USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 413 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 34 CYS SG : rot 165:sc= -0.57! USER MOD Set 1.2: A 37 CYS SG : rot -49:sc= 0.546 USER MOD Set 1.3: A 56 HIS : no HD1:sc= -3.84! C(o=-5.3!,f=-8.6!) USER MOD Set 1.4: A 59 CYS SG : rot -160:sc= -1.45 USER MOD Set 2.1: A 8 CYS SG : rot 8:sc= 1.06 USER MOD Set 2.2: A 11 CYS SG : rot -58:sc= -0.839 USER MOD Set 2.3: A 28 HIS : +bothHN:sc= -2.96! C(o=-4.1!,f=-8.3!) USER MOD Set 2.4: A 31 CYS SG : rot -173:sc= -1.41 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 42:sc= 0.845 USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= 1.24 (180deg=0.599) USER MOD Single : A 26 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.6) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 40 MET CE :methyl -175:sc= -0.518 (180deg=-0.627) USER MOD Single : A 47 MET CE :methyl -116:sc= -0.448 (180deg=-2.26!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc=-0.000212 X(o=-0.00021,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 7.393 13.295 4.442 1.00 0.00 N ATOM 60 CA GLY A 7 7.744 12.501 3.280 1.00 0.00 C ATOM 61 C GLY A 7 7.103 11.127 3.301 1.00 0.00 C ATOM 62 O GLY A 7 5.886 11.004 3.443 1.00 0.00 O ATOM 0 HA2 GLY A 7 7.436 13.028 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.828 12.392 3.232 1.00 0.00 H new ATOM 66 N CYS A 8 7.922 10.091 3.158 1.00 0.00 N ATOM 67 CA CYS A 8 7.429 8.719 3.160 1.00 0.00 C ATOM 68 C CYS A 8 6.770 8.379 4.493 1.00 0.00 C ATOM 69 O CYS A 8 7.109 8.953 5.529 1.00 0.00 O ATOM 70 CB CYS A 8 8.573 7.743 2.880 1.00 0.00 C ATOM 71 SG CYS A 8 8.029 6.042 2.522 1.00 0.00 S ATOM 0 H CYS A 8 8.932 10.176 3.039 1.00 0.00 H new ATOM 0 HA CYS A 8 6.681 8.627 2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.153 8.113 2.035 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.241 7.726 3.741 1.00 0.00 H new ATOM 0 HG CYS A 8 6.734 6.015 2.409 1.00 0.00 H new ATOM 76 N ASP A 9 5.828 7.444 4.460 1.00 0.00 N ATOM 77 CA ASP A 9 5.122 7.026 5.665 1.00 0.00 C ATOM 78 C ASP A 9 5.301 5.531 5.909 1.00 0.00 C ATOM 79 O ASP A 9 4.451 4.885 6.523 1.00 0.00 O ATOM 80 CB ASP A 9 3.634 7.362 5.553 1.00 0.00 C ATOM 81 CG ASP A 9 2.865 7.012 6.812 1.00 0.00 C ATOM 82 OD1 ASP A 9 2.961 7.774 7.796 1.00 0.00 O ATOM 83 OD2 ASP A 9 2.168 5.975 6.813 1.00 0.00 O ATOM 0 H ASP A 9 5.535 6.960 3.611 1.00 0.00 H new ATOM 0 HA ASP A 9 5.546 7.567 6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.519 8.426 5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.206 6.824 4.708 1.00 0.00 H new ATOM 88 N SER A 10 6.413 4.986 5.424 1.00 0.00 N ATOM 89 CA SER A 10 6.702 3.566 5.585 1.00 0.00 C ATOM 90 C SER A 10 8.134 3.354 6.067 1.00 0.00 C ATOM 91 O SER A 10 8.402 2.475 6.886 1.00 0.00 O ATOM 92 CB SER A 10 6.481 2.826 4.265 1.00 0.00 C ATOM 93 OG SER A 10 6.375 1.428 4.475 1.00 0.00 O ATOM 0 H SER A 10 7.128 5.507 4.916 1.00 0.00 H new ATOM 0 HA SER A 10 6.021 3.165 6.336 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.574 3.195 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.308 3.033 3.586 1.00 0.00 H new ATOM 0 HG SER A 10 6.233 0.978 3.616 1.00 0.00 H new ATOM 99 N CYS A 11 9.050 4.167 5.552 1.00 0.00 N ATOM 100 CA CYS A 11 10.456 4.071 5.927 1.00 0.00 C ATOM 101 C CYS A 11 10.907 5.324 6.672 1.00 0.00 C ATOM 102 O CYS A 11 12.049 5.413 7.122 1.00 0.00 O ATOM 103 CB CYS A 11 11.324 3.861 4.685 1.00 0.00 C ATOM 104 SG CYS A 11 11.357 5.288 3.552 1.00 0.00 S ATOM 0 H CYS A 11 8.844 4.900 4.873 1.00 0.00 H new ATOM 0 HA CYS A 11 10.572 3.214 6.591 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.343 3.637 5.000 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.959 2.988 4.143 1.00 0.00 H new ATOM 0 HG CYS A 11 10.146 5.568 3.171 1.00 0.00 H new ATOM 109 N GLU A 12 10.002 6.290 6.796 1.00 0.00 N ATOM 110 CA GLU A 12 10.309 7.538 7.485 1.00 0.00 C ATOM 111 C GLU A 12 11.471 8.261 6.811 1.00 0.00 C ATOM 112 O GLU A 12 12.417 8.691 7.471 1.00 0.00 O ATOM 113 CB GLU A 12 10.645 7.267 8.953 1.00 0.00 C ATOM 114 CG GLU A 12 9.529 6.573 9.716 1.00 0.00 C ATOM 115 CD GLU A 12 9.185 7.275 11.015 1.00 0.00 C ATOM 116 OE1 GLU A 12 9.110 8.521 11.015 1.00 0.00 O ATOM 117 OE2 GLU A 12 8.991 6.577 12.032 1.00 0.00 O ATOM 0 H GLU A 12 9.052 6.233 6.429 1.00 0.00 H new ATOM 0 HA GLU A 12 9.428 8.177 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.544 6.653 9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.876 8.212 9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.640 6.525 9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.825 5.546 9.930 1.00 0.00 H new ATOM 124 N LYS A 13 11.393 8.390 5.491 1.00 0.00 N ATOM 125 CA LYS A 13 12.437 9.061 4.725 1.00 0.00 C ATOM 126 C LYS A 13 11.831 9.957 3.649 1.00 0.00 C ATOM 127 O LYS A 13 10.808 9.622 3.051 1.00 0.00 O ATOM 128 CB LYS A 13 13.367 8.031 4.081 1.00 0.00 C ATOM 129 CG LYS A 13 13.978 7.058 5.074 1.00 0.00 C ATOM 130 CD LYS A 13 15.452 6.821 4.789 1.00 0.00 C ATOM 131 CE LYS A 13 16.063 5.849 5.786 1.00 0.00 C ATOM 132 NZ LYS A 13 16.573 4.619 5.120 1.00 0.00 N ATOM 0 H LYS A 13 10.618 8.039 4.929 1.00 0.00 H new ATOM 0 HA LYS A 13 13.013 9.683 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.810 7.470 3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.168 8.554 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.860 7.447 6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.442 6.110 5.033 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.570 6.430 3.779 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.988 7.769 4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.879 6.339 6.318 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.316 5.575 6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.982 3.982 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.790 4.137 4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.304 4.877 4.427 1.00 0.00 H new ATOM 146 N TYR A 14 12.469 11.097 3.407 1.00 0.00 N ATOM 147 CA TYR A 14 11.992 12.042 2.404 1.00 0.00 C ATOM 148 C TYR A 14 11.899 11.379 1.033 1.00 0.00 C ATOM 149 O TYR A 14 12.585 10.393 0.760 1.00 0.00 O ATOM 150 CB TYR A 14 12.921 13.256 2.334 1.00 0.00 C ATOM 151 CG TYR A 14 12.287 14.466 1.686 1.00 0.00 C ATOM 152 CD1 TYR A 14 11.241 15.141 2.304 1.00 0.00 C ATOM 153 CD2 TYR A 14 12.733 14.934 0.457 1.00 0.00 C ATOM 154 CE1 TYR A 14 10.659 16.247 1.715 1.00 0.00 C ATOM 155 CE2 TYR A 14 12.158 16.039 -0.139 1.00 0.00 C ATOM 156 CZ TYR A 14 11.121 16.693 0.495 1.00 0.00 C ATOM 157 OH TYR A 14 10.544 17.794 -0.096 1.00 0.00 O ATOM 0 H TYR A 14 13.318 11.389 3.892 1.00 0.00 H new ATOM 0 HA TYR A 14 10.995 12.372 2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.238 13.519 3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.819 12.985 1.778 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.877 14.795 3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 14 13.544 14.425 -0.042 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.846 16.760 2.208 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.517 16.389 -1.095 1.00 0.00 H new ATOM 0 HH TYR A 14 10.987 17.976 -0.951 1.00 0.00 H new ATOM 167 N ILE A 15 11.047 11.929 0.174 1.00 0.00 N ATOM 168 CA ILE A 15 10.865 11.394 -1.169 1.00 0.00 C ATOM 169 C ILE A 15 11.267 12.416 -2.227 1.00 0.00 C ATOM 170 O ILE A 15 10.624 13.456 -2.379 1.00 0.00 O ATOM 171 CB ILE A 15 9.405 10.967 -1.412 1.00 0.00 C ATOM 172 CG1 ILE A 15 8.867 10.201 -0.202 1.00 0.00 C ATOM 173 CG2 ILE A 15 9.304 10.119 -2.671 1.00 0.00 C ATOM 174 CD1 ILE A 15 7.363 10.036 -0.211 1.00 0.00 C ATOM 0 H ILE A 15 10.472 12.745 0.385 1.00 0.00 H new ATOM 0 HA ILE A 15 11.509 10.518 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 15 8.798 11.862 -1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.332 9.216 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.162 10.723 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.266 9.825 -2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.652 10.696 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.921 9.227 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.052 9.484 0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.889 11.018 -0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.063 9.487 -1.104 1.00 0.00 H new ATOM 186 N THR A 16 12.334 12.113 -2.960 1.00 0.00 N ATOM 187 CA THR A 16 12.822 13.004 -4.005 1.00 0.00 C ATOM 188 C THR A 16 12.142 12.712 -5.338 1.00 0.00 C ATOM 189 O THR A 16 12.503 11.766 -6.036 1.00 0.00 O ATOM 190 CB THR A 16 14.347 12.881 -4.182 1.00 0.00 C ATOM 191 OG1 THR A 16 14.695 11.529 -4.503 1.00 0.00 O ATOM 192 CG2 THR A 16 15.075 13.310 -2.917 1.00 0.00 C ATOM 0 H THR A 16 12.877 11.257 -2.849 1.00 0.00 H new ATOM 0 HA THR A 16 12.581 14.020 -3.692 1.00 0.00 H new ATOM 0 HB THR A 16 14.650 13.538 -4.997 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.054 11.172 -5.153 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.151 13.214 -3.066 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.831 14.348 -2.691 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.766 12.675 -2.086 1.00 0.00 H new ATOM 200 N GLY A 17 11.155 13.533 -5.686 1.00 0.00 N ATOM 201 CA GLY A 17 10.441 13.346 -6.935 1.00 0.00 C ATOM 202 C GLY A 17 8.985 12.980 -6.722 1.00 0.00 C ATOM 203 O GLY A 17 8.370 13.400 -5.741 1.00 0.00 O ATOM 0 H GLY A 17 10.838 14.324 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.500 14.261 -7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.928 12.562 -7.515 1.00 0.00 H new ATOM 207 N ARG A 18 8.433 12.198 -7.643 1.00 0.00 N ATOM 208 CA ARG A 18 7.039 11.778 -7.552 1.00 0.00 C ATOM 209 C ARG A 18 6.818 10.888 -6.332 1.00 0.00 C ATOM 210 O ARG A 18 7.685 10.097 -5.962 1.00 0.00 O ATOM 211 CB ARG A 18 6.625 11.033 -8.822 1.00 0.00 C ATOM 212 CG ARG A 18 7.144 9.606 -8.888 1.00 0.00 C ATOM 213 CD ARG A 18 6.341 8.766 -9.869 1.00 0.00 C ATOM 214 NE ARG A 18 6.837 7.395 -9.949 1.00 0.00 N ATOM 215 CZ ARG A 18 6.651 6.606 -11.001 1.00 0.00 C ATOM 216 NH1 ARG A 18 5.984 7.051 -12.058 1.00 0.00 N ATOM 217 NH2 ARG A 18 7.132 5.370 -10.999 1.00 0.00 N ATOM 0 H ARG A 18 8.929 11.842 -8.460 1.00 0.00 H new ATOM 0 HA ARG A 18 6.423 12.671 -7.445 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.537 11.018 -8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.988 11.583 -9.690 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.192 9.612 -9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.097 9.154 -7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.294 8.756 -9.565 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.382 9.225 -10.857 1.00 0.00 H new ATOM 0 HE ARG A 18 7.355 7.023 -9.153 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.613 8.001 -12.064 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.842 6.443 -12.865 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.646 5.024 -10.189 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.988 4.765 -11.808 1.00 0.00 H new ATOM 231 N VAL A 19 5.650 11.023 -5.712 1.00 0.00 N ATOM 232 CA VAL A 19 5.314 10.232 -4.534 1.00 0.00 C ATOM 233 C VAL A 19 3.960 9.550 -4.699 1.00 0.00 C ATOM 234 O VAL A 19 3.032 10.119 -5.276 1.00 0.00 O ATOM 235 CB VAL A 19 5.288 11.100 -3.263 1.00 0.00 C ATOM 236 CG1 VAL A 19 6.404 12.132 -3.298 1.00 0.00 C ATOM 237 CG2 VAL A 19 3.933 11.773 -3.105 1.00 0.00 C ATOM 0 H VAL A 19 4.921 11.673 -6.006 1.00 0.00 H new ATOM 0 HA VAL A 19 6.090 9.474 -4.430 1.00 0.00 H new ATOM 0 HB VAL A 19 5.450 10.454 -2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.370 12.736 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.367 11.625 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.277 12.776 -4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.933 12.383 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.738 12.407 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.156 11.013 -3.030 1.00 0.00 H new ATOM 247 N LEU A 20 3.853 8.329 -4.187 1.00 0.00 N ATOM 248 CA LEU A 20 2.611 7.568 -4.277 1.00 0.00 C ATOM 249 C LEU A 20 1.618 8.021 -3.211 1.00 0.00 C ATOM 250 O LEU A 20 1.811 7.768 -2.022 1.00 0.00 O ATOM 251 CB LEU A 20 2.894 6.073 -4.124 1.00 0.00 C ATOM 252 CG LEU A 20 3.417 5.358 -5.371 1.00 0.00 C ATOM 253 CD1 LEU A 20 4.186 4.105 -4.984 1.00 0.00 C ATOM 254 CD2 LEU A 20 2.269 5.014 -6.309 1.00 0.00 C ATOM 0 H LEU A 20 4.611 7.845 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 20 2.172 7.750 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.621 5.941 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.975 5.580 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 20 4.098 6.030 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.551 3.609 -5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.031 4.378 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.528 3.428 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.659 4.506 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.563 4.360 -5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.761 5.929 -6.613 1.00 0.00 H new ATOM 266 N GLU A 21 0.554 8.688 -3.646 1.00 0.00 N ATOM 267 CA GLU A 21 -0.470 9.174 -2.729 1.00 0.00 C ATOM 268 C GLU A 21 -1.615 8.171 -2.611 1.00 0.00 C ATOM 269 O GLU A 21 -2.219 7.783 -3.610 1.00 0.00 O ATOM 270 CB GLU A 21 -1.009 10.526 -3.201 1.00 0.00 C ATOM 271 CG GLU A 21 -1.839 10.441 -4.471 1.00 0.00 C ATOM 272 CD GLU A 21 -3.294 10.113 -4.196 1.00 0.00 C ATOM 273 OE1 GLU A 21 -3.866 10.700 -3.254 1.00 0.00 O ATOM 274 OE2 GLU A 21 -3.860 9.270 -4.923 1.00 0.00 O ATOM 0 H GLU A 21 0.379 8.904 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.013 9.296 -1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.617 10.962 -2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.171 11.203 -3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.779 11.390 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.416 9.680 -5.127 1.00 0.00 H new ATOM 281 N ALA A 22 -1.905 7.757 -1.382 1.00 0.00 N ATOM 282 CA ALA A 22 -2.977 6.801 -1.132 1.00 0.00 C ATOM 283 C ALA A 22 -3.886 7.278 -0.004 1.00 0.00 C ATOM 284 O ALA A 22 -3.617 7.031 1.170 1.00 0.00 O ATOM 285 CB ALA A 22 -2.398 5.433 -0.803 1.00 0.00 C ATOM 0 H ALA A 22 -1.413 8.068 -0.544 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.578 6.721 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.210 4.729 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.796 5.081 -1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.773 5.507 0.087 1.00 0.00 H new ATOM 291 N GLY A 23 -4.965 7.964 -0.370 1.00 0.00 N ATOM 292 CA GLY A 23 -5.897 8.466 0.623 1.00 0.00 C ATOM 293 C GLY A 23 -5.507 9.835 1.144 1.00 0.00 C ATOM 294 O GLY A 23 -6.100 10.843 0.760 1.00 0.00 O ATOM 0 H GLY A 23 -5.210 8.181 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.895 8.517 0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.948 7.765 1.456 1.00 0.00 H new ATOM 298 N GLU A 24 -4.509 9.872 2.021 1.00 0.00 N ATOM 299 CA GLU A 24 -4.044 11.128 2.596 1.00 0.00 C ATOM 300 C GLU A 24 -2.595 11.011 3.059 1.00 0.00 C ATOM 301 O GLU A 24 -2.150 11.749 3.939 1.00 0.00 O ATOM 302 CB GLU A 24 -4.935 11.537 3.772 1.00 0.00 C ATOM 303 CG GLU A 24 -5.058 10.466 4.843 1.00 0.00 C ATOM 304 CD GLU A 24 -6.486 10.276 5.315 1.00 0.00 C ATOM 305 OE1 GLU A 24 -7.169 11.291 5.564 1.00 0.00 O ATOM 306 OE2 GLU A 24 -6.921 9.112 5.437 1.00 0.00 O ATOM 0 H GLU A 24 -4.007 9.047 2.349 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.100 11.894 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.534 12.445 4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.929 11.780 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.679 9.521 4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.431 10.734 5.693 1.00 0.00 H new ATOM 313 N LYS A 25 -1.862 10.078 2.460 1.00 0.00 N ATOM 314 CA LYS A 25 -0.463 9.863 2.808 1.00 0.00 C ATOM 315 C LYS A 25 0.398 9.747 1.555 1.00 0.00 C ATOM 316 O LYS A 25 -0.117 9.721 0.436 1.00 0.00 O ATOM 317 CB LYS A 25 -0.316 8.600 3.660 1.00 0.00 C ATOM 318 CG LYS A 25 -1.022 8.686 5.002 1.00 0.00 C ATOM 319 CD LYS A 25 -0.186 8.071 6.112 1.00 0.00 C ATOM 320 CE LYS A 25 -1.052 7.313 7.106 1.00 0.00 C ATOM 321 NZ LYS A 25 -0.231 6.583 8.112 1.00 0.00 N ATOM 0 H LYS A 25 -2.215 9.458 1.731 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.122 10.724 3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.711 7.749 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.743 8.406 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.231 9.729 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.983 8.174 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.552 7.395 5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.365 8.855 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.716 8.011 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.685 6.605 6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.797 5.819 8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.607 6.178 7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.071 7.242 8.858 1.00 0.00 H new ATOM 335 N HIS A 26 1.711 9.675 1.748 1.00 0.00 N ATOM 336 CA HIS A 26 2.643 9.559 0.632 1.00 0.00 C ATOM 337 C HIS A 26 3.653 8.443 0.882 1.00 0.00 C ATOM 338 O HIS A 26 4.064 8.207 2.019 1.00 0.00 O ATOM 339 CB HIS A 26 3.374 10.883 0.410 1.00 0.00 C ATOM 340 CG HIS A 26 2.458 12.029 0.108 1.00 0.00 C ATOM 341 ND1 HIS A 26 1.543 12.009 -0.924 1.00 0.00 N ATOM 342 CD2 HIS A 26 2.319 13.234 0.709 1.00 0.00 C ATOM 343 CE1 HIS A 26 0.882 13.152 -0.945 1.00 0.00 C ATOM 344 NE2 HIS A 26 1.333 13.913 0.036 1.00 0.00 N ATOM 0 H HIS A 26 2.154 9.695 2.667 1.00 0.00 H new ATOM 0 HA HIS A 26 2.071 9.314 -0.263 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.958 11.120 1.299 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.079 10.766 -0.413 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.879 13.594 1.559 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.105 13.419 -1.645 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.003 14.852 0.258 1.00 0.00 H new ATOM 352 N TYR A 27 4.048 7.759 -0.186 1.00 0.00 N ATOM 353 CA TYR A 27 5.008 6.666 -0.082 1.00 0.00 C ATOM 354 C TYR A 27 5.964 6.665 -1.271 1.00 0.00 C ATOM 355 O TYR A 27 5.617 7.118 -2.362 1.00 0.00 O ATOM 356 CB TYR A 27 4.277 5.325 0.000 1.00 0.00 C ATOM 357 CG TYR A 27 3.190 5.290 1.050 1.00 0.00 C ATOM 358 CD1 TYR A 27 3.496 5.075 2.388 1.00 0.00 C ATOM 359 CD2 TYR A 27 1.856 5.472 0.704 1.00 0.00 C ATOM 360 CE1 TYR A 27 2.506 5.042 3.351 1.00 0.00 C ATOM 361 CE2 TYR A 27 0.860 5.442 1.660 1.00 0.00 C ATOM 362 CZ TYR A 27 1.190 5.226 2.982 1.00 0.00 C ATOM 363 OH TYR A 27 0.200 5.194 3.938 1.00 0.00 O ATOM 0 H TYR A 27 3.718 7.942 -1.134 1.00 0.00 H new ATOM 0 HA TYR A 27 5.590 6.812 0.828 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.838 5.100 -0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.001 4.539 0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.526 4.931 2.680 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.594 5.640 -0.330 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.761 4.873 4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.171 5.587 1.374 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.670 5.342 3.513 1.00 0.00 H new ATOM 373 N HIS A 28 7.171 6.153 -1.051 1.00 0.00 N ATOM 374 CA HIS A 28 8.179 6.092 -2.103 1.00 0.00 C ATOM 375 C HIS A 28 7.679 5.268 -3.286 1.00 0.00 C ATOM 376 O HIS A 28 6.746 4.474 -3.171 1.00 0.00 O ATOM 377 CB HIS A 28 9.477 5.492 -1.561 1.00 0.00 C ATOM 378 CG HIS A 28 10.387 6.502 -0.933 1.00 0.00 C ATOM 379 ND1 HIS A 28 10.613 6.568 0.426 1.00 0.00 N ATOM 380 CD2 HIS A 28 11.130 7.488 -1.486 1.00 0.00 C ATOM 381 CE1 HIS A 28 11.456 7.553 0.682 1.00 0.00 C ATOM 382 NE2 HIS A 28 11.785 8.127 -0.462 1.00 0.00 N ATOM 0 H HIS A 28 7.474 5.775 -0.154 1.00 0.00 H new ATOM 0 HA HIS A 28 8.373 7.108 -2.446 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.234 4.726 -0.824 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.005 4.995 -2.375 1.00 0.00 H new ATOM 0 HD1 HIS A 28 10.195 5.953 1.124 1.00 0.00 H new ATOM 0 HD2 HIS A 28 11.196 7.728 -2.537 1.00 0.00 H new ATOM 0 HE1 HIS A 28 11.815 7.840 1.659 1.00 0.00 H new ATOM 0 HE2 HIS A 28 12.422 8.917 -0.567 1.00 0.00 H new ATOM 390 N PRO A 29 8.313 5.461 -4.452 1.00 0.00 N ATOM 391 CA PRO A 29 7.950 4.746 -5.679 1.00 0.00 C ATOM 392 C PRO A 29 8.311 3.266 -5.616 1.00 0.00 C ATOM 393 O PRO A 29 8.129 2.531 -6.586 1.00 0.00 O ATOM 394 CB PRO A 29 8.774 5.452 -6.759 1.00 0.00 C ATOM 395 CG PRO A 29 9.940 6.026 -6.030 1.00 0.00 C ATOM 396 CD PRO A 29 9.434 6.393 -4.663 1.00 0.00 C ATOM 0 HA PRO A 29 6.876 4.769 -5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.095 4.754 -7.532 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.194 6.231 -7.254 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.753 5.303 -5.964 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.332 6.901 -6.549 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.206 6.272 -3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.106 7.432 -4.621 1.00 0.00 H new ATOM 404 N SER A 30 8.823 2.835 -4.467 1.00 0.00 N ATOM 405 CA SER A 30 9.213 1.443 -4.279 1.00 0.00 C ATOM 406 C SER A 30 8.663 0.898 -2.964 1.00 0.00 C ATOM 407 O SER A 30 8.341 -0.285 -2.854 1.00 0.00 O ATOM 408 CB SER A 30 10.737 1.310 -4.302 1.00 0.00 C ATOM 409 OG SER A 30 11.188 0.839 -5.560 1.00 0.00 O ATOM 0 H SER A 30 8.977 3.430 -3.653 1.00 0.00 H new ATOM 0 HA SER A 30 8.793 0.860 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.193 2.276 -4.087 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.057 0.625 -3.517 1.00 0.00 H new ATOM 0 HG SER A 30 12.165 0.764 -5.550 1.00 0.00 H new ATOM 415 N CYS A 31 8.560 1.770 -1.966 1.00 0.00 N ATOM 416 CA CYS A 31 8.051 1.380 -0.658 1.00 0.00 C ATOM 417 C CYS A 31 6.606 0.897 -0.758 1.00 0.00 C ATOM 418 O CYS A 31 6.204 -0.037 -0.065 1.00 0.00 O ATOM 419 CB CYS A 31 8.141 2.554 0.319 1.00 0.00 C ATOM 420 SG CYS A 31 9.830 2.907 0.903 1.00 0.00 S ATOM 0 H CYS A 31 8.823 2.753 -2.040 1.00 0.00 H new ATOM 0 HA CYS A 31 8.665 0.560 -0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.741 3.446 -0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.506 2.346 1.180 1.00 0.00 H new ATOM 0 HG CYS A 31 9.787 3.817 1.830 1.00 0.00 H new ATOM 425 N ALA A 32 5.832 1.541 -1.625 1.00 0.00 N ATOM 426 CA ALA A 32 4.434 1.177 -1.818 1.00 0.00 C ATOM 427 C ALA A 32 4.283 0.155 -2.940 1.00 0.00 C ATOM 428 O ALA A 32 4.450 0.480 -4.116 1.00 0.00 O ATOM 429 CB ALA A 32 3.602 2.415 -2.114 1.00 0.00 C ATOM 0 H ALA A 32 6.150 2.318 -2.205 1.00 0.00 H new ATOM 0 HA ALA A 32 4.072 0.722 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.560 2.128 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.676 3.111 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.973 2.894 -3.020 1.00 0.00 H new ATOM 435 N LEU A 33 3.966 -1.081 -2.570 1.00 0.00 N ATOM 436 CA LEU A 33 3.792 -2.151 -3.546 1.00 0.00 C ATOM 437 C LEU A 33 2.470 -2.879 -3.327 1.00 0.00 C ATOM 438 O LEU A 33 2.095 -3.180 -2.193 1.00 0.00 O ATOM 439 CB LEU A 33 4.954 -3.142 -3.457 1.00 0.00 C ATOM 440 CG LEU A 33 6.357 -2.544 -3.566 1.00 0.00 C ATOM 441 CD1 LEU A 33 7.413 -3.621 -3.376 1.00 0.00 C ATOM 442 CD2 LEU A 33 6.537 -1.849 -4.908 1.00 0.00 C ATOM 0 H LEU A 33 3.824 -1.367 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 33 3.778 -1.704 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.880 -3.673 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.834 -3.883 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 33 6.478 -1.803 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.405 -3.176 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.298 -4.074 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.295 -4.386 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.541 -1.429 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.396 -2.570 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.803 -1.049 -5.005 1.00 0.00 H new ATOM 454 N CYS A 34 1.768 -3.161 -4.419 1.00 0.00 N ATOM 455 CA CYS A 34 0.488 -3.855 -4.347 1.00 0.00 C ATOM 456 C CYS A 34 0.604 -5.126 -3.510 1.00 0.00 C ATOM 457 O CYS A 34 1.111 -6.146 -3.977 1.00 0.00 O ATOM 458 CB CYS A 34 -0.008 -4.201 -5.753 1.00 0.00 C ATOM 459 SG CYS A 34 -1.400 -5.376 -5.783 1.00 0.00 S ATOM 0 H CYS A 34 2.064 -2.920 -5.365 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.231 -3.190 -3.868 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.311 -3.283 -6.256 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.819 -4.620 -6.326 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.953 -5.364 -6.959 1.00 0.00 H new ATOM 464 N VAL A 35 0.131 -5.056 -2.270 1.00 0.00 N ATOM 465 CA VAL A 35 0.180 -6.200 -1.368 1.00 0.00 C ATOM 466 C VAL A 35 -0.076 -7.502 -2.117 1.00 0.00 C ATOM 467 O VAL A 35 0.605 -8.503 -1.893 1.00 0.00 O ATOM 468 CB VAL A 35 -0.851 -6.063 -0.231 1.00 0.00 C ATOM 469 CG1 VAL A 35 -0.649 -4.756 0.519 1.00 0.00 C ATOM 470 CG2 VAL A 35 -2.266 -6.158 -0.782 1.00 0.00 C ATOM 0 H VAL A 35 -0.290 -4.219 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 35 1.182 -6.222 -0.939 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.703 -6.883 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.386 -4.677 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.353 -4.733 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.769 -3.919 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.982 -6.059 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.429 -5.360 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.403 -7.123 -1.270 1.00 0.00 H new ATOM 480 N ARG A 36 -1.062 -7.482 -3.008 1.00 0.00 N ATOM 481 CA ARG A 36 -1.409 -8.662 -3.791 1.00 0.00 C ATOM 482 C ARG A 36 -0.202 -9.166 -4.578 1.00 0.00 C ATOM 483 O ARG A 36 0.388 -10.193 -4.240 1.00 0.00 O ATOM 484 CB ARG A 36 -2.559 -8.346 -4.748 1.00 0.00 C ATOM 485 CG ARG A 36 -3.271 -9.581 -5.274 1.00 0.00 C ATOM 486 CD ARG A 36 -4.724 -9.620 -4.825 1.00 0.00 C ATOM 487 NE ARG A 36 -5.174 -10.981 -4.547 1.00 0.00 N ATOM 488 CZ ARG A 36 -5.340 -11.907 -5.485 1.00 0.00 C ATOM 489 NH1 ARG A 36 -5.093 -11.619 -6.755 1.00 0.00 N ATOM 490 NH2 ARG A 36 -5.753 -13.124 -5.153 1.00 0.00 N ATOM 0 H ARG A 36 -1.635 -6.661 -3.206 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.725 -9.445 -3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.282 -7.711 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.172 -7.774 -5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.225 -9.593 -6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.757 -10.476 -4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.844 -9.009 -3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.354 -9.180 -5.598 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.372 -11.235 -3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.775 -10.685 -7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.221 -12.331 -7.474 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.943 -13.349 -4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.880 -13.834 -5.874 1.00 0.00 H new ATOM 504 N CYS A 37 0.158 -8.438 -5.629 1.00 0.00 N ATOM 505 CA CYS A 37 1.293 -8.811 -6.465 1.00 0.00 C ATOM 506 C CYS A 37 2.554 -8.069 -6.032 1.00 0.00 C ATOM 507 O CYS A 37 3.615 -8.670 -5.867 1.00 0.00 O ATOM 508 CB CYS A 37 0.991 -8.510 -7.934 1.00 0.00 C ATOM 509 SG CYS A 37 0.739 -6.743 -8.296 1.00 0.00 S ATOM 0 H CYS A 37 -0.320 -7.586 -5.922 1.00 0.00 H new ATOM 0 HA CYS A 37 1.463 -9.881 -6.347 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.813 -8.881 -8.546 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.099 -9.061 -8.230 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.105 -6.242 -7.444 1.00 0.00 H new ATOM 514 N GLY A 38 2.430 -6.758 -5.850 1.00 0.00 N ATOM 515 CA GLY A 38 3.567 -5.955 -5.437 1.00 0.00 C ATOM 516 C GLY A 38 4.259 -5.285 -6.608 1.00 0.00 C ATOM 517 O GLY A 38 5.478 -5.117 -6.602 1.00 0.00 O ATOM 0 H GLY A 38 1.563 -6.237 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.233 -5.194 -4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.282 -6.587 -4.909 1.00 0.00 H new ATOM 521 N GLN A 39 3.479 -4.904 -7.615 1.00 0.00 N ATOM 522 CA GLN A 39 4.026 -4.252 -8.799 1.00 0.00 C ATOM 523 C GLN A 39 3.922 -2.735 -8.680 1.00 0.00 C ATOM 524 O GLN A 39 2.867 -2.199 -8.343 1.00 0.00 O ATOM 525 CB GLN A 39 3.293 -4.728 -10.054 1.00 0.00 C ATOM 526 CG GLN A 39 3.670 -6.138 -10.480 1.00 0.00 C ATOM 527 CD GLN A 39 5.115 -6.246 -10.924 1.00 0.00 C ATOM 528 OE1 GLN A 39 5.518 -5.644 -11.919 1.00 0.00 O ATOM 529 NE2 GLN A 39 5.905 -7.018 -10.185 1.00 0.00 N ATOM 0 H GLN A 39 2.468 -5.035 -7.634 1.00 0.00 H new ATOM 0 HA GLN A 39 5.079 -4.522 -8.878 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.219 -4.686 -9.875 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.507 -4.041 -10.872 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.497 -6.823 -9.650 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.019 -6.454 -11.295 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.529 -7.499 -9.368 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.888 -7.130 -10.435 1.00 0.00 H new ATOM 538 N MET A 40 5.025 -2.048 -8.960 1.00 0.00 N ATOM 539 CA MET A 40 5.058 -0.592 -8.886 1.00 0.00 C ATOM 540 C MET A 40 3.943 0.021 -9.729 1.00 0.00 C ATOM 541 O MET A 40 3.388 -0.634 -10.611 1.00 0.00 O ATOM 542 CB MET A 40 6.416 -0.066 -9.355 1.00 0.00 C ATOM 543 CG MET A 40 7.515 -0.208 -8.314 1.00 0.00 C ATOM 544 SD MET A 40 8.778 -1.400 -8.797 1.00 0.00 S ATOM 545 CE MET A 40 8.900 -2.386 -7.306 1.00 0.00 C ATOM 0 H MET A 40 5.907 -2.476 -9.240 1.00 0.00 H new ATOM 0 HA MET A 40 4.904 -0.303 -7.846 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.711 -0.600 -10.258 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.316 0.985 -9.625 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.982 0.763 -8.149 1.00 0.00 H new ATOM 0 HG3 MET A 40 7.074 -0.515 -7.366 1.00 0.00 H new ATOM 0 HE1 MET A 40 9.705 -3.112 -7.415 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.110 -1.736 -6.456 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.959 -2.910 -7.138 1.00 0.00 H new ATOM 555 N PHE A 41 3.621 1.280 -9.451 1.00 0.00 N ATOM 556 CA PHE A 41 2.573 1.980 -10.183 1.00 0.00 C ATOM 557 C PHE A 41 3.133 3.208 -10.896 1.00 0.00 C ATOM 558 O PHE A 41 4.346 3.404 -10.954 1.00 0.00 O ATOM 559 CB PHE A 41 1.449 2.397 -9.232 1.00 0.00 C ATOM 560 CG PHE A 41 1.074 1.331 -8.243 1.00 0.00 C ATOM 561 CD1 PHE A 41 1.925 1.003 -7.201 1.00 0.00 C ATOM 562 CD2 PHE A 41 -0.131 0.655 -8.357 1.00 0.00 C ATOM 563 CE1 PHE A 41 1.583 0.022 -6.289 1.00 0.00 C ATOM 564 CE2 PHE A 41 -0.479 -0.326 -7.448 1.00 0.00 C ATOM 565 CZ PHE A 41 0.380 -0.644 -6.413 1.00 0.00 C ATOM 0 H PHE A 41 4.071 1.836 -8.724 1.00 0.00 H new ATOM 0 HA PHE A 41 2.172 1.298 -10.933 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.755 3.292 -8.691 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.569 2.664 -9.817 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.868 1.520 -7.100 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.805 0.898 -9.165 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.256 -0.223 -5.481 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.422 -0.844 -7.546 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.111 -1.412 -5.703 1.00 0.00 H new ATOM 575 N ALA A 42 2.240 4.030 -11.436 1.00 0.00 N ATOM 576 CA ALA A 42 2.644 5.238 -12.144 1.00 0.00 C ATOM 577 C ALA A 42 2.538 6.463 -11.242 1.00 0.00 C ATOM 578 O ALA A 42 2.440 6.340 -10.021 1.00 0.00 O ATOM 579 CB ALA A 42 1.797 5.427 -13.394 1.00 0.00 C ATOM 0 H ALA A 42 1.232 3.881 -11.397 1.00 0.00 H new ATOM 0 HA ALA A 42 3.687 5.124 -12.439 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.110 6.333 -13.912 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.925 4.569 -14.054 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.748 5.514 -13.113 1.00 0.00 H new ATOM 585 N GLU A 43 2.561 7.645 -11.851 1.00 0.00 N ATOM 586 CA GLU A 43 2.469 8.892 -11.101 1.00 0.00 C ATOM 587 C GLU A 43 1.060 9.471 -11.178 1.00 0.00 C ATOM 588 O GLU A 43 0.880 10.684 -11.279 1.00 0.00 O ATOM 589 CB GLU A 43 3.481 9.909 -11.634 1.00 0.00 C ATOM 590 CG GLU A 43 3.121 10.466 -13.001 1.00 0.00 C ATOM 591 CD GLU A 43 3.558 11.907 -13.178 1.00 0.00 C ATOM 592 OE1 GLU A 43 3.740 12.601 -12.155 1.00 0.00 O ATOM 593 OE2 GLU A 43 3.719 12.341 -14.338 1.00 0.00 O ATOM 0 H GLU A 43 2.642 7.765 -12.861 1.00 0.00 H new ATOM 0 HA GLU A 43 2.697 8.676 -10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.563 10.733 -10.925 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.462 9.438 -11.690 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.585 9.852 -13.773 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.043 10.397 -13.145 1.00 0.00 H new ATOM 600 N GLY A 44 0.062 8.594 -11.130 1.00 0.00 N ATOM 601 CA GLY A 44 -1.319 9.036 -11.197 1.00 0.00 C ATOM 602 C GLY A 44 -2.271 7.912 -11.556 1.00 0.00 C ATOM 603 O GLY A 44 -3.171 8.091 -12.375 1.00 0.00 O ATOM 0 H GLY A 44 0.185 7.585 -11.046 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.609 9.460 -10.236 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.407 9.832 -11.936 1.00 0.00 H new ATOM 607 N GLU A 45 -2.070 6.750 -10.942 1.00 0.00 N ATOM 608 CA GLU A 45 -2.917 5.592 -11.205 1.00 0.00 C ATOM 609 C GLU A 45 -4.079 5.533 -10.217 1.00 0.00 C ATOM 610 O GLU A 45 -3.938 5.912 -9.055 1.00 0.00 O ATOM 611 CB GLU A 45 -2.097 4.303 -11.122 1.00 0.00 C ATOM 612 CG GLU A 45 -1.241 4.047 -12.351 1.00 0.00 C ATOM 613 CD GLU A 45 -2.023 4.174 -13.644 1.00 0.00 C ATOM 614 OE1 GLU A 45 -2.931 3.347 -13.871 1.00 0.00 O ATOM 615 OE2 GLU A 45 -1.728 5.100 -14.428 1.00 0.00 O ATOM 0 H GLU A 45 -1.329 6.586 -10.260 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.323 5.692 -12.212 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.453 4.348 -10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.773 3.460 -10.979 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.409 4.752 -12.363 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.811 3.047 -12.288 1.00 0.00 H new ATOM 622 N GLU A 46 -5.226 5.055 -10.690 1.00 0.00 N ATOM 623 CA GLU A 46 -6.412 4.948 -9.848 1.00 0.00 C ATOM 624 C GLU A 46 -6.665 3.498 -9.446 1.00 0.00 C ATOM 625 O GLU A 46 -6.868 2.633 -10.297 1.00 0.00 O ATOM 626 CB GLU A 46 -7.635 5.506 -10.579 1.00 0.00 C ATOM 627 CG GLU A 46 -7.564 7.003 -10.830 1.00 0.00 C ATOM 628 CD GLU A 46 -6.971 7.341 -12.184 1.00 0.00 C ATOM 629 OE1 GLU A 46 -7.252 6.608 -13.155 1.00 0.00 O ATOM 630 OE2 GLU A 46 -6.225 8.339 -12.272 1.00 0.00 O ATOM 0 H GLU A 46 -5.359 4.736 -11.650 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.239 5.533 -8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.743 4.991 -11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.529 5.286 -9.995 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.566 7.427 -10.760 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.965 7.470 -10.048 1.00 0.00 H new ATOM 637 N MET A 47 -6.649 3.241 -8.142 1.00 0.00 N ATOM 638 CA MET A 47 -6.876 1.896 -7.626 1.00 0.00 C ATOM 639 C MET A 47 -7.626 1.942 -6.299 1.00 0.00 C ATOM 640 O MET A 47 -7.701 2.988 -5.654 1.00 0.00 O ATOM 641 CB MET A 47 -5.545 1.163 -7.448 1.00 0.00 C ATOM 642 CG MET A 47 -4.629 1.807 -6.421 1.00 0.00 C ATOM 643 SD MET A 47 -3.896 3.345 -7.012 1.00 0.00 S ATOM 644 CE MET A 47 -2.152 2.952 -6.902 1.00 0.00 C ATOM 0 H MET A 47 -6.481 3.946 -7.424 1.00 0.00 H new ATOM 0 HA MET A 47 -7.486 1.355 -8.349 1.00 0.00 H new ATOM 0 HB2 MET A 47 -5.744 0.133 -7.150 1.00 0.00 H new ATOM 0 HB3 MET A 47 -5.030 1.124 -8.408 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.193 2.005 -5.510 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.835 1.108 -6.159 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.677 3.606 -6.170 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.032 1.914 -6.593 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.684 3.097 -7.876 1.00 0.00 H new ATOM 654 N TYR A 48 -8.180 0.804 -5.897 1.00 0.00 N ATOM 655 CA TYR A 48 -8.926 0.716 -4.647 1.00 0.00 C ATOM 656 C TYR A 48 -7.983 0.723 -3.448 1.00 0.00 C ATOM 657 O TYR A 48 -6.956 0.042 -3.446 1.00 0.00 O ATOM 658 CB TYR A 48 -9.783 -0.551 -4.629 1.00 0.00 C ATOM 659 CG TYR A 48 -10.658 -0.708 -5.852 1.00 0.00 C ATOM 660 CD1 TYR A 48 -10.184 -1.347 -6.991 1.00 0.00 C ATOM 661 CD2 TYR A 48 -11.957 -0.217 -5.868 1.00 0.00 C ATOM 662 CE1 TYR A 48 -10.980 -1.492 -8.111 1.00 0.00 C ATOM 663 CE2 TYR A 48 -12.760 -0.359 -6.983 1.00 0.00 C ATOM 664 CZ TYR A 48 -12.267 -0.997 -8.102 1.00 0.00 C ATOM 665 OH TYR A 48 -13.064 -1.140 -9.215 1.00 0.00 O ATOM 0 H TYR A 48 -8.127 -0.071 -6.419 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.577 1.588 -4.579 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.130 -1.420 -4.546 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.414 -0.540 -3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.177 -1.737 -7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.346 0.284 -4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.596 -1.990 -8.989 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.768 0.028 -6.979 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.941 -0.737 -9.043 1.00 0.00 H new ATOM 675 N LEU A 49 -8.339 1.497 -2.429 1.00 0.00 N ATOM 676 CA LEU A 49 -7.526 1.594 -1.221 1.00 0.00 C ATOM 677 C LEU A 49 -8.293 1.082 -0.006 1.00 0.00 C ATOM 678 O LEU A 49 -9.504 1.274 0.101 1.00 0.00 O ATOM 679 CB LEU A 49 -7.091 3.043 -0.990 1.00 0.00 C ATOM 680 CG LEU A 49 -5.749 3.446 -1.602 1.00 0.00 C ATOM 681 CD1 LEU A 49 -4.602 2.778 -0.861 1.00 0.00 C ATOM 682 CD2 LEU A 49 -5.710 3.092 -3.082 1.00 0.00 C ATOM 0 H LEU A 49 -9.185 2.067 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.641 0.973 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.862 3.701 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.046 3.221 0.084 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.636 4.526 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.655 3.077 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.619 3.082 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.709 1.695 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.748 3.386 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.845 2.017 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.509 3.619 -3.603 1.00 0.00 H new ATOM 694 N GLN A 50 -7.578 0.431 0.906 1.00 0.00 N ATOM 695 CA GLN A 50 -8.192 -0.107 2.115 1.00 0.00 C ATOM 696 C GLN A 50 -7.253 0.028 3.309 1.00 0.00 C ATOM 697 O GLN A 50 -6.144 -0.504 3.303 1.00 0.00 O ATOM 698 CB GLN A 50 -8.568 -1.576 1.910 1.00 0.00 C ATOM 699 CG GLN A 50 -10.066 -1.811 1.799 1.00 0.00 C ATOM 700 CD GLN A 50 -10.521 -3.040 2.560 1.00 0.00 C ATOM 701 OE1 GLN A 50 -10.530 -3.055 3.791 1.00 0.00 O ATOM 702 NE2 GLN A 50 -10.904 -4.081 1.829 1.00 0.00 N ATOM 0 H GLN A 50 -6.575 0.263 0.831 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.095 0.467 2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.083 -1.944 1.006 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.177 -2.162 2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.596 -0.937 2.177 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.336 -1.918 0.749 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.881 -4.025 0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.222 -4.936 2.286 1.00 0.00 H new ATOM 711 N GLY A 51 -7.706 0.746 4.333 1.00 0.00 N ATOM 712 CA GLY A 51 -6.893 0.938 5.520 1.00 0.00 C ATOM 713 C GLY A 51 -5.565 1.600 5.212 1.00 0.00 C ATOM 714 O GLY A 51 -5.414 2.811 5.374 1.00 0.00 O ATOM 0 H GLY A 51 -8.620 1.197 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.442 1.548 6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.713 -0.027 5.994 1.00 0.00 H new ATOM 718 N SER A 52 -4.598 0.804 4.767 1.00 0.00 N ATOM 719 CA SER A 52 -3.273 1.319 4.441 1.00 0.00 C ATOM 720 C SER A 52 -2.563 0.402 3.450 1.00 0.00 C ATOM 721 O SER A 52 -1.336 0.302 3.449 1.00 0.00 O ATOM 722 CB SER A 52 -2.432 1.465 5.711 1.00 0.00 C ATOM 723 OG SER A 52 -2.162 0.201 6.292 1.00 0.00 O ATOM 0 H SER A 52 -4.707 -0.200 4.624 1.00 0.00 H new ATOM 0 HA SER A 52 -3.395 2.299 3.980 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.494 1.968 5.474 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.958 2.094 6.429 1.00 0.00 H new ATOM 0 HG SER A 52 -1.622 0.321 7.101 1.00 0.00 H new ATOM 729 N SER A 53 -3.343 -0.266 2.607 1.00 0.00 N ATOM 730 CA SER A 53 -2.791 -1.178 1.613 1.00 0.00 C ATOM 731 C SER A 53 -3.261 -0.803 0.211 1.00 0.00 C ATOM 732 O SER A 53 -4.412 -0.413 0.014 1.00 0.00 O ATOM 733 CB SER A 53 -3.196 -2.619 1.930 1.00 0.00 C ATOM 734 OG SER A 53 -3.131 -2.872 3.323 1.00 0.00 O ATOM 0 H SER A 53 -4.360 -0.193 2.593 1.00 0.00 H new ATOM 0 HA SER A 53 -1.704 -1.098 1.647 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.208 -2.803 1.571 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.539 -3.310 1.401 1.00 0.00 H new ATOM 0 HG SER A 53 -3.396 -3.799 3.500 1.00 0.00 H new ATOM 740 N ILE A 54 -2.361 -0.923 -0.760 1.00 0.00 N ATOM 741 CA ILE A 54 -2.683 -0.598 -2.144 1.00 0.00 C ATOM 742 C ILE A 54 -3.135 -1.837 -2.909 1.00 0.00 C ATOM 743 O ILE A 54 -2.356 -2.767 -3.119 1.00 0.00 O ATOM 744 CB ILE A 54 -1.477 0.028 -2.870 1.00 0.00 C ATOM 745 CG1 ILE A 54 -1.051 1.323 -2.173 1.00 0.00 C ATOM 746 CG2 ILE A 54 -1.817 0.293 -4.329 1.00 0.00 C ATOM 747 CD1 ILE A 54 0.374 1.730 -2.474 1.00 0.00 C ATOM 0 H ILE A 54 -1.404 -1.243 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.497 0.126 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.644 -0.674 -2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.722 2.127 -2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.166 1.201 -1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.955 0.735 -4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.078 -0.646 -4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.662 0.979 -4.387 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.607 2.655 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.054 0.944 -2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.489 1.884 -3.547 1.00 0.00 H new ATOM 759 N TRP A 55 -4.396 -1.842 -3.324 1.00 0.00 N ATOM 760 CA TRP A 55 -4.952 -2.966 -4.068 1.00 0.00 C ATOM 761 C TRP A 55 -5.222 -2.579 -5.518 1.00 0.00 C ATOM 762 O TRP A 55 -6.000 -1.665 -5.792 1.00 0.00 O ATOM 763 CB TRP A 55 -6.243 -3.453 -3.408 1.00 0.00 C ATOM 764 CG TRP A 55 -6.058 -3.873 -1.981 1.00 0.00 C ATOM 765 CD1 TRP A 55 -6.276 -3.111 -0.869 1.00 0.00 C ATOM 766 CD2 TRP A 55 -5.618 -5.152 -1.514 1.00 0.00 C ATOM 767 NE1 TRP A 55 -5.996 -3.840 0.262 1.00 0.00 N ATOM 768 CE2 TRP A 55 -5.592 -5.095 -0.107 1.00 0.00 C ATOM 769 CE3 TRP A 55 -5.244 -6.341 -2.147 1.00 0.00 C ATOM 770 CZ2 TRP A 55 -5.206 -6.181 0.675 1.00 0.00 C ATOM 771 CZ3 TRP A 55 -4.861 -7.417 -1.370 1.00 0.00 C ATOM 772 CH2 TRP A 55 -4.845 -7.332 0.029 1.00 0.00 C ATOM 0 H TRP A 55 -5.053 -1.080 -3.158 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.220 -3.774 -4.058 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.987 -2.658 -3.452 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.640 -4.293 -3.978 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.618 -2.087 -0.877 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.076 -3.501 1.221 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.254 -6.417 -3.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.192 -6.117 1.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.569 -8.340 -1.849 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.542 -8.192 0.608 1.00 0.00 H new ATOM 783 N HIS A 56 -4.575 -3.280 -6.444 1.00 0.00 N ATOM 784 CA HIS A 56 -4.747 -3.010 -7.867 1.00 0.00 C ATOM 785 C HIS A 56 -6.206 -3.180 -8.280 1.00 0.00 C ATOM 786 O HIS A 56 -7.010 -3.787 -7.572 1.00 0.00 O ATOM 787 CB HIS A 56 -3.859 -3.938 -8.695 1.00 0.00 C ATOM 788 CG HIS A 56 -2.517 -3.355 -9.015 1.00 0.00 C ATOM 789 ND1 HIS A 56 -1.338 -4.057 -8.874 1.00 0.00 N ATOM 790 CD2 HIS A 56 -2.171 -2.129 -9.473 1.00 0.00 C ATOM 791 CE1 HIS A 56 -0.325 -3.288 -9.230 1.00 0.00 C ATOM 792 NE2 HIS A 56 -0.803 -2.113 -9.598 1.00 0.00 N ATOM 0 H HIS A 56 -3.927 -4.039 -6.234 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.453 -1.977 -8.053 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.720 -4.873 -8.153 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.371 -4.182 -9.626 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.845 -1.315 -9.698 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.717 -3.572 -9.222 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.247 -1.322 -9.922 1.00 0.00 H new ATOM 800 N PRO A 57 -6.558 -2.632 -9.452 1.00 0.00 N ATOM 801 CA PRO A 57 -7.921 -2.710 -9.985 1.00 0.00 C ATOM 802 C PRO A 57 -8.293 -4.123 -10.423 1.00 0.00 C ATOM 803 O PRO A 57 -9.448 -4.532 -10.317 1.00 0.00 O ATOM 804 CB PRO A 57 -7.885 -1.768 -11.191 1.00 0.00 C ATOM 805 CG PRO A 57 -6.456 -1.744 -11.610 1.00 0.00 C ATOM 806 CD PRO A 57 -5.652 -1.894 -10.348 1.00 0.00 C ATOM 0 HA PRO A 57 -8.667 -2.439 -9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.527 -2.129 -11.994 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.236 -0.771 -10.925 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.240 -2.553 -12.308 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.214 -0.811 -12.118 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.726 -2.442 -10.524 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.375 -0.926 -9.931 1.00 0.00 H new ATOM 814 N ALA A 58 -7.305 -4.863 -10.915 1.00 0.00 N ATOM 815 CA ALA A 58 -7.528 -6.231 -11.366 1.00 0.00 C ATOM 816 C ALA A 58 -7.256 -7.230 -10.247 1.00 0.00 C ATOM 817 O ALA A 58 -7.937 -8.250 -10.132 1.00 0.00 O ATOM 818 CB ALA A 58 -6.654 -6.538 -12.573 1.00 0.00 C ATOM 0 H ALA A 58 -6.343 -4.538 -11.011 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.575 -6.325 -11.655 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.831 -7.563 -12.899 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.899 -5.852 -13.384 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.605 -6.419 -12.302 1.00 0.00 H new ATOM 824 N CYS A 59 -6.257 -6.931 -9.423 1.00 0.00 N ATOM 825 CA CYS A 59 -5.894 -7.803 -8.312 1.00 0.00 C ATOM 826 C CYS A 59 -7.017 -7.866 -7.280 1.00 0.00 C ATOM 827 O CYS A 59 -7.590 -8.927 -7.036 1.00 0.00 O ATOM 828 CB CYS A 59 -4.605 -7.311 -7.651 1.00 0.00 C ATOM 829 SG CYS A 59 -3.156 -7.314 -8.754 1.00 0.00 S ATOM 0 H CYS A 59 -5.684 -6.091 -9.504 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.732 -8.806 -8.707 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.763 -6.299 -7.280 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.391 -7.938 -6.786 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.069 -7.298 -8.042 1.00 0.00 H new ATOM 834 N ARG A 60 -7.324 -6.721 -6.679 1.00 0.00 N ATOM 835 CA ARG A 60 -8.377 -6.646 -5.673 1.00 0.00 C ATOM 836 C ARG A 60 -9.570 -7.511 -6.068 1.00 0.00 C ATOM 837 O ARG A 60 -10.061 -8.308 -5.270 1.00 0.00 O ATOM 838 CB ARG A 60 -8.826 -5.196 -5.482 1.00 0.00 C ATOM 839 CG ARG A 60 -9.568 -4.955 -4.177 1.00 0.00 C ATOM 840 CD ARG A 60 -11.049 -5.272 -4.312 1.00 0.00 C ATOM 841 NE ARG A 60 -11.859 -4.521 -3.357 1.00 0.00 N ATOM 842 CZ ARG A 60 -11.832 -4.730 -2.045 1.00 0.00 C ATOM 843 NH1 ARG A 60 -11.039 -5.662 -1.536 1.00 0.00 N ATOM 844 NH2 ARG A 60 -12.598 -4.005 -1.241 1.00 0.00 N ATOM 0 H ARG A 60 -6.859 -5.834 -6.871 1.00 0.00 H new ATOM 0 HA ARG A 60 -7.974 -7.022 -4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.952 -4.546 -5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.470 -4.911 -6.314 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.133 -5.572 -3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.443 -3.916 -3.873 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.378 -5.042 -5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.206 -6.340 -4.160 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.480 -3.796 -3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.448 -6.220 -2.152 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.020 -5.821 -0.529 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.209 -3.286 -1.630 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.577 -4.166 -0.234 1.00 0.00 H new ATOM 858 N GLN A 61 -10.029 -7.347 -7.305 1.00 0.00 N ATOM 859 CA GLN A 61 -11.165 -8.113 -7.805 1.00 0.00 C ATOM 860 C GLN A 61 -11.072 -9.572 -7.370 1.00 0.00 C ATOM 861 O GLN A 61 -12.057 -10.162 -6.927 1.00 0.00 O ATOM 862 CB GLN A 61 -11.233 -8.027 -9.330 1.00 0.00 C ATOM 863 CG GLN A 61 -11.635 -6.654 -9.845 1.00 0.00 C ATOM 864 CD GLN A 61 -13.137 -6.451 -9.855 1.00 0.00 C ATOM 865 OE1 GLN A 61 -13.791 -6.613 -10.886 1.00 0.00 O ATOM 866 NE2 GLN A 61 -13.695 -6.095 -8.703 1.00 0.00 N ATOM 0 H GLN A 61 -9.632 -6.692 -7.978 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.074 -7.684 -7.383 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -10.260 -8.291 -9.744 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -11.946 -8.766 -9.696 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.173 -5.887 -9.223 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.248 -6.521 -10.855 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -13.116 -5.972 -7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -14.702 -5.945 -8.649 1.00 0.00 H new ATOM 875 N ALA A 62 -9.882 -10.148 -7.499 1.00 0.00 N ATOM 876 CA ALA A 62 -9.660 -11.537 -7.118 1.00 0.00 C ATOM 877 C ALA A 62 -9.721 -11.708 -5.604 1.00 0.00 C ATOM 878 O ALA A 62 -10.349 -12.638 -5.100 1.00 0.00 O ATOM 879 CB ALA A 62 -8.320 -12.024 -7.652 1.00 0.00 C ATOM 0 H ALA A 62 -9.056 -9.674 -7.865 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.455 -12.139 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.168 -13.063 -7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.312 -11.948 -8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.519 -11.410 -7.240 1.00 0.00 H new ATOM 885 N ALA A 63 -9.065 -10.803 -4.884 1.00 0.00 N ATOM 886 CA ALA A 63 -9.047 -10.853 -3.427 1.00 0.00 C ATOM 887 C ALA A 63 -10.460 -10.777 -2.858 1.00 0.00 C ATOM 888 O ALA A 63 -10.773 -11.428 -1.860 1.00 0.00 O ATOM 889 CB ALA A 63 -8.191 -9.725 -2.871 1.00 0.00 C ATOM 0 H ALA A 63 -8.539 -10.027 -5.286 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.613 -11.806 -3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.187 -9.774 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.171 -9.825 -3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.601 -8.766 -3.189 1.00 0.00 H new ATOM 895 N ARG A 64 -11.309 -9.979 -3.497 1.00 0.00 N ATOM 896 CA ARG A 64 -12.688 -9.817 -3.052 1.00 0.00 C ATOM 897 C ARG A 64 -13.308 -11.167 -2.704 1.00 0.00 C ATOM 898 O ARG A 64 -13.853 -11.350 -1.614 1.00 0.00 O ATOM 899 CB ARG A 64 -13.518 -9.127 -4.136 1.00 0.00 C ATOM 900 CG ARG A 64 -13.550 -7.613 -4.006 1.00 0.00 C ATOM 901 CD ARG A 64 -14.973 -7.079 -4.058 1.00 0.00 C ATOM 902 NE ARG A 64 -15.077 -5.878 -4.883 1.00 0.00 N ATOM 903 CZ ARG A 64 -16.225 -5.416 -5.365 1.00 0.00 C ATOM 904 NH1 ARG A 64 -17.361 -6.049 -5.106 1.00 0.00 N ATOM 905 NH2 ARG A 64 -16.239 -4.316 -6.108 1.00 0.00 N ATOM 0 H ARG A 64 -11.066 -9.434 -4.325 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.684 -9.196 -2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.115 -9.391 -5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.538 -9.508 -4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.084 -7.318 -3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.963 -7.165 -4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -15.635 -7.849 -4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -15.313 -6.855 -3.047 1.00 0.00 H new ATOM 0 HE ARG A 64 -14.222 -5.367 -5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -17.355 -6.894 -4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -18.241 -5.691 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -15.368 -3.825 -6.309 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -17.121 -3.962 -6.478 1.00 0.00 H new