USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0801 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 43:sc= 1.09 USER MOD Single : A 11 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.5) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -101:sc= 1.06 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.004) USER MOD Single : A 49 THR OG1 : rot 53:sc= -0.0673 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.489 K(o=-0.49,f=-2.9!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 35:sc= 0.244 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.886 7.944 -2.071 1.00 0.00 N ATOM 2 CA GLY A 1 37.718 9.205 -1.369 1.00 0.00 C ATOM 3 C GLY A 1 36.246 9.624 -1.340 1.00 0.00 C ATOM 4 O GLY A 1 35.356 8.788 -1.488 1.00 0.00 O ATOM 0 H1 GLY A 1 38.396 7.273 -1.462 1.00 0.00 H new ATOM 0 H2 GLY A 1 36.953 7.554 -2.312 1.00 0.00 H new ATOM 0 H3 GLY A 1 38.430 8.102 -2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 1 38.093 9.111 -0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 1 38.311 9.979 -1.857 1.00 0.00 H new ATOM 8 N SER A 2 36.037 10.918 -1.147 1.00 0.00 N ATOM 9 CA SER A 2 34.689 11.458 -1.097 1.00 0.00 C ATOM 10 C SER A 2 33.935 10.873 0.099 1.00 0.00 C ATOM 11 O SER A 2 34.225 9.760 0.536 1.00 0.00 O ATOM 12 CB SER A 2 33.931 11.171 -2.394 1.00 0.00 C ATOM 13 OG SER A 2 33.868 12.316 -3.241 1.00 0.00 O ATOM 0 H SER A 2 36.778 11.608 -1.023 1.00 0.00 H new ATOM 0 HA SER A 2 34.759 12.540 -0.981 1.00 0.00 H new ATOM 0 HB2 SER A 2 34.418 10.354 -2.925 1.00 0.00 H new ATOM 0 HB3 SER A 2 32.920 10.839 -2.157 1.00 0.00 H new ATOM 0 HG SER A 2 33.378 12.091 -4.059 1.00 0.00 H new ATOM 19 N SER A 3 32.982 11.648 0.595 1.00 0.00 N ATOM 20 CA SER A 3 32.184 11.220 1.732 1.00 0.00 C ATOM 21 C SER A 3 30.766 11.783 1.617 1.00 0.00 C ATOM 22 O SER A 3 30.582 12.994 1.503 1.00 0.00 O ATOM 23 CB SER A 3 32.825 11.659 3.050 1.00 0.00 C ATOM 24 OG SER A 3 32.161 11.097 4.179 1.00 0.00 O ATOM 0 H SER A 3 32.744 12.570 0.230 1.00 0.00 H new ATOM 0 HA SER A 3 32.137 10.131 1.727 1.00 0.00 H new ATOM 0 HB2 SER A 3 33.873 11.361 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.802 12.747 3.120 1.00 0.00 H new ATOM 0 HG SER A 3 32.601 11.399 5.001 1.00 0.00 H new ATOM 30 N GLY A 4 29.800 10.877 1.652 1.00 0.00 N ATOM 31 CA GLY A 4 28.404 11.268 1.554 1.00 0.00 C ATOM 32 C GLY A 4 28.008 11.526 0.099 1.00 0.00 C ATOM 33 O GLY A 4 27.705 12.658 -0.275 1.00 0.00 O ATOM 0 H GLY A 4 29.956 9.874 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.773 10.484 1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.232 12.167 2.146 1.00 0.00 H new ATOM 37 N SER A 5 28.022 10.456 -0.683 1.00 0.00 N ATOM 38 CA SER A 5 27.668 10.552 -2.089 1.00 0.00 C ATOM 39 C SER A 5 27.774 9.177 -2.750 1.00 0.00 C ATOM 40 O SER A 5 28.662 8.392 -2.420 1.00 0.00 O ATOM 41 CB SER A 5 28.562 11.560 -2.814 1.00 0.00 C ATOM 42 OG SER A 5 27.892 12.177 -3.910 1.00 0.00 O ATOM 0 H SER A 5 28.273 9.518 -0.369 1.00 0.00 H new ATOM 0 HA SER A 5 26.639 10.903 -2.160 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.888 12.326 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A 5 29.458 11.056 -3.175 1.00 0.00 H new ATOM 0 HG SER A 5 28.496 12.815 -4.345 1.00 0.00 H new ATOM 48 N SER A 6 26.855 8.927 -3.671 1.00 0.00 N ATOM 49 CA SER A 6 26.833 7.659 -4.382 1.00 0.00 C ATOM 50 C SER A 6 27.953 7.625 -5.424 1.00 0.00 C ATOM 51 O SER A 6 28.823 6.757 -5.377 1.00 0.00 O ATOM 52 CB SER A 6 25.478 7.426 -5.052 1.00 0.00 C ATOM 53 OG SER A 6 24.399 7.542 -4.128 1.00 0.00 O ATOM 0 H SER A 6 26.120 9.581 -3.942 1.00 0.00 H new ATOM 0 HA SER A 6 26.992 6.859 -3.659 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.344 8.147 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.463 6.434 -5.505 1.00 0.00 H new ATOM 0 HG SER A 6 23.551 7.388 -4.594 1.00 0.00 H new ATOM 59 N GLY A 7 27.894 8.579 -6.341 1.00 0.00 N ATOM 60 CA GLY A 7 28.893 8.669 -7.393 1.00 0.00 C ATOM 61 C GLY A 7 28.607 7.660 -8.507 1.00 0.00 C ATOM 62 O GLY A 7 29.364 6.708 -8.697 1.00 0.00 O ATOM 0 H GLY A 7 27.170 9.297 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.903 9.678 -7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.883 8.485 -6.976 1.00 0.00 H new ATOM 66 N THR A 8 27.514 7.901 -9.215 1.00 0.00 N ATOM 67 CA THR A 8 27.119 7.026 -10.305 1.00 0.00 C ATOM 68 C THR A 8 26.444 7.830 -11.418 1.00 0.00 C ATOM 69 O THR A 8 26.939 7.877 -12.543 1.00 0.00 O ATOM 70 CB THR A 8 26.230 5.923 -9.727 1.00 0.00 C ATOM 71 OG1 THR A 8 27.093 5.205 -8.849 1.00 0.00 O ATOM 72 CG2 THR A 8 25.824 4.887 -10.778 1.00 0.00 C ATOM 0 H THR A 8 26.889 8.691 -9.055 1.00 0.00 H new ATOM 0 HA THR A 8 27.986 6.556 -10.768 1.00 0.00 H new ATOM 0 HB THR A 8 25.336 6.369 -9.292 1.00 0.00 H new ATOM 0 HG1 THR A 8 26.596 4.472 -8.430 1.00 0.00 H new ATOM 0 HG21 THR A 8 25.194 4.127 -10.315 1.00 0.00 H new ATOM 0 HG22 THR A 8 25.271 5.378 -11.579 1.00 0.00 H new ATOM 0 HG23 THR A 8 26.717 4.417 -11.189 1.00 0.00 H new ATOM 80 N SER A 9 25.323 8.442 -11.064 1.00 0.00 N ATOM 81 CA SER A 9 24.575 9.243 -12.019 1.00 0.00 C ATOM 82 C SER A 9 23.557 10.118 -11.285 1.00 0.00 C ATOM 83 O SER A 9 23.044 9.732 -10.235 1.00 0.00 O ATOM 84 CB SER A 9 23.869 8.356 -13.047 1.00 0.00 C ATOM 85 OG SER A 9 23.619 9.048 -14.267 1.00 0.00 O ATOM 0 H SER A 9 24.915 8.399 -10.130 1.00 0.00 H new ATOM 0 HA SER A 9 25.277 9.884 -12.552 1.00 0.00 H new ATOM 0 HB2 SER A 9 24.481 7.476 -13.248 1.00 0.00 H new ATOM 0 HB3 SER A 9 22.926 8.000 -12.632 1.00 0.00 H new ATOM 0 HG SER A 9 23.169 8.448 -14.897 1.00 0.00 H new ATOM 91 N SER A 10 23.295 11.279 -11.865 1.00 0.00 N ATOM 92 CA SER A 10 22.348 12.212 -11.279 1.00 0.00 C ATOM 93 C SER A 10 21.514 12.872 -12.379 1.00 0.00 C ATOM 94 O SER A 10 21.860 13.948 -12.864 1.00 0.00 O ATOM 95 CB SER A 10 23.067 13.277 -10.447 1.00 0.00 C ATOM 96 OG SER A 10 23.907 14.103 -11.248 1.00 0.00 O ATOM 0 H SER A 10 23.722 11.596 -12.735 1.00 0.00 H new ATOM 0 HA SER A 10 21.687 11.656 -10.615 1.00 0.00 H new ATOM 0 HB2 SER A 10 22.330 13.897 -9.936 1.00 0.00 H new ATOM 0 HB3 SER A 10 23.665 12.792 -9.676 1.00 0.00 H new ATOM 0 HG SER A 10 23.438 14.343 -12.075 1.00 0.00 H new ATOM 102 N ASN A 11 20.432 12.199 -12.740 1.00 0.00 N ATOM 103 CA ASN A 11 19.546 12.706 -13.774 1.00 0.00 C ATOM 104 C ASN A 11 18.289 11.836 -13.835 1.00 0.00 C ATOM 105 O ASN A 11 18.299 10.765 -14.440 1.00 0.00 O ATOM 106 CB ASN A 11 20.218 12.661 -15.147 1.00 0.00 C ATOM 107 CG ASN A 11 20.648 14.060 -15.594 1.00 0.00 C ATOM 108 OD1 ASN A 11 21.816 14.410 -15.587 1.00 0.00 O ATOM 109 ND2 ASN A 11 19.640 14.837 -15.982 1.00 0.00 N ATOM 0 H ASN A 11 20.148 11.307 -12.335 1.00 0.00 H new ATOM 0 HA ASN A 11 19.298 13.738 -13.528 1.00 0.00 H new ATOM 0 HB2 ASN A 11 21.087 12.004 -15.109 1.00 0.00 H new ATOM 0 HB3 ASN A 11 19.530 12.237 -15.879 1.00 0.00 H new ATOM 0 HD21 ASN A 11 19.823 15.789 -16.299 1.00 0.00 H new ATOM 0 HD22 ASN A 11 18.685 14.480 -15.963 1.00 0.00 H new ATOM 116 N PRO A 12 17.208 12.342 -13.182 1.00 0.00 N ATOM 117 CA PRO A 12 15.945 11.622 -13.156 1.00 0.00 C ATOM 118 C PRO A 12 15.226 11.728 -14.503 1.00 0.00 C ATOM 119 O PRO A 12 15.407 10.881 -15.376 1.00 0.00 O ATOM 120 CB PRO A 12 15.161 12.246 -12.013 1.00 0.00 C ATOM 121 CG PRO A 12 15.816 13.590 -11.743 1.00 0.00 C ATOM 122 CD PRO A 12 17.158 13.607 -12.455 1.00 0.00 C ATOM 0 HA PRO A 12 16.073 10.552 -12.996 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.112 12.370 -12.281 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.191 11.612 -11.127 1.00 0.00 H new ATOM 0 HG2 PRO A 12 15.183 14.402 -12.102 1.00 0.00 H new ATOM 0 HG3 PRO A 12 15.950 13.741 -10.672 1.00 0.00 H new ATOM 0 HD2 PRO A 12 17.236 14.457 -13.133 1.00 0.00 H new ATOM 0 HD3 PRO A 12 17.982 13.689 -11.746 1.00 0.00 H new ATOM 130 N VAL A 13 14.425 12.776 -14.628 1.00 0.00 N ATOM 131 CA VAL A 13 13.677 13.004 -15.853 1.00 0.00 C ATOM 132 C VAL A 13 13.139 11.669 -16.372 1.00 0.00 C ATOM 133 O VAL A 13 13.796 10.996 -17.165 1.00 0.00 O ATOM 134 CB VAL A 13 14.554 13.732 -16.874 1.00 0.00 C ATOM 135 CG1 VAL A 13 13.846 13.843 -18.225 1.00 0.00 C ATOM 136 CG2 VAL A 13 14.968 15.111 -16.356 1.00 0.00 C ATOM 0 H VAL A 13 14.278 13.477 -13.901 1.00 0.00 H new ATOM 0 HA VAL A 13 12.819 13.649 -15.662 1.00 0.00 H new ATOM 0 HB VAL A 13 15.460 13.143 -17.019 1.00 0.00 H new ATOM 0 HG11 VAL A 13 14.491 14.364 -18.932 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.625 12.845 -18.603 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.916 14.399 -18.104 1.00 0.00 H new ATOM 0 HG21 VAL A 13 15.591 15.607 -17.100 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.078 15.712 -16.169 1.00 0.00 H new ATOM 0 HG23 VAL A 13 15.531 14.998 -15.430 1.00 0.00 H new ATOM 146 N LEU A 14 11.947 11.326 -15.905 1.00 0.00 N ATOM 147 CA LEU A 14 11.313 10.084 -16.312 1.00 0.00 C ATOM 148 C LEU A 14 9.959 9.954 -15.610 1.00 0.00 C ATOM 149 O LEU A 14 9.701 8.962 -14.931 1.00 0.00 O ATOM 150 CB LEU A 14 12.249 8.899 -16.067 1.00 0.00 C ATOM 151 CG LEU A 14 12.780 8.195 -17.317 1.00 0.00 C ATOM 152 CD1 LEU A 14 14.279 7.912 -17.192 1.00 0.00 C ATOM 153 CD2 LEU A 14 11.980 6.925 -17.614 1.00 0.00 C ATOM 0 H LEU A 14 11.404 11.887 -15.249 1.00 0.00 H new ATOM 0 HA LEU A 14 11.118 10.089 -17.384 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.100 9.248 -15.482 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.722 8.165 -15.457 1.00 0.00 H new ATOM 0 HG LEU A 14 12.648 8.864 -18.167 1.00 0.00 H new ATOM 0 HD11 LEU A 14 14.631 7.411 -18.094 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.817 8.851 -17.065 1.00 0.00 H new ATOM 0 HD13 LEU A 14 14.458 7.272 -16.328 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.379 6.445 -18.508 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.057 6.241 -16.769 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.934 7.184 -17.777 1.00 0.00 H new ATOM 165 N GLU A 15 9.131 10.970 -15.799 1.00 0.00 N ATOM 166 CA GLU A 15 7.810 10.982 -15.193 1.00 0.00 C ATOM 167 C GLU A 15 6.976 12.133 -15.759 1.00 0.00 C ATOM 168 O GLU A 15 7.524 13.111 -16.265 1.00 0.00 O ATOM 169 CB GLU A 15 7.908 11.074 -13.669 1.00 0.00 C ATOM 170 CG GLU A 15 8.544 12.397 -13.238 1.00 0.00 C ATOM 171 CD GLU A 15 10.047 12.233 -13.007 1.00 0.00 C ATOM 172 OE1 GLU A 15 10.418 11.214 -12.386 1.00 0.00 O ATOM 173 OE2 GLU A 15 10.792 13.131 -13.456 1.00 0.00 O ATOM 0 H GLU A 15 9.349 11.791 -16.363 1.00 0.00 H new ATOM 0 HA GLU A 15 7.311 10.044 -15.437 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.914 10.985 -13.231 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.499 10.241 -13.288 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.370 13.154 -14.003 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.069 12.752 -12.324 1.00 0.00 H new ATOM 180 N LEU A 16 5.664 11.978 -15.655 1.00 0.00 N ATOM 181 CA LEU A 16 4.749 12.992 -16.151 1.00 0.00 C ATOM 182 C LEU A 16 3.554 13.101 -15.202 1.00 0.00 C ATOM 183 O LEU A 16 2.667 12.249 -15.215 1.00 0.00 O ATOM 184 CB LEU A 16 4.359 12.699 -17.601 1.00 0.00 C ATOM 185 CG LEU A 16 5.406 13.048 -18.661 1.00 0.00 C ATOM 186 CD1 LEU A 16 5.087 12.365 -19.992 1.00 0.00 C ATOM 187 CD2 LEU A 16 5.548 14.564 -18.813 1.00 0.00 C ATOM 0 H LEU A 16 5.213 11.165 -15.235 1.00 0.00 H new ATOM 0 HA LEU A 16 5.234 13.968 -16.168 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.125 11.638 -17.686 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.444 13.247 -17.828 1.00 0.00 H new ATOM 0 HG LEU A 16 6.371 12.667 -18.327 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.846 12.630 -20.728 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.077 11.284 -19.853 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.110 12.694 -20.345 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.298 14.785 -19.572 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.591 14.991 -19.113 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.856 14.998 -17.862 1.00 0.00 H new ATOM 199 N GLU A 17 3.569 14.157 -14.402 1.00 0.00 N ATOM 200 CA GLU A 17 2.497 14.389 -13.449 1.00 0.00 C ATOM 201 C GLU A 17 2.339 13.180 -12.523 1.00 0.00 C ATOM 202 O GLU A 17 1.508 12.308 -12.771 1.00 0.00 O ATOM 203 CB GLU A 17 1.183 14.704 -14.167 1.00 0.00 C ATOM 204 CG GLU A 17 1.213 16.108 -14.774 1.00 0.00 C ATOM 205 CD GLU A 17 1.933 16.107 -16.124 1.00 0.00 C ATOM 206 OE1 GLU A 17 3.179 16.197 -16.103 1.00 0.00 O ATOM 207 OE2 GLU A 17 1.220 16.015 -17.147 1.00 0.00 O ATOM 0 H GLU A 17 4.307 14.861 -14.394 1.00 0.00 H new ATOM 0 HA GLU A 17 2.758 15.256 -12.842 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.008 13.968 -14.952 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.353 14.625 -13.465 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.194 16.475 -14.901 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.715 16.793 -14.091 1.00 0.00 H new ATOM 214 N LEU A 18 3.150 13.168 -11.475 1.00 0.00 N ATOM 215 CA LEU A 18 3.111 12.082 -10.511 1.00 0.00 C ATOM 216 C LEU A 18 1.680 11.912 -9.999 1.00 0.00 C ATOM 217 O LEU A 18 0.885 12.849 -10.045 1.00 0.00 O ATOM 218 CB LEU A 18 4.139 12.313 -9.402 1.00 0.00 C ATOM 219 CG LEU A 18 5.526 11.712 -9.636 1.00 0.00 C ATOM 220 CD1 LEU A 18 6.374 12.622 -10.527 1.00 0.00 C ATOM 221 CD2 LEU A 18 6.220 11.400 -8.309 1.00 0.00 C ATOM 0 H LEU A 18 3.838 13.893 -11.273 1.00 0.00 H new ATOM 0 HA LEU A 18 3.394 11.142 -10.984 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.251 13.387 -9.256 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.740 11.905 -8.474 1.00 0.00 H new ATOM 0 HG LEU A 18 5.404 10.767 -10.165 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.355 12.172 -10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.881 12.749 -11.491 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.491 13.594 -10.048 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.204 10.974 -8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.330 12.318 -7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.621 10.686 -7.744 1.00 0.00 H new ATOM 233 N ALA A 19 1.395 10.709 -9.521 1.00 0.00 N ATOM 234 CA ALA A 19 0.074 10.404 -9.000 1.00 0.00 C ATOM 235 C ALA A 19 -0.857 10.044 -10.160 1.00 0.00 C ATOM 236 O ALA A 19 -1.737 10.825 -10.520 1.00 0.00 O ATOM 237 CB ALA A 19 -0.442 11.594 -8.187 1.00 0.00 C ATOM 0 H ALA A 19 2.057 9.934 -9.484 1.00 0.00 H new ATOM 0 HA ALA A 19 0.115 9.545 -8.331 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.433 11.365 -7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.238 11.791 -7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.499 12.475 -8.827 1.00 0.00 H new ATOM 243 N GLU A 20 -0.630 8.862 -10.713 1.00 0.00 N ATOM 244 CA GLU A 20 -1.437 8.388 -11.825 1.00 0.00 C ATOM 245 C GLU A 20 -1.900 6.952 -11.571 1.00 0.00 C ATOM 246 O GLU A 20 -1.421 6.020 -12.215 1.00 0.00 O ATOM 247 CB GLU A 20 -0.669 8.493 -13.143 1.00 0.00 C ATOM 248 CG GLU A 20 -1.360 9.460 -14.106 1.00 0.00 C ATOM 249 CD GLU A 20 -1.194 9.003 -15.557 1.00 0.00 C ATOM 250 OE1 GLU A 20 -1.325 7.781 -15.785 1.00 0.00 O ATOM 251 OE2 GLU A 20 -0.940 9.885 -16.404 1.00 0.00 O ATOM 0 H GLU A 20 0.101 8.218 -10.412 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.319 9.023 -11.906 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.348 8.833 -12.949 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.594 7.508 -13.603 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.420 9.527 -13.861 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.942 10.459 -13.986 1.00 0.00 H new ATOM 258 N GLU A 21 -2.825 6.819 -10.632 1.00 0.00 N ATOM 259 CA GLU A 21 -3.357 5.512 -10.286 1.00 0.00 C ATOM 260 C GLU A 21 -3.929 4.826 -11.528 1.00 0.00 C ATOM 261 O GLU A 21 -4.053 3.603 -11.565 1.00 0.00 O ATOM 262 CB GLU A 21 -4.415 5.625 -9.186 1.00 0.00 C ATOM 263 CG GLU A 21 -5.429 6.724 -9.511 1.00 0.00 C ATOM 264 CD GLU A 21 -6.703 6.557 -8.680 1.00 0.00 C ATOM 265 OE1 GLU A 21 -6.656 6.931 -7.488 1.00 0.00 O ATOM 266 OE2 GLU A 21 -7.695 6.059 -9.256 1.00 0.00 O ATOM 0 H GLU A 21 -3.220 7.595 -10.100 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.542 4.900 -9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.931 4.671 -9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.932 5.841 -8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.988 7.701 -9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.676 6.694 -10.572 1.00 0.00 H new ATOM 273 N LYS A 22 -4.263 5.643 -12.516 1.00 0.00 N ATOM 274 CA LYS A 22 -4.818 5.130 -13.757 1.00 0.00 C ATOM 275 C LYS A 22 -3.800 4.202 -14.421 1.00 0.00 C ATOM 276 O LYS A 22 -2.681 4.051 -13.933 1.00 0.00 O ATOM 277 CB LYS A 22 -5.279 6.281 -14.654 1.00 0.00 C ATOM 278 CG LYS A 22 -6.623 5.960 -15.311 1.00 0.00 C ATOM 279 CD LYS A 22 -6.514 6.016 -16.836 1.00 0.00 C ATOM 280 CE LYS A 22 -7.696 5.302 -17.496 1.00 0.00 C ATOM 281 NZ LYS A 22 -8.439 6.233 -18.374 1.00 0.00 N ATOM 0 H LYS A 22 -4.160 6.657 -12.482 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.709 4.535 -13.558 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.367 7.193 -14.064 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.530 6.470 -15.423 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.955 4.969 -15.003 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.377 6.669 -14.970 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.483 7.055 -17.164 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.580 5.553 -17.155 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.337 4.453 -18.077 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.362 4.905 -16.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.238 5.733 -18.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.798 7.030 -17.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.804 6.592 -19.116 1.00 0.00 H new ATOM 295 N LEU A 23 -4.223 3.605 -15.526 1.00 0.00 N ATOM 296 CA LEU A 23 -3.362 2.696 -16.262 1.00 0.00 C ATOM 297 C LEU A 23 -3.093 1.453 -15.411 1.00 0.00 C ATOM 298 O LEU A 23 -3.125 1.518 -14.183 1.00 0.00 O ATOM 299 CB LEU A 23 -2.091 3.414 -16.720 1.00 0.00 C ATOM 300 CG LEU A 23 -1.774 3.329 -18.214 1.00 0.00 C ATOM 301 CD1 LEU A 23 -2.081 4.652 -18.917 1.00 0.00 C ATOM 302 CD2 LEU A 23 -0.329 2.881 -18.443 1.00 0.00 C ATOM 0 H LEU A 23 -5.151 3.734 -15.929 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.856 2.358 -17.173 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.173 4.466 -16.445 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.246 3.005 -16.166 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.421 2.572 -18.657 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.846 4.563 -19.978 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.138 4.891 -18.798 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.478 5.446 -18.477 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.130 2.829 -19.513 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.351 3.597 -17.982 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.178 1.898 -17.997 1.00 0.00 H new ATOM 314 N PRO A 24 -2.827 0.320 -16.116 1.00 0.00 N ATOM 315 CA PRO A 24 -2.553 -0.935 -15.438 1.00 0.00 C ATOM 316 C PRO A 24 -1.146 -0.938 -14.837 1.00 0.00 C ATOM 317 O PRO A 24 -0.535 0.117 -14.674 1.00 0.00 O ATOM 318 CB PRO A 24 -2.747 -2.006 -16.500 1.00 0.00 C ATOM 319 CG PRO A 24 -2.666 -1.286 -17.837 1.00 0.00 C ATOM 320 CD PRO A 24 -2.781 0.206 -17.571 1.00 0.00 C ATOM 0 HA PRO A 24 -3.216 -1.108 -14.590 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.979 -2.776 -16.424 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.710 -2.504 -16.382 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.724 -1.513 -18.336 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.466 -1.619 -18.499 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.931 0.749 -17.984 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.678 0.622 -18.030 1.00 0.00 H new ATOM 328 N MET A 25 -0.674 -2.135 -14.523 1.00 0.00 N ATOM 329 CA MET A 25 0.650 -2.289 -13.943 1.00 0.00 C ATOM 330 C MET A 25 1.676 -1.427 -14.681 1.00 0.00 C ATOM 331 O MET A 25 2.057 -1.738 -15.809 1.00 0.00 O ATOM 332 CB MET A 25 1.071 -3.758 -14.015 1.00 0.00 C ATOM 333 CG MET A 25 2.110 -4.084 -12.940 1.00 0.00 C ATOM 334 SD MET A 25 3.245 -5.322 -13.543 1.00 0.00 S ATOM 335 CE MET A 25 3.881 -5.941 -11.994 1.00 0.00 C ATOM 0 H MET A 25 -1.184 -3.008 -14.659 1.00 0.00 H new ATOM 0 HA MET A 25 0.611 -1.963 -12.904 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.197 -4.397 -13.887 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.482 -3.974 -15.001 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.656 -3.182 -12.665 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.613 -4.443 -12.039 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.610 -6.728 -12.188 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.361 -5.129 -11.447 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.061 -6.344 -11.399 1.00 0.00 H new ATOM 345 N THR A 26 2.094 -0.361 -14.016 1.00 0.00 N ATOM 346 CA THR A 26 3.068 0.549 -14.595 1.00 0.00 C ATOM 347 C THR A 26 3.926 1.180 -13.497 1.00 0.00 C ATOM 348 O THR A 26 4.274 2.357 -13.575 1.00 0.00 O ATOM 349 CB THR A 26 2.312 1.575 -15.440 1.00 0.00 C ATOM 350 OG1 THR A 26 1.174 1.906 -14.650 1.00 0.00 O ATOM 351 CG2 THR A 26 1.718 0.964 -16.711 1.00 0.00 C ATOM 0 H THR A 26 1.776 -0.106 -13.081 1.00 0.00 H new ATOM 0 HA THR A 26 3.765 0.021 -15.246 1.00 0.00 H new ATOM 0 HB THR A 26 2.985 2.389 -15.709 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.390 1.426 -14.989 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.192 1.735 -17.274 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.518 0.549 -17.324 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.020 0.172 -16.442 1.00 0.00 H new ATOM 359 N LEU A 27 4.244 0.369 -12.499 1.00 0.00 N ATOM 360 CA LEU A 27 5.056 0.833 -11.386 1.00 0.00 C ATOM 361 C LEU A 27 6.005 -0.286 -10.951 1.00 0.00 C ATOM 362 O LEU A 27 5.567 -1.301 -10.412 1.00 0.00 O ATOM 363 CB LEU A 27 4.167 1.359 -10.258 1.00 0.00 C ATOM 364 CG LEU A 27 3.071 2.344 -10.670 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.180 2.704 -9.480 1.00 0.00 C ATOM 366 CD2 LEU A 27 3.672 3.586 -11.333 1.00 0.00 C ATOM 0 H LEU A 27 3.954 -0.607 -12.437 1.00 0.00 H new ATOM 0 HA LEU A 27 5.676 1.676 -11.692 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.696 0.508 -9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.803 1.843 -9.517 1.00 0.00 H new ATOM 0 HG LEU A 27 2.436 1.858 -11.411 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.410 3.405 -9.801 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.709 1.801 -9.092 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.785 3.163 -8.698 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.872 4.270 -11.616 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.344 4.083 -10.633 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.229 3.290 -12.222 1.00 0.00 H new ATOM 378 N SER A 28 7.286 -0.062 -11.201 1.00 0.00 N ATOM 379 CA SER A 28 8.301 -1.038 -10.842 1.00 0.00 C ATOM 380 C SER A 28 8.449 -1.103 -9.321 1.00 0.00 C ATOM 381 O SER A 28 8.029 -0.189 -8.613 1.00 0.00 O ATOM 382 CB SER A 28 9.644 -0.702 -11.493 1.00 0.00 C ATOM 383 OG SER A 28 9.647 -0.987 -12.889 1.00 0.00 O ATOM 0 H SER A 28 7.645 0.782 -11.648 1.00 0.00 H new ATOM 0 HA SER A 28 7.984 -2.013 -11.212 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.868 0.353 -11.338 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.436 -1.271 -11.005 1.00 0.00 H new ATOM 0 HG SER A 28 10.521 -0.757 -13.268 1.00 0.00 H new ATOM 389 N ARG A 29 9.048 -2.192 -8.862 1.00 0.00 N ATOM 390 CA ARG A 29 9.257 -2.388 -7.438 1.00 0.00 C ATOM 391 C ARG A 29 9.637 -1.065 -6.770 1.00 0.00 C ATOM 392 O ARG A 29 8.967 -0.621 -5.839 1.00 0.00 O ATOM 393 CB ARG A 29 10.360 -3.416 -7.179 1.00 0.00 C ATOM 394 CG ARG A 29 11.566 -3.168 -8.089 1.00 0.00 C ATOM 395 CD ARG A 29 12.144 -4.487 -8.605 1.00 0.00 C ATOM 396 NE ARG A 29 13.302 -4.891 -7.777 1.00 0.00 N ATOM 397 CZ ARG A 29 14.454 -4.209 -7.713 1.00 0.00 C ATOM 398 NH1 ARG A 29 14.608 -3.086 -8.428 1.00 0.00 N ATOM 399 NH2 ARG A 29 15.451 -4.650 -6.934 1.00 0.00 N ATOM 0 H ARG A 29 9.395 -2.948 -9.452 1.00 0.00 H new ATOM 0 HA ARG A 29 8.323 -2.759 -7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.671 -3.366 -6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.973 -4.421 -7.348 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.268 -2.543 -8.931 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.333 -2.620 -7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.379 -5.263 -8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.451 -4.377 -9.645 1.00 0.00 H new ATOM 0 HE ARG A 29 13.218 -5.742 -7.220 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.849 -2.751 -9.021 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.485 -2.567 -8.380 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.333 -5.505 -6.390 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.328 -4.131 -6.885 1.00 0.00 H new ATOM 413 N GLN A 30 10.710 -0.472 -7.272 1.00 0.00 N ATOM 414 CA GLN A 30 11.186 0.792 -6.736 1.00 0.00 C ATOM 415 C GLN A 30 10.068 1.836 -6.765 1.00 0.00 C ATOM 416 O GLN A 30 9.844 2.537 -5.779 1.00 0.00 O ATOM 417 CB GLN A 30 12.416 1.284 -7.502 1.00 0.00 C ATOM 418 CG GLN A 30 13.428 1.932 -6.556 1.00 0.00 C ATOM 419 CD GLN A 30 14.817 1.316 -6.734 1.00 0.00 C ATOM 420 OE1 GLN A 30 15.381 1.293 -7.816 1.00 0.00 O ATOM 421 NE2 GLN A 30 15.336 0.818 -5.615 1.00 0.00 N ATOM 0 H GLN A 30 11.263 -0.843 -8.044 1.00 0.00 H new ATOM 0 HA GLN A 30 11.483 0.636 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.883 0.448 -8.023 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.112 2.003 -8.263 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.475 3.004 -6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.100 1.806 -5.524 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.811 0.870 -4.742 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.259 0.384 -5.630 1.00 0.00 H new ATOM 430 N GLU A 31 9.396 1.906 -7.904 1.00 0.00 N ATOM 431 CA GLU A 31 8.307 2.852 -8.074 1.00 0.00 C ATOM 432 C GLU A 31 7.229 2.616 -7.015 1.00 0.00 C ATOM 433 O GLU A 31 6.495 3.535 -6.655 1.00 0.00 O ATOM 434 CB GLU A 31 7.719 2.765 -9.484 1.00 0.00 C ATOM 435 CG GLU A 31 7.329 4.151 -10.002 1.00 0.00 C ATOM 436 CD GLU A 31 8.536 5.092 -10.010 1.00 0.00 C ATOM 437 OE1 GLU A 31 9.295 5.032 -11.001 1.00 0.00 O ATOM 438 OE2 GLU A 31 8.670 5.851 -9.026 1.00 0.00 O ATOM 0 H GLU A 31 9.585 1.322 -8.719 1.00 0.00 H new ATOM 0 HA GLU A 31 8.703 3.859 -7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.446 2.312 -10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.844 2.116 -9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.923 4.066 -11.010 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.541 4.569 -9.375 1.00 0.00 H new ATOM 445 N VAL A 32 7.167 1.379 -6.545 1.00 0.00 N ATOM 446 CA VAL A 32 6.190 1.010 -5.534 1.00 0.00 C ATOM 447 C VAL A 32 6.812 1.174 -4.146 1.00 0.00 C ATOM 448 O VAL A 32 6.119 1.508 -3.187 1.00 0.00 O ATOM 449 CB VAL A 32 5.676 -0.408 -5.796 1.00 0.00 C ATOM 450 CG1 VAL A 32 4.768 -0.880 -4.658 1.00 0.00 C ATOM 451 CG2 VAL A 32 4.956 -0.490 -7.143 1.00 0.00 C ATOM 0 H VAL A 32 7.777 0.619 -6.845 1.00 0.00 H new ATOM 0 HA VAL A 32 5.323 1.669 -5.581 1.00 0.00 H new ATOM 0 HB VAL A 32 6.537 -1.075 -5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.416 -1.890 -4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.327 -0.878 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.914 -0.209 -4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.601 -1.508 -7.304 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.108 0.195 -7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.645 -0.215 -7.941 1.00 0.00 H new ATOM 461 N ILE A 33 8.113 0.930 -4.083 1.00 0.00 N ATOM 462 CA ILE A 33 8.837 1.046 -2.829 1.00 0.00 C ATOM 463 C ILE A 33 8.881 2.516 -2.405 1.00 0.00 C ATOM 464 O ILE A 33 8.734 2.830 -1.225 1.00 0.00 O ATOM 465 CB ILE A 33 10.218 0.398 -2.945 1.00 0.00 C ATOM 466 CG1 ILE A 33 10.105 -1.127 -2.996 1.00 0.00 C ATOM 467 CG2 ILE A 33 11.140 0.867 -1.817 1.00 0.00 C ATOM 468 CD1 ILE A 33 11.385 -1.753 -3.553 1.00 0.00 C ATOM 0 H ILE A 33 8.684 0.652 -4.881 1.00 0.00 H new ATOM 0 HA ILE A 33 8.320 0.501 -2.039 1.00 0.00 H new ATOM 0 HB ILE A 33 10.669 0.719 -3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.912 -1.515 -1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.256 -1.412 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.115 0.392 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.257 1.950 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.706 0.594 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.278 -2.837 -3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.562 -1.382 -4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.228 -1.486 -2.915 1.00 0.00 H new ATOM 480 N ARG A 34 9.085 3.377 -3.391 1.00 0.00 N ATOM 481 CA ARG A 34 9.150 4.806 -3.135 1.00 0.00 C ATOM 482 C ARG A 34 7.930 5.257 -2.330 1.00 0.00 C ATOM 483 O ARG A 34 8.033 5.516 -1.132 1.00 0.00 O ATOM 484 CB ARG A 34 9.211 5.598 -4.443 1.00 0.00 C ATOM 485 CG ARG A 34 10.643 6.041 -4.749 1.00 0.00 C ATOM 486 CD ARG A 34 11.079 5.566 -6.136 1.00 0.00 C ATOM 487 NE ARG A 34 10.593 6.508 -7.169 1.00 0.00 N ATOM 488 CZ ARG A 34 11.031 7.767 -7.304 1.00 0.00 C ATOM 489 NH1 ARG A 34 11.967 8.243 -6.472 1.00 0.00 N ATOM 490 NH2 ARG A 34 10.533 8.550 -8.271 1.00 0.00 N ATOM 0 H ARG A 34 9.207 3.113 -4.369 1.00 0.00 H new ATOM 0 HA ARG A 34 10.058 4.999 -2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.833 4.985 -5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.563 6.472 -4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.711 7.128 -4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.320 5.641 -3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.166 5.494 -6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.685 4.568 -6.328 1.00 0.00 H new ATOM 0 HE ARG A 34 9.880 6.178 -7.819 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.346 7.647 -5.736 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.301 9.201 -6.575 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.820 8.187 -8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.867 9.508 -8.374 1.00 0.00 H new ATOM 504 N ARG A 35 6.802 5.338 -3.020 1.00 0.00 N ATOM 505 CA ARG A 35 5.563 5.753 -2.385 1.00 0.00 C ATOM 506 C ARG A 35 5.427 5.099 -1.008 1.00 0.00 C ATOM 507 O ARG A 35 5.413 5.787 0.011 1.00 0.00 O ATOM 508 CB ARG A 35 4.352 5.379 -3.241 1.00 0.00 C ATOM 509 CG ARG A 35 4.240 6.293 -4.463 1.00 0.00 C ATOM 510 CD ARG A 35 4.465 5.509 -5.757 1.00 0.00 C ATOM 511 NE ARG A 35 3.883 6.244 -6.902 1.00 0.00 N ATOM 512 CZ ARG A 35 4.521 7.207 -7.580 1.00 0.00 C ATOM 513 NH1 ARG A 35 5.767 7.558 -7.232 1.00 0.00 N ATOM 514 NH2 ARG A 35 3.914 7.820 -8.605 1.00 0.00 N ATOM 0 H ARG A 35 6.720 5.123 -4.014 1.00 0.00 H new ATOM 0 HA ARG A 35 5.594 6.837 -2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.438 4.342 -3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.443 5.452 -2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.255 6.760 -4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.972 7.097 -4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.532 5.355 -5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.009 4.522 -5.678 1.00 0.00 H new ATOM 0 HE ARG A 35 2.936 6.002 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.229 7.092 -6.451 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.253 8.291 -7.748 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.966 7.553 -8.869 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.400 8.553 -9.121 1.00 0.00 H new ATOM 528 N LEU A 36 5.332 3.778 -1.023 1.00 0.00 N ATOM 529 CA LEU A 36 5.198 3.023 0.211 1.00 0.00 C ATOM 530 C LEU A 36 6.103 3.638 1.281 1.00 0.00 C ATOM 531 O LEU A 36 5.619 4.164 2.282 1.00 0.00 O ATOM 532 CB LEU A 36 5.462 1.537 -0.038 1.00 0.00 C ATOM 533 CG LEU A 36 4.474 0.826 -0.965 1.00 0.00 C ATOM 534 CD1 LEU A 36 5.019 -0.533 -1.408 1.00 0.00 C ATOM 535 CD2 LEU A 36 3.097 0.706 -0.311 1.00 0.00 C ATOM 0 H LEU A 36 5.345 3.211 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 36 4.176 3.083 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.463 1.431 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.463 1.022 0.923 1.00 0.00 H new ATOM 0 HG LEU A 36 4.352 1.432 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.298 -1.017 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.959 -0.392 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.189 -1.160 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.414 0.197 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.182 0.134 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.712 1.701 -0.088 1.00 0.00 H new ATOM 547 N ARG A 37 7.402 3.551 1.032 1.00 0.00 N ATOM 548 CA ARG A 37 8.379 4.093 1.961 1.00 0.00 C ATOM 549 C ARG A 37 7.967 5.497 2.407 1.00 0.00 C ATOM 550 O ARG A 37 7.892 5.775 3.603 1.00 0.00 O ATOM 551 CB ARG A 37 9.769 4.155 1.324 1.00 0.00 C ATOM 552 CG ARG A 37 10.612 2.944 1.729 1.00 0.00 C ATOM 553 CD ARG A 37 12.089 3.323 1.856 1.00 0.00 C ATOM 554 NE ARG A 37 12.872 2.157 2.323 1.00 0.00 N ATOM 555 CZ ARG A 37 13.264 1.149 1.531 1.00 0.00 C ATOM 556 NH1 ARG A 37 12.948 1.159 0.228 1.00 0.00 N ATOM 557 NH2 ARG A 37 13.972 0.132 2.041 1.00 0.00 N ATOM 0 H ARG A 37 7.800 3.114 0.201 1.00 0.00 H new ATOM 0 HA ARG A 37 8.417 3.431 2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.674 4.190 0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.273 5.072 1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.252 2.546 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.498 2.153 0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.469 3.665 0.893 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.202 4.151 2.556 1.00 0.00 H new ATOM 0 HE ARG A 37 13.129 2.118 3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.410 1.933 -0.160 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.246 0.392 -0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.213 0.125 3.032 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.270 -0.635 1.438 1.00 0.00 H new ATOM 571 N GLU A 38 7.710 6.345 1.422 1.00 0.00 N ATOM 572 CA GLU A 38 7.307 7.713 1.698 1.00 0.00 C ATOM 573 C GLU A 38 6.042 7.731 2.558 1.00 0.00 C ATOM 574 O GLU A 38 5.831 8.658 3.339 1.00 0.00 O ATOM 575 CB GLU A 38 7.098 8.495 0.400 1.00 0.00 C ATOM 576 CG GLU A 38 8.376 9.231 -0.009 1.00 0.00 C ATOM 577 CD GLU A 38 8.601 10.466 0.866 1.00 0.00 C ATOM 578 OE1 GLU A 38 8.259 10.382 2.065 1.00 0.00 O ATOM 579 OE2 GLU A 38 9.109 11.467 0.315 1.00 0.00 O ATOM 0 H GLU A 38 7.773 6.111 0.431 1.00 0.00 H new ATOM 0 HA GLU A 38 8.107 8.202 2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.797 7.813 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.287 9.212 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.230 8.559 0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.309 9.529 -1.055 1.00 0.00 H new ATOM 586 N ARG A 39 5.234 6.695 2.387 1.00 0.00 N ATOM 587 CA ARG A 39 3.995 6.580 3.138 1.00 0.00 C ATOM 588 C ARG A 39 4.253 5.903 4.486 1.00 0.00 C ATOM 589 O ARG A 39 3.435 6.000 5.400 1.00 0.00 O ATOM 590 CB ARG A 39 2.953 5.773 2.362 1.00 0.00 C ATOM 591 CG ARG A 39 2.877 6.234 0.905 1.00 0.00 C ATOM 592 CD ARG A 39 1.440 6.591 0.517 1.00 0.00 C ATOM 593 NE ARG A 39 1.337 8.041 0.237 1.00 0.00 N ATOM 594 CZ ARG A 39 1.188 8.979 1.182 1.00 0.00 C ATOM 595 NH1 ARG A 39 1.124 8.627 2.473 1.00 0.00 N ATOM 596 NH2 ARG A 39 1.103 10.271 0.835 1.00 0.00 N ATOM 0 H ARG A 39 5.413 5.928 1.739 1.00 0.00 H new ATOM 0 HA ARG A 39 3.611 7.587 3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.207 4.714 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.977 5.884 2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.523 7.100 0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.249 5.446 0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.139 6.020 -0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.758 6.318 1.323 1.00 0.00 H new ATOM 0 HE ARG A 39 1.382 8.345 -0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.189 7.644 2.737 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.011 9.342 3.192 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.152 10.539 -0.148 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.990 10.986 1.554 1.00 0.00 H new ATOM 610 N GLY A 40 5.393 5.233 4.567 1.00 0.00 N ATOM 611 CA GLY A 40 5.769 4.541 5.788 1.00 0.00 C ATOM 612 C GLY A 40 5.319 3.079 5.750 1.00 0.00 C ATOM 613 O GLY A 40 5.442 2.362 6.742 1.00 0.00 O ATOM 0 H GLY A 40 6.069 5.155 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.850 4.589 5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.321 5.041 6.647 1.00 0.00 H new ATOM 617 N GLU A 41 4.808 2.680 4.595 1.00 0.00 N ATOM 618 CA GLU A 41 4.339 1.317 4.414 1.00 0.00 C ATOM 619 C GLU A 41 5.525 0.367 4.233 1.00 0.00 C ATOM 620 O GLU A 41 6.609 0.791 3.834 1.00 0.00 O ATOM 621 CB GLU A 41 3.374 1.221 3.231 1.00 0.00 C ATOM 622 CG GLU A 41 2.218 2.211 3.385 1.00 0.00 C ATOM 623 CD GLU A 41 1.017 1.550 4.065 1.00 0.00 C ATOM 624 OE1 GLU A 41 0.893 0.314 3.923 1.00 0.00 O ATOM 625 OE2 GLU A 41 0.250 2.295 4.712 1.00 0.00 O ATOM 0 H GLU A 41 4.708 3.277 3.774 1.00 0.00 H new ATOM 0 HA GLU A 41 3.794 1.020 5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.909 1.423 2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.982 0.207 3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.545 3.070 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.924 2.588 2.405 1.00 0.00 H new ATOM 632 N PRO A 42 5.273 -0.933 4.542 1.00 0.00 N ATOM 633 CA PRO A 42 6.308 -1.946 4.417 1.00 0.00 C ATOM 634 C PRO A 42 6.548 -2.306 2.950 1.00 0.00 C ATOM 635 O PRO A 42 5.651 -2.806 2.274 1.00 0.00 O ATOM 636 CB PRO A 42 5.809 -3.121 5.243 1.00 0.00 C ATOM 637 CG PRO A 42 4.315 -2.904 5.417 1.00 0.00 C ATOM 638 CD PRO A 42 4.002 -1.471 5.017 1.00 0.00 C ATOM 0 HA PRO A 42 7.278 -1.604 4.779 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.010 -4.066 4.739 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.313 -3.161 6.209 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.753 -3.604 4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.021 -3.085 6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.241 -1.435 4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.621 -0.898 5.862 1.00 0.00 H new ATOM 646 N ILE A 43 7.765 -2.037 2.500 1.00 0.00 N ATOM 647 CA ILE A 43 8.136 -2.326 1.125 1.00 0.00 C ATOM 648 C ILE A 43 7.779 -3.777 0.799 1.00 0.00 C ATOM 649 O ILE A 43 7.294 -4.072 -0.292 1.00 0.00 O ATOM 650 CB ILE A 43 9.608 -1.986 0.884 1.00 0.00 C ATOM 651 CG1 ILE A 43 10.517 -2.802 1.804 1.00 0.00 C ATOM 652 CG2 ILE A 43 9.853 -0.482 1.022 1.00 0.00 C ATOM 653 CD1 ILE A 43 11.971 -2.742 1.332 1.00 0.00 C ATOM 0 H ILE A 43 8.507 -1.622 3.064 1.00 0.00 H new ATOM 0 HA ILE A 43 7.571 -1.696 0.438 1.00 0.00 H new ATOM 0 HB ILE A 43 9.859 -2.260 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.446 -2.421 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.181 -3.839 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.907 -0.267 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.247 0.054 0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.580 -0.160 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.596 -3.330 2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.043 -3.146 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.312 -1.707 1.333 1.00 0.00 H new ATOM 665 N ARG A 44 8.032 -4.647 1.767 1.00 0.00 N ATOM 666 CA ARG A 44 7.743 -6.061 1.597 1.00 0.00 C ATOM 667 C ARG A 44 7.121 -6.632 2.872 1.00 0.00 C ATOM 668 O ARG A 44 7.768 -6.677 3.917 1.00 0.00 O ATOM 669 CB ARG A 44 9.013 -6.845 1.261 1.00 0.00 C ATOM 670 CG ARG A 44 8.719 -8.343 1.151 1.00 0.00 C ATOM 671 CD ARG A 44 7.764 -8.630 -0.010 1.00 0.00 C ATOM 672 NE ARG A 44 8.296 -9.732 -0.842 1.00 0.00 N ATOM 673 CZ ARG A 44 8.249 -11.025 -0.495 1.00 0.00 C ATOM 674 NH1 ARG A 44 7.695 -11.387 0.670 1.00 0.00 N ATOM 675 NH2 ARG A 44 8.757 -11.957 -1.313 1.00 0.00 N ATOM 0 H ARG A 44 8.434 -4.400 2.671 1.00 0.00 H new ATOM 0 HA ARG A 44 7.039 -6.160 0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.431 -6.483 0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.765 -6.674 2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.650 -8.890 1.005 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.282 -8.701 2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.780 -8.897 0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.637 -7.734 -0.617 1.00 0.00 H new ATOM 0 HE ARG A 44 8.725 -9.492 -1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.309 -10.678 1.293 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.659 -12.372 0.934 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.179 -11.682 -2.200 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.721 -12.942 -1.049 1.00 0.00 H new ATOM 689 N LEU A 45 5.871 -7.054 2.745 1.00 0.00 N ATOM 690 CA LEU A 45 5.154 -7.621 3.875 1.00 0.00 C ATOM 691 C LEU A 45 5.676 -9.033 4.148 1.00 0.00 C ATOM 692 O LEU A 45 6.679 -9.451 3.571 1.00 0.00 O ATOM 693 CB LEU A 45 3.644 -7.559 3.636 1.00 0.00 C ATOM 694 CG LEU A 45 2.933 -6.311 4.162 1.00 0.00 C ATOM 695 CD1 LEU A 45 1.712 -5.974 3.304 1.00 0.00 C ATOM 696 CD2 LEU A 45 2.568 -6.470 5.640 1.00 0.00 C ATOM 0 H LEU A 45 5.337 -7.015 1.877 1.00 0.00 H new ATOM 0 HA LEU A 45 5.336 -7.034 4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.463 -7.632 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.187 -8.435 4.097 1.00 0.00 H new ATOM 0 HG LEU A 45 3.621 -5.469 4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.224 -5.083 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.028 -5.789 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.012 -6.809 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.064 -5.569 5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.905 -7.327 5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.475 -6.628 6.224 1.00 0.00 H new ATOM 708 N PHE A 46 4.973 -9.730 5.029 1.00 0.00 N ATOM 709 CA PHE A 46 5.353 -11.086 5.386 1.00 0.00 C ATOM 710 C PHE A 46 4.643 -12.107 4.494 1.00 0.00 C ATOM 711 O PHE A 46 3.759 -12.828 4.953 1.00 0.00 O ATOM 712 CB PHE A 46 4.919 -11.305 6.837 1.00 0.00 C ATOM 713 CG PHE A 46 5.818 -12.265 7.617 1.00 0.00 C ATOM 714 CD1 PHE A 46 6.101 -13.495 7.110 1.00 0.00 C ATOM 715 CD2 PHE A 46 6.334 -11.890 8.818 1.00 0.00 C ATOM 716 CE1 PHE A 46 6.936 -14.387 7.834 1.00 0.00 C ATOM 717 CE2 PHE A 46 7.169 -12.781 9.542 1.00 0.00 C ATOM 718 CZ PHE A 46 7.452 -14.011 9.035 1.00 0.00 C ATOM 0 H PHE A 46 4.142 -9.381 5.506 1.00 0.00 H new ATOM 0 HA PHE A 46 6.428 -11.217 5.259 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.901 -10.343 7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.899 -11.690 6.846 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.691 -13.793 6.157 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.108 -10.914 9.221 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.161 -15.363 7.431 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.579 -12.482 10.495 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.087 -14.689 9.586 1.00 0.00 H new ATOM 728 N GLY A 47 5.058 -12.135 3.236 1.00 0.00 N ATOM 729 CA GLY A 47 4.473 -13.056 2.276 1.00 0.00 C ATOM 730 C GLY A 47 3.756 -12.298 1.157 1.00 0.00 C ATOM 731 O GLY A 47 2.585 -12.553 0.881 1.00 0.00 O ATOM 0 H GLY A 47 5.792 -11.535 2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.253 -13.688 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.769 -13.716 2.782 1.00 0.00 H new ATOM 735 N GLU A 48 4.490 -11.382 0.542 1.00 0.00 N ATOM 736 CA GLU A 48 3.938 -10.585 -0.541 1.00 0.00 C ATOM 737 C GLU A 48 4.763 -10.779 -1.815 1.00 0.00 C ATOM 738 O GLU A 48 5.869 -11.315 -1.768 1.00 0.00 O ATOM 739 CB GLU A 48 3.867 -9.107 -0.154 1.00 0.00 C ATOM 740 CG GLU A 48 2.435 -8.701 0.201 1.00 0.00 C ATOM 741 CD GLU A 48 2.243 -7.190 0.062 1.00 0.00 C ATOM 742 OE1 GLU A 48 3.167 -6.459 0.481 1.00 0.00 O ATOM 743 OE2 GLU A 48 1.177 -6.799 -0.461 1.00 0.00 O ATOM 0 H GLU A 48 5.462 -11.174 0.773 1.00 0.00 H new ATOM 0 HA GLU A 48 2.920 -10.925 -0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.523 -8.918 0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.229 -8.494 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.733 -9.222 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.209 -9.007 1.222 1.00 0.00 H new ATOM 750 N THR A 49 4.193 -10.332 -2.925 1.00 0.00 N ATOM 751 CA THR A 49 4.862 -10.450 -4.210 1.00 0.00 C ATOM 752 C THR A 49 4.855 -9.105 -4.939 1.00 0.00 C ATOM 753 O THR A 49 4.351 -8.113 -4.415 1.00 0.00 O ATOM 754 CB THR A 49 4.180 -11.571 -4.996 1.00 0.00 C ATOM 755 OG1 THR A 49 4.943 -11.667 -6.196 1.00 0.00 O ATOM 756 CG2 THR A 49 2.780 -11.183 -5.475 1.00 0.00 C ATOM 0 H THR A 49 3.276 -9.888 -2.961 1.00 0.00 H new ATOM 0 HA THR A 49 5.913 -10.712 -4.087 1.00 0.00 H new ATOM 0 HB THR A 49 4.116 -12.463 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.892 -11.771 -5.973 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.341 -12.014 -6.027 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.153 -10.948 -4.615 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.847 -10.311 -6.125 1.00 0.00 H new ATOM 764 N ASP A 50 5.421 -9.116 -6.137 1.00 0.00 N ATOM 765 CA ASP A 50 5.487 -7.909 -6.944 1.00 0.00 C ATOM 766 C ASP A 50 4.081 -7.323 -7.094 1.00 0.00 C ATOM 767 O ASP A 50 3.881 -6.124 -6.908 1.00 0.00 O ATOM 768 CB ASP A 50 6.025 -8.211 -8.344 1.00 0.00 C ATOM 769 CG ASP A 50 7.443 -7.706 -8.615 1.00 0.00 C ATOM 770 OD1 ASP A 50 7.816 -6.695 -7.982 1.00 0.00 O ATOM 771 OD2 ASP A 50 8.123 -8.342 -9.449 1.00 0.00 O ATOM 0 H ASP A 50 5.838 -9.941 -6.568 1.00 0.00 H new ATOM 0 HA ASP A 50 6.154 -7.206 -6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.004 -9.290 -8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.352 -7.769 -9.079 1.00 0.00 H new ATOM 776 N TYR A 51 3.143 -8.197 -7.428 1.00 0.00 N ATOM 777 CA TYR A 51 1.762 -7.782 -7.605 1.00 0.00 C ATOM 778 C TYR A 51 1.183 -7.233 -6.300 1.00 0.00 C ATOM 779 O TYR A 51 0.805 -6.065 -6.227 1.00 0.00 O ATOM 780 CB TYR A 51 0.990 -9.042 -8.001 1.00 0.00 C ATOM 781 CG TYR A 51 -0.370 -8.762 -8.644 1.00 0.00 C ATOM 782 CD1 TYR A 51 -0.468 -7.872 -9.693 1.00 0.00 C ATOM 783 CD2 TYR A 51 -1.500 -9.401 -8.173 1.00 0.00 C ATOM 784 CE1 TYR A 51 -1.748 -7.609 -10.298 1.00 0.00 C ATOM 785 CE2 TYR A 51 -2.780 -9.138 -8.777 1.00 0.00 C ATOM 786 CZ TYR A 51 -2.841 -8.255 -9.810 1.00 0.00 C ATOM 787 OH TYR A 51 -4.050 -8.006 -10.381 1.00 0.00 O ATOM 0 H TYR A 51 3.312 -9.191 -7.581 1.00 0.00 H new ATOM 0 HA TYR A 51 1.691 -6.995 -8.356 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.596 -9.624 -8.696 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.841 -9.658 -7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.416 -7.372 -10.061 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.423 -10.098 -7.352 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.838 -6.915 -11.120 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.672 -9.631 -8.418 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.740 -8.538 -9.932 1.00 0.00 H new ATOM 797 N ASP A 52 1.132 -8.102 -5.301 1.00 0.00 N ATOM 798 CA ASP A 52 0.605 -7.719 -4.002 1.00 0.00 C ATOM 799 C ASP A 52 1.226 -6.387 -3.578 1.00 0.00 C ATOM 800 O ASP A 52 0.512 -5.421 -3.312 1.00 0.00 O ATOM 801 CB ASP A 52 0.951 -8.762 -2.938 1.00 0.00 C ATOM 802 CG ASP A 52 -0.237 -9.270 -2.119 1.00 0.00 C ATOM 803 OD1 ASP A 52 -1.261 -8.553 -2.100 1.00 0.00 O ATOM 804 OD2 ASP A 52 -0.095 -10.364 -1.531 1.00 0.00 O ATOM 0 H ASP A 52 1.447 -9.070 -5.365 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.479 -7.638 -4.088 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.427 -9.613 -3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.686 -8.334 -2.257 1.00 0.00 H new ATOM 809 N ALA A 53 2.550 -6.377 -3.528 1.00 0.00 N ATOM 810 CA ALA A 53 3.275 -5.179 -3.140 1.00 0.00 C ATOM 811 C ALA A 53 2.789 -3.998 -3.983 1.00 0.00 C ATOM 812 O ALA A 53 2.445 -2.947 -3.446 1.00 0.00 O ATOM 813 CB ALA A 53 4.779 -5.421 -3.289 1.00 0.00 C ATOM 0 H ALA A 53 3.139 -7.179 -3.750 1.00 0.00 H new ATOM 0 HA ALA A 53 3.085 -4.938 -2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.323 -4.522 -2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.079 -6.250 -2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.008 -5.663 -4.327 1.00 0.00 H new ATOM 819 N PHE A 54 2.776 -4.212 -5.291 1.00 0.00 N ATOM 820 CA PHE A 54 2.338 -3.178 -6.214 1.00 0.00 C ATOM 821 C PHE A 54 0.893 -2.765 -5.928 1.00 0.00 C ATOM 822 O PHE A 54 0.635 -1.630 -5.530 1.00 0.00 O ATOM 823 CB PHE A 54 2.417 -3.773 -7.621 1.00 0.00 C ATOM 824 CG PHE A 54 1.702 -2.942 -8.689 1.00 0.00 C ATOM 825 CD1 PHE A 54 2.108 -1.669 -8.945 1.00 0.00 C ATOM 826 CD2 PHE A 54 0.660 -3.476 -9.381 1.00 0.00 C ATOM 827 CE1 PHE A 54 1.445 -0.898 -9.936 1.00 0.00 C ATOM 828 CE2 PHE A 54 -0.003 -2.705 -10.372 1.00 0.00 C ATOM 829 CZ PHE A 54 0.403 -1.432 -10.628 1.00 0.00 C ATOM 0 H PHE A 54 3.062 -5.086 -5.733 1.00 0.00 H new ATOM 0 HA PHE A 54 2.968 -2.294 -6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.465 -3.881 -7.900 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.986 -4.774 -7.606 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.935 -1.245 -8.394 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.337 -4.486 -9.177 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.768 0.112 -10.140 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.830 -3.129 -10.923 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.102 -0.845 -11.381 1.00 0.00 H new ATOM 839 N GLN A 55 -0.012 -3.709 -6.142 1.00 0.00 N ATOM 840 CA GLN A 55 -1.425 -3.457 -5.912 1.00 0.00 C ATOM 841 C GLN A 55 -1.619 -2.670 -4.615 1.00 0.00 C ATOM 842 O GLN A 55 -2.363 -1.690 -4.586 1.00 0.00 O ATOM 843 CB GLN A 55 -2.217 -4.766 -5.884 1.00 0.00 C ATOM 844 CG GLN A 55 -2.142 -5.482 -7.233 1.00 0.00 C ATOM 845 CD GLN A 55 -3.294 -5.056 -8.145 1.00 0.00 C ATOM 846 OE1 GLN A 55 -3.149 -4.220 -9.022 1.00 0.00 O ATOM 847 NE2 GLN A 55 -4.443 -5.675 -7.891 1.00 0.00 N ATOM 0 H GLN A 55 0.205 -4.649 -6.472 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.807 -2.857 -6.738 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.825 -5.416 -5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.258 -4.560 -5.635 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.190 -5.258 -7.715 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.175 -6.560 -7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.496 -6.365 -7.142 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.272 -5.460 -8.445 1.00 0.00 H new ATOM 856 N ARG A 56 -0.939 -3.127 -3.575 1.00 0.00 N ATOM 857 CA ARG A 56 -1.028 -2.477 -2.278 1.00 0.00 C ATOM 858 C ARG A 56 -0.876 -0.962 -2.432 1.00 0.00 C ATOM 859 O ARG A 56 -1.794 -0.208 -2.114 1.00 0.00 O ATOM 860 CB ARG A 56 0.052 -2.997 -1.327 1.00 0.00 C ATOM 861 CG ARG A 56 -0.327 -2.728 0.131 1.00 0.00 C ATOM 862 CD ARG A 56 0.332 -3.745 1.065 1.00 0.00 C ATOM 863 NE ARG A 56 -0.408 -5.026 1.022 1.00 0.00 N ATOM 864 CZ ARG A 56 -1.594 -5.229 1.612 1.00 0.00 C ATOM 865 NH1 ARG A 56 -2.181 -4.237 2.294 1.00 0.00 N ATOM 866 NH2 ARG A 56 -2.192 -6.424 1.520 1.00 0.00 N ATOM 0 H ARG A 56 -0.324 -3.940 -3.603 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.007 -2.706 -1.858 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.191 -4.067 -1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.004 -2.517 -1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.020 -1.720 0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.410 -2.774 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.369 -3.904 0.769 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.347 -3.359 2.084 1.00 0.00 H new ATOM 0 HE ARG A 56 0.011 -5.803 0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.725 -3.327 2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.084 -4.391 2.743 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.745 -7.180 1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.095 -6.578 1.969 1.00 0.00 H new ATOM 880 N LEU A 57 0.289 -0.563 -2.920 1.00 0.00 N ATOM 881 CA LEU A 57 0.573 0.848 -3.120 1.00 0.00 C ATOM 882 C LEU A 57 -0.417 1.424 -4.134 1.00 0.00 C ATOM 883 O LEU A 57 -1.052 2.445 -3.876 1.00 0.00 O ATOM 884 CB LEU A 57 2.039 1.050 -3.508 1.00 0.00 C ATOM 885 CG LEU A 57 2.438 2.473 -3.906 1.00 0.00 C ATOM 886 CD1 LEU A 57 2.134 2.735 -5.382 1.00 0.00 C ATOM 887 CD2 LEU A 57 1.773 3.504 -2.992 1.00 0.00 C ATOM 0 H LEU A 57 1.048 -1.192 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 57 0.435 1.400 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.662 0.740 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.269 0.383 -4.339 1.00 0.00 H new ATOM 0 HG LEU A 57 3.515 2.575 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.427 3.753 -5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.692 2.030 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.066 2.609 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.073 4.507 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.690 3.411 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.082 3.330 -1.961 1.00 0.00 H new ATOM 899 N ARG A 58 -0.517 0.744 -5.267 1.00 0.00 N ATOM 900 CA ARG A 58 -1.419 1.175 -6.322 1.00 0.00 C ATOM 901 C ARG A 58 -2.785 1.539 -5.736 1.00 0.00 C ATOM 902 O ARG A 58 -3.525 2.327 -6.322 1.00 0.00 O ATOM 903 CB ARG A 58 -1.598 0.080 -7.375 1.00 0.00 C ATOM 904 CG ARG A 58 -1.193 0.583 -8.763 1.00 0.00 C ATOM 905 CD ARG A 58 -2.017 1.808 -9.164 1.00 0.00 C ATOM 906 NE ARG A 58 -2.887 1.479 -10.315 1.00 0.00 N ATOM 907 CZ ARG A 58 -4.102 0.925 -10.203 1.00 0.00 C ATOM 908 NH1 ARG A 58 -4.598 0.636 -8.993 1.00 0.00 N ATOM 909 NH2 ARG A 58 -4.821 0.661 -11.303 1.00 0.00 N ATOM 0 H ARG A 58 0.012 -0.102 -5.477 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.979 2.051 -6.798 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.995 -0.788 -7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.638 -0.247 -7.392 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.133 0.836 -8.767 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.334 -0.211 -9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.624 2.139 -8.322 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.354 2.633 -9.423 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.540 1.687 -11.252 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.051 0.838 -8.156 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.523 0.214 -8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.443 0.882 -12.224 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.746 0.239 -11.219 1.00 0.00 H new ATOM 923 N LYS A 59 -3.077 0.947 -4.588 1.00 0.00 N ATOM 924 CA LYS A 59 -4.341 1.199 -3.916 1.00 0.00 C ATOM 925 C LYS A 59 -4.165 2.347 -2.920 1.00 0.00 C ATOM 926 O LYS A 59 -5.075 3.151 -2.728 1.00 0.00 O ATOM 927 CB LYS A 59 -4.878 -0.087 -3.284 1.00 0.00 C ATOM 928 CG LYS A 59 -5.942 0.223 -2.230 1.00 0.00 C ATOM 929 CD LYS A 59 -6.649 -1.054 -1.773 1.00 0.00 C ATOM 930 CE LYS A 59 -6.618 -1.183 -0.249 1.00 0.00 C ATOM 931 NZ LYS A 59 -6.735 -2.602 0.155 1.00 0.00 N ATOM 0 H LYS A 59 -2.460 0.293 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.098 1.514 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.303 -0.727 -4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.059 -0.641 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.479 0.713 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.672 0.921 -2.640 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.682 -1.046 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.168 -1.922 -2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.689 -0.764 0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.434 -0.606 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.712 -2.671 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.633 -2.991 -0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.942 -3.143 -0.245 1.00 0.00 H new ATOM 945 N ILE A 60 -2.988 2.386 -2.314 1.00 0.00 N ATOM 946 CA ILE A 60 -2.680 3.422 -1.342 1.00 0.00 C ATOM 947 C ILE A 60 -2.749 4.790 -2.023 1.00 0.00 C ATOM 948 O ILE A 60 -3.332 5.728 -1.481 1.00 0.00 O ATOM 949 CB ILE A 60 -1.338 3.139 -0.664 1.00 0.00 C ATOM 950 CG1 ILE A 60 -1.437 1.925 0.262 1.00 0.00 C ATOM 951 CG2 ILE A 60 -0.823 4.379 0.069 1.00 0.00 C ATOM 952 CD1 ILE A 60 -0.100 1.654 0.956 1.00 0.00 C ATOM 0 H ILE A 60 -2.236 1.717 -2.477 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.420 3.426 -0.542 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.609 2.895 -1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.211 2.096 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.737 1.049 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.132 4.151 0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.690 5.194 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.544 4.677 0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.198 0.786 1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.666 1.459 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.185 2.523 1.549 1.00 0.00 H new ATOM 964 N GLU A 61 -2.146 4.860 -3.201 1.00 0.00 N ATOM 965 CA GLU A 61 -2.132 6.098 -3.961 1.00 0.00 C ATOM 966 C GLU A 61 -3.558 6.615 -4.162 1.00 0.00 C ATOM 967 O GLU A 61 -3.796 7.821 -4.127 1.00 0.00 O ATOM 968 CB GLU A 61 -1.424 5.908 -5.304 1.00 0.00 C ATOM 969 CG GLU A 61 0.047 5.539 -5.101 1.00 0.00 C ATOM 970 CD GLU A 61 0.844 6.734 -4.573 1.00 0.00 C ATOM 971 OE1 GLU A 61 0.949 7.724 -5.328 1.00 0.00 O ATOM 972 OE2 GLU A 61 1.332 6.629 -3.427 1.00 0.00 O ATOM 0 H GLU A 61 -1.664 4.080 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.573 6.843 -3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.924 5.125 -5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.495 6.825 -5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.124 4.708 -4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.474 5.201 -6.045 1.00 0.00 H new ATOM 979 N ILE A 62 -4.470 5.676 -4.367 1.00 0.00 N ATOM 980 CA ILE A 62 -5.866 6.021 -4.573 1.00 0.00 C ATOM 981 C ILE A 62 -6.392 6.759 -3.341 1.00 0.00 C ATOM 982 O ILE A 62 -6.812 7.911 -3.435 1.00 0.00 O ATOM 983 CB ILE A 62 -6.678 4.776 -4.937 1.00 0.00 C ATOM 984 CG1 ILE A 62 -6.126 4.111 -6.200 1.00 0.00 C ATOM 985 CG2 ILE A 62 -8.165 5.110 -5.068 1.00 0.00 C ATOM 986 CD1 ILE A 62 -6.892 2.826 -6.522 1.00 0.00 C ATOM 0 H ILE A 62 -4.269 4.676 -4.395 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.969 6.700 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.581 4.055 -4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.198 4.802 -7.040 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.069 3.884 -6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.719 4.208 -5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.534 5.503 -4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.303 5.857 -5.849 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.480 2.373 -7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.798 2.128 -5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.944 3.060 -6.682 1.00 0.00 H new ATOM 998 N LEU A 63 -6.352 6.065 -2.213 1.00 0.00 N ATOM 999 CA LEU A 63 -6.819 6.640 -0.963 1.00 0.00 C ATOM 1000 C LEU A 63 -6.144 7.996 -0.747 1.00 0.00 C ATOM 1001 O LEU A 63 -6.818 9.022 -0.665 1.00 0.00 O ATOM 1002 CB LEU A 63 -6.608 5.658 0.191 1.00 0.00 C ATOM 1003 CG LEU A 63 -7.372 4.335 0.094 1.00 0.00 C ATOM 1004 CD1 LEU A 63 -6.649 3.227 0.862 1.00 0.00 C ATOM 1005 CD2 LEU A 63 -8.820 4.503 0.557 1.00 0.00 C ATOM 0 H LEU A 63 -6.003 5.109 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.893 6.821 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.543 5.436 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.893 6.152 1.120 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.402 4.034 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.213 2.298 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.652 3.086 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.567 3.506 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.340 3.548 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.834 4.839 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.319 5.241 -0.070 1.00 0.00 H new ATOM 1017 N THR A 64 -4.823 7.957 -0.662 1.00 0.00 N ATOM 1018 CA THR A 64 -4.050 9.170 -0.457 1.00 0.00 C ATOM 1019 C THR A 64 -2.966 9.299 -1.529 1.00 0.00 C ATOM 1020 O THR A 64 -2.027 8.505 -1.566 1.00 0.00 O ATOM 1021 CB THR A 64 -3.494 9.142 0.968 1.00 0.00 C ATOM 1022 OG1 THR A 64 -4.644 9.312 1.792 1.00 0.00 O ATOM 1023 CG2 THR A 64 -2.626 10.362 1.282 1.00 0.00 C ATOM 0 H THR A 64 -4.268 7.104 -0.731 1.00 0.00 H new ATOM 0 HA THR A 64 -4.674 10.058 -0.561 1.00 0.00 H new ATOM 0 HB THR A 64 -2.908 8.234 1.112 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.375 9.304 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.257 10.292 2.305 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.782 10.395 0.593 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.220 11.269 1.172 1.00 0.00 H new ATOM 1031 N PRO A 65 -3.136 10.331 -2.398 1.00 0.00 N ATOM 1032 CA PRO A 65 -2.184 10.574 -3.468 1.00 0.00 C ATOM 1033 C PRO A 65 -0.897 11.198 -2.925 1.00 0.00 C ATOM 1034 O PRO A 65 -0.637 11.147 -1.724 1.00 0.00 O ATOM 1035 CB PRO A 65 -2.915 11.478 -4.447 1.00 0.00 C ATOM 1036 CG PRO A 65 -4.074 12.083 -3.672 1.00 0.00 C ATOM 1037 CD PRO A 65 -4.236 11.291 -2.384 1.00 0.00 C ATOM 0 HA PRO A 65 -1.860 9.657 -3.959 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.253 12.255 -4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.273 10.913 -5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.880 13.133 -3.453 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.990 12.044 -4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.183 11.941 -1.510 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.201 10.786 -2.348 1.00 0.00 H new ATOM 1045 N GLU A 66 -0.125 11.772 -3.836 1.00 0.00 N ATOM 1046 CA GLU A 66 1.128 12.406 -3.464 1.00 0.00 C ATOM 1047 C GLU A 66 1.029 13.922 -3.638 1.00 0.00 C ATOM 1048 O GLU A 66 0.777 14.409 -4.739 1.00 0.00 O ATOM 1049 CB GLU A 66 2.293 11.835 -4.276 1.00 0.00 C ATOM 1050 CG GLU A 66 2.932 10.646 -3.557 1.00 0.00 C ATOM 1051 CD GLU A 66 4.316 11.011 -3.015 1.00 0.00 C ATOM 1052 OE1 GLU A 66 4.354 11.666 -1.951 1.00 0.00 O ATOM 1053 OE2 GLU A 66 5.304 10.628 -3.677 1.00 0.00 O ATOM 0 H GLU A 66 -0.343 11.811 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 66 1.322 12.194 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.938 11.522 -5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.041 12.610 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.290 10.325 -2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.017 9.804 -4.244 1.00 0.00 H new ATOM 1060 N VAL A 67 1.233 14.627 -2.535 1.00 0.00 N ATOM 1061 CA VAL A 67 1.170 16.079 -2.552 1.00 0.00 C ATOM 1062 C VAL A 67 2.153 16.616 -3.593 1.00 0.00 C ATOM 1063 O VAL A 67 1.757 17.313 -4.525 1.00 0.00 O ATOM 1064 CB VAL A 67 1.426 16.630 -1.148 1.00 0.00 C ATOM 1065 CG1 VAL A 67 1.619 18.148 -1.181 1.00 0.00 C ATOM 1066 CG2 VAL A 67 0.296 16.242 -0.192 1.00 0.00 C ATOM 0 H VAL A 67 1.442 14.220 -1.623 1.00 0.00 H new ATOM 0 HA VAL A 67 0.174 16.415 -2.842 1.00 0.00 H new ATOM 0 HB VAL A 67 2.348 16.183 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.799 18.514 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.473 18.393 -1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.723 18.620 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.503 16.646 0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.647 16.647 -0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.226 15.156 -0.133 1.00 0.00 H new ATOM 1076 N ASN A 68 3.418 16.270 -3.400 1.00 0.00 N ATOM 1077 CA ASN A 68 4.461 16.708 -4.312 1.00 0.00 C ATOM 1078 C ASN A 68 5.750 15.940 -4.012 1.00 0.00 C ATOM 1079 O ASN A 68 6.050 15.652 -2.854 1.00 0.00 O ATOM 1080 CB ASN A 68 4.750 18.201 -4.141 1.00 0.00 C ATOM 1081 CG ASN A 68 4.138 19.012 -5.286 1.00 0.00 C ATOM 1082 OD1 ASN A 68 3.716 18.482 -6.300 1.00 0.00 O ATOM 1083 ND2 ASN A 68 4.116 20.324 -5.068 1.00 0.00 N ATOM 0 H ASN A 68 3.744 15.692 -2.626 1.00 0.00 H new ATOM 0 HA ASN A 68 4.120 16.520 -5.330 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.346 18.547 -3.189 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.827 18.365 -4.109 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.729 20.952 -5.773 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.486 20.702 -4.196 1.00 0.00 H new ATOM 1090 N LYS A 69 6.478 15.632 -5.075 1.00 0.00 N ATOM 1091 CA LYS A 69 7.728 14.903 -4.940 1.00 0.00 C ATOM 1092 C LYS A 69 8.756 15.788 -4.233 1.00 0.00 C ATOM 1093 O LYS A 69 8.826 16.989 -4.488 1.00 0.00 O ATOM 1094 CB LYS A 69 8.195 14.385 -6.302 1.00 0.00 C ATOM 1095 CG LYS A 69 9.265 13.302 -6.139 1.00 0.00 C ATOM 1096 CD LYS A 69 10.667 13.914 -6.125 1.00 0.00 C ATOM 1097 CE LYS A 69 11.074 14.382 -7.523 1.00 0.00 C ATOM 1098 NZ LYS A 69 12.547 14.494 -7.624 1.00 0.00 N ATOM 0 H LYS A 69 6.226 15.874 -6.033 1.00 0.00 H new ATOM 0 HA LYS A 69 7.588 14.018 -4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.345 13.982 -6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.594 15.210 -6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.094 12.754 -5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.186 12.583 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.693 14.756 -5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.385 13.179 -5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.705 13.679 -8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.614 15.347 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.806 14.813 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.892 15.182 -6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.979 13.566 -7.440 1.00 0.00 H new ATOM 1112 N GLY A 70 9.528 15.161 -3.358 1.00 0.00 N ATOM 1113 CA GLY A 70 10.549 15.876 -2.612 1.00 0.00 C ATOM 1114 C GLY A 70 10.370 15.674 -1.106 1.00 0.00 C ATOM 1115 O GLY A 70 10.718 14.622 -0.572 1.00 0.00 O ATOM 0 H GLY A 70 9.467 14.165 -3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.537 15.528 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.500 16.939 -2.848 1.00 0.00 H new ATOM 1119 N SER A 71 9.829 16.699 -0.463 1.00 0.00 N ATOM 1120 CA SER A 71 9.600 16.647 0.971 1.00 0.00 C ATOM 1121 C SER A 71 8.100 16.709 1.264 1.00 0.00 C ATOM 1122 O SER A 71 7.551 15.813 1.903 1.00 0.00 O ATOM 1123 CB SER A 71 10.329 17.786 1.686 1.00 0.00 C ATOM 1124 OG SER A 71 11.740 17.591 1.700 1.00 0.00 O ATOM 0 H SER A 71 9.543 17.570 -0.909 1.00 0.00 H new ATOM 0 HA SER A 71 9.998 15.705 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.098 18.730 1.193 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.964 17.864 2.710 1.00 0.00 H new ATOM 0 HG SER A 71 12.169 18.340 2.164 1.00 0.00 H new ATOM 1130 N GLY A 72 7.479 17.776 0.782 1.00 0.00 N ATOM 1131 CA GLY A 72 6.053 17.967 0.985 1.00 0.00 C ATOM 1132 C GLY A 72 5.681 19.449 0.903 1.00 0.00 C ATOM 1133 O GLY A 72 6.431 20.251 0.349 1.00 0.00 O ATOM 0 H GLY A 72 7.937 18.517 0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.497 17.407 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.764 17.569 1.958 1.00 0.00 H new ATOM 1137 N PRO A 73 4.493 19.776 1.478 1.00 0.00 N ATOM 1138 CA PRO A 73 4.013 21.148 1.475 1.00 0.00 C ATOM 1139 C PRO A 73 4.778 21.998 2.491 1.00 0.00 C ATOM 1140 O PRO A 73 5.321 23.046 2.145 1.00 0.00 O ATOM 1141 CB PRO A 73 2.528 21.045 1.784 1.00 0.00 C ATOM 1142 CG PRO A 73 2.325 19.672 2.405 1.00 0.00 C ATOM 1143 CD PRO A 73 3.579 18.853 2.143 1.00 0.00 C ATOM 0 HA PRO A 73 4.174 21.649 0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.216 21.833 2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.932 21.156 0.878 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.143 19.760 3.476 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.452 19.183 1.973 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.005 18.474 3.072 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.363 17.988 1.515 1.00 0.00 H new ATOM 1151 N SER A 74 4.796 21.516 3.725 1.00 0.00 N ATOM 1152 CA SER A 74 5.485 22.219 4.793 1.00 0.00 C ATOM 1153 C SER A 74 6.305 21.231 5.626 1.00 0.00 C ATOM 1154 O SER A 74 5.956 20.055 5.721 1.00 0.00 O ATOM 1155 CB SER A 74 4.496 22.973 5.684 1.00 0.00 C ATOM 1156 OG SER A 74 5.156 23.863 6.580 1.00 0.00 O ATOM 0 H SER A 74 4.344 20.647 4.009 1.00 0.00 H new ATOM 0 HA SER A 74 6.157 22.950 4.344 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.802 23.536 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.904 22.258 6.254 1.00 0.00 H new ATOM 0 HG SER A 74 4.490 24.327 7.130 1.00 0.00 H new ATOM 1162 N SER A 75 7.378 21.745 6.208 1.00 0.00 N ATOM 1163 CA SER A 75 8.250 20.923 7.030 1.00 0.00 C ATOM 1164 C SER A 75 7.530 20.524 8.320 1.00 0.00 C ATOM 1165 O SER A 75 7.138 21.384 9.108 1.00 0.00 O ATOM 1166 CB SER A 75 9.553 21.656 7.355 1.00 0.00 C ATOM 1167 OG SER A 75 9.317 22.916 7.975 1.00 0.00 O ATOM 0 H SER A 75 7.664 22.721 6.127 1.00 0.00 H new ATOM 0 HA SER A 75 8.501 20.023 6.468 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.163 21.037 8.013 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.124 21.804 6.438 1.00 0.00 H new ATOM 0 HG SER A 75 8.529 22.853 8.554 1.00 0.00 H new ATOM 1173 N GLY A 76 7.377 19.220 8.496 1.00 0.00 N ATOM 1174 CA GLY A 76 6.711 18.697 9.677 1.00 0.00 C ATOM 1175 C GLY A 76 5.937 17.418 9.349 1.00 0.00 C ATOM 1176 O GLY A 76 5.759 16.559 10.210 1.00 0.00 O ATOM 0 H GLY A 76 7.703 18.510 7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.448 18.491 10.453 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.028 19.447 10.076 1.00 0.00 H new TER 1180 GLY A 76