USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 716 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 44 LYS NZ :NH3+ 166:sc= 1.42 (180deg=0.733) USER MOD Set 1.2: A 77 TYR OH : rot -130:sc= 0.607 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 32:sc= 0.69 USER MOD Single : A 13 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 17 ASN : amide:sc= -1.64! K(o=-1.6!,f=0.056) USER MOD Single : A 18 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 71:sc= 0.658 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.098) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 63 THR OG1 : rot -3:sc= 0.638 USER MOD Single : A 65 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.52) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 96:sc= 0.435 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -80:sc= 0.0176 USER MOD Single : A 83 SER OG : rot 135:sc= 0.165 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 140:sc= 0.0166 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc=-0.00112 USER MOD Single : A 97 THR OG1 : rot 31:sc= -1.98! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.980 21.507 -0.377 1.00 0.00 N ATOM 2 CA GLY A 1 22.014 20.312 0.447 1.00 0.00 C ATOM 3 C GLY A 1 20.634 19.736 0.690 1.00 0.00 C ATOM 4 O GLY A 1 19.734 20.437 1.152 1.00 0.00 O ATOM 0 H1 GLY A 1 22.948 21.862 -0.514 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.561 21.280 -1.301 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.407 22.237 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.639 19.560 -0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.480 20.547 1.404 1.00 0.00 H new ATOM 8 N SER A 2 20.466 18.455 0.378 1.00 0.00 N ATOM 9 CA SER A 2 19.183 17.786 0.560 1.00 0.00 C ATOM 10 C SER A 2 18.786 17.764 2.033 1.00 0.00 C ATOM 11 O SER A 2 17.665 18.124 2.391 1.00 0.00 O ATOM 12 CB SER A 2 19.247 16.357 0.016 1.00 0.00 C ATOM 13 OG SER A 2 19.101 16.341 -1.393 1.00 0.00 O ATOM 0 H SER A 2 21.202 17.860 -0.002 1.00 0.00 H new ATOM 0 HA SER A 2 18.428 18.345 0.006 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.198 15.902 0.291 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.462 15.755 0.473 1.00 0.00 H new ATOM 0 HG SER A 2 19.147 15.417 -1.716 1.00 0.00 H new ATOM 19 N SER A 3 19.715 17.338 2.883 1.00 0.00 N ATOM 20 CA SER A 3 19.463 17.265 4.318 1.00 0.00 C ATOM 21 C SER A 3 19.533 18.650 4.953 1.00 0.00 C ATOM 22 O SER A 3 20.381 19.467 4.596 1.00 0.00 O ATOM 23 CB SER A 3 20.473 16.331 4.988 1.00 0.00 C ATOM 24 OG SER A 3 19.992 15.874 6.240 1.00 0.00 O ATOM 0 H SER A 3 20.649 17.038 2.603 1.00 0.00 H new ATOM 0 HA SER A 3 18.459 16.868 4.466 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.672 15.479 4.338 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.420 16.853 5.127 1.00 0.00 H new ATOM 0 HG SER A 3 20.655 15.278 6.647 1.00 0.00 H new ATOM 30 N GLY A 4 18.635 18.907 5.899 1.00 0.00 N ATOM 31 CA GLY A 4 18.612 20.194 6.570 1.00 0.00 C ATOM 32 C GLY A 4 17.300 20.927 6.372 1.00 0.00 C ATOM 33 O GLY A 4 16.277 20.547 6.941 1.00 0.00 O ATOM 0 H GLY A 4 17.923 18.247 6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.786 20.048 7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.429 20.810 6.195 1.00 0.00 H new ATOM 37 N SER A 5 17.329 21.981 5.563 1.00 0.00 N ATOM 38 CA SER A 5 16.135 22.773 5.296 1.00 0.00 C ATOM 39 C SER A 5 14.990 21.886 4.816 1.00 0.00 C ATOM 40 O SER A 5 15.205 20.916 4.089 1.00 0.00 O ATOM 41 CB SER A 5 16.433 23.849 4.250 1.00 0.00 C ATOM 42 OG SER A 5 15.522 24.929 4.355 1.00 0.00 O ATOM 0 H SER A 5 18.167 22.306 5.081 1.00 0.00 H new ATOM 0 HA SER A 5 15.834 23.254 6.227 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.452 24.215 4.380 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.375 23.416 3.251 1.00 0.00 H new ATOM 0 HG SER A 5 15.735 25.604 3.677 1.00 0.00 H new ATOM 48 N SER A 6 13.773 22.224 5.229 1.00 0.00 N ATOM 49 CA SER A 6 12.594 21.457 4.846 1.00 0.00 C ATOM 50 C SER A 6 12.549 21.250 3.335 1.00 0.00 C ATOM 51 O SER A 6 12.474 22.209 2.568 1.00 0.00 O ATOM 52 CB SER A 6 11.323 22.167 5.313 1.00 0.00 C ATOM 53 OG SER A 6 11.135 23.387 4.618 1.00 0.00 O ATOM 0 H SER A 6 13.578 23.025 5.830 1.00 0.00 H new ATOM 0 HA SER A 6 12.653 20.481 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.461 21.518 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.384 22.361 6.384 1.00 0.00 H new ATOM 0 HG SER A 6 11.499 23.306 3.712 1.00 0.00 H new ATOM 59 N GLY A 7 12.594 19.990 2.914 1.00 0.00 N ATOM 60 CA GLY A 7 12.557 19.679 1.497 1.00 0.00 C ATOM 61 C GLY A 7 11.325 18.885 1.110 1.00 0.00 C ATOM 62 O GLY A 7 10.306 18.904 1.801 1.00 0.00 O ATOM 0 H GLY A 7 12.655 19.179 3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.583 20.606 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.449 19.113 1.229 1.00 0.00 H new ATOM 66 N PRO A 8 11.409 18.170 -0.022 1.00 0.00 N ATOM 67 CA PRO A 8 10.300 17.354 -0.526 1.00 0.00 C ATOM 68 C PRO A 8 10.038 16.130 0.344 1.00 0.00 C ATOM 69 O PRO A 8 10.833 15.776 1.215 1.00 0.00 O ATOM 70 CB PRO A 8 10.777 16.929 -1.917 1.00 0.00 C ATOM 71 CG PRO A 8 12.264 16.978 -1.839 1.00 0.00 C ATOM 72 CD PRO A 8 12.592 18.102 -0.895 1.00 0.00 C ATOM 0 HA PRO A 8 9.359 17.904 -0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.426 15.928 -2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.399 17.601 -2.688 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.667 16.033 -1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.701 17.154 -2.822 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.500 17.898 -0.327 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.753 19.040 -1.427 1.00 0.00 H new ATOM 80 N PRO A 9 8.897 15.467 0.106 1.00 0.00 N ATOM 81 CA PRO A 9 8.505 14.271 0.858 1.00 0.00 C ATOM 82 C PRO A 9 9.385 13.069 0.536 1.00 0.00 C ATOM 83 O PRO A 9 9.750 12.847 -0.619 1.00 0.00 O ATOM 84 CB PRO A 9 7.067 14.019 0.398 1.00 0.00 C ATOM 85 CG PRO A 9 6.987 14.640 -0.954 1.00 0.00 C ATOM 86 CD PRO A 9 7.902 15.832 -0.916 1.00 0.00 C ATOM 0 HA PRO A 9 8.604 14.415 1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.846 12.953 0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.348 14.468 1.083 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.296 13.935 -1.726 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.965 14.940 -1.186 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.368 16.011 -1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.365 16.742 -0.647 1.00 0.00 H new ATOM 94 N ILE A 10 9.723 12.296 1.563 1.00 0.00 N ATOM 95 CA ILE A 10 10.560 11.116 1.388 1.00 0.00 C ATOM 96 C ILE A 10 10.001 9.926 2.162 1.00 0.00 C ATOM 97 O ILE A 10 9.794 10.003 3.373 1.00 0.00 O ATOM 98 CB ILE A 10 12.007 11.378 1.845 1.00 0.00 C ATOM 99 CG1 ILE A 10 12.618 12.529 1.043 1.00 0.00 C ATOM 100 CG2 ILE A 10 12.846 10.118 1.697 1.00 0.00 C ATOM 101 CD1 ILE A 10 13.841 13.136 1.693 1.00 0.00 C ATOM 0 H ILE A 10 9.430 12.466 2.525 1.00 0.00 H new ATOM 0 HA ILE A 10 10.561 10.886 0.323 1.00 0.00 H new ATOM 0 HB ILE A 10 11.994 11.660 2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.886 12.167 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.866 13.306 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.866 10.320 2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.419 9.323 2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.855 9.807 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.221 13.945 1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.575 13.528 2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.611 12.372 1.804 1.00 0.00 H new ATOM 113 N ILE A 11 9.762 8.827 1.454 1.00 0.00 N ATOM 114 CA ILE A 11 9.231 7.620 2.076 1.00 0.00 C ATOM 115 C ILE A 11 10.306 6.896 2.878 1.00 0.00 C ATOM 116 O ILE A 11 11.080 6.108 2.331 1.00 0.00 O ATOM 117 CB ILE A 11 8.652 6.654 1.025 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.439 7.283 0.336 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.272 5.332 1.674 1.00 0.00 C ATOM 120 CD1 ILE A 11 6.923 6.476 -0.834 1.00 0.00 C ATOM 0 H ILE A 11 9.927 8.747 0.451 1.00 0.00 H new ATOM 0 HA ILE A 11 8.432 7.936 2.747 1.00 0.00 H new ATOM 0 HB ILE A 11 9.415 6.461 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.638 7.402 1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.706 8.281 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.864 4.660 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.156 4.880 2.123 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.523 5.508 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.063 6.981 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.709 6.378 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.625 5.486 -0.490 1.00 0.00 H new ATOM 132 N LEU A 12 10.349 7.165 4.178 1.00 0.00 N ATOM 133 CA LEU A 12 11.329 6.537 5.058 1.00 0.00 C ATOM 134 C LEU A 12 11.344 5.024 4.864 1.00 0.00 C ATOM 135 O LEU A 12 12.407 4.404 4.834 1.00 0.00 O ATOM 136 CB LEU A 12 11.021 6.873 6.518 1.00 0.00 C ATOM 137 CG LEU A 12 11.260 8.324 6.938 1.00 0.00 C ATOM 138 CD1 LEU A 12 10.742 8.564 8.347 1.00 0.00 C ATOM 139 CD2 LEU A 12 12.740 8.668 6.847 1.00 0.00 C ATOM 0 H LEU A 12 9.717 7.814 4.647 1.00 0.00 H new ATOM 0 HA LEU A 12 12.314 6.927 4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.978 6.626 6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.626 6.227 7.154 1.00 0.00 H new ATOM 0 HG LEU A 12 10.713 8.975 6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.921 9.602 8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.672 8.358 8.381 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.261 7.905 9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.892 9.704 7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.307 8.011 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.082 8.536 5.820 1.00 0.00 H new ATOM 151 N GLN A 13 10.159 4.438 4.731 1.00 0.00 N ATOM 152 CA GLN A 13 10.037 2.998 4.539 1.00 0.00 C ATOM 153 C GLN A 13 8.758 2.656 3.781 1.00 0.00 C ATOM 154 O GLN A 13 7.661 2.728 4.332 1.00 0.00 O ATOM 155 CB GLN A 13 10.052 2.278 5.888 1.00 0.00 C ATOM 156 CG GLN A 13 9.719 0.798 5.793 1.00 0.00 C ATOM 157 CD GLN A 13 10.787 0.006 5.064 1.00 0.00 C ATOM 158 OE1 GLN A 13 11.867 -0.241 5.601 1.00 0.00 O ATOM 159 NE2 GLN A 13 10.490 -0.397 3.834 1.00 0.00 N ATOM 0 H GLN A 13 9.270 4.938 4.753 1.00 0.00 H new ATOM 0 HA GLN A 13 10.889 2.663 3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.037 2.392 6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.338 2.760 6.555 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.593 0.393 6.797 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.766 0.676 5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.582 -0.170 3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.170 -0.934 3.295 1.00 0.00 H new ATOM 168 N GLY A 14 8.909 2.285 2.513 1.00 0.00 N ATOM 169 CA GLY A 14 7.757 1.938 1.700 1.00 0.00 C ATOM 170 C GLY A 14 7.415 0.464 1.778 1.00 0.00 C ATOM 171 O GLY A 14 7.967 -0.281 2.589 1.00 0.00 O ATOM 0 H GLY A 14 9.807 2.219 2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.898 2.525 2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.954 2.208 0.662 1.00 0.00 H new ATOM 175 N PRO A 15 6.483 0.022 0.921 1.00 0.00 N ATOM 176 CA PRO A 15 6.046 -1.376 0.878 1.00 0.00 C ATOM 177 C PRO A 15 7.126 -2.305 0.333 1.00 0.00 C ATOM 178 O PRO A 15 8.259 -1.885 0.102 1.00 0.00 O ATOM 179 CB PRO A 15 4.843 -1.343 -0.068 1.00 0.00 C ATOM 180 CG PRO A 15 5.074 -0.153 -0.934 1.00 0.00 C ATOM 181 CD PRO A 15 5.783 0.855 -0.072 1.00 0.00 C ATOM 0 HA PRO A 15 5.815 -1.761 1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.779 -2.256 -0.659 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.907 -1.255 0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.676 -0.415 -1.804 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.131 0.247 -1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.480 1.460 -0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.082 1.542 0.402 1.00 0.00 H new ATOM 189 N ALA A 16 6.767 -3.568 0.130 1.00 0.00 N ATOM 190 CA ALA A 16 7.705 -4.554 -0.390 1.00 0.00 C ATOM 191 C ALA A 16 6.970 -5.755 -0.978 1.00 0.00 C ATOM 192 O ALA A 16 5.795 -5.977 -0.689 1.00 0.00 O ATOM 193 CB ALA A 16 8.661 -5.003 0.706 1.00 0.00 C ATOM 0 H ALA A 16 5.833 -3.932 0.318 1.00 0.00 H new ATOM 0 HA ALA A 16 8.280 -4.086 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.356 -5.740 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.218 -4.143 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.094 -5.448 1.524 1.00 0.00 H new ATOM 199 N ASN A 17 7.670 -6.525 -1.805 1.00 0.00 N ATOM 200 CA ASN A 17 7.083 -7.702 -2.434 1.00 0.00 C ATOM 201 C ASN A 17 6.758 -8.770 -1.394 1.00 0.00 C ATOM 202 O ASN A 17 7.653 -9.438 -0.877 1.00 0.00 O ATOM 203 CB ASN A 17 8.036 -8.272 -3.486 1.00 0.00 C ATOM 204 CG ASN A 17 9.482 -8.248 -3.030 1.00 0.00 C ATOM 205 OD1 ASN A 17 9.999 -9.241 -2.516 1.00 0.00 O ATOM 206 ND2 ASN A 17 10.142 -7.112 -3.217 1.00 0.00 N ATOM 0 H ASN A 17 8.644 -6.355 -2.055 1.00 0.00 H new ATOM 0 HA ASN A 17 6.155 -7.399 -2.920 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.747 -9.298 -3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.939 -7.699 -4.408 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.118 -7.036 -2.931 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.673 -6.315 -3.647 1.00 0.00 H new ATOM 213 N GLN A 18 5.473 -8.925 -1.094 1.00 0.00 N ATOM 214 CA GLN A 18 5.031 -9.911 -0.116 1.00 0.00 C ATOM 215 C GLN A 18 4.107 -10.940 -0.760 1.00 0.00 C ATOM 216 O GLN A 18 3.249 -10.598 -1.574 1.00 0.00 O ATOM 217 CB GLN A 18 4.314 -9.222 1.047 1.00 0.00 C ATOM 218 CG GLN A 18 3.338 -8.144 0.606 1.00 0.00 C ATOM 219 CD GLN A 18 2.846 -7.294 1.761 1.00 0.00 C ATOM 220 OE1 GLN A 18 2.273 -7.805 2.724 1.00 0.00 O ATOM 221 NE2 GLN A 18 3.069 -5.988 1.673 1.00 0.00 N ATOM 0 H GLN A 18 4.720 -8.380 -1.514 1.00 0.00 H new ATOM 0 HA GLN A 18 5.912 -10.428 0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.776 -9.972 1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.057 -8.779 1.710 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.820 -7.503 -0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.485 -8.611 0.114 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.548 -5.606 0.857 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.762 -5.367 2.421 1.00 0.00 H new ATOM 230 N THR A 19 4.289 -12.205 -0.390 1.00 0.00 N ATOM 231 CA THR A 19 3.474 -13.284 -0.933 1.00 0.00 C ATOM 232 C THR A 19 2.441 -13.757 0.083 1.00 0.00 C ATOM 233 O THR A 19 2.731 -14.598 0.934 1.00 0.00 O ATOM 234 CB THR A 19 4.342 -14.483 -1.361 1.00 0.00 C ATOM 235 OG1 THR A 19 5.231 -14.093 -2.414 1.00 0.00 O ATOM 236 CG2 THR A 19 3.473 -15.641 -1.826 1.00 0.00 C ATOM 0 H THR A 19 4.994 -12.506 0.283 1.00 0.00 H new ATOM 0 HA THR A 19 2.963 -12.884 -1.808 1.00 0.00 H new ATOM 0 HB THR A 19 4.923 -14.810 -0.498 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.780 -14.860 -2.679 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.108 -16.476 -2.123 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.819 -15.954 -1.013 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.869 -15.324 -2.676 1.00 0.00 H new ATOM 244 N LEU A 20 1.233 -13.211 -0.012 1.00 0.00 N ATOM 245 CA LEU A 20 0.154 -13.578 0.900 1.00 0.00 C ATOM 246 C LEU A 20 -0.713 -14.681 0.301 1.00 0.00 C ATOM 247 O LEU A 20 -0.449 -15.163 -0.800 1.00 0.00 O ATOM 248 CB LEU A 20 -0.706 -12.355 1.222 1.00 0.00 C ATOM 249 CG LEU A 20 0.023 -11.169 1.856 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.846 -9.922 1.810 1.00 0.00 C ATOM 251 CD2 LEU A 20 0.420 -11.493 3.289 1.00 0.00 C ATOM 0 H LEU A 20 0.976 -12.513 -0.710 1.00 0.00 H new ATOM 0 HA LEU A 20 0.601 -13.952 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.178 -12.015 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.506 -12.665 1.894 1.00 0.00 H new ATOM 0 HG LEU A 20 0.930 -10.975 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.311 -9.089 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.080 -9.680 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.771 -10.102 2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.938 -10.639 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.474 -11.713 3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.081 -12.360 3.296 1.00 0.00 H new ATOM 263 N ALA A 21 -1.751 -15.073 1.033 1.00 0.00 N ATOM 264 CA ALA A 21 -2.660 -16.115 0.572 1.00 0.00 C ATOM 265 C ALA A 21 -4.095 -15.604 0.512 1.00 0.00 C ATOM 266 O ALA A 21 -4.588 -14.993 1.460 1.00 0.00 O ATOM 267 CB ALA A 21 -2.569 -17.333 1.480 1.00 0.00 C ATOM 0 H ALA A 21 -1.983 -14.685 1.947 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.362 -16.403 -0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.253 -18.104 1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.550 -17.719 1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.839 -17.049 2.497 1.00 0.00 H new ATOM 273 N VAL A 22 -4.762 -15.858 -0.610 1.00 0.00 N ATOM 274 CA VAL A 22 -6.142 -15.424 -0.794 1.00 0.00 C ATOM 275 C VAL A 22 -6.910 -15.460 0.522 1.00 0.00 C ATOM 276 O VAL A 22 -6.696 -16.343 1.353 1.00 0.00 O ATOM 277 CB VAL A 22 -6.873 -16.302 -1.827 1.00 0.00 C ATOM 278 CG1 VAL A 22 -8.367 -16.016 -1.809 1.00 0.00 C ATOM 279 CG2 VAL A 22 -6.297 -16.080 -3.217 1.00 0.00 C ATOM 0 H VAL A 22 -4.369 -16.362 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.105 -14.398 -1.161 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.724 -17.348 -1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.867 -16.645 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.766 -16.230 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.540 -14.967 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.825 -16.708 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.414 -15.033 -3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.238 -16.340 -3.218 1.00 0.00 H new ATOM 289 N ASP A 23 -7.804 -14.495 0.705 1.00 0.00 N ATOM 290 CA ASP A 23 -8.606 -14.417 1.921 1.00 0.00 C ATOM 291 C ASP A 23 -7.717 -14.254 3.149 1.00 0.00 C ATOM 292 O ASP A 23 -7.871 -14.969 4.139 1.00 0.00 O ATOM 293 CB ASP A 23 -9.474 -15.669 2.066 1.00 0.00 C ATOM 294 CG ASP A 23 -10.509 -15.786 0.965 1.00 0.00 C ATOM 295 OD1 ASP A 23 -11.193 -14.780 0.683 1.00 0.00 O ATOM 296 OD2 ASP A 23 -10.635 -16.884 0.384 1.00 0.00 O ATOM 0 H ASP A 23 -7.992 -13.756 0.027 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.253 -13.543 1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.836 -16.553 2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.977 -15.649 3.033 1.00 0.00 H new ATOM 301 N GLY A 24 -6.784 -13.310 3.077 1.00 0.00 N ATOM 302 CA GLY A 24 -5.883 -13.071 4.190 1.00 0.00 C ATOM 303 C GLY A 24 -5.911 -11.630 4.660 1.00 0.00 C ATOM 304 O GLY A 24 -6.975 -11.084 4.951 1.00 0.00 O ATOM 0 H GLY A 24 -6.636 -12.706 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.153 -13.725 5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.867 -13.334 3.894 1.00 0.00 H new ATOM 308 N THR A 25 -4.737 -11.011 4.736 1.00 0.00 N ATOM 309 CA THR A 25 -4.630 -9.626 5.177 1.00 0.00 C ATOM 310 C THR A 25 -3.358 -8.976 4.645 1.00 0.00 C ATOM 311 O THR A 25 -2.251 -9.357 5.022 1.00 0.00 O ATOM 312 CB THR A 25 -4.641 -9.523 6.714 1.00 0.00 C ATOM 313 OG1 THR A 25 -5.438 -10.575 7.270 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.186 -8.176 7.163 1.00 0.00 C ATOM 0 H THR A 25 -3.846 -11.447 4.498 1.00 0.00 H new ATOM 0 HA THR A 25 -5.498 -9.100 4.779 1.00 0.00 H new ATOM 0 HB THR A 25 -3.615 -9.618 7.069 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.439 -10.503 8.247 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.184 -8.127 8.252 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.560 -7.378 6.763 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.205 -8.055 6.796 1.00 0.00 H new ATOM 322 N ALA A 26 -3.525 -7.992 3.767 1.00 0.00 N ATOM 323 CA ALA A 26 -2.390 -7.287 3.185 1.00 0.00 C ATOM 324 C ALA A 26 -2.082 -6.009 3.959 1.00 0.00 C ATOM 325 O ALA A 26 -2.800 -5.015 3.847 1.00 0.00 O ATOM 326 CB ALA A 26 -2.661 -6.968 1.722 1.00 0.00 C ATOM 0 H ALA A 26 -4.435 -7.665 3.443 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.518 -7.938 3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.805 -6.441 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.824 -7.895 1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.548 -6.339 1.645 1.00 0.00 H new ATOM 332 N LEU A 27 -1.011 -6.043 4.745 1.00 0.00 N ATOM 333 CA LEU A 27 -0.608 -4.887 5.538 1.00 0.00 C ATOM 334 C LEU A 27 0.603 -4.197 4.919 1.00 0.00 C ATOM 335 O LEU A 27 1.746 -4.492 5.270 1.00 0.00 O ATOM 336 CB LEU A 27 -0.288 -5.315 6.972 1.00 0.00 C ATOM 337 CG LEU A 27 -1.489 -5.655 7.855 1.00 0.00 C ATOM 338 CD1 LEU A 27 -2.355 -4.425 8.075 1.00 0.00 C ATOM 339 CD2 LEU A 27 -2.305 -6.780 7.235 1.00 0.00 C ATOM 0 H LEU A 27 -0.407 -6.858 4.850 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.437 -4.180 5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.366 -6.186 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.275 -4.514 7.452 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.120 -5.992 8.824 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.205 -4.686 8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.766 -3.648 8.563 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.716 -4.057 7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.156 -7.009 7.877 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.664 -6.471 6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.681 -7.667 7.130 1.00 0.00 H new ATOM 351 N LEU A 28 0.345 -3.275 3.998 1.00 0.00 N ATOM 352 CA LEU A 28 1.414 -2.540 3.330 1.00 0.00 C ATOM 353 C LEU A 28 1.782 -1.284 4.114 1.00 0.00 C ATOM 354 O LEU A 28 0.978 -0.361 4.242 1.00 0.00 O ATOM 355 CB LEU A 28 0.990 -2.163 1.910 1.00 0.00 C ATOM 356 CG LEU A 28 1.239 -3.220 0.832 1.00 0.00 C ATOM 357 CD1 LEU A 28 0.244 -4.362 0.965 1.00 0.00 C ATOM 358 CD2 LEU A 28 1.157 -2.597 -0.554 1.00 0.00 C ATOM 0 H LEU A 28 -0.595 -3.018 3.697 1.00 0.00 H new ATOM 0 HA LEU A 28 2.291 -3.186 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.074 -1.927 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.516 -1.252 1.625 1.00 0.00 H new ATOM 0 HG LEU A 28 2.243 -3.622 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.436 -5.104 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.351 -4.825 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.769 -3.976 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.337 -3.363 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.166 -2.167 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.909 -1.814 -0.646 1.00 0.00 H new ATOM 370 N LYS A 29 3.004 -1.255 4.635 1.00 0.00 N ATOM 371 CA LYS A 29 3.482 -0.112 5.403 1.00 0.00 C ATOM 372 C LYS A 29 4.031 0.972 4.480 1.00 0.00 C ATOM 373 O LYS A 29 4.582 0.678 3.419 1.00 0.00 O ATOM 374 CB LYS A 29 4.565 -0.552 6.391 1.00 0.00 C ATOM 375 CG LYS A 29 4.016 -1.254 7.621 1.00 0.00 C ATOM 376 CD LYS A 29 3.856 -2.746 7.387 1.00 0.00 C ATOM 377 CE LYS A 29 3.130 -3.417 8.542 1.00 0.00 C ATOM 378 NZ LYS A 29 4.069 -3.831 9.622 1.00 0.00 N ATOM 0 H LYS A 29 3.682 -2.011 4.539 1.00 0.00 H new ATOM 0 HA LYS A 29 2.639 0.300 5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.260 -1.219 5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.135 0.322 6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.685 -1.087 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.052 -0.821 7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.303 -2.913 6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.837 -3.202 7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.386 -2.733 8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.592 -4.291 8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.535 -4.284 10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.764 -4.504 9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.564 -2.994 9.991 1.00 0.00 H new ATOM 392 N CYS A 30 3.878 2.226 4.892 1.00 0.00 N ATOM 393 CA CYS A 30 4.358 3.354 4.104 1.00 0.00 C ATOM 394 C CYS A 30 4.470 4.610 4.963 1.00 0.00 C ATOM 395 O CYS A 30 3.463 5.175 5.391 1.00 0.00 O ATOM 396 CB CYS A 30 3.422 3.614 2.922 1.00 0.00 C ATOM 397 SG CYS A 30 4.223 4.429 1.503 1.00 0.00 S ATOM 0 H CYS A 30 3.425 2.486 5.768 1.00 0.00 H new ATOM 0 HA CYS A 30 5.349 3.104 3.726 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.000 2.665 2.591 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.590 4.232 3.260 1.00 0.00 H new ATOM 402 N LYS A 31 5.702 5.042 5.213 1.00 0.00 N ATOM 403 CA LYS A 31 5.947 6.231 6.020 1.00 0.00 C ATOM 404 C LYS A 31 6.732 7.273 5.228 1.00 0.00 C ATOM 405 O LYS A 31 7.780 6.973 4.658 1.00 0.00 O ATOM 406 CB LYS A 31 6.712 5.860 7.293 1.00 0.00 C ATOM 407 CG LYS A 31 6.859 7.012 8.271 1.00 0.00 C ATOM 408 CD LYS A 31 7.192 6.518 9.669 1.00 0.00 C ATOM 409 CE LYS A 31 7.018 7.617 10.705 1.00 0.00 C ATOM 410 NZ LYS A 31 5.633 7.649 11.253 1.00 0.00 N ATOM 0 H LYS A 31 6.546 4.586 4.868 1.00 0.00 H new ATOM 0 HA LYS A 31 4.983 6.659 6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.198 5.037 7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.703 5.498 7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.643 7.686 7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.934 7.588 8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.549 5.674 9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.219 6.154 9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.727 7.465 11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.253 8.581 10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.555 8.412 11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.958 7.820 10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.418 6.738 11.706 1.00 0.00 H new ATOM 424 N ALA A 32 6.218 8.498 5.200 1.00 0.00 N ATOM 425 CA ALA A 32 6.872 9.585 4.482 1.00 0.00 C ATOM 426 C ALA A 32 6.959 10.839 5.344 1.00 0.00 C ATOM 427 O ALA A 32 5.989 11.224 5.999 1.00 0.00 O ATOM 428 CB ALA A 32 6.131 9.883 3.186 1.00 0.00 C ATOM 0 H ALA A 32 5.350 8.763 5.666 1.00 0.00 H new ATOM 0 HA ALA A 32 7.888 9.270 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.630 10.697 2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.126 8.993 2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.105 10.173 3.412 1.00 0.00 H new ATOM 434 N THR A 33 8.127 11.474 5.342 1.00 0.00 N ATOM 435 CA THR A 33 8.341 12.684 6.126 1.00 0.00 C ATOM 436 C THR A 33 8.458 13.908 5.225 1.00 0.00 C ATOM 437 O THR A 33 9.076 13.853 4.163 1.00 0.00 O ATOM 438 CB THR A 33 9.609 12.575 6.993 1.00 0.00 C ATOM 439 OG1 THR A 33 9.776 13.766 7.770 1.00 0.00 O ATOM 440 CG2 THR A 33 10.840 12.352 6.126 1.00 0.00 C ATOM 0 H THR A 33 8.940 11.170 4.806 1.00 0.00 H new ATOM 0 HA THR A 33 7.474 12.797 6.777 1.00 0.00 H new ATOM 0 HB THR A 33 9.494 11.720 7.660 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.584 13.687 8.320 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.723 12.278 6.760 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.723 11.429 5.558 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.957 13.189 5.438 1.00 0.00 H new ATOM 448 N GLY A 34 7.861 15.015 5.658 1.00 0.00 N ATOM 449 CA GLY A 34 7.912 16.238 4.879 1.00 0.00 C ATOM 450 C GLY A 34 6.993 17.313 5.427 1.00 0.00 C ATOM 451 O GLY A 34 6.228 17.068 6.359 1.00 0.00 O ATOM 0 H GLY A 34 7.343 15.086 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.935 16.613 4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.636 16.020 3.847 1.00 0.00 H new ATOM 455 N ASP A 35 7.070 18.506 4.847 1.00 0.00 N ATOM 456 CA ASP A 35 6.239 19.622 5.283 1.00 0.00 C ATOM 457 C ASP A 35 5.797 20.468 4.093 1.00 0.00 C ATOM 458 O ASP A 35 6.614 20.988 3.333 1.00 0.00 O ATOM 459 CB ASP A 35 7.000 20.490 6.287 1.00 0.00 C ATOM 460 CG ASP A 35 6.095 21.469 7.009 1.00 0.00 C ATOM 461 OD1 ASP A 35 5.829 22.554 6.450 1.00 0.00 O ATOM 462 OD2 ASP A 35 5.653 21.151 8.133 1.00 0.00 O ATOM 0 H ASP A 35 7.699 18.725 4.074 1.00 0.00 H new ATOM 0 HA ASP A 35 5.351 19.215 5.766 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.493 19.848 7.018 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.784 21.040 5.766 1.00 0.00 H new ATOM 467 N PRO A 36 4.474 20.609 3.926 1.00 0.00 N ATOM 468 CA PRO A 36 3.492 19.993 4.824 1.00 0.00 C ATOM 469 C PRO A 36 3.448 18.476 4.682 1.00 0.00 C ATOM 470 O PRO A 36 4.029 17.911 3.755 1.00 0.00 O ATOM 471 CB PRO A 36 2.165 20.611 4.377 1.00 0.00 C ATOM 472 CG PRO A 36 2.385 20.990 2.953 1.00 0.00 C ATOM 473 CD PRO A 36 3.834 21.379 2.846 1.00 0.00 C ATOM 0 HA PRO A 36 3.730 20.173 5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.344 19.901 4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.909 21.480 4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.154 20.158 2.288 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.737 21.818 2.665 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.248 21.123 1.871 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.973 22.452 2.980 1.00 0.00 H new ATOM 481 N LEU A 37 2.755 17.820 5.607 1.00 0.00 N ATOM 482 CA LEU A 37 2.634 16.366 5.584 1.00 0.00 C ATOM 483 C LEU A 37 2.090 15.886 4.243 1.00 0.00 C ATOM 484 O LEU A 37 1.083 16.384 3.739 1.00 0.00 O ATOM 485 CB LEU A 37 1.721 15.893 6.717 1.00 0.00 C ATOM 486 CG LEU A 37 2.405 15.605 8.054 1.00 0.00 C ATOM 487 CD1 LEU A 37 3.187 14.302 7.983 1.00 0.00 C ATOM 488 CD2 LEU A 37 3.318 16.757 8.446 1.00 0.00 C ATOM 0 H LEU A 37 2.269 18.272 6.382 1.00 0.00 H new ATOM 0 HA LEU A 37 3.628 15.941 5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.955 16.651 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.210 14.987 6.391 1.00 0.00 H new ATOM 0 HG LEU A 37 1.636 15.502 8.819 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.667 14.113 8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.508 13.482 7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.947 14.376 7.205 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.796 16.534 9.400 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.082 16.893 7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.731 17.671 8.539 1.00 0.00 H new ATOM 500 N PRO A 38 2.769 14.892 3.650 1.00 0.00 N ATOM 501 CA PRO A 38 2.370 14.320 2.360 1.00 0.00 C ATOM 502 C PRO A 38 1.080 13.513 2.458 1.00 0.00 C ATOM 503 O PRO A 38 0.767 12.948 3.507 1.00 0.00 O ATOM 504 CB PRO A 38 3.545 13.409 1.998 1.00 0.00 C ATOM 505 CG PRO A 38 4.165 13.052 3.305 1.00 0.00 C ATOM 506 CD PRO A 38 3.977 14.250 4.194 1.00 0.00 C ATOM 0 HA PRO A 38 2.166 15.091 1.617 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.207 12.521 1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.256 13.920 1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.690 12.170 3.734 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.223 12.818 3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.843 13.960 5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.838 14.917 4.157 1.00 0.00 H new ATOM 514 N VAL A 39 0.335 13.461 1.359 1.00 0.00 N ATOM 515 CA VAL A 39 -0.920 12.720 1.321 1.00 0.00 C ATOM 516 C VAL A 39 -0.726 11.341 0.701 1.00 0.00 C ATOM 517 O VAL A 39 -0.900 11.161 -0.505 1.00 0.00 O ATOM 518 CB VAL A 39 -1.997 13.482 0.524 1.00 0.00 C ATOM 519 CG1 VAL A 39 -3.261 12.645 0.400 1.00 0.00 C ATOM 520 CG2 VAL A 39 -2.297 14.821 1.181 1.00 0.00 C ATOM 0 H VAL A 39 0.579 13.923 0.483 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.253 12.607 2.353 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.616 13.672 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.010 13.199 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.031 11.714 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.649 12.422 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.059 15.346 0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.658 14.655 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.388 15.422 1.213 1.00 0.00 H new ATOM 530 N ILE A 40 -0.365 10.370 1.533 1.00 0.00 N ATOM 531 CA ILE A 40 -0.149 9.006 1.067 1.00 0.00 C ATOM 532 C ILE A 40 -1.294 8.543 0.173 1.00 0.00 C ATOM 533 O ILE A 40 -2.466 8.701 0.515 1.00 0.00 O ATOM 534 CB ILE A 40 -0.003 8.025 2.246 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.172 8.434 3.136 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.182 6.605 1.732 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.517 8.309 2.455 1.00 0.00 C ATOM 0 H ILE A 40 -0.216 10.503 2.533 1.00 0.00 H new ATOM 0 HA ILE A 40 0.777 9.011 0.493 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.914 8.058 2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.031 9.466 3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.170 7.816 4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.284 5.923 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.684 6.318 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.079 6.555 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.304 8.615 3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.679 7.273 2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.539 8.948 1.572 1.00 0.00 H new ATOM 549 N SER A 41 -0.946 7.968 -0.974 1.00 0.00 N ATOM 550 CA SER A 41 -1.945 7.482 -1.919 1.00 0.00 C ATOM 551 C SER A 41 -1.436 6.251 -2.662 1.00 0.00 C ATOM 552 O SER A 41 -0.273 6.190 -3.062 1.00 0.00 O ATOM 553 CB SER A 41 -2.308 8.582 -2.919 1.00 0.00 C ATOM 554 OG SER A 41 -2.711 9.765 -2.252 1.00 0.00 O ATOM 0 H SER A 41 0.020 7.827 -1.271 1.00 0.00 H new ATOM 0 HA SER A 41 -2.836 7.203 -1.357 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.450 8.795 -3.557 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.111 8.236 -3.569 1.00 0.00 H new ATOM 0 HG SER A 41 -1.934 10.177 -1.820 1.00 0.00 H new ATOM 560 N TRP A 42 -2.315 5.272 -2.844 1.00 0.00 N ATOM 561 CA TRP A 42 -1.956 4.041 -3.539 1.00 0.00 C ATOM 562 C TRP A 42 -2.625 3.974 -4.907 1.00 0.00 C ATOM 563 O TRP A 42 -3.792 4.338 -5.057 1.00 0.00 O ATOM 564 CB TRP A 42 -2.353 2.824 -2.702 1.00 0.00 C ATOM 565 CG TRP A 42 -1.790 2.849 -1.313 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.299 3.511 -0.233 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.608 2.182 -0.857 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.505 3.297 0.867 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.462 2.484 0.512 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.340 1.358 -1.469 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.594 1.991 1.274 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.388 0.870 -0.712 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.508 1.187 0.648 1.00 0.00 C ATOM 0 H TRP A 42 -3.282 5.307 -2.520 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.876 4.036 -3.683 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.440 2.770 -2.645 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.015 1.919 -3.207 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.195 4.114 -0.242 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.666 3.682 1.798 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.255 1.107 -2.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.689 2.234 2.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.127 0.234 -1.176 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.338 0.789 1.213 1.00 0.00 H new ATOM 584 N LEU A 43 -1.880 3.506 -5.903 1.00 0.00 N ATOM 585 CA LEU A 43 -2.403 3.390 -7.260 1.00 0.00 C ATOM 586 C LEU A 43 -2.223 1.973 -7.793 1.00 0.00 C ATOM 587 O LEU A 43 -1.100 1.486 -7.929 1.00 0.00 O ATOM 588 CB LEU A 43 -1.702 4.388 -8.184 1.00 0.00 C ATOM 589 CG LEU A 43 -2.021 5.864 -7.943 1.00 0.00 C ATOM 590 CD1 LEU A 43 -1.014 6.751 -8.659 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.436 6.185 -8.400 1.00 0.00 C ATOM 0 H LEU A 43 -0.913 3.201 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.469 3.615 -7.233 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.625 4.249 -8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.963 4.144 -9.214 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.952 6.061 -6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.257 7.798 -8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.012 6.540 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.050 6.552 -9.730 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.646 7.240 -8.221 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.532 5.972 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.146 5.574 -7.842 1.00 0.00 H new ATOM 603 N LYS A 44 -3.337 1.315 -8.096 1.00 0.00 N ATOM 604 CA LYS A 44 -3.304 -0.046 -8.619 1.00 0.00 C ATOM 605 C LYS A 44 -3.129 -0.043 -10.134 1.00 0.00 C ATOM 606 O LYS A 44 -4.091 0.144 -10.878 1.00 0.00 O ATOM 607 CB LYS A 44 -4.589 -0.789 -8.245 1.00 0.00 C ATOM 608 CG LYS A 44 -4.430 -2.299 -8.210 1.00 0.00 C ATOM 609 CD LYS A 44 -5.405 -2.940 -7.237 1.00 0.00 C ATOM 610 CE LYS A 44 -5.005 -4.370 -6.908 1.00 0.00 C ATOM 611 NZ LYS A 44 -5.481 -4.783 -5.559 1.00 0.00 N ATOM 0 H LYS A 44 -4.274 1.702 -7.988 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.452 -0.559 -8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.926 -0.445 -7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.370 -0.531 -8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.591 -2.706 -9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.409 -2.552 -7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.445 -2.352 -6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.407 -2.931 -7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.415 -5.044 -7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.920 -4.463 -6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.403 -5.816 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.899 -4.323 -4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.474 -4.499 -5.439 1.00 0.00 H new ATOM 625 N GLU A 45 -1.896 -0.252 -10.583 1.00 0.00 N ATOM 626 CA GLU A 45 -1.596 -0.274 -12.010 1.00 0.00 C ATOM 627 C GLU A 45 -1.987 1.046 -12.668 1.00 0.00 C ATOM 628 O GLU A 45 -2.415 1.075 -13.821 1.00 0.00 O ATOM 629 CB GLU A 45 -2.330 -1.432 -12.690 1.00 0.00 C ATOM 630 CG GLU A 45 -2.045 -2.786 -12.062 1.00 0.00 C ATOM 631 CD GLU A 45 -2.878 -3.898 -12.670 1.00 0.00 C ATOM 632 OE1 GLU A 45 -3.224 -3.793 -13.865 1.00 0.00 O ATOM 633 OE2 GLU A 45 -3.183 -4.872 -11.951 1.00 0.00 O ATOM 0 H GLU A 45 -1.089 -0.409 -9.980 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.522 -0.415 -12.127 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.403 -1.243 -12.653 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.047 -1.462 -13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.988 -3.022 -12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.241 -2.734 -10.991 1.00 0.00 H new ATOM 640 N GLY A 46 -1.836 2.139 -11.925 1.00 0.00 N ATOM 641 CA GLY A 46 -2.178 3.447 -12.452 1.00 0.00 C ATOM 642 C GLY A 46 -3.657 3.753 -12.330 1.00 0.00 C ATOM 643 O GLY A 46 -4.285 4.212 -13.284 1.00 0.00 O ATOM 0 H GLY A 46 -1.483 2.141 -10.968 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.608 4.209 -11.922 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.884 3.501 -13.500 1.00 0.00 H new ATOM 647 N PHE A 47 -4.217 3.498 -11.152 1.00 0.00 N ATOM 648 CA PHE A 47 -5.633 3.746 -10.908 1.00 0.00 C ATOM 649 C PHE A 47 -5.897 3.980 -9.424 1.00 0.00 C ATOM 650 O PHE A 47 -5.235 3.398 -8.564 1.00 0.00 O ATOM 651 CB PHE A 47 -6.473 2.568 -11.408 1.00 0.00 C ATOM 652 CG PHE A 47 -6.483 2.431 -12.904 1.00 0.00 C ATOM 653 CD1 PHE A 47 -5.472 1.744 -13.557 1.00 0.00 C ATOM 654 CD2 PHE A 47 -7.504 2.989 -13.657 1.00 0.00 C ATOM 655 CE1 PHE A 47 -5.479 1.618 -14.933 1.00 0.00 C ATOM 656 CE2 PHE A 47 -7.516 2.865 -15.033 1.00 0.00 C ATOM 657 CZ PHE A 47 -6.503 2.177 -15.672 1.00 0.00 C ATOM 0 H PHE A 47 -3.711 3.120 -10.351 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.918 4.645 -11.455 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.090 1.647 -10.969 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.497 2.687 -11.055 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.670 1.302 -12.984 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.299 3.527 -13.163 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.684 1.083 -15.430 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.317 3.306 -15.608 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.512 2.076 -16.747 1.00 0.00 H new ATOM 667 N THR A 48 -6.870 4.837 -9.130 1.00 0.00 N ATOM 668 CA THR A 48 -7.221 5.150 -7.750 1.00 0.00 C ATOM 669 C THR A 48 -7.469 3.880 -6.944 1.00 0.00 C ATOM 670 O THR A 48 -8.123 2.951 -7.417 1.00 0.00 O ATOM 671 CB THR A 48 -8.475 6.043 -7.679 1.00 0.00 C ATOM 672 OG1 THR A 48 -8.695 6.470 -6.330 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.700 5.298 -8.187 1.00 0.00 C ATOM 0 H THR A 48 -7.429 5.327 -9.829 1.00 0.00 H new ATOM 0 HA THR A 48 -6.375 5.688 -7.323 1.00 0.00 H new ATOM 0 HB THR A 48 -8.311 6.914 -8.314 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.492 7.038 -6.293 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.572 5.949 -8.127 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.541 4.999 -9.223 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.866 4.411 -7.575 1.00 0.00 H new ATOM 681 N PHE A 49 -6.943 3.848 -5.724 1.00 0.00 N ATOM 682 CA PHE A 49 -7.107 2.691 -4.852 1.00 0.00 C ATOM 683 C PHE A 49 -6.720 3.033 -3.416 1.00 0.00 C ATOM 684 O PHE A 49 -5.743 3.738 -3.161 1.00 0.00 O ATOM 685 CB PHE A 49 -6.260 1.521 -5.356 1.00 0.00 C ATOM 686 CG PHE A 49 -6.375 0.287 -4.506 1.00 0.00 C ATOM 687 CD1 PHE A 49 -5.796 0.241 -3.248 1.00 0.00 C ATOM 688 CD2 PHE A 49 -7.062 -0.825 -4.965 1.00 0.00 C ATOM 689 CE1 PHE A 49 -5.899 -0.893 -2.465 1.00 0.00 C ATOM 690 CE2 PHE A 49 -7.169 -1.961 -4.186 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.588 -1.995 -2.934 1.00 0.00 C ATOM 0 H PHE A 49 -6.400 4.610 -5.317 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.158 2.402 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.559 1.279 -6.376 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.215 1.830 -5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.259 1.100 -2.875 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.519 -0.804 -5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.441 -0.918 -1.487 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.707 -2.822 -4.556 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.672 -2.881 -2.322 1.00 0.00 H new ATOM 701 N PRO A 50 -7.503 2.522 -2.455 1.00 0.00 N ATOM 702 CA PRO A 50 -8.668 1.681 -2.746 1.00 0.00 C ATOM 703 C PRO A 50 -9.804 2.468 -3.389 1.00 0.00 C ATOM 704 O PRO A 50 -10.418 2.015 -4.355 1.00 0.00 O ATOM 705 CB PRO A 50 -9.088 1.166 -1.367 1.00 0.00 C ATOM 706 CG PRO A 50 -8.583 2.191 -0.410 1.00 0.00 C ATOM 707 CD PRO A 50 -7.312 2.725 -1.009 1.00 0.00 C ATOM 0 HA PRO A 50 -8.432 0.890 -3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.170 1.059 -1.297 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.657 0.186 -1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.313 2.988 -0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.398 1.752 0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.165 3.778 -0.767 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.438 2.188 -0.640 1.00 0.00 H new ATOM 715 N GLY A 51 -10.080 3.651 -2.848 1.00 0.00 N ATOM 716 CA GLY A 51 -11.142 4.483 -3.383 1.00 0.00 C ATOM 717 C GLY A 51 -12.432 4.351 -2.598 1.00 0.00 C ATOM 718 O GLY A 51 -12.531 4.831 -1.468 1.00 0.00 O ATOM 0 H GLY A 51 -9.587 4.048 -2.048 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.821 5.525 -3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.323 4.211 -4.423 1.00 0.00 H new ATOM 722 N ARG A 52 -13.424 3.701 -3.197 1.00 0.00 N ATOM 723 CA ARG A 52 -14.716 3.510 -2.548 1.00 0.00 C ATOM 724 C ARG A 52 -14.723 2.231 -1.717 1.00 0.00 C ATOM 725 O ARG A 52 -15.237 2.208 -0.598 1.00 0.00 O ATOM 726 CB ARG A 52 -15.833 3.460 -3.592 1.00 0.00 C ATOM 727 CG ARG A 52 -17.215 3.729 -3.018 1.00 0.00 C ATOM 728 CD ARG A 52 -17.818 2.474 -2.408 1.00 0.00 C ATOM 729 NE ARG A 52 -18.924 2.781 -1.505 1.00 0.00 N ATOM 730 CZ ARG A 52 -19.688 1.855 -0.935 1.00 0.00 C ATOM 731 NH1 ARG A 52 -19.467 0.570 -1.175 1.00 0.00 N ATOM 732 NH2 ARG A 52 -20.674 2.215 -0.124 1.00 0.00 N ATOM 0 H ARG A 52 -13.358 3.297 -4.131 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.889 4.356 -1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.624 4.193 -4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.831 2.479 -4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -17.150 4.509 -2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -17.870 4.104 -3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -18.171 1.818 -3.204 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.047 1.929 -1.864 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.121 3.761 -1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.709 0.291 -1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -20.055 -0.139 -0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.846 3.203 0.062 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.260 1.504 0.313 1.00 0.00 H new ATOM 746 N ASP A 53 -14.150 1.168 -2.272 1.00 0.00 N ATOM 747 CA ASP A 53 -14.090 -0.115 -1.582 1.00 0.00 C ATOM 748 C ASP A 53 -13.879 0.082 -0.084 1.00 0.00 C ATOM 749 O ASP A 53 -12.835 0.558 0.363 1.00 0.00 O ATOM 750 CB ASP A 53 -12.965 -0.977 -2.160 1.00 0.00 C ATOM 751 CG ASP A 53 -13.373 -1.679 -3.440 1.00 0.00 C ATOM 752 OD1 ASP A 53 -13.894 -2.811 -3.355 1.00 0.00 O ATOM 753 OD2 ASP A 53 -13.172 -1.097 -4.525 1.00 0.00 O ATOM 0 H ASP A 53 -13.721 1.170 -3.197 1.00 0.00 H new ATOM 0 HA ASP A 53 -15.042 -0.625 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.094 -0.351 -2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.665 -1.720 -1.421 1.00 0.00 H new ATOM 758 N PRO A 54 -14.892 -0.292 0.711 1.00 0.00 N ATOM 759 CA PRO A 54 -14.841 -0.165 2.171 1.00 0.00 C ATOM 760 C PRO A 54 -13.855 -1.141 2.803 1.00 0.00 C ATOM 761 O PRO A 54 -13.003 -0.748 3.600 1.00 0.00 O ATOM 762 CB PRO A 54 -16.272 -0.493 2.605 1.00 0.00 C ATOM 763 CG PRO A 54 -16.811 -1.353 1.515 1.00 0.00 C ATOM 764 CD PRO A 54 -16.165 -0.868 0.247 1.00 0.00 C ATOM 0 HA PRO A 54 -14.502 0.823 2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.286 -1.013 3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -16.867 0.413 2.725 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -16.578 -2.403 1.695 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -17.896 -1.273 1.455 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -16.004 -1.683 -0.459 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -16.781 -0.125 -0.259 1.00 0.00 H new ATOM 772 N ARG A 55 -13.977 -2.415 2.443 1.00 0.00 N ATOM 773 CA ARG A 55 -13.097 -3.447 2.977 1.00 0.00 C ATOM 774 C ARG A 55 -11.648 -2.969 2.998 1.00 0.00 C ATOM 775 O ARG A 55 -10.892 -3.289 3.914 1.00 0.00 O ATOM 776 CB ARG A 55 -13.211 -4.725 2.144 1.00 0.00 C ATOM 777 CG ARG A 55 -14.473 -5.524 2.424 1.00 0.00 C ATOM 778 CD ARG A 55 -14.402 -6.913 1.808 1.00 0.00 C ATOM 779 NE ARG A 55 -14.180 -6.862 0.366 1.00 0.00 N ATOM 780 CZ ARG A 55 -14.482 -7.857 -0.460 1.00 0.00 C ATOM 781 NH1 ARG A 55 -15.016 -8.975 0.011 1.00 0.00 N ATOM 782 NH2 ARG A 55 -14.250 -7.735 -1.761 1.00 0.00 N ATOM 0 H ARG A 55 -14.677 -2.757 1.784 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.407 -3.659 4.000 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.184 -4.463 1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.342 -5.354 2.338 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.619 -5.609 3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.337 -4.992 2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.597 -7.477 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.329 -7.448 2.013 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.770 -6.015 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.196 -9.073 1.010 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.247 -9.738 -0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.839 -6.876 -2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.482 -8.500 -2.394 1.00 0.00 H new ATOM 796 N ALA A 56 -11.269 -2.201 1.982 1.00 0.00 N ATOM 797 CA ALA A 56 -9.912 -1.677 1.884 1.00 0.00 C ATOM 798 C ALA A 56 -9.796 -0.322 2.575 1.00 0.00 C ATOM 799 O ALA A 56 -10.394 0.662 2.139 1.00 0.00 O ATOM 800 CB ALA A 56 -9.493 -1.566 0.426 1.00 0.00 C ATOM 0 H ALA A 56 -11.883 -1.928 1.215 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.243 -2.372 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.478 -1.173 0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.528 -2.551 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.172 -0.894 -0.098 1.00 0.00 H new ATOM 806 N THR A 57 -9.023 -0.278 3.655 1.00 0.00 N ATOM 807 CA THR A 57 -8.830 0.955 4.407 1.00 0.00 C ATOM 808 C THR A 57 -7.358 1.171 4.740 1.00 0.00 C ATOM 809 O THR A 57 -6.567 0.227 4.743 1.00 0.00 O ATOM 810 CB THR A 57 -9.644 0.949 5.715 1.00 0.00 C ATOM 811 OG1 THR A 57 -9.671 2.264 6.281 1.00 0.00 O ATOM 812 CG2 THR A 57 -9.051 -0.029 6.718 1.00 0.00 C ATOM 0 H THR A 57 -8.520 -1.083 4.029 1.00 0.00 H new ATOM 0 HA THR A 57 -9.180 1.770 3.773 1.00 0.00 H new ATOM 0 HB THR A 57 -10.661 0.633 5.482 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.192 2.252 7.111 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.643 -0.015 7.633 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.060 -1.034 6.295 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.025 0.260 6.945 1.00 0.00 H new ATOM 820 N ILE A 58 -6.997 2.419 5.020 1.00 0.00 N ATOM 821 CA ILE A 58 -5.619 2.758 5.356 1.00 0.00 C ATOM 822 C ILE A 58 -5.527 3.365 6.751 1.00 0.00 C ATOM 823 O ILE A 58 -6.167 4.375 7.043 1.00 0.00 O ATOM 824 CB ILE A 58 -5.018 3.745 4.338 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.539 3.442 2.932 1.00 0.00 C ATOM 826 CG2 ILE A 58 -3.499 3.681 4.371 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.267 4.547 1.935 1.00 0.00 C ATOM 0 H ILE A 58 -7.639 3.212 5.021 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.050 1.829 5.329 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.325 4.755 4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.080 2.520 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.613 3.265 2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.089 4.384 3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.145 3.941 5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.172 2.672 4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.664 4.263 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.749 5.466 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.192 4.709 1.856 1.00 0.00 H new ATOM 839 N GLN A 59 -4.725 2.743 7.609 1.00 0.00 N ATOM 840 CA GLN A 59 -4.548 3.223 8.975 1.00 0.00 C ATOM 841 C GLN A 59 -3.893 4.600 8.987 1.00 0.00 C ATOM 842 O GLN A 59 -3.296 5.022 7.997 1.00 0.00 O ATOM 843 CB GLN A 59 -3.702 2.235 9.780 1.00 0.00 C ATOM 844 CG GLN A 59 -4.185 0.797 9.678 1.00 0.00 C ATOM 845 CD GLN A 59 -5.674 0.662 9.928 1.00 0.00 C ATOM 846 OE1 GLN A 59 -6.123 0.642 11.074 1.00 0.00 O ATOM 847 NE2 GLN A 59 -6.448 0.568 8.854 1.00 0.00 N ATOM 0 H GLN A 59 -4.188 1.906 7.383 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.533 3.305 9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.669 2.288 9.435 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.704 2.537 10.827 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.950 0.408 8.687 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.643 0.184 10.398 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.033 0.589 7.923 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.458 0.475 8.960 1.00 0.00 H new ATOM 856 N GLU A 60 -4.008 5.295 10.114 1.00 0.00 N ATOM 857 CA GLU A 60 -3.427 6.625 10.254 1.00 0.00 C ATOM 858 C GLU A 60 -1.959 6.624 9.836 1.00 0.00 C ATOM 859 O GLU A 60 -1.383 7.675 9.557 1.00 0.00 O ATOM 860 CB GLU A 60 -3.557 7.114 11.698 1.00 0.00 C ATOM 861 CG GLU A 60 -3.059 8.535 11.907 1.00 0.00 C ATOM 862 CD GLU A 60 -3.106 8.961 13.361 1.00 0.00 C ATOM 863 OE1 GLU A 60 -2.525 8.248 14.206 1.00 0.00 O ATOM 864 OE2 GLU A 60 -3.723 10.007 13.654 1.00 0.00 O ATOM 0 H GLU A 60 -4.498 4.959 10.943 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.974 7.303 9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.603 7.057 11.999 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.000 6.443 12.352 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.035 8.615 11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.664 9.219 11.312 1.00 0.00 H new ATOM 871 N GLN A 61 -1.362 5.438 9.795 1.00 0.00 N ATOM 872 CA GLN A 61 0.038 5.300 9.412 1.00 0.00 C ATOM 873 C GLN A 61 0.163 4.772 7.987 1.00 0.00 C ATOM 874 O GLN A 61 0.911 3.831 7.726 1.00 0.00 O ATOM 875 CB GLN A 61 0.764 4.364 10.380 1.00 0.00 C ATOM 876 CG GLN A 61 0.799 4.878 11.811 1.00 0.00 C ATOM 877 CD GLN A 61 2.010 5.746 12.090 1.00 0.00 C ATOM 878 OE1 GLN A 61 2.165 6.820 11.510 1.00 0.00 O ATOM 879 NE2 GLN A 61 2.877 5.283 12.983 1.00 0.00 N ATOM 0 H GLN A 61 -1.826 4.558 10.022 1.00 0.00 H new ATOM 0 HA GLN A 61 0.499 6.287 9.457 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.276 3.389 10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.786 4.215 10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.107 5.450 12.010 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.798 4.031 12.497 1.00 0.00 H new ATOM 0 HE21 GLN A 61 2.709 4.387 13.440 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.711 5.824 13.212 1.00 0.00 H new ATOM 888 N GLY A 62 -0.575 5.386 7.066 1.00 0.00 N ATOM 889 CA GLY A 62 -0.532 4.964 5.678 1.00 0.00 C ATOM 890 C GLY A 62 -0.460 3.457 5.533 1.00 0.00 C ATOM 891 O GLY A 62 0.036 2.944 4.529 1.00 0.00 O ATOM 0 H GLY A 62 -1.202 6.168 7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.418 5.334 5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.333 5.415 5.191 1.00 0.00 H new ATOM 895 N THR A 63 -0.956 2.742 6.539 1.00 0.00 N ATOM 896 CA THR A 63 -0.943 1.285 6.520 1.00 0.00 C ATOM 897 C THR A 63 -2.157 0.734 5.781 1.00 0.00 C ATOM 898 O THR A 63 -3.230 0.571 6.363 1.00 0.00 O ATOM 899 CB THR A 63 -0.919 0.705 7.947 1.00 0.00 C ATOM 900 OG1 THR A 63 -0.084 1.508 8.788 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.411 -0.729 7.940 1.00 0.00 C ATOM 0 H THR A 63 -1.372 3.149 7.377 1.00 0.00 H new ATOM 0 HA THR A 63 -0.035 0.984 5.997 1.00 0.00 H new ATOM 0 HB THR A 63 -1.938 0.711 8.335 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.322 2.225 8.257 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.403 -1.117 8.959 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.066 -1.344 7.322 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.600 -0.755 7.534 1.00 0.00 H new ATOM 909 N LEU A 64 -1.981 0.448 4.496 1.00 0.00 N ATOM 910 CA LEU A 64 -3.063 -0.086 3.676 1.00 0.00 C ATOM 911 C LEU A 64 -3.403 -1.515 4.086 1.00 0.00 C ATOM 912 O LEU A 64 -2.609 -2.433 3.887 1.00 0.00 O ATOM 913 CB LEU A 64 -2.676 -0.046 2.196 1.00 0.00 C ATOM 914 CG LEU A 64 -3.590 -0.815 1.242 1.00 0.00 C ATOM 915 CD1 LEU A 64 -4.703 0.085 0.728 1.00 0.00 C ATOM 916 CD2 LEU A 64 -2.790 -1.391 0.083 1.00 0.00 C ATOM 0 H LEU A 64 -1.100 0.577 3.999 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.944 0.536 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.646 0.996 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.665 -0.440 2.095 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.042 -1.641 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.344 -0.479 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.295 0.448 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.270 0.932 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.458 -1.935 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.309 -0.581 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.030 -2.070 0.468 1.00 0.00 H new ATOM 928 N GLN A 65 -4.590 -1.694 4.658 1.00 0.00 N ATOM 929 CA GLN A 65 -5.035 -3.012 5.095 1.00 0.00 C ATOM 930 C GLN A 65 -6.200 -3.504 4.242 1.00 0.00 C ATOM 931 O GLN A 65 -7.267 -2.890 4.219 1.00 0.00 O ATOM 932 CB GLN A 65 -5.447 -2.973 6.567 1.00 0.00 C ATOM 933 CG GLN A 65 -6.034 -4.281 7.070 1.00 0.00 C ATOM 934 CD GLN A 65 -6.802 -4.116 8.367 1.00 0.00 C ATOM 935 OE1 GLN A 65 -6.586 -3.161 9.112 1.00 0.00 O ATOM 936 NE2 GLN A 65 -7.706 -5.049 8.642 1.00 0.00 N ATOM 0 H GLN A 65 -5.260 -0.944 4.829 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.203 -3.706 4.976 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.577 -2.718 7.172 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.178 -2.178 6.710 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.697 -4.693 6.310 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.230 -5.003 7.217 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.852 -5.824 7.995 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.254 -4.991 9.500 1.00 0.00 H new ATOM 945 N ILE A 66 -5.987 -4.613 3.542 1.00 0.00 N ATOM 946 CA ILE A 66 -7.020 -5.187 2.688 1.00 0.00 C ATOM 947 C ILE A 66 -7.413 -6.582 3.162 1.00 0.00 C ATOM 948 O ILE A 66 -6.589 -7.496 3.188 1.00 0.00 O ATOM 949 CB ILE A 66 -6.558 -5.266 1.221 1.00 0.00 C ATOM 950 CG1 ILE A 66 -5.965 -3.928 0.777 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.719 -5.662 0.321 1.00 0.00 C ATOM 952 CD1 ILE A 66 -5.103 -4.030 -0.461 1.00 0.00 C ATOM 0 H ILE A 66 -5.109 -5.132 3.549 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.885 -4.527 2.753 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.784 -6.029 1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.776 -3.225 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.369 -3.516 1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.377 -5.714 -0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.100 -6.637 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.513 -4.920 0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.716 -3.044 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.271 -4.708 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.700 -4.412 -1.289 1.00 0.00 H new ATOM 964 N LYS A 67 -8.678 -6.739 3.536 1.00 0.00 N ATOM 965 CA LYS A 67 -9.184 -8.024 4.007 1.00 0.00 C ATOM 966 C LYS A 67 -9.845 -8.797 2.871 1.00 0.00 C ATOM 967 O LYS A 67 -10.235 -8.218 1.858 1.00 0.00 O ATOM 968 CB LYS A 67 -10.184 -7.815 5.146 1.00 0.00 C ATOM 969 CG LYS A 67 -9.529 -7.609 6.501 1.00 0.00 C ATOM 970 CD LYS A 67 -10.449 -8.028 7.635 1.00 0.00 C ATOM 971 CE LYS A 67 -9.710 -8.075 8.963 1.00 0.00 C ATOM 972 NZ LYS A 67 -8.907 -9.320 9.108 1.00 0.00 N ATOM 0 H LYS A 67 -9.373 -5.992 3.522 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.340 -8.606 4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.806 -6.950 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.846 -8.679 5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.604 -8.184 6.550 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.259 -6.560 6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.283 -7.329 7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.872 -9.009 7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.054 -7.208 9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.428 -8.009 9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.419 -9.313 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.536 -10.147 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.204 -9.371 8.343 1.00 0.00 H new ATOM 986 N ASN A 68 -9.969 -10.109 3.048 1.00 0.00 N ATOM 987 CA ASN A 68 -10.585 -10.961 2.037 1.00 0.00 C ATOM 988 C ASN A 68 -9.858 -10.833 0.702 1.00 0.00 C ATOM 989 O ASN A 68 -10.487 -10.696 -0.349 1.00 0.00 O ATOM 990 CB ASN A 68 -12.061 -10.599 1.864 1.00 0.00 C ATOM 991 CG ASN A 68 -12.962 -11.384 2.798 1.00 0.00 C ATOM 992 OD1 ASN A 68 -13.477 -12.442 2.437 1.00 0.00 O ATOM 993 ND2 ASN A 68 -13.157 -10.867 4.005 1.00 0.00 N ATOM 0 H ASN A 68 -9.651 -10.605 3.881 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.509 -11.995 2.374 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.194 -9.533 2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.360 -10.786 0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.754 -11.350 4.676 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.710 -9.987 4.261 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.531 -10.880 0.749 1.00 0.00 N ATOM 1001 CA LEU A 69 -7.718 -10.770 -0.457 1.00 0.00 C ATOM 1002 C LEU A 69 -8.173 -11.772 -1.513 1.00 0.00 C ATOM 1003 O LEU A 69 -8.803 -12.781 -1.196 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.243 -10.998 -0.123 1.00 0.00 C ATOM 1005 CG LEU A 69 -5.629 -10.036 0.895 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.271 -10.542 1.356 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.508 -8.639 0.304 1.00 0.00 C ATOM 0 H LEU A 69 -7.995 -10.994 1.610 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.842 -9.765 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.129 -12.015 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.668 -10.934 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.288 -9.986 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.849 -9.845 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.386 -11.521 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.603 -10.623 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.069 -7.968 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.871 -8.672 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.497 -8.275 0.025 1.00 0.00 H new ATOM 1019 N ARG A 70 -7.847 -11.488 -2.770 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.221 -12.365 -3.873 1.00 0.00 C ATOM 1021 C ARG A 70 -7.144 -12.368 -4.954 1.00 0.00 C ATOM 1022 O ARG A 70 -6.529 -11.339 -5.235 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.558 -11.924 -4.472 1.00 0.00 C ATOM 1024 CG ARG A 70 -10.721 -12.012 -3.497 1.00 0.00 C ATOM 1025 CD ARG A 70 -12.040 -12.232 -4.221 1.00 0.00 C ATOM 1026 NE ARG A 70 -13.168 -11.666 -3.486 1.00 0.00 N ATOM 1027 CZ ARG A 70 -14.384 -11.524 -4.003 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -14.627 -11.903 -5.250 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -15.359 -11.000 -3.271 1.00 0.00 N ATOM 0 H ARG A 70 -7.325 -10.658 -3.050 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.322 -13.377 -3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.467 -10.897 -4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.778 -12.541 -5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.549 -12.829 -2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.775 -11.095 -2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.990 -11.780 -5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.201 -13.300 -4.365 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.014 -11.363 -2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.879 -12.305 -5.816 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.561 -11.793 -5.644 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.175 -10.706 -2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.292 -10.891 -3.668 1.00 0.00 H new ATOM 1043 N ILE A 71 -6.921 -13.532 -5.556 1.00 0.00 N ATOM 1044 CA ILE A 71 -5.918 -13.668 -6.605 1.00 0.00 C ATOM 1045 C ILE A 71 -5.905 -12.445 -7.515 1.00 0.00 C ATOM 1046 O ILE A 71 -4.846 -11.998 -7.956 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.165 -14.926 -7.459 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.236 -16.168 -6.568 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.072 -15.079 -8.505 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -4.997 -16.378 -5.726 1.00 0.00 C ATOM 0 H ILE A 71 -7.421 -14.393 -5.335 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.952 -13.759 -6.108 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.120 -14.816 -7.973 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.102 -16.085 -5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.393 -17.046 -7.194 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.261 -15.972 -9.100 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.066 -14.204 -9.155 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.105 -15.170 -8.010 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.117 -17.276 -5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.130 -16.493 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.850 -15.517 -5.074 1.00 0.00 H new ATOM 1062 N SER A 72 -7.088 -11.906 -7.790 1.00 0.00 N ATOM 1063 CA SER A 72 -7.213 -10.734 -8.649 1.00 0.00 C ATOM 1064 C SER A 72 -6.524 -9.525 -8.023 1.00 0.00 C ATOM 1065 O SER A 72 -5.832 -8.769 -8.706 1.00 0.00 O ATOM 1066 CB SER A 72 -8.688 -10.418 -8.905 1.00 0.00 C ATOM 1067 OG SER A 72 -8.836 -9.165 -9.551 1.00 0.00 O ATOM 0 H SER A 72 -7.974 -12.262 -7.431 1.00 0.00 H new ATOM 0 HA SER A 72 -6.726 -10.957 -9.598 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.130 -11.202 -9.520 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.231 -10.410 -7.960 1.00 0.00 H new ATOM 0 HG SER A 72 -9.787 -8.987 -9.705 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.717 -9.351 -6.721 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.114 -8.235 -6.001 1.00 0.00 C ATOM 1075 C ASP A 73 -4.643 -8.079 -6.374 1.00 0.00 C ATOM 1076 O ASP A 73 -4.092 -6.979 -6.325 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.251 -8.441 -4.491 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.693 -8.378 -4.027 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.584 -8.780 -4.804 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -7.930 -7.926 -2.887 1.00 0.00 O ATOM 0 H ASP A 73 -7.286 -9.968 -6.142 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.641 -7.324 -6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.827 -9.407 -4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.671 -7.680 -3.969 1.00 0.00 H new ATOM 1085 N THR A 74 -4.012 -9.188 -6.746 1.00 0.00 N ATOM 1086 CA THR A 74 -2.605 -9.176 -7.126 1.00 0.00 C ATOM 1087 C THR A 74 -2.318 -8.073 -8.138 1.00 0.00 C ATOM 1088 O THR A 74 -3.034 -7.924 -9.128 1.00 0.00 O ATOM 1089 CB THR A 74 -2.171 -10.529 -7.720 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.208 -11.543 -6.710 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.769 -10.439 -8.305 1.00 0.00 C ATOM 0 H THR A 74 -4.453 -10.106 -6.792 1.00 0.00 H new ATOM 0 HA THR A 74 -2.034 -8.988 -6.217 1.00 0.00 H new ATOM 0 HB THR A 74 -2.865 -10.788 -8.519 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.058 -12.028 -6.764 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.484 -11.407 -8.718 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.752 -9.688 -9.095 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.065 -10.158 -7.522 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.265 -7.302 -7.885 1.00 0.00 N ATOM 1100 CA GLY A 75 -0.902 -6.222 -8.784 1.00 0.00 C ATOM 1101 C GLY A 75 0.340 -5.482 -8.330 1.00 0.00 C ATOM 1102 O GLY A 75 1.115 -5.991 -7.520 1.00 0.00 O ATOM 0 H GLY A 75 -0.656 -7.406 -7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.736 -6.625 -9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.733 -5.520 -8.858 1.00 0.00 H new ATOM 1106 N THR A 76 0.533 -4.276 -8.854 1.00 0.00 N ATOM 1107 CA THR A 76 1.692 -3.465 -8.501 1.00 0.00 C ATOM 1108 C THR A 76 1.269 -2.176 -7.806 1.00 0.00 C ATOM 1109 O THR A 76 0.978 -1.174 -8.459 1.00 0.00 O ATOM 1110 CB THR A 76 2.532 -3.113 -9.743 1.00 0.00 C ATOM 1111 OG1 THR A 76 3.141 -4.296 -10.273 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.607 -2.094 -9.398 1.00 0.00 C ATOM 0 H THR A 76 -0.099 -3.839 -9.525 1.00 0.00 H new ATOM 0 HA THR A 76 2.299 -4.061 -7.819 1.00 0.00 H new ATOM 0 HB THR A 76 1.870 -2.679 -10.492 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.672 -4.065 -11.063 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.187 -1.861 -10.291 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.139 -1.184 -9.022 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.266 -2.505 -8.634 1.00 0.00 H new ATOM 1120 N TYR A 77 1.237 -2.208 -6.478 1.00 0.00 N ATOM 1121 CA TYR A 77 0.848 -1.041 -5.695 1.00 0.00 C ATOM 1122 C TYR A 77 1.911 0.050 -5.777 1.00 0.00 C ATOM 1123 O TYR A 77 3.105 -0.235 -5.885 1.00 0.00 O ATOM 1124 CB TYR A 77 0.618 -1.435 -4.235 1.00 0.00 C ATOM 1125 CG TYR A 77 -0.567 -2.352 -4.035 1.00 0.00 C ATOM 1126 CD1 TYR A 77 -1.867 -1.863 -4.095 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.388 -3.707 -3.784 1.00 0.00 C ATOM 1128 CE1 TYR A 77 -2.953 -2.697 -3.912 1.00 0.00 C ATOM 1129 CE2 TYR A 77 -1.468 -4.549 -3.602 1.00 0.00 C ATOM 1130 CZ TYR A 77 -2.749 -4.039 -3.666 1.00 0.00 C ATOM 1131 OH TYR A 77 -3.827 -4.874 -3.483 1.00 0.00 O ATOM 0 H TYR A 77 1.476 -3.029 -5.922 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.081 -0.650 -6.110 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.514 -1.925 -3.854 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.472 -0.532 -3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.031 -0.813 -4.288 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.613 -4.109 -3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.956 -2.300 -3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.311 -5.600 -3.411 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.697 -5.402 -2.668 1.00 0.00 H new ATOM 1141 N THR A 78 1.469 1.303 -5.725 1.00 0.00 N ATOM 1142 CA THR A 78 2.381 2.438 -5.794 1.00 0.00 C ATOM 1143 C THR A 78 2.050 3.474 -4.726 1.00 0.00 C ATOM 1144 O THR A 78 1.119 4.265 -4.881 1.00 0.00 O ATOM 1145 CB THR A 78 2.335 3.112 -7.178 1.00 0.00 C ATOM 1146 OG1 THR A 78 2.566 2.139 -8.204 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.375 4.217 -7.277 1.00 0.00 C ATOM 0 H THR A 78 0.485 1.557 -5.635 1.00 0.00 H new ATOM 0 HA THR A 78 3.384 2.049 -5.621 1.00 0.00 H new ATOM 0 HB THR A 78 1.347 3.553 -7.311 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.534 2.575 -9.081 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.323 4.678 -8.263 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.179 4.970 -6.514 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.369 3.796 -7.125 1.00 0.00 H new ATOM 1155 N CYS A 79 2.818 3.466 -3.642 1.00 0.00 N ATOM 1156 CA CYS A 79 2.608 4.406 -2.547 1.00 0.00 C ATOM 1157 C CYS A 79 3.260 5.751 -2.852 1.00 0.00 C ATOM 1158 O CYS A 79 4.473 5.909 -2.720 1.00 0.00 O ATOM 1159 CB CYS A 79 3.171 3.837 -1.244 1.00 0.00 C ATOM 1160 SG CYS A 79 2.650 4.742 0.249 1.00 0.00 S ATOM 0 H CYS A 79 3.593 2.818 -3.498 1.00 0.00 H new ATOM 0 HA CYS A 79 1.535 4.560 -2.434 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.862 2.796 -1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.260 3.843 -1.298 1.00 0.00 H new ATOM 1165 N VAL A 80 2.445 6.718 -3.261 1.00 0.00 N ATOM 1166 CA VAL A 80 2.941 8.051 -3.583 1.00 0.00 C ATOM 1167 C VAL A 80 2.531 9.063 -2.519 1.00 0.00 C ATOM 1168 O VAL A 80 1.425 9.001 -1.982 1.00 0.00 O ATOM 1169 CB VAL A 80 2.423 8.526 -4.954 1.00 0.00 C ATOM 1170 CG1 VAL A 80 0.967 8.132 -5.141 1.00 0.00 C ATOM 1171 CG2 VAL A 80 2.600 10.030 -5.097 1.00 0.00 C ATOM 0 H VAL A 80 1.438 6.603 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 80 4.028 7.984 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 80 3.008 8.038 -5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.619 8.476 -6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.873 7.047 -5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.363 8.589 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.229 10.349 -6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.041 10.538 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.657 10.282 -5.011 1.00 0.00 H new ATOM 1181 N ALA A 81 3.430 9.994 -2.219 1.00 0.00 N ATOM 1182 CA ALA A 81 3.161 11.022 -1.220 1.00 0.00 C ATOM 1183 C ALA A 81 3.262 12.417 -1.827 1.00 0.00 C ATOM 1184 O ALA A 81 4.357 12.956 -1.992 1.00 0.00 O ATOM 1185 CB ALA A 81 4.121 10.883 -0.048 1.00 0.00 C ATOM 0 H ALA A 81 4.351 10.058 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 81 2.142 10.885 -0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.909 11.657 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.997 9.901 0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.146 10.991 -0.403 1.00 0.00 H new ATOM 1191 N THR A 82 2.113 12.998 -2.158 1.00 0.00 N ATOM 1192 CA THR A 82 2.073 14.330 -2.748 1.00 0.00 C ATOM 1193 C THR A 82 2.130 15.410 -1.674 1.00 0.00 C ATOM 1194 O THR A 82 1.654 15.212 -0.556 1.00 0.00 O ATOM 1195 CB THR A 82 0.801 14.531 -3.594 1.00 0.00 C ATOM 1196 OG1 THR A 82 0.549 13.364 -4.384 1.00 0.00 O ATOM 1197 CG2 THR A 82 0.941 15.743 -4.502 1.00 0.00 C ATOM 0 H THR A 82 1.198 12.567 -2.027 1.00 0.00 H new ATOM 0 HA THR A 82 2.948 14.416 -3.392 1.00 0.00 H new ATOM 0 HB THR A 82 -0.036 14.699 -2.917 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.128 13.373 -5.175 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.031 15.865 -5.089 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.104 16.634 -3.896 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.789 15.600 -5.172 1.00 0.00 H new ATOM 1205 N SER A 83 2.715 16.552 -2.020 1.00 0.00 N ATOM 1206 CA SER A 83 2.838 17.662 -1.083 1.00 0.00 C ATOM 1207 C SER A 83 3.389 18.903 -1.780 1.00 0.00 C ATOM 1208 O SER A 83 4.284 18.810 -2.620 1.00 0.00 O ATOM 1209 CB SER A 83 3.745 17.274 0.086 1.00 0.00 C ATOM 1210 OG SER A 83 4.358 18.417 0.658 1.00 0.00 O ATOM 0 H SER A 83 3.111 16.733 -2.942 1.00 0.00 H new ATOM 0 HA SER A 83 1.844 17.893 -0.700 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.162 16.752 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.512 16.581 -0.259 1.00 0.00 H new ATOM 0 HG SER A 83 4.294 18.368 1.635 1.00 0.00 H new ATOM 1216 N SER A 84 2.848 20.063 -1.423 1.00 0.00 N ATOM 1217 CA SER A 84 3.283 21.323 -2.016 1.00 0.00 C ATOM 1218 C SER A 84 4.787 21.314 -2.269 1.00 0.00 C ATOM 1219 O SER A 84 5.258 21.800 -3.298 1.00 0.00 O ATOM 1220 CB SER A 84 2.914 22.494 -1.104 1.00 0.00 C ATOM 1221 OG SER A 84 3.433 23.714 -1.605 1.00 0.00 O ATOM 0 H SER A 84 2.108 20.157 -0.727 1.00 0.00 H new ATOM 0 HA SER A 84 2.773 21.442 -2.972 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.830 22.564 -1.018 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.302 22.315 -0.101 1.00 0.00 H new ATOM 0 HG SER A 84 3.182 24.447 -1.005 1.00 0.00 H new ATOM 1227 N SER A 85 5.537 20.758 -1.323 1.00 0.00 N ATOM 1228 CA SER A 85 6.989 20.689 -1.439 1.00 0.00 C ATOM 1229 C SER A 85 7.397 19.887 -2.672 1.00 0.00 C ATOM 1230 O SER A 85 7.987 20.424 -3.608 1.00 0.00 O ATOM 1231 CB SER A 85 7.593 20.058 -0.184 1.00 0.00 C ATOM 1232 OG SER A 85 8.921 20.506 0.024 1.00 0.00 O ATOM 0 H SER A 85 5.163 20.348 -0.467 1.00 0.00 H new ATOM 0 HA SER A 85 7.369 21.705 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.982 20.308 0.683 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.583 18.972 -0.278 1.00 0.00 H new ATOM 0 HG SER A 85 9.067 20.664 0.980 1.00 0.00 H new ATOM 1238 N GLY A 86 7.077 18.596 -2.663 1.00 0.00 N ATOM 1239 CA GLY A 86 7.418 17.741 -3.785 1.00 0.00 C ATOM 1240 C GLY A 86 6.518 16.524 -3.880 1.00 0.00 C ATOM 1241 O GLY A 86 5.344 16.584 -3.519 1.00 0.00 O ATOM 0 H GLY A 86 6.588 18.128 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.348 18.314 -4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.454 17.416 -3.689 1.00 0.00 H new ATOM 1245 N GLU A 87 7.071 15.418 -4.369 1.00 0.00 N ATOM 1246 CA GLU A 87 6.309 14.183 -4.512 1.00 0.00 C ATOM 1247 C GLU A 87 7.237 12.995 -4.742 1.00 0.00 C ATOM 1248 O GLU A 87 8.271 13.117 -5.399 1.00 0.00 O ATOM 1249 CB GLU A 87 5.317 14.302 -5.672 1.00 0.00 C ATOM 1250 CG GLU A 87 4.766 12.966 -6.140 1.00 0.00 C ATOM 1251 CD GLU A 87 3.501 13.113 -6.963 1.00 0.00 C ATOM 1252 OE1 GLU A 87 2.733 14.064 -6.707 1.00 0.00 O ATOM 1253 OE2 GLU A 87 3.279 12.276 -7.864 1.00 0.00 O ATOM 0 H GLU A 87 8.043 15.352 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 87 5.757 14.017 -3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.488 14.940 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.808 14.797 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.523 12.453 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.560 12.338 -5.273 1.00 0.00 H new ATOM 1260 N THR A 88 6.861 11.843 -4.195 1.00 0.00 N ATOM 1261 CA THR A 88 7.659 10.632 -4.338 1.00 0.00 C ATOM 1262 C THR A 88 6.773 9.392 -4.391 1.00 0.00 C ATOM 1263 O THR A 88 5.828 9.259 -3.613 1.00 0.00 O ATOM 1264 CB THR A 88 8.663 10.481 -3.180 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.676 9.531 -3.530 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.960 10.035 -1.907 1.00 0.00 C ATOM 0 H THR A 88 6.008 11.724 -3.649 1.00 0.00 H new ATOM 0 HA THR A 88 8.207 10.724 -5.276 1.00 0.00 H new ATOM 0 HB THR A 88 9.123 11.452 -3.000 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.311 9.442 -2.789 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.690 9.935 -1.104 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.211 10.775 -1.627 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.475 9.074 -2.077 1.00 0.00 H new ATOM 1274 N SER A 89 7.084 8.487 -5.313 1.00 0.00 N ATOM 1275 CA SER A 89 6.313 7.259 -5.470 1.00 0.00 C ATOM 1276 C SER A 89 7.182 6.035 -5.199 1.00 0.00 C ATOM 1277 O SER A 89 8.406 6.092 -5.309 1.00 0.00 O ATOM 1278 CB SER A 89 5.723 7.178 -6.879 1.00 0.00 C ATOM 1279 OG SER A 89 6.692 6.733 -7.813 1.00 0.00 O ATOM 0 H SER A 89 7.865 8.581 -5.963 1.00 0.00 H new ATOM 0 HA SER A 89 5.500 7.274 -4.744 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.872 6.497 -6.882 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.349 8.158 -7.177 1.00 0.00 H new ATOM 0 HG SER A 89 6.290 6.688 -8.705 1.00 0.00 H new ATOM 1285 N TRP A 90 6.539 4.928 -4.844 1.00 0.00 N ATOM 1286 CA TRP A 90 7.252 3.689 -4.557 1.00 0.00 C ATOM 1287 C TRP A 90 6.800 2.572 -5.491 1.00 0.00 C ATOM 1288 O TRP A 90 5.887 2.755 -6.297 1.00 0.00 O ATOM 1289 CB TRP A 90 7.030 3.275 -3.101 1.00 0.00 C ATOM 1290 CG TRP A 90 8.157 2.463 -2.536 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.209 1.104 -2.419 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.392 2.961 -2.010 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.402 0.726 -1.852 1.00 0.00 N ATOM 1294 CE2 TRP A 90 10.146 1.847 -1.593 1.00 0.00 C ATOM 1295 CE3 TRP A 90 9.935 4.239 -1.854 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.412 1.975 -1.028 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.192 4.365 -1.293 1.00 0.00 C ATOM 1298 CH2 TRP A 90 11.920 3.238 -0.887 1.00 0.00 C ATOM 0 H TRP A 90 5.526 4.863 -4.748 1.00 0.00 H new ATOM 0 HA TRP A 90 8.315 3.864 -4.720 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.896 4.170 -2.493 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.107 2.700 -3.031 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.427 0.426 -2.727 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.687 -0.233 -1.656 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.382 5.113 -2.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.973 1.108 -0.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.620 5.348 -1.165 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.901 3.369 -0.454 1.00 0.00 H new ATOM 1309 N SER A 91 7.443 1.414 -5.377 1.00 0.00 N ATOM 1310 CA SER A 91 7.108 0.268 -6.214 1.00 0.00 C ATOM 1311 C SER A 91 7.074 -1.015 -5.390 1.00 0.00 C ATOM 1312 O SER A 91 7.995 -1.299 -4.625 1.00 0.00 O ATOM 1313 CB SER A 91 8.120 0.129 -7.353 1.00 0.00 C ATOM 1314 OG SER A 91 9.349 -0.397 -6.882 1.00 0.00 O ATOM 0 H SER A 91 8.199 1.245 -4.713 1.00 0.00 H new ATOM 0 HA SER A 91 6.117 0.435 -6.636 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.714 -0.523 -8.127 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.290 1.102 -7.813 1.00 0.00 H new ATOM 0 HG SER A 91 9.978 -0.478 -7.629 1.00 0.00 H new ATOM 1320 N ALA A 92 6.005 -1.787 -5.552 1.00 0.00 N ATOM 1321 CA ALA A 92 5.850 -3.041 -4.826 1.00 0.00 C ATOM 1322 C ALA A 92 4.886 -3.978 -5.547 1.00 0.00 C ATOM 1323 O ALA A 92 4.348 -3.640 -6.601 1.00 0.00 O ATOM 1324 CB ALA A 92 5.368 -2.774 -3.408 1.00 0.00 C ATOM 0 H ALA A 92 5.233 -1.566 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 92 6.824 -3.529 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.257 -3.720 -2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.095 -2.150 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.407 -2.261 -3.441 1.00 0.00 H new ATOM 1330 N VAL A 93 4.674 -5.158 -4.972 1.00 0.00 N ATOM 1331 CA VAL A 93 3.774 -6.143 -5.559 1.00 0.00 C ATOM 1332 C VAL A 93 3.128 -7.008 -4.483 1.00 0.00 C ATOM 1333 O VAL A 93 3.692 -7.203 -3.405 1.00 0.00 O ATOM 1334 CB VAL A 93 4.514 -7.054 -6.557 1.00 0.00 C ATOM 1335 CG1 VAL A 93 3.588 -8.144 -7.073 1.00 0.00 C ATOM 1336 CG2 VAL A 93 5.079 -6.234 -7.707 1.00 0.00 C ATOM 0 H VAL A 93 5.113 -5.454 -4.101 1.00 0.00 H new ATOM 0 HA VAL A 93 3.000 -5.588 -6.089 1.00 0.00 H new ATOM 0 HB VAL A 93 5.345 -7.533 -6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.128 -8.777 -7.777 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.236 -8.748 -6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.735 -7.689 -7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.599 -6.893 -8.403 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.266 -5.727 -8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.778 -5.494 -7.317 1.00 0.00 H new ATOM 1346 N LEU A 94 1.941 -7.524 -4.781 1.00 0.00 N ATOM 1347 CA LEU A 94 1.216 -8.370 -3.838 1.00 0.00 C ATOM 1348 C LEU A 94 0.785 -9.676 -4.498 1.00 0.00 C ATOM 1349 O LEU A 94 -0.253 -9.738 -5.157 1.00 0.00 O ATOM 1350 CB LEU A 94 -0.009 -7.630 -3.298 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.850 -8.387 -2.269 1.00 0.00 C ATOM 1352 CD1 LEU A 94 0.002 -8.792 -1.077 1.00 0.00 C ATOM 1353 CD2 LEU A 94 -2.032 -7.540 -1.819 1.00 0.00 C ATOM 0 H LEU A 94 1.460 -7.372 -5.667 1.00 0.00 H new ATOM 0 HA LEU A 94 1.885 -8.606 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.325 -6.695 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.650 -7.367 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.235 -9.292 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.614 -9.329 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.814 -9.437 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.417 -7.901 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.619 -8.094 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.667 -6.617 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.657 -7.301 -2.680 1.00 0.00 H new ATOM 1365 N ASP A 95 1.589 -10.718 -4.315 1.00 0.00 N ATOM 1366 CA ASP A 95 1.290 -12.024 -4.890 1.00 0.00 C ATOM 1367 C ASP A 95 0.436 -12.855 -3.936 1.00 0.00 C ATOM 1368 O ASP A 95 0.926 -13.358 -2.925 1.00 0.00 O ATOM 1369 CB ASP A 95 2.585 -12.770 -5.216 1.00 0.00 C ATOM 1370 CG ASP A 95 3.093 -12.465 -6.611 1.00 0.00 C ATOM 1371 OD1 ASP A 95 3.770 -11.429 -6.783 1.00 0.00 O ATOM 1372 OD2 ASP A 95 2.815 -13.262 -7.531 1.00 0.00 O ATOM 0 H ASP A 95 2.452 -10.683 -3.773 1.00 0.00 H new ATOM 0 HA ASP A 95 0.728 -11.868 -5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.349 -12.501 -4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.417 -13.843 -5.120 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.845 -12.993 -4.265 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.767 -13.762 -3.438 1.00 0.00 C ATOM 1379 C VAL A 96 -1.908 -15.190 -3.955 1.00 0.00 C ATOM 1380 O VAL A 96 -2.119 -15.413 -5.147 1.00 0.00 O ATOM 1381 CB VAL A 96 -3.159 -13.105 -3.390 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.130 -13.968 -2.599 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -3.068 -11.708 -2.796 1.00 0.00 C ATOM 0 H VAL A 96 -1.267 -12.582 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.349 -13.783 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.536 -13.018 -4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.108 -13.488 -2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.217 -14.946 -3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.762 -14.090 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.061 -11.258 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.670 -11.769 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.408 -11.094 -3.409 1.00 0.00 H new ATOM 1393 N THR A 97 -1.792 -16.155 -3.048 1.00 0.00 N ATOM 1394 CA THR A 97 -1.906 -17.562 -3.412 1.00 0.00 C ATOM 1395 C THR A 97 -3.090 -18.217 -2.709 1.00 0.00 C ATOM 1396 O THR A 97 -3.230 -18.121 -1.490 1.00 0.00 O ATOM 1397 CB THR A 97 -0.623 -18.338 -3.063 1.00 0.00 C ATOM 1398 OG1 THR A 97 -0.331 -18.201 -1.667 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.555 -17.835 -3.884 1.00 0.00 C ATOM 0 H THR A 97 -1.619 -15.988 -2.057 1.00 0.00 H new ATOM 0 HA THR A 97 -2.061 -17.598 -4.490 1.00 0.00 H new ATOM 0 HB THR A 97 -0.787 -19.390 -3.298 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.167 -18.098 -1.166 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.450 -18.399 -3.620 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.342 -17.968 -4.945 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.718 -16.777 -3.677 1.00 0.00 H new ATOM 1407 N GLU A 98 -3.938 -18.884 -3.485 1.00 0.00 N ATOM 1408 CA GLU A 98 -5.110 -19.555 -2.935 1.00 0.00 C ATOM 1409 C GLU A 98 -4.730 -20.416 -1.734 1.00 0.00 C ATOM 1410 O GLU A 98 -5.394 -20.383 -0.698 1.00 0.00 O ATOM 1411 CB GLU A 98 -5.779 -20.420 -4.006 1.00 0.00 C ATOM 1412 CG GLU A 98 -6.439 -19.616 -5.114 1.00 0.00 C ATOM 1413 CD GLU A 98 -7.382 -20.450 -5.958 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -8.004 -21.382 -5.406 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -7.499 -20.171 -7.169 1.00 0.00 O ATOM 0 H GLU A 98 -3.836 -18.974 -4.496 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.813 -18.791 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.032 -21.082 -4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.529 -21.054 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.990 -18.784 -4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.669 -19.186 -5.754 1.00 0.00 H new ATOM 1422 N SER A 99 -3.658 -21.187 -1.882 1.00 0.00 N ATOM 1423 CA SER A 99 -3.191 -22.061 -0.812 1.00 0.00 C ATOM 1424 C SER A 99 -1.699 -21.865 -0.562 1.00 0.00 C ATOM 1425 O SER A 99 -0.923 -22.820 -0.587 1.00 0.00 O ATOM 1426 CB SER A 99 -3.474 -23.524 -1.159 1.00 0.00 C ATOM 1427 OG SER A 99 -4.866 -23.758 -1.285 1.00 0.00 O ATOM 0 H SER A 99 -3.096 -21.224 -2.732 1.00 0.00 H new ATOM 0 HA SER A 99 -3.731 -21.800 0.098 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.973 -23.783 -2.091 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.062 -24.171 -0.385 1.00 0.00 H new ATOM 0 HG SER A 99 -5.021 -24.700 -1.509 1.00 0.00 H new ATOM 1433 N GLY A 100 -1.304 -20.619 -0.323 1.00 0.00 N ATOM 1434 CA GLY A 100 0.094 -20.319 -0.072 1.00 0.00 C ATOM 1435 C GLY A 100 0.753 -21.341 0.832 1.00 0.00 C ATOM 1436 O GLY A 100 1.977 -21.361 0.969 1.00 0.00 O ATOM 0 H GLY A 100 -1.927 -19.811 -0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.630 -20.279 -1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.175 -19.331 0.382 1.00 0.00 H new TER 1440 GLY A 100