USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 ASN : amide:sc= -2.2 K(o=-18,f=-20!) USER MOD Set 1.2: A 135 GLN : amide:sc= -15.4! C(o=-18!,f=-18!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ 158:sc= -3.92! (180deg=-0.107) USER MOD Set 2.2: A 107 HIS :FLIP no HD1:sc= -3.19! C(o=-12!,f=-7.1!) USER MOD Single : A 79 THR OG1 : rot 24:sc= 1.5 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.665 USER MOD Single : A 109 MET CE :methyl -154:sc= -0.0852 (180deg=-0.233) USER MOD Single : A 110 THR OG1 : rot 94:sc= 1.23 USER MOD Single : A 111 ASN : amide:sc= -0.436 K(o=-0.44,f=-1.8!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -130:sc= -2.36 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.083) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -2.08! C(o=-2.1!,f=-5.2!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 159:sc= -0.0561 (180deg=-0.854) USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 78 18.636 14.882 -0.160 1.00 0.00 N ATOM 2 CA ASP A 78 17.705 13.721 -0.212 1.00 0.00 C ATOM 3 C ASP A 78 16.460 14.086 -1.023 1.00 0.00 C ATOM 4 O ASP A 78 16.066 13.343 -1.920 1.00 0.00 O ATOM 5 CB ASP A 78 17.314 13.321 1.212 1.00 0.00 C ATOM 6 CG ASP A 78 18.483 12.606 1.891 1.00 0.00 C ATOM 7 OD1 ASP A 78 19.465 12.339 1.214 1.00 0.00 O ATOM 8 OD2 ASP A 78 18.383 12.337 3.076 1.00 0.00 O ATOM 0 HA ASP A 78 18.199 12.879 -0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.036 14.206 1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.441 12.669 1.189 1.00 0.00 H new ATOM 15 N THR A 79 15.847 15.227 -0.709 1.00 0.00 N ATOM 16 CA THR A 79 14.648 15.665 -1.426 1.00 0.00 C ATOM 17 C THR A 79 13.712 14.484 -1.695 1.00 0.00 C ATOM 18 O THR A 79 13.695 13.933 -2.795 1.00 0.00 O ATOM 19 CB THR A 79 15.039 16.313 -2.757 1.00 0.00 C ATOM 20 OG1 THR A 79 15.632 15.338 -3.601 1.00 0.00 O ATOM 21 CG2 THR A 79 16.035 17.447 -2.510 1.00 0.00 C ATOM 0 H THR A 79 16.156 15.860 0.029 1.00 0.00 H new ATOM 0 HA THR A 79 14.128 16.392 -0.802 1.00 0.00 H new ATOM 0 HB THR A 79 14.147 16.717 -3.235 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.333 14.445 -3.330 1.00 0.00 H new ATOM 0 HG21 THR A 79 16.309 17.904 -3.461 1.00 0.00 H new ATOM 0 HG22 THR A 79 15.579 18.198 -1.865 1.00 0.00 H new ATOM 0 HG23 THR A 79 16.928 17.049 -2.028 1.00 0.00 H new ATOM 29 N ASP A 80 12.935 14.101 -0.679 1.00 0.00 N ATOM 30 CA ASP A 80 11.999 12.981 -0.815 1.00 0.00 C ATOM 31 C ASP A 80 10.619 13.476 -1.250 1.00 0.00 C ATOM 32 O ASP A 80 9.847 12.734 -1.858 1.00 0.00 O ATOM 33 CB ASP A 80 11.888 12.226 0.512 1.00 0.00 C ATOM 34 CG ASP A 80 11.459 13.174 1.627 1.00 0.00 C ATOM 35 OD1 ASP A 80 11.359 14.359 1.365 1.00 0.00 O ATOM 36 OD2 ASP A 80 11.236 12.699 2.730 1.00 0.00 O ATOM 0 H ASP A 80 12.934 14.545 0.239 1.00 0.00 H new ATOM 0 HA ASP A 80 12.381 12.306 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.166 11.415 0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.847 11.772 0.761 1.00 0.00 H new ATOM 41 N SER A 81 10.315 14.731 -0.929 1.00 0.00 N ATOM 42 CA SER A 81 9.029 15.318 -1.289 1.00 0.00 C ATOM 43 C SER A 81 7.884 14.423 -0.822 1.00 0.00 C ATOM 44 O SER A 81 7.368 13.604 -1.583 1.00 0.00 O ATOM 45 CB SER A 81 8.947 15.524 -2.804 1.00 0.00 C ATOM 46 OG SER A 81 9.747 16.643 -3.166 1.00 0.00 O ATOM 0 H SER A 81 10.940 15.358 -0.422 1.00 0.00 H new ATOM 0 HA SER A 81 8.941 16.285 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.293 14.631 -3.324 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.913 15.688 -3.106 1.00 0.00 H new ATOM 0 HG SER A 81 9.700 16.779 -4.135 1.00 0.00 H new ATOM 52 N GLU A 82 7.493 14.594 0.436 1.00 0.00 N ATOM 53 CA GLU A 82 6.411 13.805 1.016 1.00 0.00 C ATOM 54 C GLU A 82 5.199 13.804 0.076 1.00 0.00 C ATOM 55 O GLU A 82 4.274 12.996 0.225 1.00 0.00 O ATOM 56 CB GLU A 82 6.021 14.410 2.372 1.00 0.00 C ATOM 57 CG GLU A 82 5.163 13.417 3.157 1.00 0.00 C ATOM 58 CD GLU A 82 4.752 14.027 4.497 1.00 0.00 C ATOM 59 OE1 GLU A 82 4.886 15.230 4.644 1.00 0.00 O ATOM 60 OE2 GLU A 82 4.312 13.279 5.359 1.00 0.00 O ATOM 0 H GLU A 82 7.909 15.272 1.074 1.00 0.00 H new ATOM 0 HA GLU A 82 6.744 12.777 1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.917 14.659 2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.471 15.339 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.276 13.155 2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.720 12.495 3.323 1.00 0.00 H new ATOM 67 N GLU A 83 5.205 14.722 -0.891 1.00 0.00 N ATOM 68 CA GLU A 83 4.100 14.830 -1.837 1.00 0.00 C ATOM 69 C GLU A 83 4.006 13.586 -2.730 1.00 0.00 C ATOM 70 O GLU A 83 2.934 13.003 -2.875 1.00 0.00 O ATOM 71 CB GLU A 83 4.279 16.087 -2.695 1.00 0.00 C ATOM 72 CG GLU A 83 3.052 16.277 -3.584 1.00 0.00 C ATOM 73 CD GLU A 83 3.187 17.558 -4.402 1.00 0.00 C ATOM 74 OE1 GLU A 83 4.043 18.363 -4.076 1.00 0.00 O ATOM 75 OE2 GLU A 83 2.426 17.718 -5.344 1.00 0.00 O ATOM 0 H GLU A 83 5.957 15.395 -1.037 1.00 0.00 H new ATOM 0 HA GLU A 83 3.170 14.904 -1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.417 16.959 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.175 15.997 -3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.941 15.422 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.153 16.322 -2.970 1.00 0.00 H new ATOM 82 N GLU A 84 5.122 13.162 -3.324 1.00 0.00 N ATOM 83 CA GLU A 84 5.087 11.974 -4.182 1.00 0.00 C ATOM 84 C GLU A 84 4.355 10.852 -3.454 1.00 0.00 C ATOM 85 O GLU A 84 3.467 10.208 -4.011 1.00 0.00 O ATOM 86 CB GLU A 84 6.503 11.511 -4.529 1.00 0.00 C ATOM 87 CG GLU A 84 6.431 10.308 -5.476 1.00 0.00 C ATOM 88 CD GLU A 84 7.833 9.894 -5.918 1.00 0.00 C ATOM 89 OE1 GLU A 84 8.750 10.678 -5.730 1.00 0.00 O ATOM 90 OE2 GLU A 84 7.971 8.800 -6.441 1.00 0.00 O ATOM 0 H GLU A 84 6.036 13.606 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 84 4.568 12.226 -5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.058 12.324 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.041 11.240 -3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.939 9.473 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.827 10.559 -6.348 1.00 0.00 H new ATOM 97 N ILE A 85 4.721 10.645 -2.189 1.00 0.00 N ATOM 98 CA ILE A 85 4.086 9.614 -1.377 1.00 0.00 C ATOM 99 C ILE A 85 2.577 9.832 -1.389 1.00 0.00 C ATOM 100 O ILE A 85 1.804 8.907 -1.635 1.00 0.00 O ATOM 101 CB ILE A 85 4.590 9.714 0.068 1.00 0.00 C ATOM 102 CG1 ILE A 85 6.117 9.581 0.102 1.00 0.00 C ATOM 103 CG2 ILE A 85 3.974 8.601 0.917 1.00 0.00 C ATOM 104 CD1 ILE A 85 6.626 9.843 1.524 1.00 0.00 C ATOM 0 H ILE A 85 5.449 11.175 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 85 4.328 8.631 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 85 4.298 10.684 0.470 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.412 8.583 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.569 10.289 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.338 8.681 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.888 8.696 0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.256 7.632 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.712 9.748 1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.344 10.850 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.185 9.118 2.208 1.00 0.00 H new ATOM 116 N ARG A 86 2.166 11.069 -1.137 1.00 0.00 N ATOM 117 CA ARG A 86 0.744 11.398 -1.133 1.00 0.00 C ATOM 118 C ARG A 86 0.105 11.061 -2.487 1.00 0.00 C ATOM 119 O ARG A 86 -1.030 10.589 -2.547 1.00 0.00 O ATOM 120 CB ARG A 86 0.559 12.894 -0.799 1.00 0.00 C ATOM 121 CG ARG A 86 0.689 13.113 0.712 1.00 0.00 C ATOM 122 CD ARG A 86 0.554 14.605 1.049 1.00 0.00 C ATOM 123 NE ARG A 86 0.143 14.764 2.439 1.00 0.00 N ATOM 124 CZ ARG A 86 0.951 14.444 3.449 1.00 0.00 C ATOM 125 NH1 ARG A 86 2.167 14.035 3.211 1.00 0.00 N ATOM 126 NH2 ARG A 86 0.531 14.552 4.681 1.00 0.00 N ATOM 0 H ARG A 86 2.787 11.852 -0.935 1.00 0.00 H new ATOM 0 HA ARG A 86 0.244 10.800 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.305 13.488 -1.327 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.419 13.233 -1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.079 12.544 1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.653 12.741 1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.504 15.112 0.881 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.177 15.071 0.389 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.787 15.130 2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.501 13.960 2.250 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.784 13.791 3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.416 14.881 4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.150 14.307 5.454 1.00 0.00 H new ATOM 140 N GLU A 87 0.843 11.271 -3.568 1.00 0.00 N ATOM 141 CA GLU A 87 0.327 10.966 -4.899 1.00 0.00 C ATOM 142 C GLU A 87 0.340 9.457 -5.170 1.00 0.00 C ATOM 143 O GLU A 87 -0.709 8.826 -5.302 1.00 0.00 O ATOM 144 CB GLU A 87 1.176 11.691 -5.949 1.00 0.00 C ATOM 145 CG GLU A 87 0.968 13.202 -5.811 1.00 0.00 C ATOM 146 CD GLU A 87 1.908 13.948 -6.753 1.00 0.00 C ATOM 147 OE1 GLU A 87 2.590 13.290 -7.520 1.00 0.00 O ATOM 148 OE2 GLU A 87 1.934 15.167 -6.694 1.00 0.00 O ATOM 0 H GLU A 87 1.791 11.647 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.707 11.307 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.229 11.443 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.895 11.363 -6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.067 13.457 -6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.152 13.510 -4.782 1.00 0.00 H new ATOM 155 N ALA A 88 1.544 8.898 -5.271 1.00 0.00 N ATOM 156 CA ALA A 88 1.720 7.470 -5.555 1.00 0.00 C ATOM 157 C ALA A 88 0.659 6.638 -4.841 1.00 0.00 C ATOM 158 O ALA A 88 -0.055 5.856 -5.471 1.00 0.00 O ATOM 159 CB ALA A 88 3.116 7.027 -5.113 1.00 0.00 C ATOM 0 H ALA A 88 2.418 9.413 -5.160 1.00 0.00 H new ATOM 0 HA ALA A 88 1.610 7.313 -6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.245 5.966 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.868 7.599 -5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.231 7.200 -4.043 1.00 0.00 H new ATOM 165 N PHE A 89 0.549 6.820 -3.526 1.00 0.00 N ATOM 166 CA PHE A 89 -0.441 6.087 -2.750 1.00 0.00 C ATOM 167 C PHE A 89 -1.870 6.467 -3.169 1.00 0.00 C ATOM 168 O PHE A 89 -2.724 5.595 -3.328 1.00 0.00 O ATOM 169 CB PHE A 89 -0.229 6.351 -1.257 1.00 0.00 C ATOM 170 CG PHE A 89 0.831 5.411 -0.722 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.550 4.046 -0.590 1.00 0.00 C ATOM 172 CD2 PHE A 89 2.093 5.897 -0.366 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.526 3.174 -0.102 1.00 0.00 C ATOM 174 CE2 PHE A 89 3.068 5.021 0.123 1.00 0.00 C ATOM 175 CZ PHE A 89 2.785 3.665 0.254 1.00 0.00 C ATOM 0 H PHE A 89 1.127 7.462 -2.984 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.313 5.022 -2.946 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.075 7.386 -1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.164 6.208 -0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.423 3.667 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.315 6.949 -0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.308 2.121 0.000 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.042 5.398 0.399 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.540 2.991 0.631 1.00 0.00 H new ATOM 185 N ARG A 90 -2.129 7.766 -3.362 1.00 0.00 N ATOM 186 CA ARG A 90 -3.463 8.198 -3.776 1.00 0.00 C ATOM 187 C ARG A 90 -3.860 7.474 -5.067 1.00 0.00 C ATOM 188 O ARG A 90 -4.979 6.977 -5.195 1.00 0.00 O ATOM 189 CB ARG A 90 -3.478 9.722 -3.981 1.00 0.00 C ATOM 190 CG ARG A 90 -3.867 10.410 -2.662 1.00 0.00 C ATOM 191 CD ARG A 90 -3.787 11.911 -2.846 1.00 0.00 C ATOM 192 NE ARG A 90 -4.118 12.595 -1.597 1.00 0.00 N ATOM 193 CZ ARG A 90 -4.438 13.896 -1.572 1.00 0.00 C ATOM 194 NH1 ARG A 90 -4.471 14.588 -2.683 1.00 0.00 N ATOM 195 NH2 ARG A 90 -4.726 14.478 -0.433 1.00 0.00 N ATOM 0 H ARG A 90 -1.450 8.517 -3.241 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.185 7.948 -2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.497 10.066 -4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.187 9.988 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.876 10.120 -2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.199 10.093 -1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.784 12.192 -3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.473 12.225 -3.633 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.105 12.069 -0.723 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.253 14.137 -3.571 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.715 15.578 -2.660 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.706 13.940 0.434 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.970 15.468 -0.414 1.00 0.00 H new ATOM 209 N VAL A 91 -2.923 7.406 -6.006 1.00 0.00 N ATOM 210 CA VAL A 91 -3.164 6.733 -7.276 1.00 0.00 C ATOM 211 C VAL A 91 -3.432 5.246 -7.045 1.00 0.00 C ATOM 212 O VAL A 91 -4.324 4.660 -7.658 1.00 0.00 O ATOM 213 CB VAL A 91 -1.946 6.903 -8.191 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.148 6.114 -9.488 1.00 0.00 C ATOM 215 CG2 VAL A 91 -1.763 8.385 -8.526 1.00 0.00 C ATOM 0 H VAL A 91 -1.990 7.808 -5.912 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.038 7.179 -7.750 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.061 6.528 -7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.277 6.242 -10.131 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.275 5.057 -9.255 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.036 6.481 -10.003 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.897 8.507 -9.177 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.653 8.756 -9.034 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.608 8.949 -7.606 1.00 0.00 H new ATOM 225 N PHE A 92 -2.647 4.646 -6.156 1.00 0.00 N ATOM 226 CA PHE A 92 -2.794 3.225 -5.848 1.00 0.00 C ATOM 227 C PHE A 92 -4.219 2.915 -5.402 1.00 0.00 C ATOM 228 O PHE A 92 -4.853 2.009 -5.939 1.00 0.00 O ATOM 229 CB PHE A 92 -1.795 2.835 -4.736 1.00 0.00 C ATOM 230 CG PHE A 92 -0.477 2.412 -5.347 1.00 0.00 C ATOM 231 CD1 PHE A 92 0.050 3.111 -6.440 1.00 0.00 C ATOM 232 CD2 PHE A 92 0.205 1.306 -4.828 1.00 0.00 C ATOM 233 CE1 PHE A 92 1.259 2.705 -7.012 1.00 0.00 C ATOM 234 CE2 PHE A 92 1.412 0.900 -5.402 1.00 0.00 C ATOM 235 CZ PHE A 92 1.941 1.599 -6.494 1.00 0.00 C ATOM 0 H PHE A 92 -1.906 5.117 -5.638 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.584 2.646 -6.747 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.639 3.679 -4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.205 2.022 -4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.478 3.964 -6.841 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.201 0.767 -3.985 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.667 3.245 -7.854 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.938 0.045 -5.003 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.875 1.284 -6.936 1.00 0.00 H new ATOM 245 N ASP A 93 -4.724 3.664 -4.427 1.00 0.00 N ATOM 246 CA ASP A 93 -6.081 3.431 -3.948 1.00 0.00 C ATOM 247 C ASP A 93 -7.028 3.324 -5.142 1.00 0.00 C ATOM 248 O ASP A 93 -7.532 4.333 -5.636 1.00 0.00 O ATOM 249 CB ASP A 93 -6.515 4.585 -3.038 1.00 0.00 C ATOM 250 CG ASP A 93 -7.768 4.208 -2.256 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.045 3.026 -2.148 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.432 5.108 -1.776 1.00 0.00 O ATOM 0 H ASP A 93 -4.226 4.423 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.112 2.502 -3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.709 4.833 -2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.707 5.475 -3.637 1.00 0.00 H new ATOM 257 N LYS A 94 -7.246 2.094 -5.610 1.00 0.00 N ATOM 258 CA LYS A 94 -8.115 1.860 -6.759 1.00 0.00 C ATOM 259 C LYS A 94 -9.510 2.406 -6.489 1.00 0.00 C ATOM 260 O LYS A 94 -9.984 3.310 -7.179 1.00 0.00 O ATOM 261 CB LYS A 94 -8.206 0.355 -7.030 1.00 0.00 C ATOM 262 CG LYS A 94 -6.845 -0.170 -7.497 1.00 0.00 C ATOM 263 CD LYS A 94 -6.883 -1.702 -7.606 1.00 0.00 C ATOM 264 CE LYS A 94 -7.674 -2.130 -8.846 1.00 0.00 C ATOM 265 NZ LYS A 94 -7.407 -3.565 -9.134 1.00 0.00 N ATOM 0 H LYS A 94 -6.834 1.250 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.696 2.370 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.518 -0.169 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.963 0.158 -7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.590 0.265 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.068 0.134 -6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.868 -2.094 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.340 -2.125 -6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.740 -1.973 -8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.389 -1.517 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.183 -3.955 -9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.513 -3.653 -9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.338 -4.092 -8.240 1.00 0.00 H new ATOM 279 N ASP A 95 -10.153 1.851 -5.471 1.00 0.00 N ATOM 280 CA ASP A 95 -11.496 2.270 -5.088 1.00 0.00 C ATOM 281 C ASP A 95 -11.455 3.633 -4.411 1.00 0.00 C ATOM 282 O ASP A 95 -12.380 3.992 -3.682 1.00 0.00 O ATOM 283 CB ASP A 95 -12.088 1.245 -4.122 1.00 0.00 C ATOM 284 CG ASP A 95 -12.356 -0.067 -4.854 1.00 0.00 C ATOM 285 OD1 ASP A 95 -12.371 -0.051 -6.075 1.00 0.00 O ATOM 286 OD2 ASP A 95 -12.538 -1.073 -4.186 1.00 0.00 O ATOM 0 H ASP A 95 -9.765 1.106 -4.893 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.113 2.339 -5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.401 1.075 -3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -13.014 1.628 -3.695 1.00 0.00 H new ATOM 291 N GLY A 96 -10.376 4.383 -4.670 1.00 0.00 N ATOM 292 CA GLY A 96 -10.188 5.724 -4.101 1.00 0.00 C ATOM 293 C GLY A 96 -10.911 5.882 -2.762 1.00 0.00 C ATOM 294 O GLY A 96 -11.548 6.905 -2.507 1.00 0.00 O ATOM 0 H GLY A 96 -9.613 4.080 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.124 5.914 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.557 6.471 -4.803 1.00 0.00 H new ATOM 298 N ASN A 97 -10.827 4.856 -1.913 1.00 0.00 N ATOM 299 CA ASN A 97 -11.498 4.897 -0.619 1.00 0.00 C ATOM 300 C ASN A 97 -10.751 5.795 0.368 1.00 0.00 C ATOM 301 O ASN A 97 -11.162 5.930 1.521 1.00 0.00 O ATOM 302 CB ASN A 97 -11.651 3.482 -0.042 1.00 0.00 C ATOM 303 CG ASN A 97 -10.292 2.878 0.298 1.00 0.00 C ATOM 304 OD1 ASN A 97 -9.254 3.452 -0.034 1.00 0.00 O ATOM 305 ND2 ASN A 97 -10.242 1.740 0.945 1.00 0.00 N ATOM 0 H ASN A 97 -10.307 3.998 -2.097 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.490 5.320 -0.775 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.272 3.516 0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.165 2.846 -0.762 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.340 1.324 1.177 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.105 1.270 1.217 1.00 0.00 H new ATOM 312 N GLY A 98 -9.669 6.422 -0.093 1.00 0.00 N ATOM 313 CA GLY A 98 -8.893 7.325 0.761 1.00 0.00 C ATOM 314 C GLY A 98 -7.920 6.555 1.641 1.00 0.00 C ATOM 315 O GLY A 98 -7.193 7.142 2.444 1.00 0.00 O ATOM 0 H GLY A 98 -9.311 6.324 -1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.343 8.033 0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.569 7.908 1.387 1.00 0.00 H new ATOM 319 N TYR A 99 -7.907 5.237 1.481 1.00 0.00 N ATOM 320 CA TYR A 99 -7.017 4.378 2.261 1.00 0.00 C ATOM 321 C TYR A 99 -6.457 3.281 1.370 1.00 0.00 C ATOM 322 O TYR A 99 -6.664 3.317 0.160 1.00 0.00 O ATOM 323 CB TYR A 99 -7.770 3.774 3.439 1.00 0.00 C ATOM 324 CG TYR A 99 -8.393 4.885 4.257 1.00 0.00 C ATOM 325 CD1 TYR A 99 -7.611 5.615 5.164 1.00 0.00 C ATOM 326 CD2 TYR A 99 -9.752 5.184 4.108 1.00 0.00 C ATOM 327 CE1 TYR A 99 -8.193 6.642 5.921 1.00 0.00 C ATOM 328 CE2 TYR A 99 -10.333 6.211 4.864 1.00 0.00 C ATOM 329 CZ TYR A 99 -9.553 6.940 5.770 1.00 0.00 C ATOM 330 OH TYR A 99 -10.124 7.951 6.517 1.00 0.00 O ATOM 0 H TYR A 99 -8.501 4.738 0.819 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.192 4.974 2.650 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -8.542 3.093 3.081 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.090 3.188 4.058 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.562 5.386 5.279 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.354 4.622 3.409 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.592 7.204 6.621 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -11.382 6.440 4.748 1.00 0.00 H new ATOM 0 HH TYR A 99 -11.074 8.028 6.290 1.00 0.00 H new ATOM 340 N ILE A 100 -5.734 2.315 1.956 1.00 0.00 N ATOM 341 CA ILE A 100 -5.136 1.231 1.159 1.00 0.00 C ATOM 342 C ILE A 100 -5.507 -0.147 1.694 1.00 0.00 C ATOM 343 O ILE A 100 -5.271 -0.435 2.880 1.00 0.00 O ATOM 344 CB ILE A 100 -3.621 1.376 1.199 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.221 2.751 0.636 1.00 0.00 C ATOM 346 CG2 ILE A 100 -2.974 0.274 0.363 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.629 2.890 -0.845 1.00 0.00 C ATOM 0 H ILE A 100 -5.551 2.260 2.958 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.519 1.312 0.142 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.279 1.292 2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.696 3.538 1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.144 2.887 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.890 0.382 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.253 -0.700 0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.316 0.352 -0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.333 3.872 -1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.134 2.117 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.709 2.779 -0.937 1.00 0.00 H new ATOM 359 N SER A 101 -6.065 -0.997 0.802 1.00 0.00 N ATOM 360 CA SER A 101 -6.455 -2.366 1.154 1.00 0.00 C ATOM 361 C SER A 101 -5.444 -3.356 0.581 1.00 0.00 C ATOM 362 O SER A 101 -4.610 -2.997 -0.249 1.00 0.00 O ATOM 363 CB SER A 101 -7.846 -2.701 0.593 1.00 0.00 C ATOM 364 OG SER A 101 -7.974 -4.112 0.497 1.00 0.00 O ATOM 0 H SER A 101 -6.253 -0.749 -0.170 1.00 0.00 H new ATOM 0 HA SER A 101 -6.481 -2.440 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.622 -2.295 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.978 -2.243 -0.387 1.00 0.00 H new ATOM 0 HG SER A 101 -8.859 -4.337 0.142 1.00 0.00 H new ATOM 370 N ALA A 102 -5.529 -4.597 1.043 1.00 0.00 N ATOM 371 CA ALA A 102 -4.626 -5.661 0.595 1.00 0.00 C ATOM 372 C ALA A 102 -4.986 -6.161 -0.800 1.00 0.00 C ATOM 373 O ALA A 102 -4.103 -6.509 -1.579 1.00 0.00 O ATOM 374 CB ALA A 102 -4.666 -6.828 1.609 1.00 0.00 C ATOM 0 H ALA A 102 -6.218 -4.897 1.733 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.617 -5.251 0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.995 -7.621 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.349 -6.470 2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.682 -7.217 1.676 1.00 0.00 H new ATOM 380 N ALA A 103 -6.269 -6.219 -1.100 1.00 0.00 N ATOM 381 CA ALA A 103 -6.712 -6.710 -2.393 1.00 0.00 C ATOM 382 C ALA A 103 -6.191 -5.848 -3.544 1.00 0.00 C ATOM 383 O ALA A 103 -5.889 -6.356 -4.633 1.00 0.00 O ATOM 384 CB ALA A 103 -8.239 -6.737 -2.419 1.00 0.00 C ATOM 0 H ALA A 103 -7.020 -5.934 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.310 -7.714 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.580 -7.105 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.605 -7.396 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.624 -5.730 -2.257 1.00 0.00 H new ATOM 390 N GLU A 104 -6.101 -4.547 -3.312 1.00 0.00 N ATOM 391 CA GLU A 104 -5.635 -3.636 -4.341 1.00 0.00 C ATOM 392 C GLU A 104 -4.164 -3.877 -4.665 1.00 0.00 C ATOM 393 O GLU A 104 -3.742 -3.665 -5.800 1.00 0.00 O ATOM 394 CB GLU A 104 -5.810 -2.190 -3.867 1.00 0.00 C ATOM 395 CG GLU A 104 -7.270 -1.957 -3.483 1.00 0.00 C ATOM 396 CD GLU A 104 -7.475 -0.520 -3.004 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.499 0.205 -2.927 1.00 0.00 O ATOM 398 OE2 GLU A 104 -8.608 -0.166 -2.732 1.00 0.00 O ATOM 0 H GLU A 104 -6.343 -4.103 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.225 -3.813 -5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.162 -1.994 -3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.515 -1.498 -4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.914 -2.156 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.561 -2.654 -2.697 1.00 0.00 H new ATOM 405 N LEU A 105 -3.383 -4.301 -3.666 1.00 0.00 N ATOM 406 CA LEU A 105 -1.956 -4.538 -3.879 1.00 0.00 C ATOM 407 C LEU A 105 -1.719 -5.669 -4.875 1.00 0.00 C ATOM 408 O LEU A 105 -0.949 -5.520 -5.818 1.00 0.00 O ATOM 409 CB LEU A 105 -1.292 -4.897 -2.556 1.00 0.00 C ATOM 410 CG LEU A 105 -1.668 -3.862 -1.491 1.00 0.00 C ATOM 411 CD1 LEU A 105 -0.914 -4.172 -0.194 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.309 -2.447 -1.972 1.00 0.00 C ATOM 0 H LEU A 105 -3.710 -4.484 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.524 -3.623 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.607 -5.891 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.209 -4.930 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.742 -3.909 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.180 -3.437 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.185 -5.169 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.159 -4.131 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.582 -1.722 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.237 -2.388 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.853 -2.226 -2.890 1.00 0.00 H new ATOM 424 N ARG A 106 -2.375 -6.798 -4.662 1.00 0.00 N ATOM 425 CA ARG A 106 -2.205 -7.930 -5.561 1.00 0.00 C ATOM 426 C ARG A 106 -2.693 -7.595 -6.965 1.00 0.00 C ATOM 427 O ARG A 106 -2.004 -7.884 -7.945 1.00 0.00 O ATOM 428 CB ARG A 106 -2.958 -9.156 -5.035 1.00 0.00 C ATOM 429 CG ARG A 106 -4.397 -8.780 -4.665 1.00 0.00 C ATOM 430 CD ARG A 106 -5.104 -9.997 -4.068 1.00 0.00 C ATOM 431 NE ARG A 106 -6.506 -9.691 -3.824 1.00 0.00 N ATOM 432 CZ ARG A 106 -7.263 -10.463 -3.034 1.00 0.00 C ATOM 433 NH1 ARG A 106 -6.745 -11.497 -2.412 1.00 0.00 N ATOM 434 NH2 ARG A 106 -8.529 -10.172 -2.867 1.00 0.00 N ATOM 0 H ARG A 106 -3.020 -6.955 -3.888 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.140 -8.156 -5.606 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.963 -9.940 -5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.445 -9.559 -4.162 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.397 -7.958 -3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.932 -8.432 -5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.022 -10.845 -4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.620 -10.288 -3.136 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.921 -8.870 -4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.756 -11.719 -2.528 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.331 -12.078 -1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.932 -9.362 -3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.112 -10.756 -2.267 1.00 0.00 H new ATOM 448 N HIS A 107 -3.875 -6.990 -7.070 1.00 0.00 N ATOM 449 CA HIS A 107 -4.423 -6.636 -8.375 1.00 0.00 C ATOM 450 C HIS A 107 -3.612 -5.537 -9.066 1.00 0.00 C ATOM 451 O HIS A 107 -3.210 -5.690 -10.218 1.00 0.00 O ATOM 452 CB HIS A 107 -5.857 -6.145 -8.188 1.00 0.00 C ATOM 453 CG HIS A 107 -6.577 -6.120 -9.514 1.00 0.00 C ATOM 454 ND1 HIS A 107 -6.284 -5.508 -10.709 1.00 0.00 N flip ATOM 455 CD2 HIS A 107 -7.770 -6.795 -9.716 1.00 0.00 C flip ATOM 456 CE1 HIS A 107 -7.275 -5.802 -11.640 1.00 0.00 C flip ATOM 457 NE2 HIS A 107 -8.146 -6.579 -10.990 1.00 0.00 N flip ATOM 0 H HIS A 107 -4.464 -6.738 -6.277 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.386 -7.524 -9.005 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.384 -6.797 -7.492 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.853 -5.147 -7.749 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.301 -7.386 -8.985 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -7.329 -5.473 -12.667 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -8.993 -6.962 -11.409 1.00 0.00 H new ATOM 466 N VAL A 108 -3.376 -4.436 -8.365 1.00 0.00 N ATOM 467 CA VAL A 108 -2.622 -3.335 -8.956 1.00 0.00 C ATOM 468 C VAL A 108 -1.225 -3.807 -9.376 1.00 0.00 C ATOM 469 O VAL A 108 -0.794 -3.548 -10.497 1.00 0.00 O ATOM 470 CB VAL A 108 -2.527 -2.158 -7.965 1.00 0.00 C ATOM 471 CG1 VAL A 108 -1.448 -2.428 -6.914 1.00 0.00 C ATOM 472 CG2 VAL A 108 -2.177 -0.876 -8.718 1.00 0.00 C ATOM 0 H VAL A 108 -3.688 -4.281 -7.406 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.147 -2.991 -9.847 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.491 -2.047 -7.469 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.395 -1.587 -6.223 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.696 -3.335 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.484 -2.554 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.111 -0.047 -8.014 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.219 -1.001 -9.223 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.951 -0.665 -9.456 1.00 0.00 H new ATOM 482 N MET A 109 -0.524 -4.487 -8.477 1.00 0.00 N ATOM 483 CA MET A 109 0.816 -4.958 -8.786 1.00 0.00 C ATOM 484 C MET A 109 0.765 -5.844 -10.026 1.00 0.00 C ATOM 485 O MET A 109 1.597 -5.721 -10.926 1.00 0.00 O ATOM 486 CB MET A 109 1.363 -5.758 -7.603 1.00 0.00 C ATOM 487 CG MET A 109 1.781 -4.806 -6.476 1.00 0.00 C ATOM 488 SD MET A 109 3.259 -3.882 -6.975 1.00 0.00 S ATOM 489 CE MET A 109 4.263 -4.204 -5.502 1.00 0.00 C ATOM 0 H MET A 109 -0.857 -4.721 -7.542 1.00 0.00 H new ATOM 0 HA MET A 109 1.469 -4.106 -8.975 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.605 -6.453 -7.241 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.217 -6.356 -7.921 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.968 -4.116 -6.249 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.983 -5.371 -5.566 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.987 -3.400 -5.373 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.617 -4.255 -4.625 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.789 -5.151 -5.620 1.00 0.00 H new ATOM 499 N THR A 110 -0.237 -6.715 -10.079 1.00 0.00 N ATOM 500 CA THR A 110 -0.412 -7.593 -11.230 1.00 0.00 C ATOM 501 C THR A 110 -0.722 -6.761 -12.475 1.00 0.00 C ATOM 502 O THR A 110 -0.168 -7.001 -13.549 1.00 0.00 O ATOM 503 CB THR A 110 -1.542 -8.591 -10.971 1.00 0.00 C ATOM 504 OG1 THR A 110 -1.197 -9.412 -9.865 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.750 -9.471 -12.207 1.00 0.00 C ATOM 0 H THR A 110 -0.935 -6.832 -9.345 1.00 0.00 H new ATOM 0 HA THR A 110 0.512 -8.148 -11.392 1.00 0.00 H new ATOM 0 HB THR A 110 -2.462 -8.047 -10.756 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.571 -9.029 -9.044 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.556 -10.180 -12.017 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.011 -8.845 -13.060 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.831 -10.016 -12.425 1.00 0.00 H new ATOM 513 N ASN A 111 -1.605 -5.779 -12.316 1.00 0.00 N ATOM 514 CA ASN A 111 -1.980 -4.905 -13.423 1.00 0.00 C ATOM 515 C ASN A 111 -0.770 -4.125 -13.909 1.00 0.00 C ATOM 516 O ASN A 111 -0.580 -3.918 -15.109 1.00 0.00 O ATOM 517 CB ASN A 111 -3.064 -3.933 -12.964 1.00 0.00 C ATOM 518 CG ASN A 111 -3.450 -2.991 -14.104 1.00 0.00 C ATOM 519 OD1 ASN A 111 -2.673 -2.109 -14.472 1.00 0.00 O ATOM 520 ND2 ASN A 111 -4.611 -3.126 -14.688 1.00 0.00 N ATOM 0 H ASN A 111 -2.073 -5.569 -11.434 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.360 -5.516 -14.242 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.941 -4.487 -12.629 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.707 -3.356 -12.111 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.875 -2.501 -15.449 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.254 -3.857 -14.382 1.00 0.00 H new ATOM 527 N LEU A 112 0.047 -3.706 -12.961 1.00 0.00 N ATOM 528 CA LEU A 112 1.255 -2.953 -13.267 1.00 0.00 C ATOM 529 C LEU A 112 2.193 -3.793 -14.116 1.00 0.00 C ATOM 530 O LEU A 112 2.852 -3.277 -15.017 1.00 0.00 O ATOM 531 CB LEU A 112 1.957 -2.543 -11.961 1.00 0.00 C ATOM 532 CG LEU A 112 1.294 -1.278 -11.372 1.00 0.00 C ATOM 533 CD1 LEU A 112 1.561 -1.207 -9.861 1.00 0.00 C ATOM 534 CD2 LEU A 112 1.877 -0.019 -12.041 1.00 0.00 C ATOM 0 H LEU A 112 -0.103 -3.874 -11.966 1.00 0.00 H new ATOM 0 HA LEU A 112 0.983 -2.057 -13.825 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.905 -3.359 -11.240 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.013 -2.353 -12.152 1.00 0.00 H new ATOM 0 HG LEU A 112 0.221 -1.327 -11.556 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.091 -0.313 -9.450 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.146 -2.091 -9.376 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.636 -1.167 -9.683 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.404 0.869 -11.620 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.952 0.023 -11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.688 -0.057 -13.114 1.00 0.00 H new ATOM 546 N GLY A 113 2.252 -5.085 -13.819 1.00 0.00 N ATOM 547 CA GLY A 113 3.122 -6.001 -14.560 1.00 0.00 C ATOM 548 C GLY A 113 4.066 -6.738 -13.618 1.00 0.00 C ATOM 549 O GLY A 113 4.810 -7.621 -14.044 1.00 0.00 O ATOM 0 H GLY A 113 1.712 -5.525 -13.074 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.515 -6.721 -15.109 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.700 -5.443 -15.297 1.00 0.00 H new ATOM 553 N GLU A 114 4.038 -6.372 -12.335 1.00 0.00 N ATOM 554 CA GLU A 114 4.904 -7.010 -11.338 1.00 0.00 C ATOM 555 C GLU A 114 4.105 -7.986 -10.475 1.00 0.00 C ATOM 556 O GLU A 114 3.296 -7.575 -9.644 1.00 0.00 O ATOM 557 CB GLU A 114 5.540 -5.937 -10.454 1.00 0.00 C ATOM 558 CG GLU A 114 6.512 -6.594 -9.473 1.00 0.00 C ATOM 559 CD GLU A 114 7.221 -5.530 -8.644 1.00 0.00 C ATOM 560 OE1 GLU A 114 6.794 -4.388 -8.684 1.00 0.00 O ATOM 561 OE2 GLU A 114 8.184 -5.874 -7.975 1.00 0.00 O ATOM 0 H GLU A 114 3.430 -5.643 -11.962 1.00 0.00 H new ATOM 0 HA GLU A 114 5.684 -7.568 -11.856 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.066 -5.208 -11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.767 -5.395 -9.909 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.972 -7.277 -8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.245 -7.189 -10.019 1.00 0.00 H new ATOM 568 N LYS A 115 4.342 -9.282 -10.684 1.00 0.00 N ATOM 569 CA LYS A 115 3.643 -10.323 -9.929 1.00 0.00 C ATOM 570 C LYS A 115 3.967 -10.232 -8.443 1.00 0.00 C ATOM 571 O LYS A 115 4.971 -9.632 -8.059 1.00 0.00 O ATOM 572 CB LYS A 115 4.033 -11.699 -10.463 1.00 0.00 C ATOM 573 CG LYS A 115 5.522 -11.943 -10.218 1.00 0.00 C ATOM 574 CD LYS A 115 5.964 -13.222 -10.939 1.00 0.00 C ATOM 575 CE LYS A 115 5.335 -14.452 -10.274 1.00 0.00 C ATOM 576 NZ LYS A 115 6.042 -15.678 -10.732 1.00 0.00 N ATOM 0 H LYS A 115 5.011 -9.635 -11.368 1.00 0.00 H new ATOM 0 HA LYS A 115 2.570 -10.175 -10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 115 3.442 -12.472 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 115 3.815 -11.761 -11.529 1.00 0.00 H new ATOM 0 HG2 LYS A 115 6.103 -11.093 -10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.714 -12.032 -9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 115 5.670 -13.177 -11.988 1.00 0.00 H new ATOM 0 HD3 LYS A 115 7.051 -13.304 -10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.400 -14.365 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.276 -14.514 -10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.616 -16.513 -10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.958 -15.761 -11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.047 -15.618 -10.470 1.00 0.00 H new ATOM 590 N LEU A 116 3.108 -10.834 -7.610 1.00 0.00 N ATOM 591 CA LEU A 116 3.312 -10.822 -6.159 1.00 0.00 C ATOM 592 C LEU A 116 2.642 -12.040 -5.509 1.00 0.00 C ATOM 593 O LEU A 116 1.781 -12.673 -6.121 1.00 0.00 O ATOM 594 CB LEU A 116 2.721 -9.517 -5.574 1.00 0.00 C ATOM 595 CG LEU A 116 3.733 -8.834 -4.634 1.00 0.00 C ATOM 596 CD1 LEU A 116 4.803 -8.097 -5.452 1.00 0.00 C ATOM 597 CD2 LEU A 116 2.998 -7.835 -3.735 1.00 0.00 C ATOM 0 H LEU A 116 2.271 -11.332 -7.915 1.00 0.00 H new ATOM 0 HA LEU A 116 4.380 -10.868 -5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.454 -8.838 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.804 -9.740 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 116 4.218 -9.594 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.512 -7.619 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.330 -8.809 -6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.327 -7.339 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.712 -7.351 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.509 -7.081 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.249 -8.361 -3.143 1.00 0.00 H new ATOM 609 N THR A 117 3.010 -12.341 -4.258 1.00 0.00 N ATOM 610 CA THR A 117 2.395 -13.456 -3.541 1.00 0.00 C ATOM 611 C THR A 117 1.237 -12.934 -2.681 1.00 0.00 C ATOM 612 O THR A 117 1.432 -12.076 -1.819 1.00 0.00 O ATOM 613 CB THR A 117 3.434 -14.135 -2.640 1.00 0.00 C ATOM 614 OG1 THR A 117 4.223 -13.142 -2.003 1.00 0.00 O ATOM 615 CG2 THR A 117 4.339 -15.040 -3.481 1.00 0.00 C ATOM 0 H THR A 117 3.721 -11.834 -3.730 1.00 0.00 H new ATOM 0 HA THR A 117 2.018 -14.181 -4.263 1.00 0.00 H new ATOM 0 HB THR A 117 2.922 -14.737 -1.889 1.00 0.00 H new ATOM 0 HG1 THR A 117 5.173 -13.355 -2.118 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.075 -15.520 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.735 -15.803 -3.972 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.852 -14.442 -4.235 1.00 0.00 H new ATOM 623 N ASP A 118 0.039 -13.451 -2.936 1.00 0.00 N ATOM 624 CA ASP A 118 -1.148 -13.026 -2.197 1.00 0.00 C ATOM 625 C ASP A 118 -0.954 -13.242 -0.699 1.00 0.00 C ATOM 626 O ASP A 118 -1.346 -12.405 0.115 1.00 0.00 O ATOM 627 CB ASP A 118 -2.366 -13.832 -2.662 1.00 0.00 C ATOM 628 CG ASP A 118 -3.660 -13.150 -2.215 1.00 0.00 C ATOM 629 OD1 ASP A 118 -3.573 -12.094 -1.613 1.00 0.00 O ATOM 630 OD2 ASP A 118 -4.715 -13.697 -2.480 1.00 0.00 O ATOM 0 H ASP A 118 -0.137 -14.162 -3.646 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.308 -11.965 -2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.354 -13.927 -3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -2.320 -14.841 -2.253 1.00 0.00 H new ATOM 635 N GLU A 119 -0.357 -14.375 -0.343 1.00 0.00 N ATOM 636 CA GLU A 119 -0.130 -14.698 1.059 1.00 0.00 C ATOM 637 C GLU A 119 0.724 -13.611 1.723 1.00 0.00 C ATOM 638 O GLU A 119 0.493 -13.241 2.883 1.00 0.00 O ATOM 639 CB GLU A 119 0.574 -16.056 1.163 1.00 0.00 C ATOM 640 CG GLU A 119 -0.251 -17.109 0.418 1.00 0.00 C ATOM 641 CD GLU A 119 0.386 -18.494 0.572 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.368 -18.601 1.288 1.00 0.00 O ATOM 643 OE2 GLU A 119 -0.119 -19.428 -0.034 1.00 0.00 O ATOM 0 H GLU A 119 -0.024 -15.079 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 119 -1.089 -14.748 1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.576 -15.993 0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.689 -16.340 2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.269 -17.125 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.317 -16.848 -0.638 1.00 0.00 H new ATOM 650 N GLU A 120 1.681 -13.070 0.972 1.00 0.00 N ATOM 651 CA GLU A 120 2.522 -11.996 1.494 1.00 0.00 C ATOM 652 C GLU A 120 1.727 -10.699 1.566 1.00 0.00 C ATOM 653 O GLU A 120 1.801 -9.976 2.552 1.00 0.00 O ATOM 654 CB GLU A 120 3.750 -11.792 0.606 1.00 0.00 C ATOM 655 CG GLU A 120 4.655 -13.027 0.674 1.00 0.00 C ATOM 656 CD GLU A 120 5.231 -13.186 2.081 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.237 -12.208 2.811 1.00 0.00 O ATOM 658 OE2 GLU A 120 5.658 -14.281 2.408 1.00 0.00 O ATOM 0 H GLU A 120 1.891 -13.352 0.015 1.00 0.00 H new ATOM 0 HA GLU A 120 2.853 -12.276 2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.439 -11.614 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.301 -10.909 0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.088 -13.917 0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.465 -12.933 -0.049 1.00 0.00 H new ATOM 665 N VAL A 121 0.946 -10.429 0.523 1.00 0.00 N ATOM 666 CA VAL A 121 0.115 -9.226 0.486 1.00 0.00 C ATOM 667 C VAL A 121 -0.730 -9.151 1.754 1.00 0.00 C ATOM 668 O VAL A 121 -0.531 -8.279 2.602 1.00 0.00 O ATOM 669 CB VAL A 121 -0.798 -9.262 -0.749 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.908 -8.215 -0.627 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.027 -8.968 -2.002 1.00 0.00 C ATOM 0 H VAL A 121 0.870 -11.022 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 121 0.756 -8.346 0.428 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.248 -10.252 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.545 -8.255 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.506 -8.421 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.465 -7.223 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.621 -8.994 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.481 -7.981 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.809 -9.720 -2.107 1.00 0.00 H new ATOM 681 N ASP A 122 -1.668 -10.082 1.876 1.00 0.00 N ATOM 682 CA ASP A 122 -2.541 -10.136 3.038 1.00 0.00 C ATOM 683 C ASP A 122 -1.725 -9.957 4.315 1.00 0.00 C ATOM 684 O ASP A 122 -2.114 -9.194 5.198 1.00 0.00 O ATOM 685 CB ASP A 122 -3.259 -11.487 3.057 1.00 0.00 C ATOM 686 CG ASP A 122 -4.326 -11.523 4.146 1.00 0.00 C ATOM 687 OD1 ASP A 122 -4.391 -10.581 4.916 1.00 0.00 O ATOM 688 OD2 ASP A 122 -5.059 -12.496 4.194 1.00 0.00 O ATOM 0 H ASP A 122 -1.842 -10.810 1.183 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.275 -9.332 2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.719 -11.672 2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.536 -12.285 3.225 1.00 0.00 H new ATOM 693 N GLU A 123 -0.580 -10.640 4.399 1.00 0.00 N ATOM 694 CA GLU A 123 0.277 -10.509 5.573 1.00 0.00 C ATOM 695 C GLU A 123 0.959 -9.125 5.611 1.00 0.00 C ATOM 696 O GLU A 123 1.231 -8.591 6.685 1.00 0.00 O ATOM 697 CB GLU A 123 1.346 -11.605 5.578 1.00 0.00 C ATOM 698 CG GLU A 123 2.202 -11.492 6.847 1.00 0.00 C ATOM 699 CD GLU A 123 3.205 -12.642 6.905 1.00 0.00 C ATOM 700 OE1 GLU A 123 3.330 -13.343 5.913 1.00 0.00 O ATOM 701 OE2 GLU A 123 3.834 -12.802 7.937 1.00 0.00 O ATOM 0 H GLU A 123 -0.233 -11.277 3.682 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.352 -10.613 6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.874 -12.586 5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.977 -11.514 4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.729 -10.538 6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.563 -11.511 7.730 1.00 0.00 H new ATOM 708 N MET A 124 1.251 -8.573 4.429 1.00 0.00 N ATOM 709 CA MET A 124 1.929 -7.280 4.325 1.00 0.00 C ATOM 710 C MET A 124 1.209 -6.205 5.127 1.00 0.00 C ATOM 711 O MET A 124 1.715 -5.725 6.143 1.00 0.00 O ATOM 712 CB MET A 124 1.968 -6.856 2.855 1.00 0.00 C ATOM 713 CG MET A 124 2.980 -5.729 2.660 1.00 0.00 C ATOM 714 SD MET A 124 3.038 -5.270 0.905 1.00 0.00 S ATOM 715 CE MET A 124 4.791 -4.825 0.831 1.00 0.00 C ATOM 0 H MET A 124 1.028 -9.003 3.531 1.00 0.00 H new ATOM 0 HA MET A 124 2.936 -7.390 4.726 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.236 -7.708 2.230 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.979 -6.526 2.537 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.701 -4.866 3.264 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.966 -6.048 2.997 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.043 -4.507 -0.181 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.989 -4.010 1.527 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.398 -5.689 1.102 1.00 0.00 H new ATOM 725 N ILE A 125 0.026 -5.829 4.668 1.00 0.00 N ATOM 726 CA ILE A 125 -0.753 -4.804 5.353 1.00 0.00 C ATOM 727 C ILE A 125 -0.993 -5.211 6.809 1.00 0.00 C ATOM 728 O ILE A 125 -0.950 -4.375 7.706 1.00 0.00 O ATOM 729 CB ILE A 125 -2.109 -4.596 4.636 1.00 0.00 C ATOM 730 CG1 ILE A 125 -1.908 -3.709 3.391 1.00 0.00 C ATOM 731 CG2 ILE A 125 -3.122 -3.938 5.592 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.241 -3.534 2.647 1.00 0.00 C ATOM 0 H ILE A 125 -0.415 -6.213 3.832 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.194 -3.869 5.333 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.499 -5.566 4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.518 -2.736 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.169 -4.160 2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.071 -3.797 5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.273 -4.580 6.460 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.739 -2.971 5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.088 -2.906 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.614 -4.509 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.968 -3.062 3.308 1.00 0.00 H new ATOM 744 N ARG A 126 -1.277 -6.477 7.026 1.00 0.00 N ATOM 745 CA ARG A 126 -1.557 -6.958 8.366 1.00 0.00 C ATOM 746 C ARG A 126 -0.473 -6.526 9.351 1.00 0.00 C ATOM 747 O ARG A 126 -0.778 -6.128 10.474 1.00 0.00 O ATOM 748 CB ARG A 126 -1.662 -8.484 8.329 1.00 0.00 C ATOM 749 CG ARG A 126 -3.021 -8.919 7.743 1.00 0.00 C ATOM 750 CD ARG A 126 -4.066 -8.973 8.858 1.00 0.00 C ATOM 751 NE ARG A 126 -3.687 -9.979 9.835 1.00 0.00 N ATOM 752 CZ ARG A 126 -4.382 -10.125 10.958 1.00 0.00 C ATOM 753 NH1 ARG A 126 -5.410 -9.348 11.188 1.00 0.00 N ATOM 754 NH2 ARG A 126 -4.038 -11.035 11.829 1.00 0.00 N ATOM 0 H ARG A 126 -1.321 -7.190 6.298 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.498 -6.526 8.707 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.852 -8.895 7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -1.548 -8.887 9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.336 -8.219 6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.928 -9.897 7.270 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.150 -7.998 9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -5.045 -9.208 8.441 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.881 -10.578 9.657 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.673 -8.636 10.507 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.948 -9.455 12.048 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.234 -11.636 11.648 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.573 -11.145 12.690 1.00 0.00 H new ATOM 768 N GLU A 127 0.787 -6.600 8.939 1.00 0.00 N ATOM 769 CA GLU A 127 1.874 -6.200 9.824 1.00 0.00 C ATOM 770 C GLU A 127 1.966 -4.677 9.917 1.00 0.00 C ATOM 771 O GLU A 127 2.108 -4.123 11.008 1.00 0.00 O ATOM 772 CB GLU A 127 3.201 -6.794 9.339 1.00 0.00 C ATOM 773 CG GLU A 127 3.170 -8.316 9.516 1.00 0.00 C ATOM 774 CD GLU A 127 4.463 -8.933 8.988 1.00 0.00 C ATOM 775 OE1 GLU A 127 5.291 -8.188 8.491 1.00 0.00 O ATOM 776 OE2 GLU A 127 4.608 -10.141 9.088 1.00 0.00 O ATOM 0 H GLU A 127 1.078 -6.926 8.017 1.00 0.00 H new ATOM 0 HA GLU A 127 1.666 -6.587 10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.364 -6.542 8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.031 -6.368 9.903 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.043 -8.565 10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.315 -8.734 8.985 1.00 0.00 H new ATOM 783 N ALA A 128 1.883 -4.006 8.771 1.00 0.00 N ATOM 784 CA ALA A 128 1.962 -2.545 8.740 1.00 0.00 C ATOM 785 C ALA A 128 0.792 -1.918 9.504 1.00 0.00 C ATOM 786 O ALA A 128 0.985 -1.077 10.382 1.00 0.00 O ATOM 787 CB ALA A 128 1.952 -2.062 7.270 1.00 0.00 C ATOM 0 H ALA A 128 1.762 -4.444 7.858 1.00 0.00 H new ATOM 0 HA ALA A 128 2.888 -2.234 9.223 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.011 -0.974 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.807 -2.484 6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 128 1.031 -2.387 6.786 1.00 0.00 H new ATOM 793 N ASP A 129 -0.418 -2.333 9.144 1.00 0.00 N ATOM 794 CA ASP A 129 -1.624 -1.805 9.776 1.00 0.00 C ATOM 795 C ASP A 129 -1.443 -1.744 11.283 1.00 0.00 C ATOM 796 O ASP A 129 -1.090 -2.738 11.914 1.00 0.00 O ATOM 797 CB ASP A 129 -2.816 -2.696 9.436 1.00 0.00 C ATOM 798 CG ASP A 129 -4.102 -2.072 9.959 1.00 0.00 C ATOM 799 OD1 ASP A 129 -4.066 -1.522 11.041 1.00 0.00 O ATOM 800 OD2 ASP A 129 -5.101 -2.144 9.261 1.00 0.00 O ATOM 0 H ASP A 129 -0.591 -3.031 8.420 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.807 -0.798 9.401 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -2.882 -2.832 8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -2.678 -3.684 9.874 1.00 0.00 H new ATOM 805 N ILE A 130 -1.670 -0.561 11.850 1.00 0.00 N ATOM 806 CA ILE A 130 -1.516 -0.360 13.294 1.00 0.00 C ATOM 807 C ILE A 130 -2.825 -0.638 14.022 1.00 0.00 C ATOM 808 O ILE A 130 -2.828 -1.051 15.182 1.00 0.00 O ATOM 809 CB ILE A 130 -1.059 1.076 13.593 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.265 1.338 12.879 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.860 1.244 15.111 1.00 0.00 C ATOM 812 CD1 ILE A 130 0.700 2.790 13.120 1.00 0.00 C ATOM 0 H ILE A 130 -1.960 0.271 11.336 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.758 -1.059 13.649 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.813 1.782 13.244 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.029 0.653 13.246 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.157 1.153 11.810 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.536 2.262 15.325 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.801 1.047 15.625 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.103 0.541 15.459 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.645 2.976 12.610 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -0.061 3.467 12.732 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.825 2.960 14.189 1.00 0.00 H new ATOM 824 N ASP A 131 -3.932 -0.401 13.332 1.00 0.00 N ATOM 825 CA ASP A 131 -5.264 -0.621 13.910 1.00 0.00 C ATOM 826 C ASP A 131 -5.784 -2.022 13.584 1.00 0.00 C ATOM 827 O ASP A 131 -6.869 -2.407 14.023 1.00 0.00 O ATOM 828 CB ASP A 131 -6.239 0.429 13.370 1.00 0.00 C ATOM 829 CG ASP A 131 -5.855 1.813 13.891 1.00 0.00 C ATOM 830 OD1 ASP A 131 -5.050 1.880 14.807 1.00 0.00 O ATOM 831 OD2 ASP A 131 -6.370 2.788 13.366 1.00 0.00 O ATOM 0 H ASP A 131 -3.941 -0.057 12.372 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.185 -0.530 14.993 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.225 0.424 12.280 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -7.256 0.185 13.677 1.00 0.00 H new ATOM 836 N GLY A 132 -5.007 -2.774 12.808 1.00 0.00 N ATOM 837 CA GLY A 132 -5.395 -4.131 12.425 1.00 0.00 C ATOM 838 C GLY A 132 -6.869 -4.183 12.030 1.00 0.00 C ATOM 839 O GLY A 132 -7.679 -4.833 12.693 1.00 0.00 O ATOM 0 H GLY A 132 -4.109 -2.469 12.433 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.779 -4.469 11.592 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.212 -4.814 13.254 1.00 0.00 H new ATOM 843 N ASP A 133 -7.217 -3.476 10.953 1.00 0.00 N ATOM 844 CA ASP A 133 -8.600 -3.428 10.476 1.00 0.00 C ATOM 845 C ASP A 133 -8.687 -3.820 9.005 1.00 0.00 C ATOM 846 O ASP A 133 -9.724 -4.297 8.545 1.00 0.00 O ATOM 847 CB ASP A 133 -9.141 -2.012 10.653 1.00 0.00 C ATOM 848 CG ASP A 133 -8.212 -1.015 9.968 1.00 0.00 C ATOM 849 OD1 ASP A 133 -7.016 -1.089 10.201 1.00 0.00 O ATOM 850 OD2 ASP A 133 -8.709 -0.196 9.216 1.00 0.00 O ATOM 0 H ASP A 133 -6.561 -2.929 10.395 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.192 -4.136 11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -10.143 -1.940 10.229 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -9.226 -1.775 11.714 1.00 0.00 H new ATOM 855 N GLY A 134 -7.589 -3.624 8.269 1.00 0.00 N ATOM 856 CA GLY A 134 -7.545 -3.966 6.842 1.00 0.00 C ATOM 857 C GLY A 134 -7.247 -2.742 5.983 1.00 0.00 C ATOM 858 O GLY A 134 -7.168 -2.838 4.760 1.00 0.00 O ATOM 0 H GLY A 134 -6.721 -3.232 8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -6.782 -4.726 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.499 -4.400 6.541 1.00 0.00 H new ATOM 862 N GLN A 135 -7.074 -1.589 6.621 1.00 0.00 N ATOM 863 CA GLN A 135 -6.776 -0.354 5.892 1.00 0.00 C ATOM 864 C GLN A 135 -5.683 0.420 6.608 1.00 0.00 C ATOM 865 O GLN A 135 -5.701 0.556 7.830 1.00 0.00 O ATOM 866 CB GLN A 135 -8.040 0.507 5.775 1.00 0.00 C ATOM 867 CG GLN A 135 -8.995 -0.110 4.741 1.00 0.00 C ATOM 868 CD GLN A 135 -8.546 0.234 3.318 1.00 0.00 C ATOM 869 OE1 GLN A 135 -9.198 -0.156 2.351 1.00 0.00 O ATOM 870 NE2 GLN A 135 -7.467 0.947 3.129 1.00 0.00 N ATOM 0 H GLN A 135 -7.134 -1.480 7.633 1.00 0.00 H new ATOM 0 HA GLN A 135 -6.431 -0.610 4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.534 0.577 6.744 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -7.774 1.522 5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -9.025 -1.192 4.867 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -10.007 0.259 4.908 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -6.924 1.272 3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -7.168 1.178 2.182 1.00 0.00 H new ATOM 879 N VAL A 136 -4.733 0.940 5.830 1.00 0.00 N ATOM 880 CA VAL A 136 -3.628 1.717 6.397 1.00 0.00 C ATOM 881 C VAL A 136 -3.418 3.002 5.600 1.00 0.00 C ATOM 882 O VAL A 136 -3.554 3.017 4.369 1.00 0.00 O ATOM 883 CB VAL A 136 -2.339 0.872 6.404 1.00 0.00 C ATOM 884 CG1 VAL A 136 -2.685 -0.583 6.654 1.00 0.00 C ATOM 885 CG2 VAL A 136 -1.610 0.991 5.069 1.00 0.00 C ATOM 0 H VAL A 136 -4.705 0.839 4.815 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.877 1.986 7.424 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.688 1.242 7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.772 -1.179 6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.185 -0.678 7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.347 -0.940 5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.703 0.387 5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.259 0.638 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -1.347 2.033 4.890 1.00 0.00 H new ATOM 895 N ASN A 137 -3.091 4.075 6.306 1.00 0.00 N ATOM 896 CA ASN A 137 -2.870 5.356 5.654 1.00 0.00 C ATOM 897 C ASN A 137 -1.621 5.300 4.777 1.00 0.00 C ATOM 898 O ASN A 137 -1.227 4.230 4.310 1.00 0.00 O ATOM 899 CB ASN A 137 -2.724 6.458 6.699 1.00 0.00 C ATOM 900 CG ASN A 137 -3.954 6.474 7.599 1.00 0.00 C ATOM 901 OD1 ASN A 137 -5.082 6.535 7.108 1.00 0.00 O ATOM 902 ND2 ASN A 137 -3.802 6.416 8.896 1.00 0.00 N ATOM 0 H ASN A 137 -2.974 4.084 7.319 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.731 5.577 5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.827 6.292 7.295 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.607 7.425 6.209 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.619 6.421 9.506 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.866 6.366 9.298 1.00 0.00 H new ATOM 909 N TYR A 138 -1.015 6.461 4.540 1.00 0.00 N ATOM 910 CA TYR A 138 0.176 6.534 3.701 1.00 0.00 C ATOM 911 C TYR A 138 1.434 6.079 4.448 1.00 0.00 C ATOM 912 O TYR A 138 2.159 5.212 3.971 1.00 0.00 O ATOM 913 CB TYR A 138 0.362 7.974 3.206 1.00 0.00 C ATOM 914 CG TYR A 138 -0.994 8.568 2.882 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.815 7.954 1.928 1.00 0.00 C ATOM 916 CD2 TYR A 138 -1.436 9.724 3.542 1.00 0.00 C ATOM 917 CE1 TYR A 138 -3.075 8.496 1.631 1.00 0.00 C ATOM 918 CE2 TYR A 138 -2.696 10.265 3.246 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.515 9.650 2.291 1.00 0.00 C ATOM 920 OH TYR A 138 -4.756 10.182 2.001 1.00 0.00 O ATOM 0 H TYR A 138 -1.327 7.357 4.914 1.00 0.00 H new ATOM 0 HA TYR A 138 0.033 5.859 2.857 1.00 0.00 H new ATOM 0 HB2 TYR A 138 0.862 8.572 3.968 1.00 0.00 H new ATOM 0 HB3 TYR A 138 0.999 7.988 2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -1.478 7.062 1.420 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -0.805 10.198 4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -3.706 8.023 0.893 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -3.034 11.156 3.755 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.905 10.981 2.548 1.00 0.00 H new ATOM 930 N GLU A 139 1.689 6.670 5.622 1.00 0.00 N ATOM 931 CA GLU A 139 2.878 6.323 6.407 1.00 0.00 C ATOM 932 C GLU A 139 2.906 4.840 6.732 1.00 0.00 C ATOM 933 O GLU A 139 3.777 4.110 6.222 1.00 0.00 O ATOM 934 CB GLU A 139 2.915 7.153 7.687 1.00 0.00 C ATOM 935 CG GLU A 139 3.180 8.609 7.304 1.00 0.00 C ATOM 936 CD GLU A 139 3.118 9.491 8.539 1.00 0.00 C ATOM 937 OE1 GLU A 139 2.954 8.949 9.619 1.00 0.00 O ATOM 938 OE2 GLU A 139 3.235 10.697 8.391 1.00 0.00 O ATOM 0 H GLU A 139 1.095 7.383 6.045 1.00 0.00 H new ATOM 0 HA GLU A 139 3.762 6.549 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 139 1.970 7.067 8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.695 6.787 8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 139 4.159 8.697 6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 139 2.443 8.941 6.573 1.00 0.00 H new ATOM 945 N GLU A 140 1.965 4.418 7.605 1.00 0.00 N ATOM 946 CA GLU A 140 1.850 3.010 8.034 1.00 0.00 C ATOM 947 C GLU A 140 2.286 2.093 6.893 1.00 0.00 C ATOM 948 O GLU A 140 2.815 1.004 7.111 1.00 0.00 O ATOM 949 CB GLU A 140 0.391 2.687 8.384 1.00 0.00 C ATOM 950 CG GLU A 140 -0.039 3.422 9.657 1.00 0.00 C ATOM 951 CD GLU A 140 -1.514 3.160 9.937 1.00 0.00 C ATOM 952 OE1 GLU A 140 -1.860 2.014 10.160 1.00 0.00 O ATOM 953 OE2 GLU A 140 -2.271 4.109 9.928 1.00 0.00 O ATOM 0 H GLU A 140 1.272 5.037 8.027 1.00 0.00 H new ATOM 0 HA GLU A 140 2.484 2.856 8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.258 2.974 7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.275 1.612 8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.565 3.088 10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.134 4.492 9.545 1.00 0.00 H new ATOM 960 N PHE A 141 2.084 2.585 5.666 1.00 0.00 N ATOM 961 CA PHE A 141 2.476 1.858 4.467 1.00 0.00 C ATOM 962 C PHE A 141 3.913 2.204 4.059 1.00 0.00 C ATOM 963 O PHE A 141 4.725 1.304 3.864 1.00 0.00 O ATOM 964 CB PHE A 141 1.534 2.209 3.309 1.00 0.00 C ATOM 965 CG PHE A 141 1.452 1.047 2.347 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.599 0.609 1.677 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.231 0.405 2.131 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.526 -0.470 0.794 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.157 -0.670 1.247 1.00 0.00 C ATOM 970 CZ PHE A 141 1.304 -1.111 0.579 1.00 0.00 C ATOM 0 H PHE A 141 1.649 3.489 5.483 1.00 0.00 H new ATOM 0 HA PHE A 141 2.416 0.792 4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.542 2.445 3.694 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.895 3.097 2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.543 1.107 1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.655 0.741 2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.413 -0.808 0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.788 -1.164 1.077 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.245 -1.947 -0.103 1.00 0.00 H new ATOM 980 N VAL A 142 4.199 3.508 3.896 1.00 0.00 N ATOM 981 CA VAL A 142 5.527 3.964 3.466 1.00 0.00 C ATOM 982 C VAL A 142 6.614 3.060 4.011 1.00 0.00 C ATOM 983 O VAL A 142 7.379 2.469 3.250 1.00 0.00 O ATOM 984 CB VAL A 142 5.775 5.395 3.955 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.262 5.764 3.807 1.00 0.00 C ATOM 986 CG2 VAL A 142 4.917 6.384 3.140 1.00 0.00 C ATOM 0 H VAL A 142 3.529 4.260 4.056 1.00 0.00 H new ATOM 0 HA VAL A 142 5.555 3.934 2.377 1.00 0.00 H new ATOM 0 HB VAL A 142 5.498 5.454 5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.421 6.783 4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.868 5.078 4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.552 5.693 2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.098 7.399 3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.183 6.313 2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 142 3.862 6.139 3.265 1.00 0.00 H new ATOM 996 N GLN A 143 6.704 2.976 5.334 1.00 0.00 N ATOM 997 CA GLN A 143 7.746 2.157 5.958 1.00 0.00 C ATOM 998 C GLN A 143 7.938 0.845 5.186 1.00 0.00 C ATOM 999 O GLN A 143 8.979 0.629 4.565 1.00 0.00 O ATOM 1000 CB GLN A 143 7.328 1.840 7.400 1.00 0.00 C ATOM 1001 CG GLN A 143 7.652 3.023 8.317 1.00 0.00 C ATOM 1002 CD GLN A 143 7.087 4.317 7.736 1.00 0.00 C ATOM 1003 OE1 GLN A 143 5.870 4.461 7.601 1.00 0.00 O ATOM 1004 NE2 GLN A 143 7.908 5.271 7.379 1.00 0.00 N ATOM 0 H GLN A 143 6.083 3.453 5.987 1.00 0.00 H new ATOM 0 HA GLN A 143 8.687 2.708 5.946 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.260 1.623 7.438 1.00 0.00 H new ATOM 0 HB3 GLN A 143 7.847 0.947 7.749 1.00 0.00 H new ATOM 0 HG2 GLN A 143 7.233 2.849 9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 143 8.732 3.112 8.438 1.00 0.00 H new ATOM 0 HE21 GLN A 143 8.914 5.147 7.493 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.542 6.139 6.987 1.00 0.00 H new ATOM 1013 N MET A 144 6.942 -0.025 5.224 1.00 0.00 N ATOM 1014 CA MET A 144 7.047 -1.302 4.527 1.00 0.00 C ATOM 1015 C MET A 144 7.452 -1.084 3.075 1.00 0.00 C ATOM 1016 O MET A 144 8.325 -1.782 2.560 1.00 0.00 O ATOM 1017 CB MET A 144 5.701 -2.023 4.580 1.00 0.00 C ATOM 1018 CG MET A 144 5.274 -2.216 6.035 1.00 0.00 C ATOM 1019 SD MET A 144 6.468 -3.262 6.906 1.00 0.00 S ATOM 1020 CE MET A 144 5.582 -4.835 6.731 1.00 0.00 C ATOM 0 H MET A 144 6.064 0.123 5.721 1.00 0.00 H new ATOM 0 HA MET A 144 7.809 -1.909 5.016 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.948 -1.446 4.044 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.776 -2.990 4.082 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.199 -1.248 6.531 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.285 -2.672 6.074 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.155 -5.630 7.208 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.604 -4.757 7.207 1.00 0.00 H new ATOM 0 HE3 MET A 144 5.454 -5.065 5.673 1.00 0.00 H new ATOM 1030 N MET A 145 6.812 -0.127 2.408 1.00 0.00 N ATOM 1031 CA MET A 145 7.115 0.150 1.007 1.00 0.00 C ATOM 1032 C MET A 145 8.622 0.087 0.755 1.00 0.00 C ATOM 1033 O MET A 145 9.103 -0.804 0.056 1.00 0.00 O ATOM 1034 CB MET A 145 6.581 1.542 0.631 1.00 0.00 C ATOM 1035 CG MET A 145 6.374 1.655 -0.884 1.00 0.00 C ATOM 1036 SD MET A 145 5.436 3.160 -1.253 1.00 0.00 S ATOM 1037 CE MET A 145 6.676 4.354 -0.701 1.00 0.00 C ATOM 0 H MET A 145 6.086 0.465 2.811 1.00 0.00 H new ATOM 0 HA MET A 145 6.632 -0.607 0.389 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.638 1.726 1.146 1.00 0.00 H new ATOM 0 HB3 MET A 145 7.281 2.308 0.965 1.00 0.00 H new ATOM 0 HG2 MET A 145 7.338 1.680 -1.393 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.840 0.780 -1.255 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.482 5.321 -1.165 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.627 4.455 0.383 1.00 0.00 H new ATOM 0 HE3 MET A 145 7.669 4.007 -0.988 1.00 0.00 H new ATOM 1047 N THR A 146 9.366 1.034 1.331 1.00 0.00 N ATOM 1048 CA THR A 146 10.817 1.062 1.157 1.00 0.00 C ATOM 1049 C THR A 146 11.497 0.250 2.254 1.00 0.00 C ATOM 1050 O THR A 146 12.193 -0.726 1.975 1.00 0.00 O ATOM 1051 CB THR A 146 11.321 2.508 1.202 1.00 0.00 C ATOM 1052 OG1 THR A 146 10.931 3.106 2.433 1.00 0.00 O ATOM 1053 CG2 THR A 146 10.728 3.299 0.033 1.00 0.00 C ATOM 0 H THR A 146 8.992 1.782 1.915 1.00 0.00 H new ATOM 0 HA THR A 146 11.060 0.624 0.189 1.00 0.00 H new ATOM 0 HB THR A 146 12.408 2.516 1.123 1.00 0.00 H new ATOM 0 HG1 THR A 146 11.254 4.031 2.464 1.00 0.00 H new ATOM 0 HG21 THR A 146 11.089 4.327 0.069 1.00 0.00 H new ATOM 0 HG22 THR A 146 11.032 2.840 -0.908 1.00 0.00 H new ATOM 0 HG23 THR A 146 9.640 3.294 0.105 1.00 0.00 H new ATOM 1061 N ALA A 147 11.286 0.657 3.503 1.00 0.00 N ATOM 1062 CA ALA A 147 11.882 -0.039 4.639 1.00 0.00 C ATOM 1063 C ALA A 147 11.628 -1.539 4.536 1.00 0.00 C ATOM 1064 O ALA A 147 10.492 -1.989 4.680 1.00 0.00 O ATOM 1065 CB ALA A 147 11.289 0.511 5.948 1.00 0.00 C ATOM 0 H ALA A 147 10.710 1.461 3.753 1.00 0.00 H new ATOM 0 HA ALA A 147 12.959 0.129 4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 147 11.734 -0.009 6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 147 11.502 1.577 6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 147 10.210 0.355 5.953 1.00 0.00 H new ATOM 1071 N LYS A 148 12.687 -2.313 4.297 1.00 0.00 N ATOM 1072 CA LYS A 148 12.539 -3.757 4.185 1.00 0.00 C ATOM 1073 C LYS A 148 11.408 -4.096 3.213 1.00 0.00 C ATOM 1074 O LYS A 148 10.402 -4.621 3.660 1.00 0.00 O ATOM 1075 CB LYS A 148 12.246 -4.364 5.565 1.00 0.00 C ATOM 1076 CG LYS A 148 13.488 -4.236 6.463 1.00 0.00 C ATOM 1077 CD LYS A 148 13.174 -4.780 7.865 1.00 0.00 C ATOM 1078 CE LYS A 148 14.417 -4.684 8.761 1.00 0.00 C ATOM 1079 NZ LYS A 148 14.104 -5.214 10.118 1.00 0.00 N ATOM 1080 OXT LYS A 148 11.563 -3.821 2.034 1.00 0.00 O ATOM 0 H LYS A 148 13.640 -1.968 4.180 1.00 0.00 H new ATOM 0 HA LYS A 148 13.469 -4.178 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 148 11.399 -3.854 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 148 11.968 -5.413 5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 148 14.322 -4.787 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 148 13.795 -3.192 6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 148 12.353 -4.215 8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 148 12.846 -5.817 7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 148 15.238 -5.249 8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 148 14.746 -3.647 8.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 14.949 -5.147 10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 13.333 -4.657 10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 13.811 -6.209 10.043 1.00 0.00 H new TER 1094 LYS A 148 HETATM 1095 CA CA A 201 -8.000 0.704 -0.319 1.00 0.00 CA HETATM 1096 CA CA A 202 -4.668 0.838 10.203 1.00 0.00 CA