USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 451 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 37 CYS SG : rot 174:sc= -0.844 USER MOD Set 1.2: A 39 HIS : no HE2:sc= -1.23 K(o=-2.1,f=-3.3) USER MOD Set 1.3: A 62 CYS SG : rot 55:sc= 0.187 USER MOD Set 1.4: A 65 CYS SG : rot -46:sc= -0.205 USER MOD Set 2.1: A 22 CYS SG : rot 90:sc= 1.36 USER MOD Set 2.2: A 25 CYS SG : rot -65:sc= -0.747 USER MOD Set 2.3: A 42 CYS SG : rot 79:sc= 0.863 USER MOD Set 2.4: A 45 CYS SG : rot 127:sc= -0.455 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 19:sc= 0.202 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0133) USER MOD Single : A 21 THR OG1 : rot 25:sc= 0.208 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.217 USER MOD Single : A 38 ASN : amide:sc= -0.0651 K(o=-0.065,f=-1.2!) USER MOD Single : A 40 SER OG : rot 180:sc= -2.53! USER MOD Single : A 47 THR OG1 : rot 86:sc= 0.659 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.32 K(o=-1.3,f=0.17) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.856 K(o=-0.86,f=-0.015) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 31.632 -7.463 -29.161 1.00 0.00 N ATOM 31 CA GLY A 4 31.051 -8.363 -30.139 1.00 0.00 C ATOM 32 C GLY A 4 31.055 -9.806 -29.673 1.00 0.00 C ATOM 33 O GLY A 4 32.059 -10.295 -29.156 1.00 0.00 O ATOM 0 HA2 GLY A 4 30.027 -8.055 -30.348 1.00 0.00 H new ATOM 0 HA3 GLY A 4 31.605 -8.285 -31.074 1.00 0.00 H new ATOM 37 N SER A 5 29.929 -10.488 -29.855 1.00 0.00 N ATOM 38 CA SER A 5 29.804 -11.882 -29.444 1.00 0.00 C ATOM 39 C SER A 5 28.533 -12.504 -30.013 1.00 0.00 C ATOM 40 O SER A 5 27.582 -11.800 -30.353 1.00 0.00 O ATOM 41 CB SER A 5 29.799 -11.987 -27.918 1.00 0.00 C ATOM 42 OG SER A 5 30.159 -13.291 -27.495 1.00 0.00 O ATOM 0 H SER A 5 29.090 -10.098 -30.284 1.00 0.00 H new ATOM 0 HA SER A 5 30.662 -12.429 -29.835 1.00 0.00 H new ATOM 0 HB2 SER A 5 30.494 -11.260 -27.498 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.809 -11.738 -27.536 1.00 0.00 H new ATOM 0 HG SER A 5 30.150 -13.331 -26.516 1.00 0.00 H new ATOM 48 N SER A 6 28.524 -13.830 -30.113 1.00 0.00 N ATOM 49 CA SER A 6 27.372 -14.549 -30.644 1.00 0.00 C ATOM 50 C SER A 6 27.169 -15.869 -29.907 1.00 0.00 C ATOM 51 O SER A 6 28.095 -16.402 -29.298 1.00 0.00 O ATOM 52 CB SER A 6 27.553 -14.810 -32.141 1.00 0.00 C ATOM 53 OG SER A 6 27.770 -13.600 -32.846 1.00 0.00 O ATOM 0 H SER A 6 29.302 -14.428 -29.833 1.00 0.00 H new ATOM 0 HA SER A 6 26.488 -13.930 -30.495 1.00 0.00 H new ATOM 0 HB2 SER A 6 28.397 -15.482 -32.297 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.669 -15.311 -32.536 1.00 0.00 H new ATOM 0 HG SER A 6 27.884 -13.793 -33.800 1.00 0.00 H new ATOM 59 N GLY A 7 25.948 -16.392 -29.967 1.00 0.00 N ATOM 60 CA GLY A 7 25.643 -17.645 -29.302 1.00 0.00 C ATOM 61 C GLY A 7 24.365 -18.278 -29.815 1.00 0.00 C ATOM 62 O GLY A 7 23.616 -17.657 -30.568 1.00 0.00 O ATOM 0 H GLY A 7 25.164 -15.970 -30.465 1.00 0.00 H new ATOM 0 HA2 GLY A 7 26.471 -18.339 -29.444 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.554 -17.471 -28.230 1.00 0.00 H new ATOM 66 N MET A 8 24.116 -19.518 -29.407 1.00 0.00 N ATOM 67 CA MET A 8 22.920 -20.236 -29.832 1.00 0.00 C ATOM 68 C MET A 8 21.985 -20.480 -28.651 1.00 0.00 C ATOM 69 O MET A 8 22.433 -20.651 -27.518 1.00 0.00 O ATOM 70 CB MET A 8 23.301 -21.568 -30.479 1.00 0.00 C ATOM 71 CG MET A 8 22.177 -22.194 -31.290 1.00 0.00 C ATOM 72 SD MET A 8 22.507 -23.912 -31.724 1.00 0.00 S ATOM 73 CE MET A 8 21.655 -24.034 -33.295 1.00 0.00 C ATOM 0 H MET A 8 24.726 -20.046 -28.783 1.00 0.00 H new ATOM 0 HA MET A 8 22.399 -19.621 -30.565 1.00 0.00 H new ATOM 0 HB2 MET A 8 24.163 -21.414 -31.127 1.00 0.00 H new ATOM 0 HB3 MET A 8 23.608 -22.266 -29.700 1.00 0.00 H new ATOM 0 HG2 MET A 8 21.249 -22.139 -30.721 1.00 0.00 H new ATOM 0 HG3 MET A 8 22.026 -21.616 -32.202 1.00 0.00 H new ATOM 0 HE1 MET A 8 21.768 -25.043 -33.693 1.00 0.00 H new ATOM 0 HE2 MET A 8 20.597 -23.816 -33.153 1.00 0.00 H new ATOM 0 HE3 MET A 8 22.082 -23.318 -33.997 1.00 0.00 H new ATOM 83 N ALA A 9 20.684 -20.493 -28.925 1.00 0.00 N ATOM 84 CA ALA A 9 19.687 -20.718 -27.885 1.00 0.00 C ATOM 85 C ALA A 9 18.473 -21.454 -28.440 1.00 0.00 C ATOM 86 O ALA A 9 18.197 -21.402 -29.638 1.00 0.00 O ATOM 87 CB ALA A 9 19.266 -19.394 -27.264 1.00 0.00 C ATOM 0 H ALA A 9 20.296 -20.350 -29.858 1.00 0.00 H new ATOM 0 HA ALA A 9 20.136 -21.343 -27.113 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.521 -19.576 -26.489 1.00 0.00 H new ATOM 0 HB2 ALA A 9 20.136 -18.906 -26.824 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.839 -18.751 -28.033 1.00 0.00 H new ATOM 93 N SER A 10 17.750 -22.140 -27.560 1.00 0.00 N ATOM 94 CA SER A 10 16.567 -22.892 -27.963 1.00 0.00 C ATOM 95 C SER A 10 15.439 -22.713 -26.952 1.00 0.00 C ATOM 96 O SER A 10 15.671 -22.307 -25.813 1.00 0.00 O ATOM 97 CB SER A 10 16.905 -24.377 -28.109 1.00 0.00 C ATOM 98 OG SER A 10 18.026 -24.564 -28.956 1.00 0.00 O ATOM 0 H SER A 10 17.963 -22.191 -26.564 1.00 0.00 H new ATOM 0 HA SER A 10 16.233 -22.506 -28.926 1.00 0.00 H new ATOM 0 HB2 SER A 10 17.111 -24.804 -27.128 1.00 0.00 H new ATOM 0 HB3 SER A 10 16.046 -24.911 -28.515 1.00 0.00 H new ATOM 0 HG SER A 10 18.223 -25.521 -29.032 1.00 0.00 H new ATOM 104 N SER A 11 14.217 -23.018 -27.377 1.00 0.00 N ATOM 105 CA SER A 11 13.052 -22.888 -26.510 1.00 0.00 C ATOM 106 C SER A 11 11.998 -23.935 -26.856 1.00 0.00 C ATOM 107 O SER A 11 11.720 -24.190 -28.028 1.00 0.00 O ATOM 108 CB SER A 11 12.453 -21.485 -26.634 1.00 0.00 C ATOM 109 OG SER A 11 13.151 -20.559 -25.820 1.00 0.00 O ATOM 0 H SER A 11 14.008 -23.357 -28.316 1.00 0.00 H new ATOM 0 HA SER A 11 13.375 -23.049 -25.481 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.491 -21.161 -27.674 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.402 -21.508 -26.345 1.00 0.00 H new ATOM 0 HG SER A 11 14.033 -20.922 -25.594 1.00 0.00 H new ATOM 115 N VAL A 12 11.414 -24.541 -25.826 1.00 0.00 N ATOM 116 CA VAL A 12 10.390 -25.560 -26.019 1.00 0.00 C ATOM 117 C VAL A 12 8.999 -24.939 -26.071 1.00 0.00 C ATOM 118 O VAL A 12 8.841 -23.729 -25.905 1.00 0.00 O ATOM 119 CB VAL A 12 10.429 -26.614 -24.897 1.00 0.00 C ATOM 120 CG1 VAL A 12 11.773 -27.326 -24.878 1.00 0.00 C ATOM 121 CG2 VAL A 12 10.139 -25.968 -23.550 1.00 0.00 C ATOM 0 H VAL A 12 11.633 -24.343 -24.850 1.00 0.00 H new ATOM 0 HA VAL A 12 10.603 -26.046 -26.971 1.00 0.00 H new ATOM 0 HB VAL A 12 9.655 -27.357 -25.093 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.781 -28.067 -24.078 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.935 -27.823 -25.835 1.00 0.00 H new ATOM 0 HG13 VAL A 12 12.567 -26.599 -24.707 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.170 -26.727 -22.768 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.888 -25.204 -23.344 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.150 -25.510 -23.571 1.00 0.00 H new ATOM 131 N LEU A 13 7.992 -25.775 -26.301 1.00 0.00 N ATOM 132 CA LEU A 13 6.612 -25.308 -26.374 1.00 0.00 C ATOM 133 C LEU A 13 5.953 -25.342 -24.999 1.00 0.00 C ATOM 134 O LEU A 13 5.728 -26.412 -24.435 1.00 0.00 O ATOM 135 CB LEU A 13 5.814 -26.167 -27.357 1.00 0.00 C ATOM 136 CG LEU A 13 5.905 -25.763 -28.829 1.00 0.00 C ATOM 137 CD1 LEU A 13 7.264 -26.135 -29.401 1.00 0.00 C ATOM 138 CD2 LEU A 13 4.789 -26.418 -29.631 1.00 0.00 C ATOM 0 H LEU A 13 8.105 -26.779 -26.440 1.00 0.00 H new ATOM 0 HA LEU A 13 6.621 -24.277 -26.727 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.151 -27.199 -27.263 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.766 -26.145 -27.059 1.00 0.00 H new ATOM 0 HG LEU A 13 5.789 -24.681 -28.898 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.311 -25.840 -30.449 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.047 -25.620 -28.844 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.410 -27.212 -29.320 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.869 -26.120 -30.676 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.875 -27.502 -29.555 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.823 -26.102 -29.236 1.00 0.00 H new ATOM 150 N GLU A 14 5.643 -24.163 -24.468 1.00 0.00 N ATOM 151 CA GLU A 14 5.007 -24.059 -23.160 1.00 0.00 C ATOM 152 C GLU A 14 3.917 -22.992 -23.168 1.00 0.00 C ATOM 153 O GLU A 14 3.880 -22.134 -24.050 1.00 0.00 O ATOM 154 CB GLU A 14 6.048 -23.731 -22.087 1.00 0.00 C ATOM 155 CG GLU A 14 6.783 -24.952 -21.559 1.00 0.00 C ATOM 156 CD GLU A 14 5.840 -26.032 -21.067 1.00 0.00 C ATOM 157 OE1 GLU A 14 4.958 -25.718 -20.241 1.00 0.00 O ATOM 158 OE2 GLU A 14 5.985 -27.192 -21.507 1.00 0.00 O ATOM 0 H GLU A 14 5.822 -23.268 -24.923 1.00 0.00 H new ATOM 0 HA GLU A 14 4.548 -25.021 -22.930 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.774 -23.030 -22.499 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.555 -23.227 -21.256 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.416 -25.359 -22.347 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.442 -24.651 -20.744 1.00 0.00 H new ATOM 165 N MET A 15 3.029 -23.053 -22.181 1.00 0.00 N ATOM 166 CA MET A 15 1.938 -22.092 -22.074 1.00 0.00 C ATOM 167 C MET A 15 2.290 -20.976 -21.096 1.00 0.00 C ATOM 168 O MET A 15 1.918 -21.026 -19.923 1.00 0.00 O ATOM 169 CB MET A 15 0.655 -22.793 -21.625 1.00 0.00 C ATOM 170 CG MET A 15 0.851 -23.715 -20.432 1.00 0.00 C ATOM 171 SD MET A 15 -0.683 -24.035 -19.541 1.00 0.00 S ATOM 172 CE MET A 15 -1.499 -25.164 -20.666 1.00 0.00 C ATOM 0 H MET A 15 3.044 -23.758 -21.444 1.00 0.00 H new ATOM 0 HA MET A 15 1.778 -21.651 -23.058 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.091 -22.040 -21.373 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.256 -23.371 -22.459 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.272 -24.661 -20.774 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.577 -23.271 -19.750 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.465 -25.454 -20.253 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.648 -24.674 -21.628 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.881 -26.052 -20.802 1.00 0.00 H new ATOM 182 N ILE A 16 3.008 -19.971 -21.585 1.00 0.00 N ATOM 183 CA ILE A 16 3.409 -18.843 -20.754 1.00 0.00 C ATOM 184 C ILE A 16 2.508 -17.636 -20.992 1.00 0.00 C ATOM 185 O ILE A 16 2.640 -16.937 -21.998 1.00 0.00 O ATOM 186 CB ILE A 16 4.871 -18.438 -21.021 1.00 0.00 C ATOM 187 CG1 ILE A 16 5.808 -19.614 -20.739 1.00 0.00 C ATOM 188 CG2 ILE A 16 5.252 -17.235 -20.171 1.00 0.00 C ATOM 189 CD1 ILE A 16 7.118 -19.537 -21.492 1.00 0.00 C ATOM 0 H ILE A 16 3.324 -19.915 -22.553 1.00 0.00 H new ATOM 0 HA ILE A 16 3.313 -19.166 -19.717 1.00 0.00 H new ATOM 0 HB ILE A 16 4.970 -18.162 -22.071 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.015 -19.655 -19.670 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.301 -20.543 -21.001 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.288 -16.961 -20.371 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.601 -16.396 -20.416 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.140 -17.485 -19.116 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.732 -20.403 -21.244 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.921 -19.527 -22.564 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.646 -18.626 -21.212 1.00 0.00 H new ATOM 201 N LYS A 17 1.592 -17.396 -20.061 1.00 0.00 N ATOM 202 CA LYS A 17 0.669 -16.271 -20.166 1.00 0.00 C ATOM 203 C LYS A 17 1.421 -14.945 -20.120 1.00 0.00 C ATOM 204 O LYS A 17 2.156 -14.671 -19.172 1.00 0.00 O ATOM 205 CB LYS A 17 -0.363 -16.325 -19.038 1.00 0.00 C ATOM 206 CG LYS A 17 -1.592 -15.470 -19.297 1.00 0.00 C ATOM 207 CD LYS A 17 -2.485 -16.087 -20.360 1.00 0.00 C ATOM 208 CE LYS A 17 -3.673 -15.191 -20.677 1.00 0.00 C ATOM 209 NZ LYS A 17 -4.649 -15.145 -19.553 1.00 0.00 N ATOM 0 H LYS A 17 1.468 -17.966 -19.224 1.00 0.00 H new ATOM 0 HA LYS A 17 0.154 -16.343 -21.124 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.674 -17.359 -18.891 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.107 -15.999 -18.110 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.155 -15.351 -18.371 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.283 -14.474 -19.613 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.906 -16.261 -21.267 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.841 -17.059 -20.018 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.320 -14.183 -20.893 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.171 -15.553 -21.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.475 -14.579 -19.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.954 -16.111 -19.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.200 -14.712 -18.721 1.00 0.00 H new ATOM 269 N THR A 21 1.120 -11.296 -16.223 1.00 0.00 N ATOM 270 CA THR A 21 2.387 -10.713 -15.800 1.00 0.00 C ATOM 271 C THR A 21 2.337 -9.190 -15.854 1.00 0.00 C ATOM 272 O THR A 21 1.637 -8.611 -16.686 1.00 0.00 O ATOM 273 CB THR A 21 3.554 -11.208 -16.676 1.00 0.00 C ATOM 274 OG1 THR A 21 3.516 -12.636 -16.781 1.00 0.00 O ATOM 275 CG2 THR A 21 4.890 -10.773 -16.093 1.00 0.00 C ATOM 0 HA THR A 21 2.554 -11.032 -14.771 1.00 0.00 H new ATOM 0 HB THR A 21 3.447 -10.768 -17.668 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.600 -12.951 -16.631 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.699 -11.134 -16.728 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.927 -9.685 -16.041 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.002 -11.188 -15.091 1.00 0.00 H new ATOM 283 N CYS A 22 3.083 -8.546 -14.963 1.00 0.00 N ATOM 284 CA CYS A 22 3.125 -7.090 -14.909 1.00 0.00 C ATOM 285 C CYS A 22 3.436 -6.503 -16.283 1.00 0.00 C ATOM 286 O CYS A 22 4.472 -6.785 -16.886 1.00 0.00 O ATOM 287 CB CYS A 22 4.172 -6.626 -13.895 1.00 0.00 C ATOM 288 SG CYS A 22 4.154 -4.833 -13.576 1.00 0.00 S ATOM 0 H CYS A 22 3.667 -9.010 -14.268 1.00 0.00 H new ATOM 0 HA CYS A 22 2.143 -6.735 -14.596 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.010 -7.153 -12.955 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.161 -6.911 -14.254 1.00 0.00 H new ATOM 0 HG CYS A 22 3.344 -4.575 -12.593 1.00 0.00 H new ATOM 293 N PRO A 23 2.518 -5.668 -16.791 1.00 0.00 N ATOM 294 CA PRO A 23 2.671 -5.023 -18.099 1.00 0.00 C ATOM 295 C PRO A 23 3.774 -3.969 -18.100 1.00 0.00 C ATOM 296 O PRO A 23 3.980 -3.275 -19.095 1.00 0.00 O ATOM 297 CB PRO A 23 1.307 -4.370 -18.335 1.00 0.00 C ATOM 298 CG PRO A 23 0.751 -4.150 -16.971 1.00 0.00 C ATOM 299 CD PRO A 23 1.259 -5.288 -16.128 1.00 0.00 C ATOM 0 HA PRO A 23 2.957 -5.735 -18.873 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.407 -3.430 -18.878 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.657 -5.014 -18.928 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.075 -3.191 -16.568 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.339 -4.136 -16.991 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.425 -4.980 -15.096 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.552 -6.117 -16.103 1.00 0.00 H new ATOM 307 N ILE A 24 4.478 -3.856 -16.979 1.00 0.00 N ATOM 308 CA ILE A 24 5.560 -2.888 -16.852 1.00 0.00 C ATOM 309 C ILE A 24 6.914 -3.584 -16.765 1.00 0.00 C ATOM 310 O ILE A 24 7.757 -3.440 -17.651 1.00 0.00 O ATOM 311 CB ILE A 24 5.374 -1.995 -15.611 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.071 -1.201 -15.717 1.00 0.00 C ATOM 313 CG2 ILE A 24 6.561 -1.058 -15.450 1.00 0.00 C ATOM 314 CD1 ILE A 24 3.453 -0.871 -14.377 1.00 0.00 C ATOM 0 H ILE A 24 4.319 -4.423 -16.146 1.00 0.00 H new ATOM 0 HA ILE A 24 5.532 -2.265 -17.746 1.00 0.00 H new ATOM 0 HB ILE A 24 5.317 -2.632 -14.728 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.263 -0.274 -16.257 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.354 -1.772 -16.308 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.415 -0.433 -14.569 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.473 -1.643 -15.333 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.647 -0.425 -16.333 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.533 -0.307 -14.530 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.229 -1.794 -13.842 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.151 -0.273 -13.792 1.00 0.00 H new ATOM 326 N CYS A 25 7.116 -4.342 -15.693 1.00 0.00 N ATOM 327 CA CYS A 25 8.366 -5.064 -15.490 1.00 0.00 C ATOM 328 C CYS A 25 8.324 -6.428 -16.171 1.00 0.00 C ATOM 329 O CYS A 25 9.358 -6.974 -16.559 1.00 0.00 O ATOM 330 CB CYS A 25 8.643 -5.236 -13.995 1.00 0.00 C ATOM 331 SG CYS A 25 7.393 -6.229 -13.117 1.00 0.00 S ATOM 0 H CYS A 25 6.429 -4.472 -14.950 1.00 0.00 H new ATOM 0 HA CYS A 25 9.170 -4.480 -15.937 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.619 -5.705 -13.869 1.00 0.00 H new ATOM 0 HB3 CYS A 25 8.701 -4.251 -13.531 1.00 0.00 H new ATOM 0 HG CYS A 25 6.253 -5.605 -13.134 1.00 0.00 H new ATOM 336 N LEU A 26 7.122 -6.975 -16.315 1.00 0.00 N ATOM 337 CA LEU A 26 6.943 -8.276 -16.950 1.00 0.00 C ATOM 338 C LEU A 26 7.503 -9.391 -16.073 1.00 0.00 C ATOM 339 O LEU A 26 8.150 -10.314 -16.566 1.00 0.00 O ATOM 340 CB LEU A 26 7.627 -8.295 -18.319 1.00 0.00 C ATOM 341 CG LEU A 26 7.327 -7.109 -19.236 1.00 0.00 C ATOM 342 CD1 LEU A 26 8.354 -7.025 -20.354 1.00 0.00 C ATOM 343 CD2 LEU A 26 5.921 -7.220 -19.808 1.00 0.00 C ATOM 0 H LEU A 26 6.256 -6.537 -16.000 1.00 0.00 H new ATOM 0 HA LEU A 26 5.874 -8.445 -17.082 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.705 -8.345 -18.164 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.337 -9.210 -18.835 1.00 0.00 H new ATOM 0 HG LEU A 26 7.387 -6.194 -18.646 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.124 -6.175 -20.996 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.348 -6.898 -19.926 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.327 -7.942 -20.942 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.724 -6.368 -20.458 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.834 -8.142 -20.382 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.197 -7.230 -18.994 1.00 0.00 H new ATOM 355 N GLU A 27 7.247 -9.299 -14.772 1.00 0.00 N ATOM 356 CA GLU A 27 7.725 -10.302 -13.828 1.00 0.00 C ATOM 357 C GLU A 27 6.653 -10.629 -12.792 1.00 0.00 C ATOM 358 O GLU A 27 5.627 -9.951 -12.709 1.00 0.00 O ATOM 359 CB GLU A 27 8.993 -9.811 -13.127 1.00 0.00 C ATOM 360 CG GLU A 27 10.246 -9.933 -13.978 1.00 0.00 C ATOM 361 CD GLU A 27 10.834 -11.330 -13.954 1.00 0.00 C ATOM 362 OE1 GLU A 27 11.280 -11.768 -12.873 1.00 0.00 O ATOM 363 OE2 GLU A 27 10.849 -11.985 -15.017 1.00 0.00 O ATOM 0 H GLU A 27 6.712 -8.541 -14.348 1.00 0.00 H new ATOM 0 HA GLU A 27 7.955 -11.209 -14.387 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.859 -8.768 -12.841 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.132 -10.379 -12.207 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.010 -9.660 -15.007 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.992 -9.223 -13.623 1.00 0.00 H new ATOM 370 N LEU A 28 6.896 -11.671 -12.006 1.00 0.00 N ATOM 371 CA LEU A 28 5.952 -12.090 -10.976 1.00 0.00 C ATOM 372 C LEU A 28 5.508 -10.902 -10.129 1.00 0.00 C ATOM 373 O LEU A 28 6.320 -10.275 -9.446 1.00 0.00 O ATOM 374 CB LEU A 28 6.582 -13.160 -10.083 1.00 0.00 C ATOM 375 CG LEU A 28 6.438 -14.605 -10.563 1.00 0.00 C ATOM 376 CD1 LEU A 28 7.188 -15.552 -9.639 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.969 -14.994 -10.649 1.00 0.00 C ATOM 0 H LEU A 28 7.739 -12.242 -12.062 1.00 0.00 H new ATOM 0 HA LEU A 28 5.075 -12.509 -11.470 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.644 -12.937 -9.977 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.140 -13.082 -9.090 1.00 0.00 H new ATOM 0 HG LEU A 28 6.873 -14.682 -11.559 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.074 -16.575 -9.996 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.245 -15.287 -9.627 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.783 -15.473 -8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.885 -16.025 -10.992 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.510 -14.901 -9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.459 -14.335 -11.352 1.00 0.00 H new ATOM 389 N LEU A 29 4.216 -10.598 -10.176 1.00 0.00 N ATOM 390 CA LEU A 29 3.663 -9.486 -9.411 1.00 0.00 C ATOM 391 C LEU A 29 3.830 -9.719 -7.912 1.00 0.00 C ATOM 392 O LEU A 29 3.366 -10.725 -7.374 1.00 0.00 O ATOM 393 CB LEU A 29 2.183 -9.296 -9.747 1.00 0.00 C ATOM 394 CG LEU A 29 1.852 -9.079 -11.224 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.479 -9.645 -11.552 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.919 -7.600 -11.573 1.00 0.00 C ATOM 0 H LEU A 29 3.531 -11.106 -10.736 1.00 0.00 H new ATOM 0 HA LEU A 29 4.210 -8.583 -9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.637 -10.172 -9.398 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.810 -8.442 -9.182 1.00 0.00 H new ATOM 0 HG LEU A 29 2.593 -9.607 -11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.261 -9.481 -12.607 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.466 -10.714 -11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.275 -9.146 -10.944 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.681 -7.464 -12.628 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.201 -7.050 -10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.923 -7.225 -11.377 1.00 0.00 H new ATOM 408 N LYS A 30 4.494 -8.783 -7.244 1.00 0.00 N ATOM 409 CA LYS A 30 4.720 -8.883 -5.807 1.00 0.00 C ATOM 410 C LYS A 30 3.770 -7.968 -5.041 1.00 0.00 C ATOM 411 O LYS A 30 3.854 -6.745 -5.145 1.00 0.00 O ATOM 412 CB LYS A 30 6.170 -8.525 -5.472 1.00 0.00 C ATOM 413 CG LYS A 30 7.145 -9.669 -5.691 1.00 0.00 C ATOM 414 CD LYS A 30 8.566 -9.267 -5.332 1.00 0.00 C ATOM 415 CE LYS A 30 9.298 -8.679 -6.528 1.00 0.00 C ATOM 416 NZ LYS A 30 9.990 -9.729 -7.326 1.00 0.00 N ATOM 0 H LYS A 30 4.886 -7.946 -7.675 1.00 0.00 H new ATOM 0 HA LYS A 30 4.527 -9.912 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.476 -7.676 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.225 -8.206 -4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.844 -10.525 -5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.108 -9.986 -6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.545 -8.538 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.109 -10.137 -4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.588 -8.149 -7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.027 -7.946 -6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.477 -9.288 -8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.685 -10.218 -6.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.292 -10.415 -7.677 1.00 0.00 H new ATOM 430 N GLU A 31 2.867 -8.570 -4.272 1.00 0.00 N ATOM 431 CA GLU A 31 1.902 -7.807 -3.489 1.00 0.00 C ATOM 432 C GLU A 31 1.355 -6.632 -4.295 1.00 0.00 C ATOM 433 O GLU A 31 1.383 -5.481 -3.858 1.00 0.00 O ATOM 434 CB GLU A 31 2.547 -7.299 -2.198 1.00 0.00 C ATOM 435 CG GLU A 31 2.420 -8.265 -1.033 1.00 0.00 C ATOM 436 CD GLU A 31 1.113 -8.105 -0.282 1.00 0.00 C ATOM 437 OE1 GLU A 31 0.526 -7.004 -0.341 1.00 0.00 O ATOM 438 OE2 GLU A 31 0.676 -9.080 0.364 1.00 0.00 O ATOM 0 H GLU A 31 2.784 -9.582 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 31 1.073 -8.468 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.603 -7.102 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.089 -6.349 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.499 -9.287 -1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.251 -8.110 -0.345 1.00 0.00 H new ATOM 445 N PRO A 32 0.846 -6.927 -5.500 1.00 0.00 N ATOM 446 CA PRO A 32 0.283 -5.910 -6.392 1.00 0.00 C ATOM 447 C PRO A 32 -1.032 -5.342 -5.867 1.00 0.00 C ATOM 448 O PRO A 32 -1.616 -5.873 -4.923 1.00 0.00 O ATOM 449 CB PRO A 32 0.051 -6.673 -7.699 1.00 0.00 C ATOM 450 CG PRO A 32 -0.107 -8.095 -7.284 1.00 0.00 C ATOM 451 CD PRO A 32 0.780 -8.277 -6.084 1.00 0.00 C ATOM 0 HA PRO A 32 0.943 -5.049 -6.496 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.837 -6.311 -8.217 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.891 -6.551 -8.383 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.146 -8.317 -7.039 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.182 -8.771 -8.089 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.363 -8.999 -5.382 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.768 -8.641 -6.366 1.00 0.00 H new ATOM 459 N VAL A 33 -1.492 -4.259 -6.486 1.00 0.00 N ATOM 460 CA VAL A 33 -2.739 -3.620 -6.082 1.00 0.00 C ATOM 461 C VAL A 33 -3.604 -3.288 -7.292 1.00 0.00 C ATOM 462 O VAL A 33 -3.163 -2.598 -8.212 1.00 0.00 O ATOM 463 CB VAL A 33 -2.475 -2.329 -5.284 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.806 -2.650 -3.955 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.626 -1.364 -6.097 1.00 0.00 C ATOM 0 H VAL A 33 -1.020 -3.806 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.267 -4.331 -5.446 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.431 -1.849 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.627 -1.726 -3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.455 -3.301 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.856 -3.153 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.450 -0.458 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.672 -1.833 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.147 -1.109 -7.020 1.00 0.00 H new ATOM 475 N SER A 34 -4.837 -3.782 -7.285 1.00 0.00 N ATOM 476 CA SER A 34 -5.764 -3.541 -8.385 1.00 0.00 C ATOM 477 C SER A 34 -6.270 -2.102 -8.362 1.00 0.00 C ATOM 478 O SER A 34 -6.184 -1.417 -7.344 1.00 0.00 O ATOM 479 CB SER A 34 -6.946 -4.510 -8.306 1.00 0.00 C ATOM 480 OG SER A 34 -8.064 -4.010 -9.018 1.00 0.00 O ATOM 0 H SER A 34 -5.218 -4.352 -6.530 1.00 0.00 H new ATOM 0 HA SER A 34 -5.230 -3.706 -9.321 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.655 -5.478 -8.714 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.218 -4.672 -7.263 1.00 0.00 H new ATOM 0 HG SER A 34 -8.805 -4.648 -8.953 1.00 0.00 H new ATOM 486 N ALA A 35 -6.799 -1.650 -9.495 1.00 0.00 N ATOM 487 CA ALA A 35 -7.321 -0.293 -9.606 1.00 0.00 C ATOM 488 C ALA A 35 -8.743 -0.296 -10.158 1.00 0.00 C ATOM 489 O ALA A 35 -9.322 -1.354 -10.403 1.00 0.00 O ATOM 490 CB ALA A 35 -6.412 0.551 -10.487 1.00 0.00 C ATOM 0 H ALA A 35 -6.877 -2.203 -10.348 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.348 0.143 -8.607 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.813 1.562 -10.561 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.414 0.588 -10.050 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.356 0.109 -11.482 1.00 0.00 H new ATOM 496 N ASP A 36 -9.300 0.895 -10.351 1.00 0.00 N ATOM 497 CA ASP A 36 -10.654 1.030 -10.874 1.00 0.00 C ATOM 498 C ASP A 36 -10.813 0.252 -12.177 1.00 0.00 C ATOM 499 O ASP A 36 -11.884 -0.282 -12.467 1.00 0.00 O ATOM 500 CB ASP A 36 -10.991 2.504 -11.102 1.00 0.00 C ATOM 501 CG ASP A 36 -12.480 2.778 -11.016 1.00 0.00 C ATOM 502 OD1 ASP A 36 -12.981 2.976 -9.890 1.00 0.00 O ATOM 503 OD2 ASP A 36 -13.143 2.793 -12.074 1.00 0.00 O ATOM 0 H ASP A 36 -8.834 1.781 -10.153 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.344 0.617 -10.138 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.470 3.111 -10.362 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.624 2.810 -12.082 1.00 0.00 H new ATOM 508 N CYS A 37 -9.741 0.192 -12.959 1.00 0.00 N ATOM 509 CA CYS A 37 -9.760 -0.519 -14.232 1.00 0.00 C ATOM 510 C CYS A 37 -9.383 -1.985 -14.042 1.00 0.00 C ATOM 511 O CYS A 37 -8.710 -2.577 -14.884 1.00 0.00 O ATOM 512 CB CYS A 37 -8.801 0.142 -15.224 1.00 0.00 C ATOM 513 SG CYS A 37 -7.138 0.460 -14.551 1.00 0.00 S ATOM 0 H CYS A 37 -8.847 0.628 -12.733 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.773 -0.472 -14.631 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.710 -0.495 -16.104 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.233 1.086 -15.557 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.362 0.895 -15.499 1.00 0.00 H new ATOM 518 N ASN A 38 -9.822 -2.564 -12.929 1.00 0.00 N ATOM 519 CA ASN A 38 -9.529 -3.960 -12.628 1.00 0.00 C ATOM 520 C ASN A 38 -8.117 -4.329 -13.072 1.00 0.00 C ATOM 521 O ASN A 38 -7.873 -5.440 -13.543 1.00 0.00 O ATOM 522 CB ASN A 38 -10.547 -4.875 -13.313 1.00 0.00 C ATOM 523 CG ASN A 38 -10.667 -6.222 -12.627 1.00 0.00 C ATOM 524 OD1 ASN A 38 -10.535 -6.325 -11.407 1.00 0.00 O ATOM 525 ND2 ASN A 38 -10.918 -7.265 -13.411 1.00 0.00 N ATOM 0 H ASN A 38 -10.382 -2.088 -12.221 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.597 -4.095 -11.548 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.522 -4.387 -13.322 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.255 -5.024 -14.353 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.009 -8.197 -13.006 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.020 -7.134 -14.417 1.00 0.00 H new ATOM 532 N HIS A 39 -7.190 -3.389 -12.918 1.00 0.00 N ATOM 533 CA HIS A 39 -5.801 -3.615 -13.301 1.00 0.00 C ATOM 534 C HIS A 39 -4.880 -3.522 -12.089 1.00 0.00 C ATOM 535 O HIS A 39 -4.833 -2.496 -11.411 1.00 0.00 O ATOM 536 CB HIS A 39 -5.372 -2.601 -14.362 1.00 0.00 C ATOM 537 CG HIS A 39 -6.001 -2.832 -15.701 1.00 0.00 C ATOM 538 ND1 HIS A 39 -6.079 -1.858 -16.674 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.583 -3.935 -16.228 1.00 0.00 C ATOM 540 CE1 HIS A 39 -6.683 -2.351 -17.741 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.998 -3.610 -17.496 1.00 0.00 N ATOM 0 H HIS A 39 -7.376 -2.464 -12.531 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.723 -4.620 -13.716 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.627 -1.598 -14.018 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.288 -2.636 -14.468 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -5.726 -0.905 -16.584 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.699 -4.892 -15.742 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.885 -1.816 -18.657 1.00 0.00 H new ATOM 549 N SER A 40 -4.151 -4.600 -11.821 1.00 0.00 N ATOM 550 CA SER A 40 -3.235 -4.642 -10.687 1.00 0.00 C ATOM 551 C SER A 40 -1.784 -4.630 -11.160 1.00 0.00 C ATOM 552 O SER A 40 -1.459 -5.172 -12.217 1.00 0.00 O ATOM 553 CB SER A 40 -3.496 -5.887 -9.838 1.00 0.00 C ATOM 554 OG SER A 40 -3.233 -5.635 -8.469 1.00 0.00 O ATOM 0 H SER A 40 -4.177 -5.457 -12.374 1.00 0.00 H new ATOM 0 HA SER A 40 -3.409 -3.754 -10.079 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.532 -6.204 -9.960 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.869 -6.707 -10.187 1.00 0.00 H new ATOM 0 HG SER A 40 -3.409 -6.446 -7.947 1.00 0.00 H new ATOM 560 N PHE A 41 -0.916 -4.009 -10.370 1.00 0.00 N ATOM 561 CA PHE A 41 0.501 -3.925 -10.707 1.00 0.00 C ATOM 562 C PHE A 41 1.365 -4.024 -9.453 1.00 0.00 C ATOM 563 O PHE A 41 0.885 -3.823 -8.337 1.00 0.00 O ATOM 564 CB PHE A 41 0.796 -2.615 -11.440 1.00 0.00 C ATOM 565 CG PHE A 41 -0.265 -2.232 -12.433 1.00 0.00 C ATOM 566 CD1 PHE A 41 -1.350 -1.463 -12.045 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.177 -2.641 -13.754 1.00 0.00 C ATOM 568 CE1 PHE A 41 -2.328 -1.109 -12.955 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.151 -2.290 -14.669 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.228 -1.523 -14.269 1.00 0.00 C ATOM 0 H PHE A 41 -1.168 -3.556 -9.492 1.00 0.00 H new ATOM 0 HA PHE A 41 0.743 -4.762 -11.361 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.903 -1.814 -10.708 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.751 -2.704 -11.957 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.433 -1.136 -11.019 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.663 -3.241 -14.072 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.169 -0.510 -12.639 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.070 -2.615 -15.696 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.991 -1.247 -14.982 1.00 0.00 H new ATOM 580 N CYS A 42 2.642 -4.336 -9.645 1.00 0.00 N ATOM 581 CA CYS A 42 3.575 -4.464 -8.532 1.00 0.00 C ATOM 582 C CYS A 42 3.511 -3.238 -7.625 1.00 0.00 C ATOM 583 O CYS A 42 3.710 -2.109 -8.075 1.00 0.00 O ATOM 584 CB CYS A 42 5.001 -4.653 -9.053 1.00 0.00 C ATOM 585 SG CYS A 42 5.158 -5.930 -10.341 1.00 0.00 S ATOM 0 H CYS A 42 3.055 -4.505 -10.562 1.00 0.00 H new ATOM 0 HA CYS A 42 3.289 -5.340 -7.950 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.360 -3.704 -9.452 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.650 -4.913 -8.217 1.00 0.00 H new ATOM 0 HG CYS A 42 4.769 -5.445 -11.483 1.00 0.00 H new ATOM 590 N ARG A 43 3.231 -3.468 -6.347 1.00 0.00 N ATOM 591 CA ARG A 43 3.140 -2.383 -5.377 1.00 0.00 C ATOM 592 C ARG A 43 4.119 -1.264 -5.720 1.00 0.00 C ATOM 593 O ARG A 43 3.764 -0.086 -5.699 1.00 0.00 O ATOM 594 CB ARG A 43 3.419 -2.906 -3.967 1.00 0.00 C ATOM 595 CG ARG A 43 3.442 -1.816 -2.907 1.00 0.00 C ATOM 596 CD ARG A 43 2.048 -1.274 -2.636 1.00 0.00 C ATOM 597 NE ARG A 43 1.979 -0.551 -1.369 1.00 0.00 N ATOM 598 CZ ARG A 43 0.890 -0.501 -0.610 1.00 0.00 C ATOM 599 NH1 ARG A 43 -0.215 -1.129 -0.987 1.00 0.00 N ATOM 600 NH2 ARG A 43 0.905 0.178 0.530 1.00 0.00 N ATOM 0 H ARG A 43 3.063 -4.396 -5.959 1.00 0.00 H new ATOM 0 HA ARG A 43 2.128 -1.980 -5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.658 -3.641 -3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.378 -3.425 -3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.865 -2.213 -1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.092 -1.004 -3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.753 -0.610 -3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.335 -2.098 -2.622 1.00 0.00 H new ATOM 0 HE ARG A 43 2.813 -0.057 -1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.231 -1.653 -1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.049 -1.089 -0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.753 0.662 0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.068 0.216 1.112 1.00 0.00 H new ATOM 614 N ALA A 44 5.354 -1.641 -6.034 1.00 0.00 N ATOM 615 CA ALA A 44 6.384 -0.670 -6.382 1.00 0.00 C ATOM 616 C ALA A 44 6.110 -0.044 -7.745 1.00 0.00 C ATOM 617 O ALA A 44 5.931 1.169 -7.858 1.00 0.00 O ATOM 618 CB ALA A 44 7.756 -1.328 -6.368 1.00 0.00 C ATOM 0 H ALA A 44 5.666 -2.612 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 44 6.366 0.124 -5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.516 -0.591 -6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.960 -1.722 -5.372 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.776 -2.143 -7.092 1.00 0.00 H new ATOM 624 N CYS A 45 6.080 -0.879 -8.779 1.00 0.00 N ATOM 625 CA CYS A 45 5.829 -0.408 -10.136 1.00 0.00 C ATOM 626 C CYS A 45 4.753 0.675 -10.146 1.00 0.00 C ATOM 627 O CYS A 45 5.028 1.834 -10.457 1.00 0.00 O ATOM 628 CB CYS A 45 5.404 -1.572 -11.032 1.00 0.00 C ATOM 629 SG CYS A 45 6.772 -2.671 -11.523 1.00 0.00 S ATOM 0 H CYS A 45 6.226 -1.886 -8.703 1.00 0.00 H new ATOM 0 HA CYS A 45 6.754 0.020 -10.522 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.649 -2.160 -10.511 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.933 -1.172 -11.930 1.00 0.00 H new ATOM 0 HG CYS A 45 6.464 -3.901 -11.238 1.00 0.00 H new ATOM 634 N ILE A 46 3.529 0.288 -9.803 1.00 0.00 N ATOM 635 CA ILE A 46 2.413 1.224 -9.771 1.00 0.00 C ATOM 636 C ILE A 46 2.839 2.567 -9.186 1.00 0.00 C ATOM 637 O ILE A 46 2.393 3.623 -9.637 1.00 0.00 O ATOM 638 CB ILE A 46 1.236 0.670 -8.947 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.070 1.660 -8.953 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.679 0.372 -7.523 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.838 1.519 -10.155 1.00 0.00 C ATOM 0 H ILE A 46 3.285 -0.668 -9.543 1.00 0.00 H new ATOM 0 HA ILE A 46 2.090 1.364 -10.803 1.00 0.00 H new ATOM 0 HB ILE A 46 0.899 -0.261 -9.403 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.518 1.521 -8.046 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.466 2.675 -8.924 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.836 -0.019 -6.954 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.480 -0.367 -7.538 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.039 1.288 -7.055 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.642 2.253 -10.092 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.264 1.687 -11.066 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.263 0.516 -10.174 1.00 0.00 H new ATOM 653 N THR A 47 3.708 2.520 -8.181 1.00 0.00 N ATOM 654 CA THR A 47 4.195 3.732 -7.535 1.00 0.00 C ATOM 655 C THR A 47 5.201 4.460 -8.419 1.00 0.00 C ATOM 656 O THR A 47 4.985 5.608 -8.809 1.00 0.00 O ATOM 657 CB THR A 47 4.853 3.419 -6.178 1.00 0.00 C ATOM 658 OG1 THR A 47 3.898 2.819 -5.297 1.00 0.00 O ATOM 659 CG2 THR A 47 5.411 4.684 -5.543 1.00 0.00 C ATOM 0 H THR A 47 4.089 1.655 -7.797 1.00 0.00 H new ATOM 0 HA THR A 47 3.329 4.373 -7.371 1.00 0.00 H new ATOM 0 HB THR A 47 5.675 2.724 -6.350 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.872 1.852 -5.453 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.871 4.438 -4.586 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.159 5.123 -6.203 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.603 5.398 -5.385 1.00 0.00 H new ATOM 667 N LEU A 48 6.302 3.785 -8.734 1.00 0.00 N ATOM 668 CA LEU A 48 7.342 4.368 -9.574 1.00 0.00 C ATOM 669 C LEU A 48 6.750 4.936 -10.859 1.00 0.00 C ATOM 670 O LEU A 48 6.933 6.112 -11.172 1.00 0.00 O ATOM 671 CB LEU A 48 8.403 3.317 -9.908 1.00 0.00 C ATOM 672 CG LEU A 48 9.247 2.818 -8.735 1.00 0.00 C ATOM 673 CD1 LEU A 48 9.862 1.465 -9.058 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.330 3.829 -8.388 1.00 0.00 C ATOM 0 H LEU A 48 6.497 2.834 -8.420 1.00 0.00 H new ATOM 0 HA LEU A 48 7.808 5.183 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.906 2.460 -10.362 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.073 3.733 -10.661 1.00 0.00 H new ATOM 0 HG LEU A 48 8.597 2.701 -7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.459 1.125 -8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.070 0.743 -9.256 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.498 1.555 -9.938 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.921 3.457 -7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.978 3.979 -9.251 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.868 4.777 -8.113 1.00 0.00 H new ATOM 686 N ASN A 49 6.037 4.093 -11.599 1.00 0.00 N ATOM 687 CA ASN A 49 5.415 4.512 -12.850 1.00 0.00 C ATOM 688 C ASN A 49 4.696 5.847 -12.680 1.00 0.00 C ATOM 689 O ASN A 49 4.849 6.755 -13.497 1.00 0.00 O ATOM 690 CB ASN A 49 4.430 3.448 -13.336 1.00 0.00 C ATOM 691 CG ASN A 49 4.143 3.560 -14.821 1.00 0.00 C ATOM 692 OD1 ASN A 49 3.147 4.158 -15.228 1.00 0.00 O ATOM 693 ND2 ASN A 49 5.016 2.983 -15.638 1.00 0.00 N ATOM 0 H ASN A 49 5.876 3.116 -11.354 1.00 0.00 H new ATOM 0 HA ASN A 49 6.202 4.635 -13.594 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.833 2.458 -13.120 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.497 3.540 -12.781 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.875 3.025 -16.647 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.828 2.498 -15.256 1.00 0.00 H new ATOM 700 N TYR A 50 3.912 5.959 -11.613 1.00 0.00 N ATOM 701 CA TYR A 50 3.168 7.181 -11.336 1.00 0.00 C ATOM 702 C TYR A 50 4.101 8.387 -11.284 1.00 0.00 C ATOM 703 O TYR A 50 3.812 9.434 -11.863 1.00 0.00 O ATOM 704 CB TYR A 50 2.408 7.052 -10.015 1.00 0.00 C ATOM 705 CG TYR A 50 2.115 8.380 -9.353 1.00 0.00 C ATOM 706 CD1 TYR A 50 0.985 9.113 -9.692 1.00 0.00 C ATOM 707 CD2 TYR A 50 2.968 8.900 -8.388 1.00 0.00 C ATOM 708 CE1 TYR A 50 0.714 10.327 -9.091 1.00 0.00 C ATOM 709 CE2 TYR A 50 2.704 10.113 -7.780 1.00 0.00 C ATOM 710 CZ TYR A 50 1.576 10.822 -8.135 1.00 0.00 C ATOM 711 OH TYR A 50 1.308 12.030 -7.533 1.00 0.00 O ATOM 0 H TYR A 50 3.776 5.218 -10.926 1.00 0.00 H new ATOM 0 HA TYR A 50 2.453 7.332 -12.145 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.468 6.530 -10.196 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.989 6.434 -9.330 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.306 8.727 -10.438 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.853 8.347 -8.108 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.168 10.885 -9.368 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.377 10.503 -7.031 1.00 0.00 H new ATOM 0 HH TYR A 50 2.012 12.235 -6.883 1.00 0.00 H new ATOM 721 N GLU A 51 5.222 8.231 -10.586 1.00 0.00 N ATOM 722 CA GLU A 51 6.197 9.306 -10.458 1.00 0.00 C ATOM 723 C GLU A 51 6.877 9.586 -11.795 1.00 0.00 C ATOM 724 O GLU A 51 7.031 10.740 -12.196 1.00 0.00 O ATOM 725 CB GLU A 51 7.248 8.949 -9.404 1.00 0.00 C ATOM 726 CG GLU A 51 6.659 8.646 -8.037 1.00 0.00 C ATOM 727 CD GLU A 51 7.704 8.651 -6.938 1.00 0.00 C ATOM 728 OE1 GLU A 51 8.689 9.409 -7.061 1.00 0.00 O ATOM 729 OE2 GLU A 51 7.537 7.898 -5.955 1.00 0.00 O ATOM 0 H GLU A 51 5.477 7.371 -10.101 1.00 0.00 H new ATOM 0 HA GLU A 51 5.668 10.206 -10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.814 8.083 -9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.953 9.775 -9.312 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.890 9.383 -7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.170 7.672 -8.064 1.00 0.00 H new ATOM 861 N ASN A 61 -1.826 8.113 -14.680 1.00 0.00 N ATOM 862 CA ASN A 61 -2.552 7.325 -15.670 1.00 0.00 C ATOM 863 C ASN A 61 -2.120 5.862 -15.623 1.00 0.00 C ATOM 864 O ASN A 61 -1.028 5.540 -15.154 1.00 0.00 O ATOM 865 CB ASN A 61 -2.322 7.892 -17.072 1.00 0.00 C ATOM 866 CG ASN A 61 -0.942 7.565 -17.609 1.00 0.00 C ATOM 867 OD1 ASN A 61 0.061 7.734 -16.917 1.00 0.00 O ATOM 868 ND2 ASN A 61 -0.886 7.095 -18.850 1.00 0.00 N ATOM 0 HA ASN A 61 -3.615 7.380 -15.434 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.077 7.494 -17.750 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.453 8.974 -17.049 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.015 6.858 -19.265 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.744 6.971 -19.388 1.00 0.00 H new ATOM 875 N CYS A 62 -2.984 4.980 -16.115 1.00 0.00 N ATOM 876 CA CYS A 62 -2.694 3.551 -16.130 1.00 0.00 C ATOM 877 C CYS A 62 -1.767 3.197 -17.289 1.00 0.00 C ATOM 878 O CYS A 62 -1.993 3.580 -18.437 1.00 0.00 O ATOM 879 CB CYS A 62 -3.991 2.747 -16.236 1.00 0.00 C ATOM 880 SG CYS A 62 -3.760 0.944 -16.114 1.00 0.00 S ATOM 0 H CYS A 62 -3.891 5.230 -16.509 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.193 3.297 -15.196 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.671 3.070 -15.448 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.472 2.977 -17.187 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.124 0.661 -15.016 1.00 0.00 H new ATOM 885 N PRO A 63 -0.697 2.448 -16.984 1.00 0.00 N ATOM 886 CA PRO A 63 0.286 2.025 -17.986 1.00 0.00 C ATOM 887 C PRO A 63 -0.282 0.994 -18.955 1.00 0.00 C ATOM 888 O PRO A 63 0.451 0.401 -19.747 1.00 0.00 O ATOM 889 CB PRO A 63 1.407 1.409 -17.145 1.00 0.00 C ATOM 890 CG PRO A 63 0.739 0.967 -15.889 1.00 0.00 C ATOM 891 CD PRO A 63 -0.365 1.956 -15.636 1.00 0.00 C ATOM 0 HA PRO A 63 0.612 2.855 -18.613 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.874 0.570 -17.661 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.194 2.135 -16.941 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.342 -0.043 -15.993 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.444 0.948 -15.058 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.224 1.486 -15.157 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.038 2.765 -14.982 1.00 0.00 H new ATOM 899 N VAL A 64 -1.593 0.783 -18.887 1.00 0.00 N ATOM 900 CA VAL A 64 -2.259 -0.176 -19.760 1.00 0.00 C ATOM 901 C VAL A 64 -3.404 0.480 -20.524 1.00 0.00 C ATOM 902 O VAL A 64 -3.423 0.481 -21.756 1.00 0.00 O ATOM 903 CB VAL A 64 -2.809 -1.373 -18.962 1.00 0.00 C ATOM 904 CG1 VAL A 64 -3.553 -2.330 -19.880 1.00 0.00 C ATOM 905 CG2 VAL A 64 -1.682 -2.089 -18.233 1.00 0.00 C ATOM 0 H VAL A 64 -2.214 1.263 -18.236 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.511 -0.533 -20.468 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.513 -0.999 -18.219 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.934 -3.169 -19.299 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.385 -1.808 -20.352 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.874 -2.700 -20.648 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.088 -2.932 -17.674 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.953 -2.451 -18.957 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.197 -1.397 -17.544 1.00 0.00 H new ATOM 915 N CYS A 65 -4.358 1.038 -19.786 1.00 0.00 N ATOM 916 CA CYS A 65 -5.508 1.697 -20.393 1.00 0.00 C ATOM 917 C CYS A 65 -5.368 3.215 -20.315 1.00 0.00 C ATOM 918 O CYS A 65 -6.164 3.953 -20.896 1.00 0.00 O ATOM 919 CB CYS A 65 -6.799 1.256 -19.702 1.00 0.00 C ATOM 920 SG CYS A 65 -6.828 1.574 -17.908 1.00 0.00 S ATOM 0 H CYS A 65 -4.357 1.047 -18.766 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.550 1.407 -21.443 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.641 1.771 -20.165 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.944 0.189 -19.874 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.706 1.184 -17.380 1.00 0.00 H new ATOM 925 N ARG A 66 -4.351 3.673 -19.592 1.00 0.00 N ATOM 926 CA ARG A 66 -4.108 5.102 -19.436 1.00 0.00 C ATOM 927 C ARG A 66 -5.356 5.814 -18.923 1.00 0.00 C ATOM 928 O ARG A 66 -5.753 6.852 -19.451 1.00 0.00 O ATOM 929 CB ARG A 66 -3.670 5.715 -20.768 1.00 0.00 C ATOM 930 CG ARG A 66 -2.254 5.340 -21.175 1.00 0.00 C ATOM 931 CD ARG A 66 -2.216 3.998 -21.889 1.00 0.00 C ATOM 932 NE ARG A 66 -1.077 3.894 -22.797 1.00 0.00 N ATOM 933 CZ ARG A 66 -0.960 4.603 -23.914 1.00 0.00 C ATOM 934 NH1 ARG A 66 -1.908 5.464 -24.259 1.00 0.00 N ATOM 935 NH2 ARG A 66 0.106 4.452 -24.689 1.00 0.00 N ATOM 0 H ARG A 66 -3.683 3.076 -19.105 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.311 5.231 -18.704 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.360 5.396 -21.549 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.744 6.800 -20.701 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.845 6.112 -21.827 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.618 5.301 -20.290 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.167 3.196 -21.152 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.140 3.859 -22.450 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.330 3.241 -22.560 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.729 5.583 -23.666 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.816 6.007 -25.117 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.837 3.791 -24.427 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.194 4.997 -25.547 1.00 0.00 H new ATOM 949 N VAL A 67 -5.971 5.247 -17.890 1.00 0.00 N ATOM 950 CA VAL A 67 -7.174 5.827 -17.304 1.00 0.00 C ATOM 951 C VAL A 67 -6.854 6.565 -16.009 1.00 0.00 C ATOM 952 O VAL A 67 -6.096 6.086 -15.164 1.00 0.00 O ATOM 953 CB VAL A 67 -8.236 4.749 -17.019 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.856 3.937 -15.790 1.00 0.00 C ATOM 955 CG2 VAL A 67 -9.607 5.384 -16.846 1.00 0.00 C ATOM 0 H VAL A 67 -5.656 4.387 -17.442 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.571 6.534 -18.033 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.280 4.072 -17.873 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.618 3.180 -15.604 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.895 3.451 -15.958 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.782 4.598 -14.926 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.345 4.607 -16.645 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.581 6.084 -16.011 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.879 5.916 -17.757 1.00 0.00 H new ATOM 965 N PRO A 68 -7.444 7.758 -15.846 1.00 0.00 N ATOM 966 CA PRO A 68 -7.238 8.587 -14.654 1.00 0.00 C ATOM 967 C PRO A 68 -7.886 7.987 -13.411 1.00 0.00 C ATOM 968 O PRO A 68 -9.111 7.910 -13.313 1.00 0.00 O ATOM 969 CB PRO A 68 -7.912 9.911 -15.023 1.00 0.00 C ATOM 970 CG PRO A 68 -8.936 9.544 -16.041 1.00 0.00 C ATOM 971 CD PRO A 68 -8.359 8.389 -16.811 1.00 0.00 C ATOM 0 HA PRO A 68 -6.182 8.686 -14.403 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.370 10.378 -14.151 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.192 10.623 -15.425 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.876 9.265 -15.566 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.149 10.385 -16.701 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.135 7.698 -17.140 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.832 8.725 -17.704 1.00 0.00 H new ATOM 979 N TYR A 69 -7.057 7.563 -12.464 1.00 0.00 N ATOM 980 CA TYR A 69 -7.550 6.968 -11.227 1.00 0.00 C ATOM 981 C TYR A 69 -6.982 7.692 -10.010 1.00 0.00 C ATOM 982 O TYR A 69 -5.866 8.211 -10.029 1.00 0.00 O ATOM 983 CB TYR A 69 -7.182 5.484 -11.169 1.00 0.00 C ATOM 984 CG TYR A 69 -5.696 5.224 -11.274 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.879 5.286 -10.152 1.00 0.00 C ATOM 986 CD2 TYR A 69 -5.109 4.917 -12.496 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.521 5.049 -10.243 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.752 4.678 -12.596 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.963 4.745 -11.467 1.00 0.00 C ATOM 990 OH TYR A 69 -1.610 4.509 -11.563 1.00 0.00 O ATOM 0 H TYR A 69 -6.041 7.620 -12.529 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.635 7.068 -11.213 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.551 5.063 -10.234 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.692 4.960 -11.977 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.313 5.524 -9.192 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.724 4.864 -13.382 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.900 5.101 -9.361 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.312 4.440 -13.553 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.378 4.308 -12.494 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.769 7.728 -8.925 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.367 8.384 -7.677 1.00 0.00 C ATOM 1002 C PRO A 70 -6.248 7.634 -6.962 1.00 0.00 C ATOM 1003 O PRO A 70 -6.499 6.678 -6.228 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.647 8.364 -6.837 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.426 7.209 -7.363 1.00 0.00 C ATOM 1006 CD PRO A 70 -9.112 7.131 -8.831 1.00 0.00 C ATOM 0 HA PRO A 70 -6.971 9.385 -7.852 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.423 8.241 -5.777 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.203 9.296 -6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.147 6.286 -6.855 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.494 7.352 -7.200 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.120 6.102 -9.189 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.839 7.682 -9.427 1.00 0.00 H new ATOM 1014 N PHE A 71 -5.014 8.075 -7.180 1.00 0.00 N ATOM 1015 CA PHE A 71 -3.856 7.445 -6.556 1.00 0.00 C ATOM 1016 C PHE A 71 -4.073 7.272 -5.055 1.00 0.00 C ATOM 1017 O PHE A 71 -4.161 8.250 -4.313 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.597 8.277 -6.808 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.398 7.799 -6.041 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -0.629 6.749 -6.517 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.041 8.398 -4.844 1.00 0.00 C ATOM 1022 CE1 PHE A 71 0.476 6.307 -5.813 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.063 7.960 -4.137 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.822 6.912 -4.621 1.00 0.00 C ATOM 0 H PHE A 71 -4.790 8.866 -7.784 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.727 6.459 -7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.367 8.260 -7.873 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.798 9.315 -6.542 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.896 6.271 -7.448 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.632 9.216 -4.459 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.068 5.489 -6.195 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.332 8.437 -3.206 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.684 6.567 -4.069 1.00 0.00 H new ATOM 1034 N GLY A 72 -4.160 6.020 -4.616 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.367 5.742 -3.207 1.00 0.00 C ATOM 1036 C GLY A 72 -5.464 4.722 -2.972 1.00 0.00 C ATOM 1037 O GLY A 72 -5.347 3.865 -2.098 1.00 0.00 O ATOM 0 H GLY A 72 -4.091 5.194 -5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.437 5.377 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.619 6.668 -2.690 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.534 4.817 -3.755 1.00 0.00 N ATOM 1042 CA ASN A 73 -7.658 3.897 -3.626 1.00 0.00 C ATOM 1043 C ASN A 73 -7.361 2.573 -4.325 1.00 0.00 C ATOM 1044 O ASN A 73 -8.197 2.043 -5.057 1.00 0.00 O ATOM 1045 CB ASN A 73 -8.926 4.522 -4.213 1.00 0.00 C ATOM 1046 CG ASN A 73 -9.521 5.582 -3.306 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -9.846 5.314 -2.150 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -9.666 6.794 -3.829 1.00 0.00 N ATOM 0 H ASN A 73 -6.646 5.521 -4.485 1.00 0.00 H new ATOM 0 HA ASN A 73 -7.814 3.701 -2.565 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.695 4.965 -5.182 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.666 3.741 -4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.061 7.548 -3.267 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.383 6.971 -4.793 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.165 2.044 -4.092 1.00 0.00 N ATOM 1056 CA LEU A 74 -5.756 0.782 -4.698 1.00 0.00 C ATOM 1057 C LEU A 74 -5.847 -0.360 -3.690 1.00 0.00 C ATOM 1058 O LEU A 74 -5.312 -0.272 -2.585 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.328 0.890 -5.235 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.079 1.995 -6.262 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.595 2.311 -6.358 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.630 1.593 -7.623 1.00 0.00 C ATOM 0 H LEU A 74 -5.462 2.469 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.433 0.568 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.655 1.047 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.057 -0.065 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.600 2.894 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.438 3.100 -7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.230 2.644 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.052 1.417 -6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.444 2.391 -8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.138 0.680 -7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.703 1.419 -7.544 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.526 -1.433 -4.080 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.685 -2.595 -3.214 1.00 0.00 C ATOM 1076 C LYS A 75 -5.686 -3.688 -3.581 1.00 0.00 C ATOM 1077 O LYS A 75 -5.354 -3.893 -4.749 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.111 -3.140 -3.313 1.00 0.00 C ATOM 1079 CG LYS A 75 -9.179 -2.115 -2.969 1.00 0.00 C ATOM 1080 CD LYS A 75 -10.484 -2.783 -2.569 1.00 0.00 C ATOM 1081 CE LYS A 75 -11.286 -3.213 -3.787 1.00 0.00 C ATOM 1082 NZ LYS A 75 -12.312 -4.236 -3.443 1.00 0.00 N ATOM 0 H LYS A 75 -6.976 -1.522 -4.991 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.493 -2.281 -2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.282 -3.505 -4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.211 -3.995 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.828 -1.482 -2.154 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.350 -1.464 -3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.273 -3.652 -1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.077 -2.095 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.774 -2.343 -4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.611 -3.615 -4.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.837 -4.503 -4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.845 -5.077 -3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.971 -3.844 -2.741 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.195 -4.409 -2.562 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.228 -5.494 -2.753 1.00 0.00 C ATOM 1098 C PRO A 76 -4.847 -6.707 -3.441 1.00 0.00 C ATOM 1099 O PRO A 76 -6.028 -7.000 -3.259 1.00 0.00 O ATOM 1100 CB PRO A 76 -3.805 -5.848 -1.325 1.00 0.00 C ATOM 1101 CG PRO A 76 -4.954 -5.429 -0.475 1.00 0.00 C ATOM 1102 CD PRO A 76 -5.546 -4.220 -1.144 1.00 0.00 C ATOM 0 HA PRO A 76 -3.400 -5.194 -3.395 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.606 -6.915 -1.224 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.891 -5.325 -1.042 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.690 -6.229 -0.392 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.625 -5.193 0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.625 -4.169 -1.000 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.128 -3.295 -0.746 1.00 0.00 H new