USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 0 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+ 150:sc= 0.77 (180deg=0.363) USER MOD Single : A 1 THR OG1 : rot 120:sc= 1.57 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 6 SER OG : rot 180:sc= 0.79 USER MOD Single : A 11 SER OG : rot -21:sc= 0.903 USER MOD Single : A 12 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.6) USER MOD Single : A 14 ASN : amide:sc= -0.689 K(o=-0.69,f=-3.2!) USER MOD Single : A 21 THR OG1 : rot 16:sc= 0.772 USER MOD Single : A 28 THR OG1 : rot 79:sc= 0.0473 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -50:sc= 0.959 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= -7.06! C(o=-7.1!,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -3.859 -6.744 4.142 1.00 0.00 N ATOM 2 CA THR A 1 -2.720 -5.965 3.603 1.00 0.00 C ATOM 3 C THR A 1 -2.742 -5.123 2.336 1.00 0.00 C ATOM 4 O THR A 1 -3.474 -5.380 1.384 1.00 0.00 O ATOM 5 CB THR A 1 -1.419 -6.875 3.550 1.00 0.00 C ATOM 6 OG1 THR A 1 -1.713 -7.997 2.709 1.00 0.00 O ATOM 7 CG2 THR A 1 -0.742 -7.346 4.853 1.00 0.00 C ATOM 0 H1 THR A 1 -3.500 -7.574 4.656 1.00 0.00 H new ATOM 0 H2 THR A 1 -4.411 -6.148 4.791 1.00 0.00 H new ATOM 0 H3 THR A 1 -4.467 -7.058 3.358 1.00 0.00 H new ATOM 0 HA THR A 1 -2.772 -5.164 4.341 1.00 0.00 H new ATOM 0 HB THR A 1 -0.653 -6.200 3.169 1.00 0.00 H new ATOM 0 HG1 THR A 1 -1.091 -8.011 1.952 1.00 0.00 H new ATOM 0 HG21 THR A 1 0.129 -7.955 4.611 1.00 0.00 H new ATOM 0 HG22 THR A 1 -0.428 -6.479 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 1 -1.448 -7.937 5.437 1.00 0.00 H new ATOM 8 N THR A 2 -1.863 -4.120 2.372 1.00 0.00 N ATOM 9 CA THR A 2 -1.801 -2.988 1.402 1.00 0.00 C ATOM 10 C THR A 2 -0.680 -3.213 0.392 1.00 0.00 C ATOM 11 O THR A 2 0.212 -2.403 0.175 1.00 0.00 O ATOM 12 CB THR A 2 -1.532 -1.782 2.281 1.00 0.00 C ATOM 13 OG1 THR A 2 -0.292 -1.947 2.963 1.00 0.00 O ATOM 14 CG2 THR A 2 -2.654 -1.472 3.286 1.00 0.00 C ATOM 0 H THR A 2 -1.145 -4.057 3.094 1.00 0.00 H new ATOM 0 HA THR A 2 -2.709 -2.872 0.810 1.00 0.00 H new ATOM 0 HB THR A 2 -1.488 -0.923 1.612 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.123 -1.164 3.528 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.383 -0.596 3.875 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.581 -1.274 2.747 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.795 -2.326 3.949 1.00 0.00 H new ATOM 15 N CYS A 3 -0.881 -4.327 -0.283 1.00 0.00 N ATOM 16 CA CYS A 3 0.098 -4.963 -1.142 1.00 0.00 C ATOM 17 C CYS A 3 0.425 -4.099 -2.380 1.00 0.00 C ATOM 18 O CYS A 3 -0.441 -3.767 -3.192 1.00 0.00 O ATOM 19 CB CYS A 3 -0.303 -6.368 -1.543 1.00 0.00 C ATOM 20 SG CYS A 3 -0.671 -7.353 -0.049 1.00 0.00 S ATOM 0 H CYS A 3 -1.765 -4.834 -0.247 1.00 0.00 H new ATOM 0 HA CYS A 3 1.009 -5.052 -0.550 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.177 -6.335 -2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.500 -6.838 -2.111 1.00 0.00 H new ATOM 21 N CYS A 4 1.697 -3.702 -2.450 1.00 0.00 N ATOM 22 CA CYS A 4 2.188 -2.747 -3.458 1.00 0.00 C ATOM 23 C CYS A 4 3.260 -3.501 -4.285 1.00 0.00 C ATOM 24 O CYS A 4 4.095 -4.180 -3.734 1.00 0.00 O ATOM 25 CB CYS A 4 2.833 -1.575 -2.707 1.00 0.00 C ATOM 26 SG CYS A 4 1.634 -0.397 -2.015 1.00 0.00 S ATOM 0 H CYS A 4 2.420 -4.031 -1.811 1.00 0.00 H new ATOM 0 HA CYS A 4 1.398 -2.371 -4.108 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.449 -1.969 -1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.500 -1.044 -3.386 1.00 0.00 H new ATOM 27 N PRO A 5 3.219 -3.303 -5.605 1.00 0.00 N ATOM 28 CA PRO A 5 4.078 -4.085 -6.526 1.00 0.00 C ATOM 29 C PRO A 5 5.562 -3.670 -6.608 1.00 0.00 C ATOM 30 O PRO A 5 6.322 -4.307 -7.343 1.00 0.00 O ATOM 31 CB PRO A 5 3.321 -4.000 -7.860 1.00 0.00 C ATOM 32 CG PRO A 5 2.687 -2.614 -7.813 1.00 0.00 C ATOM 33 CD PRO A 5 2.263 -2.448 -6.341 1.00 0.00 C ATOM 0 HA PRO A 5 4.210 -5.105 -6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.993 -4.107 -8.712 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.569 -4.784 -7.947 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.394 -1.841 -8.114 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.832 -2.543 -8.485 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.326 -1.408 -6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.233 -2.769 -6.182 1.00 0.00 H new ATOM 34 N SER A 6 5.990 -2.645 -5.837 1.00 0.00 N ATOM 35 CA SER A 6 7.426 -2.340 -5.727 1.00 0.00 C ATOM 36 C SER A 6 7.686 -1.612 -4.402 1.00 0.00 C ATOM 37 O SER A 6 6.772 -0.994 -3.854 1.00 0.00 O ATOM 38 CB SER A 6 7.949 -1.504 -6.893 1.00 0.00 C ATOM 39 OG SER A 6 7.533 -0.136 -6.804 1.00 0.00 O ATOM 0 H SER A 6 5.378 -2.033 -5.297 1.00 0.00 H new ATOM 0 HA SER A 6 7.965 -3.287 -5.757 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.038 -1.551 -6.913 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.595 -1.930 -7.832 1.00 0.00 H new ATOM 0 HG SER A 6 7.890 0.365 -7.567 1.00 0.00 H new ATOM 40 N ILE A 7 8.947 -1.536 -4.020 1.00 0.00 N ATOM 41 CA ILE A 7 9.399 -0.827 -2.813 1.00 0.00 C ATOM 42 C ILE A 7 9.252 0.711 -3.021 1.00 0.00 C ATOM 43 O ILE A 7 8.917 1.407 -2.074 1.00 0.00 O ATOM 44 CB ILE A 7 10.809 -1.258 -2.366 1.00 0.00 C ATOM 45 CG1 ILE A 7 11.022 -2.807 -2.260 1.00 0.00 C ATOM 46 CG2 ILE A 7 11.173 -0.528 -1.054 1.00 0.00 C ATOM 47 CD1 ILE A 7 12.234 -3.336 -1.456 1.00 0.00 C ATOM 0 H ILE A 7 9.709 -1.970 -4.542 1.00 0.00 H new ATOM 0 HA ILE A 7 8.755 -1.109 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 7 11.496 -0.960 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.121 -3.235 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.100 -3.200 -3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.170 -0.830 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.156 0.549 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.450 -0.787 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.238 -4.426 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 7 13.156 -2.960 -1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.162 -2.996 -0.423 1.00 0.00 H new ATOM 48 N VAL A 8 9.268 1.187 -4.265 1.00 0.00 N ATOM 49 CA VAL A 8 9.122 2.626 -4.623 1.00 0.00 C ATOM 50 C VAL A 8 7.607 2.902 -4.541 1.00 0.00 C ATOM 51 O VAL A 8 7.185 3.932 -4.041 1.00 0.00 O ATOM 52 CB VAL A 8 9.604 2.831 -6.046 1.00 0.00 C ATOM 53 CG1 VAL A 8 9.816 4.286 -6.357 1.00 0.00 C ATOM 54 CG2 VAL A 8 11.010 2.114 -6.290 1.00 0.00 C ATOM 0 H VAL A 8 9.384 0.584 -5.079 1.00 0.00 H new ATOM 0 HA VAL A 8 9.695 3.285 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 8 8.828 2.408 -6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.161 4.392 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.877 4.825 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.564 4.698 -5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.329 2.279 -7.319 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.753 2.529 -5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.909 1.044 -6.109 1.00 0.00 H new ATOM 55 N ALA A 9 6.769 1.966 -5.022 1.00 0.00 N ATOM 56 CA ALA A 9 5.317 2.140 -4.922 1.00 0.00 C ATOM 57 C ALA A 9 4.807 2.047 -3.484 1.00 0.00 C ATOM 58 O ALA A 9 4.008 2.872 -3.072 1.00 0.00 O ATOM 59 CB ALA A 9 4.536 1.146 -5.794 1.00 0.00 C ATOM 0 H ALA A 9 7.067 1.101 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 9 5.136 3.149 -5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.467 1.323 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.816 1.281 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.771 0.128 -5.484 1.00 0.00 H new ATOM 60 N ARG A 10 5.410 1.160 -2.686 1.00 0.00 N ATOM 61 CA ARG A 10 5.126 1.125 -1.219 1.00 0.00 C ATOM 62 C ARG A 10 5.662 2.379 -0.517 1.00 0.00 C ATOM 63 O ARG A 10 4.967 2.939 0.324 1.00 0.00 O ATOM 64 CB ARG A 10 5.605 -0.134 -0.498 1.00 0.00 C ATOM 65 CG ARG A 10 5.128 -0.160 0.958 1.00 0.00 C ATOM 66 CD ARG A 10 3.620 -0.061 1.140 1.00 0.00 C ATOM 67 NE ARG A 10 3.038 -1.026 2.085 1.00 0.00 N ATOM 68 CZ ARG A 10 2.906 -2.341 1.979 1.00 0.00 C ATOM 69 NH1 ARG A 10 3.047 -2.932 0.811 1.00 0.00 N ATOM 70 NH2 ARG A 10 2.631 -3.088 3.036 1.00 0.00 N ATOM 0 H ARG A 10 6.085 0.465 -3.006 1.00 0.00 H new ATOM 0 HA ARG A 10 4.038 1.103 -1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.235 -1.017 -1.019 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.694 -0.180 -0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.476 -1.083 1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.599 0.664 1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.376 0.946 1.478 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.143 -0.195 0.169 1.00 0.00 H new ATOM 0 HE ARG A 10 2.683 -0.623 2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.259 -2.378 -0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.944 -3.944 0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.517 -2.654 3.952 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.533 -4.098 2.935 1.00 0.00 H new ATOM 71 N SER A 11 6.855 2.859 -0.880 1.00 0.00 N ATOM 72 CA SER A 11 7.414 4.103 -0.283 1.00 0.00 C ATOM 73 C SER A 11 6.475 5.280 -0.542 1.00 0.00 C ATOM 74 O SER A 11 6.023 5.954 0.385 1.00 0.00 O ATOM 75 CB SER A 11 8.835 4.440 -0.708 1.00 0.00 C ATOM 76 OG SER A 11 8.958 4.740 -2.104 1.00 0.00 O ATOM 0 H SER A 11 7.457 2.419 -1.576 1.00 0.00 H new ATOM 0 HA SER A 11 7.484 3.906 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.186 5.294 -0.129 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.487 3.601 -0.466 1.00 0.00 H new ATOM 0 HG SER A 11 8.198 4.356 -2.589 1.00 0.00 H new ATOM 77 N ASN A 12 6.005 5.362 -1.792 1.00 0.00 N ATOM 78 CA ASN A 12 4.971 6.333 -2.223 1.00 0.00 C ATOM 79 C ASN A 12 3.605 6.082 -1.544 1.00 0.00 C ATOM 80 O ASN A 12 3.040 7.023 -1.018 1.00 0.00 O ATOM 81 CB ASN A 12 5.006 6.337 -3.769 1.00 0.00 C ATOM 82 CG ASN A 12 6.343 6.744 -4.373 1.00 0.00 C ATOM 83 OD1 ASN A 12 7.303 7.161 -3.716 1.00 0.00 O ATOM 84 ND2 ASN A 12 6.503 6.507 -5.665 1.00 0.00 N ATOM 0 H ASN A 12 6.329 4.755 -2.545 1.00 0.00 H new ATOM 0 HA ASN A 12 5.175 7.349 -1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.749 5.340 -4.127 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.236 7.016 -4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.409 6.669 -6.105 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.720 6.163 -6.221 1.00 0.00 H new ATOM 85 N PHE A 13 3.215 4.810 -1.400 1.00 0.00 N ATOM 86 CA PHE A 13 1.993 4.387 -0.683 1.00 0.00 C ATOM 87 C PHE A 13 2.079 4.904 0.793 1.00 0.00 C ATOM 88 O PHE A 13 1.140 5.510 1.280 1.00 0.00 O ATOM 89 CB PHE A 13 1.685 2.863 -0.717 1.00 0.00 C ATOM 90 CG PHE A 13 0.364 2.469 -0.151 1.00 0.00 C ATOM 91 CD1 PHE A 13 0.174 2.386 1.221 1.00 0.00 C ATOM 92 CD2 PHE A 13 -0.601 2.127 -1.080 1.00 0.00 C ATOM 93 CE1 PHE A 13 -1.127 1.976 1.704 1.00 0.00 C ATOM 94 CE2 PHE A 13 -1.847 1.627 -0.618 1.00 0.00 C ATOM 95 CZ PHE A 13 -2.096 1.599 0.754 1.00 0.00 C ATOM 0 H PHE A 13 3.745 4.027 -1.783 1.00 0.00 H new ATOM 0 HA PHE A 13 1.154 4.833 -1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.736 2.522 -1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.468 2.338 -0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.974 2.620 1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.411 2.238 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.348 1.960 2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.590 1.274 -1.318 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.067 1.277 1.100 1.00 0.00 H new ATOM 96 N ASN A 14 3.245 4.726 1.424 1.00 0.00 N ATOM 97 CA ASN A 14 3.495 5.119 2.818 1.00 0.00 C ATOM 98 C ASN A 14 3.626 6.666 2.953 1.00 0.00 C ATOM 99 O ASN A 14 3.294 7.197 3.995 1.00 0.00 O ATOM 100 CB ASN A 14 4.558 4.326 3.513 1.00 0.00 C ATOM 101 CG ASN A 14 4.155 2.856 3.552 1.00 0.00 C ATOM 102 OD1 ASN A 14 3.056 2.402 3.223 1.00 0.00 O ATOM 103 ND2 ASN A 14 5.035 2.036 4.046 1.00 0.00 N ATOM 0 H ASN A 14 4.055 4.298 0.975 1.00 0.00 H new ATOM 0 HA ASN A 14 2.606 4.840 3.384 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.509 4.439 2.993 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.702 4.701 4.526 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.808 1.047 4.152 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.953 2.381 4.327 1.00 0.00 H new ATOM 104 N VAL A 15 4.074 7.382 1.910 1.00 0.00 N ATOM 105 CA VAL A 15 4.007 8.886 1.905 1.00 0.00 C ATOM 106 C VAL A 15 2.496 9.248 1.817 1.00 0.00 C ATOM 107 O VAL A 15 2.066 10.047 2.647 1.00 0.00 O ATOM 108 CB VAL A 15 4.865 9.534 0.808 1.00 0.00 C ATOM 109 CG1 VAL A 15 4.777 11.076 0.815 1.00 0.00 C ATOM 110 CG2 VAL A 15 6.387 9.205 0.856 1.00 0.00 C ATOM 0 H VAL A 15 4.481 6.973 1.069 1.00 0.00 H new ATOM 0 HA VAL A 15 4.444 9.295 2.816 1.00 0.00 H new ATOM 0 HB VAL A 15 4.432 9.096 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.403 11.480 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.743 11.382 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.123 11.456 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.895 9.714 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.802 9.541 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.530 8.129 0.758 1.00 0.00 H new ATOM 111 N CYS A 16 1.703 8.555 0.992 1.00 0.00 N ATOM 112 CA CYS A 16 0.207 8.694 1.009 1.00 0.00 C ATOM 113 C CYS A 16 -0.405 8.451 2.398 1.00 0.00 C ATOM 114 O CYS A 16 -1.435 9.033 2.770 1.00 0.00 O ATOM 115 CB CYS A 16 -0.501 7.917 -0.125 1.00 0.00 C ATOM 116 SG CYS A 16 -2.325 7.945 0.043 1.00 0.00 S ATOM 0 H CYS A 16 2.051 7.891 0.301 1.00 0.00 H new ATOM 0 HA CYS A 16 0.012 9.743 0.788 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.221 8.347 -1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.155 6.884 -0.125 1.00 0.00 H new ATOM 117 N ARG A 17 0.287 7.656 3.196 1.00 0.00 N ATOM 118 CA ARG A 17 -0.128 7.334 4.619 1.00 0.00 C ATOM 119 C ARG A 17 0.785 7.894 5.690 1.00 0.00 C ATOM 120 O ARG A 17 0.593 7.521 6.854 1.00 0.00 O ATOM 121 CB ARG A 17 -0.376 5.841 4.682 1.00 0.00 C ATOM 122 CG ARG A 17 -1.816 5.279 4.627 1.00 0.00 C ATOM 123 CD ARG A 17 -2.783 5.682 5.761 1.00 0.00 C ATOM 124 NE ARG A 17 -2.583 4.787 6.917 1.00 0.00 N ATOM 125 CZ ARG A 17 -3.507 4.162 7.614 1.00 0.00 C ATOM 126 NH1 ARG A 17 -4.794 4.165 7.315 1.00 0.00 N ATOM 127 NH2 ARG A 17 -3.142 3.583 8.750 1.00 0.00 N ATOM 0 H ARG A 17 1.154 7.200 2.911 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.052 7.857 4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.177 5.389 3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.075 5.479 5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.261 5.586 3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.752 4.191 4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.607 6.717 6.054 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.814 5.620 5.414 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.618 4.636 7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.126 4.675 6.497 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.455 3.657 7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.171 3.631 9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.833 3.090 9.316 1.00 0.00 H new ATOM 128 N LEU A 18 1.536 8.955 5.389 1.00 0.00 N ATOM 129 CA LEU A 18 2.354 9.642 6.397 1.00 0.00 C ATOM 130 C LEU A 18 1.581 10.102 7.667 1.00 0.00 C ATOM 131 O LEU A 18 2.105 9.852 8.745 1.00 0.00 O ATOM 132 CB LEU A 18 3.148 10.816 5.768 1.00 0.00 C ATOM 133 CG LEU A 18 4.667 10.758 6.055 1.00 0.00 C ATOM 134 CD1 LEU A 18 4.967 11.047 7.540 1.00 0.00 C ATOM 135 CD2 LEU A 18 5.325 9.473 5.581 1.00 0.00 C ATOM 0 H LEU A 18 1.596 9.360 4.455 1.00 0.00 H new ATOM 0 HA LEU A 18 3.054 8.886 6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.990 10.814 4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.750 11.757 6.147 1.00 0.00 H new ATOM 0 HG LEU A 18 5.120 11.551 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.043 10.999 7.710 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.603 12.042 7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.468 10.305 8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.389 9.501 5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.866 8.622 6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.193 9.372 4.504 1.00 0.00 H new ATOM 136 N PRO A 19 0.342 10.629 7.565 1.00 0.00 N ATOM 137 CA PRO A 19 -0.513 10.861 8.764 1.00 0.00 C ATOM 138 C PRO A 19 -0.934 9.536 9.410 1.00 0.00 C ATOM 139 O PRO A 19 -0.536 9.222 10.537 1.00 0.00 O ATOM 140 CB PRO A 19 -1.713 11.670 8.264 1.00 0.00 C ATOM 141 CG PRO A 19 -1.765 11.385 6.745 1.00 0.00 C ATOM 142 CD PRO A 19 -0.311 11.223 6.371 1.00 0.00 C ATOM 0 HA PRO A 19 0.021 11.402 9.545 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.634 11.360 8.758 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.586 12.734 8.464 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.340 10.485 6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.232 12.204 6.198 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.199 10.577 5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.138 12.183 6.115 1.00 0.00 H new ATOM 143 N GLY A 20 -1.764 8.808 8.695 1.00 0.00 N ATOM 144 CA GLY A 20 -2.293 7.478 9.034 1.00 0.00 C ATOM 145 C GLY A 20 -3.830 7.430 8.985 1.00 0.00 C ATOM 146 O GLY A 20 -4.494 7.354 10.017 1.00 0.00 O ATOM 0 H GLY A 20 -2.119 9.140 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.887 6.741 8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.955 7.199 10.032 1.00 0.00 H new ATOM 147 N THR A 21 -4.351 7.608 7.767 1.00 0.00 N ATOM 148 CA THR A 21 -5.807 7.658 7.471 1.00 0.00 C ATOM 149 C THR A 21 -6.145 7.077 6.080 1.00 0.00 C ATOM 150 O THR A 21 -6.728 5.989 6.052 1.00 0.00 O ATOM 151 CB THR A 21 -6.379 9.021 7.885 1.00 0.00 C ATOM 152 OG1 THR A 21 -6.433 9.099 9.305 1.00 0.00 O ATOM 153 CG2 THR A 21 -7.748 9.238 7.247 1.00 0.00 C ATOM 0 H THR A 21 -3.771 7.725 6.936 1.00 0.00 H new ATOM 0 HA THR A 21 -6.369 6.965 8.097 1.00 0.00 H new ATOM 0 HB THR A 21 -5.729 9.819 7.527 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.869 8.398 9.693 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.141 10.209 7.550 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.652 9.208 6.162 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.430 8.453 7.573 1.00 0.00 H new ATOM 154 N PRO A 22 -5.821 7.724 4.933 1.00 0.00 N ATOM 155 CA PRO A 22 -6.434 7.342 3.666 1.00 0.00 C ATOM 156 C PRO A 22 -5.787 6.124 2.955 1.00 0.00 C ATOM 157 O PRO A 22 -5.462 6.176 1.762 1.00 0.00 O ATOM 158 CB PRO A 22 -6.339 8.608 2.806 1.00 0.00 C ATOM 159 CG PRO A 22 -5.015 9.212 3.240 1.00 0.00 C ATOM 160 CD PRO A 22 -4.993 8.915 4.744 1.00 0.00 C ATOM 0 HA PRO A 22 -7.454 6.999 3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.347 8.375 1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.172 9.286 2.991 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.171 8.754 2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.971 10.282 3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.975 8.741 5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.386 9.757 5.314 1.00 0.00 H new ATOM 161 N GLU A 23 -5.825 4.981 3.621 1.00 0.00 N ATOM 162 CA GLU A 23 -5.229 3.712 3.135 1.00 0.00 C ATOM 163 C GLU A 23 -5.738 3.321 1.725 1.00 0.00 C ATOM 164 O GLU A 23 -4.943 2.981 0.840 1.00 0.00 O ATOM 165 CB GLU A 23 -5.325 2.535 4.117 1.00 0.00 C ATOM 166 CG GLU A 23 -6.692 1.894 4.336 1.00 0.00 C ATOM 167 CD GLU A 23 -7.711 2.843 5.005 1.00 0.00 C ATOM 168 OE1 GLU A 23 -7.683 2.916 6.236 1.00 0.00 O ATOM 169 OE2 GLU A 23 -8.408 3.530 4.220 1.00 0.00 O ATOM 0 H GLU A 23 -6.275 4.890 4.532 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.164 3.932 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.643 1.757 3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.958 2.877 5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.089 1.564 3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.574 1.004 4.955 1.00 0.00 H new ATOM 170 N ALA A 24 -7.038 3.520 1.474 1.00 0.00 N ATOM 171 CA ALA A 24 -7.625 3.221 0.107 1.00 0.00 C ATOM 172 C ALA A 24 -7.304 4.268 -0.942 1.00 0.00 C ATOM 173 O ALA A 24 -7.025 3.883 -2.072 1.00 0.00 O ATOM 174 CB ALA A 24 -9.140 3.014 0.295 1.00 0.00 C ATOM 0 H ALA A 24 -7.707 3.874 2.157 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.163 2.317 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.600 2.796 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.312 2.180 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.582 3.919 0.711 1.00 0.00 H new ATOM 175 N LEU A 25 -7.193 5.534 -0.544 1.00 0.00 N ATOM 176 CA LEU A 25 -6.710 6.570 -1.475 1.00 0.00 C ATOM 177 C LEU A 25 -5.254 6.306 -1.894 1.00 0.00 C ATOM 178 O LEU A 25 -4.951 6.283 -3.078 1.00 0.00 O ATOM 179 CB LEU A 25 -6.860 7.989 -0.906 1.00 0.00 C ATOM 180 CG LEU A 25 -8.335 8.413 -0.794 1.00 0.00 C ATOM 181 CD1 LEU A 25 -8.449 9.738 -0.064 1.00 0.00 C ATOM 182 CD2 LEU A 25 -9.019 8.496 -2.163 1.00 0.00 C ATOM 0 H LEU A 25 -7.423 5.869 0.392 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.343 6.510 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.394 8.036 0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.328 8.694 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.851 7.643 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.498 10.025 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.031 9.639 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.900 10.504 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.058 8.799 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.503 9.228 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.983 7.520 -2.647 1.00 0.00 H new ATOM 183 N CYS A 26 -4.476 5.799 -0.949 1.00 0.00 N ATOM 184 CA CYS A 26 -3.108 5.238 -1.218 1.00 0.00 C ATOM 185 C CYS A 26 -3.185 4.093 -2.270 1.00 0.00 C ATOM 186 O CYS A 26 -2.442 4.200 -3.237 1.00 0.00 O ATOM 187 CB CYS A 26 -2.425 4.878 0.130 1.00 0.00 C ATOM 188 SG CYS A 26 -2.488 6.316 1.264 1.00 0.00 S ATOM 0 H CYS A 26 -4.750 5.753 0.032 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.458 5.980 -1.682 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.926 4.023 0.585 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.389 4.586 -0.044 1.00 0.00 H new ATOM 189 N ALA A 27 -4.154 3.169 -2.215 1.00 0.00 N ATOM 190 CA ALA A 27 -4.352 2.171 -3.360 1.00 0.00 C ATOM 191 C ALA A 27 -4.695 2.770 -4.695 1.00 0.00 C ATOM 192 O ALA A 27 -3.956 2.548 -5.653 1.00 0.00 O ATOM 193 CB ALA A 27 -5.313 1.026 -2.908 1.00 0.00 C ATOM 0 H ALA A 27 -4.807 3.064 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.373 1.737 -3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.449 0.320 -3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.884 0.508 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.278 1.450 -2.630 1.00 0.00 H new ATOM 194 N THR A 28 -5.664 3.673 -4.685 1.00 0.00 N ATOM 195 CA THR A 28 -6.128 4.379 -5.917 1.00 0.00 C ATOM 196 C THR A 28 -4.996 5.254 -6.524 1.00 0.00 C ATOM 197 O THR A 28 -4.790 5.240 -7.730 1.00 0.00 O ATOM 198 CB THR A 28 -7.327 5.197 -5.447 1.00 0.00 C ATOM 199 OG1 THR A 28 -8.372 4.377 -4.954 1.00 0.00 O ATOM 200 CG2 THR A 28 -7.949 6.101 -6.564 1.00 0.00 C ATOM 0 H THR A 28 -6.162 3.951 -3.839 1.00 0.00 H new ATOM 0 HA THR A 28 -6.403 3.699 -6.723 1.00 0.00 H new ATOM 0 HB THR A 28 -6.918 5.827 -4.657 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.162 4.093 -4.040 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.796 6.652 -6.156 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.198 6.804 -6.923 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.287 5.477 -7.391 1.00 0.00 H new ATOM 201 N TYR A 29 -4.250 5.935 -5.659 1.00 0.00 N ATOM 202 CA TYR A 29 -3.146 6.913 -6.024 1.00 0.00 C ATOM 203 C TYR A 29 -1.809 6.245 -6.417 1.00 0.00 C ATOM 204 O TYR A 29 -1.125 6.764 -7.290 1.00 0.00 O ATOM 205 CB TYR A 29 -3.069 8.036 -5.001 1.00 0.00 C ATOM 206 CG TYR A 29 -4.207 9.060 -5.125 1.00 0.00 C ATOM 207 CD1 TYR A 29 -5.579 8.702 -4.973 1.00 0.00 C ATOM 208 CD2 TYR A 29 -3.814 10.407 -5.142 1.00 0.00 C ATOM 209 CE1 TYR A 29 -6.523 9.712 -4.801 1.00 0.00 C ATOM 210 CE2 TYR A 29 -4.760 11.430 -4.977 1.00 0.00 C ATOM 211 CZ TYR A 29 -6.121 11.054 -4.800 1.00 0.00 C ATOM 212 OH TYR A 29 -7.034 12.018 -4.519 1.00 0.00 O ATOM 0 H TYR A 29 -4.374 5.843 -4.651 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.416 7.395 -6.964 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.086 7.606 -4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.115 8.551 -5.110 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.881 7.665 -4.991 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.773 10.659 -5.283 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.565 9.460 -4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.465 12.469 -4.984 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.603 12.897 -4.556 1.00 0.00 H new ATOM 213 N THR A 30 -1.441 5.085 -5.829 1.00 0.00 N ATOM 214 CA THR A 30 -0.138 4.466 -6.109 1.00 0.00 C ATOM 215 C THR A 30 -0.144 3.126 -6.845 1.00 0.00 C ATOM 216 O THR A 30 0.922 2.559 -7.101 1.00 0.00 O ATOM 217 CB THR A 30 0.727 4.327 -4.843 1.00 0.00 C ATOM 218 OG1 THR A 30 0.064 3.533 -3.863 1.00 0.00 O ATOM 219 CG2 THR A 30 1.155 5.699 -4.339 1.00 0.00 C ATOM 0 H THR A 30 -2.022 4.569 -5.168 1.00 0.00 H new ATOM 0 HA THR A 30 0.294 5.183 -6.807 1.00 0.00 H new ATOM 0 HB THR A 30 1.646 3.793 -5.085 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.848 3.868 -3.733 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.766 5.583 -3.444 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.735 6.206 -5.111 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.271 6.291 -4.101 1.00 0.00 H new ATOM 220 N GLY A 31 -1.331 2.659 -7.228 1.00 0.00 N ATOM 221 CA GLY A 31 -1.514 1.373 -7.956 1.00 0.00 C ATOM 222 C GLY A 31 -1.128 0.183 -7.076 1.00 0.00 C ATOM 223 O GLY A 31 -0.413 -0.720 -7.499 1.00 0.00 O ATOM 0 H GLY A 31 -2.205 3.153 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.553 1.274 -8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.905 1.373 -8.860 1.00 0.00 H new ATOM 224 N CYS A 32 -1.683 0.196 -5.871 1.00 0.00 N ATOM 225 CA CYS A 32 -1.486 -0.911 -4.876 1.00 0.00 C ATOM 226 C CYS A 32 -2.865 -1.536 -4.704 1.00 0.00 C ATOM 227 O CYS A 32 -3.906 -0.933 -4.965 1.00 0.00 O ATOM 228 CB CYS A 32 -0.964 -0.396 -3.557 1.00 0.00 C ATOM 229 SG CYS A 32 0.699 0.360 -3.669 1.00 0.00 S ATOM 0 H CYS A 32 -2.279 0.953 -5.535 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.744 -1.629 -5.224 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.663 0.342 -3.163 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.932 -1.219 -2.843 1.00 0.00 H new ATOM 230 N ILE A 33 -2.810 -2.734 -4.167 1.00 0.00 N ATOM 231 CA ILE A 33 -4.037 -3.517 -3.911 1.00 0.00 C ATOM 232 C ILE A 33 -4.226 -3.826 -2.416 1.00 0.00 C ATOM 233 O ILE A 33 -3.391 -4.467 -1.784 1.00 0.00 O ATOM 234 CB ILE A 33 -4.165 -4.742 -4.771 1.00 0.00 C ATOM 235 CG1 ILE A 33 -3.015 -5.748 -4.542 1.00 0.00 C ATOM 236 CG2 ILE A 33 -4.210 -4.378 -6.287 1.00 0.00 C ATOM 237 CD1 ILE A 33 -3.177 -7.169 -5.174 1.00 0.00 C ATOM 0 H ILE A 33 -1.945 -3.200 -3.895 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.862 -2.871 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.105 -5.209 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.097 -5.307 -4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.880 -5.869 -3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.303 -5.290 -6.877 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.066 -3.731 -6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.293 -3.858 -6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.302 -7.774 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.069 -7.648 -4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.274 -7.077 -6.256 1.00 0.00 H new ATOM 238 N ILE A 34 -5.350 -3.379 -1.840 1.00 0.00 N ATOM 239 CA ILE A 34 -5.685 -3.661 -0.452 1.00 0.00 C ATOM 240 C ILE A 34 -6.524 -4.966 -0.468 1.00 0.00 C ATOM 241 O ILE A 34 -7.628 -4.998 -1.034 1.00 0.00 O ATOM 242 CB ILE A 34 -6.342 -2.472 0.255 1.00 0.00 C ATOM 243 CG1 ILE A 34 -5.256 -1.407 0.479 1.00 0.00 C ATOM 244 CG2 ILE A 34 -6.965 -2.916 1.619 1.00 0.00 C ATOM 245 CD1 ILE A 34 -5.780 -0.068 1.000 1.00 0.00 C ATOM 0 H ILE A 34 -6.046 -2.814 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.793 -3.817 0.154 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.150 -2.069 -0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.523 -1.796 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.732 -1.237 -0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.427 -2.057 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.720 -3.682 1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.183 -3.320 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.947 0.623 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.489 0.348 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.277 -0.220 1.958 1.00 0.00 H new ATOM 246 N ILE A 35 -5.950 -6.038 0.088 1.00 0.00 N ATOM 247 CA ILE A 35 -6.479 -7.426 -0.018 1.00 0.00 C ATOM 248 C ILE A 35 -6.666 -8.031 1.378 1.00 0.00 C ATOM 249 O ILE A 35 -5.792 -7.862 2.235 1.00 0.00 O ATOM 250 CB ILE A 35 -5.554 -8.259 -0.951 1.00 0.00 C ATOM 251 CG1 ILE A 35 -4.032 -8.253 -0.668 1.00 0.00 C ATOM 252 CG2 ILE A 35 -5.668 -7.886 -2.422 1.00 0.00 C ATOM 253 CD1 ILE A 35 -3.529 -9.486 0.040 1.00 0.00 C ATOM 0 H ILE A 35 -5.091 -5.978 0.635 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.469 -7.428 -0.475 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.949 -9.248 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.499 -8.147 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.789 -7.378 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.993 -8.509 -3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.693 -8.043 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.400 -6.838 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.454 -9.401 0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.032 -9.584 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.737 -10.366 -0.569 1.00 0.00 H new ATOM 254 N PRO A 36 -7.813 -8.696 1.625 1.00 0.00 N ATOM 255 CA PRO A 36 -8.150 -9.335 2.917 1.00 0.00 C ATOM 256 C PRO A 36 -7.074 -10.245 3.511 1.00 0.00 C ATOM 257 O PRO A 36 -6.942 -10.390 4.725 1.00 0.00 O ATOM 258 CB PRO A 36 -9.420 -10.145 2.634 1.00 0.00 C ATOM 259 CG PRO A 36 -10.101 -9.328 1.562 1.00 0.00 C ATOM 260 CD PRO A 36 -8.948 -8.848 0.676 1.00 0.00 C ATOM 0 HA PRO A 36 -8.266 -8.556 3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.189 -11.153 2.290 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.042 -10.246 3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.816 -9.926 0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.653 -8.490 1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.720 -9.569 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.187 -7.905 0.184 1.00 0.00 H new ATOM 261 N GLY A 37 -6.333 -10.826 2.596 1.00 0.00 N ATOM 262 CA GLY A 37 -5.128 -11.644 2.825 1.00 0.00 C ATOM 263 C GLY A 37 -4.161 -10.879 3.743 1.00 0.00 C ATOM 264 O GLY A 37 -3.720 -9.751 3.424 1.00 0.00 O ATOM 0 H GLY A 37 -6.556 -10.745 1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.402 -12.596 3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.643 -11.871 1.876 1.00 0.00 H new ATOM 265 N ALA A 38 -3.797 -11.536 4.831 1.00 0.00 N ATOM 266 CA ALA A 38 -2.873 -10.990 5.846 1.00 0.00 C ATOM 267 C ALA A 38 -1.395 -10.962 5.397 1.00 0.00 C ATOM 268 O ALA A 38 -0.508 -10.431 6.068 1.00 0.00 O ATOM 269 CB ALA A 38 -3.009 -11.680 7.213 1.00 0.00 C ATOM 0 H ALA A 38 -4.131 -12.475 5.049 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.188 -9.953 5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.305 -11.236 7.916 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.025 -11.551 7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.794 -12.743 7.107 1.00 0.00 H new ATOM 270 N THR A 39 -1.179 -11.579 4.244 1.00 0.00 N ATOM 271 CA THR A 39 0.094 -11.492 3.461 1.00 0.00 C ATOM 272 C THR A 39 -0.246 -11.153 2.016 1.00 0.00 C ATOM 273 O THR A 39 -1.364 -11.346 1.529 1.00 0.00 O ATOM 274 CB THR A 39 0.944 -12.736 3.774 1.00 0.00 C ATOM 275 OG1 THR A 39 2.310 -12.340 3.798 1.00 0.00 O ATOM 276 CG2 THR A 39 0.864 -13.872 2.691 1.00 0.00 C ATOM 0 H THR A 39 -1.881 -12.170 3.799 1.00 0.00 H new ATOM 0 HA THR A 39 0.756 -10.674 3.744 1.00 0.00 H new ATOM 0 HB THR A 39 0.560 -13.128 4.716 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.872 -13.117 3.998 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.494 -14.709 2.994 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.168 -14.211 2.594 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.210 -13.486 1.732 1.00 0.00 H new ATOM 277 N CYS A 40 0.829 -10.767 1.332 1.00 0.00 N ATOM 278 CA CYS A 40 0.843 -10.185 -0.014 1.00 0.00 C ATOM 279 C CYS A 40 1.141 -11.220 -1.113 1.00 0.00 C ATOM 280 O CYS A 40 2.009 -12.095 -0.942 1.00 0.00 O ATOM 281 CB CYS A 40 1.759 -8.999 -0.028 1.00 0.00 C ATOM 282 SG CYS A 40 1.132 -7.560 0.885 1.00 0.00 S ATOM 0 H CYS A 40 1.768 -10.856 1.721 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.160 -9.834 -0.259 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.720 -9.292 0.394 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.941 -8.707 -1.062 1.00 0.00 H new ATOM 283 N PRO A 41 0.482 -11.067 -2.276 1.00 0.00 N ATOM 284 CA PRO A 41 0.744 -11.828 -3.511 1.00 0.00 C ATOM 285 C PRO A 41 2.243 -11.846 -3.846 1.00 0.00 C ATOM 286 O PRO A 41 2.902 -10.809 -3.732 1.00 0.00 O ATOM 287 CB PRO A 41 -0.001 -11.067 -4.595 1.00 0.00 C ATOM 288 CG PRO A 41 -1.201 -10.472 -3.852 1.00 0.00 C ATOM 289 CD PRO A 41 -0.620 -10.120 -2.488 1.00 0.00 C ATOM 0 HA PRO A 41 0.426 -12.866 -3.414 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.621 -10.290 -5.040 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.316 -11.726 -5.404 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.596 -9.593 -4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.020 -11.187 -3.770 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.262 -9.091 -2.467 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.373 -10.212 -1.705 1.00 0.00 H new ATOM 290 N GLY A 42 2.665 -12.944 -4.494 1.00 0.00 N ATOM 291 CA GLY A 42 4.053 -13.160 -4.957 1.00 0.00 C ATOM 292 C GLY A 42 4.583 -12.052 -5.887 1.00 0.00 C ATOM 293 O GLY A 42 5.789 -11.843 -5.954 1.00 0.00 O ATOM 0 H GLY A 42 2.044 -13.722 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.707 -13.235 -4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.106 -14.115 -5.480 1.00 0.00 H new ATOM 294 N ASP A 43 3.676 -11.360 -6.574 1.00 0.00 N ATOM 295 CA ASP A 43 4.008 -10.251 -7.457 1.00 0.00 C ATOM 296 C ASP A 43 3.715 -8.838 -6.892 1.00 0.00 C ATOM 297 O ASP A 43 3.953 -7.846 -7.564 1.00 0.00 O ATOM 298 CB ASP A 43 3.250 -10.414 -8.804 1.00 0.00 C ATOM 299 CG ASP A 43 1.711 -10.286 -8.714 1.00 0.00 C ATOM 300 OD1 ASP A 43 1.177 -10.705 -7.670 1.00 0.00 O ATOM 301 OD2 ASP A 43 1.131 -9.805 -9.689 1.00 0.00 O ATOM 0 H ASP A 43 2.677 -11.559 -6.530 1.00 0.00 H new ATOM 0 HA ASP A 43 5.089 -10.305 -7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.620 -9.665 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.493 -11.390 -9.224 1.00 0.00 H new ATOM 302 N TYR A 44 3.124 -8.804 -5.686 1.00 0.00 N ATOM 303 CA TYR A 44 2.748 -7.508 -5.039 1.00 0.00 C ATOM 304 C TYR A 44 3.292 -7.422 -3.596 1.00 0.00 C ATOM 305 O TYR A 44 2.814 -6.628 -2.779 1.00 0.00 O ATOM 306 CB TYR A 44 1.257 -7.240 -5.132 1.00 0.00 C ATOM 307 CG TYR A 44 0.754 -6.386 -6.264 1.00 0.00 C ATOM 308 CD1 TYR A 44 0.755 -6.990 -7.509 1.00 0.00 C ATOM 309 CD2 TYR A 44 0.153 -5.135 -6.022 1.00 0.00 C ATOM 310 CE1 TYR A 44 0.127 -6.334 -8.602 1.00 0.00 C ATOM 311 CE2 TYR A 44 -0.461 -4.472 -7.107 1.00 0.00 C ATOM 312 CZ TYR A 44 -0.468 -5.080 -8.373 1.00 0.00 C ATOM 313 OH TYR A 44 -1.034 -4.390 -9.414 1.00 0.00 O ATOM 0 H TYR A 44 2.895 -9.633 -5.138 1.00 0.00 H new ATOM 0 HA TYR A 44 3.228 -6.705 -5.598 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.749 -8.203 -5.191 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.945 -6.772 -4.198 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.228 -7.951 -7.649 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.162 -4.696 -5.035 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.107 -6.786 -9.583 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.921 -3.505 -6.965 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.401 -3.543 -9.084 1.00 0.00 H new ATOM 314 N ALA A 45 4.377 -8.158 -3.318 1.00 0.00 N ATOM 315 CA ALA A 45 5.019 -8.028 -2.021 1.00 0.00 C ATOM 316 C ALA A 45 6.378 -7.315 -2.040 1.00 0.00 C ATOM 317 O ALA A 45 7.447 -7.885 -2.217 1.00 0.00 O ATOM 318 CB ALA A 45 5.176 -9.450 -1.352 1.00 0.00 C ATOM 0 H ALA A 45 4.810 -8.826 -3.956 1.00 0.00 H new ATOM 0 HA ALA A 45 4.358 -7.389 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.658 -9.344 -0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.192 -9.901 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.786 -10.088 -1.992 1.00 0.00 H new ATOM 319 N ASN A 46 6.209 -5.993 -2.124 1.00 0.00 N ATOM 320 CA ASN A 46 7.266 -4.951 -2.126 1.00 0.00 C ATOM 321 C ASN A 46 8.630 -5.378 -2.750 1.00 0.00 C ATOM 322 O ASN A 46 8.835 -5.017 -3.913 1.00 0.00 O ATOM 323 CB ASN A 46 7.263 -4.391 -0.744 1.00 0.00 C ATOM 324 CG ASN A 46 5.985 -3.637 -0.396 1.00 0.00 C ATOM 325 OD1 ASN A 46 5.171 -3.268 -1.231 1.00 0.00 O ATOM 326 ND2 ASN A 46 5.736 -3.521 0.885 1.00 0.00 N ATOM 327 OXT ASN A 46 9.482 -5.845 -1.977 1.00 0.00 O ATOM 0 H ASN A 46 5.277 -5.585 -2.197 1.00 0.00 H new ATOM 0 HA ASN A 46 7.052 -4.149 -2.832 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.401 -5.204 -0.031 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.114 -3.719 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.853 -3.118 1.198 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.425 -3.834 1.569 1.00 0.00 H new TER 328 ASN A 46