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+ -170:sc= 0.884 (180deg=0.603) USER MOD Single : A 1 THR OG1 : rot -34:sc= 1.12 USER MOD Single : A 2 THR OG1 : rot 37:sc= 0.547 USER MOD Single : A 6 SER OG : rot 180:sc= 0.744 USER MOD Single : A 11 SER OG : rot -24:sc= 0.733 USER MOD Single : A 12 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.37) USER MOD Single : A 14 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.7!) USER MOD Single : A 21 THR OG1 : rot 143:sc= -0.867! USER MOD Single : A 28 THR OG1 : rot 86:sc= 0.00146 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -41:sc= 0.96 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= 0.901 K(o=0.9,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -5.009 -6.506 4.011 1.00 0.00 N ATOM 2 CA THR A 1 -3.563 -6.352 3.699 1.00 0.00 C ATOM 3 C THR A 1 -3.174 -5.642 2.415 1.00 0.00 C ATOM 4 O THR A 1 -3.650 -5.921 1.314 1.00 0.00 O ATOM 5 CB THR A 1 -2.861 -7.764 3.828 1.00 0.00 C ATOM 6 OG1 THR A 1 -3.119 -8.513 2.632 1.00 0.00 O ATOM 7 CG2 THR A 1 -3.235 -8.643 5.049 1.00 0.00 C ATOM 0 H1 THR A 1 -5.119 -6.852 4.985 1.00 0.00 H new ATOM 0 H2 THR A 1 -5.485 -5.586 3.915 1.00 0.00 H new ATOM 0 H3 THR A 1 -5.436 -7.187 3.351 1.00 0.00 H new ATOM 0 HA THR A 1 -3.198 -5.644 4.443 1.00 0.00 H new ATOM 0 HB THR A 1 -1.809 -7.525 3.983 1.00 0.00 H new ATOM 0 HG1 THR A 1 -4.013 -8.294 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 1 -2.679 -9.580 5.007 1.00 0.00 H new ATOM 0 HG22 THR A 1 -2.985 -8.114 5.969 1.00 0.00 H new ATOM 0 HG23 THR A 1 -4.304 -8.855 5.031 1.00 0.00 H new ATOM 8 N THR A 2 -2.488 -4.540 2.688 1.00 0.00 N ATOM 9 CA THR A 2 -1.975 -3.544 1.717 1.00 0.00 C ATOM 10 C THR A 2 -0.729 -4.116 1.062 1.00 0.00 C ATOM 11 O THR A 2 0.255 -4.463 1.711 1.00 0.00 O ATOM 12 CB THR A 2 -1.608 -2.309 2.527 1.00 0.00 C ATOM 13 OG1 THR A 2 -0.665 -2.652 3.563 1.00 0.00 O ATOM 14 CG2 THR A 2 -2.802 -1.622 3.205 1.00 0.00 C ATOM 0 H THR A 2 -2.253 -4.289 3.648 1.00 0.00 H new ATOM 0 HA THR A 2 -2.705 -3.302 0.945 1.00 0.00 H new ATOM 0 HB THR A 2 -1.186 -1.613 1.802 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.045 -3.333 3.229 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.453 -0.752 3.761 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.518 -1.305 2.447 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.283 -2.321 3.889 1.00 0.00 H new ATOM 15 N CYS A 3 -0.827 -4.239 -0.266 1.00 0.00 N ATOM 16 CA CYS A 3 0.176 -4.911 -1.082 1.00 0.00 C ATOM 17 C CYS A 3 0.496 -4.040 -2.303 1.00 0.00 C ATOM 18 O CYS A 3 -0.392 -3.566 -2.999 1.00 0.00 O ATOM 19 CB CYS A 3 -0.360 -6.292 -1.481 1.00 0.00 C ATOM 20 SG CYS A 3 -0.938 -7.255 -0.043 1.00 0.00 S ATOM 0 H CYS A 3 -1.612 -3.871 -0.803 1.00 0.00 H new ATOM 0 HA CYS A 3 1.103 -5.055 -0.527 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.181 -6.170 -2.187 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.423 -6.848 -1.996 1.00 0.00 H new ATOM 21 N CYS A 4 1.780 -3.705 -2.411 1.00 0.00 N ATOM 22 CA CYS A 4 2.324 -2.760 -3.425 1.00 0.00 C ATOM 23 C CYS A 4 3.355 -3.524 -4.248 1.00 0.00 C ATOM 24 O CYS A 4 4.203 -4.249 -3.684 1.00 0.00 O ATOM 25 CB CYS A 4 2.968 -1.598 -2.675 1.00 0.00 C ATOM 26 SG CYS A 4 1.803 -0.385 -1.999 1.00 0.00 S ATOM 0 H CYS A 4 2.498 -4.082 -1.792 1.00 0.00 H new ATOM 0 HA CYS A 4 1.554 -2.367 -4.089 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.567 -2.000 -1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.653 -1.085 -3.350 1.00 0.00 H new ATOM 27 N PRO A 5 3.313 -3.355 -5.577 1.00 0.00 N ATOM 28 CA PRO A 5 4.139 -4.172 -6.483 1.00 0.00 C ATOM 29 C PRO A 5 5.599 -3.731 -6.639 1.00 0.00 C ATOM 30 O PRO A 5 6.409 -4.532 -7.096 1.00 0.00 O ATOM 31 CB PRO A 5 3.335 -4.158 -7.786 1.00 0.00 C ATOM 32 CG PRO A 5 2.717 -2.760 -7.775 1.00 0.00 C ATOM 33 CD PRO A 5 2.337 -2.529 -6.313 1.00 0.00 C ATOM 0 HA PRO A 5 4.296 -5.175 -6.085 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.971 -4.314 -8.657 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.574 -4.938 -7.802 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.425 -2.009 -8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.845 -2.705 -8.427 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.412 -1.477 -6.039 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.312 -2.839 -6.109 1.00 0.00 H new ATOM 34 N SER A 6 5.958 -2.515 -6.235 1.00 0.00 N ATOM 35 CA SER A 6 7.367 -2.104 -6.261 1.00 0.00 C ATOM 36 C SER A 6 7.664 -1.369 -4.927 1.00 0.00 C ATOM 37 O SER A 6 6.768 -0.802 -4.324 1.00 0.00 O ATOM 38 CB SER A 6 7.714 -1.206 -7.440 1.00 0.00 C ATOM 39 OG SER A 6 7.298 0.141 -7.253 1.00 0.00 O ATOM 0 H SER A 6 5.310 -1.806 -5.891 1.00 0.00 H new ATOM 0 HA SER A 6 7.982 -2.996 -6.378 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.792 -1.229 -7.602 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.248 -1.603 -8.342 1.00 0.00 H new ATOM 0 HG SER A 6 7.547 0.672 -8.038 1.00 0.00 H new ATOM 40 N ILE A 7 8.938 -1.324 -4.550 1.00 0.00 N ATOM 41 CA ILE A 7 9.360 -0.660 -3.298 1.00 0.00 C ATOM 42 C ILE A 7 9.233 0.873 -3.460 1.00 0.00 C ATOM 43 O ILE A 7 8.965 1.578 -2.481 1.00 0.00 O ATOM 44 CB ILE A 7 10.753 -1.121 -2.820 1.00 0.00 C ATOM 45 CG1 ILE A 7 10.850 -2.680 -2.710 1.00 0.00 C ATOM 46 CG2 ILE A 7 11.140 -0.411 -1.513 1.00 0.00 C ATOM 47 CD1 ILE A 7 12.110 -3.272 -2.041 1.00 0.00 C ATOM 0 H ILE A 7 9.703 -1.735 -5.085 1.00 0.00 H new ATOM 0 HA ILE A 7 8.690 -0.965 -2.494 1.00 0.00 H new ATOM 0 HB ILE A 7 11.482 -0.830 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.979 -3.033 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.778 -3.093 -3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.125 -0.750 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.162 0.666 -1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.407 -0.645 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.041 -4.360 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.995 -2.968 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.184 -2.907 -1.017 1.00 0.00 H new ATOM 48 N VAL A 8 9.200 1.373 -4.708 1.00 0.00 N ATOM 49 CA VAL A 8 9.029 2.796 -5.047 1.00 0.00 C ATOM 50 C VAL A 8 7.521 3.073 -4.897 1.00 0.00 C ATOM 51 O VAL A 8 7.109 4.122 -4.396 1.00 0.00 O ATOM 52 CB VAL A 8 9.457 3.000 -6.492 1.00 0.00 C ATOM 53 CG1 VAL A 8 9.651 4.452 -6.819 1.00 0.00 C ATOM 54 CG2 VAL A 8 10.852 2.291 -6.788 1.00 0.00 C ATOM 0 H VAL A 8 9.294 0.780 -5.533 1.00 0.00 H new ATOM 0 HA VAL A 8 9.620 3.459 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 8 8.657 2.571 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.956 4.553 -7.861 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.715 4.989 -6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.422 4.871 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.130 2.455 -7.829 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.619 2.711 -6.137 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.763 1.221 -6.601 1.00 0.00 H new ATOM 55 N ALA A 9 6.674 2.112 -5.303 1.00 0.00 N ATOM 56 CA ALA A 9 5.218 2.241 -5.123 1.00 0.00 C ATOM 57 C ALA A 9 4.810 2.144 -3.652 1.00 0.00 C ATOM 58 O ALA A 9 4.015 2.978 -3.203 1.00 0.00 O ATOM 59 CB ALA A 9 4.434 1.227 -5.930 1.00 0.00 C ATOM 0 H ALA A 9 6.968 1.246 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 9 4.970 3.235 -5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.367 1.371 -5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.651 1.359 -6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.719 0.220 -5.624 1.00 0.00 H new ATOM 60 N ARG A 10 5.465 1.266 -2.887 1.00 0.00 N ATOM 61 CA ARG A 10 5.257 1.228 -1.421 1.00 0.00 C ATOM 62 C ARG A 10 5.819 2.513 -0.755 1.00 0.00 C ATOM 63 O ARG A 10 5.134 3.075 0.083 1.00 0.00 O ATOM 64 CB ARG A 10 5.842 -0.003 -0.729 1.00 0.00 C ATOM 65 CG ARG A 10 5.414 -0.051 0.756 1.00 0.00 C ATOM 66 CD ARG A 10 3.922 -0.086 0.991 1.00 0.00 C ATOM 67 NE ARG A 10 3.586 -1.155 1.948 1.00 0.00 N ATOM 68 CZ ARG A 10 2.921 -2.306 1.764 1.00 0.00 C ATOM 69 NH1 ARG A 10 2.517 -2.659 0.559 1.00 0.00 N ATOM 70 NH2 ARG A 10 2.735 -3.144 2.773 1.00 0.00 N ATOM 0 H ARG A 10 6.133 0.581 -3.241 1.00 0.00 H new ATOM 0 HA ARG A 10 4.177 1.169 -1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.507 -0.906 -1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.930 0.017 -0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.860 -0.932 1.218 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.826 0.820 1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.584 0.876 1.375 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.401 -0.254 0.048 1.00 0.00 H new ATOM 0 HE ARG A 10 3.910 -0.995 2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.710 -2.056 -0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.012 -3.535 0.427 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.098 -2.916 3.699 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.228 -4.017 2.624 1.00 0.00 H new ATOM 71 N SER A 11 6.957 3.016 -1.213 1.00 0.00 N ATOM 72 CA SER A 11 7.506 4.275 -0.663 1.00 0.00 C ATOM 73 C SER A 11 6.552 5.456 -0.901 1.00 0.00 C ATOM 74 O SER A 11 6.120 6.087 0.060 1.00 0.00 O ATOM 75 CB SER A 11 8.933 4.613 -1.125 1.00 0.00 C ATOM 76 OG SER A 11 8.986 4.897 -2.529 1.00 0.00 O ATOM 0 H SER A 11 7.519 2.591 -1.950 1.00 0.00 H new ATOM 0 HA SER A 11 7.589 4.097 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.301 5.473 -0.566 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.596 3.778 -0.898 1.00 0.00 H new ATOM 0 HG SER A 11 8.227 4.470 -2.978 1.00 0.00 H new ATOM 77 N ASN A 12 6.059 5.551 -2.124 1.00 0.00 N ATOM 78 CA ASN A 12 4.948 6.461 -2.517 1.00 0.00 C ATOM 79 C ASN A 12 3.684 6.190 -1.684 1.00 0.00 C ATOM 80 O ASN A 12 3.113 7.129 -1.120 1.00 0.00 O ATOM 81 CB ASN A 12 4.786 6.371 -4.014 1.00 0.00 C ATOM 82 CG ASN A 12 5.998 6.859 -4.833 1.00 0.00 C ATOM 83 OD1 ASN A 12 6.986 7.371 -4.342 1.00 0.00 O ATOM 84 ND2 ASN A 12 5.981 6.573 -6.115 1.00 0.00 N ATOM 0 H ASN A 12 6.413 4.995 -2.902 1.00 0.00 H new ATOM 0 HA ASN A 12 5.173 7.502 -2.287 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.581 5.334 -4.280 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.912 6.954 -4.305 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.794 6.780 -6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.155 6.144 -6.531 1.00 0.00 H new ATOM 85 N PHE A 13 3.358 4.916 -1.443 1.00 0.00 N ATOM 86 CA PHE A 13 2.188 4.480 -0.662 1.00 0.00 C ATOM 87 C PHE A 13 2.323 4.962 0.792 1.00 0.00 C ATOM 88 O PHE A 13 1.393 5.600 1.309 1.00 0.00 O ATOM 89 CB PHE A 13 1.926 2.959 -0.740 1.00 0.00 C ATOM 90 CG PHE A 13 0.613 2.508 -0.195 1.00 0.00 C ATOM 91 CD1 PHE A 13 0.403 2.341 1.183 1.00 0.00 C ATOM 92 CD2 PHE A 13 -0.350 2.192 -1.140 1.00 0.00 C ATOM 93 CE1 PHE A 13 -0.886 1.858 1.624 1.00 0.00 C ATOM 94 CE2 PHE A 13 -1.581 1.674 -0.724 1.00 0.00 C ATOM 95 CZ PHE A 13 -1.843 1.514 0.635 1.00 0.00 C ATOM 0 H PHE A 13 3.914 4.136 -1.794 1.00 0.00 H new ATOM 0 HA PHE A 13 1.309 4.942 -1.112 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.993 2.649 -1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.721 2.442 -0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.183 2.567 1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.151 2.345 -2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.114 1.762 2.675 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.327 1.399 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.799 1.118 0.943 1.00 0.00 H new ATOM 96 N ASN A 14 3.500 4.811 1.403 1.00 0.00 N ATOM 97 CA ASN A 14 3.770 5.335 2.774 1.00 0.00 C ATOM 98 C ASN A 14 3.939 6.857 2.791 1.00 0.00 C ATOM 99 O ASN A 14 3.663 7.433 3.845 1.00 0.00 O ATOM 100 CB ASN A 14 4.909 4.621 3.412 1.00 0.00 C ATOM 101 CG ASN A 14 4.786 3.091 3.450 1.00 0.00 C ATOM 102 OD1 ASN A 14 5.621 2.334 2.985 1.00 0.00 O ATOM 103 ND2 ASN A 14 3.735 2.650 4.072 1.00 0.00 N ATOM 0 H ASN A 14 4.294 4.330 0.981 1.00 0.00 H new ATOM 0 HA ASN A 14 2.889 5.128 3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.824 4.882 2.880 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.019 4.986 4.433 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.591 1.646 4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.053 3.307 4.451 1.00 0.00 H new ATOM 104 N VAL A 15 4.311 7.531 1.688 1.00 0.00 N ATOM 105 CA VAL A 15 4.267 9.028 1.635 1.00 0.00 C ATOM 106 C VAL A 15 2.769 9.403 1.606 1.00 0.00 C ATOM 107 O VAL A 15 2.372 10.227 2.418 1.00 0.00 O ATOM 108 CB VAL A 15 5.067 9.630 0.494 1.00 0.00 C ATOM 109 CG1 VAL A 15 5.042 11.179 0.473 1.00 0.00 C ATOM 110 CG2 VAL A 15 6.590 9.277 0.486 1.00 0.00 C ATOM 0 H VAL A 15 4.641 7.087 0.831 1.00 0.00 H new ATOM 0 HA VAL A 15 4.759 9.455 2.509 1.00 0.00 H new ATOM 0 HB VAL A 15 4.562 9.188 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.634 11.541 -0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.014 11.525 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.461 11.562 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.070 9.755 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.051 9.633 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.713 8.196 0.413 1.00 0.00 H new ATOM 111 N CYS A 16 1.946 8.664 0.826 1.00 0.00 N ATOM 112 CA CYS A 16 0.460 8.772 0.909 1.00 0.00 C ATOM 113 C CYS A 16 -0.041 8.673 2.364 1.00 0.00 C ATOM 114 O CYS A 16 -0.936 9.411 2.760 1.00 0.00 O ATOM 115 CB CYS A 16 -0.319 7.862 -0.064 1.00 0.00 C ATOM 116 SG CYS A 16 -2.125 7.884 0.221 1.00 0.00 S ATOM 0 H CYS A 16 2.277 7.990 0.136 1.00 0.00 H new ATOM 0 HA CYS A 16 0.230 9.776 0.553 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.115 8.176 -1.088 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.046 6.839 0.034 1.00 0.00 H new ATOM 117 N ARG A 17 0.664 7.866 3.163 1.00 0.00 N ATOM 118 CA ARG A 17 0.321 7.649 4.576 1.00 0.00 C ATOM 119 C ARG A 17 1.323 8.140 5.629 1.00 0.00 C ATOM 120 O ARG A 17 1.331 7.689 6.754 1.00 0.00 O ATOM 121 CB ARG A 17 -0.018 6.157 4.578 1.00 0.00 C ATOM 122 CG ARG A 17 -0.772 5.591 5.837 1.00 0.00 C ATOM 123 CD ARG A 17 -0.229 4.324 6.549 1.00 0.00 C ATOM 124 NE ARG A 17 1.140 4.604 7.005 1.00 0.00 N ATOM 125 CZ ARG A 17 2.184 3.786 6.883 1.00 0.00 C ATOM 126 NH1 ARG A 17 2.055 2.551 6.422 1.00 0.00 N ATOM 127 NH2 ARG A 17 3.415 4.296 6.925 1.00 0.00 N ATOM 0 H ARG A 17 1.485 7.346 2.853 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.503 8.278 4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.626 5.948 3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.912 5.600 4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.814 6.389 6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.798 5.381 5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.865 4.061 7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.236 3.473 5.868 1.00 0.00 H new ATOM 0 HE ARG A 17 1.305 5.505 7.455 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.136 2.202 6.149 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.874 1.949 6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.547 5.300 7.049 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.225 3.682 6.833 1.00 0.00 H new ATOM 128 N LEU A 18 2.006 9.235 5.256 1.00 0.00 N ATOM 129 CA LEU A 18 2.654 10.077 6.289 1.00 0.00 C ATOM 130 C LEU A 18 1.582 10.766 7.152 1.00 0.00 C ATOM 131 O LEU A 18 1.630 10.593 8.363 1.00 0.00 O ATOM 132 CB LEU A 18 3.714 11.030 5.740 1.00 0.00 C ATOM 133 CG LEU A 18 4.995 10.297 5.328 1.00 0.00 C ATOM 134 CD1 LEU A 18 5.910 11.246 4.568 1.00 0.00 C ATOM 135 CD2 LEU A 18 5.725 9.685 6.537 1.00 0.00 C ATOM 0 H LEU A 18 2.125 9.552 4.294 1.00 0.00 H new ATOM 0 HA LEU A 18 3.230 9.418 6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.310 11.563 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.953 11.779 6.495 1.00 0.00 H new ATOM 0 HG LEU A 18 4.714 9.470 4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.819 10.720 4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.399 11.607 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.168 12.091 5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.627 9.176 6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.996 10.476 7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.070 8.970 7.034 1.00 0.00 H new ATOM 136 N PRO A 19 0.544 11.396 6.577 1.00 0.00 N ATOM 137 CA PRO A 19 -0.657 11.777 7.366 1.00 0.00 C ATOM 138 C PRO A 19 -1.509 10.531 7.664 1.00 0.00 C ATOM 139 O PRO A 19 -1.245 9.445 7.162 1.00 0.00 O ATOM 140 CB PRO A 19 -1.373 12.816 6.498 1.00 0.00 C ATOM 141 CG PRO A 19 -0.984 12.478 5.078 1.00 0.00 C ATOM 142 CD PRO A 19 0.427 11.902 5.186 1.00 0.00 C ATOM 0 HA PRO A 19 -0.426 12.197 8.345 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.453 12.766 6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.066 13.828 6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.673 11.756 4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.002 13.363 4.442 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.580 11.101 4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.179 12.664 4.981 1.00 0.00 H new ATOM 143 N GLY A 20 -2.567 10.737 8.433 1.00 0.00 N ATOM 144 CA GLY A 20 -3.508 9.708 8.912 1.00 0.00 C ATOM 145 C GLY A 20 -4.517 9.223 7.843 1.00 0.00 C ATOM 146 O GLY A 20 -5.627 8.815 8.133 1.00 0.00 O ATOM 0 H GLY A 20 -2.815 11.670 8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.939 8.851 9.273 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.061 10.105 9.763 1.00 0.00 H new ATOM 147 N THR A 21 -4.055 9.330 6.603 1.00 0.00 N ATOM 148 CA THR A 21 -4.762 8.958 5.348 1.00 0.00 C ATOM 149 C THR A 21 -5.273 7.502 5.419 1.00 0.00 C ATOM 150 O THR A 21 -4.464 6.589 5.617 1.00 0.00 O ATOM 151 CB THR A 21 -3.802 9.033 4.166 1.00 0.00 C ATOM 152 OG1 THR A 21 -2.931 10.159 4.314 1.00 0.00 O ATOM 153 CG2 THR A 21 -4.566 9.117 2.869 1.00 0.00 C ATOM 0 H THR A 21 -3.122 9.699 6.418 1.00 0.00 H new ATOM 0 HA THR A 21 -5.595 9.650 5.225 1.00 0.00 H new ATOM 0 HB THR A 21 -3.198 8.126 4.145 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.037 9.927 3.985 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.865 9.170 2.036 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.194 8.233 2.759 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.192 10.009 2.873 1.00 0.00 H new ATOM 154 N PRO A 22 -6.521 7.290 5.033 1.00 0.00 N ATOM 155 CA PRO A 22 -7.042 5.915 4.848 1.00 0.00 C ATOM 156 C PRO A 22 -6.246 5.197 3.769 1.00 0.00 C ATOM 157 O PRO A 22 -6.070 5.691 2.652 1.00 0.00 O ATOM 158 CB PRO A 22 -8.501 6.096 4.401 1.00 0.00 C ATOM 159 CG PRO A 22 -8.883 7.448 5.000 1.00 0.00 C ATOM 160 CD PRO A 22 -7.605 8.282 4.875 1.00 0.00 C ATOM 0 HA PRO A 22 -6.965 5.319 5.757 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -8.593 6.096 3.315 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -9.139 5.295 4.774 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.712 7.904 4.459 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -9.196 7.350 6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.549 8.786 3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.555 9.055 5.642 1.00 0.00 H new ATOM 161 N GLU A 23 -5.867 3.975 4.112 1.00 0.00 N ATOM 162 CA GLU A 23 -5.030 3.064 3.308 1.00 0.00 C ATOM 163 C GLU A 23 -5.537 2.922 1.840 1.00 0.00 C ATOM 164 O GLU A 23 -4.751 2.805 0.917 1.00 0.00 O ATOM 165 CB GLU A 23 -4.968 1.643 3.882 1.00 0.00 C ATOM 166 CG GLU A 23 -4.240 1.606 5.234 1.00 0.00 C ATOM 167 CD GLU A 23 -5.203 1.562 6.417 1.00 0.00 C ATOM 168 OE1 GLU A 23 -5.937 2.565 6.593 1.00 0.00 O ATOM 169 OE2 GLU A 23 -5.272 0.483 7.051 1.00 0.00 O ATOM 0 H GLU A 23 -6.143 3.560 5.002 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.044 3.527 3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.979 1.255 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.458 0.988 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.588 0.733 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.601 2.485 5.323 1.00 0.00 H new ATOM 170 N ALA A 24 -6.856 2.955 1.682 1.00 0.00 N ATOM 171 CA ALA A 24 -7.509 2.813 0.329 1.00 0.00 C ATOM 172 C ALA A 24 -7.233 3.974 -0.616 1.00 0.00 C ATOM 173 O ALA A 24 -6.997 3.764 -1.796 1.00 0.00 O ATOM 174 CB ALA A 24 -9.001 2.554 0.512 1.00 0.00 C ATOM 0 H ALA A 24 -7.514 3.077 2.452 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.054 1.955 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.475 2.451 -0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.144 1.637 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.452 3.389 1.048 1.00 0.00 H new ATOM 175 N LEU A 25 -7.132 5.178 -0.049 1.00 0.00 N ATOM 176 CA LEU A 25 -6.717 6.374 -0.817 1.00 0.00 C ATOM 177 C LEU A 25 -5.310 6.177 -1.410 1.00 0.00 C ATOM 178 O LEU A 25 -5.137 6.250 -2.618 1.00 0.00 O ATOM 179 CB LEU A 25 -6.762 7.648 0.037 1.00 0.00 C ATOM 180 CG LEU A 25 -8.159 8.281 0.079 1.00 0.00 C ATOM 181 CD1 LEU A 25 -9.155 7.474 0.888 1.00 0.00 C ATOM 182 CD2 LEU A 25 -8.028 9.677 0.661 1.00 0.00 C ATOM 0 H LEU A 25 -7.329 5.360 0.935 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.430 6.498 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.443 7.412 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.051 8.372 -0.360 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.548 8.310 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.123 7.975 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.257 6.480 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.802 7.386 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.010 10.148 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.614 9.614 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.365 10.272 0.033 1.00 0.00 H new ATOM 183 N CYS A 26 -4.433 5.649 -0.576 1.00 0.00 N ATOM 184 CA CYS A 26 -3.049 5.194 -0.980 1.00 0.00 C ATOM 185 C CYS A 26 -3.128 4.133 -2.097 1.00 0.00 C ATOM 186 O CYS A 26 -2.435 4.318 -3.108 1.00 0.00 O ATOM 187 CB CYS A 26 -2.250 4.830 0.301 1.00 0.00 C ATOM 188 SG CYS A 26 -2.277 6.256 1.438 1.00 0.00 S ATOM 0 H CYS A 26 -4.630 5.509 0.415 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.470 5.989 -1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.687 3.955 0.783 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.223 4.572 0.044 1.00 0.00 H new ATOM 189 N ALA A 27 -4.041 3.137 -2.056 1.00 0.00 N ATOM 190 CA ALA A 27 -4.209 2.194 -3.243 1.00 0.00 C ATOM 191 C ALA A 27 -4.629 2.846 -4.536 1.00 0.00 C ATOM 192 O ALA A 27 -3.980 2.680 -5.562 1.00 0.00 O ATOM 193 CB ALA A 27 -5.116 0.995 -2.857 1.00 0.00 C ATOM 0 H ALA A 27 -4.658 2.949 -1.266 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.209 1.824 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.226 0.331 -3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.663 0.448 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.096 1.363 -2.555 1.00 0.00 H new ATOM 194 N THR A 28 -5.634 3.726 -4.412 1.00 0.00 N ATOM 195 CA THR A 28 -6.207 4.489 -5.553 1.00 0.00 C ATOM 196 C THR A 28 -5.184 5.502 -6.123 1.00 0.00 C ATOM 197 O THR A 28 -4.993 5.595 -7.332 1.00 0.00 O ATOM 198 CB THR A 28 -7.460 5.108 -4.949 1.00 0.00 C ATOM 199 OG1 THR A 28 -8.470 4.145 -4.669 1.00 0.00 O ATOM 200 CG2 THR A 28 -8.110 6.220 -5.823 1.00 0.00 C ATOM 0 H THR A 28 -6.080 3.936 -3.519 1.00 0.00 H new ATOM 0 HA THR A 28 -6.452 3.887 -6.428 1.00 0.00 H new ATOM 0 HB THR A 28 -7.091 5.555 -4.026 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.317 3.760 -3.781 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.996 6.607 -5.320 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.395 7.029 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.394 5.804 -6.789 1.00 0.00 H new ATOM 201 N TYR A 29 -4.534 6.262 -5.232 1.00 0.00 N ATOM 202 CA TYR A 29 -3.536 7.348 -5.535 1.00 0.00 C ATOM 203 C TYR A 29 -2.175 6.879 -6.025 1.00 0.00 C ATOM 204 O TYR A 29 -1.589 7.585 -6.849 1.00 0.00 O ATOM 205 CB TYR A 29 -3.508 8.373 -4.396 1.00 0.00 C ATOM 206 CG TYR A 29 -4.733 9.281 -4.344 1.00 0.00 C ATOM 207 CD1 TYR A 29 -6.056 8.795 -4.185 1.00 0.00 C ATOM 208 CD2 TYR A 29 -4.429 10.656 -4.206 1.00 0.00 C ATOM 209 CE1 TYR A 29 -7.099 9.687 -3.867 1.00 0.00 C ATOM 210 CE2 TYR A 29 -5.469 11.555 -3.875 1.00 0.00 C ATOM 211 CZ TYR A 29 -6.773 11.070 -3.725 1.00 0.00 C ATOM 212 OH TYR A 29 -7.762 11.918 -3.366 1.00 0.00 O ATOM 0 H TYR A 29 -4.682 6.148 -4.229 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.894 7.864 -6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.421 7.843 -3.447 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.616 8.990 -4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.264 7.742 -4.308 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.420 11.013 -4.351 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.112 9.336 -3.735 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.259 12.606 -3.739 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.405 12.829 -3.304 1.00 0.00 H new ATOM 213 N THR A 30 -1.658 5.748 -5.543 1.00 0.00 N ATOM 214 CA THR A 30 -0.316 5.289 -5.997 1.00 0.00 C ATOM 215 C THR A 30 -0.112 3.773 -6.164 1.00 0.00 C ATOM 216 O THR A 30 0.884 3.164 -5.782 1.00 0.00 O ATOM 217 CB THR A 30 0.869 6.070 -5.384 1.00 0.00 C ATOM 218 OG1 THR A 30 2.121 5.454 -5.732 1.00 0.00 O ATOM 219 CG2 THR A 30 0.787 6.398 -3.891 1.00 0.00 C ATOM 0 H THR A 30 -2.117 5.142 -4.863 1.00 0.00 H new ATOM 0 HA THR A 30 -0.312 5.592 -7.044 1.00 0.00 H new ATOM 0 HB THR A 30 0.800 7.055 -5.845 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.032 4.479 -5.679 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.679 6.946 -3.589 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.096 7.009 -3.701 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.719 5.473 -3.318 1.00 0.00 H new ATOM 220 N GLY A 31 -1.092 3.234 -6.898 1.00 0.00 N ATOM 221 CA GLY A 31 -1.014 1.924 -7.606 1.00 0.00 C ATOM 222 C GLY A 31 -0.616 0.735 -6.731 1.00 0.00 C ATOM 223 O GLY A 31 0.407 0.084 -6.985 1.00 0.00 O ATOM 0 H GLY A 31 -1.991 3.699 -7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.984 1.714 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.296 2.012 -8.421 1.00 0.00 H new ATOM 224 N CYS A 32 -1.483 0.402 -5.804 1.00 0.00 N ATOM 225 CA CYS A 32 -1.320 -0.786 -4.911 1.00 0.00 C ATOM 226 C CYS A 32 -2.719 -1.398 -4.783 1.00 0.00 C ATOM 227 O CYS A 32 -3.740 -0.792 -5.121 1.00 0.00 O ATOM 228 CB CYS A 32 -0.795 -0.314 -3.597 1.00 0.00 C ATOM 229 SG CYS A 32 0.905 0.395 -3.661 1.00 0.00 S ATOM 0 H CYS A 32 -2.336 0.932 -5.625 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.621 -1.529 -5.294 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.474 0.440 -3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.800 -1.150 -2.897 1.00 0.00 H new ATOM 230 N ILE A 33 -2.714 -2.590 -4.233 1.00 0.00 N ATOM 231 CA ILE A 33 -3.948 -3.354 -3.966 1.00 0.00 C ATOM 232 C ILE A 33 -4.089 -3.715 -2.477 1.00 0.00 C ATOM 233 O ILE A 33 -3.120 -4.115 -1.828 1.00 0.00 O ATOM 234 CB ILE A 33 -4.093 -4.583 -4.843 1.00 0.00 C ATOM 235 CG1 ILE A 33 -2.964 -5.587 -4.583 1.00 0.00 C ATOM 236 CG2 ILE A 33 -4.117 -4.200 -6.353 1.00 0.00 C ATOM 237 CD1 ILE A 33 -3.112 -7.020 -5.214 1.00 0.00 C ATOM 0 H ILE A 33 -1.861 -3.073 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.769 -2.687 -4.230 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.044 -5.050 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.035 -5.152 -4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.858 -5.703 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.222 -5.102 -6.956 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.959 -3.535 -6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.187 -3.695 -6.615 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.244 -7.625 -4.951 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.015 -7.495 -4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.179 -6.935 -6.299 1.00 0.00 H new ATOM 238 N ILE A 34 -5.294 -3.583 -1.964 1.00 0.00 N ATOM 239 CA ILE A 34 -5.628 -3.941 -0.568 1.00 0.00 C ATOM 240 C ILE A 34 -6.532 -5.204 -0.676 1.00 0.00 C ATOM 241 O ILE A 34 -7.601 -5.148 -1.264 1.00 0.00 O ATOM 242 CB ILE A 34 -6.271 -2.757 0.121 1.00 0.00 C ATOM 243 CG1 ILE A 34 -5.180 -1.707 0.326 1.00 0.00 C ATOM 244 CG2 ILE A 34 -6.884 -3.170 1.514 1.00 0.00 C ATOM 245 CD1 ILE A 34 -5.672 -0.336 0.775 1.00 0.00 C ATOM 0 H ILE A 34 -6.088 -3.223 -2.494 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.763 -4.178 0.051 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.086 -2.369 -0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.473 -2.081 1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.631 -1.590 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.339 -2.298 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.643 -3.938 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.095 -3.560 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.821 0.336 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.354 0.069 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.193 -0.430 1.728 1.00 0.00 H new ATOM 246 N ILE A 35 -5.992 -6.320 -0.212 1.00 0.00 N ATOM 247 CA ILE A 35 -6.626 -7.666 -0.347 1.00 0.00 C ATOM 248 C ILE A 35 -6.662 -8.320 1.031 1.00 0.00 C ATOM 249 O ILE A 35 -5.693 -8.152 1.775 1.00 0.00 O ATOM 250 CB ILE A 35 -5.839 -8.481 -1.419 1.00 0.00 C ATOM 251 CG1 ILE A 35 -4.319 -8.442 -1.309 1.00 0.00 C ATOM 252 CG2 ILE A 35 -6.092 -8.078 -2.873 1.00 0.00 C ATOM 253 CD1 ILE A 35 -3.772 -9.564 -0.425 1.00 0.00 C ATOM 0 H ILE A 35 -5.096 -6.341 0.275 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.657 -7.609 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.237 -9.469 -1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.883 -8.522 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.011 -7.479 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.496 -8.707 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.149 -8.205 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.812 -7.034 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.685 -9.493 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.185 -9.470 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.055 -10.529 -0.845 1.00 0.00 H new ATOM 254 N PRO A 36 -7.768 -8.981 1.421 1.00 0.00 N ATOM 255 CA PRO A 36 -7.868 -9.610 2.758 1.00 0.00 C ATOM 256 C PRO A 36 -6.738 -10.617 2.994 1.00 0.00 C ATOM 257 O PRO A 36 -5.797 -10.275 3.693 1.00 0.00 O ATOM 258 CB PRO A 36 -9.319 -10.103 2.847 1.00 0.00 C ATOM 259 CG PRO A 36 -9.678 -10.375 1.383 1.00 0.00 C ATOM 260 CD PRO A 36 -8.972 -9.259 0.613 1.00 0.00 C ATOM 0 HA PRO A 36 -7.698 -8.937 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.404 -11.002 3.457 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.974 -9.353 3.291 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.334 -11.359 1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.756 -10.348 1.225 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.712 -9.573 -0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.604 -8.376 0.520 1.00 0.00 H new ATOM 261 N GLY A 37 -6.764 -11.698 2.203 1.00 0.00 N ATOM 262 CA GLY A 37 -5.708 -12.723 2.031 1.00 0.00 C ATOM 263 C GLY A 37 -5.187 -13.448 3.287 1.00 0.00 C ATOM 264 O GLY A 37 -5.128 -14.666 3.320 1.00 0.00 O ATOM 0 H GLY A 37 -7.578 -11.900 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.086 -13.479 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.857 -12.246 1.544 1.00 0.00 H new ATOM 265 N ALA A 38 -4.631 -12.604 4.158 1.00 0.00 N ATOM 266 CA ALA A 38 -3.829 -12.815 5.383 1.00 0.00 C ATOM 267 C ALA A 38 -2.368 -12.368 5.207 1.00 0.00 C ATOM 268 O ALA A 38 -1.684 -12.058 6.163 1.00 0.00 O ATOM 269 CB ALA A 38 -3.893 -14.255 5.965 1.00 0.00 C ATOM 0 H ALA A 38 -4.747 -11.603 4.002 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.307 -12.173 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.275 -14.313 6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.924 -14.499 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.525 -14.964 5.223 1.00 0.00 H new ATOM 270 N THR A 39 -2.010 -12.211 3.917 1.00 0.00 N ATOM 271 CA THR A 39 -0.684 -11.715 3.463 1.00 0.00 C ATOM 272 C THR A 39 -0.805 -11.270 1.996 1.00 0.00 C ATOM 273 O THR A 39 -1.786 -11.557 1.299 1.00 0.00 O ATOM 274 CB THR A 39 0.318 -12.810 3.786 1.00 0.00 C ATOM 275 OG1 THR A 39 1.583 -12.208 4.132 1.00 0.00 O ATOM 276 CG2 THR A 39 0.668 -13.794 2.621 1.00 0.00 C ATOM 0 H THR A 39 -2.640 -12.427 3.145 1.00 0.00 H new ATOM 0 HA THR A 39 -0.321 -10.822 3.972 1.00 0.00 H new ATOM 0 HB THR A 39 -0.170 -13.374 4.581 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.233 -12.911 4.343 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.392 -14.530 2.971 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.237 -14.304 2.291 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.094 -13.235 1.788 1.00 0.00 H new ATOM 277 N CYS A 40 0.290 -10.671 1.567 1.00 0.00 N ATOM 278 CA CYS A 40 0.509 -10.118 0.230 1.00 0.00 C ATOM 279 C CYS A 40 0.931 -11.192 -0.790 1.00 0.00 C ATOM 280 O CYS A 40 1.732 -12.072 -0.498 1.00 0.00 O ATOM 281 CB CYS A 40 1.456 -8.945 0.289 1.00 0.00 C ATOM 282 SG CYS A 40 0.716 -7.499 1.121 1.00 0.00 S ATOM 0 H CYS A 40 1.102 -10.547 2.172 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.445 -9.740 -0.138 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.363 -9.240 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.751 -8.668 -0.723 1.00 0.00 H new ATOM 283 N PRO A 41 0.398 -11.052 -2.016 1.00 0.00 N ATOM 284 CA PRO A 41 0.778 -11.865 -3.197 1.00 0.00 C ATOM 285 C PRO A 41 2.302 -11.789 -3.399 1.00 0.00 C ATOM 286 O PRO A 41 2.893 -10.718 -3.253 1.00 0.00 O ATOM 287 CB PRO A 41 0.114 -11.167 -4.385 1.00 0.00 C ATOM 288 CG PRO A 41 -1.122 -10.495 -3.783 1.00 0.00 C ATOM 289 CD PRO A 41 -0.653 -10.089 -2.384 1.00 0.00 C ATOM 0 HA PRO A 41 0.481 -12.908 -3.086 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.782 -10.436 -4.842 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.159 -11.879 -5.163 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.436 -9.631 -4.369 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.971 -11.177 -3.741 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.267 -9.070 -2.382 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.477 -10.119 -1.672 1.00 0.00 H new ATOM 290 N GLY A 42 2.837 -12.866 -3.955 1.00 0.00 N ATOM 291 CA GLY A 42 4.260 -13.019 -4.323 1.00 0.00 C ATOM 292 C GLY A 42 4.815 -11.923 -5.247 1.00 0.00 C ATOM 293 O GLY A 42 6.008 -11.681 -5.285 1.00 0.00 O ATOM 0 H GLY A 42 2.283 -13.694 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.855 -13.039 -3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.392 -13.985 -4.811 1.00 0.00 H new ATOM 294 N ASP A 43 3.913 -11.259 -5.978 1.00 0.00 N ATOM 295 CA ASP A 43 4.245 -10.152 -6.886 1.00 0.00 C ATOM 296 C ASP A 43 3.887 -8.733 -6.368 1.00 0.00 C ATOM 297 O ASP A 43 4.094 -7.754 -7.063 1.00 0.00 O ATOM 298 CB ASP A 43 3.561 -10.384 -8.254 1.00 0.00 C ATOM 299 CG ASP A 43 2.027 -10.296 -8.236 1.00 0.00 C ATOM 300 OD1 ASP A 43 1.440 -10.807 -7.266 1.00 0.00 O ATOM 301 OD2 ASP A 43 1.485 -9.735 -9.203 1.00 0.00 O ATOM 0 H ASP A 43 2.917 -11.478 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 43 5.332 -10.165 -6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.944 -9.651 -8.964 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.849 -11.367 -8.625 1.00 0.00 H new ATOM 302 N TYR A 44 3.271 -8.686 -5.168 1.00 0.00 N ATOM 303 CA TYR A 44 2.832 -7.406 -4.566 1.00 0.00 C ATOM 304 C TYR A 44 3.322 -7.260 -3.111 1.00 0.00 C ATOM 305 O TYR A 44 2.803 -6.419 -2.374 1.00 0.00 O ATOM 306 CB TYR A 44 1.337 -7.195 -4.709 1.00 0.00 C ATOM 307 CG TYR A 44 0.842 -6.423 -5.917 1.00 0.00 C ATOM 308 CD1 TYR A 44 0.822 -7.136 -7.110 1.00 0.00 C ATOM 309 CD2 TYR A 44 0.236 -5.158 -5.783 1.00 0.00 C ATOM 310 CE1 TYR A 44 0.191 -6.595 -8.237 1.00 0.00 C ATOM 311 CE2 TYR A 44 -0.353 -4.581 -6.930 1.00 0.00 C ATOM 312 CZ TYR A 44 -0.395 -5.332 -8.136 1.00 0.00 C ATOM 313 OH TYR A 44 -0.992 -4.771 -9.228 1.00 0.00 O ATOM 0 H TYR A 44 3.067 -9.509 -4.601 1.00 0.00 H new ATOM 0 HA TYR A 44 3.306 -6.603 -5.130 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.860 -8.175 -4.720 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.985 -6.680 -3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.293 -8.106 -7.168 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.222 -4.645 -4.833 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.158 -7.144 -9.166 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.765 -3.584 -6.891 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.351 -3.891 -8.989 1.00 0.00 H new ATOM 314 N ALA A 45 4.392 -7.954 -2.733 1.00 0.00 N ATOM 315 CA ALA A 45 4.889 -7.813 -1.364 1.00 0.00 C ATOM 316 C ALA A 45 6.149 -6.962 -1.142 1.00 0.00 C ATOM 317 O ALA A 45 7.078 -7.230 -0.374 1.00 0.00 O ATOM 318 CB ALA A 45 5.078 -9.224 -0.695 1.00 0.00 C ATOM 0 H ALA A 45 4.916 -8.596 -3.327 1.00 0.00 H new ATOM 0 HA ALA A 45 4.100 -7.235 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.448 -9.098 0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.122 -9.746 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.795 -9.807 -1.272 1.00 0.00 H new ATOM 319 N ASN A 46 6.093 -5.834 -1.851 1.00 0.00 N ATOM 320 CA ASN A 46 7.174 -4.802 -1.924 1.00 0.00 C ATOM 321 C ASN A 46 6.720 -3.476 -1.300 1.00 0.00 C ATOM 322 O ASN A 46 5.504 -3.162 -1.425 1.00 0.00 O ATOM 323 CB ASN A 46 7.556 -4.660 -3.367 1.00 0.00 C ATOM 324 CG ASN A 46 8.200 -5.889 -4.013 1.00 0.00 C ATOM 325 OD1 ASN A 46 9.025 -6.576 -3.438 1.00 0.00 O ATOM 326 ND2 ASN A 46 7.887 -6.119 -5.255 1.00 0.00 N ATOM 327 OXT ASN A 46 7.618 -2.729 -0.851 1.00 0.00 O ATOM 0 H ASN A 46 5.278 -5.589 -2.413 1.00 0.00 H new ATOM 0 HA ASN A 46 8.045 -5.109 -1.346 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.663 -4.401 -3.935 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.246 -3.822 -3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.335 -6.884 -5.761 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.194 -5.535 -5.723 1.00 0.00 H new TER 328 ASN A 46