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+ 180:sc= 0.0903 (180deg=0.0903) USER MOD Single : A 1 THR OG1 : rot -111:sc= 1.21 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 6 SER OG : rot 170:sc= 0.375 USER MOD Single : A 11 SER OG : rot 83:sc= 1.24 USER MOD Single : A 12 ASN : amide:sc=-0.00467 X(o=-0.0047,f=-0.24) USER MOD Single : A 14 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.4!) USER MOD Single : A 21 THR OG1 : rot 9:sc= 1.18 USER MOD Single : A 28 THR OG1 : rot -25:sc= -0.4 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -43:sc= 1.03 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 :FLIP amide:sc= -0.131 F(o=-1.5!,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -4.244 -6.327 4.238 1.00 0.00 N ATOM 2 CA THR A 1 -2.837 -6.126 3.824 1.00 0.00 C ATOM 3 C THR A 1 -2.683 -5.272 2.538 1.00 0.00 C ATOM 4 O THR A 1 -3.403 -5.435 1.553 1.00 0.00 O ATOM 5 CB THR A 1 -2.072 -7.444 3.715 1.00 0.00 C ATOM 6 OG1 THR A 1 -0.706 -7.208 3.390 1.00 0.00 O ATOM 7 CG2 THR A 1 -2.716 -8.432 2.746 1.00 0.00 C ATOM 0 H1 THR A 1 -4.272 -6.905 5.102 1.00 0.00 H new ATOM 0 H2 THR A 1 -4.686 -5.404 4.424 1.00 0.00 H new ATOM 0 H3 THR A 1 -4.763 -6.813 3.479 1.00 0.00 H new ATOM 0 HA THR A 1 -2.383 -5.546 4.628 1.00 0.00 H new ATOM 0 HB THR A 1 -2.118 -7.916 4.696 1.00 0.00 H new ATOM 0 HG1 THR A 1 -0.526 -7.526 2.481 1.00 0.00 H new ATOM 0 HG21 THR A 1 -2.125 -9.347 2.714 1.00 0.00 H new ATOM 0 HG22 THR A 1 -3.727 -8.664 3.081 1.00 0.00 H new ATOM 0 HG23 THR A 1 -2.757 -7.991 1.750 1.00 0.00 H new ATOM 8 N THR A 2 -1.728 -4.361 2.601 1.00 0.00 N ATOM 9 CA THR A 2 -1.523 -3.261 1.626 1.00 0.00 C ATOM 10 C THR A 2 -0.376 -3.565 0.673 1.00 0.00 C ATOM 11 O THR A 2 0.687 -2.950 0.635 1.00 0.00 O ATOM 12 CB THR A 2 -1.210 -2.016 2.475 1.00 0.00 C ATOM 13 OG1 THR A 2 -0.064 -2.255 3.304 1.00 0.00 O ATOM 14 CG2 THR A 2 -2.369 -1.634 3.414 1.00 0.00 C ATOM 0 H THR A 2 -1.039 -4.351 3.353 1.00 0.00 H new ATOM 0 HA THR A 2 -2.404 -3.119 1.000 1.00 0.00 H new ATOM 0 HB THR A 2 -1.035 -1.206 1.767 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.126 -1.455 3.838 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.095 -0.750 3.989 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.260 -1.421 2.824 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.573 -2.460 4.095 1.00 0.00 H new ATOM 15 N CYS A 3 -0.700 -4.559 -0.136 1.00 0.00 N ATOM 16 CA CYS A 3 0.225 -5.206 -1.052 1.00 0.00 C ATOM 17 C CYS A 3 0.527 -4.276 -2.256 1.00 0.00 C ATOM 18 O CYS A 3 -0.365 -3.885 -2.991 1.00 0.00 O ATOM 19 CB CYS A 3 -0.275 -6.582 -1.503 1.00 0.00 C ATOM 20 SG CYS A 3 -0.756 -7.619 -0.080 1.00 0.00 S ATOM 0 H CYS A 3 -1.641 -4.950 -0.175 1.00 0.00 H new ATOM 0 HA CYS A 3 1.158 -5.384 -0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.128 -6.459 -2.170 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.506 -7.085 -2.073 1.00 0.00 H new ATOM 21 N CYS A 4 1.795 -3.878 -2.356 1.00 0.00 N ATOM 22 CA CYS A 4 2.285 -2.859 -3.329 1.00 0.00 C ATOM 23 C CYS A 4 3.355 -3.589 -4.157 1.00 0.00 C ATOM 24 O CYS A 4 4.198 -4.282 -3.590 1.00 0.00 O ATOM 25 CB CYS A 4 2.908 -1.724 -2.521 1.00 0.00 C ATOM 26 SG CYS A 4 1.688 -0.576 -1.809 1.00 0.00 S ATOM 0 H CYS A 4 2.535 -4.251 -1.761 1.00 0.00 H new ATOM 0 HA CYS A 4 1.509 -2.445 -3.972 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.506 -2.149 -1.715 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.589 -1.164 -3.163 1.00 0.00 H new ATOM 27 N PRO A 5 3.349 -3.371 -5.474 1.00 0.00 N ATOM 28 CA PRO A 5 4.212 -4.125 -6.408 1.00 0.00 C ATOM 29 C PRO A 5 5.618 -3.539 -6.650 1.00 0.00 C ATOM 30 O PRO A 5 6.313 -4.005 -7.550 1.00 0.00 O ATOM 31 CB PRO A 5 3.374 -4.160 -7.688 1.00 0.00 C ATOM 32 CG PRO A 5 2.696 -2.785 -7.669 1.00 0.00 C ATOM 33 CD PRO A 5 2.359 -2.560 -6.198 1.00 0.00 C ATOM 0 HA PRO A 5 4.460 -5.105 -6.000 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.992 -4.297 -8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.647 -4.972 -7.677 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.359 -2.008 -8.050 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.800 -2.773 -8.290 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.434 -1.506 -5.929 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.341 -2.876 -5.970 1.00 0.00 H new ATOM 34 N SER A 6 6.014 -2.500 -5.916 1.00 0.00 N ATOM 35 CA SER A 6 7.339 -1.903 -6.116 1.00 0.00 C ATOM 36 C SER A 6 7.822 -1.346 -4.766 1.00 0.00 C ATOM 37 O SER A 6 6.983 -0.829 -4.011 1.00 0.00 O ATOM 38 CB SER A 6 7.332 -0.748 -7.113 1.00 0.00 C ATOM 39 OG SER A 6 8.601 -0.093 -7.199 1.00 0.00 O ATOM 0 H SER A 6 5.450 -2.059 -5.190 1.00 0.00 H new ATOM 0 HA SER A 6 7.990 -2.683 -6.511 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.053 -1.123 -8.097 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.572 -0.024 -6.820 1.00 0.00 H new ATOM 0 HG SER A 6 8.598 0.528 -7.957 1.00 0.00 H new ATOM 40 N ILE A 7 9.138 -1.259 -4.552 1.00 0.00 N ATOM 41 CA ILE A 7 9.746 -0.555 -3.407 1.00 0.00 C ATOM 42 C ILE A 7 9.394 0.948 -3.487 1.00 0.00 C ATOM 43 O ILE A 7 9.127 1.585 -2.464 1.00 0.00 O ATOM 44 CB ILE A 7 11.274 -0.716 -3.351 1.00 0.00 C ATOM 45 CG1 ILE A 7 11.750 -2.170 -3.405 1.00 0.00 C ATOM 46 CG2 ILE A 7 11.855 -0.110 -2.065 1.00 0.00 C ATOM 47 CD1 ILE A 7 12.935 -2.323 -4.407 1.00 0.00 C ATOM 0 H ILE A 7 9.826 -1.680 -5.176 1.00 0.00 H new ATOM 0 HA ILE A 7 9.340 -1.003 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 7 11.628 -0.193 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.062 -2.493 -2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.926 -2.817 -3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.937 -0.241 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.618 0.953 -2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.423 -0.611 -1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.259 -3.363 -4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.611 -2.021 -5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.765 -1.692 -4.088 1.00 0.00 H new ATOM 48 N VAL A 8 9.252 1.474 -4.709 1.00 0.00 N ATOM 49 CA VAL A 8 9.016 2.890 -5.021 1.00 0.00 C ATOM 50 C VAL A 8 7.501 3.117 -4.853 1.00 0.00 C ATOM 51 O VAL A 8 7.103 4.085 -4.202 1.00 0.00 O ATOM 52 CB VAL A 8 9.422 3.090 -6.477 1.00 0.00 C ATOM 53 CG1 VAL A 8 9.478 4.556 -6.838 1.00 0.00 C ATOM 54 CG2 VAL A 8 10.872 2.505 -6.765 1.00 0.00 C ATOM 0 H VAL A 8 9.301 0.897 -5.548 1.00 0.00 H new ATOM 0 HA VAL A 8 9.574 3.578 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 8 8.668 2.570 -7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.770 4.663 -7.883 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.496 5.005 -6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.208 5.059 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.128 2.665 -7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.601 3.011 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.883 1.437 -6.548 1.00 0.00 H new ATOM 55 N ALA A 9 6.674 2.138 -5.275 1.00 0.00 N ATOM 56 CA ALA A 9 5.225 2.248 -5.108 1.00 0.00 C ATOM 57 C ALA A 9 4.782 2.121 -3.645 1.00 0.00 C ATOM 58 O ALA A 9 3.924 2.875 -3.208 1.00 0.00 O ATOM 59 CB ALA A 9 4.421 1.224 -5.922 1.00 0.00 C ATOM 0 H ALA A 9 6.986 1.278 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 9 5.009 3.248 -5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.356 1.372 -5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.632 1.356 -6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.703 0.216 -5.619 1.00 0.00 H new ATOM 60 N ARG A 10 5.472 1.257 -2.891 1.00 0.00 N ATOM 61 CA ARG A 10 5.270 1.238 -1.424 1.00 0.00 C ATOM 62 C ARG A 10 5.817 2.480 -0.718 1.00 0.00 C ATOM 63 O ARG A 10 5.116 3.042 0.114 1.00 0.00 O ATOM 64 CB ARG A 10 5.713 -0.055 -0.721 1.00 0.00 C ATOM 65 CG ARG A 10 5.219 -0.099 0.747 1.00 0.00 C ATOM 66 CD ARG A 10 3.702 -0.146 0.918 1.00 0.00 C ATOM 67 NE ARG A 10 3.180 -1.390 1.476 1.00 0.00 N ATOM 68 CZ ARG A 10 3.332 -1.907 2.696 1.00 0.00 C ATOM 69 NH1 ARG A 10 4.067 -1.289 3.605 1.00 0.00 N ATOM 70 NH2 ARG A 10 2.860 -3.123 2.964 1.00 0.00 N ATOM 0 H ARG A 10 6.151 0.584 -3.247 1.00 0.00 H new ATOM 0 HA ARG A 10 4.185 1.261 -1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.324 -0.917 -1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.800 -0.128 -0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.651 -0.973 1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.601 0.778 1.269 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.399 0.679 1.563 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.237 0.022 -0.053 1.00 0.00 H new ATOM 0 HE ARG A 10 2.614 -1.948 0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.525 -0.407 3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.176 -1.694 4.535 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.384 -3.657 2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.975 -3.521 3.896 1.00 0.00 H new ATOM 71 N SER A 11 6.936 3.001 -1.192 1.00 0.00 N ATOM 72 CA SER A 11 7.472 4.307 -0.723 1.00 0.00 C ATOM 73 C SER A 11 6.456 5.434 -0.918 1.00 0.00 C ATOM 74 O SER A 11 6.030 6.074 0.041 1.00 0.00 O ATOM 75 CB SER A 11 8.786 4.702 -1.410 1.00 0.00 C ATOM 76 OG SER A 11 9.831 3.791 -1.066 1.00 0.00 O ATOM 0 H SER A 11 7.508 2.551 -1.906 1.00 0.00 H new ATOM 0 HA SER A 11 7.673 4.168 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.648 4.713 -2.491 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.067 5.713 -1.115 1.00 0.00 H new ATOM 0 HG SER A 11 9.774 2.997 -1.637 1.00 0.00 H new ATOM 77 N ASN A 12 5.892 5.492 -2.122 1.00 0.00 N ATOM 78 CA ASN A 12 4.750 6.385 -2.495 1.00 0.00 C ATOM 79 C ASN A 12 3.503 6.069 -1.630 1.00 0.00 C ATOM 80 O ASN A 12 2.920 6.997 -1.068 1.00 0.00 O ATOM 81 CB ASN A 12 4.567 6.287 -3.995 1.00 0.00 C ATOM 82 CG ASN A 12 5.739 6.777 -4.838 1.00 0.00 C ATOM 83 OD1 ASN A 12 6.652 7.461 -4.391 1.00 0.00 O ATOM 84 ND2 ASN A 12 5.795 6.364 -6.091 1.00 0.00 N ATOM 0 H ASN A 12 6.210 4.913 -2.899 1.00 0.00 H new ATOM 0 HA ASN A 12 4.947 7.434 -2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.369 5.246 -4.251 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.680 6.857 -4.272 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.592 6.615 -6.676 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.041 5.794 -6.474 1.00 0.00 H new ATOM 85 N PHE A 13 3.213 4.792 -1.385 1.00 0.00 N ATOM 86 CA PHE A 13 2.078 4.346 -0.547 1.00 0.00 C ATOM 87 C PHE A 13 2.279 4.869 0.900 1.00 0.00 C ATOM 88 O PHE A 13 1.371 5.488 1.467 1.00 0.00 O ATOM 89 CB PHE A 13 1.793 2.838 -0.634 1.00 0.00 C ATOM 90 CG PHE A 13 0.497 2.402 -0.015 1.00 0.00 C ATOM 91 CD1 PHE A 13 0.341 2.316 1.362 1.00 0.00 C ATOM 92 CD2 PHE A 13 -0.507 2.036 -0.901 1.00 0.00 C ATOM 93 CE1 PHE A 13 -0.914 1.885 1.894 1.00 0.00 C ATOM 94 CE2 PHE A 13 -1.720 1.509 -0.397 1.00 0.00 C ATOM 95 CZ PHE A 13 -1.927 1.487 0.980 1.00 0.00 C ATOM 0 H PHE A 13 3.762 4.020 -1.764 1.00 0.00 H new ATOM 0 HA PHE A 13 1.164 4.786 -0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.795 2.543 -1.683 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.609 2.301 -0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.157 2.571 2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.364 2.152 -1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.087 1.862 2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.474 1.129 -1.070 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.882 1.159 1.363 1.00 0.00 H new ATOM 96 N ASN A 14 3.488 4.729 1.444 1.00 0.00 N ATOM 97 CA ASN A 14 3.986 5.278 2.751 1.00 0.00 C ATOM 98 C ASN A 14 3.939 6.812 2.782 1.00 0.00 C ATOM 99 O ASN A 14 3.632 7.347 3.835 1.00 0.00 O ATOM 100 CB ASN A 14 5.334 4.695 3.096 1.00 0.00 C ATOM 101 CG ASN A 14 5.353 3.159 3.205 1.00 0.00 C ATOM 102 OD1 ASN A 14 6.189 2.455 2.678 1.00 0.00 O ATOM 103 ND2 ASN A 14 4.376 2.686 3.916 1.00 0.00 N ATOM 0 H ASN A 14 4.213 4.194 0.966 1.00 0.00 H new ATOM 0 HA ASN A 14 3.308 4.962 3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.054 5.002 2.338 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.668 5.119 4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.285 1.679 4.053 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.699 3.321 4.338 1.00 0.00 H new ATOM 104 N VAL A 15 4.158 7.509 1.656 1.00 0.00 N ATOM 105 CA VAL A 15 4.023 8.993 1.619 1.00 0.00 C ATOM 106 C VAL A 15 2.501 9.287 1.638 1.00 0.00 C ATOM 107 O VAL A 15 2.071 10.118 2.431 1.00 0.00 O ATOM 108 CB VAL A 15 4.724 9.634 0.434 1.00 0.00 C ATOM 109 CG1 VAL A 15 4.610 11.187 0.411 1.00 0.00 C ATOM 110 CG2 VAL A 15 6.272 9.359 0.352 1.00 0.00 C ATOM 0 H VAL A 15 4.426 7.087 0.767 1.00 0.00 H new ATOM 0 HA VAL A 15 4.521 9.438 2.480 1.00 0.00 H new ATOM 0 HB VAL A 15 4.200 9.166 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.133 11.577 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.560 11.474 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.057 11.598 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.684 9.857 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.758 9.744 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.447 8.286 0.276 1.00 0.00 H new ATOM 111 N CYS A 16 1.658 8.508 0.921 1.00 0.00 N ATOM 112 CA CYS A 16 0.194 8.581 1.072 1.00 0.00 C ATOM 113 C CYS A 16 -0.277 8.299 2.531 1.00 0.00 C ATOM 114 O CYS A 16 -1.245 8.888 3.001 1.00 0.00 O ATOM 115 CB CYS A 16 -0.597 7.810 -0.010 1.00 0.00 C ATOM 116 SG CYS A 16 -2.392 7.812 0.293 1.00 0.00 S ATOM 0 H CYS A 16 1.971 7.823 0.233 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.063 9.623 0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.397 8.254 -0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.241 6.781 -0.050 1.00 0.00 H new ATOM 117 N ARG A 17 0.488 7.458 3.235 1.00 0.00 N ATOM 118 CA ARG A 17 0.232 7.136 4.674 1.00 0.00 C ATOM 119 C ARG A 17 1.076 8.002 5.648 1.00 0.00 C ATOM 120 O ARG A 17 0.882 7.898 6.854 1.00 0.00 O ATOM 121 CB ARG A 17 0.282 5.617 4.761 1.00 0.00 C ATOM 122 CG ARG A 17 0.090 4.979 6.193 1.00 0.00 C ATOM 123 CD ARG A 17 -0.994 5.503 7.143 1.00 0.00 C ATOM 124 NE ARG A 17 -0.717 4.961 8.471 1.00 0.00 N ATOM 125 CZ ARG A 17 -1.611 4.533 9.365 1.00 0.00 C ATOM 126 NH1 ARG A 17 -2.910 4.481 9.099 1.00 0.00 N ATOM 127 NH2 ARG A 17 -1.227 4.247 10.599 1.00 0.00 N ATOM 0 H ARG A 17 1.298 6.977 2.844 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.752 7.432 5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.488 5.214 4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.243 5.286 4.368 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.097 3.915 6.048 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.043 5.067 6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.989 6.593 7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.983 5.196 6.803 1.00 0.00 H new ATOM 0 HE ARG A 17 0.264 4.904 8.744 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.256 4.774 8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.563 4.148 9.808 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.248 4.354 10.866 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.910 3.920 11.283 1.00 0.00 H new ATOM 128 N LEU A 18 1.727 9.059 5.141 1.00 0.00 N ATOM 129 CA LEU A 18 2.441 10.024 6.012 1.00 0.00 C ATOM 130 C LEU A 18 1.525 10.701 7.062 1.00 0.00 C ATOM 131 O LEU A 18 1.942 10.722 8.221 1.00 0.00 O ATOM 132 CB LEU A 18 3.242 11.034 5.179 1.00 0.00 C ATOM 133 CG LEU A 18 4.213 11.879 6.008 1.00 0.00 C ATOM 134 CD1 LEU A 18 5.355 11.033 6.569 1.00 0.00 C ATOM 135 CD2 LEU A 18 4.787 13.003 5.133 1.00 0.00 C ATOM 0 H LEU A 18 1.778 9.272 4.145 1.00 0.00 H new ATOM 0 HA LEU A 18 3.156 9.447 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.803 10.497 4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.548 11.696 4.661 1.00 0.00 H new ATOM 0 HG LEU A 18 3.663 12.301 6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.024 11.666 7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.948 10.250 7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.909 10.579 5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.479 13.605 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.316 12.569 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.975 13.633 4.771 1.00 0.00 H new ATOM 136 N PRO A 19 0.283 11.156 6.751 1.00 0.00 N ATOM 137 CA PRO A 19 -0.677 11.612 7.771 1.00 0.00 C ATOM 138 C PRO A 19 -0.982 10.532 8.823 1.00 0.00 C ATOM 139 O PRO A 19 -0.802 10.737 10.015 1.00 0.00 O ATOM 140 CB PRO A 19 -1.931 12.011 7.010 1.00 0.00 C ATOM 141 CG PRO A 19 -1.782 11.391 5.612 1.00 0.00 C ATOM 142 CD PRO A 19 -0.274 11.386 5.406 1.00 0.00 C ATOM 0 HA PRO A 19 -0.263 12.446 8.338 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.827 11.641 7.509 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.024 13.095 6.950 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.200 10.385 5.569 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.293 11.981 4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.029 10.602 4.712 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.073 12.332 4.990 1.00 0.00 H new ATOM 143 N GLY A 20 -1.585 9.451 8.310 1.00 0.00 N ATOM 144 CA GLY A 20 -1.934 8.251 9.079 1.00 0.00 C ATOM 145 C GLY A 20 -3.434 7.899 9.084 1.00 0.00 C ATOM 146 O GLY A 20 -4.028 7.748 10.136 1.00 0.00 O ATOM 0 H GLY A 20 -1.849 9.386 7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.378 7.404 8.676 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.604 8.388 10.109 1.00 0.00 H new ATOM 147 N THR A 21 -4.023 7.780 7.880 1.00 0.00 N ATOM 148 CA THR A 21 -5.487 7.514 7.711 1.00 0.00 C ATOM 149 C THR A 21 -5.840 6.814 6.369 1.00 0.00 C ATOM 150 O THR A 21 -6.280 5.664 6.426 1.00 0.00 O ATOM 151 CB THR A 21 -6.306 8.752 8.107 1.00 0.00 C ATOM 152 OG1 THR A 21 -6.359 8.836 9.539 1.00 0.00 O ATOM 153 CG2 THR A 21 -7.713 8.742 7.524 1.00 0.00 C ATOM 0 H THR A 21 -3.516 7.862 6.999 1.00 0.00 H new ATOM 0 HA THR A 21 -5.800 6.747 8.420 1.00 0.00 H new ATOM 0 HB THR A 21 -5.809 9.629 7.692 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.749 8.175 9.928 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.243 9.641 7.838 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.656 8.716 6.436 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.248 7.862 7.880 1.00 0.00 H new ATOM 154 N PRO A 22 -5.729 7.451 5.181 1.00 0.00 N ATOM 155 CA PRO A 22 -6.444 6.979 3.977 1.00 0.00 C ATOM 156 C PRO A 22 -5.746 5.820 3.239 1.00 0.00 C ATOM 157 O PRO A 22 -5.426 5.919 2.042 1.00 0.00 O ATOM 158 CB PRO A 22 -6.568 8.240 3.115 1.00 0.00 C ATOM 159 CG PRO A 22 -5.270 8.997 3.406 1.00 0.00 C ATOM 160 CD PRO A 22 -5.061 8.739 4.903 1.00 0.00 C ATOM 0 HA PRO A 22 -7.408 6.539 4.232 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.662 7.996 2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.445 8.827 3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.439 8.621 2.810 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.363 10.061 3.187 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.000 8.691 5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -5.491 9.541 5.503 1.00 0.00 H new ATOM 161 N GLU A 23 -5.828 4.634 3.842 1.00 0.00 N ATOM 162 CA GLU A 23 -5.199 3.412 3.311 1.00 0.00 C ATOM 163 C GLU A 23 -5.688 3.072 1.874 1.00 0.00 C ATOM 164 O GLU A 23 -4.884 2.887 0.969 1.00 0.00 O ATOM 165 CB GLU A 23 -5.333 2.142 4.153 1.00 0.00 C ATOM 166 CG GLU A 23 -4.811 2.274 5.586 1.00 0.00 C ATOM 167 CD GLU A 23 -3.524 3.094 5.742 1.00 0.00 C ATOM 168 OE1 GLU A 23 -2.439 2.515 5.498 1.00 0.00 O ATOM 169 OE2 GLU A 23 -3.674 4.299 6.058 1.00 0.00 O ATOM 0 H GLU A 23 -6.333 4.487 4.716 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.145 3.691 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.383 1.853 4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.796 1.334 3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.589 2.730 6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.636 1.275 5.985 1.00 0.00 H new ATOM 170 N ALA A 24 -7.004 3.127 1.673 1.00 0.00 N ATOM 171 CA ALA A 24 -7.601 2.834 0.325 1.00 0.00 C ATOM 172 C ALA A 24 -7.328 3.895 -0.730 1.00 0.00 C ATOM 173 O ALA A 24 -7.101 3.567 -1.897 1.00 0.00 O ATOM 174 CB ALA A 24 -9.097 2.557 0.489 1.00 0.00 C ATOM 0 H ALA A 24 -7.684 3.364 2.395 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.101 1.946 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.536 2.344 -0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.238 1.699 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.583 3.431 0.923 1.00 0.00 H new ATOM 175 N LEU A 25 -7.227 5.134 -0.278 1.00 0.00 N ATOM 176 CA LEU A 25 -6.814 6.247 -1.174 1.00 0.00 C ATOM 177 C LEU A 25 -5.352 6.056 -1.614 1.00 0.00 C ATOM 178 O LEU A 25 -5.066 6.109 -2.799 1.00 0.00 O ATOM 179 CB LEU A 25 -7.033 7.633 -0.561 1.00 0.00 C ATOM 180 CG LEU A 25 -8.500 8.091 -0.501 1.00 0.00 C ATOM 181 CD1 LEU A 25 -9.175 8.092 -1.877 1.00 0.00 C ATOM 182 CD2 LEU A 25 -9.345 7.307 0.518 1.00 0.00 C ATOM 0 H LEU A 25 -7.418 5.411 0.685 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.461 6.207 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.625 7.635 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.463 8.363 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.454 9.122 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.208 8.423 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.641 8.769 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.157 7.084 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.368 7.682 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.344 6.249 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.923 7.433 1.515 1.00 0.00 H new ATOM 183 N CYS A 26 -4.515 5.596 -0.693 1.00 0.00 N ATOM 184 CA CYS A 26 -3.133 5.096 -1.014 1.00 0.00 C ATOM 185 C CYS A 26 -3.173 3.979 -2.087 1.00 0.00 C ATOM 186 O CYS A 26 -2.418 4.098 -3.053 1.00 0.00 O ATOM 187 CB CYS A 26 -2.420 4.737 0.331 1.00 0.00 C ATOM 188 SG CYS A 26 -2.466 6.146 1.482 1.00 0.00 S ATOM 0 H CYS A 26 -4.748 5.548 0.299 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.524 5.866 -1.488 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.905 3.874 0.786 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.385 4.455 0.136 1.00 0.00 H new ATOM 189 N ALA A 27 -4.103 3.009 -2.032 1.00 0.00 N ATOM 190 CA ALA A 27 -4.269 2.035 -3.183 1.00 0.00 C ATOM 191 C ALA A 27 -4.610 2.625 -4.522 1.00 0.00 C ATOM 192 O ALA A 27 -3.919 2.362 -5.504 1.00 0.00 O ATOM 193 CB ALA A 27 -5.207 0.866 -2.765 1.00 0.00 C ATOM 0 H ALA A 27 -4.739 2.861 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.270 1.642 -3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.319 0.173 -3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.776 0.341 -1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.184 1.264 -2.490 1.00 0.00 H new ATOM 194 N THR A 28 -5.557 3.546 -4.506 1.00 0.00 N ATOM 195 CA THR A 28 -6.022 4.281 -5.763 1.00 0.00 C ATOM 196 C THR A 28 -4.927 5.256 -6.248 1.00 0.00 C ATOM 197 O THR A 28 -4.474 5.155 -7.388 1.00 0.00 O ATOM 198 CB THR A 28 -7.352 4.898 -5.519 1.00 0.00 C ATOM 199 OG1 THR A 28 -7.362 5.973 -4.575 1.00 0.00 O ATOM 200 CG2 THR A 28 -8.479 3.944 -5.000 1.00 0.00 C ATOM 0 H THR A 28 -6.045 3.833 -3.657 1.00 0.00 H new ATOM 0 HA THR A 28 -6.168 3.586 -6.590 1.00 0.00 H new ATOM 0 HB THR A 28 -7.558 5.234 -6.535 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.603 5.878 -3.963 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.400 4.511 -4.861 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.648 3.151 -5.728 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.175 3.506 -4.049 1.00 0.00 H new ATOM 201 N TYR A 29 -4.458 6.138 -5.360 1.00 0.00 N ATOM 202 CA TYR A 29 -3.445 7.227 -5.598 1.00 0.00 C ATOM 203 C TYR A 29 -2.069 6.705 -6.016 1.00 0.00 C ATOM 204 O TYR A 29 -1.400 7.383 -6.782 1.00 0.00 O ATOM 205 CB TYR A 29 -3.473 8.257 -4.477 1.00 0.00 C ATOM 206 CG TYR A 29 -4.674 9.195 -4.590 1.00 0.00 C ATOM 207 CD1 TYR A 29 -6.035 8.740 -4.569 1.00 0.00 C ATOM 208 CD2 TYR A 29 -4.374 10.575 -4.633 1.00 0.00 C ATOM 209 CE1 TYR A 29 -7.068 9.683 -4.517 1.00 0.00 C ATOM 210 CE2 TYR A 29 -5.416 11.518 -4.576 1.00 0.00 C ATOM 211 CZ TYR A 29 -6.748 11.059 -4.512 1.00 0.00 C ATOM 212 OH TYR A 29 -7.753 11.966 -4.382 1.00 0.00 O ATOM 0 H TYR A 29 -4.780 6.129 -4.392 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.744 7.782 -6.487 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.502 7.745 -3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.553 8.842 -4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.259 7.684 -4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.348 10.905 -4.709 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.099 9.362 -4.481 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.200 12.576 -4.581 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.380 12.872 -4.394 1.00 0.00 H new ATOM 213 N THR A 30 -1.648 5.526 -5.539 1.00 0.00 N ATOM 214 CA THR A 30 -0.319 4.996 -5.892 1.00 0.00 C ATOM 215 C THR A 30 -0.196 3.459 -6.052 1.00 0.00 C ATOM 216 O THR A 30 0.712 2.796 -5.551 1.00 0.00 O ATOM 217 CB THR A 30 0.870 5.705 -5.176 1.00 0.00 C ATOM 218 OG1 THR A 30 2.079 4.968 -5.299 1.00 0.00 O ATOM 219 CG2 THR A 30 0.587 6.228 -3.758 1.00 0.00 C ATOM 0 H THR A 30 -2.195 4.929 -4.919 1.00 0.00 H new ATOM 0 HA THR A 30 -0.215 5.305 -6.932 1.00 0.00 H new ATOM 0 HB THR A 30 1.011 6.634 -5.728 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.899 4.017 -5.145 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.484 6.701 -3.359 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.223 6.957 -3.794 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.299 5.397 -3.114 1.00 0.00 H new ATOM 220 N GLY A 31 -1.156 2.966 -6.838 1.00 0.00 N ATOM 221 CA GLY A 31 -1.136 1.630 -7.492 1.00 0.00 C ATOM 222 C GLY A 31 -0.741 0.453 -6.590 1.00 0.00 C ATOM 223 O GLY A 31 0.234 -0.230 -6.863 1.00 0.00 O ATOM 0 H GLY A 31 -2.002 3.494 -7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.126 1.432 -7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.443 1.668 -8.333 1.00 0.00 H new ATOM 224 N CYS A 32 -1.578 0.192 -5.598 1.00 0.00 N ATOM 225 CA CYS A 32 -1.386 -0.993 -4.685 1.00 0.00 C ATOM 226 C CYS A 32 -2.763 -1.633 -4.544 1.00 0.00 C ATOM 227 O CYS A 32 -3.805 -1.052 -4.837 1.00 0.00 O ATOM 228 CB CYS A 32 -0.878 -0.506 -3.346 1.00 0.00 C ATOM 229 SG CYS A 32 0.785 0.264 -3.426 1.00 0.00 S ATOM 0 H CYS A 32 -2.397 0.760 -5.382 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.662 -1.710 -5.073 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.585 0.218 -2.940 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.847 -1.346 -2.651 1.00 0.00 H new ATOM 230 N ILE A 33 -2.695 -2.843 -4.006 1.00 0.00 N ATOM 231 CA ILE A 33 -3.918 -3.652 -3.775 1.00 0.00 C ATOM 232 C ILE A 33 -4.106 -4.003 -2.286 1.00 0.00 C ATOM 233 O ILE A 33 -3.403 -4.849 -1.727 1.00 0.00 O ATOM 234 CB ILE A 33 -4.020 -4.845 -4.706 1.00 0.00 C ATOM 235 CG1 ILE A 33 -2.847 -5.846 -4.520 1.00 0.00 C ATOM 236 CG2 ILE A 33 -4.083 -4.392 -6.195 1.00 0.00 C ATOM 237 CD1 ILE A 33 -2.954 -7.216 -5.253 1.00 0.00 C ATOM 0 H ILE A 33 -1.826 -3.295 -3.720 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.768 -3.023 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.945 -5.357 -4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.931 -5.357 -4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.737 -6.042 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.156 -5.268 -6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.956 -3.757 -6.346 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.181 -3.833 -6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.069 -7.815 -5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.843 -7.744 -4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.025 -7.049 -6.328 1.00 0.00 H new ATOM 238 N ILE A 34 -5.024 -3.300 -1.617 1.00 0.00 N ATOM 239 CA ILE A 34 -5.449 -3.671 -0.278 1.00 0.00 C ATOM 240 C ILE A 34 -6.346 -4.934 -0.427 1.00 0.00 C ATOM 241 O ILE A 34 -7.427 -4.876 -1.022 1.00 0.00 O ATOM 242 CB ILE A 34 -6.141 -2.561 0.511 1.00 0.00 C ATOM 243 CG1 ILE A 34 -5.047 -1.624 1.013 1.00 0.00 C ATOM 244 CG2 ILE A 34 -6.827 -3.111 1.809 1.00 0.00 C ATOM 245 CD1 ILE A 34 -5.404 -0.160 0.888 1.00 0.00 C ATOM 0 H ILE A 34 -5.484 -2.469 -1.988 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.564 -3.876 0.324 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.882 -2.093 -0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.837 -1.851 2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.131 -1.816 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.308 -2.291 2.342 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.575 -3.855 1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.075 -3.570 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.581 0.448 1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.586 0.082 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.303 0.046 1.469 1.00 0.00 H new ATOM 246 N ILE A 35 -5.831 -6.075 0.053 1.00 0.00 N ATOM 247 CA ILE A 35 -6.487 -7.391 -0.109 1.00 0.00 C ATOM 248 C ILE A 35 -6.692 -8.061 1.260 1.00 0.00 C ATOM 249 O ILE A 35 -5.746 -8.183 2.035 1.00 0.00 O ATOM 250 CB ILE A 35 -5.726 -8.260 -1.138 1.00 0.00 C ATOM 251 CG1 ILE A 35 -4.226 -8.331 -0.867 1.00 0.00 C ATOM 252 CG2 ILE A 35 -5.808 -7.750 -2.577 1.00 0.00 C ATOM 253 CD1 ILE A 35 -3.698 -9.760 -0.971 1.00 0.00 C ATOM 0 H ILE A 35 -4.950 -6.117 0.564 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.485 -7.257 -0.525 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.223 -9.224 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.698 -7.696 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.017 -7.938 0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.248 -8.417 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.850 -7.721 -2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.384 -6.747 -2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.626 -9.767 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.207 -10.390 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.883 -10.144 -1.974 1.00 0.00 H new ATOM 254 N PRO A 36 -7.949 -8.433 1.572 1.00 0.00 N ATOM 255 CA PRO A 36 -8.344 -8.975 2.887 1.00 0.00 C ATOM 256 C PRO A 36 -7.498 -10.095 3.507 1.00 0.00 C ATOM 257 O PRO A 36 -7.190 -10.051 4.701 1.00 0.00 O ATOM 258 CB PRO A 36 -9.796 -9.434 2.696 1.00 0.00 C ATOM 259 CG PRO A 36 -10.046 -9.415 1.197 1.00 0.00 C ATOM 260 CD PRO A 36 -9.128 -8.301 0.689 1.00 0.00 C ATOM 0 HA PRO A 36 -8.192 -8.182 3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.946 -10.433 3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.487 -8.770 3.216 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.803 -10.374 0.739 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.091 -9.208 0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.867 -8.437 -0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.593 -7.319 0.777 1.00 0.00 H new ATOM 261 N GLY A 37 -7.205 -11.063 2.664 1.00 0.00 N ATOM 262 CA GLY A 37 -6.559 -12.372 2.969 1.00 0.00 C ATOM 263 C GLY A 37 -5.124 -12.361 3.516 1.00 0.00 C ATOM 264 O GLY A 37 -4.319 -13.172 3.095 1.00 0.00 O ATOM 0 H GLY A 37 -7.418 -10.973 1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.187 -12.893 3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.563 -12.967 2.055 1.00 0.00 H new ATOM 265 N ALA A 38 -4.904 -11.513 4.532 1.00 0.00 N ATOM 266 CA ALA A 38 -3.742 -11.352 5.426 1.00 0.00 C ATOM 267 C ALA A 38 -2.302 -11.268 4.879 1.00 0.00 C ATOM 268 O ALA A 38 -1.460 -10.621 5.482 1.00 0.00 O ATOM 269 CB ALA A 38 -3.865 -12.352 6.569 1.00 0.00 C ATOM 0 H ALA A 38 -5.628 -10.838 4.779 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.837 -10.311 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.012 -12.245 7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.786 -12.163 7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.885 -13.365 6.166 1.00 0.00 H new ATOM 270 N THR A 39 -2.052 -11.910 3.735 1.00 0.00 N ATOM 271 CA THR A 39 -0.709 -11.870 3.104 1.00 0.00 C ATOM 272 C THR A 39 -0.826 -11.512 1.619 1.00 0.00 C ATOM 273 O THR A 39 -1.904 -11.513 1.014 1.00 0.00 O ATOM 274 CB THR A 39 0.084 -13.123 3.486 1.00 0.00 C ATOM 275 OG1 THR A 39 1.455 -12.751 3.594 1.00 0.00 O ATOM 276 CG2 THR A 39 0.064 -14.276 2.427 1.00 0.00 C ATOM 0 H THR A 39 -2.744 -12.459 3.225 1.00 0.00 H new ATOM 0 HA THR A 39 -0.095 -11.059 3.495 1.00 0.00 H new ATOM 0 HB THR A 39 -0.380 -13.492 4.400 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.988 -13.535 3.840 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.654 -15.116 2.793 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.964 -14.599 2.261 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.488 -13.916 1.489 1.00 0.00 H new ATOM 277 N CYS A 40 0.337 -11.177 1.098 1.00 0.00 N ATOM 278 CA CYS A 40 0.549 -10.587 -0.220 1.00 0.00 C ATOM 279 C CYS A 40 0.971 -11.595 -1.310 1.00 0.00 C ATOM 280 O CYS A 40 1.755 -12.508 -1.042 1.00 0.00 O ATOM 281 CB CYS A 40 1.544 -9.469 -0.084 1.00 0.00 C ATOM 282 SG CYS A 40 0.992 -8.031 0.885 1.00 0.00 S ATOM 0 H CYS A 40 1.211 -11.314 1.606 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.411 -10.206 -0.569 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.449 -9.867 0.375 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.817 -9.127 -1.082 1.00 0.00 H new ATOM 283 N PRO A 41 0.506 -11.342 -2.541 1.00 0.00 N ATOM 284 CA PRO A 41 0.966 -12.026 -3.761 1.00 0.00 C ATOM 285 C PRO A 41 2.472 -11.889 -3.885 1.00 0.00 C ATOM 286 O PRO A 41 3.035 -10.821 -3.622 1.00 0.00 O ATOM 287 CB PRO A 41 0.306 -11.231 -4.896 1.00 0.00 C ATOM 288 CG PRO A 41 -0.978 -10.689 -4.284 1.00 0.00 C ATOM 289 CD PRO A 41 -0.581 -10.400 -2.843 1.00 0.00 C ATOM 0 HA PRO A 41 0.719 -13.088 -3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.952 -10.424 -5.243 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.098 -11.866 -5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.320 -9.789 -4.796 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.789 -11.415 -4.340 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.250 -9.368 -2.726 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.424 -10.543 -2.167 1.00 0.00 H new ATOM 290 N GLY A 42 3.079 -12.915 -4.468 1.00 0.00 N ATOM 291 CA GLY A 42 4.530 -12.998 -4.753 1.00 0.00 C ATOM 292 C GLY A 42 5.091 -11.822 -5.593 1.00 0.00 C ATOM 293 O GLY A 42 6.277 -11.527 -5.529 1.00 0.00 O ATOM 0 H GLY A 42 2.570 -13.746 -4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.071 -13.042 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.731 -13.931 -5.279 1.00 0.00 H new ATOM 294 N ASP A 43 4.195 -11.164 -6.342 1.00 0.00 N ATOM 295 CA ASP A 43 4.531 -10.006 -7.176 1.00 0.00 C ATOM 296 C ASP A 43 4.094 -8.647 -6.596 1.00 0.00 C ATOM 297 O ASP A 43 4.222 -7.621 -7.262 1.00 0.00 O ATOM 298 CB ASP A 43 3.923 -10.192 -8.599 1.00 0.00 C ATOM 299 CG ASP A 43 2.389 -10.158 -8.648 1.00 0.00 C ATOM 300 OD1 ASP A 43 1.772 -10.714 -7.705 1.00 0.00 O ATOM 301 OD2 ASP A 43 1.862 -9.589 -9.608 1.00 0.00 O ATOM 0 H ASP A 43 3.210 -11.424 -6.385 1.00 0.00 H new ATOM 0 HA ASP A 43 5.620 -9.973 -7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.312 -9.410 -9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.265 -11.144 -9.004 1.00 0.00 H new ATOM 302 N TYR A 44 3.482 -8.667 -5.422 1.00 0.00 N ATOM 303 CA TYR A 44 3.014 -7.431 -4.719 1.00 0.00 C ATOM 304 C TYR A 44 3.503 -7.402 -3.257 1.00 0.00 C ATOM 305 O TYR A 44 2.923 -6.709 -2.417 1.00 0.00 O ATOM 306 CB TYR A 44 1.502 -7.261 -4.836 1.00 0.00 C ATOM 307 CG TYR A 44 0.936 -6.484 -5.987 1.00 0.00 C ATOM 308 CD1 TYR A 44 0.914 -7.146 -7.207 1.00 0.00 C ATOM 309 CD2 TYR A 44 0.303 -5.249 -5.795 1.00 0.00 C ATOM 310 CE1 TYR A 44 0.263 -6.557 -8.321 1.00 0.00 C ATOM 311 CE2 TYR A 44 -0.311 -4.624 -6.892 1.00 0.00 C ATOM 312 CZ TYR A 44 -0.345 -5.297 -8.143 1.00 0.00 C ATOM 313 OH TYR A 44 -0.985 -4.700 -9.181 1.00 0.00 O ATOM 0 H TYR A 44 3.285 -9.528 -4.911 1.00 0.00 H new ATOM 0 HA TYR A 44 3.461 -6.570 -5.216 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.062 -8.258 -4.866 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.154 -6.787 -3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.392 -8.109 -7.308 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.288 -4.786 -4.820 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.234 -7.058 -9.277 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.752 -3.644 -6.786 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.349 -3.838 -8.889 1.00 0.00 H new ATOM 314 N ALA A 45 4.647 -8.019 -2.990 1.00 0.00 N ATOM 315 CA ALA A 45 5.126 -8.131 -1.615 1.00 0.00 C ATOM 316 C ALA A 45 6.045 -7.100 -0.967 1.00 0.00 C ATOM 317 O ALA A 45 6.800 -7.362 -0.034 1.00 0.00 O ATOM 318 CB ALA A 45 5.575 -9.597 -1.327 1.00 0.00 C ATOM 0 H ALA A 45 5.253 -8.443 -3.692 1.00 0.00 H new ATOM 0 HA ALA A 45 4.224 -7.831 -1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.931 -9.673 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.730 -10.271 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.378 -9.873 -2.011 1.00 0.00 H new ATOM 319 N ASN A 46 5.784 -5.867 -1.361 1.00 0.00 N ATOM 320 CA ASN A 46 6.389 -4.639 -0.778 1.00 0.00 C ATOM 321 C ASN A 46 5.378 -3.962 0.176 1.00 0.00 C ATOM 322 O ASN A 46 5.839 -3.477 1.226 1.00 0.00 O ATOM 323 CB ASN A 46 6.813 -3.705 -1.875 1.00 0.00 C ATOM 324 CG ASN A 46 7.834 -4.270 -2.856 1.00 0.00 C ATOM 325 OD1 ASN A 46 9.050 -3.916 -2.578 1.00 0.00 O flip ATOM 326 ND2 ASN A 46 7.532 -4.821 -3.908 1.00 0.00 N flip ATOM 327 OXT ASN A 46 4.177 -3.938 -0.201 1.00 0.00 O ATOM 0 H ASN A 46 5.129 -5.665 -2.116 1.00 0.00 H new ATOM 0 HA ASN A 46 7.275 -4.906 -0.203 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.927 -3.401 -2.433 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.229 -2.805 -1.422 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.563 -5.083 -4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.250 -5.018 -4.605 1.00 0.00 H new TER 328 ASN A 46