USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 562 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 0 (180deg=-0.061) USER MOD Single : A 2 SER OG : rot 66:sc= 0.154 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -59:sc= 0.119 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -130:sc= -0.226 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -53:sc= 0.932 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.947 -11.243 24.080 1.00 0.00 N ATOM 2 CA MET A 1 -4.273 -12.529 24.019 1.00 0.00 C ATOM 3 C MET A 1 -5.283 -13.676 23.965 1.00 0.00 C ATOM 4 O MET A 1 -6.015 -13.910 24.926 1.00 0.00 O ATOM 5 CB MET A 1 -3.378 -12.694 25.249 1.00 0.00 C ATOM 6 CG MET A 1 -2.527 -13.962 25.141 1.00 0.00 C ATOM 7 SD MET A 1 -3.182 -15.230 26.213 1.00 0.00 S ATOM 8 CE MET A 1 -2.090 -16.580 25.799 1.00 0.00 C ATOM 0 H1 MET A 1 -4.273 -10.486 23.845 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.733 -11.230 23.399 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.318 -11.091 25.040 1.00 0.00 H new ATOM 0 HA MET A 1 -3.669 -12.559 23.112 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.729 -11.824 25.351 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.993 -12.740 26.148 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.516 -14.316 24.110 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.495 -13.741 25.413 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.361 -17.459 26.383 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.180 -16.808 24.737 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.061 -16.298 26.024 1.00 0.00 H new ATOM 18 N SER A 2 -5.292 -14.361 22.831 1.00 0.00 N ATOM 19 CA SER A 2 -6.200 -15.479 22.639 1.00 0.00 C ATOM 20 C SER A 2 -6.052 -16.036 21.221 1.00 0.00 C ATOM 21 O SER A 2 -5.125 -15.670 20.501 1.00 0.00 O ATOM 22 CB SER A 2 -7.650 -15.061 22.895 1.00 0.00 C ATOM 23 OG SER A 2 -8.175 -15.655 24.079 1.00 0.00 O ATOM 0 H SER A 2 -4.685 -14.163 22.036 1.00 0.00 H new ATOM 0 HA SER A 2 -5.941 -16.257 23.358 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.705 -13.976 22.979 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.266 -15.347 22.042 1.00 0.00 H new ATOM 0 HG SER A 2 -7.699 -15.303 24.860 1.00 0.00 H new ATOM 29 N LEU A 3 -6.979 -16.912 20.864 1.00 0.00 N ATOM 30 CA LEU A 3 -6.963 -17.523 19.546 1.00 0.00 C ATOM 31 C LEU A 3 -7.873 -16.727 18.608 1.00 0.00 C ATOM 32 O LEU A 3 -7.574 -16.581 17.424 1.00 0.00 O ATOM 33 CB LEU A 3 -7.324 -19.007 19.639 1.00 0.00 C ATOM 34 CG LEU A 3 -6.155 -19.969 19.867 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.568 -19.796 21.269 1.00 0.00 C ATOM 36 CD2 LEU A 3 -6.574 -21.415 19.595 1.00 0.00 C ATOM 0 H LEU A 3 -7.746 -17.213 21.465 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.959 -17.488 19.123 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.039 -19.136 20.452 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.832 -19.295 18.719 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.367 -19.723 19.156 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.739 -20.491 21.405 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.208 -18.774 21.389 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.338 -19.999 22.013 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.725 -22.078 19.764 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.388 -21.690 20.265 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.907 -21.509 18.561 1.00 0.00 H new ATOM 48 N GLY A 4 -8.965 -16.234 19.173 1.00 0.00 N ATOM 49 CA GLY A 4 -9.920 -15.456 18.402 1.00 0.00 C ATOM 50 C GLY A 4 -9.298 -14.144 17.921 1.00 0.00 C ATOM 51 O GLY A 4 -9.389 -13.805 16.742 1.00 0.00 O ATOM 0 H GLY A 4 -9.210 -16.358 20.155 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.260 -16.037 17.545 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.798 -15.244 19.012 1.00 0.00 H new ATOM 55 N VAL A 5 -8.679 -13.441 18.858 1.00 0.00 N ATOM 56 CA VAL A 5 -8.042 -12.173 18.545 1.00 0.00 C ATOM 57 C VAL A 5 -6.941 -12.404 17.507 1.00 0.00 C ATOM 58 O VAL A 5 -6.627 -11.510 16.722 1.00 0.00 O ATOM 59 CB VAL A 5 -7.527 -11.515 19.826 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.373 -12.318 20.429 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.112 -10.065 19.569 1.00 0.00 C ATOM 0 H VAL A 5 -8.605 -13.726 19.835 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.762 -11.481 18.108 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.342 -11.506 20.549 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.025 -11.828 21.339 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.716 -13.325 20.667 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.554 -12.374 19.711 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.750 -9.620 20.496 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.320 -10.040 18.821 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.971 -9.500 19.207 1.00 0.00 H new ATOM 71 N LEU A 6 -6.386 -13.606 17.537 1.00 0.00 N ATOM 72 CA LEU A 6 -5.328 -13.965 16.609 1.00 0.00 C ATOM 73 C LEU A 6 -5.869 -13.910 15.179 1.00 0.00 C ATOM 74 O LEU A 6 -5.283 -13.260 14.314 1.00 0.00 O ATOM 75 CB LEU A 6 -4.721 -15.319 16.985 1.00 0.00 C ATOM 76 CG LEU A 6 -3.490 -15.747 16.185 1.00 0.00 C ATOM 77 CD1 LEU A 6 -3.003 -17.129 16.627 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.765 -15.690 14.681 1.00 0.00 C ATOM 0 H LEU A 6 -6.649 -14.344 18.190 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.510 -13.247 16.669 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.453 -15.294 18.041 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.489 -16.084 16.869 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.686 -15.040 16.391 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.127 -17.410 16.043 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.740 -17.101 17.685 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.795 -17.861 16.469 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.873 -15.999 14.136 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.590 -16.359 14.436 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.028 -14.671 14.398 1.00 0.00 H new ATOM 90 N ALA A 7 -6.980 -14.602 14.974 1.00 0.00 N ATOM 91 CA ALA A 7 -7.607 -14.639 13.663 1.00 0.00 C ATOM 92 C ALA A 7 -7.917 -13.212 13.210 1.00 0.00 C ATOM 93 O ALA A 7 -7.896 -12.917 12.016 1.00 0.00 O ATOM 94 CB ALA A 7 -8.858 -15.518 13.720 1.00 0.00 C ATOM 0 H ALA A 7 -7.462 -15.141 15.693 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.933 -15.079 12.928 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.328 -15.546 12.737 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.579 -16.529 14.018 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.559 -15.106 14.446 1.00 0.00 H new ATOM 100 N ALA A 8 -8.200 -12.363 14.187 1.00 0.00 N ATOM 101 CA ALA A 8 -8.514 -10.973 13.903 1.00 0.00 C ATOM 102 C ALA A 8 -7.257 -10.262 13.399 1.00 0.00 C ATOM 103 O ALA A 8 -7.342 -9.350 12.578 1.00 0.00 O ATOM 104 CB ALA A 8 -9.093 -10.314 15.157 1.00 0.00 C ATOM 0 H ALA A 8 -8.218 -12.611 15.176 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.268 -10.903 13.119 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.329 -9.271 14.944 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.001 -10.837 15.457 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.362 -10.363 15.964 1.00 0.00 H new ATOM 110 N ALA A 9 -6.119 -10.707 13.911 1.00 0.00 N ATOM 111 CA ALA A 9 -4.845 -10.125 13.523 1.00 0.00 C ATOM 112 C ALA A 9 -4.530 -10.515 12.078 1.00 0.00 C ATOM 113 O ALA A 9 -3.874 -9.765 11.357 1.00 0.00 O ATOM 114 CB ALA A 9 -3.758 -10.577 14.500 1.00 0.00 C ATOM 0 H ALA A 9 -6.052 -11.464 14.591 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.891 -9.037 13.568 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.803 -10.140 14.209 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.015 -10.249 15.507 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.681 -11.664 14.481 1.00 0.00 H new ATOM 120 N ILE A 10 -5.013 -11.689 11.697 1.00 0.00 N ATOM 121 CA ILE A 10 -4.792 -12.188 10.351 1.00 0.00 C ATOM 122 C ILE A 10 -5.761 -11.497 9.389 1.00 0.00 C ATOM 123 O ILE A 10 -5.340 -10.917 8.389 1.00 0.00 O ATOM 124 CB ILE A 10 -4.883 -13.715 10.324 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.494 -14.349 10.436 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.634 -14.198 9.082 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.534 -15.605 11.309 1.00 0.00 C ATOM 0 H ILE A 10 -5.557 -12.309 12.298 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.783 -11.946 10.016 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.456 -14.038 11.193 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.125 -14.604 9.442 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.795 -13.629 10.860 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.684 -15.287 9.088 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.644 -13.788 9.085 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.110 -13.864 8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.535 -16.036 11.372 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.880 -15.342 12.309 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.216 -16.333 10.869 1.00 0.00 H new ATOM 139 N ALA A 11 -7.039 -11.582 9.726 1.00 0.00 N ATOM 140 CA ALA A 11 -8.071 -10.972 8.905 1.00 0.00 C ATOM 141 C ALA A 11 -7.779 -9.479 8.751 1.00 0.00 C ATOM 142 O ALA A 11 -8.227 -8.850 7.794 1.00 0.00 O ATOM 143 CB ALA A 11 -9.443 -11.236 9.529 1.00 0.00 C ATOM 0 H ALA A 11 -7.384 -12.064 10.556 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.076 -11.411 7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.217 -10.778 8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.615 -12.311 9.589 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.476 -10.807 10.531 1.00 0.00 H new ATOM 149 N VAL A 12 -7.028 -8.954 9.708 1.00 0.00 N ATOM 150 CA VAL A 12 -6.670 -7.546 9.691 1.00 0.00 C ATOM 151 C VAL A 12 -5.569 -7.316 8.654 1.00 0.00 C ATOM 152 O VAL A 12 -5.706 -6.467 7.775 1.00 0.00 O ATOM 153 CB VAL A 12 -6.272 -7.090 11.097 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.133 -6.070 11.041 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.477 -6.525 11.851 1.00 0.00 C ATOM 0 H VAL A 12 -6.658 -9.479 10.500 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.526 -6.938 9.397 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.913 -7.962 11.643 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.870 -5.763 12.053 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.264 -6.521 10.561 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.452 -5.199 10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.167 -6.208 12.847 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.878 -5.670 11.307 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.245 -7.293 11.937 1.00 0.00 H new ATOM 165 N GLY A 13 -4.501 -8.088 8.792 1.00 0.00 N ATOM 166 CA GLY A 13 -3.377 -7.980 7.878 1.00 0.00 C ATOM 167 C GLY A 13 -3.839 -8.094 6.424 1.00 0.00 C ATOM 168 O GLY A 13 -3.333 -7.391 5.551 1.00 0.00 O ATOM 0 H GLY A 13 -4.390 -8.791 9.523 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.872 -7.026 8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.651 -8.763 8.095 1.00 0.00 H new ATOM 172 N LEU A 14 -4.796 -8.984 6.208 1.00 0.00 N ATOM 173 CA LEU A 14 -5.333 -9.199 4.875 1.00 0.00 C ATOM 174 C LEU A 14 -6.217 -8.012 4.489 1.00 0.00 C ATOM 175 O LEU A 14 -6.302 -7.652 3.316 1.00 0.00 O ATOM 176 CB LEU A 14 -6.048 -10.550 4.797 1.00 0.00 C ATOM 177 CG LEU A 14 -7.213 -10.635 3.809 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.705 -10.760 2.371 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.165 -11.774 4.181 1.00 0.00 C ATOM 0 H LEU A 14 -5.214 -9.565 6.935 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.527 -9.248 4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.315 -11.312 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.421 -10.800 5.790 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.781 -9.707 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.553 -10.819 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.099 -9.889 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.100 -11.662 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.984 -11.813 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.624 -12.720 4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.566 -11.602 5.180 1.00 0.00 H new ATOM 191 N GLY A 15 -6.854 -7.436 5.498 1.00 0.00 N ATOM 192 CA GLY A 15 -7.728 -6.297 5.278 1.00 0.00 C ATOM 193 C GLY A 15 -6.927 -5.063 4.858 1.00 0.00 C ATOM 194 O GLY A 15 -7.238 -4.430 3.851 1.00 0.00 O ATOM 0 H GLY A 15 -6.782 -7.737 6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.460 -6.539 4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.285 -6.080 6.190 1.00 0.00 H new ATOM 198 N ALA A 16 -5.910 -4.759 5.652 1.00 0.00 N ATOM 199 CA ALA A 16 -5.062 -3.612 5.374 1.00 0.00 C ATOM 200 C ALA A 16 -4.202 -3.906 4.143 1.00 0.00 C ATOM 201 O ALA A 16 -3.635 -2.992 3.546 1.00 0.00 O ATOM 202 CB ALA A 16 -4.219 -3.290 6.610 1.00 0.00 C ATOM 0 H ALA A 16 -5.655 -5.287 6.487 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.666 -2.732 5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.583 -2.430 6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.876 -3.061 7.449 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.597 -4.149 6.860 1.00 0.00 H new ATOM 208 N LEU A 17 -4.131 -5.184 3.801 1.00 0.00 N ATOM 209 CA LEU A 17 -3.350 -5.609 2.652 1.00 0.00 C ATOM 210 C LEU A 17 -4.010 -5.091 1.372 1.00 0.00 C ATOM 211 O LEU A 17 -3.398 -4.340 0.615 1.00 0.00 O ATOM 212 CB LEU A 17 -3.151 -7.125 2.671 1.00 0.00 C ATOM 213 CG LEU A 17 -2.888 -7.784 1.315 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.562 -8.548 1.325 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.060 -8.677 0.903 1.00 0.00 C ATOM 0 H LEU A 17 -4.602 -5.939 4.300 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.349 -5.179 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.315 -7.354 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.038 -7.583 3.109 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.802 -6.998 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.399 -9.007 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.746 -7.858 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.595 -9.324 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.848 -9.133 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.202 -9.458 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.967 -8.076 0.829 1.00 0.00 H new ATOM 227 N GLY A 18 -5.249 -5.513 1.171 1.00 0.00 N ATOM 228 CA GLY A 18 -5.999 -5.102 -0.004 1.00 0.00 C ATOM 229 C GLY A 18 -6.518 -3.671 0.151 1.00 0.00 C ATOM 230 O GLY A 18 -6.551 -2.911 -0.816 1.00 0.00 O ATOM 0 H GLY A 18 -5.753 -6.136 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.364 -5.169 -0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.837 -5.782 -0.162 1.00 0.00 H new ATOM 234 N ALA A 19 -6.910 -3.346 1.374 1.00 0.00 N ATOM 235 CA ALA A 19 -7.426 -2.020 1.667 1.00 0.00 C ATOM 236 C ALA A 19 -6.303 -0.993 1.504 1.00 0.00 C ATOM 237 O ALA A 19 -6.540 0.124 1.047 1.00 0.00 O ATOM 238 CB ALA A 19 -8.029 -2.006 3.073 1.00 0.00 C ATOM 0 H ALA A 19 -6.881 -3.978 2.174 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.220 -1.754 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.416 -1.011 3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.841 -2.732 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.260 -2.265 3.801 1.00 0.00 H new ATOM 244 N GLY A 20 -5.105 -1.408 1.887 1.00 0.00 N ATOM 245 CA GLY A 20 -3.945 -0.539 1.789 1.00 0.00 C ATOM 246 C GLY A 20 -3.661 -0.165 0.332 1.00 0.00 C ATOM 247 O GLY A 20 -3.550 1.014 0.001 1.00 0.00 O ATOM 0 H GLY A 20 -4.912 -2.335 2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.113 0.365 2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.075 -1.038 2.216 1.00 0.00 H new ATOM 251 N ILE A 21 -3.552 -1.192 -0.498 1.00 0.00 N ATOM 252 CA ILE A 21 -3.284 -0.986 -1.911 1.00 0.00 C ATOM 253 C ILE A 21 -4.283 0.028 -2.473 1.00 0.00 C ATOM 254 O ILE A 21 -3.958 0.783 -3.389 1.00 0.00 O ATOM 255 CB ILE A 21 -3.279 -2.322 -2.656 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.250 -2.316 -3.788 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.681 -2.675 -3.158 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.828 -2.201 -3.235 1.00 0.00 C ATOM 0 H ILE A 21 -3.644 -2.169 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.288 -0.565 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.981 -3.102 -1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.343 -3.230 -4.374 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.450 -1.483 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.650 -3.629 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.363 -2.750 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.031 -1.898 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.116 -2.199 -4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.731 -1.274 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.623 -3.048 -2.580 1.00 0.00 H new ATOM 270 N GLY A 22 -5.478 0.012 -1.902 1.00 0.00 N ATOM 271 CA GLY A 22 -6.526 0.921 -2.334 1.00 0.00 C ATOM 272 C GLY A 22 -6.256 2.344 -1.842 1.00 0.00 C ATOM 273 O GLY A 22 -6.576 3.313 -2.528 1.00 0.00 O ATOM 0 H GLY A 22 -5.744 -0.616 -1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.591 0.915 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.489 0.578 -1.955 1.00 0.00 H new ATOM 277 N ASN A 23 -5.671 2.424 -0.656 1.00 0.00 N ATOM 278 CA ASN A 23 -5.354 3.713 -0.063 1.00 0.00 C ATOM 279 C ASN A 23 -4.229 4.374 -0.862 1.00 0.00 C ATOM 280 O ASN A 23 -4.280 5.571 -1.138 1.00 0.00 O ATOM 281 CB ASN A 23 -4.878 3.552 1.382 1.00 0.00 C ATOM 282 CG ASN A 23 -5.695 4.433 2.330 1.00 0.00 C ATOM 283 OD1 ASN A 23 -6.533 3.966 3.084 1.00 0.00 O ATOM 284 ND2 ASN A 23 -5.404 5.728 2.250 1.00 0.00 N ATOM 0 H ASN A 23 -5.408 1.618 -0.089 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.257 4.323 -0.079 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.966 2.508 1.683 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.823 3.816 1.453 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.894 6.398 2.842 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.691 6.051 1.596 1.00 0.00 H new ATOM 291 N GLY A 24 -3.239 3.565 -1.209 1.00 0.00 N ATOM 292 CA GLY A 24 -2.103 4.056 -1.970 1.00 0.00 C ATOM 293 C GLY A 24 -2.502 4.360 -3.416 1.00 0.00 C ATOM 294 O GLY A 24 -1.881 5.195 -4.072 1.00 0.00 O ATOM 0 H GLY A 24 -3.200 2.572 -0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.708 4.957 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.304 3.314 -1.958 1.00 0.00 H new ATOM 298 N LEU A 25 -3.535 3.666 -3.869 1.00 0.00 N ATOM 299 CA LEU A 25 -4.024 3.852 -5.225 1.00 0.00 C ATOM 300 C LEU A 25 -4.690 5.224 -5.339 1.00 0.00 C ATOM 301 O LEU A 25 -4.603 5.876 -6.379 1.00 0.00 O ATOM 302 CB LEU A 25 -4.935 2.691 -5.630 1.00 0.00 C ATOM 303 CG LEU A 25 -4.235 1.457 -6.201 1.00 0.00 C ATOM 304 CD1 LEU A 25 -5.045 0.189 -5.923 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.942 1.634 -7.692 1.00 0.00 C ATOM 0 H LEU A 25 -4.047 2.974 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.196 3.840 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.511 2.386 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.647 3.055 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.276 1.344 -5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.525 -0.674 -6.340 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.159 0.059 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.029 0.277 -6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.444 0.742 -8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.877 1.786 -8.231 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.296 2.500 -7.836 1.00 0.00 H new ATOM 317 N ILE A 26 -5.340 5.624 -4.256 1.00 0.00 N ATOM 318 CA ILE A 26 -6.020 6.907 -4.221 1.00 0.00 C ATOM 319 C ILE A 26 -4.981 8.028 -4.150 1.00 0.00 C ATOM 320 O ILE A 26 -5.176 9.098 -4.725 1.00 0.00 O ATOM 321 CB ILE A 26 -7.041 6.942 -3.082 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.243 6.047 -3.396 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.463 8.378 -2.767 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.898 6.453 -4.718 1.00 0.00 C ATOM 0 H ILE A 26 -5.410 5.081 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.593 7.059 -5.136 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.567 6.542 -2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.922 5.007 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.972 6.115 -2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.189 8.374 -1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.589 8.957 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.912 8.828 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.749 5.802 -4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.239 7.486 -4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.173 6.361 -5.527 1.00 0.00 H new ATOM 336 N VAL A 27 -3.900 7.745 -3.438 1.00 0.00 N ATOM 337 CA VAL A 27 -2.830 8.716 -3.284 1.00 0.00 C ATOM 338 C VAL A 27 -2.073 8.848 -4.607 1.00 0.00 C ATOM 339 O VAL A 27 -1.716 9.953 -5.015 1.00 0.00 O ATOM 340 CB VAL A 27 -1.926 8.318 -2.115 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.012 9.476 -1.710 1.00 0.00 C ATOM 342 CG2 VAL A 27 -2.754 7.830 -0.924 1.00 0.00 C ATOM 0 H VAL A 27 -3.742 6.857 -2.961 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.237 9.698 -3.043 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.295 7.493 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.380 9.167 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.385 9.758 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.619 10.330 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.088 7.553 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.422 8.626 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.343 6.962 -1.221 1.00 0.00 H new ATOM 352 N SER A 28 -1.849 7.706 -5.241 1.00 0.00 N ATOM 353 CA SER A 28 -1.141 7.681 -6.509 1.00 0.00 C ATOM 354 C SER A 28 -1.979 8.365 -7.591 1.00 0.00 C ATOM 355 O SER A 28 -1.434 8.932 -8.537 1.00 0.00 O ATOM 356 CB SER A 28 -0.807 6.247 -6.925 1.00 0.00 C ATOM 357 OG SER A 28 -1.769 5.716 -7.832 1.00 0.00 O ATOM 0 H SER A 28 -2.146 6.792 -4.900 1.00 0.00 H new ATOM 0 HA SER A 28 -0.204 8.224 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.179 6.225 -7.389 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.757 5.615 -6.039 1.00 0.00 H new ATOM 0 HG SER A 28 -2.656 5.731 -7.415 1.00 0.00 H new ATOM 363 N ARG A 29 -3.290 8.289 -7.415 1.00 0.00 N ATOM 364 CA ARG A 29 -4.209 8.895 -8.364 1.00 0.00 C ATOM 365 C ARG A 29 -4.220 10.415 -8.196 1.00 0.00 C ATOM 366 O ARG A 29 -4.456 11.148 -9.156 1.00 0.00 O ATOM 367 CB ARG A 29 -5.628 8.357 -8.176 1.00 0.00 C ATOM 368 CG ARG A 29 -5.890 7.166 -9.100 1.00 0.00 C ATOM 369 CD ARG A 29 -5.782 7.577 -10.570 1.00 0.00 C ATOM 370 NE ARG A 29 -7.111 7.502 -11.216 1.00 0.00 N ATOM 371 CZ ARG A 29 -8.002 8.502 -11.221 1.00 0.00 C ATOM 372 NH1 ARG A 29 -7.712 9.661 -10.614 1.00 0.00 N ATOM 373 NH2 ARG A 29 -9.184 8.344 -11.833 1.00 0.00 N ATOM 0 H ARG A 29 -3.738 7.817 -6.629 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.866 8.640 -9.367 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.772 8.055 -7.138 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.350 9.147 -8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.174 6.372 -8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.883 6.761 -8.904 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.389 8.591 -10.645 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.080 6.924 -11.088 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.365 6.634 -11.687 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.813 9.782 -10.148 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.391 10.423 -10.618 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.405 7.462 -12.295 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.862 9.106 -11.837 1.00 0.00 H new ATOM 387 N THR A 30 -3.963 10.845 -6.969 1.00 0.00 N ATOM 388 CA THR A 30 -3.941 12.265 -6.663 1.00 0.00 C ATOM 389 C THR A 30 -2.605 12.881 -7.084 1.00 0.00 C ATOM 390 O THR A 30 -2.575 13.924 -7.735 1.00 0.00 O ATOM 391 CB THR A 30 -4.244 12.432 -5.173 1.00 0.00 C ATOM 392 OG1 THR A 30 -5.056 13.602 -5.113 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.001 12.799 -4.360 1.00 0.00 C ATOM 0 H THR A 30 -3.768 10.235 -6.175 1.00 0.00 H new ATOM 0 HA THR A 30 -4.703 12.803 -7.227 1.00 0.00 H new ATOM 0 HB THR A 30 -4.672 11.508 -4.784 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.300 13.783 -4.181 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.272 12.906 -3.310 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.253 12.013 -4.464 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.591 13.740 -4.726 1.00 0.00 H new ATOM 401 N ILE A 31 -1.531 12.209 -6.695 1.00 0.00 N ATOM 402 CA ILE A 31 -0.195 12.677 -7.024 1.00 0.00 C ATOM 403 C ILE A 31 -0.038 12.728 -8.545 1.00 0.00 C ATOM 404 O ILE A 31 0.541 13.672 -9.080 1.00 0.00 O ATOM 405 CB ILE A 31 0.860 11.817 -6.325 1.00 0.00 C ATOM 406 CG1 ILE A 31 2.263 12.392 -6.536 1.00 0.00 C ATOM 407 CG2 ILE A 31 0.765 10.358 -6.775 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.985 12.579 -5.200 1.00 0.00 C ATOM 0 H ILE A 31 -1.559 11.344 -6.155 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.043 13.691 -6.653 1.00 0.00 H new ATOM 0 HB ILE A 31 0.661 11.836 -5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.841 11.725 -7.176 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.194 13.349 -7.053 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.526 9.769 -6.263 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.222 9.966 -6.531 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.924 10.298 -7.852 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.979 12.989 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.417 13.265 -4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.074 11.616 -4.697 1.00 0.00 H new ATOM 420 N GLU A 32 -0.562 11.701 -9.197 1.00 0.00 N ATOM 421 CA GLU A 32 -0.487 11.618 -10.646 1.00 0.00 C ATOM 422 C GLU A 32 -1.398 12.667 -11.286 1.00 0.00 C ATOM 423 O GLU A 32 -1.114 13.158 -12.377 1.00 0.00 O ATOM 424 CB GLU A 32 -0.842 10.212 -11.133 1.00 0.00 C ATOM 425 CG GLU A 32 -2.352 10.066 -11.332 1.00 0.00 C ATOM 426 CD GLU A 32 -2.718 8.632 -11.719 1.00 0.00 C ATOM 427 OE1 GLU A 32 -2.264 7.716 -10.999 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.444 8.483 -12.725 1.00 0.00 O ATOM 0 H GLU A 32 -1.040 10.919 -8.749 1.00 0.00 H new ATOM 0 HA GLU A 32 0.539 11.824 -10.950 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.326 10.007 -12.071 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.494 9.474 -10.410 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.872 10.343 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.688 10.753 -12.109 1.00 0.00 H new ATOM 435 N GLY A 33 -2.475 12.980 -10.580 1.00 0.00 N ATOM 436 CA GLY A 33 -3.429 13.961 -11.066 1.00 0.00 C ATOM 437 C GLY A 33 -2.738 15.290 -11.380 1.00 0.00 C ATOM 438 O GLY A 33 -2.842 15.799 -12.494 1.00 0.00 O ATOM 0 H GLY A 33 -2.707 12.571 -9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.921 13.582 -11.962 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.206 14.119 -10.318 1.00 0.00 H new ATOM 442 N ILE A 34 -2.047 15.812 -10.377 1.00 0.00 N ATOM 443 CA ILE A 34 -1.338 17.071 -10.533 1.00 0.00 C ATOM 444 C ILE A 34 -0.140 16.866 -11.462 1.00 0.00 C ATOM 445 O ILE A 34 0.192 17.744 -12.256 1.00 0.00 O ATOM 446 CB ILE A 34 -0.965 17.648 -9.166 1.00 0.00 C ATOM 447 CG1 ILE A 34 -0.018 16.709 -8.415 1.00 0.00 C ATOM 448 CG2 ILE A 34 -2.216 17.975 -8.348 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.396 17.290 -8.354 1.00 0.00 C ATOM 0 H ILE A 34 -1.963 15.386 -9.454 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.981 17.815 -11.003 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.431 18.585 -9.325 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.391 16.543 -7.404 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.005 15.738 -8.910 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.922 18.383 -7.381 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.819 18.708 -8.883 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.799 17.067 -8.196 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.049 16.603 -7.815 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.775 17.432 -9.366 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.373 18.249 -7.837 1.00 0.00 H new ATOM 461 N ALA A 35 0.477 15.700 -11.331 1.00 0.00 N ATOM 462 CA ALA A 35 1.631 15.368 -12.149 1.00 0.00 C ATOM 463 C ALA A 35 1.291 15.602 -13.622 1.00 0.00 C ATOM 464 O ALA A 35 2.165 15.941 -14.419 1.00 0.00 O ATOM 465 CB ALA A 35 2.056 13.925 -11.871 1.00 0.00 C ATOM 0 H ALA A 35 0.199 14.974 -10.671 1.00 0.00 H new ATOM 0 HA ALA A 35 2.476 16.010 -11.900 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.922 13.676 -12.485 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.315 13.819 -10.818 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.234 13.251 -12.112 1.00 0.00 H new ATOM 471 N ARG A 36 0.018 15.413 -13.940 1.00 0.00 N ATOM 472 CA ARG A 36 -0.448 15.599 -15.304 1.00 0.00 C ATOM 473 C ARG A 36 0.083 16.917 -15.871 1.00 0.00 C ATOM 474 O ARG A 36 0.526 16.969 -17.018 1.00 0.00 O ATOM 475 CB ARG A 36 -1.977 15.604 -15.367 1.00 0.00 C ATOM 476 CG ARG A 36 -2.538 14.192 -15.181 1.00 0.00 C ATOM 477 CD ARG A 36 -4.026 14.236 -14.828 1.00 0.00 C ATOM 478 NE ARG A 36 -4.837 14.304 -16.063 1.00 0.00 N ATOM 479 CZ ARG A 36 -6.162 14.505 -16.082 1.00 0.00 C ATOM 480 NH1 ARG A 36 -6.833 14.659 -14.932 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.816 14.552 -17.250 1.00 0.00 N ATOM 0 H ARG A 36 -0.705 15.133 -13.277 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.073 14.766 -15.899 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.374 16.262 -14.594 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.304 16.006 -16.326 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.394 13.616 -16.095 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.988 13.679 -14.392 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.298 13.351 -14.253 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.233 15.101 -14.199 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.358 14.191 -16.956 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.335 14.623 -14.042 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.841 14.812 -14.946 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.306 14.435 -18.125 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.824 14.705 -17.264 1.00 0.00 H new ATOM 495 N GLN A 37 0.021 17.949 -15.042 1.00 0.00 N ATOM 496 CA GLN A 37 0.490 19.263 -15.447 1.00 0.00 C ATOM 497 C GLN A 37 1.796 19.141 -16.235 1.00 0.00 C ATOM 498 O GLN A 37 2.462 18.108 -16.184 1.00 0.00 O ATOM 499 CB GLN A 37 0.665 20.180 -14.235 1.00 0.00 C ATOM 500 CG GLN A 37 -0.650 20.878 -13.882 1.00 0.00 C ATOM 501 CD GLN A 37 -0.418 22.007 -12.875 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.327 21.795 -11.677 1.00 0.00 O ATOM 503 NE2 GLN A 37 -0.328 23.213 -13.426 1.00 0.00 N ATOM 0 H GLN A 37 -0.347 17.902 -14.092 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.262 19.712 -16.096 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.013 19.598 -13.381 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.432 20.926 -14.446 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.106 21.280 -14.786 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.350 20.153 -13.467 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.413 23.320 -14.437 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.174 24.032 -12.838 1.00 0.00 H new ATOM 512 N PRO A 38 2.132 20.238 -16.965 1.00 0.00 N ATOM 513 CA PRO A 38 3.346 20.264 -17.763 1.00 0.00 C ATOM 514 C PRO A 38 4.581 20.433 -16.876 1.00 0.00 C ATOM 515 O PRO A 38 5.442 19.556 -16.831 1.00 0.00 O ATOM 516 CB PRO A 38 3.152 21.414 -18.738 1.00 0.00 C ATOM 517 CG PRO A 38 2.050 22.278 -18.148 1.00 0.00 C ATOM 518 CD PRO A 38 1.367 21.479 -17.050 1.00 0.00 C ATOM 0 HA PRO A 38 3.517 19.331 -18.299 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.073 21.984 -18.858 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.874 21.046 -19.726 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.464 23.203 -17.746 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.332 22.559 -18.918 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.379 22.017 -16.102 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.322 21.285 -17.293 1.00 0.00 H new ATOM 526 N GLU A 39 4.629 21.567 -16.193 1.00 0.00 N ATOM 527 CA GLU A 39 5.744 21.863 -15.310 1.00 0.00 C ATOM 528 C GLU A 39 5.967 20.708 -14.332 1.00 0.00 C ATOM 529 O GLU A 39 7.048 20.575 -13.759 1.00 0.00 O ATOM 530 CB GLU A 39 5.518 23.179 -14.562 1.00 0.00 C ATOM 531 CG GLU A 39 6.834 23.936 -14.374 1.00 0.00 C ATOM 532 CD GLU A 39 6.588 25.441 -14.254 1.00 0.00 C ATOM 533 OE1 GLU A 39 6.222 25.869 -13.138 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.772 26.130 -15.281 1.00 0.00 O ATOM 0 H GLU A 39 3.913 22.292 -16.233 1.00 0.00 H new ATOM 0 HA GLU A 39 6.642 21.978 -15.917 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.813 23.800 -15.115 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.069 22.976 -13.590 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.341 23.574 -13.480 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.495 23.738 -15.218 1.00 0.00 H new ATOM 541 N LEU A 40 4.928 19.902 -14.170 1.00 0.00 N ATOM 542 CA LEU A 40 4.997 18.763 -13.271 1.00 0.00 C ATOM 543 C LEU A 40 5.430 17.524 -14.057 1.00 0.00 C ATOM 544 O LEU A 40 5.010 16.410 -13.748 1.00 0.00 O ATOM 545 CB LEU A 40 3.672 18.587 -12.526 1.00 0.00 C ATOM 546 CG LEU A 40 3.370 19.623 -11.441 1.00 0.00 C ATOM 547 CD1 LEU A 40 2.938 20.954 -12.059 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.336 19.089 -10.447 1.00 0.00 C ATOM 0 H LEU A 40 4.033 20.015 -14.647 1.00 0.00 H new ATOM 0 HA LEU A 40 5.749 18.931 -12.500 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.862 18.607 -13.255 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.664 17.598 -12.068 1.00 0.00 H new ATOM 0 HG LEU A 40 4.287 19.811 -10.882 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.729 21.673 -11.266 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.737 21.336 -12.694 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.039 20.803 -12.657 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.139 19.844 -9.686 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.411 18.855 -10.974 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.721 18.187 -9.972 1.00 0.00 H new ATOM 560 N ARG A 41 6.264 17.760 -15.059 1.00 0.00 N ATOM 561 CA ARG A 41 6.759 16.676 -15.891 1.00 0.00 C ATOM 562 C ARG A 41 7.537 15.668 -15.044 1.00 0.00 C ATOM 563 O ARG A 41 7.396 14.460 -15.224 1.00 0.00 O ATOM 564 CB ARG A 41 7.666 17.207 -17.003 1.00 0.00 C ATOM 565 CG ARG A 41 7.741 16.218 -18.168 1.00 0.00 C ATOM 566 CD ARG A 41 8.999 15.353 -18.073 1.00 0.00 C ATOM 567 NE ARG A 41 9.867 15.591 -19.248 1.00 0.00 N ATOM 568 CZ ARG A 41 10.904 14.813 -19.587 1.00 0.00 C ATOM 569 NH1 ARG A 41 11.209 13.741 -18.842 1.00 0.00 N ATOM 570 NH2 ARG A 41 11.636 15.106 -20.670 1.00 0.00 N ATOM 0 H ARG A 41 6.609 18.685 -15.314 1.00 0.00 H new ATOM 0 HA ARG A 41 5.897 16.185 -16.343 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.288 18.166 -17.359 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.666 17.385 -16.608 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.856 15.581 -18.166 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.740 16.762 -19.112 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.542 15.585 -17.157 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.723 14.300 -18.022 1.00 0.00 H new ATOM 0 HE ARG A 41 9.663 16.398 -19.837 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.652 13.518 -18.017 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.998 13.149 -19.100 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.404 15.922 -21.237 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.425 14.514 -20.928 1.00 0.00 H new ATOM 584 N PRO A 42 8.365 16.216 -14.114 1.00 0.00 N ATOM 585 CA PRO A 42 9.166 15.378 -13.238 1.00 0.00 C ATOM 586 C PRO A 42 8.303 14.743 -12.147 1.00 0.00 C ATOM 587 O PRO A 42 8.690 13.740 -11.549 1.00 0.00 O ATOM 588 CB PRO A 42 10.239 16.301 -12.685 1.00 0.00 C ATOM 589 CG PRO A 42 9.726 17.715 -12.902 1.00 0.00 C ATOM 590 CD PRO A 42 8.558 17.643 -13.872 1.00 0.00 C ATOM 0 HA PRO A 42 9.616 14.533 -13.759 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.413 16.107 -11.627 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.188 16.147 -13.198 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.410 18.156 -11.956 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.516 18.351 -13.302 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.663 18.097 -13.448 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.778 18.175 -14.797 1.00 0.00 H new ATOM 598 N VAL A 43 7.149 15.353 -11.919 1.00 0.00 N ATOM 599 CA VAL A 43 6.227 14.859 -10.910 1.00 0.00 C ATOM 600 C VAL A 43 5.792 13.439 -11.274 1.00 0.00 C ATOM 601 O VAL A 43 5.435 12.651 -10.399 1.00 0.00 O ATOM 602 CB VAL A 43 5.050 15.825 -10.759 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.068 15.330 -9.695 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.539 17.239 -10.439 1.00 0.00 C ATOM 0 H VAL A 43 6.831 16.185 -12.416 1.00 0.00 H new ATOM 0 HA VAL A 43 6.716 14.809 -9.937 1.00 0.00 H new ATOM 0 HB VAL A 43 4.521 15.861 -11.712 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.241 16.034 -9.607 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.683 14.352 -9.983 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.580 15.251 -8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.683 17.906 -10.337 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.103 17.227 -9.506 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.180 17.593 -11.246 1.00 0.00 H new ATOM 614 N LEU A 44 5.836 13.154 -12.567 1.00 0.00 N ATOM 615 CA LEU A 44 5.450 11.841 -13.058 1.00 0.00 C ATOM 616 C LEU A 44 6.234 10.768 -12.300 1.00 0.00 C ATOM 617 O LEU A 44 5.655 9.799 -11.812 1.00 0.00 O ATOM 618 CB LEU A 44 5.617 11.767 -14.577 1.00 0.00 C ATOM 619 CG LEU A 44 4.463 11.122 -15.347 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.344 12.133 -15.606 1.00 0.00 C ATOM 621 CD2 LEU A 44 4.961 10.474 -16.641 1.00 0.00 C ATOM 0 H LEU A 44 6.133 13.809 -13.290 1.00 0.00 H new ATOM 0 HA LEU A 44 4.392 11.658 -12.868 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.761 12.779 -14.957 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.529 11.212 -14.796 1.00 0.00 H new ATOM 0 HG LEU A 44 4.043 10.327 -14.730 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.536 11.649 -16.155 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.964 12.507 -14.655 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.734 12.965 -16.193 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.121 10.023 -17.169 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.422 11.232 -17.274 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.695 9.704 -16.403 1.00 0.00 H new ATOM 633 N GLN A 45 7.541 10.977 -12.225 1.00 0.00 N ATOM 634 CA GLN A 45 8.410 10.039 -11.535 1.00 0.00 C ATOM 635 C GLN A 45 7.988 9.903 -10.071 1.00 0.00 C ATOM 636 O GLN A 45 8.206 8.863 -9.452 1.00 0.00 O ATOM 637 CB GLN A 45 9.875 10.466 -11.646 1.00 0.00 C ATOM 638 CG GLN A 45 10.756 9.656 -10.693 1.00 0.00 C ATOM 639 CD GLN A 45 12.201 10.159 -10.721 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.480 11.310 -11.015 1.00 0.00 O ATOM 641 NE2 GLN A 45 13.102 9.234 -10.400 1.00 0.00 N ATOM 0 H GLN A 45 8.018 11.782 -12.631 1.00 0.00 H new ATOM 0 HA GLN A 45 8.313 9.064 -12.013 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.221 10.330 -12.671 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.966 11.528 -11.417 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.362 9.727 -9.679 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.728 8.603 -10.973 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.800 8.289 -10.164 1.00 0.00 H new ATOM 0 HE22 GLN A 45 14.094 9.470 -10.390 1.00 0.00 H new ATOM 650 N THR A 46 7.392 10.970 -9.558 1.00 0.00 N ATOM 651 CA THR A 46 6.938 10.982 -8.178 1.00 0.00 C ATOM 652 C THR A 46 5.802 9.976 -7.981 1.00 0.00 C ATOM 653 O THR A 46 5.792 9.230 -7.003 1.00 0.00 O ATOM 654 CB THR A 46 6.546 12.418 -7.823 1.00 0.00 C ATOM 655 OG1 THR A 46 7.123 12.627 -6.537 1.00 0.00 O ATOM 656 CG2 THR A 46 5.042 12.573 -7.586 1.00 0.00 C ATOM 0 H THR A 46 7.213 11.832 -10.073 1.00 0.00 H new ATOM 0 HA THR A 46 7.730 10.667 -7.498 1.00 0.00 H new ATOM 0 HB THR A 46 6.858 13.088 -8.624 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.919 13.535 -6.231 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.818 13.610 -7.338 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.500 12.291 -8.489 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.735 11.928 -6.762 1.00 0.00 H new ATOM 664 N THR A 47 4.873 9.989 -8.926 1.00 0.00 N ATOM 665 CA THR A 47 3.736 9.086 -8.868 1.00 0.00 C ATOM 666 C THR A 47 4.164 7.664 -9.235 1.00 0.00 C ATOM 667 O THR A 47 3.583 6.693 -8.752 1.00 0.00 O ATOM 668 CB THR A 47 2.642 9.646 -9.780 1.00 0.00 C ATOM 669 OG1 THR A 47 1.687 8.592 -9.864 1.00 0.00 O ATOM 670 CG2 THR A 47 3.120 9.831 -11.222 1.00 0.00 C ATOM 0 H THR A 47 4.884 10.610 -9.735 1.00 0.00 H new ATOM 0 HA THR A 47 3.335 9.019 -7.857 1.00 0.00 H new ATOM 0 HB THR A 47 2.296 10.602 -9.387 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.466 8.425 -10.804 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.306 10.230 -11.827 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.960 10.525 -11.241 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.435 8.869 -11.627 1.00 0.00 H new ATOM 678 N MET A 48 5.177 7.586 -10.086 1.00 0.00 N ATOM 679 CA MET A 48 5.689 6.299 -10.523 1.00 0.00 C ATOM 680 C MET A 48 6.350 5.549 -9.364 1.00 0.00 C ATOM 681 O MET A 48 6.173 4.340 -9.220 1.00 0.00 O ATOM 682 CB MET A 48 6.711 6.509 -11.642 1.00 0.00 C ATOM 683 CG MET A 48 6.595 5.413 -12.703 1.00 0.00 C ATOM 684 SD MET A 48 8.065 5.384 -13.715 1.00 0.00 S ATOM 685 CE MET A 48 7.383 4.744 -15.235 1.00 0.00 C ATOM 0 H MET A 48 5.657 8.393 -10.484 1.00 0.00 H new ATOM 0 HA MET A 48 4.853 5.702 -10.888 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.556 7.484 -12.103 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.718 6.511 -11.224 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.455 4.444 -12.223 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.718 5.590 -13.326 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.173 4.662 -15.982 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.951 3.760 -15.054 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.608 5.419 -15.599 1.00 0.00 H new ATOM 695 N PHE A 49 7.096 6.298 -8.566 1.00 0.00 N ATOM 696 CA PHE A 49 7.784 5.720 -7.424 1.00 0.00 C ATOM 697 C PHE A 49 6.805 5.430 -6.284 1.00 0.00 C ATOM 698 O PHE A 49 6.990 4.476 -5.529 1.00 0.00 O ATOM 699 CB PHE A 49 8.810 6.752 -6.949 1.00 0.00 C ATOM 700 CG PHE A 49 10.118 6.141 -6.443 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.155 5.521 -5.233 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.243 6.218 -7.202 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.369 4.954 -4.763 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.457 5.652 -6.732 1.00 0.00 C ATOM 705 CZ PHE A 49 12.495 5.031 -5.522 1.00 0.00 C ATOM 0 H PHE A 49 7.239 7.301 -8.688 1.00 0.00 H new ATOM 0 HA PHE A 49 8.256 4.780 -7.711 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.033 7.433 -7.771 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.367 7.349 -6.152 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.261 5.460 -4.630 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.213 6.710 -8.163 1.00 0.00 H new ATOM 0 HE1 PHE A 49 11.398 4.461 -3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.351 5.714 -7.335 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.418 4.600 -5.165 1.00 0.00 H new ATOM 715 N ILE A 50 5.785 6.271 -6.194 1.00 0.00 N ATOM 716 CA ILE A 50 4.777 6.117 -5.159 1.00 0.00 C ATOM 717 C ILE A 50 3.864 4.941 -5.514 1.00 0.00 C ATOM 718 O ILE A 50 3.413 4.213 -4.631 1.00 0.00 O ATOM 719 CB ILE A 50 4.028 7.433 -4.940 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.169 7.910 -3.493 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.563 7.307 -5.363 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.571 8.463 -3.232 1.00 0.00 C ATOM 0 H ILE A 50 5.635 7.061 -6.821 1.00 0.00 H new ATOM 0 HA ILE A 50 5.245 5.881 -4.203 1.00 0.00 H new ATOM 0 HB ILE A 50 4.481 8.194 -5.575 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.426 8.680 -3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.968 7.083 -2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.053 8.256 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.511 7.047 -6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.080 6.528 -4.773 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.644 8.795 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.310 7.683 -3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.759 9.306 -3.897 1.00 0.00 H new ATOM 734 N GLY A 51 3.618 4.794 -6.807 1.00 0.00 N ATOM 735 CA GLY A 51 2.767 3.719 -7.289 1.00 0.00 C ATOM 736 C GLY A 51 3.343 2.353 -6.914 1.00 0.00 C ATOM 737 O GLY A 51 2.648 1.520 -6.334 1.00 0.00 O ATOM 0 H GLY A 51 3.993 5.401 -7.536 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.768 3.824 -6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.664 3.789 -8.372 1.00 0.00 H new ATOM 741 N VAL A 52 4.608 2.164 -7.261 1.00 0.00 N ATOM 742 CA VAL A 52 5.286 0.913 -6.968 1.00 0.00 C ATOM 743 C VAL A 52 5.366 0.724 -5.452 1.00 0.00 C ATOM 744 O VAL A 52 5.042 -0.345 -4.938 1.00 0.00 O ATOM 745 CB VAL A 52 6.657 0.889 -7.647 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.380 -0.432 -7.376 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.530 1.147 -9.149 1.00 0.00 C ATOM 0 H VAL A 52 5.181 2.857 -7.743 1.00 0.00 H new ATOM 0 HA VAL A 52 4.724 0.071 -7.371 1.00 0.00 H new ATOM 0 HB VAL A 52 7.257 1.693 -7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.352 -0.423 -7.870 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.520 -0.557 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.784 -1.259 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.519 1.125 -9.607 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.904 0.376 -9.599 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.076 2.124 -9.313 1.00 0.00 H new ATOM 757 N ALA A 53 5.800 1.779 -4.778 1.00 0.00 N ATOM 758 CA ALA A 53 5.927 1.743 -3.331 1.00 0.00 C ATOM 759 C ALA A 53 4.605 1.274 -2.719 1.00 0.00 C ATOM 760 O ALA A 53 4.600 0.517 -1.750 1.00 0.00 O ATOM 761 CB ALA A 53 6.349 3.122 -2.821 1.00 0.00 C ATOM 0 H ALA A 53 6.068 2.664 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 53 6.699 1.034 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.444 3.095 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.307 3.396 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.597 3.859 -3.101 1.00 0.00 H new ATOM 767 N LEU A 54 3.517 1.744 -3.310 1.00 0.00 N ATOM 768 CA LEU A 54 2.192 1.383 -2.836 1.00 0.00 C ATOM 769 C LEU A 54 1.958 -0.110 -3.077 1.00 0.00 C ATOM 770 O LEU A 54 1.260 -0.765 -2.305 1.00 0.00 O ATOM 771 CB LEU A 54 1.131 2.283 -3.472 1.00 0.00 C ATOM 772 CG LEU A 54 0.210 1.614 -4.495 1.00 0.00 C ATOM 773 CD1 LEU A 54 -1.005 0.986 -3.810 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.196 2.599 -5.593 1.00 0.00 C ATOM 0 H LEU A 54 3.526 2.372 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 54 2.114 1.549 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.514 2.702 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.635 3.118 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 54 0.762 0.806 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.643 0.517 -4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.671 0.233 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.567 1.759 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.850 2.099 -6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.723 3.443 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.695 2.958 -6.107 1.00 0.00 H new ATOM 786 N VAL A 55 2.554 -0.603 -4.153 1.00 0.00 N ATOM 787 CA VAL A 55 2.419 -2.006 -4.506 1.00 0.00 C ATOM 788 C VAL A 55 3.235 -2.854 -3.528 1.00 0.00 C ATOM 789 O VAL A 55 2.918 -4.020 -3.298 1.00 0.00 O ATOM 790 CB VAL A 55 2.825 -2.219 -5.966 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.272 -3.663 -6.205 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.687 -1.834 -6.913 1.00 0.00 C ATOM 0 H VAL A 55 3.131 -0.056 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 55 1.380 -2.323 -4.422 1.00 0.00 H new ATOM 0 HB VAL A 55 3.672 -1.566 -6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.555 -3.788 -7.250 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.127 -3.889 -5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.453 -4.342 -5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.002 -1.995 -7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.813 -2.449 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.435 -0.783 -6.770 1.00 0.00 H new ATOM 802 N GLU A 56 4.271 -2.236 -2.979 1.00 0.00 N ATOM 803 CA GLU A 56 5.134 -2.920 -2.032 1.00 0.00 C ATOM 804 C GLU A 56 4.419 -3.093 -0.691 1.00 0.00 C ATOM 805 O GLU A 56 4.960 -3.702 0.231 1.00 0.00 O ATOM 806 CB GLU A 56 6.456 -2.170 -1.855 1.00 0.00 C ATOM 807 CG GLU A 56 7.529 -2.721 -2.796 1.00 0.00 C ATOM 808 CD GLU A 56 8.899 -2.117 -2.480 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.489 -2.549 -1.466 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.325 -1.236 -3.259 1.00 0.00 O ATOM 0 H GLU A 56 4.532 -1.269 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 56 5.365 -3.909 -2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.305 -1.109 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.793 -2.258 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.576 -3.806 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.260 -2.500 -3.829 1.00 0.00 H new ATOM 817 N ALA A 57 3.214 -2.547 -0.624 1.00 0.00 N ATOM 818 CA ALA A 57 2.419 -2.634 0.589 1.00 0.00 C ATOM 819 C ALA A 57 1.546 -3.890 0.533 1.00 0.00 C ATOM 820 O ALA A 57 0.999 -4.316 1.549 1.00 0.00 O ATOM 821 CB ALA A 57 1.592 -1.357 0.751 1.00 0.00 C ATOM 0 H ALA A 57 2.769 -2.042 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 57 3.063 -2.719 1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.996 -1.423 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.259 -0.497 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.931 -1.240 -0.108 1.00 0.00 H new ATOM 827 N LEU A 58 1.445 -4.448 -0.665 1.00 0.00 N ATOM 828 CA LEU A 58 0.649 -5.647 -0.866 1.00 0.00 C ATOM 829 C LEU A 58 1.358 -6.840 -0.223 1.00 0.00 C ATOM 830 O LEU A 58 0.765 -7.562 0.577 1.00 0.00 O ATOM 831 CB LEU A 58 0.342 -5.842 -2.352 1.00 0.00 C ATOM 832 CG LEU A 58 -1.110 -6.180 -2.699 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.081 -5.316 -1.893 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.355 -6.066 -4.205 1.00 0.00 C ATOM 0 H LEU A 58 1.901 -4.092 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.318 -5.549 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.619 -4.931 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.981 -6.639 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.295 -7.218 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.106 -5.576 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.926 -5.491 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.904 -4.264 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.394 -6.311 -4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.146 -5.047 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.700 -6.758 -4.734 1.00 0.00 H new ATOM 846 N PRO A 59 2.652 -7.014 -0.605 1.00 0.00 N ATOM 847 CA PRO A 59 3.449 -8.107 -0.075 1.00 0.00 C ATOM 848 C PRO A 59 3.877 -7.823 1.367 1.00 0.00 C ATOM 849 O PRO A 59 3.856 -8.717 2.212 1.00 0.00 O ATOM 850 CB PRO A 59 4.625 -8.236 -1.029 1.00 0.00 C ATOM 851 CG PRO A 59 4.692 -6.921 -1.789 1.00 0.00 C ATOM 852 CD PRO A 59 3.387 -6.178 -1.550 1.00 0.00 C ATOM 0 HA PRO A 59 2.895 -9.044 -0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.551 -8.420 -0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.484 -9.075 -1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.539 -6.325 -1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.839 -7.102 -2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.567 -5.183 -1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.831 -6.046 -2.478 1.00 0.00 H new ATOM 860 N ILE A 60 4.256 -6.575 1.603 1.00 0.00 N ATOM 861 CA ILE A 60 4.688 -6.163 2.927 1.00 0.00 C ATOM 862 C ILE A 60 3.628 -6.566 3.954 1.00 0.00 C ATOM 863 O ILE A 60 3.920 -7.298 4.899 1.00 0.00 O ATOM 864 CB ILE A 60 5.022 -4.670 2.941 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.434 -4.418 2.409 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.820 -4.076 4.337 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.793 -2.933 2.489 1.00 0.00 C ATOM 0 H ILE A 60 4.273 -5.837 0.900 1.00 0.00 H new ATOM 0 HA ILE A 60 5.610 -6.675 3.203 1.00 0.00 H new ATOM 0 HB ILE A 60 4.331 -4.159 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.153 -5.001 2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.503 -4.757 1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.064 -3.014 4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.781 -4.204 4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.471 -4.586 5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.802 -2.781 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.087 -2.355 1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.747 -2.603 3.527 1.00 0.00 H new ATOM 879 N ILE A 61 2.419 -6.071 3.734 1.00 0.00 N ATOM 880 CA ILE A 61 1.314 -6.371 4.629 1.00 0.00 C ATOM 881 C ILE A 61 1.076 -7.882 4.651 1.00 0.00 C ATOM 882 O ILE A 61 0.856 -8.464 5.712 1.00 0.00 O ATOM 883 CB ILE A 61 0.076 -5.559 4.241 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.364 -4.058 4.299 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.126 -5.946 5.105 1.00 0.00 C ATOM 886 CD1 ILE A 61 0.199 -3.523 5.723 1.00 0.00 C ATOM 0 H ILE A 61 2.180 -5.464 2.949 1.00 0.00 H new ATOM 0 HA ILE A 61 1.557 -6.072 5.649 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.179 -5.798 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.378 -3.865 3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.311 -3.528 3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.992 -5.355 4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.346 -7.005 4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.897 -5.755 6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.410 -2.454 5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.823 -3.696 6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.893 -4.038 6.388 1.00 0.00 H new ATOM 898 N GLY A 62 1.129 -8.474 3.467 1.00 0.00 N ATOM 899 CA GLY A 62 0.922 -9.907 3.337 1.00 0.00 C ATOM 900 C GLY A 62 1.836 -10.681 4.289 1.00 0.00 C ATOM 901 O GLY A 62 1.448 -11.721 4.819 1.00 0.00 O ATOM 0 H GLY A 62 1.312 -7.988 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.119 -10.149 3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.117 -10.215 2.310 1.00 0.00 H new ATOM 905 N VAL A 63 3.033 -10.144 4.477 1.00 0.00 N ATOM 906 CA VAL A 63 4.005 -10.772 5.356 1.00 0.00 C ATOM 907 C VAL A 63 3.582 -10.560 6.811 1.00 0.00 C ATOM 908 O VAL A 63 3.817 -11.418 7.661 1.00 0.00 O ATOM 909 CB VAL A 63 5.405 -10.234 5.057 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.343 -10.453 6.246 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.975 -10.867 3.786 1.00 0.00 C ATOM 0 H VAL A 63 3.352 -9.281 4.036 1.00 0.00 H new ATOM 0 HA VAL A 63 4.040 -11.847 5.180 1.00 0.00 H new ATOM 0 HB VAL A 63 5.322 -9.160 4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.332 -10.061 6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.949 -9.935 7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.417 -11.519 6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.971 -10.467 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.036 -11.948 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.325 -10.637 2.942 1.00 0.00 H new ATOM 921 N VAL A 64 2.965 -9.413 7.054 1.00 0.00 N ATOM 922 CA VAL A 64 2.507 -9.077 8.391 1.00 0.00 C ATOM 923 C VAL A 64 1.435 -10.079 8.825 1.00 0.00 C ATOM 924 O VAL A 64 1.570 -10.729 9.860 1.00 0.00 O ATOM 925 CB VAL A 64 2.021 -7.627 8.430 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.307 -7.323 9.748 1.00 0.00 C ATOM 927 CG2 VAL A 64 3.178 -6.655 8.195 1.00 0.00 C ATOM 0 H VAL A 64 2.771 -8.704 6.347 1.00 0.00 H new ATOM 0 HA VAL A 64 3.328 -9.149 9.105 1.00 0.00 H new ATOM 0 HB VAL A 64 1.302 -7.493 7.622 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.972 -6.286 9.749 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.446 -7.983 9.856 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.994 -7.483 10.579 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.805 -5.631 8.228 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.931 -6.792 8.971 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.623 -6.848 7.219 1.00 0.00 H new ATOM 937 N PHE A 65 0.394 -10.173 8.010 1.00 0.00 N ATOM 938 CA PHE A 65 -0.701 -11.084 8.296 1.00 0.00 C ATOM 939 C PHE A 65 -0.178 -12.488 8.610 1.00 0.00 C ATOM 940 O PHE A 65 -0.607 -13.112 9.579 1.00 0.00 O ATOM 941 CB PHE A 65 -1.572 -11.146 7.040 1.00 0.00 C ATOM 942 CG PHE A 65 -1.987 -12.563 6.639 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.854 -13.263 7.418 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.488 -13.122 5.504 1.00 0.00 C ATOM 945 CE1 PHE A 65 -3.239 -14.578 7.046 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.873 -14.437 5.132 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.741 -15.138 5.911 1.00 0.00 C ATOM 0 H PHE A 65 0.286 -9.633 7.151 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.261 -10.732 9.162 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.469 -10.548 7.203 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.030 -10.689 6.212 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.250 -12.819 8.319 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.799 -12.566 4.886 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.928 -15.134 7.665 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.477 -14.881 4.231 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.034 -16.138 5.628 1.00 0.00 H new ATOM 957 N SER A 66 0.740 -12.943 7.771 1.00 0.00 N ATOM 958 CA SER A 66 1.326 -14.261 7.946 1.00 0.00 C ATOM 959 C SER A 66 2.112 -14.314 9.257 1.00 0.00 C ATOM 960 O SER A 66 2.081 -15.321 9.963 1.00 0.00 O ATOM 961 CB SER A 66 2.234 -14.621 6.768 1.00 0.00 C ATOM 962 OG SER A 66 3.562 -14.137 6.950 1.00 0.00 O ATOM 0 H SER A 66 1.093 -12.423 6.968 1.00 0.00 H new ATOM 0 HA SER A 66 0.518 -14.992 7.984 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.256 -15.704 6.645 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.819 -14.205 5.850 1.00 0.00 H new ATOM 0 HG SER A 66 3.536 -13.177 7.145 1.00 0.00 H new ATOM 968 N PHE A 67 2.798 -13.218 9.544 1.00 0.00 N ATOM 969 CA PHE A 67 3.591 -13.127 10.759 1.00 0.00 C ATOM 970 C PHE A 67 2.703 -13.219 12.001 1.00 0.00 C ATOM 971 O PHE A 67 3.109 -13.777 13.019 1.00 0.00 O ATOM 972 CB PHE A 67 4.282 -11.763 10.740 1.00 0.00 C ATOM 973 CG PHE A 67 5.750 -11.814 10.311 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.092 -12.384 9.124 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.713 -11.291 11.116 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.454 -12.432 8.726 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.075 -11.339 10.717 1.00 0.00 C ATOM 978 CZ PHE A 67 8.417 -11.909 9.531 1.00 0.00 C ATOM 0 H PHE A 67 2.821 -12.385 8.956 1.00 0.00 H new ATOM 0 HA PHE A 67 4.309 -13.946 10.798 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.740 -11.102 10.064 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.220 -11.322 11.735 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.328 -12.800 8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.442 -10.839 12.059 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.725 -12.884 7.783 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.840 -10.922 11.356 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.453 -11.946 9.228 1.00 0.00 H new ATOM 988 N ILE A 68 1.507 -12.663 11.877 1.00 0.00 N ATOM 989 CA ILE A 68 0.557 -12.675 12.977 1.00 0.00 C ATOM 990 C ILE A 68 0.291 -14.121 13.398 1.00 0.00 C ATOM 991 O ILE A 68 0.471 -14.476 14.562 1.00 0.00 O ATOM 992 CB ILE A 68 -0.708 -11.901 12.602 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.604 -10.437 13.036 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.955 -12.580 13.170 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.690 -9.803 12.521 1.00 0.00 C ATOM 0 H ILE A 68 1.174 -12.201 11.031 1.00 0.00 H new ATOM 0 HA ILE A 68 0.971 -12.160 13.844 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.804 -11.909 11.516 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.461 -9.880 12.658 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.637 -10.373 14.124 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.840 -12.009 12.889 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.033 -13.591 12.770 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.882 -12.624 14.257 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.739 -8.763 12.843 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.546 -10.347 12.920 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.708 -9.847 11.432 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.135 -14.918 12.429 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.428 -16.318 12.685 1.00 0.00 C ATOM 1009 C TYR A 69 0.714 -16.986 13.453 1.00 0.00 C ATOM 1010 O TYR A 69 0.476 -17.728 14.405 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.559 -16.979 11.312 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.215 -18.361 11.346 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.329 -18.576 12.131 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -0.693 -19.392 10.592 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.947 -19.876 12.164 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -1.311 -20.693 10.625 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.407 -20.871 11.409 1.00 0.00 C ATOM 1018 OH TYR A 69 -2.990 -22.099 11.440 1.00 0.00 O ATOM 0 H TYR A 69 -0.284 -14.621 11.465 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.333 -16.417 13.285 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.142 -16.328 10.661 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.432 -17.070 10.868 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.738 -17.769 12.721 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.179 -19.224 9.977 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.819 -20.057 12.774 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.912 -21.509 10.040 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.498 -22.709 10.852 1.00 0.00 H new ATOM 1028 N LEU A 70 1.929 -16.698 13.011 1.00 0.00 N ATOM 1029 CA LEU A 70 3.109 -17.262 13.645 1.00 0.00 C ATOM 1030 C LEU A 70 3.097 -16.915 15.135 1.00 0.00 C ATOM 1031 O LEU A 70 3.776 -17.561 15.932 1.00 0.00 O ATOM 1032 CB LEU A 70 4.377 -16.807 12.919 1.00 0.00 C ATOM 1033 CG LEU A 70 5.530 -17.813 12.889 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.630 -18.492 11.522 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.846 -17.149 13.297 1.00 0.00 C ATOM 0 H LEU A 70 2.122 -16.082 12.222 1.00 0.00 H new ATOM 0 HA LEU A 70 3.098 -18.349 13.570 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.113 -16.556 11.892 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.733 -15.891 13.390 1.00 0.00 H new ATOM 0 HG LEU A 70 5.322 -18.593 13.621 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.457 -19.202 11.528 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.700 -19.020 11.309 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.804 -17.739 10.753 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.649 -17.885 13.268 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.073 -16.336 12.607 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.755 -16.752 14.308 1.00 0.00 H new ATOM 1047 N GLY A 71 2.317 -15.896 15.467 1.00 0.00 N ATOM 1048 CA GLY A 71 2.207 -15.456 16.847 1.00 0.00 C ATOM 1049 C GLY A 71 2.806 -14.059 17.026 1.00 0.00 C ATOM 1050 O GLY A 71 3.210 -13.690 18.128 1.00 0.00 O ATOM 0 H GLY A 71 1.755 -15.363 14.803 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.159 -15.448 17.147 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.720 -16.162 17.500 1.00 0.00 H new ATOM 1054 N ARG A 72 2.844 -13.321 15.927 1.00 0.00 N ATOM 1055 CA ARG A 72 3.386 -11.973 15.949 1.00 0.00 C ATOM 1056 C ARG A 72 2.281 -10.952 15.674 1.00 0.00 C ATOM 1057 O ARG A 72 2.034 -10.064 16.489 1.00 0.00 O ATOM 1058 CB ARG A 72 4.494 -11.808 14.906 1.00 0.00 C ATOM 1059 CG ARG A 72 5.558 -12.897 15.061 1.00 0.00 C ATOM 1060 CD ARG A 72 6.403 -12.664 16.315 1.00 0.00 C ATOM 1061 NE ARG A 72 7.791 -12.320 15.933 1.00 0.00 N ATOM 1062 CZ ARG A 72 8.741 -13.225 15.658 1.00 0.00 C ATOM 1063 NH1 ARG A 72 8.458 -14.533 15.721 1.00 0.00 N ATOM 1064 NH2 ARG A 72 9.973 -12.822 15.320 1.00 0.00 N ATOM 0 H ARG A 72 2.508 -13.631 15.015 1.00 0.00 H new ATOM 0 HA ARG A 72 3.806 -11.801 16.940 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.066 -11.853 13.905 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.955 -10.826 15.012 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.078 -13.874 15.118 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.202 -12.909 14.182 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.971 -11.860 16.910 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.399 -13.559 16.937 1.00 0.00 H new ATOM 0 HE ARG A 72 8.040 -11.333 15.875 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.520 -14.840 15.978 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.181 -15.222 15.512 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.189 -11.826 15.272 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.696 -13.511 15.111 1.00 0.00 H new TER 1078 ARG A 72