USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 315 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 THR N :NH3+ -138:sc= 0.681 (180deg=0.052) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.374 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 73:sc= 0.384 USER MOD Single : A 12 ASN : amide:sc= 0.908 K(o=0.91,f=-0.016) USER MOD Single : A 14 ASN : amide:sc= 0.979 K(o=0.98,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -82:sc= 1.33 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.6! C(o=-2.6!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -3.536 -6.723 7.049 1.00 0.00 N ATOM 2 CA THR A 1 -4.179 -5.394 7.137 1.00 0.00 C ATOM 3 C THR A 1 -3.705 -4.493 6.001 1.00 0.00 C ATOM 4 O THR A 1 -4.356 -4.406 4.960 1.00 0.00 O ATOM 5 CB THR A 1 -3.885 -4.730 8.494 1.00 0.00 C ATOM 6 OG1 THR A 1 -2.490 -4.866 8.807 1.00 0.00 O ATOM 7 CG2 THR A 1 -4.725 -5.356 9.598 1.00 0.00 C ATOM 0 H1 THR A 1 -4.239 -7.463 7.248 1.00 0.00 H new ATOM 0 H2 THR A 1 -3.151 -6.860 6.093 1.00 0.00 H new ATOM 0 H3 THR A 1 -2.765 -6.782 7.744 1.00 0.00 H new ATOM 0 HA THR A 1 -5.256 -5.536 7.048 1.00 0.00 H new ATOM 0 HB THR A 1 -4.143 -3.673 8.425 1.00 0.00 H new ATOM 0 HG1 THR A 1 -2.306 -4.441 9.671 1.00 0.00 H new ATOM 0 HG21 THR A 1 -4.499 -4.870 10.547 1.00 0.00 H new ATOM 0 HG22 THR A 1 -5.783 -5.228 9.367 1.00 0.00 H new ATOM 0 HG23 THR A 1 -4.496 -6.419 9.671 1.00 0.00 H new ATOM 17 N THR A 2 -2.571 -3.833 6.195 1.00 0.00 N ATOM 18 CA THR A 2 -1.946 -3.086 5.122 1.00 0.00 C ATOM 19 C THR A 2 -1.199 -4.060 4.227 1.00 0.00 C ATOM 20 O THR A 2 -0.207 -4.664 4.640 1.00 0.00 O ATOM 21 CB THR A 2 -0.964 -2.035 5.652 1.00 0.00 C ATOM 22 OG1 THR A 2 -1.530 -1.360 6.783 1.00 0.00 O ATOM 23 CG2 THR A 2 -0.622 -1.017 4.571 1.00 0.00 C ATOM 0 H THR A 2 -2.070 -3.802 7.083 1.00 0.00 H new ATOM 0 HA THR A 2 -2.726 -2.562 4.569 1.00 0.00 H new ATOM 0 HB THR A 2 -0.049 -2.546 5.952 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.895 -0.692 7.116 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.076 -0.282 4.971 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.165 -1.527 3.723 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.532 -0.513 4.245 1.00 0.00 H new ATOM 31 N CYS A 3 -1.689 -4.230 3.022 1.00 0.00 N ATOM 32 CA CYS A 3 -1.168 -5.250 2.131 1.00 0.00 C ATOM 33 C CYS A 3 -1.014 -4.708 0.717 1.00 0.00 C ATOM 34 O CYS A 3 -1.993 -4.506 -0.002 1.00 0.00 O ATOM 35 CB CYS A 3 -2.086 -6.478 2.161 1.00 0.00 C ATOM 36 SG CYS A 3 -2.285 -7.195 3.833 1.00 0.00 S ATOM 0 H CYS A 3 -2.450 -3.675 2.631 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.177 -5.549 2.473 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.066 -6.199 1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.684 -7.239 1.493 1.00 0.00 H new ATOM 41 N CYS A 4 0.227 -4.454 0.337 1.00 0.00 N ATOM 42 CA CYS A 4 0.537 -3.903 -0.973 1.00 0.00 C ATOM 43 C CYS A 4 1.161 -4.986 -1.850 1.00 0.00 C ATOM 44 O CYS A 4 1.601 -6.013 -1.334 1.00 0.00 O ATOM 45 CB CYS A 4 1.514 -2.727 -0.829 1.00 0.00 C ATOM 46 SG CYS A 4 1.059 -1.502 0.448 1.00 0.00 S ATOM 0 H CYS A 4 1.044 -4.622 0.924 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.383 -3.547 -1.437 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.503 -3.122 -0.597 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.591 -2.218 -1.790 1.00 0.00 H new ATOM 51 N PRO A 5 1.187 -4.786 -3.183 1.00 0.00 N ATOM 52 CA PRO A 5 1.901 -5.684 -4.108 1.00 0.00 C ATOM 53 C PRO A 5 3.411 -5.717 -3.824 1.00 0.00 C ATOM 54 O PRO A 5 3.828 -5.477 -2.692 1.00 0.00 O ATOM 55 CB PRO A 5 1.616 -5.082 -5.493 1.00 0.00 C ATOM 56 CG PRO A 5 1.163 -3.685 -5.239 1.00 0.00 C ATOM 57 CD PRO A 5 0.504 -3.691 -3.893 1.00 0.00 C ATOM 0 HA PRO A 5 1.571 -6.719 -4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.509 -5.097 -6.118 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.850 -5.653 -6.018 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.006 -2.994 -5.255 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.467 -3.356 -6.011 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.631 -2.738 -3.379 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.568 -3.870 -3.971 1.00 0.00 H new ATOM 65 N SER A 6 4.218 -6.019 -4.848 1.00 0.00 N ATOM 66 CA SER A 6 5.674 -6.121 -4.696 1.00 0.00 C ATOM 67 C SER A 6 6.228 -4.997 -3.813 1.00 0.00 C ATOM 68 O SER A 6 5.760 -3.857 -3.882 1.00 0.00 O ATOM 69 CB SER A 6 6.356 -6.100 -6.069 1.00 0.00 C ATOM 70 OG SER A 6 7.730 -6.439 -5.965 1.00 0.00 O ATOM 0 H SER A 6 3.885 -6.198 -5.795 1.00 0.00 H new ATOM 0 HA SER A 6 5.890 -7.070 -4.204 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.855 -6.801 -6.737 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.256 -5.109 -6.513 1.00 0.00 H new ATOM 0 HG SER A 6 8.140 -6.420 -6.855 1.00 0.00 H new ATOM 76 N ILE A 7 7.233 -5.346 -3.001 1.00 0.00 N ATOM 77 CA ILE A 7 7.783 -4.475 -1.952 1.00 0.00 C ATOM 78 C ILE A 7 7.928 -3.020 -2.411 1.00 0.00 C ATOM 79 O ILE A 7 7.592 -2.092 -1.673 1.00 0.00 O ATOM 80 CB ILE A 7 9.169 -4.978 -1.480 1.00 0.00 C ATOM 81 CG1 ILE A 7 9.083 -6.436 -1.022 1.00 0.00 C ATOM 82 CG2 ILE A 7 9.704 -4.099 -0.356 1.00 0.00 C ATOM 83 CD1 ILE A 7 10.417 -7.026 -0.618 1.00 0.00 C ATOM 0 H ILE A 7 7.695 -6.254 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 7 7.068 -4.512 -1.130 1.00 0.00 H new ATOM 0 HB ILE A 7 9.859 -4.920 -2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.396 -6.503 -0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.659 -7.036 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.679 -4.468 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.803 -3.074 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.013 -4.125 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.277 -8.061 -0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.102 -6.992 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.834 -6.451 0.208 1.00 0.00 H new ATOM 95 N VAL A 8 8.408 -2.838 -3.640 1.00 0.00 N ATOM 96 CA VAL A 8 8.648 -1.506 -4.201 1.00 0.00 C ATOM 97 C VAL A 8 7.397 -0.621 -4.118 1.00 0.00 C ATOM 98 O VAL A 8 7.490 0.581 -3.860 1.00 0.00 O ATOM 99 CB VAL A 8 9.110 -1.601 -5.673 1.00 0.00 C ATOM 100 CG1 VAL A 8 9.491 -0.229 -6.218 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.277 -2.570 -5.802 1.00 0.00 C ATOM 0 H VAL A 8 8.641 -3.603 -4.273 1.00 0.00 H new ATOM 0 HA VAL A 8 9.437 -1.049 -3.603 1.00 0.00 H new ATOM 0 HB VAL A 8 8.277 -1.978 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.812 -0.326 -7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.629 0.436 -6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.305 0.185 -5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.590 -2.625 -6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.109 -2.221 -5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.968 -3.559 -5.463 1.00 0.00 H new ATOM 111 N ALA A 9 6.230 -1.223 -4.312 1.00 0.00 N ATOM 112 CA ALA A 9 4.971 -0.489 -4.267 1.00 0.00 C ATOM 113 C ALA A 9 4.684 0.014 -2.856 1.00 0.00 C ATOM 114 O ALA A 9 4.263 1.157 -2.668 1.00 0.00 O ATOM 115 CB ALA A 9 3.829 -1.363 -4.763 1.00 0.00 C ATOM 0 H ALA A 9 6.129 -2.220 -4.502 1.00 0.00 H new ATOM 0 HA ALA A 9 5.058 0.376 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.896 -0.800 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.025 -1.669 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.747 -2.247 -4.131 1.00 0.00 H new ATOM 121 N ARG A 10 4.939 -0.834 -1.866 1.00 0.00 N ATOM 122 CA ARG A 10 4.739 -0.459 -0.472 1.00 0.00 C ATOM 123 C ARG A 10 5.738 0.618 -0.067 1.00 0.00 C ATOM 124 O ARG A 10 5.423 1.515 0.716 1.00 0.00 O ATOM 125 CB ARG A 10 4.857 -1.686 0.441 1.00 0.00 C ATOM 126 CG ARG A 10 4.806 -1.345 1.923 1.00 0.00 C ATOM 127 CD ARG A 10 4.366 -2.526 2.777 1.00 0.00 C ATOM 128 NE ARG A 10 5.208 -3.712 2.603 1.00 0.00 N ATOM 129 CZ ARG A 10 5.949 -4.248 3.573 1.00 0.00 C ATOM 130 NH1 ARG A 10 6.086 -3.625 4.739 1.00 0.00 N ATOM 131 NH2 ARG A 10 6.575 -5.392 3.359 1.00 0.00 N ATOM 0 H ARG A 10 5.284 -1.784 -2.003 1.00 0.00 H new ATOM 0 HA ARG A 10 3.733 -0.054 -0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.051 -2.382 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.794 -2.200 0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.791 -1.011 2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.119 -0.513 2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.378 -2.231 3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.336 -2.781 2.529 1.00 0.00 H new ATOM 0 HE ARG A 10 5.229 -4.154 1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.622 -2.730 4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.655 -4.042 5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.490 -5.859 2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.144 -5.808 4.097 1.00 0.00 H new ATOM 145 N SER A 11 6.939 0.534 -0.619 1.00 0.00 N ATOM 146 CA SER A 11 7.952 1.552 -0.387 1.00 0.00 C ATOM 147 C SER A 11 7.500 2.893 -0.967 1.00 0.00 C ATOM 148 O SER A 11 7.606 3.928 -0.312 1.00 0.00 O ATOM 149 CB SER A 11 9.280 1.118 -1.003 1.00 0.00 C ATOM 150 OG SER A 11 9.637 -0.176 -0.546 1.00 0.00 O ATOM 0 H SER A 11 7.236 -0.227 -1.230 1.00 0.00 H new ATOM 0 HA SER A 11 8.091 1.674 0.687 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.201 1.118 -2.090 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.061 1.832 -0.740 1.00 0.00 H new ATOM 0 HG SER A 11 9.065 -0.845 -0.977 1.00 0.00 H new ATOM 156 N ASN A 12 6.965 2.858 -2.186 1.00 0.00 N ATOM 157 CA ASN A 12 6.450 4.063 -2.840 1.00 0.00 C ATOM 158 C ASN A 12 5.323 4.690 -2.025 1.00 0.00 C ATOM 159 O ASN A 12 5.207 5.915 -1.944 1.00 0.00 O ATOM 160 CB ASN A 12 5.961 3.750 -4.256 1.00 0.00 C ATOM 161 CG ASN A 12 7.065 3.854 -5.294 1.00 0.00 C ATOM 162 OD1 ASN A 12 7.281 4.914 -5.882 1.00 0.00 O ATOM 163 ND2 ASN A 12 7.776 2.764 -5.527 1.00 0.00 N ATOM 0 H ASN A 12 6.876 2.008 -2.743 1.00 0.00 H new ATOM 0 HA ASN A 12 7.270 4.778 -2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.542 2.744 -4.277 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.156 4.436 -4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.531 2.784 -6.212 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.569 1.903 -5.021 1.00 0.00 H new ATOM 170 N PHE A 13 4.499 3.844 -1.416 1.00 0.00 N ATOM 171 CA PHE A 13 3.449 4.309 -0.516 1.00 0.00 C ATOM 172 C PHE A 13 4.051 5.117 0.630 1.00 0.00 C ATOM 173 O PHE A 13 3.566 6.197 0.971 1.00 0.00 O ATOM 174 CB PHE A 13 2.656 3.115 0.031 1.00 0.00 C ATOM 175 CG PHE A 13 1.749 3.460 1.180 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.587 4.185 0.975 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.063 3.055 2.468 1.00 0.00 C ATOM 178 CE1 PHE A 13 -0.244 4.499 2.032 1.00 0.00 C ATOM 179 CE2 PHE A 13 1.236 3.368 3.530 1.00 0.00 C ATOM 180 CZ PHE A 13 0.081 4.091 3.311 1.00 0.00 C ATOM 0 H PHE A 13 4.538 2.831 -1.529 1.00 0.00 H new ATOM 0 HA PHE A 13 2.770 4.954 -1.074 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.059 2.688 -0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.356 2.343 0.352 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.328 4.508 -0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.965 2.488 2.644 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.148 5.064 1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.493 3.048 4.529 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.568 4.337 4.138 1.00 0.00 H new ATOM 190 N ASN A 14 5.132 4.603 1.198 1.00 0.00 N ATOM 191 CA ASN A 14 5.784 5.253 2.330 1.00 0.00 C ATOM 192 C ASN A 14 6.546 6.506 1.901 1.00 0.00 C ATOM 193 O ASN A 14 6.861 7.361 2.728 1.00 0.00 O ATOM 194 CB ASN A 14 6.717 4.279 3.048 1.00 0.00 C ATOM 195 CG ASN A 14 5.966 3.333 3.970 1.00 0.00 C ATOM 196 OD1 ASN A 14 5.736 3.641 5.139 1.00 0.00 O ATOM 197 ND2 ASN A 14 5.570 2.180 3.451 1.00 0.00 N ATOM 0 H ASN A 14 5.578 3.737 0.895 1.00 0.00 H new ATOM 0 HA ASN A 14 5.002 5.563 3.023 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.271 3.699 2.310 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.450 4.841 3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.056 1.512 4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.780 1.960 2.477 1.00 0.00 H new ATOM 204 N VAL A 15 6.837 6.612 0.609 1.00 0.00 N ATOM 205 CA VAL A 15 7.440 7.821 0.058 1.00 0.00 C ATOM 206 C VAL A 15 6.445 8.978 0.132 1.00 0.00 C ATOM 207 O VAL A 15 6.813 10.113 0.430 1.00 0.00 O ATOM 208 CB VAL A 15 7.900 7.619 -1.406 1.00 0.00 C ATOM 209 CG1 VAL A 15 8.437 8.915 -1.995 1.00 0.00 C ATOM 210 CG2 VAL A 15 8.953 6.525 -1.492 1.00 0.00 C ATOM 0 H VAL A 15 6.665 5.876 -0.076 1.00 0.00 H new ATOM 0 HA VAL A 15 8.322 8.053 0.655 1.00 0.00 H new ATOM 0 HB VAL A 15 7.031 7.314 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.753 8.744 -3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.655 9.674 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.288 9.257 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.263 6.399 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.816 6.802 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.536 5.589 -1.122 1.00 0.00 H new ATOM 220 N CYS A 16 5.177 8.674 -0.114 1.00 0.00 N ATOM 221 CA CYS A 16 4.115 9.667 -0.004 1.00 0.00 C ATOM 222 C CYS A 16 3.740 9.877 1.462 1.00 0.00 C ATOM 223 O CYS A 16 3.284 10.950 1.867 1.00 0.00 O ATOM 224 CB CYS A 16 2.890 9.221 -0.805 1.00 0.00 C ATOM 225 SG CYS A 16 1.436 10.288 -0.569 1.00 0.00 S ATOM 0 H CYS A 16 4.858 7.746 -0.392 1.00 0.00 H new ATOM 0 HA CYS A 16 4.474 10.612 -0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.147 9.201 -1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.632 8.201 -0.520 1.00 0.00 H new ATOM 230 N ARG A 17 3.967 8.843 2.258 1.00 0.00 N ATOM 231 CA ARG A 17 3.681 8.882 3.686 1.00 0.00 C ATOM 232 C ARG A 17 4.766 9.675 4.424 1.00 0.00 C ATOM 233 O ARG A 17 4.656 9.948 5.617 1.00 0.00 O ATOM 234 CB ARG A 17 3.607 7.449 4.224 1.00 0.00 C ATOM 235 CG ARG A 17 3.099 7.338 5.648 1.00 0.00 C ATOM 236 CD ARG A 17 1.624 7.691 5.758 1.00 0.00 C ATOM 237 NE ARG A 17 1.139 7.497 7.119 1.00 0.00 N ATOM 238 CZ ARG A 17 0.216 8.248 7.705 1.00 0.00 C ATOM 239 NH1 ARG A 17 -0.305 9.292 7.075 1.00 0.00 N ATOM 240 NH2 ARG A 17 -0.168 7.958 8.939 1.00 0.00 N ATOM 0 H ARG A 17 4.353 7.956 1.935 1.00 0.00 H new ATOM 0 HA ARG A 17 2.725 9.379 3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.958 6.863 3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.600 7.002 4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.256 6.322 6.010 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.679 7.999 6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.472 8.728 5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.046 7.073 5.071 1.00 0.00 H new ATOM 0 HE ARG A 17 1.538 6.729 7.659 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.003 9.524 6.131 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.014 9.863 7.535 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.245 7.164 9.428 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.877 8.528 9.400 1.00 0.00 H new ATOM 254 N LEU A 18 5.813 10.043 3.697 1.00 0.00 N ATOM 255 CA LEU A 18 6.939 10.762 4.278 1.00 0.00 C ATOM 256 C LEU A 18 6.618 12.250 4.496 1.00 0.00 C ATOM 257 O LEU A 18 6.789 12.749 5.610 1.00 0.00 O ATOM 258 CB LEU A 18 8.188 10.585 3.407 1.00 0.00 C ATOM 259 CG LEU A 18 9.475 11.197 3.961 1.00 0.00 C ATOM 260 CD1 LEU A 18 9.906 10.484 5.235 1.00 0.00 C ATOM 261 CD2 LEU A 18 10.579 11.133 2.918 1.00 0.00 C ATOM 0 H LEU A 18 5.906 9.854 2.699 1.00 0.00 H new ATOM 0 HA LEU A 18 7.138 10.335 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.352 9.519 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.991 11.023 2.428 1.00 0.00 H new ATOM 0 HG LEU A 18 9.283 12.242 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.824 10.936 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.121 10.575 5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.082 9.430 5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.490 11.572 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.766 10.093 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.274 11.688 2.031 1.00 0.00 H new ATOM 273 N PRO A 19 6.148 12.997 3.467 1.00 0.00 N ATOM 274 CA PRO A 19 5.814 14.417 3.628 1.00 0.00 C ATOM 275 C PRO A 19 4.554 14.618 4.466 1.00 0.00 C ATOM 276 O PRO A 19 4.463 15.563 5.251 1.00 0.00 O ATOM 277 CB PRO A 19 5.580 14.920 2.195 1.00 0.00 C ATOM 278 CG PRO A 19 6.071 13.832 1.304 1.00 0.00 C ATOM 279 CD PRO A 19 5.914 12.560 2.082 1.00 0.00 C ATOM 0 HA PRO A 19 6.606 14.954 4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.524 15.124 2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.119 15.849 2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.497 13.797 0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.113 13.994 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.921 12.128 1.956 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.633 11.803 1.769 1.00 0.00 H new ATOM 287 N GLY A 20 3.588 13.721 4.303 1.00 0.00 N ATOM 288 CA GLY A 20 2.355 13.815 5.061 1.00 0.00 C ATOM 289 C GLY A 20 1.132 13.945 4.176 1.00 0.00 C ATOM 290 O GLY A 20 0.212 14.702 4.486 1.00 0.00 O ATOM 0 H GLY A 20 3.637 12.931 3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.251 12.930 5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.408 14.675 5.728 1.00 0.00 H new ATOM 294 N THR A 21 1.124 13.216 3.075 1.00 0.00 N ATOM 295 CA THR A 21 -0.013 13.207 2.172 1.00 0.00 C ATOM 296 C THR A 21 -0.959 12.067 2.557 1.00 0.00 C ATOM 297 O THR A 21 -0.493 11.013 2.998 1.00 0.00 O ATOM 298 CB THR A 21 0.471 13.046 0.714 1.00 0.00 C ATOM 299 OG1 THR A 21 1.484 14.024 0.441 1.00 0.00 O ATOM 300 CG2 THR A 21 -0.668 13.213 -0.284 1.00 0.00 C ATOM 0 H THR A 21 1.898 12.619 2.783 1.00 0.00 H new ATOM 0 HA THR A 21 -0.550 14.152 2.251 1.00 0.00 H new ATOM 0 HB THR A 21 0.870 12.038 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.795 13.924 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.285 13.092 -1.297 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.432 12.460 -0.093 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.103 14.207 -0.177 1.00 0.00 H new ATOM 308 N PRO A 22 -2.291 12.291 2.452 1.00 0.00 N ATOM 309 CA PRO A 22 -3.310 11.290 2.771 1.00 0.00 C ATOM 310 C PRO A 22 -2.902 9.863 2.410 1.00 0.00 C ATOM 311 O PRO A 22 -2.590 9.555 1.254 1.00 0.00 O ATOM 312 CB PRO A 22 -4.494 11.734 1.922 1.00 0.00 C ATOM 313 CG PRO A 22 -4.377 13.220 1.848 1.00 0.00 C ATOM 314 CD PRO A 22 -2.916 13.563 2.040 1.00 0.00 C ATOM 0 HA PRO A 22 -3.507 11.246 3.842 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.459 11.285 0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.439 11.434 2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.735 13.587 0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.988 13.693 2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.473 13.944 1.120 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.785 14.334 2.799 1.00 0.00 H new ATOM 322 N GLU A 23 -2.928 9.000 3.412 1.00 0.00 N ATOM 323 CA GLU A 23 -2.469 7.627 3.270 1.00 0.00 C ATOM 324 C GLU A 23 -3.350 6.851 2.298 1.00 0.00 C ATOM 325 O GLU A 23 -2.848 6.157 1.419 1.00 0.00 O ATOM 326 CB GLU A 23 -2.440 6.937 4.639 1.00 0.00 C ATOM 327 CG GLU A 23 -3.707 7.139 5.457 1.00 0.00 C ATOM 328 CD GLU A 23 -3.665 6.434 6.795 1.00 0.00 C ATOM 329 OE1 GLU A 23 -2.786 6.758 7.617 1.00 0.00 O ATOM 330 OE2 GLU A 23 -4.528 5.565 7.041 1.00 0.00 O ATOM 0 H GLU A 23 -3.267 9.230 4.346 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.458 7.645 2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.279 5.869 4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.589 7.313 5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.862 8.206 5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.562 6.776 4.888 1.00 0.00 H new ATOM 337 N ALA A 24 -4.663 6.997 2.442 1.00 0.00 N ATOM 338 CA ALA A 24 -5.610 6.286 1.594 1.00 0.00 C ATOM 339 C ALA A 24 -5.463 6.710 0.137 1.00 0.00 C ATOM 340 O ALA A 24 -5.598 5.890 -0.772 1.00 0.00 O ATOM 341 CB ALA A 24 -7.035 6.511 2.076 1.00 0.00 C ATOM 0 H ALA A 24 -5.095 7.603 3.140 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.388 5.221 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.727 5.972 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.135 6.147 3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.265 7.576 2.046 1.00 0.00 H new ATOM 347 N LEU A 25 -5.178 7.992 -0.072 1.00 0.00 N ATOM 348 CA LEU A 25 -4.958 8.529 -1.406 1.00 0.00 C ATOM 349 C LEU A 25 -3.810 7.792 -2.088 1.00 0.00 C ATOM 350 O LEU A 25 -3.985 7.171 -3.138 1.00 0.00 O ATOM 351 CB LEU A 25 -4.634 10.026 -1.304 1.00 0.00 C ATOM 352 CG LEU A 25 -5.047 10.889 -2.501 1.00 0.00 C ATOM 353 CD1 LEU A 25 -4.785 12.359 -2.207 1.00 0.00 C ATOM 354 CD2 LEU A 25 -4.319 10.471 -3.773 1.00 0.00 C ATOM 0 H LEU A 25 -5.094 8.682 0.675 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.861 8.393 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.120 10.422 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.559 10.135 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.114 10.740 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.083 12.961 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.361 12.664 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.723 12.507 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.638 11.106 -4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.244 10.577 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.554 9.432 -4.002 1.00 0.00 H new ATOM 366 N CYS A 26 -2.643 7.841 -1.468 1.00 0.00 N ATOM 367 CA CYS A 26 -1.446 7.270 -2.059 1.00 0.00 C ATOM 368 C CYS A 26 -1.433 5.747 -1.981 1.00 0.00 C ATOM 369 O CYS A 26 -0.709 5.093 -2.731 1.00 0.00 O ATOM 370 CB CYS A 26 -0.203 7.873 -1.412 1.00 0.00 C ATOM 371 SG CYS A 26 0.086 9.598 -1.913 1.00 0.00 S ATOM 0 H CYS A 26 -2.500 8.271 -0.554 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.445 7.523 -3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.304 7.826 -0.328 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.667 7.272 -1.677 1.00 0.00 H new ATOM 376 N ALA A 27 -2.240 5.182 -1.093 1.00 0.00 N ATOM 377 CA ALA A 27 -2.414 3.736 -1.052 1.00 0.00 C ATOM 378 C ALA A 27 -3.122 3.270 -2.312 1.00 0.00 C ATOM 379 O ALA A 27 -2.706 2.311 -2.959 1.00 0.00 O ATOM 380 CB ALA A 27 -3.197 3.314 0.180 1.00 0.00 C ATOM 0 H ALA A 27 -2.780 5.697 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.430 3.270 -0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.312 2.230 0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.661 3.626 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.181 3.783 0.164 1.00 0.00 H new ATOM 386 N THR A 28 -4.181 3.981 -2.671 1.00 0.00 N ATOM 387 CA THR A 28 -4.933 3.680 -3.878 1.00 0.00 C ATOM 388 C THR A 28 -4.096 4.012 -5.116 1.00 0.00 C ATOM 389 O THR A 28 -4.210 3.362 -6.156 1.00 0.00 O ATOM 390 CB THR A 28 -6.255 4.478 -3.914 1.00 0.00 C ATOM 391 OG1 THR A 28 -6.917 4.385 -2.641 1.00 0.00 O ATOM 392 CG2 THR A 28 -7.185 3.953 -4.998 1.00 0.00 C ATOM 0 H THR A 28 -4.539 4.774 -2.140 1.00 0.00 H new ATOM 0 HA THR A 28 -5.169 2.616 -3.876 1.00 0.00 H new ATOM 0 HB THR A 28 -6.013 5.518 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.483 4.987 -2.002 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.107 4.534 -4.999 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.699 4.042 -5.969 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.416 2.906 -4.803 1.00 0.00 H new ATOM 400 N TYR A 29 -3.238 5.019 -4.982 1.00 0.00 N ATOM 401 CA TYR A 29 -2.365 5.446 -6.073 1.00 0.00 C ATOM 402 C TYR A 29 -1.263 4.417 -6.348 1.00 0.00 C ATOM 403 O TYR A 29 -0.774 4.306 -7.474 1.00 0.00 O ATOM 404 CB TYR A 29 -1.751 6.811 -5.746 1.00 0.00 C ATOM 405 CG TYR A 29 -0.859 7.368 -6.837 1.00 0.00 C ATOM 406 CD1 TYR A 29 -1.394 7.838 -8.030 1.00 0.00 C ATOM 407 CD2 TYR A 29 0.517 7.441 -6.663 1.00 0.00 C ATOM 408 CE1 TYR A 29 -0.582 8.360 -9.021 1.00 0.00 C ATOM 409 CE2 TYR A 29 1.336 7.959 -7.649 1.00 0.00 C ATOM 410 CZ TYR A 29 0.782 8.419 -8.826 1.00 0.00 C ATOM 411 OH TYR A 29 1.600 8.936 -9.809 1.00 0.00 O ATOM 0 H TYR A 29 -3.128 5.558 -4.123 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.969 5.530 -6.976 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.555 7.521 -5.551 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.172 6.725 -4.827 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.462 7.795 -8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.955 7.087 -5.741 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.014 8.720 -9.943 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.405 8.003 -7.499 1.00 0.00 H new ATOM 0 HH TYR A 29 2.532 8.904 -9.509 1.00 0.00 H new ATOM 421 N THR A 30 -0.874 3.670 -5.322 1.00 0.00 N ATOM 422 CA THR A 30 0.162 2.654 -5.467 1.00 0.00 C ATOM 423 C THR A 30 -0.441 1.271 -5.702 1.00 0.00 C ATOM 424 O THR A 30 0.284 0.293 -5.910 1.00 0.00 O ATOM 425 CB THR A 30 1.084 2.610 -4.228 1.00 0.00 C ATOM 426 OG1 THR A 30 0.297 2.608 -3.028 1.00 0.00 O ATOM 427 CG2 THR A 30 2.037 3.796 -4.214 1.00 0.00 C ATOM 0 H THR A 30 -1.260 3.748 -4.381 1.00 0.00 H new ATOM 0 HA THR A 30 0.755 2.931 -6.339 1.00 0.00 H new ATOM 0 HB THR A 30 1.673 1.694 -4.277 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.034 3.526 -2.808 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.674 3.740 -3.331 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.656 3.776 -5.111 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.464 4.723 -4.190 1.00 0.00 H new ATOM 435 N GLY A 31 -1.767 1.192 -5.673 1.00 0.00 N ATOM 436 CA GLY A 31 -2.439 -0.074 -5.896 1.00 0.00 C ATOM 437 C GLY A 31 -2.393 -0.975 -4.678 1.00 0.00 C ATOM 438 O GLY A 31 -2.460 -2.197 -4.794 1.00 0.00 O ATOM 0 H GLY A 31 -2.388 1.982 -5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.478 0.112 -6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.975 -0.585 -6.740 1.00 0.00 H new ATOM 442 N CYS A 32 -2.277 -0.366 -3.509 1.00 0.00 N ATOM 443 CA CYS A 32 -2.203 -1.103 -2.260 1.00 0.00 C ATOM 444 C CYS A 32 -3.571 -1.134 -1.583 1.00 0.00 C ATOM 445 O CYS A 32 -4.432 -0.302 -1.877 1.00 0.00 O ATOM 446 CB CYS A 32 -1.166 -0.454 -1.337 1.00 0.00 C ATOM 447 SG CYS A 32 -0.952 -1.299 0.264 1.00 0.00 S ATOM 0 H CYS A 32 -2.232 0.647 -3.400 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.899 -2.129 -2.469 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.205 -0.427 -1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.458 0.580 -1.153 1.00 0.00 H new ATOM 452 N ILE A 33 -3.789 -2.099 -0.697 1.00 0.00 N ATOM 453 CA ILE A 33 -5.039 -2.168 0.044 1.00 0.00 C ATOM 454 C ILE A 33 -4.780 -2.145 1.544 1.00 0.00 C ATOM 455 O ILE A 33 -3.857 -2.791 2.043 1.00 0.00 O ATOM 456 CB ILE A 33 -5.876 -3.422 -0.310 1.00 0.00 C ATOM 457 CG1 ILE A 33 -5.087 -4.704 -0.035 1.00 0.00 C ATOM 458 CG2 ILE A 33 -6.320 -3.372 -1.764 1.00 0.00 C ATOM 459 CD1 ILE A 33 -5.873 -5.974 -0.281 1.00 0.00 C ATOM 0 H ILE A 33 -3.121 -2.838 -0.477 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.614 -1.289 -0.247 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.762 -3.428 0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.196 -4.712 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.747 -4.694 1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.907 -4.261 -1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.928 -2.482 -1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.444 -3.337 -2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.245 -6.838 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.750 -5.991 0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.191 -6.009 -1.323 1.00 0.00 H new ATOM 471 N ILE A 34 -5.587 -1.379 2.254 1.00 0.00 N ATOM 472 CA ILE A 34 -5.513 -1.332 3.702 1.00 0.00 C ATOM 473 C ILE A 34 -6.823 -1.831 4.283 1.00 0.00 C ATOM 474 O ILE A 34 -7.808 -1.100 4.348 1.00 0.00 O ATOM 475 CB ILE A 34 -5.220 0.094 4.218 1.00 0.00 C ATOM 476 CG1 ILE A 34 -3.920 0.620 3.602 1.00 0.00 C ATOM 477 CG2 ILE A 34 -5.131 0.100 5.739 1.00 0.00 C ATOM 478 CD1 ILE A 34 -3.636 2.073 3.919 1.00 0.00 C ATOM 0 H ILE A 34 -6.305 -0.778 1.849 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.690 -1.971 4.022 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.037 0.750 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.089 0.011 3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.966 0.496 2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.924 1.112 6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.076 -0.243 6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.329 -0.565 6.059 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.699 2.372 3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.447 2.694 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.556 2.201 4.999 1.00 0.00 H new ATOM 490 N ILE A 35 -6.837 -3.094 4.661 1.00 0.00 N ATOM 491 CA ILE A 35 -8.043 -3.726 5.171 1.00 0.00 C ATOM 492 C ILE A 35 -7.943 -3.945 6.675 1.00 0.00 C ATOM 493 O ILE A 35 -6.845 -4.041 7.225 1.00 0.00 O ATOM 494 CB ILE A 35 -8.313 -5.075 4.471 1.00 0.00 C ATOM 495 CG1 ILE A 35 -7.150 -6.046 4.699 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.549 -4.859 2.981 1.00 0.00 C ATOM 497 CD1 ILE A 35 -7.349 -7.402 4.058 1.00 0.00 C ATOM 0 H ILE A 35 -6.023 -3.708 4.625 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.874 -3.053 4.960 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.211 -5.515 4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.236 -5.601 4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.006 -6.179 5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.738 -5.819 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.410 -4.206 2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.667 -4.398 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.484 -8.032 4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.244 -7.870 4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.462 -7.282 2.981 1.00 0.00 H new ATOM 509 N PRO A 36 -9.090 -4.009 7.365 1.00 0.00 N ATOM 510 CA PRO A 36 -9.128 -4.263 8.806 1.00 0.00 C ATOM 511 C PRO A 36 -8.897 -5.737 9.141 1.00 0.00 C ATOM 512 O PRO A 36 -8.752 -6.102 10.308 1.00 0.00 O ATOM 513 CB PRO A 36 -10.542 -3.837 9.201 1.00 0.00 C ATOM 514 CG PRO A 36 -11.359 -4.041 7.972 1.00 0.00 C ATOM 515 CD PRO A 36 -10.440 -3.815 6.799 1.00 0.00 C ATOM 0 HA PRO A 36 -8.343 -3.726 9.338 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.918 -4.436 10.030 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.566 -2.796 9.523 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.777 -5.047 7.948 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.198 -3.346 7.946 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.640 -4.520 5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.560 -2.814 6.384 1.00 0.00 H new ATOM 523 N GLY A 37 -8.859 -6.576 8.112 1.00 0.00 N ATOM 524 CA GLY A 37 -8.656 -7.998 8.317 1.00 0.00 C ATOM 525 C GLY A 37 -7.255 -8.443 7.943 1.00 0.00 C ATOM 526 O GLY A 37 -6.425 -7.628 7.532 1.00 0.00 O ATOM 0 H GLY A 37 -8.965 -6.296 7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.845 -8.242 9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.381 -8.555 7.724 1.00 0.00 H new ATOM 530 N ALA A 38 -6.984 -9.732 8.081 1.00 0.00 N ATOM 531 CA ALA A 38 -5.675 -10.276 7.754 1.00 0.00 C ATOM 532 C ALA A 38 -5.713 -11.046 6.438 1.00 0.00 C ATOM 533 O ALA A 38 -4.676 -11.459 5.922 1.00 0.00 O ATOM 534 CB ALA A 38 -5.184 -11.176 8.879 1.00 0.00 C ATOM 0 H ALA A 38 -7.655 -10.422 8.418 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.981 -9.444 7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.203 -11.577 8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.110 -10.599 9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.886 -11.998 9.021 1.00 0.00 H new ATOM 540 N THR A 39 -6.912 -11.231 5.900 1.00 0.00 N ATOM 541 CA THR A 39 -7.089 -11.967 4.657 1.00 0.00 C ATOM 542 C THR A 39 -6.599 -11.149 3.460 1.00 0.00 C ATOM 543 O THR A 39 -7.380 -10.478 2.781 1.00 0.00 O ATOM 544 CB THR A 39 -8.566 -12.356 4.446 1.00 0.00 C ATOM 545 OG1 THR A 39 -9.130 -12.817 5.681 1.00 0.00 O ATOM 546 CG2 THR A 39 -8.695 -13.453 3.397 1.00 0.00 C ATOM 0 H THR A 39 -7.778 -10.880 6.308 1.00 0.00 H new ATOM 0 HA THR A 39 -6.493 -12.877 4.732 1.00 0.00 H new ATOM 0 HB THR A 39 -9.103 -11.473 4.100 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.069 -13.061 5.541 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.746 -13.710 3.266 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.287 -13.100 2.450 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.144 -14.335 3.723 1.00 0.00 H new ATOM 554 N CYS A 40 -5.297 -11.176 3.237 1.00 0.00 N ATOM 555 CA CYS A 40 -4.703 -10.500 2.099 1.00 0.00 C ATOM 556 C CYS A 40 -4.219 -11.519 1.082 1.00 0.00 C ATOM 557 O CYS A 40 -3.563 -12.497 1.445 1.00 0.00 O ATOM 558 CB CYS A 40 -3.530 -9.627 2.546 1.00 0.00 C ATOM 559 SG CYS A 40 -3.976 -8.309 3.720 1.00 0.00 S ATOM 0 H CYS A 40 -4.628 -11.662 3.834 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.462 -9.865 1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.773 -10.264 3.004 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.075 -9.174 1.666 1.00 0.00 H new ATOM 564 N PRO A 41 -4.556 -11.317 -0.199 1.00 0.00 N ATOM 565 CA PRO A 41 -4.098 -12.186 -1.284 1.00 0.00 C ATOM 566 C PRO A 41 -2.578 -12.189 -1.395 1.00 0.00 C ATOM 567 O PRO A 41 -1.923 -11.204 -1.045 1.00 0.00 O ATOM 568 CB PRO A 41 -4.723 -11.563 -2.538 1.00 0.00 C ATOM 569 CG PRO A 41 -5.854 -10.735 -2.036 1.00 0.00 C ATOM 570 CD PRO A 41 -5.419 -10.232 -0.692 1.00 0.00 C ATOM 0 HA PRO A 41 -4.386 -13.226 -1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.998 -10.954 -3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.072 -12.331 -3.228 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.066 -9.908 -2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.767 -11.325 -1.957 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.878 -9.289 -0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.268 -10.059 -0.031 1.00 0.00 H new ATOM 578 N GLY A 42 -2.026 -13.296 -1.872 1.00 0.00 N ATOM 579 CA GLY A 42 -0.588 -13.410 -2.041 1.00 0.00 C ATOM 580 C GLY A 42 -0.033 -12.361 -2.986 1.00 0.00 C ATOM 581 O GLY A 42 1.132 -11.974 -2.884 1.00 0.00 O ATOM 0 H GLY A 42 -2.552 -14.125 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.102 -13.314 -1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.347 -14.402 -2.422 1.00 0.00 H new ATOM 585 N ASP A 43 -0.874 -11.899 -3.902 1.00 0.00 N ATOM 586 CA ASP A 43 -0.503 -10.839 -4.835 1.00 0.00 C ATOM 587 C ASP A 43 -0.316 -9.517 -4.092 1.00 0.00 C ATOM 588 O ASP A 43 0.379 -8.617 -4.559 1.00 0.00 O ATOM 589 CB ASP A 43 -1.578 -10.694 -5.916 1.00 0.00 C ATOM 590 CG ASP A 43 -1.148 -9.780 -7.041 1.00 0.00 C ATOM 591 OD1 ASP A 43 -0.156 -10.106 -7.724 1.00 0.00 O ATOM 592 OD2 ASP A 43 -1.802 -8.740 -7.259 1.00 0.00 O ATOM 0 H ASP A 43 -1.826 -12.244 -4.020 1.00 0.00 H new ATOM 0 HA ASP A 43 0.442 -11.104 -5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.816 -11.677 -6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.492 -10.306 -5.466 1.00 0.00 H new ATOM 597 N TYR A 44 -0.929 -9.420 -2.920 1.00 0.00 N ATOM 598 CA TYR A 44 -0.809 -8.237 -2.079 1.00 0.00 C ATOM 599 C TYR A 44 0.052 -8.533 -0.855 1.00 0.00 C ATOM 600 O TYR A 44 -0.071 -7.873 0.177 1.00 0.00 O ATOM 601 CB TYR A 44 -2.186 -7.757 -1.617 1.00 0.00 C ATOM 602 CG TYR A 44 -3.041 -7.137 -2.702 1.00 0.00 C ATOM 603 CD1 TYR A 44 -2.792 -5.849 -3.163 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.116 -7.829 -3.247 1.00 0.00 C ATOM 605 CE1 TYR A 44 -3.586 -5.271 -4.136 1.00 0.00 C ATOM 606 CE2 TYR A 44 -4.916 -7.256 -4.216 1.00 0.00 C ATOM 607 CZ TYR A 44 -4.647 -5.979 -4.656 1.00 0.00 C ATOM 608 OH TYR A 44 -5.452 -5.405 -5.612 1.00 0.00 O ATOM 0 H TYR A 44 -1.519 -10.153 -2.528 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.337 -7.455 -2.674 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.725 -8.602 -1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.051 -7.027 -0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.963 -5.290 -2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.329 -8.832 -2.907 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.376 -4.271 -4.486 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.749 -7.807 -4.627 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.153 -6.039 -5.873 1.00 0.00 H new ATOM 618 N ALA A 45 0.920 -9.525 -0.965 1.00 0.00 N ATOM 619 CA ALA A 45 1.777 -9.902 0.147 1.00 0.00 C ATOM 620 C ALA A 45 3.245 -9.754 -0.220 1.00 0.00 C ATOM 621 O ALA A 45 3.812 -10.607 -0.903 1.00 0.00 O ATOM 622 CB ALA A 45 1.476 -11.327 0.587 1.00 0.00 C ATOM 0 H ALA A 45 1.050 -10.082 -1.810 1.00 0.00 H new ATOM 0 HA ALA A 45 1.570 -9.229 0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.125 -11.595 1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.435 -11.399 0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.652 -12.009 -0.245 1.00 0.00 H new ATOM 628 N ASN A 46 3.847 -8.658 0.219 1.00 0.00 N ATOM 629 CA ASN A 46 5.263 -8.403 -0.012 1.00 0.00 C ATOM 630 C ASN A 46 5.815 -7.492 1.069 1.00 0.00 C ATOM 631 O ASN A 46 6.427 -8.011 2.025 1.00 0.00 O ATOM 632 CB ASN A 46 5.507 -7.785 -1.388 1.00 0.00 C ATOM 633 CG ASN A 46 6.382 -8.661 -2.269 1.00 0.00 C ATOM 634 OD1 ASN A 46 7.210 -8.165 -3.035 1.00 0.00 O ATOM 635 ND2 ASN A 46 6.194 -9.968 -2.185 1.00 0.00 N ATOM 636 OXT ASN A 46 5.620 -6.263 0.978 1.00 0.00 O ATOM 0 H ASN A 46 3.371 -7.923 0.743 1.00 0.00 H new ATOM 0 HA ASN A 46 5.781 -9.361 0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.550 -7.617 -1.883 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.979 -6.810 -1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.744 -10.601 -2.766 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.499 -10.343 -1.539 1.00 0.00 H new TER 643 ASN A 46