USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=9 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+ 140:sc= -1.16 (180deg=-3.29!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.047) USER MOD Single : A 28 SER OG : rot -48:sc= 0.92 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.363 K(o=-0.36,f=-4.3!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -140:sc= -1.19 USER MOD Single : A 48 MET CE :methyl 177:sc= 0 (180deg=-0.00345) USER MOD Single : A 66 SER OG : rot -54:sc= 0.749 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.318 -11.175 23.054 1.00 0.00 N ATOM 2 CA MET A 1 -3.631 -12.365 23.526 1.00 0.00 C ATOM 3 C MET A 1 -4.595 -13.549 23.633 1.00 0.00 C ATOM 4 O MET A 1 -5.250 -13.730 24.658 1.00 0.00 O ATOM 5 CB MET A 1 -3.011 -12.086 24.897 1.00 0.00 C ATOM 6 CG MET A 1 -1.814 -11.142 24.775 1.00 0.00 C ATOM 7 SD MET A 1 -0.938 -11.062 26.329 1.00 0.00 S ATOM 8 CE MET A 1 0.262 -12.359 26.075 1.00 0.00 C ATOM 0 H1 MET A 1 -3.970 -10.344 23.574 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.136 -11.049 22.038 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.341 -11.279 23.212 1.00 0.00 H new ATOM 0 HA MET A 1 -2.851 -12.620 22.809 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.760 -11.646 25.556 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.694 -13.023 25.355 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.145 -11.490 23.988 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.153 -10.147 24.488 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.897 -12.445 26.957 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.254 -13.304 25.906 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.877 -12.121 25.207 1.00 0.00 H new ATOM 18 N SER A 2 -4.650 -14.324 22.560 1.00 0.00 N ATOM 19 CA SER A 2 -5.522 -15.485 22.520 1.00 0.00 C ATOM 20 C SER A 2 -5.468 -16.133 21.135 1.00 0.00 C ATOM 21 O SER A 2 -4.513 -15.929 20.387 1.00 0.00 O ATOM 22 CB SER A 2 -6.962 -15.105 22.872 1.00 0.00 C ATOM 23 OG SER A 2 -7.513 -15.964 23.867 1.00 0.00 O ATOM 0 H SER A 2 -4.105 -14.171 21.712 1.00 0.00 H new ATOM 0 HA SER A 2 -5.172 -16.201 23.263 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.989 -14.075 23.227 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.578 -15.148 21.974 1.00 0.00 H new ATOM 0 HG SER A 2 -8.432 -15.688 24.065 1.00 0.00 H new ATOM 29 N LEU A 3 -6.506 -16.901 20.834 1.00 0.00 N ATOM 30 CA LEU A 3 -6.588 -17.579 19.552 1.00 0.00 C ATOM 31 C LEU A 3 -7.557 -16.823 18.641 1.00 0.00 C ATOM 32 O LEU A 3 -7.274 -16.617 17.462 1.00 0.00 O ATOM 33 CB LEU A 3 -6.951 -19.053 19.749 1.00 0.00 C ATOM 34 CG LEU A 3 -6.008 -19.863 20.640 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.793 -20.796 21.563 1.00 0.00 C ATOM 36 CD2 LEU A 3 -4.977 -20.621 19.801 1.00 0.00 C ATOM 0 H LEU A 3 -7.297 -17.068 21.456 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.617 -17.577 19.056 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.954 -19.106 20.173 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.993 -19.530 18.770 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.458 -19.169 21.276 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.099 -21.360 22.186 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.454 -20.207 22.199 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.386 -21.487 20.963 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.319 -21.189 20.459 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.490 -21.304 19.124 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.386 -19.911 19.222 1.00 0.00 H new ATOM 48 N GLY A 4 -8.681 -16.431 19.222 1.00 0.00 N ATOM 49 CA GLY A 4 -9.694 -15.702 18.478 1.00 0.00 C ATOM 50 C GLY A 4 -9.174 -14.329 18.044 1.00 0.00 C ATOM 51 O GLY A 4 -9.251 -13.976 16.868 1.00 0.00 O ATOM 0 H GLY A 4 -8.913 -16.605 20.200 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.990 -16.277 17.600 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.585 -15.579 19.094 1.00 0.00 H new ATOM 55 N VAL A 5 -8.656 -13.594 19.017 1.00 0.00 N ATOM 56 CA VAL A 5 -8.123 -12.269 18.750 1.00 0.00 C ATOM 57 C VAL A 5 -7.003 -12.373 17.713 1.00 0.00 C ATOM 58 O VAL A 5 -6.759 -11.431 16.961 1.00 0.00 O ATOM 59 CB VAL A 5 -7.669 -11.615 20.057 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.320 -12.175 20.511 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.611 -10.092 19.917 1.00 0.00 C ATOM 0 H VAL A 5 -8.594 -13.891 19.991 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.895 -11.624 18.330 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.406 -11.853 20.824 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.021 -11.693 21.442 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.407 -13.250 20.670 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.569 -11.982 19.745 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.286 -9.652 20.860 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.906 -9.826 19.130 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.600 -9.712 19.662 1.00 0.00 H new ATOM 71 N LEU A 6 -6.352 -13.527 17.706 1.00 0.00 N ATOM 72 CA LEU A 6 -5.263 -13.766 16.774 1.00 0.00 C ATOM 73 C LEU A 6 -5.807 -13.737 15.344 1.00 0.00 C ATOM 74 O LEU A 6 -5.284 -13.020 14.492 1.00 0.00 O ATOM 75 CB LEU A 6 -4.530 -15.062 17.127 1.00 0.00 C ATOM 76 CG LEU A 6 -3.297 -15.387 16.283 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.645 -16.692 16.744 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.644 -15.415 14.793 1.00 0.00 C ATOM 0 H LEU A 6 -6.558 -14.307 18.331 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.517 -12.975 16.848 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.227 -15.011 18.173 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.234 -15.890 17.039 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.565 -14.593 16.428 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.771 -16.900 16.127 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.340 -16.598 17.786 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.359 -17.510 16.648 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.750 -15.648 14.215 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.403 -16.176 14.610 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.027 -14.441 14.490 1.00 0.00 H new ATOM 90 N ALA A 7 -6.848 -14.526 15.125 1.00 0.00 N ATOM 91 CA ALA A 7 -7.468 -14.600 13.813 1.00 0.00 C ATOM 92 C ALA A 7 -7.850 -13.191 13.354 1.00 0.00 C ATOM 93 O ALA A 7 -7.807 -12.890 12.162 1.00 0.00 O ATOM 94 CB ALA A 7 -8.673 -15.541 13.870 1.00 0.00 C ATOM 0 H ALA A 7 -7.278 -15.120 15.834 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.770 -15.007 13.081 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.138 -15.597 12.886 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.344 -16.535 14.173 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.396 -15.163 14.592 1.00 0.00 H new ATOM 100 N ALA A 8 -8.215 -12.366 14.325 1.00 0.00 N ATOM 101 CA ALA A 8 -8.604 -10.996 14.035 1.00 0.00 C ATOM 102 C ALA A 8 -7.384 -10.218 13.538 1.00 0.00 C ATOM 103 O ALA A 8 -7.513 -9.318 12.709 1.00 0.00 O ATOM 104 CB ALA A 8 -9.227 -10.368 15.283 1.00 0.00 C ATOM 0 H ALA A 8 -8.250 -12.620 15.312 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.356 -10.969 13.246 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.519 -9.340 15.066 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.106 -10.941 15.578 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.500 -10.375 16.095 1.00 0.00 H new ATOM 110 N ALA A 9 -6.228 -10.594 14.064 1.00 0.00 N ATOM 111 CA ALA A 9 -4.986 -9.943 13.684 1.00 0.00 C ATOM 112 C ALA A 9 -4.639 -10.318 12.242 1.00 0.00 C ATOM 113 O ALA A 9 -4.007 -9.540 11.529 1.00 0.00 O ATOM 114 CB ALA A 9 -3.882 -10.333 14.669 1.00 0.00 C ATOM 0 H ALA A 9 -6.125 -11.341 14.750 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.093 -8.859 13.727 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.950 -9.844 14.384 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.163 -10.019 15.674 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.745 -11.414 14.652 1.00 0.00 H new ATOM 120 N ILE A 10 -5.068 -11.510 11.854 1.00 0.00 N ATOM 121 CA ILE A 10 -4.811 -11.998 10.510 1.00 0.00 C ATOM 122 C ILE A 10 -5.798 -11.347 9.539 1.00 0.00 C ATOM 123 O ILE A 10 -5.391 -10.737 8.551 1.00 0.00 O ATOM 124 CB ILE A 10 -4.838 -13.527 10.481 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.443 -14.105 10.730 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.445 -14.040 9.173 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.461 -15.097 11.895 1.00 0.00 C ATOM 0 H ILE A 10 -5.592 -12.153 12.448 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.810 -11.714 10.186 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.480 -13.872 11.292 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.086 -14.603 9.829 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.744 -13.297 10.946 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.452 -15.130 9.178 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.466 -13.671 9.076 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.850 -13.685 8.332 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.458 -15.493 12.051 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.796 -14.590 12.800 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.143 -15.916 11.665 1.00 0.00 H new ATOM 139 N ALA A 11 -7.076 -11.499 9.853 1.00 0.00 N ATOM 140 CA ALA A 11 -8.124 -10.933 9.020 1.00 0.00 C ATOM 141 C ALA A 11 -7.851 -9.443 8.806 1.00 0.00 C ATOM 142 O ALA A 11 -8.253 -8.875 7.792 1.00 0.00 O ATOM 143 CB ALA A 11 -9.486 -11.189 9.669 1.00 0.00 C ATOM 0 H ALA A 11 -7.410 -12.006 10.673 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.135 -11.410 8.040 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.272 -10.765 9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.644 -12.263 9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.513 -10.722 10.654 1.00 0.00 H new ATOM 149 N VAL A 12 -7.169 -8.854 9.777 1.00 0.00 N ATOM 150 CA VAL A 12 -6.837 -7.441 9.707 1.00 0.00 C ATOM 151 C VAL A 12 -5.734 -7.231 8.668 1.00 0.00 C ATOM 152 O VAL A 12 -5.882 -6.422 7.754 1.00 0.00 O ATOM 153 CB VAL A 12 -6.457 -6.923 11.095 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.325 -5.897 11.008 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.674 -6.336 11.814 1.00 0.00 C ATOM 0 H VAL A 12 -6.837 -9.329 10.616 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.702 -6.862 9.384 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.097 -7.769 11.680 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.075 -5.545 12.009 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.448 -6.360 10.557 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.645 -5.053 10.396 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.376 -5.975 12.798 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.077 -5.508 11.231 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.437 -7.106 11.926 1.00 0.00 H new ATOM 165 N GLY A 13 -4.651 -7.974 8.844 1.00 0.00 N ATOM 166 CA GLY A 13 -3.523 -7.880 7.933 1.00 0.00 C ATOM 167 C GLY A 13 -3.967 -8.097 6.485 1.00 0.00 C ATOM 168 O GLY A 13 -3.463 -7.444 5.573 1.00 0.00 O ATOM 0 H GLY A 13 -4.531 -8.644 9.604 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.053 -6.901 8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.771 -8.622 8.202 1.00 0.00 H new ATOM 172 N LEU A 14 -4.907 -9.017 6.320 1.00 0.00 N ATOM 173 CA LEU A 14 -5.425 -9.328 4.998 1.00 0.00 C ATOM 174 C LEU A 14 -6.224 -8.134 4.474 1.00 0.00 C ATOM 175 O LEU A 14 -6.213 -7.851 3.277 1.00 0.00 O ATOM 176 CB LEU A 14 -6.219 -10.635 5.029 1.00 0.00 C ATOM 177 CG LEU A 14 -7.371 -10.743 4.027 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.856 -10.667 2.589 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.196 -12.007 4.275 1.00 0.00 C ATOM 0 H LEU A 14 -5.323 -9.557 7.079 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.607 -9.495 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.530 -11.460 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.623 -10.768 6.033 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.035 -9.891 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.695 -10.746 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.347 -9.716 2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.159 -11.485 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.008 -12.060 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.558 -12.884 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.611 -11.979 5.283 1.00 0.00 H new ATOM 191 N GLY A 15 -6.900 -7.464 5.397 1.00 0.00 N ATOM 192 CA GLY A 15 -7.704 -6.307 5.043 1.00 0.00 C ATOM 193 C GLY A 15 -6.818 -5.123 4.650 1.00 0.00 C ATOM 194 O GLY A 15 -6.968 -4.564 3.564 1.00 0.00 O ATOM 0 H GLY A 15 -6.907 -7.701 6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.367 -6.560 4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.337 -6.028 5.885 1.00 0.00 H new ATOM 198 N ALA A 16 -5.913 -4.776 5.553 1.00 0.00 N ATOM 199 CA ALA A 16 -5.003 -3.669 5.314 1.00 0.00 C ATOM 200 C ALA A 16 -4.144 -3.977 4.086 1.00 0.00 C ATOM 201 O ALA A 16 -3.539 -3.077 3.505 1.00 0.00 O ATOM 202 CB ALA A 16 -4.160 -3.421 6.567 1.00 0.00 C ATOM 0 H ALA A 16 -5.790 -5.242 6.452 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.558 -2.754 5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.477 -2.590 6.388 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.815 -3.178 7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.587 -4.317 6.803 1.00 0.00 H new ATOM 208 N LEU A 17 -4.117 -5.252 3.726 1.00 0.00 N ATOM 209 CA LEU A 17 -3.343 -5.690 2.578 1.00 0.00 C ATOM 210 C LEU A 17 -4.004 -5.178 1.297 1.00 0.00 C ATOM 211 O LEU A 17 -3.384 -4.455 0.519 1.00 0.00 O ATOM 212 CB LEU A 17 -3.152 -7.208 2.607 1.00 0.00 C ATOM 213 CG LEU A 17 -2.876 -7.876 1.259 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.599 -8.716 1.313 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.082 -8.696 0.796 1.00 0.00 C ATOM 0 H LEU A 17 -4.619 -5.996 4.210 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.340 -5.265 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.325 -7.437 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.047 -7.659 3.037 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.715 -7.093 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.427 -9.179 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.753 -8.076 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.706 -9.492 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.859 -9.160 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.299 -9.471 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.948 -8.042 0.691 1.00 0.00 H new ATOM 227 N GLY A 18 -5.256 -5.574 1.116 1.00 0.00 N ATOM 228 CA GLY A 18 -6.008 -5.165 -0.057 1.00 0.00 C ATOM 229 C GLY A 18 -6.363 -3.678 0.010 1.00 0.00 C ATOM 230 O GLY A 18 -6.092 -2.929 -0.927 1.00 0.00 O ATOM 0 H GLY A 18 -5.768 -6.174 1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.423 -5.363 -0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.920 -5.757 -0.133 1.00 0.00 H new ATOM 234 N ALA A 19 -6.964 -3.296 1.127 1.00 0.00 N ATOM 235 CA ALA A 19 -7.358 -1.912 1.329 1.00 0.00 C ATOM 236 C ALA A 19 -6.125 -1.013 1.217 1.00 0.00 C ATOM 237 O ALA A 19 -6.186 0.058 0.617 1.00 0.00 O ATOM 238 CB ALA A 19 -8.061 -1.773 2.681 1.00 0.00 C ATOM 0 H ALA A 19 -7.188 -3.921 1.902 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.065 -1.598 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.356 -0.735 2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.946 -2.408 2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.381 -2.077 3.477 1.00 0.00 H new ATOM 244 N GLY A 20 -5.035 -1.483 1.806 1.00 0.00 N ATOM 245 CA GLY A 20 -3.790 -0.735 1.781 1.00 0.00 C ATOM 246 C GLY A 20 -3.400 -0.367 0.348 1.00 0.00 C ATOM 247 O GLY A 20 -3.045 0.778 0.072 1.00 0.00 O ATOM 0 H GLY A 20 -4.989 -2.372 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.894 0.171 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.997 -1.327 2.237 1.00 0.00 H new ATOM 251 N ILE A 21 -3.480 -1.359 -0.527 1.00 0.00 N ATOM 252 CA ILE A 21 -3.140 -1.154 -1.924 1.00 0.00 C ATOM 253 C ILE A 21 -4.185 -0.242 -2.570 1.00 0.00 C ATOM 254 O ILE A 21 -3.873 0.512 -3.490 1.00 0.00 O ATOM 255 CB ILE A 21 -2.971 -2.497 -2.638 1.00 0.00 C ATOM 256 CG1 ILE A 21 -1.677 -2.526 -3.454 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.197 -2.821 -3.495 1.00 0.00 C ATOM 258 CD1 ILE A 21 -1.967 -2.364 -4.947 1.00 0.00 C ATOM 0 H ILE A 21 -3.776 -2.307 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.178 -0.650 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.892 -3.278 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.014 -1.728 -3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.155 -3.467 -3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.051 -3.780 -3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.082 -2.872 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.333 -2.042 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.031 -2.388 -5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.610 -3.177 -5.283 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.467 -1.411 -5.119 1.00 0.00 H new ATOM 270 N GLY A 22 -5.405 -0.341 -2.062 1.00 0.00 N ATOM 271 CA GLY A 22 -6.498 0.466 -2.578 1.00 0.00 C ATOM 272 C GLY A 22 -6.319 1.938 -2.199 1.00 0.00 C ATOM 273 O GLY A 22 -6.706 2.828 -2.955 1.00 0.00 O ATOM 0 H GLY A 22 -5.661 -0.968 -1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.546 0.369 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.445 0.098 -2.183 1.00 0.00 H new ATOM 277 N ASN A 23 -5.734 2.147 -1.029 1.00 0.00 N ATOM 278 CA ASN A 23 -5.499 3.496 -0.541 1.00 0.00 C ATOM 279 C ASN A 23 -4.289 4.092 -1.263 1.00 0.00 C ATOM 280 O ASN A 23 -4.187 5.309 -1.410 1.00 0.00 O ATOM 281 CB ASN A 23 -5.201 3.494 0.960 1.00 0.00 C ATOM 282 CG ASN A 23 -5.329 4.902 1.546 1.00 0.00 C ATOM 283 OD1 ASN A 23 -4.412 5.437 2.146 1.00 0.00 O ATOM 284 ND2 ASN A 23 -6.514 5.469 1.338 1.00 0.00 N ATOM 0 H ASN A 23 -5.416 1.406 -0.405 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.397 4.084 -0.730 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.889 2.820 1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.194 3.114 1.134 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.699 6.409 1.689 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.238 4.964 0.827 1.00 0.00 H new ATOM 291 N GLY A 24 -3.403 3.207 -1.694 1.00 0.00 N ATOM 292 CA GLY A 24 -2.203 3.630 -2.397 1.00 0.00 C ATOM 293 C GLY A 24 -2.522 4.012 -3.843 1.00 0.00 C ATOM 294 O GLY A 24 -1.870 4.884 -4.417 1.00 0.00 O ATOM 0 H GLY A 24 -3.492 2.198 -1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.756 4.481 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.467 2.826 -2.383 1.00 0.00 H new ATOM 298 N LEU A 25 -3.525 3.342 -4.392 1.00 0.00 N ATOM 299 CA LEU A 25 -3.938 3.601 -5.761 1.00 0.00 C ATOM 300 C LEU A 25 -4.638 4.960 -5.830 1.00 0.00 C ATOM 301 O LEU A 25 -4.426 5.724 -6.769 1.00 0.00 O ATOM 302 CB LEU A 25 -4.786 2.444 -6.292 1.00 0.00 C ATOM 303 CG LEU A 25 -4.060 1.111 -6.481 1.00 0.00 C ATOM 304 CD1 LEU A 25 -5.004 -0.067 -6.234 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.399 1.037 -7.859 1.00 0.00 C ATOM 0 H LEU A 25 -4.064 2.620 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.069 3.657 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.620 2.287 -5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.212 2.742 -7.250 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.264 1.047 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.463 -1.003 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.387 -0.019 -5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.836 -0.020 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.890 0.079 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.160 1.133 -8.633 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.675 1.846 -7.959 1.00 0.00 H new ATOM 317 N ILE A 26 -5.458 5.219 -4.822 1.00 0.00 N ATOM 318 CA ILE A 26 -6.191 6.471 -4.756 1.00 0.00 C ATOM 319 C ILE A 26 -5.199 7.633 -4.658 1.00 0.00 C ATOM 320 O ILE A 26 -5.397 8.676 -5.279 1.00 0.00 O ATOM 321 CB ILE A 26 -7.211 6.436 -3.616 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.403 5.547 -3.974 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.647 7.850 -3.227 1.00 0.00 C ATOM 324 CD1 ILE A 26 -9.147 6.092 -5.194 1.00 0.00 C ATOM 0 H ILE A 26 -5.631 4.582 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.771 6.621 -5.667 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.732 5.995 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.057 4.534 -4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.084 5.487 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.372 7.797 -2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.778 8.422 -2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.102 8.340 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.990 5.441 -5.427 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.513 7.096 -4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.470 6.128 -6.047 1.00 0.00 H new ATOM 336 N VAL A 27 -4.154 7.412 -3.874 1.00 0.00 N ATOM 337 CA VAL A 27 -3.132 8.428 -3.687 1.00 0.00 C ATOM 338 C VAL A 27 -2.317 8.568 -4.975 1.00 0.00 C ATOM 339 O VAL A 27 -2.083 9.679 -5.448 1.00 0.00 O ATOM 340 CB VAL A 27 -2.271 8.085 -2.469 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.274 9.207 -2.170 1.00 0.00 C ATOM 342 CG2 VAL A 27 -3.143 7.786 -1.248 1.00 0.00 C ATOM 0 H VAL A 27 -3.993 6.545 -3.361 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.588 9.397 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.703 7.185 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.674 8.939 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.621 9.352 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.816 10.131 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.507 7.545 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.750 8.660 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.795 6.939 -1.465 1.00 0.00 H new ATOM 352 N SER A 28 -1.908 7.425 -5.505 1.00 0.00 N ATOM 353 CA SER A 28 -1.124 7.406 -6.729 1.00 0.00 C ATOM 354 C SER A 28 -1.876 8.137 -7.843 1.00 0.00 C ATOM 355 O SER A 28 -1.260 8.697 -8.748 1.00 0.00 O ATOM 356 CB SER A 28 -0.805 5.972 -7.156 1.00 0.00 C ATOM 357 OG SER A 28 -1.850 5.403 -7.939 1.00 0.00 O ATOM 0 H SER A 28 -2.104 6.505 -5.110 1.00 0.00 H new ATOM 0 HA SER A 28 -0.181 7.918 -6.539 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.123 5.962 -7.728 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.640 5.358 -6.270 1.00 0.00 H new ATOM 0 HG SER A 28 -2.711 5.556 -7.496 1.00 0.00 H new ATOM 363 N ARG A 29 -3.197 8.106 -7.740 1.00 0.00 N ATOM 364 CA ARG A 29 -4.039 8.759 -8.728 1.00 0.00 C ATOM 365 C ARG A 29 -4.065 10.270 -8.489 1.00 0.00 C ATOM 366 O ARG A 29 -4.167 11.050 -9.434 1.00 0.00 O ATOM 367 CB ARG A 29 -5.469 8.217 -8.677 1.00 0.00 C ATOM 368 CG ARG A 29 -6.132 8.289 -10.054 1.00 0.00 C ATOM 369 CD ARG A 29 -6.630 9.705 -10.349 1.00 0.00 C ATOM 370 NE ARG A 29 -8.109 9.723 -10.396 1.00 0.00 N ATOM 371 CZ ARG A 29 -8.834 10.756 -10.845 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.221 11.862 -11.289 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.172 10.684 -10.851 1.00 0.00 N ATOM 0 H ARG A 29 -3.704 7.639 -6.988 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.618 8.551 -9.712 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.458 7.184 -8.328 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.054 8.790 -7.958 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.420 7.983 -10.821 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.967 7.590 -10.097 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.274 10.392 -9.581 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.224 10.051 -11.299 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.608 8.897 -10.066 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.202 11.917 -11.285 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.773 12.649 -11.631 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.639 9.842 -10.514 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.724 11.471 -11.193 1.00 0.00 H new ATOM 387 N THR A 30 -3.972 10.637 -7.219 1.00 0.00 N ATOM 388 CA THR A 30 -3.984 12.041 -6.843 1.00 0.00 C ATOM 389 C THR A 30 -2.663 12.708 -7.232 1.00 0.00 C ATOM 390 O THR A 30 -2.658 13.791 -7.814 1.00 0.00 O ATOM 391 CB THR A 30 -4.291 12.127 -5.347 1.00 0.00 C ATOM 392 OG1 THR A 30 -5.175 13.240 -5.238 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.071 12.539 -4.521 1.00 0.00 C ATOM 0 H THR A 30 -3.888 9.987 -6.438 1.00 0.00 H new ATOM 0 HA THR A 30 -4.759 12.588 -7.380 1.00 0.00 H new ATOM 0 HB THR A 30 -4.658 11.162 -4.996 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.427 13.367 -4.299 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.344 12.585 -3.467 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.275 11.807 -4.658 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.724 13.519 -4.849 1.00 0.00 H new ATOM 401 N ILE A 31 -1.574 12.033 -6.894 1.00 0.00 N ATOM 402 CA ILE A 31 -0.250 12.546 -7.200 1.00 0.00 C ATOM 403 C ILE A 31 -0.135 12.782 -8.708 1.00 0.00 C ATOM 404 O ILE A 31 0.299 13.848 -9.142 1.00 0.00 O ATOM 405 CB ILE A 31 0.828 11.617 -6.639 1.00 0.00 C ATOM 406 CG1 ILE A 31 2.228 12.155 -6.944 1.00 0.00 C ATOM 407 CG2 ILE A 31 0.640 10.187 -7.149 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.681 13.145 -5.869 1.00 0.00 C ATOM 0 H ILE A 31 -1.582 11.135 -6.411 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.093 13.509 -6.713 1.00 0.00 H new ATOM 0 HB ILE A 31 0.723 11.588 -5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.935 11.327 -7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.229 12.644 -7.918 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.420 9.548 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.337 9.816 -6.839 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.703 10.178 -8.237 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.679 13.512 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.985 13.983 -5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.702 12.646 -4.900 1.00 0.00 H new ATOM 420 N GLU A 32 -0.531 11.769 -9.464 1.00 0.00 N ATOM 421 CA GLU A 32 -0.478 11.852 -10.914 1.00 0.00 C ATOM 422 C GLU A 32 -1.422 12.945 -11.418 1.00 0.00 C ATOM 423 O GLU A 32 -1.215 13.500 -12.496 1.00 0.00 O ATOM 424 CB GLU A 32 -0.811 10.502 -11.553 1.00 0.00 C ATOM 425 CG GLU A 32 -2.318 10.357 -11.773 1.00 0.00 C ATOM 426 CD GLU A 32 -2.682 10.580 -13.242 1.00 0.00 C ATOM 427 OE1 GLU A 32 -2.326 11.661 -13.757 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.309 9.663 -13.817 1.00 0.00 O ATOM 0 H GLU A 32 -0.890 10.886 -9.100 1.00 0.00 H new ATOM 0 HA GLU A 32 0.539 12.114 -11.207 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.290 10.408 -12.506 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.454 9.695 -10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.641 9.363 -11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.851 11.075 -11.150 1.00 0.00 H new ATOM 435 N GLY A 33 -2.438 13.222 -10.614 1.00 0.00 N ATOM 436 CA GLY A 33 -3.414 14.239 -10.965 1.00 0.00 C ATOM 437 C GLY A 33 -2.761 15.620 -11.052 1.00 0.00 C ATOM 438 O GLY A 33 -3.077 16.405 -11.944 1.00 0.00 O ATOM 0 H GLY A 33 -2.606 12.760 -9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.876 13.990 -11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.210 14.256 -10.221 1.00 0.00 H new ATOM 442 N ILE A 34 -1.861 15.873 -10.114 1.00 0.00 N ATOM 443 CA ILE A 34 -1.160 17.145 -10.073 1.00 0.00 C ATOM 444 C ILE A 34 0.036 17.094 -11.026 1.00 0.00 C ATOM 445 O ILE A 34 0.385 18.099 -11.644 1.00 0.00 O ATOM 446 CB ILE A 34 -0.785 17.505 -8.634 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.480 16.765 -8.195 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.956 17.252 -7.683 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.682 17.710 -8.152 1.00 0.00 C ATOM 0 H ILE A 34 -1.601 15.219 -9.376 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.810 17.949 -10.419 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.563 18.572 -8.596 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.324 16.324 -7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.683 15.944 -8.883 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.663 17.516 -6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.808 17.861 -7.985 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.233 16.198 -7.719 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.568 17.158 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.850 18.130 -9.144 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.486 18.516 -7.445 1.00 0.00 H new ATOM 461 N ALA A 35 0.632 15.914 -11.114 1.00 0.00 N ATOM 462 CA ALA A 35 1.781 15.719 -11.981 1.00 0.00 C ATOM 463 C ALA A 35 1.394 16.063 -13.420 1.00 0.00 C ATOM 464 O ALA A 35 2.261 16.273 -14.267 1.00 0.00 O ATOM 465 CB ALA A 35 2.288 14.282 -11.841 1.00 0.00 C ATOM 0 H ALA A 35 0.340 15.083 -10.599 1.00 0.00 H new ATOM 0 HA ALA A 35 2.596 16.382 -11.692 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.150 14.135 -12.492 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.578 14.098 -10.807 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.497 13.588 -12.125 1.00 0.00 H new ATOM 471 N ARG A 36 0.090 16.110 -13.653 1.00 0.00 N ATOM 472 CA ARG A 36 -0.423 16.426 -14.975 1.00 0.00 C ATOM 473 C ARG A 36 0.186 17.735 -15.483 1.00 0.00 C ATOM 474 O ARG A 36 0.629 17.815 -16.627 1.00 0.00 O ATOM 475 CB ARG A 36 -1.947 16.553 -14.959 1.00 0.00 C ATOM 476 CG ARG A 36 -2.613 15.180 -15.063 1.00 0.00 C ATOM 477 CD ARG A 36 -4.138 15.308 -15.068 1.00 0.00 C ATOM 478 NE ARG A 36 -4.648 15.237 -16.455 1.00 0.00 N ATOM 479 CZ ARG A 36 -5.874 15.629 -16.826 1.00 0.00 C ATOM 480 NH1 ARG A 36 -6.724 16.123 -15.915 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.251 15.528 -18.108 1.00 0.00 N ATOM 0 H ARG A 36 -0.626 15.934 -12.948 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.145 15.610 -15.642 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.265 17.046 -14.040 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.272 17.182 -15.788 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.284 14.680 -15.974 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.300 14.556 -14.226 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.580 14.512 -14.468 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.433 16.253 -14.611 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.027 14.866 -17.174 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.437 16.200 -14.939 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.658 16.421 -16.198 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.604 15.152 -18.802 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.185 15.827 -18.390 1.00 0.00 H new ATOM 495 N GLN A 37 0.188 18.728 -14.606 1.00 0.00 N ATOM 496 CA GLN A 37 0.735 20.029 -14.950 1.00 0.00 C ATOM 497 C GLN A 37 2.037 19.866 -15.738 1.00 0.00 C ATOM 498 O GLN A 37 2.627 18.787 -15.752 1.00 0.00 O ATOM 499 CB GLN A 37 0.954 20.881 -13.699 1.00 0.00 C ATOM 500 CG GLN A 37 -0.215 21.842 -13.477 1.00 0.00 C ATOM 501 CD GLN A 37 0.265 23.157 -12.859 1.00 0.00 C ATOM 502 OE1 GLN A 37 1.242 23.210 -12.132 1.00 0.00 O ATOM 503 NE2 GLN A 37 -0.476 24.212 -13.189 1.00 0.00 N ATOM 0 H GLN A 37 -0.181 18.658 -13.658 1.00 0.00 H new ATOM 0 HA GLN A 37 0.014 20.549 -15.581 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.067 20.234 -12.829 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.880 21.447 -13.798 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.711 22.042 -14.427 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.953 21.377 -12.824 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.282 24.097 -13.803 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.238 25.136 -12.828 1.00 0.00 H new ATOM 512 N PRO A 38 2.457 20.983 -16.391 1.00 0.00 N ATOM 513 CA PRO A 38 3.679 20.974 -17.178 1.00 0.00 C ATOM 514 C PRO A 38 4.913 20.995 -16.275 1.00 0.00 C ATOM 515 O PRO A 38 5.698 20.047 -16.268 1.00 0.00 O ATOM 516 CB PRO A 38 3.578 22.197 -18.074 1.00 0.00 C ATOM 517 CG PRO A 38 2.533 23.098 -17.434 1.00 0.00 C ATOM 518 CD PRO A 38 1.784 22.278 -16.396 1.00 0.00 C ATOM 0 HA PRO A 38 3.789 20.068 -17.774 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.539 22.706 -18.150 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.285 21.917 -19.086 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.007 23.962 -16.968 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.845 23.480 -18.188 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.825 22.749 -15.414 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.731 22.176 -16.657 1.00 0.00 H new ATOM 526 N GLU A 39 5.047 22.085 -15.534 1.00 0.00 N ATOM 527 CA GLU A 39 6.173 22.242 -14.630 1.00 0.00 C ATOM 528 C GLU A 39 6.307 21.012 -13.730 1.00 0.00 C ATOM 529 O GLU A 39 7.377 20.752 -13.182 1.00 0.00 O ATOM 530 CB GLU A 39 6.034 23.518 -13.797 1.00 0.00 C ATOM 531 CG GLU A 39 7.374 23.914 -13.172 1.00 0.00 C ATOM 532 CD GLU A 39 7.240 24.100 -11.659 1.00 0.00 C ATOM 533 OE1 GLU A 39 6.692 25.151 -11.263 1.00 0.00 O ATOM 534 OE2 GLU A 39 7.689 23.186 -10.934 1.00 0.00 O ATOM 0 H GLU A 39 4.394 22.868 -15.541 1.00 0.00 H new ATOM 0 HA GLU A 39 7.081 22.333 -15.225 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.668 24.329 -14.426 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.294 23.365 -13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.119 23.147 -13.383 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.732 24.838 -13.625 1.00 0.00 H new ATOM 541 N LEU A 40 5.205 20.286 -13.607 1.00 0.00 N ATOM 542 CA LEU A 40 5.186 19.089 -12.783 1.00 0.00 C ATOM 543 C LEU A 40 5.369 17.859 -13.674 1.00 0.00 C ATOM 544 O LEU A 40 4.827 16.793 -13.386 1.00 0.00 O ATOM 545 CB LEU A 40 3.916 19.047 -11.930 1.00 0.00 C ATOM 546 CG LEU A 40 3.776 20.152 -10.881 1.00 0.00 C ATOM 547 CD1 LEU A 40 3.817 21.535 -11.533 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.513 19.952 -10.040 1.00 0.00 C ATOM 0 H LEU A 40 4.319 20.504 -14.064 1.00 0.00 H new ATOM 0 HA LEU A 40 6.017 19.098 -12.077 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.054 19.093 -12.595 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.875 18.084 -11.422 1.00 0.00 H new ATOM 0 HG LEU A 40 4.628 20.090 -10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.715 22.302 -10.765 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.767 21.664 -12.052 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.998 21.625 -12.247 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.437 20.751 -9.302 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.637 19.973 -10.688 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.564 18.990 -9.530 1.00 0.00 H new ATOM 560 N ARG A 41 6.135 18.048 -14.739 1.00 0.00 N ATOM 561 CA ARG A 41 6.397 16.967 -15.674 1.00 0.00 C ATOM 562 C ARG A 41 7.183 15.849 -14.986 1.00 0.00 C ATOM 563 O ARG A 41 6.922 14.670 -15.218 1.00 0.00 O ATOM 564 CB ARG A 41 7.187 17.466 -16.885 1.00 0.00 C ATOM 565 CG ARG A 41 7.865 16.304 -17.614 1.00 0.00 C ATOM 566 CD ARG A 41 6.833 15.285 -18.100 1.00 0.00 C ATOM 567 NE ARG A 41 6.416 15.607 -19.483 1.00 0.00 N ATOM 568 CZ ARG A 41 5.851 14.727 -20.321 1.00 0.00 C ATOM 569 NH1 ARG A 41 5.633 13.466 -19.922 1.00 0.00 N ATOM 570 NH2 ARG A 41 5.505 15.108 -21.558 1.00 0.00 N ATOM 0 H ARG A 41 6.582 18.934 -14.975 1.00 0.00 H new ATOM 0 HA ARG A 41 5.436 16.583 -16.015 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.519 17.989 -17.569 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.939 18.186 -16.562 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.433 16.684 -18.463 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.576 15.817 -16.947 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.256 14.281 -18.063 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.966 15.290 -17.439 1.00 0.00 H new ATOM 0 HE ARG A 41 6.568 16.558 -19.819 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.897 13.176 -18.980 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.203 12.796 -20.560 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.672 16.067 -21.861 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.075 14.439 -22.196 1.00 0.00 H new ATOM 584 N PRO A 42 8.154 16.270 -14.132 1.00 0.00 N ATOM 585 CA PRO A 42 8.979 15.318 -13.409 1.00 0.00 C ATOM 586 C PRO A 42 8.199 14.677 -12.260 1.00 0.00 C ATOM 587 O PRO A 42 8.576 13.617 -11.764 1.00 0.00 O ATOM 588 CB PRO A 42 10.181 16.119 -12.936 1.00 0.00 C ATOM 589 CG PRO A 42 9.764 17.579 -13.008 1.00 0.00 C ATOM 590 CD PRO A 42 8.490 17.659 -13.833 1.00 0.00 C ATOM 0 HA PRO A 42 9.295 14.479 -14.029 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.459 15.842 -11.919 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.049 15.929 -13.567 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.597 17.978 -12.008 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.552 18.179 -13.463 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.690 18.150 -13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.645 18.234 -14.746 1.00 0.00 H new ATOM 598 N VAL A 43 7.124 15.347 -11.871 1.00 0.00 N ATOM 599 CA VAL A 43 6.287 14.856 -10.790 1.00 0.00 C ATOM 600 C VAL A 43 5.763 13.464 -11.149 1.00 0.00 C ATOM 601 O VAL A 43 5.486 12.654 -10.265 1.00 0.00 O ATOM 602 CB VAL A 43 5.169 15.858 -10.497 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.185 15.297 -9.468 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.742 17.199 -10.033 1.00 0.00 C ATOM 0 H VAL A 43 6.814 16.226 -12.285 1.00 0.00 H new ATOM 0 HA VAL A 43 6.867 14.759 -9.872 1.00 0.00 H new ATOM 0 HB VAL A 43 4.622 16.030 -11.424 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.400 16.029 -9.278 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.740 14.380 -9.853 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.713 15.082 -8.539 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.926 17.893 -9.831 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.325 17.051 -9.124 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.384 17.610 -10.813 1.00 0.00 H new ATOM 614 N LEU A 44 5.642 13.228 -12.447 1.00 0.00 N ATOM 615 CA LEU A 44 5.156 11.948 -12.933 1.00 0.00 C ATOM 616 C LEU A 44 6.000 10.824 -12.329 1.00 0.00 C ATOM 617 O LEU A 44 5.462 9.872 -11.766 1.00 0.00 O ATOM 618 CB LEU A 44 5.119 11.935 -14.463 1.00 0.00 C ATOM 619 CG LEU A 44 3.732 11.825 -15.099 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.792 12.113 -16.600 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.099 10.464 -14.802 1.00 0.00 C ATOM 0 H LEU A 44 5.872 13.902 -13.177 1.00 0.00 H new ATOM 0 HA LEU A 44 4.128 11.784 -12.611 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.592 12.847 -14.826 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.725 11.100 -14.814 1.00 0.00 H new ATOM 0 HG LEU A 44 3.090 12.584 -14.651 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.793 12.028 -17.027 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.171 13.122 -16.762 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.455 11.395 -17.082 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.114 10.412 -15.265 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.732 9.673 -15.205 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.000 10.336 -13.724 1.00 0.00 H new ATOM 633 N GLN A 45 7.310 10.971 -12.467 1.00 0.00 N ATOM 634 CA GLN A 45 8.234 9.980 -11.942 1.00 0.00 C ATOM 635 C GLN A 45 8.002 9.780 -10.443 1.00 0.00 C ATOM 636 O GLN A 45 8.265 8.704 -9.909 1.00 0.00 O ATOM 637 CB GLN A 45 9.684 10.378 -12.225 1.00 0.00 C ATOM 638 CG GLN A 45 10.659 9.414 -11.547 1.00 0.00 C ATOM 639 CD GLN A 45 12.057 9.527 -12.160 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.670 10.581 -12.181 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.524 8.384 -12.656 1.00 0.00 N ATOM 0 H GLN A 45 7.753 11.762 -12.935 1.00 0.00 H new ATOM 0 HA GLN A 45 8.047 9.033 -12.448 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.860 10.383 -13.301 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.863 11.392 -11.868 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.707 9.631 -10.480 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.295 8.392 -11.649 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.958 7.537 -12.605 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.448 8.355 -13.087 1.00 0.00 H new ATOM 650 N THR A 46 7.513 10.835 -9.806 1.00 0.00 N ATOM 651 CA THR A 46 7.243 10.788 -8.379 1.00 0.00 C ATOM 652 C THR A 46 6.130 9.783 -8.080 1.00 0.00 C ATOM 653 O THR A 46 6.268 8.945 -7.190 1.00 0.00 O ATOM 654 CB THR A 46 6.921 12.209 -7.913 1.00 0.00 C ATOM 655 OG1 THR A 46 7.715 12.379 -6.742 1.00 0.00 O ATOM 656 CG2 THR A 46 5.482 12.348 -7.411 1.00 0.00 C ATOM 0 H THR A 46 7.297 11.727 -10.252 1.00 0.00 H new ATOM 0 HA THR A 46 8.112 10.437 -7.823 1.00 0.00 H new ATOM 0 HB THR A 46 7.089 12.907 -8.733 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.569 13.276 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.305 13.375 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.790 12.093 -8.214 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.324 11.675 -6.569 1.00 0.00 H new ATOM 664 N THR A 47 5.050 9.900 -8.839 1.00 0.00 N ATOM 665 CA THR A 47 3.914 9.012 -8.666 1.00 0.00 C ATOM 666 C THR A 47 4.273 7.593 -9.110 1.00 0.00 C ATOM 667 O THR A 47 3.746 6.618 -8.575 1.00 0.00 O ATOM 668 CB THR A 47 2.728 9.606 -9.429 1.00 0.00 C ATOM 669 OG1 THR A 47 1.714 8.611 -9.325 1.00 0.00 O ATOM 670 CG2 THR A 47 2.994 9.712 -10.932 1.00 0.00 C ATOM 0 H THR A 47 4.938 10.597 -9.575 1.00 0.00 H new ATOM 0 HA THR A 47 3.634 8.929 -7.616 1.00 0.00 H new ATOM 0 HB THR A 47 2.498 10.594 -9.030 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.237 8.539 -10.178 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.122 10.139 -11.427 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.859 10.353 -11.104 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.191 8.720 -11.337 1.00 0.00 H new ATOM 678 N MET A 48 5.167 7.521 -10.085 1.00 0.00 N ATOM 679 CA MET A 48 5.603 6.237 -10.608 1.00 0.00 C ATOM 680 C MET A 48 6.183 5.361 -9.496 1.00 0.00 C ATOM 681 O MET A 48 5.865 4.176 -9.405 1.00 0.00 O ATOM 682 CB MET A 48 6.664 6.460 -11.689 1.00 0.00 C ATOM 683 CG MET A 48 6.037 6.440 -13.084 1.00 0.00 C ATOM 684 SD MET A 48 7.117 7.252 -14.250 1.00 0.00 S ATOM 685 CE MET A 48 6.053 7.292 -15.683 1.00 0.00 C ATOM 0 H MET A 48 5.602 8.331 -10.527 1.00 0.00 H new ATOM 0 HA MET A 48 4.739 5.726 -11.034 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.162 7.416 -11.524 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.428 5.686 -11.619 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.858 5.411 -13.397 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.069 6.940 -13.064 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.556 7.818 -16.495 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.826 6.273 -15.996 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.127 7.810 -15.434 1.00 0.00 H new ATOM 695 N PHE A 49 7.024 5.977 -8.678 1.00 0.00 N ATOM 696 CA PHE A 49 7.651 5.267 -7.576 1.00 0.00 C ATOM 697 C PHE A 49 6.655 5.031 -6.439 1.00 0.00 C ATOM 698 O PHE A 49 6.734 4.022 -5.740 1.00 0.00 O ATOM 699 CB PHE A 49 8.790 6.151 -7.066 1.00 0.00 C ATOM 700 CG PHE A 49 9.523 5.581 -5.849 1.00 0.00 C ATOM 701 CD1 PHE A 49 8.934 5.614 -4.624 1.00 0.00 C ATOM 702 CD2 PHE A 49 10.763 5.042 -5.994 1.00 0.00 C ATOM 703 CE1 PHE A 49 9.614 5.085 -3.495 1.00 0.00 C ATOM 704 CE2 PHE A 49 11.443 4.513 -4.865 1.00 0.00 C ATOM 705 CZ PHE A 49 10.854 4.546 -3.639 1.00 0.00 C ATOM 0 H PHE A 49 7.286 6.960 -8.756 1.00 0.00 H new ATOM 0 HA PHE A 49 8.011 4.295 -7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.508 6.302 -7.872 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.388 7.131 -6.809 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.949 6.042 -4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.230 5.016 -6.967 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.146 5.111 -2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.428 4.084 -4.980 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.371 4.144 -2.780 1.00 0.00 H new ATOM 715 N ILE A 50 5.741 5.978 -6.289 1.00 0.00 N ATOM 716 CA ILE A 50 4.731 5.886 -5.249 1.00 0.00 C ATOM 717 C ILE A 50 3.805 4.706 -5.547 1.00 0.00 C ATOM 718 O ILE A 50 3.397 3.986 -4.636 1.00 0.00 O ATOM 719 CB ILE A 50 3.998 7.220 -5.094 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.011 7.687 -3.637 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.577 7.133 -5.655 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.398 8.196 -3.237 1.00 0.00 C ATOM 0 H ILE A 50 5.679 6.813 -6.871 1.00 0.00 H new ATOM 0 HA ILE A 50 5.196 5.691 -4.283 1.00 0.00 H new ATOM 0 HB ILE A 50 4.530 7.972 -5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.275 8.479 -3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.720 6.864 -2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.078 8.094 -5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.619 6.878 -6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.021 6.364 -5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.380 8.522 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.127 7.394 -3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.676 9.035 -3.875 1.00 0.00 H new ATOM 734 N GLY A 51 3.498 4.544 -6.826 1.00 0.00 N ATOM 735 CA GLY A 51 2.627 3.463 -7.255 1.00 0.00 C ATOM 736 C GLY A 51 3.243 2.100 -6.932 1.00 0.00 C ATOM 737 O GLY A 51 2.601 1.257 -6.307 1.00 0.00 O ATOM 0 H GLY A 51 3.837 5.143 -7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.659 3.554 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.448 3.540 -8.327 1.00 0.00 H new ATOM 741 N VAL A 52 4.481 1.927 -7.371 1.00 0.00 N ATOM 742 CA VAL A 52 5.191 0.681 -7.136 1.00 0.00 C ATOM 743 C VAL A 52 5.247 0.408 -5.631 1.00 0.00 C ATOM 744 O VAL A 52 4.901 -0.684 -5.182 1.00 0.00 O ATOM 745 CB VAL A 52 6.575 0.737 -7.785 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.252 -0.634 -7.752 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.488 1.271 -9.216 1.00 0.00 C ATOM 0 H VAL A 52 5.011 2.629 -7.888 1.00 0.00 H new ATOM 0 HA VAL A 52 4.663 -0.153 -7.599 1.00 0.00 H new ATOM 0 HB VAL A 52 7.189 1.427 -7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.234 -0.566 -8.220 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.364 -0.960 -6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.641 -1.355 -8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.485 1.301 -9.655 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.850 0.617 -9.810 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.067 2.276 -9.204 1.00 0.00 H new ATOM 757 N ALA A 53 5.687 1.417 -4.894 1.00 0.00 N ATOM 758 CA ALA A 53 5.793 1.299 -3.450 1.00 0.00 C ATOM 759 C ALA A 53 4.439 0.877 -2.876 1.00 0.00 C ATOM 760 O ALA A 53 4.377 0.065 -1.954 1.00 0.00 O ATOM 761 CB ALA A 53 6.287 2.623 -2.864 1.00 0.00 C ATOM 0 H ALA A 53 5.974 2.321 -5.270 1.00 0.00 H new ATOM 0 HA ALA A 53 6.519 0.532 -3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.366 2.534 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.265 2.863 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.582 3.416 -3.112 1.00 0.00 H new ATOM 767 N LEU A 54 3.387 1.446 -3.446 1.00 0.00 N ATOM 768 CA LEU A 54 2.038 1.139 -3.003 1.00 0.00 C ATOM 769 C LEU A 54 1.745 -0.340 -3.263 1.00 0.00 C ATOM 770 O LEU A 54 0.955 -0.955 -2.548 1.00 0.00 O ATOM 771 CB LEU A 54 1.031 2.089 -3.654 1.00 0.00 C ATOM 772 CG LEU A 54 0.061 1.457 -4.654 1.00 0.00 C ATOM 773 CD1 LEU A 54 -1.156 0.866 -3.939 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.341 2.459 -5.737 1.00 0.00 C ATOM 0 H LEU A 54 3.442 2.118 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 54 1.944 1.299 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.449 2.565 -2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.583 2.878 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 54 0.573 0.634 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.830 0.423 -4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.829 0.099 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.678 1.655 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.031 1.984 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.827 3.319 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.548 2.790 -6.274 1.00 0.00 H new ATOM 786 N VAL A 55 2.397 -0.868 -4.288 1.00 0.00 N ATOM 787 CA VAL A 55 2.216 -2.263 -4.651 1.00 0.00 C ATOM 788 C VAL A 55 3.044 -3.142 -3.711 1.00 0.00 C ATOM 789 O VAL A 55 2.705 -4.302 -3.482 1.00 0.00 O ATOM 790 CB VAL A 55 2.567 -2.470 -6.126 1.00 0.00 C ATOM 791 CG1 VAL A 55 2.948 -3.926 -6.401 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.417 -2.024 -7.031 1.00 0.00 C ATOM 0 H VAL A 55 3.051 -0.355 -4.879 1.00 0.00 H new ATOM 0 HA VAL A 55 1.172 -2.555 -4.535 1.00 0.00 H new ATOM 0 HB VAL A 55 3.433 -1.849 -6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.193 -4.045 -7.457 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.813 -4.196 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.110 -4.575 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.692 -2.182 -8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.525 -2.606 -6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.213 -0.966 -6.866 1.00 0.00 H new ATOM 802 N GLU A 56 4.113 -2.556 -3.193 1.00 0.00 N ATOM 803 CA GLU A 56 4.992 -3.271 -2.283 1.00 0.00 C ATOM 804 C GLU A 56 4.328 -3.420 -0.913 1.00 0.00 C ATOM 805 O GLU A 56 4.895 -4.033 -0.009 1.00 0.00 O ATOM 806 CB GLU A 56 6.346 -2.568 -2.163 1.00 0.00 C ATOM 807 CG GLU A 56 7.413 -3.292 -2.986 1.00 0.00 C ATOM 808 CD GLU A 56 8.785 -2.639 -2.800 1.00 0.00 C ATOM 809 OE1 GLU A 56 8.973 -1.542 -3.368 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.613 -3.253 -2.093 1.00 0.00 O ATOM 0 H GLU A 56 4.391 -1.594 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 56 5.172 -4.267 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.256 -1.537 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.650 -2.532 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.461 -4.339 -2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.138 -3.275 -4.041 1.00 0.00 H new ATOM 817 N ALA A 57 3.137 -2.851 -0.802 1.00 0.00 N ATOM 818 CA ALA A 57 2.391 -2.913 0.443 1.00 0.00 C ATOM 819 C ALA A 57 1.530 -4.179 0.454 1.00 0.00 C ATOM 820 O ALA A 57 1.076 -4.616 1.510 1.00 0.00 O ATOM 821 CB ALA A 57 1.557 -1.640 0.603 1.00 0.00 C ATOM 0 H ALA A 57 2.670 -2.345 -1.554 1.00 0.00 H new ATOM 0 HA ALA A 57 3.069 -2.967 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.997 -1.687 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.217 -0.772 0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.862 -1.553 -0.232 1.00 0.00 H new ATOM 827 N LEU A 58 1.332 -4.731 -0.734 1.00 0.00 N ATOM 828 CA LEU A 58 0.534 -5.937 -0.875 1.00 0.00 C ATOM 829 C LEU A 58 1.297 -7.121 -0.276 1.00 0.00 C ATOM 830 O LEU A 58 0.766 -7.846 0.563 1.00 0.00 O ATOM 831 CB LEU A 58 0.127 -6.143 -2.335 1.00 0.00 C ATOM 832 CG LEU A 58 -1.326 -6.558 -2.574 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.293 -5.577 -1.907 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.612 -6.718 -4.068 1.00 0.00 C ATOM 0 H LEU A 58 1.710 -4.365 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.399 -5.844 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.313 -5.216 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.777 -6.903 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.484 -7.532 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.319 -5.895 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.108 -5.557 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.142 -4.580 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.652 -7.013 -4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.431 -5.771 -4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.957 -7.484 -4.484 1.00 0.00 H new ATOM 846 N PRO A 59 2.564 -7.283 -0.744 1.00 0.00 N ATOM 847 CA PRO A 59 3.406 -8.366 -0.264 1.00 0.00 C ATOM 848 C PRO A 59 3.926 -8.074 1.145 1.00 0.00 C ATOM 849 O PRO A 59 4.124 -8.991 1.940 1.00 0.00 O ATOM 850 CB PRO A 59 4.517 -8.487 -1.294 1.00 0.00 C ATOM 851 CG PRO A 59 4.520 -7.174 -2.060 1.00 0.00 C ATOM 852 CD PRO A 59 3.227 -6.443 -1.737 1.00 0.00 C ATOM 0 HA PRO A 59 2.866 -9.308 -0.168 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.479 -8.660 -0.812 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.339 -9.329 -1.963 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.381 -6.569 -1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.597 -7.357 -3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.424 -5.446 -1.344 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.609 -6.319 -2.627 1.00 0.00 H new ATOM 860 N ILE A 60 4.131 -6.792 1.411 1.00 0.00 N ATOM 861 CA ILE A 60 4.625 -6.367 2.710 1.00 0.00 C ATOM 862 C ILE A 60 3.573 -6.679 3.777 1.00 0.00 C ATOM 863 O ILE A 60 3.863 -7.361 4.759 1.00 0.00 O ATOM 864 CB ILE A 60 5.042 -4.896 2.670 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.403 -4.731 1.990 1.00 0.00 C ATOM 866 CG2 ILE A 60 5.022 -4.282 4.071 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.737 -3.252 1.785 1.00 0.00 C ATOM 0 H ILE A 60 3.964 -6.034 0.749 1.00 0.00 H new ATOM 0 HA ILE A 60 5.525 -6.922 2.976 1.00 0.00 H new ATOM 0 HB ILE A 60 4.314 -4.350 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.176 -5.202 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.397 -5.243 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.323 -3.236 4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.015 -4.348 4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.714 -4.824 4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.709 -3.162 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.975 -2.790 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.766 -2.748 2.751 1.00 0.00 H new ATOM 879 N ILE A 61 2.374 -6.164 3.549 1.00 0.00 N ATOM 880 CA ILE A 61 1.278 -6.379 4.478 1.00 0.00 C ATOM 881 C ILE A 61 0.998 -7.879 4.592 1.00 0.00 C ATOM 882 O ILE A 61 0.789 -8.393 5.690 1.00 0.00 O ATOM 883 CB ILE A 61 0.056 -5.555 4.065 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.406 -4.069 3.962 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.118 -5.802 5.015 1.00 0.00 C ATOM 886 CD1 ILE A 61 0.255 -3.374 5.316 1.00 0.00 C ATOM 0 H ILE A 61 2.137 -5.598 2.734 1.00 0.00 H new ATOM 0 HA ILE A 61 1.549 -6.028 5.474 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.257 -5.882 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.429 -3.957 3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.242 -3.589 3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.973 -5.205 4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.386 -6.858 4.995 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.832 -5.519 6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.510 -2.319 5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.775 -3.467 5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.923 -3.840 6.041 1.00 0.00 H new ATOM 898 N GLY A 62 1.004 -8.538 3.443 1.00 0.00 N ATOM 899 CA GLY A 62 0.754 -9.969 3.400 1.00 0.00 C ATOM 900 C GLY A 62 1.670 -10.715 4.372 1.00 0.00 C ATOM 901 O GLY A 62 1.260 -11.698 4.988 1.00 0.00 O ATOM 0 H GLY A 62 1.178 -8.108 2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.288 -10.167 3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.914 -10.339 2.387 1.00 0.00 H new ATOM 905 N VAL A 63 2.895 -10.220 4.479 1.00 0.00 N ATOM 906 CA VAL A 63 3.873 -10.828 5.365 1.00 0.00 C ATOM 907 C VAL A 63 3.514 -10.499 6.816 1.00 0.00 C ATOM 908 O VAL A 63 3.778 -11.291 7.719 1.00 0.00 O ATOM 909 CB VAL A 63 5.282 -10.373 4.979 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.304 -10.800 6.036 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.669 -10.902 3.597 1.00 0.00 C ATOM 0 H VAL A 63 3.232 -9.405 3.967 1.00 0.00 H new ATOM 0 HA VAL A 63 3.858 -11.913 5.265 1.00 0.00 H new ATOM 0 HB VAL A 63 5.282 -9.284 4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.297 -10.465 5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.043 -10.354 6.996 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.300 -11.886 6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.675 -10.564 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.643 -11.992 3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.965 -10.527 2.854 1.00 0.00 H new ATOM 921 N VAL A 64 2.918 -9.329 6.994 1.00 0.00 N ATOM 922 CA VAL A 64 2.521 -8.885 8.319 1.00 0.00 C ATOM 923 C VAL A 64 1.429 -9.812 8.856 1.00 0.00 C ATOM 924 O VAL A 64 1.567 -10.378 9.939 1.00 0.00 O ATOM 925 CB VAL A 64 2.091 -7.418 8.272 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.534 -6.966 9.624 1.00 0.00 C ATOM 927 CG2 VAL A 64 3.248 -6.521 7.829 1.00 0.00 C ATOM 0 H VAL A 64 2.700 -8.675 6.242 1.00 0.00 H new ATOM 0 HA VAL A 64 3.363 -8.940 9.009 1.00 0.00 H new ATOM 0 HB VAL A 64 1.294 -7.326 7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.236 -5.919 9.563 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.668 -7.576 9.883 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.301 -7.081 10.390 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.915 -5.483 7.804 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.075 -6.620 8.532 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.580 -6.820 6.835 1.00 0.00 H new ATOM 937 N PHE A 65 0.367 -9.938 8.074 1.00 0.00 N ATOM 938 CA PHE A 65 -0.749 -10.786 8.457 1.00 0.00 C ATOM 939 C PHE A 65 -0.264 -12.178 8.868 1.00 0.00 C ATOM 940 O PHE A 65 -0.676 -12.703 9.901 1.00 0.00 O ATOM 941 CB PHE A 65 -1.654 -10.916 7.231 1.00 0.00 C ATOM 942 CG PHE A 65 -1.889 -12.360 6.781 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.500 -13.241 7.617 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.487 -12.761 5.546 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.718 -14.581 7.200 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.705 -14.101 5.128 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.316 -14.982 5.965 1.00 0.00 C ATOM 0 H PHE A 65 0.256 -9.467 7.176 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.274 -10.348 9.306 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.616 -10.454 7.452 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.213 -10.356 6.406 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.820 -12.922 8.598 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.002 -12.061 4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.203 -15.281 7.864 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.386 -14.420 4.147 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.482 -16.001 5.648 1.00 0.00 H new ATOM 957 N SER A 66 0.606 -12.735 8.038 1.00 0.00 N ATOM 958 CA SER A 66 1.151 -14.056 8.302 1.00 0.00 C ATOM 959 C SER A 66 1.981 -14.032 9.588 1.00 0.00 C ATOM 960 O SER A 66 1.867 -14.929 10.421 1.00 0.00 O ATOM 961 CB SER A 66 2.004 -14.544 7.130 1.00 0.00 C ATOM 962 OG SER A 66 3.328 -14.018 7.177 1.00 0.00 O ATOM 0 H SER A 66 0.947 -12.296 7.183 1.00 0.00 H new ATOM 0 HA SER A 66 0.320 -14.750 8.426 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.046 -15.633 7.141 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.531 -14.253 6.192 1.00 0.00 H new ATOM 0 HG SER A 66 3.290 -13.040 7.231 1.00 0.00 H new ATOM 968 N PHE A 67 2.797 -12.995 9.708 1.00 0.00 N ATOM 969 CA PHE A 67 3.645 -12.842 10.878 1.00 0.00 C ATOM 970 C PHE A 67 2.811 -12.816 12.161 1.00 0.00 C ATOM 971 O PHE A 67 3.239 -13.327 13.194 1.00 0.00 O ATOM 972 CB PHE A 67 4.374 -11.505 10.731 1.00 0.00 C ATOM 973 CG PHE A 67 5.819 -11.634 10.246 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.092 -12.293 9.088 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.831 -11.089 10.973 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.433 -12.413 8.639 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.173 -11.209 10.523 1.00 0.00 C ATOM 978 CZ PHE A 67 8.446 -11.868 9.366 1.00 0.00 C ATOM 0 H PHE A 67 2.889 -12.253 9.014 1.00 0.00 H new ATOM 0 HA PHE A 67 4.340 -13.679 10.945 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.822 -10.877 10.032 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.369 -10.992 11.693 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.288 -12.725 8.510 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.614 -10.565 11.892 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.650 -12.937 7.720 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.977 -10.776 11.100 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.466 -11.959 9.024 1.00 0.00 H new ATOM 988 N ILE A 68 1.635 -12.216 12.051 1.00 0.00 N ATOM 989 CA ILE A 68 0.737 -12.117 13.189 1.00 0.00 C ATOM 990 C ILE A 68 0.496 -13.514 13.767 1.00 0.00 C ATOM 991 O ILE A 68 0.679 -13.734 14.963 1.00 0.00 O ATOM 992 CB ILE A 68 -0.548 -11.385 12.796 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.465 -9.901 13.157 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.774 -12.058 13.416 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.500 -9.163 12.226 1.00 0.00 C ATOM 0 H ILE A 68 1.283 -11.794 11.192 1.00 0.00 H new ATOM 0 HA ILE A 68 1.189 -11.518 13.979 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.660 -11.448 11.714 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.456 -9.451 13.091 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.134 -9.792 14.190 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.674 -11.518 13.121 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.839 -13.089 13.067 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.684 -12.048 14.502 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.540 -8.110 12.504 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.495 -9.600 12.313 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.153 -9.253 11.197 1.00 0.00 H new ATOM 1007 N TYR A 69 0.090 -14.420 12.890 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.177 -15.789 13.298 1.00 0.00 C ATOM 1009 C TYR A 69 1.013 -16.377 14.059 1.00 0.00 C ATOM 1010 O TYR A 69 0.843 -16.971 15.122 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.383 -16.581 12.006 1.00 0.00 C ATOM 1012 CG TYR A 69 -0.775 -18.044 12.228 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.026 -18.356 12.721 1.00 0.00 C ATOM 1014 CD2 TYR A 69 0.123 -19.051 11.936 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.394 -19.732 12.931 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -0.246 -20.427 12.145 1.00 0.00 C ATOM 1017 CZ TYR A 69 -1.486 -20.699 12.632 1.00 0.00 C ATOM 1018 OH TYR A 69 -1.834 -21.999 12.830 1.00 0.00 O ATOM 0 H TYR A 69 -0.061 -14.233 11.899 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.044 -15.831 13.957 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.157 -16.094 11.413 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.536 -16.547 11.420 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.729 -17.568 12.949 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.102 -18.807 11.551 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.369 -19.990 13.317 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.446 -21.225 11.920 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.088 -22.580 12.573 1.00 0.00 H new ATOM 1028 N LEU A 70 2.192 -16.190 13.484 1.00 0.00 N ATOM 1029 CA LEU A 70 3.411 -16.695 14.094 1.00 0.00 C ATOM 1030 C LEU A 70 3.481 -16.222 15.547 1.00 0.00 C ATOM 1031 O LEU A 70 4.176 -16.822 16.366 1.00 0.00 O ATOM 1032 CB LEU A 70 4.631 -16.301 13.259 1.00 0.00 C ATOM 1033 CG LEU A 70 5.813 -17.271 13.300 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.942 -18.035 11.980 1.00 0.00 C ATOM 1035 CD2 LEU A 70 7.107 -16.543 13.669 1.00 0.00 C ATOM 0 H LEU A 70 2.329 -15.696 12.602 1.00 0.00 H new ATOM 0 HA LEU A 70 3.406 -17.785 14.112 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.315 -16.188 12.222 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.977 -15.324 13.596 1.00 0.00 H new ATOM 0 HG LEU A 70 5.623 -18.007 14.081 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.790 -18.718 12.036 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.030 -18.603 11.798 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.098 -17.329 11.165 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.932 -17.255 13.691 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.314 -15.771 12.928 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.998 -16.083 14.651 1.00 0.00 H new ATOM 1047 N GLY A 71 2.752 -15.151 15.824 1.00 0.00 N ATOM 1048 CA GLY A 71 2.724 -14.591 17.165 1.00 0.00 C ATOM 1049 C GLY A 71 3.333 -13.188 17.186 1.00 0.00 C ATOM 1050 O GLY A 71 3.813 -12.732 18.222 1.00 0.00 O ATOM 0 H GLY A 71 2.176 -14.656 15.143 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.696 -14.550 17.525 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.274 -15.240 17.846 1.00 0.00 H new ATOM 1054 N ARG A 72 3.293 -12.543 16.029 1.00 0.00 N ATOM 1055 CA ARG A 72 3.835 -11.201 15.902 1.00 0.00 C ATOM 1056 C ARG A 72 2.717 -10.204 15.589 1.00 0.00 C ATOM 1057 O ARG A 72 1.668 -10.221 16.231 1.00 0.00 O ATOM 1058 CB ARG A 72 4.891 -11.136 14.797 1.00 0.00 C ATOM 1059 CG ARG A 72 6.251 -11.616 15.309 1.00 0.00 C ATOM 1060 CD ARG A 72 6.723 -12.849 14.535 1.00 0.00 C ATOM 1061 NE ARG A 72 7.740 -13.581 15.323 1.00 0.00 N ATOM 1062 CZ ARG A 72 9.047 -13.285 15.323 1.00 0.00 C ATOM 1063 NH1 ARG A 72 9.504 -12.269 14.578 1.00 0.00 N ATOM 1064 NH2 ARG A 72 9.897 -14.004 16.069 1.00 0.00 N ATOM 0 H ARG A 72 2.894 -12.925 15.172 1.00 0.00 H new ATOM 0 HA ARG A 72 4.303 -10.941 16.852 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.578 -11.751 13.953 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.977 -10.113 14.431 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.985 -10.816 15.209 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.181 -11.853 16.371 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.876 -13.502 14.323 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.142 -12.548 13.575 1.00 0.00 H new ATOM 0 HE ARG A 72 7.426 -14.360 15.902 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.857 -11.721 14.011 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.499 -12.044 14.578 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.549 -14.777 16.637 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.892 -13.779 16.069 1.00 0.00 H new TER 1078 ARG A 72