USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 753 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 3 THR OG1 : rot 180:sc= 0.00894 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0717 USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.299) USER MOD Single : A 9 TYR OH : rot 94:sc= 0.00386 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -2.81! C(o=-2.8!,f=-6.8!) USER MOD Single : A 33 THR OG1 : rot 122:sc= -0.733 USER MOD Single : A 36 GLN :FLIP amide:sc= -5.42! C(o=-6.3!,f=-5.4!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.121) USER MOD Single : A 46 HIS : no HD1:sc= -5.72! C(o=-5.7!,f=-12!) USER MOD Single : A 66 ASN : amide:sc= 0.785 K(o=0.78,f=-0.031) USER MOD Single : A 67 MET CE :methyl -119:sc= -2.24! (180deg=-5.2!) USER MOD Single : A 68 ASN :FLIP amide:sc= -3.88! C(o=-4.4!,f=-3.9!) USER MOD Single : A 70 SER OG : rot 53:sc= -1.18 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.068) USER MOD Single : A 83 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000423) USER MOD Single : A 85 MET CE :methyl -114:sc= -3.19! (180deg=-9.38!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.0426 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 2.480 -9.340 20.476 1.00 0.00 N ATOM 2 CA GLY A -6 1.442 -9.691 21.428 1.00 0.00 C ATOM 3 C GLY A -6 0.399 -8.600 21.577 1.00 0.00 C ATOM 4 O GLY A -6 0.397 -7.865 22.564 1.00 0.00 O ATOM 0 H1 GLY A -6 3.168 -10.117 20.410 1.00 0.00 H new ATOM 0 H2 GLY A -6 2.053 -9.175 19.542 1.00 0.00 H new ATOM 0 H3 GLY A -6 2.964 -8.476 20.793 1.00 0.00 H new ATOM 0 HA2 GLY A -6 0.956 -10.613 21.108 1.00 0.00 H new ATOM 0 HA3 GLY A -6 1.896 -9.891 22.399 1.00 0.00 H new ATOM 8 N SER A -5 -0.488 -8.494 20.593 1.00 0.00 N ATOM 9 CA SER A -5 -1.538 -7.482 20.616 1.00 0.00 C ATOM 10 C SER A -5 -2.917 -8.131 20.665 1.00 0.00 C ATOM 11 O SER A -5 -3.060 -9.331 20.430 1.00 0.00 O ATOM 12 CB SER A -5 -1.430 -6.578 19.386 1.00 0.00 C ATOM 13 OG SER A -5 -1.982 -7.207 18.242 1.00 0.00 O ATOM 0 H SER A -5 -0.501 -9.096 19.770 1.00 0.00 H new ATOM 0 HA SER A -5 -1.408 -6.879 21.514 1.00 0.00 H new ATOM 0 HB2 SER A -5 -1.949 -5.638 19.574 1.00 0.00 H new ATOM 0 HB3 SER A -5 -0.384 -6.333 19.201 1.00 0.00 H new ATOM 0 HG SER A -5 -1.903 -6.609 17.470 1.00 0.00 H new ATOM 19 N SER A -4 -3.931 -7.328 20.974 1.00 0.00 N ATOM 20 CA SER A -4 -5.300 -7.824 21.059 1.00 0.00 C ATOM 21 C SER A -4 -6.278 -6.678 21.298 1.00 0.00 C ATOM 22 O SER A -4 -6.002 -5.761 22.071 1.00 0.00 O ATOM 23 CB SER A -4 -5.422 -8.857 22.180 1.00 0.00 C ATOM 24 OG SER A -4 -5.265 -8.250 23.451 1.00 0.00 O ATOM 0 H SER A -4 -3.830 -6.332 21.169 1.00 0.00 H new ATOM 0 HA SER A -4 -5.549 -8.299 20.110 1.00 0.00 H new ATOM 0 HB2 SER A -4 -6.395 -9.346 22.124 1.00 0.00 H new ATOM 0 HB3 SER A -4 -4.668 -9.633 22.048 1.00 0.00 H new ATOM 0 HG SER A -4 -5.349 -8.931 24.151 1.00 0.00 H new ATOM 30 N GLY A -3 -7.426 -6.738 20.628 1.00 0.00 N ATOM 31 CA GLY A -3 -8.429 -5.700 20.781 1.00 0.00 C ATOM 32 C GLY A -3 -9.839 -6.227 20.605 1.00 0.00 C ATOM 33 O GLY A -3 -10.183 -7.286 21.130 1.00 0.00 O ATOM 0 H GLY A -3 -7.679 -7.486 19.983 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -8.333 -5.249 21.769 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -8.245 -4.911 20.052 1.00 0.00 H new ATOM 37 N SER A -2 -10.659 -5.485 19.867 1.00 0.00 N ATOM 38 CA SER A -2 -12.042 -5.881 19.628 1.00 0.00 C ATOM 39 C SER A -2 -12.634 -5.107 18.455 1.00 0.00 C ATOM 40 O SER A -2 -12.148 -4.033 18.097 1.00 0.00 O ATOM 41 CB SER A -2 -12.884 -5.650 20.884 1.00 0.00 C ATOM 42 OG SER A -2 -14.121 -6.337 20.803 1.00 0.00 O ATOM 0 H SER A -2 -10.389 -4.606 19.424 1.00 0.00 H new ATOM 0 HA SER A -2 -12.053 -6.943 19.382 1.00 0.00 H new ATOM 0 HB2 SER A -2 -12.333 -5.988 21.762 1.00 0.00 H new ATOM 0 HB3 SER A -2 -13.065 -4.583 21.013 1.00 0.00 H new ATOM 0 HG SER A -2 -14.639 -6.174 21.619 1.00 0.00 H new ATOM 48 N SER A -1 -13.686 -5.659 17.860 1.00 0.00 N ATOM 49 CA SER A -1 -14.343 -5.023 16.724 1.00 0.00 C ATOM 50 C SER A -1 -15.815 -4.761 17.025 1.00 0.00 C ATOM 51 O SER A -1 -16.463 -5.533 17.731 1.00 0.00 O ATOM 52 CB SER A -1 -14.215 -5.900 15.477 1.00 0.00 C ATOM 53 OG SER A -1 -12.862 -6.247 15.234 1.00 0.00 O ATOM 0 H SER A -1 -14.102 -6.545 18.146 1.00 0.00 H new ATOM 0 HA SER A -1 -13.851 -4.068 16.540 1.00 0.00 H new ATOM 0 HB2 SER A -1 -14.809 -6.805 15.603 1.00 0.00 H new ATOM 0 HB3 SER A -1 -14.619 -5.371 14.614 1.00 0.00 H new ATOM 0 HG SER A -1 -12.807 -6.809 14.433 1.00 0.00 H new ATOM 59 N GLY A 0 -16.337 -3.664 16.485 1.00 0.00 N ATOM 60 CA GLY A 0 -17.729 -3.317 16.707 1.00 0.00 C ATOM 61 C GLY A 0 -18.404 -2.799 15.453 1.00 0.00 C ATOM 62 O GLY A 0 -17.881 -2.952 14.349 1.00 0.00 O ATOM 0 H GLY A 0 -15.821 -3.009 15.898 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -18.266 -4.194 17.069 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -17.791 -2.560 17.489 1.00 0.00 H new ATOM 66 N MET A 1 -19.571 -2.184 15.622 1.00 0.00 N ATOM 67 CA MET A 1 -20.319 -1.642 14.493 1.00 0.00 C ATOM 68 C MET A 1 -19.640 -0.393 13.941 1.00 0.00 C ATOM 69 O MET A 1 -19.003 0.357 14.680 1.00 0.00 O ATOM 70 CB MET A 1 -21.752 -1.314 14.915 1.00 0.00 C ATOM 71 CG MET A 1 -21.836 -0.319 16.061 1.00 0.00 C ATOM 72 SD MET A 1 -23.343 0.670 16.014 1.00 0.00 S ATOM 73 CE MET A 1 -22.847 1.992 14.913 1.00 0.00 C ATOM 0 H MET A 1 -20.018 -2.049 16.529 1.00 0.00 H new ATOM 0 HA MET A 1 -20.343 -2.398 13.708 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.292 -0.914 14.057 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.256 -2.235 15.207 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.788 -0.857 17.008 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.971 0.343 16.026 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.676 2.688 14.784 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.993 2.519 15.339 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.570 1.575 13.945 1.00 0.00 H new ATOM 83 N ALA A 2 -19.780 -0.176 12.637 1.00 0.00 N ATOM 84 CA ALA A 2 -19.182 0.984 11.987 1.00 0.00 C ATOM 85 C ALA A 2 -20.254 1.948 11.491 1.00 0.00 C ATOM 86 O ALA A 2 -21.405 1.562 11.285 1.00 0.00 O ATOM 87 CB ALA A 2 -18.293 0.542 10.835 1.00 0.00 C ATOM 0 H ALA A 2 -20.302 -0.788 12.010 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.572 1.508 12.722 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.853 1.418 10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.500 -0.102 11.214 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.889 -0.007 10.106 1.00 0.00 H new ATOM 93 N THR A 3 -19.869 3.207 11.301 1.00 0.00 N ATOM 94 CA THR A 3 -20.797 4.227 10.831 1.00 0.00 C ATOM 95 C THR A 3 -21.136 4.026 9.359 1.00 0.00 C ATOM 96 O THR A 3 -22.165 4.500 8.877 1.00 0.00 O ATOM 97 CB THR A 3 -20.220 5.643 11.025 1.00 0.00 C ATOM 98 OG1 THR A 3 -18.861 5.683 10.578 1.00 0.00 O ATOM 99 CG2 THR A 3 -20.293 6.061 12.485 1.00 0.00 C ATOM 0 H THR A 3 -18.920 3.544 11.466 1.00 0.00 H new ATOM 0 HA THR A 3 -21.705 4.127 11.426 1.00 0.00 H new ATOM 0 HB THR A 3 -20.816 6.339 10.435 1.00 0.00 H new ATOM 0 HG1 THR A 3 -18.502 6.586 10.703 1.00 0.00 H new ATOM 0 HG21 THR A 3 -19.880 7.063 12.598 1.00 0.00 H new ATOM 0 HG22 THR A 3 -21.333 6.058 12.813 1.00 0.00 H new ATOM 0 HG23 THR A 3 -19.719 5.362 13.093 1.00 0.00 H new ATOM 107 N THR A 4 -20.264 3.318 8.647 1.00 0.00 N ATOM 108 CA THR A 4 -20.471 3.055 7.228 1.00 0.00 C ATOM 109 C THR A 4 -19.810 1.746 6.811 1.00 0.00 C ATOM 110 O THR A 4 -18.587 1.664 6.698 1.00 0.00 O ATOM 111 CB THR A 4 -19.916 4.198 6.358 1.00 0.00 C ATOM 112 OG1 THR A 4 -20.437 5.453 6.806 1.00 0.00 O ATOM 113 CG2 THR A 4 -20.275 3.987 4.895 1.00 0.00 C ATOM 0 H THR A 4 -19.408 2.917 9.030 1.00 0.00 H new ATOM 0 HA THR A 4 -21.547 2.981 7.073 1.00 0.00 H new ATOM 0 HB THR A 4 -18.830 4.202 6.453 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.078 6.174 6.248 1.00 0.00 H new ATOM 0 HG21 THR A 4 -19.873 4.807 4.300 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.851 3.045 4.549 1.00 0.00 H new ATOM 0 HG23 THR A 4 -21.359 3.958 4.787 1.00 0.00 H new ATOM 121 N LYS A 5 -20.627 0.723 6.580 1.00 0.00 N ATOM 122 CA LYS A 5 -20.123 -0.582 6.173 1.00 0.00 C ATOM 123 C LYS A 5 -19.738 -0.581 4.697 1.00 0.00 C ATOM 124 O LYS A 5 -20.161 -1.450 3.934 1.00 0.00 O ATOM 125 CB LYS A 5 -21.174 -1.663 6.435 1.00 0.00 C ATOM 126 CG LYS A 5 -20.677 -3.073 6.170 1.00 0.00 C ATOM 127 CD LYS A 5 -20.122 -3.715 7.431 1.00 0.00 C ATOM 128 CE LYS A 5 -21.202 -4.466 8.195 1.00 0.00 C ATOM 129 NZ LYS A 5 -20.644 -5.617 8.956 1.00 0.00 N ATOM 0 H LYS A 5 -21.642 0.774 6.668 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.233 -0.799 6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -21.505 -1.592 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -22.045 -1.470 5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -21.494 -3.681 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -19.904 -3.049 5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -19.317 -4.401 7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -19.689 -2.947 8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -21.701 -3.784 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -21.958 -4.825 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -21.409 -6.281 9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.931 -6.103 8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -20.202 -5.272 9.832 1.00 0.00 H new ATOM 143 N ARG A 6 -18.934 0.401 4.300 1.00 0.00 N ATOM 144 CA ARG A 6 -18.493 0.515 2.916 1.00 0.00 C ATOM 145 C ARG A 6 -16.976 0.666 2.839 1.00 0.00 C ATOM 146 O ARG A 6 -16.329 0.098 1.960 1.00 0.00 O ATOM 147 CB ARG A 6 -19.170 1.708 2.239 1.00 0.00 C ATOM 148 CG ARG A 6 -20.676 1.557 2.103 1.00 0.00 C ATOM 149 CD ARG A 6 -21.050 0.839 0.815 1.00 0.00 C ATOM 150 NE ARG A 6 -20.712 1.626 -0.368 1.00 0.00 N ATOM 151 CZ ARG A 6 -21.335 2.750 -0.706 1.00 0.00 C ATOM 152 NH1 ARG A 6 -22.323 3.216 0.046 1.00 0.00 N ATOM 153 NH2 ARG A 6 -20.970 3.410 -1.797 1.00 0.00 N ATOM 0 H ARG A 6 -18.575 1.129 4.918 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.777 -0.399 2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.954 2.610 2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.736 1.847 1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -21.066 1.002 2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -21.145 2.541 2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -20.534 -0.120 0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -22.119 0.626 0.816 1.00 0.00 H new ATOM 0 HE ARG A 6 -19.956 1.295 -0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -22.606 2.711 0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -22.800 4.079 -0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -20.210 3.055 -2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -21.449 4.273 -2.055 1.00 0.00 H new ATOM 167 N VAL A 7 -16.416 1.437 3.766 1.00 0.00 N ATOM 168 CA VAL A 7 -14.976 1.663 3.804 1.00 0.00 C ATOM 169 C VAL A 7 -14.279 0.618 4.667 1.00 0.00 C ATOM 170 O VAL A 7 -14.450 0.588 5.886 1.00 0.00 O ATOM 171 CB VAL A 7 -14.643 3.066 4.346 1.00 0.00 C ATOM 172 CG1 VAL A 7 -13.137 3.282 4.378 1.00 0.00 C ATOM 173 CG2 VAL A 7 -15.325 4.137 3.508 1.00 0.00 C ATOM 0 H VAL A 7 -16.938 1.915 4.500 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.615 1.582 2.779 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.019 3.141 5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.920 4.278 4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.676 2.535 5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.734 3.188 3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -15.079 5.122 3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.981 4.066 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.405 3.992 3.541 1.00 0.00 H new ATOM 183 N LEU A 8 -13.490 -0.239 4.027 1.00 0.00 N ATOM 184 CA LEU A 8 -12.765 -1.287 4.735 1.00 0.00 C ATOM 185 C LEU A 8 -11.368 -0.815 5.125 1.00 0.00 C ATOM 186 O LEU A 8 -10.832 0.124 4.535 1.00 0.00 O ATOM 187 CB LEU A 8 -12.667 -2.543 3.868 1.00 0.00 C ATOM 188 CG LEU A 8 -13.957 -2.981 3.174 1.00 0.00 C ATOM 189 CD1 LEU A 8 -13.724 -4.247 2.364 1.00 0.00 C ATOM 190 CD2 LEU A 8 -15.066 -3.195 4.194 1.00 0.00 C ATOM 0 H LEU A 8 -13.337 -0.228 3.019 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.316 -1.523 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.906 -2.375 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.317 -3.365 4.492 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.266 -2.189 2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.653 -4.544 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.962 -4.060 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.390 -5.046 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.976 -3.506 3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.765 -3.968 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.252 -2.264 4.730 1.00 0.00 H new ATOM 202 N TYR A 9 -10.782 -1.473 6.119 1.00 0.00 N ATOM 203 CA TYR A 9 -9.447 -1.120 6.587 1.00 0.00 C ATOM 204 C TYR A 9 -8.468 -2.266 6.356 1.00 0.00 C ATOM 205 O TYR A 9 -8.667 -3.378 6.847 1.00 0.00 O ATOM 206 CB TYR A 9 -9.484 -0.758 8.073 1.00 0.00 C ATOM 207 CG TYR A 9 -8.118 -0.497 8.667 1.00 0.00 C ATOM 208 CD1 TYR A 9 -7.214 -1.534 8.861 1.00 0.00 C ATOM 209 CD2 TYR A 9 -7.732 0.786 9.034 1.00 0.00 C ATOM 210 CE1 TYR A 9 -5.965 -1.301 9.404 1.00 0.00 C ATOM 211 CE2 TYR A 9 -6.485 1.029 9.576 1.00 0.00 C ATOM 212 CZ TYR A 9 -5.606 -0.018 9.760 1.00 0.00 C ATOM 213 OH TYR A 9 -4.362 0.219 10.300 1.00 0.00 O ATOM 0 H TYR A 9 -11.210 -2.254 6.616 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.107 -0.255 6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.105 0.128 8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.962 -1.568 8.624 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.492 -2.540 8.583 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.419 1.608 8.893 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.274 -2.119 9.549 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.200 2.033 9.854 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.739 0.474 9.587 1.00 0.00 H new ATOM 223 N VAL A 10 -7.407 -1.988 5.604 1.00 0.00 N ATOM 224 CA VAL A 10 -6.395 -2.994 5.308 1.00 0.00 C ATOM 225 C VAL A 10 -5.115 -2.734 6.095 1.00 0.00 C ATOM 226 O VAL A 10 -4.723 -1.586 6.302 1.00 0.00 O ATOM 227 CB VAL A 10 -6.062 -3.030 3.805 1.00 0.00 C ATOM 228 CG1 VAL A 10 -5.323 -4.311 3.452 1.00 0.00 C ATOM 229 CG2 VAL A 10 -7.330 -2.890 2.976 1.00 0.00 C ATOM 0 H VAL A 10 -7.227 -1.074 5.189 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.811 -3.957 5.603 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.409 -2.188 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.096 -4.318 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.395 -4.364 4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.948 -5.170 3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.077 -2.917 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.009 -3.711 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.814 -1.942 3.209 1.00 0.00 H new ATOM 239 N GLY A 11 -4.466 -3.809 6.531 1.00 0.00 N ATOM 240 CA GLY A 11 -3.236 -3.676 7.290 1.00 0.00 C ATOM 241 C GLY A 11 -2.240 -4.775 6.978 1.00 0.00 C ATOM 242 O GLY A 11 -2.545 -5.705 6.232 1.00 0.00 O ATOM 0 H GLY A 11 -4.770 -4.770 6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.783 -2.708 7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.467 -3.691 8.355 1.00 0.00 H new ATOM 246 N GLY A 12 -1.044 -4.668 7.548 1.00 0.00 N ATOM 247 CA GLY A 12 -0.017 -5.666 7.312 1.00 0.00 C ATOM 248 C GLY A 12 0.330 -5.805 5.843 1.00 0.00 C ATOM 249 O GLY A 12 0.642 -6.899 5.372 1.00 0.00 O ATOM 0 H GLY A 12 -0.768 -3.908 8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.880 -5.399 7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.356 -6.629 7.695 1.00 0.00 H new ATOM 253 N LEU A 13 0.275 -4.694 5.116 1.00 0.00 N ATOM 254 CA LEU A 13 0.585 -4.696 3.691 1.00 0.00 C ATOM 255 C LEU A 13 2.092 -4.675 3.461 1.00 0.00 C ATOM 256 O LEU A 13 2.849 -4.170 4.290 1.00 0.00 O ATOM 257 CB LEU A 13 -0.064 -3.492 3.006 1.00 0.00 C ATOM 258 CG LEU A 13 -1.593 -3.476 2.982 1.00 0.00 C ATOM 259 CD1 LEU A 13 -2.106 -2.101 2.586 1.00 0.00 C ATOM 260 CD2 LEU A 13 -2.122 -4.539 2.030 1.00 0.00 C ATOM 0 H LEU A 13 0.019 -3.780 5.490 1.00 0.00 H new ATOM 0 HA LEU A 13 0.183 -5.612 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.281 -2.586 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.296 -3.447 1.978 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.956 -3.701 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.196 -2.109 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.756 -1.361 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.734 -1.846 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.212 -4.513 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.750 -4.344 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.783 -5.522 2.358 1.00 0.00 H new ATOM 272 N ALA A 14 2.521 -5.225 2.330 1.00 0.00 N ATOM 273 CA ALA A 14 3.938 -5.266 1.989 1.00 0.00 C ATOM 274 C ALA A 14 4.452 -3.880 1.612 1.00 0.00 C ATOM 275 O ALA A 14 3.679 -2.928 1.515 1.00 0.00 O ATOM 276 CB ALA A 14 4.180 -6.248 0.853 1.00 0.00 C ATOM 0 H ALA A 14 1.907 -5.649 1.634 1.00 0.00 H new ATOM 0 HA ALA A 14 4.488 -5.602 2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.242 -6.268 0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.859 -7.244 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.612 -5.937 -0.024 1.00 0.00 H new ATOM 282 N GLU A 15 5.760 -3.776 1.402 1.00 0.00 N ATOM 283 CA GLU A 15 6.376 -2.506 1.037 1.00 0.00 C ATOM 284 C GLU A 15 6.225 -2.238 -0.457 1.00 0.00 C ATOM 285 O GLU A 15 6.643 -1.193 -0.956 1.00 0.00 O ATOM 286 CB GLU A 15 7.858 -2.503 1.420 1.00 0.00 C ATOM 287 CG GLU A 15 8.724 -3.354 0.506 1.00 0.00 C ATOM 288 CD GLU A 15 8.749 -4.813 0.917 1.00 0.00 C ATOM 289 OE1 GLU A 15 9.123 -5.098 2.074 1.00 0.00 O ATOM 290 OE2 GLU A 15 8.393 -5.670 0.082 1.00 0.00 O ATOM 0 H GLU A 15 6.413 -4.556 1.478 1.00 0.00 H new ATOM 0 HA GLU A 15 5.866 -1.714 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.227 -1.477 1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.961 -2.863 2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.354 -3.275 -0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.741 -2.963 0.508 1.00 0.00 H new ATOM 297 N GLU A 16 5.626 -3.190 -1.166 1.00 0.00 N ATOM 298 CA GLU A 16 5.421 -3.056 -2.604 1.00 0.00 C ATOM 299 C GLU A 16 3.934 -2.972 -2.936 1.00 0.00 C ATOM 300 O GLU A 16 3.526 -3.211 -4.073 1.00 0.00 O ATOM 301 CB GLU A 16 6.054 -4.237 -3.343 1.00 0.00 C ATOM 302 CG GLU A 16 6.536 -3.892 -4.742 1.00 0.00 C ATOM 303 CD GLU A 16 7.355 -5.004 -5.368 1.00 0.00 C ATOM 304 OE1 GLU A 16 8.326 -5.460 -4.728 1.00 0.00 O ATOM 305 OE2 GLU A 16 7.024 -5.419 -6.498 1.00 0.00 O ATOM 0 H GLU A 16 5.275 -4.061 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 16 5.901 -2.133 -2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.896 -4.611 -2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.327 -5.046 -3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.676 -3.678 -5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.136 -2.983 -4.702 1.00 0.00 H new ATOM 312 N VAL A 17 3.129 -2.631 -1.935 1.00 0.00 N ATOM 313 CA VAL A 17 1.687 -2.514 -2.120 1.00 0.00 C ATOM 314 C VAL A 17 1.234 -1.063 -2.006 1.00 0.00 C ATOM 315 O VAL A 17 1.720 -0.315 -1.157 1.00 0.00 O ATOM 316 CB VAL A 17 0.919 -3.363 -1.090 1.00 0.00 C ATOM 317 CG1 VAL A 17 -0.582 -3.191 -1.270 1.00 0.00 C ATOM 318 CG2 VAL A 17 1.314 -4.828 -1.207 1.00 0.00 C ATOM 0 H VAL A 17 3.450 -2.431 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 17 1.465 -2.883 -3.122 1.00 0.00 H new ATOM 0 HB VAL A 17 1.183 -3.018 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.109 -3.798 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.847 -2.143 -1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.867 -3.509 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.762 -5.414 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.080 -5.189 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.384 -4.932 -1.025 1.00 0.00 H new ATOM 328 N ASP A 18 0.300 -0.672 -2.865 1.00 0.00 N ATOM 329 CA ASP A 18 -0.221 0.691 -2.860 1.00 0.00 C ATOM 330 C ASP A 18 -1.611 0.743 -3.485 1.00 0.00 C ATOM 331 O ASP A 18 -2.101 -0.252 -4.019 1.00 0.00 O ATOM 332 CB ASP A 18 0.727 1.625 -3.615 1.00 0.00 C ATOM 333 CG ASP A 18 2.184 1.258 -3.412 1.00 0.00 C ATOM 334 OD1 ASP A 18 2.662 0.329 -4.095 1.00 0.00 O ATOM 335 OD2 ASP A 18 2.846 1.901 -2.570 1.00 0.00 O ATOM 0 H ASP A 18 -0.112 -1.279 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.295 1.022 -1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.492 1.594 -4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.564 2.650 -3.282 1.00 0.00 H new ATOM 340 N ASP A 19 -2.243 1.910 -3.414 1.00 0.00 N ATOM 341 CA ASP A 19 -3.577 2.092 -3.972 1.00 0.00 C ATOM 342 C ASP A 19 -3.750 1.272 -5.247 1.00 0.00 C ATOM 343 O ASP A 19 -4.790 0.649 -5.462 1.00 0.00 O ATOM 344 CB ASP A 19 -3.834 3.572 -4.264 1.00 0.00 C ATOM 345 CG ASP A 19 -5.167 3.805 -4.946 1.00 0.00 C ATOM 346 OD1 ASP A 19 -5.852 2.811 -5.266 1.00 0.00 O ATOM 347 OD2 ASP A 19 -5.526 4.981 -5.159 1.00 0.00 O ATOM 0 H ASP A 19 -1.852 2.744 -2.975 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.302 1.744 -3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.804 4.134 -3.331 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.034 3.959 -4.895 1.00 0.00 H new ATOM 352 N LYS A 20 -2.723 1.278 -6.091 1.00 0.00 N ATOM 353 CA LYS A 20 -2.760 0.535 -7.345 1.00 0.00 C ATOM 354 C LYS A 20 -2.966 -0.955 -7.090 1.00 0.00 C ATOM 355 O LYS A 20 -3.929 -1.550 -7.573 1.00 0.00 O ATOM 356 CB LYS A 20 -1.463 0.754 -8.129 1.00 0.00 C ATOM 357 CG LYS A 20 -1.358 2.133 -8.757 1.00 0.00 C ATOM 358 CD LYS A 20 0.087 2.503 -9.049 1.00 0.00 C ATOM 359 CE LYS A 20 0.516 2.028 -10.428 1.00 0.00 C ATOM 360 NZ LYS A 20 1.565 2.907 -11.016 1.00 0.00 N ATOM 0 H LYS A 20 -1.855 1.789 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.601 0.904 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.615 0.602 -7.462 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.390 0.000 -8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.935 2.158 -9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.796 2.873 -8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.208 3.584 -8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.737 2.062 -8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.894 1.008 -10.359 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.350 2.004 -11.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.831 2.550 -11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.196 3.875 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.401 2.910 -10.398 1.00 0.00 H new ATOM 374 N VAL A 21 -2.056 -1.551 -6.326 1.00 0.00 N ATOM 375 CA VAL A 21 -2.140 -2.971 -6.004 1.00 0.00 C ATOM 376 C VAL A 21 -3.429 -3.289 -5.254 1.00 0.00 C ATOM 377 O VAL A 21 -4.114 -4.266 -5.560 1.00 0.00 O ATOM 378 CB VAL A 21 -0.939 -3.426 -5.155 1.00 0.00 C ATOM 379 CG1 VAL A 21 -0.990 -4.928 -4.919 1.00 0.00 C ATOM 380 CG2 VAL A 21 0.368 -3.027 -5.824 1.00 0.00 C ATOM 0 H VAL A 21 -1.252 -1.073 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.131 -3.511 -6.951 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.992 -2.928 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.133 -5.231 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.911 -5.183 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.963 -5.448 -5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.206 -3.356 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.432 -3.495 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.404 -1.943 -5.935 1.00 0.00 H new ATOM 390 N LEU A 22 -3.754 -2.458 -4.270 1.00 0.00 N ATOM 391 CA LEU A 22 -4.962 -2.649 -3.474 1.00 0.00 C ATOM 392 C LEU A 22 -6.211 -2.519 -4.340 1.00 0.00 C ATOM 393 O LEU A 22 -7.279 -3.019 -3.987 1.00 0.00 O ATOM 394 CB LEU A 22 -5.011 -1.632 -2.332 1.00 0.00 C ATOM 395 CG LEU A 22 -4.065 -1.894 -1.160 1.00 0.00 C ATOM 396 CD1 LEU A 22 -3.997 -0.679 -0.248 1.00 0.00 C ATOM 397 CD2 LEU A 22 -4.508 -3.124 -0.381 1.00 0.00 C ATOM 0 H LEU A 22 -3.198 -1.645 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.936 -3.655 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.788 -0.646 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.031 -1.595 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.068 -2.081 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.319 -0.884 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.632 0.179 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.991 -0.461 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.823 -3.295 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.515 -2.967 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.504 -3.993 -1.039 1.00 0.00 H new ATOM 409 N HIS A 23 -6.068 -1.845 -5.478 1.00 0.00 N ATOM 410 CA HIS A 23 -7.184 -1.652 -6.396 1.00 0.00 C ATOM 411 C HIS A 23 -7.414 -2.900 -7.243 1.00 0.00 C ATOM 412 O HIS A 23 -8.495 -3.486 -7.222 1.00 0.00 O ATOM 413 CB HIS A 23 -6.924 -0.447 -7.302 1.00 0.00 C ATOM 414 CG HIS A 23 -7.712 -0.474 -8.575 1.00 0.00 C ATOM 415 ND1 HIS A 23 -7.498 -1.401 -9.573 1.00 0.00 N ATOM 416 CD2 HIS A 23 -8.720 0.319 -9.009 1.00 0.00 C ATOM 417 CE1 HIS A 23 -8.339 -1.176 -10.567 1.00 0.00 C ATOM 418 NE2 HIS A 23 -9.091 -0.138 -10.250 1.00 0.00 N ATOM 0 H HIS A 23 -5.191 -1.424 -5.785 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.081 -1.466 -5.805 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.162 0.466 -6.756 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.862 -0.406 -7.543 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.152 1.155 -8.478 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.401 -1.745 -11.483 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.828 0.260 -10.832 1.00 0.00 H new ATOM 426 N ALA A 24 -6.389 -3.300 -7.989 1.00 0.00 N ATOM 427 CA ALA A 24 -6.478 -4.478 -8.842 1.00 0.00 C ATOM 428 C ALA A 24 -6.624 -5.748 -8.010 1.00 0.00 C ATOM 429 O ALA A 24 -6.997 -6.801 -8.527 1.00 0.00 O ATOM 430 CB ALA A 24 -5.255 -4.573 -9.742 1.00 0.00 C ATOM 0 H ALA A 24 -5.487 -2.825 -8.019 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.367 -4.378 -9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.336 -5.458 -10.373 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.195 -3.684 -10.369 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.357 -4.646 -9.129 1.00 0.00 H new ATOM 436 N ALA A 25 -6.328 -5.641 -6.719 1.00 0.00 N ATOM 437 CA ALA A 25 -6.428 -6.781 -5.815 1.00 0.00 C ATOM 438 C ALA A 25 -7.820 -6.874 -5.201 1.00 0.00 C ATOM 439 O ALA A 25 -8.204 -7.914 -4.664 1.00 0.00 O ATOM 440 CB ALA A 25 -5.372 -6.683 -4.724 1.00 0.00 C ATOM 0 H ALA A 25 -6.017 -4.777 -6.275 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.254 -7.689 -6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.458 -7.540 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.381 -6.674 -5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.520 -5.764 -4.156 1.00 0.00 H new ATOM 446 N PHE A 26 -8.572 -5.782 -5.283 1.00 0.00 N ATOM 447 CA PHE A 26 -9.922 -5.740 -4.733 1.00 0.00 C ATOM 448 C PHE A 26 -10.950 -5.486 -5.832 1.00 0.00 C ATOM 449 O PHE A 26 -12.149 -5.403 -5.568 1.00 0.00 O ATOM 450 CB PHE A 26 -10.026 -4.653 -3.661 1.00 0.00 C ATOM 451 CG PHE A 26 -9.352 -5.019 -2.369 1.00 0.00 C ATOM 452 CD1 PHE A 26 -8.038 -5.459 -2.359 1.00 0.00 C ATOM 453 CD2 PHE A 26 -10.032 -4.923 -1.166 1.00 0.00 C ATOM 454 CE1 PHE A 26 -7.414 -5.796 -1.172 1.00 0.00 C ATOM 455 CE2 PHE A 26 -9.414 -5.259 0.024 1.00 0.00 C ATOM 456 CZ PHE A 26 -8.104 -5.696 0.021 1.00 0.00 C ATOM 0 H PHE A 26 -8.270 -4.914 -5.725 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.132 -6.709 -4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.585 -3.733 -4.044 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.078 -4.445 -3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.495 -5.540 -3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.057 -4.582 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.389 -6.137 -1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.955 -5.180 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.620 -5.959 0.950 1.00 0.00 H new ATOM 466 N ILE A 27 -10.470 -5.363 -7.065 1.00 0.00 N ATOM 467 CA ILE A 27 -11.345 -5.118 -8.204 1.00 0.00 C ATOM 468 C ILE A 27 -12.362 -6.243 -8.368 1.00 0.00 C ATOM 469 O ILE A 27 -13.489 -6.035 -8.817 1.00 0.00 O ATOM 470 CB ILE A 27 -10.543 -4.973 -9.510 1.00 0.00 C ATOM 471 CG1 ILE A 27 -11.374 -4.243 -10.567 1.00 0.00 C ATOM 472 CG2 ILE A 27 -10.109 -6.339 -10.020 1.00 0.00 C ATOM 473 CD1 ILE A 27 -11.741 -2.828 -10.176 1.00 0.00 C ATOM 0 H ILE A 27 -9.480 -5.429 -7.300 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.869 -4.183 -8.003 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.650 -4.382 -9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.817 -4.220 -11.503 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.287 -4.808 -10.754 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.543 -6.219 -10.944 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.483 -6.825 -9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.989 -6.953 -10.211 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.329 -2.372 -10.972 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.326 -2.845 -9.256 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.832 -2.247 -10.018 1.00 0.00 H new ATOM 485 N PRO A 28 -11.956 -7.466 -7.993 1.00 0.00 N ATOM 486 CA PRO A 28 -12.817 -8.648 -8.087 1.00 0.00 C ATOM 487 C PRO A 28 -14.078 -8.517 -7.238 1.00 0.00 C ATOM 488 O PRO A 28 -15.194 -8.560 -7.756 1.00 0.00 O ATOM 489 CB PRO A 28 -11.930 -9.776 -7.554 1.00 0.00 C ATOM 490 CG PRO A 28 -10.539 -9.260 -7.690 1.00 0.00 C ATOM 491 CD PRO A 28 -10.626 -7.788 -7.449 1.00 0.00 C ATOM 0 HA PRO A 28 -13.174 -8.811 -9.104 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.166 -10.008 -6.516 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.070 -10.693 -8.126 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.873 -9.736 -6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.139 -9.471 -8.682 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.548 -7.543 -6.390 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.833 -7.243 -7.961 1.00 0.00 H new ATOM 499 N PHE A 29 -13.892 -8.354 -5.933 1.00 0.00 N ATOM 500 CA PHE A 29 -15.015 -8.216 -5.012 1.00 0.00 C ATOM 501 C PHE A 29 -16.133 -7.389 -5.639 1.00 0.00 C ATOM 502 O PHE A 29 -17.176 -7.920 -6.019 1.00 0.00 O ATOM 503 CB PHE A 29 -14.554 -7.566 -3.706 1.00 0.00 C ATOM 504 CG PHE A 29 -13.606 -8.419 -2.913 1.00 0.00 C ATOM 505 CD1 PHE A 29 -13.975 -9.691 -2.504 1.00 0.00 C ATOM 506 CD2 PHE A 29 -12.347 -7.950 -2.576 1.00 0.00 C ATOM 507 CE1 PHE A 29 -13.105 -10.479 -1.774 1.00 0.00 C ATOM 508 CE2 PHE A 29 -11.473 -8.734 -1.847 1.00 0.00 C ATOM 509 CZ PHE A 29 -11.853 -9.999 -1.444 1.00 0.00 C ATOM 0 H PHE A 29 -12.975 -8.314 -5.489 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.401 -9.212 -4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.071 -6.616 -3.933 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.427 -7.342 -3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -14.953 -10.071 -2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.045 -6.961 -2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.404 -11.469 -1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.493 -8.358 -1.593 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.172 -10.612 -0.872 1.00 0.00 H new ATOM 519 N GLY A 30 -15.908 -6.082 -5.743 1.00 0.00 N ATOM 520 CA GLY A 30 -16.905 -5.202 -6.323 1.00 0.00 C ATOM 521 C GLY A 30 -16.295 -4.161 -7.241 1.00 0.00 C ATOM 522 O GLY A 30 -15.296 -4.423 -7.911 1.00 0.00 O ATOM 0 H GLY A 30 -15.053 -5.618 -5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.628 -5.796 -6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.452 -4.702 -5.524 1.00 0.00 H new ATOM 526 N ASP A 31 -16.898 -2.978 -7.274 1.00 0.00 N ATOM 527 CA ASP A 31 -16.409 -1.893 -8.118 1.00 0.00 C ATOM 528 C ASP A 31 -15.842 -0.759 -7.270 1.00 0.00 C ATOM 529 O ASP A 31 -16.508 0.252 -7.044 1.00 0.00 O ATOM 530 CB ASP A 31 -17.533 -1.367 -9.011 1.00 0.00 C ATOM 531 CG ASP A 31 -17.027 -0.412 -10.075 1.00 0.00 C ATOM 532 OD1 ASP A 31 -15.838 -0.508 -10.441 1.00 0.00 O ATOM 533 OD2 ASP A 31 -17.822 0.432 -10.541 1.00 0.00 O ATOM 0 H ASP A 31 -17.726 -2.745 -6.726 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.610 -2.286 -8.747 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.036 -2.207 -9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.276 -0.860 -8.395 1.00 0.00 H new ATOM 538 N ILE A 32 -14.610 -0.934 -6.803 1.00 0.00 N ATOM 539 CA ILE A 32 -13.955 0.076 -5.981 1.00 0.00 C ATOM 540 C ILE A 32 -14.312 1.482 -6.449 1.00 0.00 C ATOM 541 O ILE A 32 -14.124 1.827 -7.616 1.00 0.00 O ATOM 542 CB ILE A 32 -12.424 -0.088 -6.002 1.00 0.00 C ATOM 543 CG1 ILE A 32 -12.027 -1.457 -5.445 1.00 0.00 C ATOM 544 CG2 ILE A 32 -11.761 1.026 -5.206 1.00 0.00 C ATOM 545 CD1 ILE A 32 -10.553 -1.762 -5.586 1.00 0.00 C ATOM 0 H ILE A 32 -14.046 -1.765 -6.980 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.313 -0.066 -4.961 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.081 -0.024 -7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.300 -1.505 -4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.600 -2.229 -5.958 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.679 0.896 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -12.021 1.990 -5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.108 0.991 -4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.344 -2.748 -5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.278 -1.747 -6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.973 -1.011 -5.049 1.00 0.00 H new ATOM 557 N THR A 33 -14.826 2.293 -5.529 1.00 0.00 N ATOM 558 CA THR A 33 -15.209 3.664 -5.847 1.00 0.00 C ATOM 559 C THR A 33 -14.042 4.622 -5.638 1.00 0.00 C ATOM 560 O THR A 33 -13.798 5.507 -6.459 1.00 0.00 O ATOM 561 CB THR A 33 -16.400 4.128 -4.988 1.00 0.00 C ATOM 562 OG1 THR A 33 -16.019 4.181 -3.609 1.00 0.00 O ATOM 563 CG2 THR A 33 -17.586 3.189 -5.156 1.00 0.00 C ATOM 0 H THR A 33 -14.987 2.024 -4.558 1.00 0.00 H new ATOM 0 HA THR A 33 -15.502 3.676 -6.897 1.00 0.00 H new ATOM 0 HB THR A 33 -16.694 5.123 -5.321 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.156 5.089 -3.266 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.415 3.537 -4.540 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.892 3.173 -6.202 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.301 2.184 -4.847 1.00 0.00 H new ATOM 571 N ASP A 34 -13.325 4.442 -4.535 1.00 0.00 N ATOM 572 CA ASP A 34 -12.182 5.290 -4.218 1.00 0.00 C ATOM 573 C ASP A 34 -11.306 4.646 -3.148 1.00 0.00 C ATOM 574 O ASP A 34 -11.757 3.773 -2.406 1.00 0.00 O ATOM 575 CB ASP A 34 -12.656 6.666 -3.746 1.00 0.00 C ATOM 576 CG ASP A 34 -13.991 6.604 -3.032 1.00 0.00 C ATOM 577 OD1 ASP A 34 -14.021 6.154 -1.867 1.00 0.00 O ATOM 578 OD2 ASP A 34 -15.007 7.006 -3.637 1.00 0.00 O ATOM 0 H ASP A 34 -13.515 3.716 -3.845 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.588 5.409 -5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.909 7.095 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.737 7.333 -4.604 1.00 0.00 H new ATOM 583 N ILE A 35 -10.052 5.081 -3.076 1.00 0.00 N ATOM 584 CA ILE A 35 -9.114 4.546 -2.097 1.00 0.00 C ATOM 585 C ILE A 35 -8.291 5.660 -1.460 1.00 0.00 C ATOM 586 O ILE A 35 -7.955 6.648 -2.112 1.00 0.00 O ATOM 587 CB ILE A 35 -8.160 3.518 -2.735 1.00 0.00 C ATOM 588 CG1 ILE A 35 -8.950 2.325 -3.278 1.00 0.00 C ATOM 589 CG2 ILE A 35 -7.124 3.058 -1.721 1.00 0.00 C ATOM 590 CD1 ILE A 35 -8.156 1.458 -4.230 1.00 0.00 C ATOM 0 H ILE A 35 -9.663 5.802 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.707 4.051 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.640 3.993 -3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.291 1.715 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.840 2.691 -3.789 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.457 2.332 -2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.545 3.915 -1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.627 2.596 -0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.778 0.632 -4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.837 2.054 -5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.280 1.062 -3.717 1.00 0.00 H new ATOM 602 N GLN A 36 -7.967 5.492 -0.182 1.00 0.00 N ATOM 603 CA GLN A 36 -7.181 6.483 0.544 1.00 0.00 C ATOM 604 C GLN A 36 -5.938 5.848 1.159 1.00 0.00 C ATOM 605 O GLN A 36 -6.023 4.820 1.832 1.00 0.00 O ATOM 606 CB GLN A 36 -8.029 7.136 1.636 1.00 0.00 C ATOM 607 CG GLN A 36 -8.892 8.282 1.133 1.00 0.00 C ATOM 608 CD GLN A 36 -9.485 8.009 -0.235 1.00 0.00 C ATOM 609 OE1 GLN A 36 -10.295 6.960 -0.331 1.00 0.00 O flip ATOM 610 NE2 GLN A 36 -9.218 8.731 -1.196 1.00 0.00 N flip ATOM 0 H GLN A 36 -8.237 4.679 0.372 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.862 7.248 -0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.671 6.379 2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.371 7.506 2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.698 8.464 1.844 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.293 9.191 1.090 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.591 9.527 -1.077 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.624 8.534 -2.111 1.00 0.00 H new ATOM 619 N ILE A 37 -4.786 6.467 0.924 1.00 0.00 N ATOM 620 CA ILE A 37 -3.526 5.962 1.456 1.00 0.00 C ATOM 621 C ILE A 37 -2.853 6.998 2.350 1.00 0.00 C ATOM 622 O ILE A 37 -2.566 8.120 1.934 1.00 0.00 O ATOM 623 CB ILE A 37 -2.556 5.567 0.327 1.00 0.00 C ATOM 624 CG1 ILE A 37 -3.169 4.464 -0.539 1.00 0.00 C ATOM 625 CG2 ILE A 37 -1.225 5.114 0.907 1.00 0.00 C ATOM 626 CD1 ILE A 37 -3.050 3.083 0.068 1.00 0.00 C ATOM 0 H ILE A 37 -4.699 7.318 0.369 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.764 5.076 2.045 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.378 6.440 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.222 4.689 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.683 4.467 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.550 4.838 0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.785 5.926 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.385 4.252 1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.505 2.352 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.998 2.838 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.561 3.063 1.031 1.00 0.00 H new ATOM 638 N PRO A 38 -2.593 6.613 3.609 1.00 0.00 N ATOM 639 CA PRO A 38 -1.948 7.493 4.588 1.00 0.00 C ATOM 640 C PRO A 38 -0.481 7.750 4.259 1.00 0.00 C ATOM 641 O PRO A 38 0.378 6.901 4.501 1.00 0.00 O ATOM 642 CB PRO A 38 -2.073 6.716 5.900 1.00 0.00 C ATOM 643 CG PRO A 38 -2.176 5.288 5.487 1.00 0.00 C ATOM 644 CD PRO A 38 -2.908 5.290 4.173 1.00 0.00 C ATOM 0 HA PRO A 38 -2.410 8.480 4.615 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.207 6.881 6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.952 7.029 6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.188 4.839 5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.714 4.704 6.233 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.568 4.484 3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.981 5.157 4.311 1.00 0.00 H new ATOM 652 N LEU A 39 -0.200 8.925 3.706 1.00 0.00 N ATOM 653 CA LEU A 39 1.164 9.294 3.344 1.00 0.00 C ATOM 654 C LEU A 39 1.590 10.572 4.059 1.00 0.00 C ATOM 655 O LEU A 39 0.857 11.561 4.072 1.00 0.00 O ATOM 656 CB LEU A 39 1.278 9.480 1.830 1.00 0.00 C ATOM 657 CG LEU A 39 1.014 8.237 0.979 1.00 0.00 C ATOM 658 CD1 LEU A 39 1.413 8.486 -0.467 1.00 0.00 C ATOM 659 CD2 LEU A 39 1.763 7.037 1.542 1.00 0.00 C ATOM 0 H LEU A 39 -0.899 9.638 3.499 1.00 0.00 H new ATOM 0 HA LEU A 39 1.828 8.487 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.579 10.259 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.280 9.845 1.603 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.054 8.020 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.218 7.591 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.833 9.318 -0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.475 8.728 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.564 6.161 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.833 7.244 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.429 6.845 2.562 1.00 0.00 H new ATOM 671 N ASP A 40 2.780 10.545 4.649 1.00 0.00 N ATOM 672 CA ASP A 40 3.306 11.703 5.362 1.00 0.00 C ATOM 673 C ASP A 40 3.296 12.941 4.471 1.00 0.00 C ATOM 674 O ASP A 40 2.818 12.899 3.337 1.00 0.00 O ATOM 675 CB ASP A 40 4.728 11.424 5.853 1.00 0.00 C ATOM 676 CG ASP A 40 4.749 10.637 7.148 1.00 0.00 C ATOM 677 OD1 ASP A 40 4.717 11.268 8.226 1.00 0.00 O ATOM 678 OD2 ASP A 40 4.798 9.391 7.085 1.00 0.00 O ATOM 0 H ASP A 40 3.398 9.734 4.648 1.00 0.00 H new ATOM 0 HA ASP A 40 2.663 11.892 6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.272 10.872 5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.252 12.369 5.997 1.00 0.00 H new ATOM 683 N TYR A 41 3.824 14.043 4.992 1.00 0.00 N ATOM 684 CA TYR A 41 3.873 15.294 4.246 1.00 0.00 C ATOM 685 C TYR A 41 5.304 15.631 3.839 1.00 0.00 C ATOM 686 O TYR A 41 5.538 16.554 3.060 1.00 0.00 O ATOM 687 CB TYR A 41 3.287 16.434 5.081 1.00 0.00 C ATOM 688 CG TYR A 41 4.309 17.144 5.939 1.00 0.00 C ATOM 689 CD1 TYR A 41 5.112 18.147 5.411 1.00 0.00 C ATOM 690 CD2 TYR A 41 4.472 16.812 7.278 1.00 0.00 C ATOM 691 CE1 TYR A 41 6.048 18.798 6.191 1.00 0.00 C ATOM 692 CE2 TYR A 41 5.405 17.458 8.066 1.00 0.00 C ATOM 693 CZ TYR A 41 6.191 18.450 7.518 1.00 0.00 C ATOM 694 OH TYR A 41 7.121 19.097 8.299 1.00 0.00 O ATOM 0 H TYR A 41 4.224 14.095 5.929 1.00 0.00 H new ATOM 0 HA TYR A 41 3.277 15.171 3.342 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.819 17.158 4.414 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.500 16.036 5.722 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.003 18.423 4.373 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.859 16.035 7.711 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.664 19.575 5.764 1.00 0.00 H new ATOM 0 HE2 TYR A 41 5.518 17.188 9.105 1.00 0.00 H new ATOM 0 HH TYR A 41 7.094 18.734 9.209 1.00 0.00 H new ATOM 704 N GLU A 42 6.257 14.874 4.373 1.00 0.00 N ATOM 705 CA GLU A 42 7.666 15.092 4.066 1.00 0.00 C ATOM 706 C GLU A 42 8.274 13.861 3.399 1.00 0.00 C ATOM 707 O GLU A 42 9.224 13.967 2.622 1.00 0.00 O ATOM 708 CB GLU A 42 8.442 15.431 5.340 1.00 0.00 C ATOM 709 CG GLU A 42 7.905 14.741 6.582 1.00 0.00 C ATOM 710 CD GLU A 42 8.949 14.607 7.673 1.00 0.00 C ATOM 711 OE1 GLU A 42 9.654 15.601 7.946 1.00 0.00 O ATOM 712 OE2 GLU A 42 9.061 13.507 8.255 1.00 0.00 O ATOM 0 H GLU A 42 6.080 14.105 5.020 1.00 0.00 H new ATOM 0 HA GLU A 42 7.735 15.931 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.487 15.153 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.417 16.510 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.054 15.303 6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.537 13.751 6.313 1.00 0.00 H new ATOM 719 N THR A 43 7.721 12.693 3.710 1.00 0.00 N ATOM 720 CA THR A 43 8.209 11.442 3.144 1.00 0.00 C ATOM 721 C THR A 43 7.108 10.720 2.375 1.00 0.00 C ATOM 722 O THR A 43 7.380 9.816 1.586 1.00 0.00 O ATOM 723 CB THR A 43 8.754 10.505 4.238 1.00 0.00 C ATOM 724 OG1 THR A 43 7.790 10.365 5.288 1.00 0.00 O ATOM 725 CG2 THR A 43 10.059 11.040 4.808 1.00 0.00 C ATOM 0 H THR A 43 6.935 12.588 4.351 1.00 0.00 H new ATOM 0 HA THR A 43 9.018 11.699 2.460 1.00 0.00 H new ATOM 0 HB THR A 43 8.945 9.530 3.789 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.143 9.766 5.979 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.425 10.362 5.579 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.799 11.117 4.012 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.889 12.025 5.243 1.00 0.00 H new ATOM 733 N GLU A 44 5.864 11.127 2.609 1.00 0.00 N ATOM 734 CA GLU A 44 4.722 10.518 1.937 1.00 0.00 C ATOM 735 C GLU A 44 4.884 9.003 1.856 1.00 0.00 C ATOM 736 O GLU A 44 4.513 8.379 0.861 1.00 0.00 O ATOM 737 CB GLU A 44 4.559 11.101 0.532 1.00 0.00 C ATOM 738 CG GLU A 44 5.843 11.103 -0.279 1.00 0.00 C ATOM 739 CD GLU A 44 5.639 11.612 -1.693 1.00 0.00 C ATOM 740 OE1 GLU A 44 5.151 10.835 -2.540 1.00 0.00 O ATOM 741 OE2 GLU A 44 5.968 12.788 -1.952 1.00 0.00 O ATOM 0 H GLU A 44 5.622 11.875 3.258 1.00 0.00 H new ATOM 0 HA GLU A 44 3.828 10.740 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.802 10.529 -0.004 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.189 12.123 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.585 11.724 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.247 10.091 -0.316 1.00 0.00 H new ATOM 748 N LYS A 45 5.442 8.416 2.909 1.00 0.00 N ATOM 749 CA LYS A 45 5.653 6.974 2.960 1.00 0.00 C ATOM 750 C LYS A 45 4.663 6.312 3.912 1.00 0.00 C ATOM 751 O LYS A 45 4.447 6.787 5.028 1.00 0.00 O ATOM 752 CB LYS A 45 7.086 6.663 3.399 1.00 0.00 C ATOM 753 CG LYS A 45 8.120 6.902 2.313 1.00 0.00 C ATOM 754 CD LYS A 45 9.338 6.012 2.497 1.00 0.00 C ATOM 755 CE LYS A 45 10.579 6.629 1.869 1.00 0.00 C ATOM 756 NZ LYS A 45 11.130 7.735 2.700 1.00 0.00 N ATOM 0 H LYS A 45 5.757 8.917 3.740 1.00 0.00 H new ATOM 0 HA LYS A 45 5.491 6.573 1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.333 7.277 4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.141 5.623 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.674 6.713 1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.427 7.948 2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.511 5.846 3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.148 5.037 2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.340 5.860 1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.334 7.008 0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.076 7.992 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.502 8.562 2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.198 7.425 3.690 1.00 0.00 H new ATOM 770 N HIS A 46 4.065 5.211 3.467 1.00 0.00 N ATOM 771 CA HIS A 46 3.099 4.483 4.281 1.00 0.00 C ATOM 772 C HIS A 46 3.784 3.373 5.074 1.00 0.00 C ATOM 773 O HIS A 46 4.894 2.956 4.744 1.00 0.00 O ATOM 774 CB HIS A 46 1.999 3.891 3.399 1.00 0.00 C ATOM 775 CG HIS A 46 2.337 2.541 2.844 1.00 0.00 C ATOM 776 ND1 HIS A 46 2.646 1.457 3.639 1.00 0.00 N ATOM 777 CD2 HIS A 46 2.413 2.103 1.566 1.00 0.00 C ATOM 778 CE1 HIS A 46 2.898 0.411 2.873 1.00 0.00 C ATOM 779 NE2 HIS A 46 2.763 0.776 1.611 1.00 0.00 N ATOM 0 H HIS A 46 4.233 4.804 2.547 1.00 0.00 H new ATOM 0 HA HIS A 46 2.651 5.185 4.984 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.080 3.816 3.980 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.799 4.574 2.574 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.232 2.688 0.676 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.169 -0.575 3.220 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.897 0.170 0.801 1.00 0.00 H new ATOM 787 N ARG A 47 3.114 2.900 6.120 1.00 0.00 N ATOM 788 CA ARG A 47 3.660 1.841 6.960 1.00 0.00 C ATOM 789 C ARG A 47 3.208 0.469 6.468 1.00 0.00 C ATOM 790 O ARG A 47 3.992 -0.478 6.435 1.00 0.00 O ATOM 791 CB ARG A 47 3.227 2.040 8.414 1.00 0.00 C ATOM 792 CG ARG A 47 4.036 1.224 9.408 1.00 0.00 C ATOM 793 CD ARG A 47 4.132 1.922 10.756 1.00 0.00 C ATOM 794 NE ARG A 47 5.164 2.956 10.764 1.00 0.00 N ATOM 795 CZ ARG A 47 5.708 3.442 11.874 1.00 0.00 C ATOM 796 NH1 ARG A 47 5.321 2.991 13.059 1.00 0.00 N ATOM 797 NH2 ARG A 47 6.642 4.382 11.800 1.00 0.00 N ATOM 0 H ARG A 47 2.193 3.233 6.406 1.00 0.00 H new ATOM 0 HA ARG A 47 4.747 1.890 6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.314 3.096 8.669 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.174 1.774 8.510 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.575 0.245 9.536 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.038 1.056 9.012 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.169 2.369 11.002 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.349 1.187 11.531 1.00 0.00 H new ATOM 0 HE ARG A 47 5.484 3.325 9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.603 2.269 13.120 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.741 3.366 13.909 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.943 4.732 10.890 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.059 4.755 12.653 1.00 0.00 H new ATOM 811 N GLY A 48 1.938 0.372 6.085 1.00 0.00 N ATOM 812 CA GLY A 48 1.404 -0.887 5.600 1.00 0.00 C ATOM 813 C GLY A 48 -0.081 -1.027 5.865 1.00 0.00 C ATOM 814 O GLY A 48 -0.528 -2.028 6.426 1.00 0.00 O ATOM 0 H GLY A 48 1.270 1.143 6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.588 -0.967 4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.934 -1.711 6.077 1.00 0.00 H new ATOM 818 N PHE A 49 -0.850 -0.021 5.462 1.00 0.00 N ATOM 819 CA PHE A 49 -2.295 -0.035 5.661 1.00 0.00 C ATOM 820 C PHE A 49 -2.968 1.063 4.843 1.00 0.00 C ATOM 821 O PHE A 49 -2.320 2.017 4.414 1.00 0.00 O ATOM 822 CB PHE A 49 -2.628 0.141 7.144 1.00 0.00 C ATOM 823 CG PHE A 49 -1.811 1.206 7.819 1.00 0.00 C ATOM 824 CD1 PHE A 49 -1.856 2.518 7.375 1.00 0.00 C ATOM 825 CD2 PHE A 49 -0.999 0.896 8.898 1.00 0.00 C ATOM 826 CE1 PHE A 49 -1.106 3.501 7.994 1.00 0.00 C ATOM 827 CE2 PHE A 49 -0.248 1.874 9.521 1.00 0.00 C ATOM 828 CZ PHE A 49 -0.300 3.178 9.068 1.00 0.00 C ATOM 0 H PHE A 49 -0.497 0.815 4.996 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.674 -0.999 5.322 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.685 0.387 7.244 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.471 -0.807 7.659 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.484 2.776 6.535 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.953 -0.122 9.256 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.150 4.520 7.638 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.380 1.619 10.362 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.288 3.943 9.553 1.00 0.00 H new ATOM 838 N ALA A 50 -4.272 0.919 4.631 1.00 0.00 N ATOM 839 CA ALA A 50 -5.033 1.899 3.865 1.00 0.00 C ATOM 840 C ALA A 50 -6.529 1.607 3.935 1.00 0.00 C ATOM 841 O ALA A 50 -6.944 0.553 4.417 1.00 0.00 O ATOM 842 CB ALA A 50 -4.564 1.918 2.418 1.00 0.00 C ATOM 0 H ALA A 50 -4.823 0.134 4.978 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.860 2.882 4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.141 2.654 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.507 2.181 2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.708 0.932 1.976 1.00 0.00 H new ATOM 848 N PHE A 51 -7.333 2.547 3.450 1.00 0.00 N ATOM 849 CA PHE A 51 -8.783 2.391 3.458 1.00 0.00 C ATOM 850 C PHE A 51 -9.323 2.250 2.038 1.00 0.00 C ATOM 851 O PHE A 51 -8.976 3.027 1.149 1.00 0.00 O ATOM 852 CB PHE A 51 -9.442 3.586 4.150 1.00 0.00 C ATOM 853 CG PHE A 51 -8.879 3.875 5.513 1.00 0.00 C ATOM 854 CD1 PHE A 51 -7.559 4.267 5.663 1.00 0.00 C ATOM 855 CD2 PHE A 51 -9.671 3.754 6.643 1.00 0.00 C ATOM 856 CE1 PHE A 51 -7.039 4.533 6.916 1.00 0.00 C ATOM 857 CE2 PHE A 51 -9.157 4.020 7.898 1.00 0.00 C ATOM 858 CZ PHE A 51 -7.838 4.409 8.035 1.00 0.00 C ATOM 0 H PHE A 51 -7.005 3.425 3.047 1.00 0.00 H new ATOM 0 HA PHE A 51 -9.022 1.482 4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.324 4.469 3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.512 3.399 4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.929 4.366 4.791 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.702 3.448 6.542 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.008 4.838 7.019 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.786 3.924 8.771 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.433 4.615 9.015 1.00 0.00 H new ATOM 868 N VAL A 52 -10.176 1.251 1.833 1.00 0.00 N ATOM 869 CA VAL A 52 -10.765 1.006 0.522 1.00 0.00 C ATOM 870 C VAL A 52 -12.280 1.177 0.560 1.00 0.00 C ATOM 871 O VAL A 52 -12.951 0.646 1.444 1.00 0.00 O ATOM 872 CB VAL A 52 -10.431 -0.408 0.011 1.00 0.00 C ATOM 873 CG1 VAL A 52 -10.929 -0.592 -1.415 1.00 0.00 C ATOM 874 CG2 VAL A 52 -8.935 -0.666 0.099 1.00 0.00 C ATOM 0 H VAL A 52 -10.474 0.599 2.558 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.336 1.740 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.940 -1.134 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.684 -1.597 -1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.010 -0.452 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.451 0.141 -2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.717 -1.670 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.403 0.065 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.611 -0.579 1.136 1.00 0.00 H new ATOM 884 N GLU A 53 -12.811 1.920 -0.406 1.00 0.00 N ATOM 885 CA GLU A 53 -14.247 2.160 -0.482 1.00 0.00 C ATOM 886 C GLU A 53 -14.895 1.258 -1.529 1.00 0.00 C ATOM 887 O GLU A 53 -14.462 1.215 -2.681 1.00 0.00 O ATOM 888 CB GLU A 53 -14.524 3.628 -0.816 1.00 0.00 C ATOM 889 CG GLU A 53 -15.965 4.045 -0.577 1.00 0.00 C ATOM 890 CD GLU A 53 -16.114 5.540 -0.372 1.00 0.00 C ATOM 891 OE1 GLU A 53 -15.380 6.098 0.470 1.00 0.00 O ATOM 892 OE2 GLU A 53 -16.965 6.151 -1.052 1.00 0.00 O ATOM 0 H GLU A 53 -12.269 2.366 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.680 1.928 0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.868 4.258 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.271 3.808 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.574 3.736 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.350 3.522 0.298 1.00 0.00 H new ATOM 899 N PHE A 54 -15.934 0.539 -1.119 1.00 0.00 N ATOM 900 CA PHE A 54 -16.641 -0.364 -2.020 1.00 0.00 C ATOM 901 C PHE A 54 -17.891 0.303 -2.587 1.00 0.00 C ATOM 902 O PHE A 54 -18.387 1.284 -2.036 1.00 0.00 O ATOM 903 CB PHE A 54 -17.024 -1.652 -1.288 1.00 0.00 C ATOM 904 CG PHE A 54 -15.882 -2.616 -1.133 1.00 0.00 C ATOM 905 CD1 PHE A 54 -14.709 -2.225 -0.509 1.00 0.00 C ATOM 906 CD2 PHE A 54 -15.983 -3.912 -1.613 1.00 0.00 C ATOM 907 CE1 PHE A 54 -13.656 -3.110 -0.365 1.00 0.00 C ATOM 908 CE2 PHE A 54 -14.934 -4.801 -1.471 1.00 0.00 C ATOM 909 CZ PHE A 54 -13.769 -4.399 -0.847 1.00 0.00 C ATOM 0 H PHE A 54 -16.305 0.564 -0.169 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.974 -0.609 -2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.411 -1.398 -0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.832 -2.143 -1.831 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.616 -1.218 -0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.891 -4.231 -2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.747 -2.793 0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.025 -5.809 -1.848 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.948 -5.092 -0.736 1.00 0.00 H new ATOM 919 N GLU A 55 -18.393 -0.239 -3.693 1.00 0.00 N ATOM 920 CA GLU A 55 -19.584 0.305 -4.336 1.00 0.00 C ATOM 921 C GLU A 55 -20.821 0.077 -3.471 1.00 0.00 C ATOM 922 O GLU A 55 -21.701 0.935 -3.389 1.00 0.00 O ATOM 923 CB GLU A 55 -19.785 -0.335 -5.711 1.00 0.00 C ATOM 924 CG GLU A 55 -20.767 0.416 -6.594 1.00 0.00 C ATOM 925 CD GLU A 55 -21.134 -0.356 -7.847 1.00 0.00 C ATOM 926 OE1 GLU A 55 -21.674 -1.475 -7.718 1.00 0.00 O ATOM 927 OE2 GLU A 55 -20.881 0.159 -8.956 1.00 0.00 O ATOM 0 H GLU A 55 -17.994 -1.053 -4.161 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.441 1.378 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.823 -0.393 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -20.137 -1.358 -5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -21.672 0.629 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -20.335 1.376 -6.877 1.00 0.00 H new ATOM 934 N LEU A 56 -20.881 -1.084 -2.829 1.00 0.00 N ATOM 935 CA LEU A 56 -22.010 -1.426 -1.971 1.00 0.00 C ATOM 936 C LEU A 56 -21.530 -1.876 -0.595 1.00 0.00 C ATOM 937 O LEU A 56 -20.366 -2.233 -0.418 1.00 0.00 O ATOM 938 CB LEU A 56 -22.851 -2.529 -2.616 1.00 0.00 C ATOM 939 CG LEU A 56 -23.432 -2.210 -3.994 1.00 0.00 C ATOM 940 CD1 LEU A 56 -23.943 -3.476 -4.664 1.00 0.00 C ATOM 941 CD2 LEU A 56 -24.546 -1.180 -3.878 1.00 0.00 C ATOM 0 H LEU A 56 -20.161 -1.805 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.625 -0.534 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.236 -3.425 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.674 -2.771 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.639 -1.790 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.353 -3.229 -5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -23.121 -4.182 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.722 -3.925 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.948 -0.965 -4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.339 -1.572 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.150 -0.264 -3.441 1.00 0.00 H new ATOM 953 N ALA A 57 -22.437 -1.858 0.377 1.00 0.00 N ATOM 954 CA ALA A 57 -22.108 -2.269 1.736 1.00 0.00 C ATOM 955 C ALA A 57 -21.902 -3.777 1.820 1.00 0.00 C ATOM 956 O ALA A 57 -20.937 -4.248 2.421 1.00 0.00 O ATOM 957 CB ALA A 57 -23.200 -1.829 2.700 1.00 0.00 C ATOM 0 H ALA A 57 -23.405 -1.563 0.248 1.00 0.00 H new ATOM 0 HA ALA A 57 -21.173 -1.785 2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.941 -2.143 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -23.296 -0.744 2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -24.147 -2.285 2.410 1.00 0.00 H new ATOM 963 N GLU A 58 -22.816 -4.529 1.214 1.00 0.00 N ATOM 964 CA GLU A 58 -22.735 -5.985 1.223 1.00 0.00 C ATOM 965 C GLU A 58 -21.395 -6.458 0.667 1.00 0.00 C ATOM 966 O GLU A 58 -20.678 -7.223 1.312 1.00 0.00 O ATOM 967 CB GLU A 58 -23.879 -6.587 0.406 1.00 0.00 C ATOM 968 CG GLU A 58 -23.871 -6.167 -1.055 1.00 0.00 C ATOM 969 CD GLU A 58 -25.150 -6.545 -1.778 1.00 0.00 C ATOM 970 OE1 GLU A 58 -26.238 -6.171 -1.291 1.00 0.00 O ATOM 971 OE2 GLU A 58 -25.062 -7.213 -2.829 1.00 0.00 O ATOM 0 H GLU A 58 -23.620 -4.154 0.711 1.00 0.00 H new ATOM 0 HA GLU A 58 -22.820 -6.322 2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -23.822 -7.674 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -24.828 -6.293 0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -23.728 -5.088 -1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -23.023 -6.631 -1.558 1.00 0.00 H new ATOM 978 N ASP A 59 -21.064 -5.997 -0.535 1.00 0.00 N ATOM 979 CA ASP A 59 -19.810 -6.372 -1.179 1.00 0.00 C ATOM 980 C ASP A 59 -18.634 -6.195 -0.223 1.00 0.00 C ATOM 981 O ASP A 59 -17.760 -7.056 -0.133 1.00 0.00 O ATOM 982 CB ASP A 59 -19.590 -5.535 -2.440 1.00 0.00 C ATOM 983 CG ASP A 59 -20.371 -6.060 -3.628 1.00 0.00 C ATOM 984 OD1 ASP A 59 -21.596 -6.259 -3.490 1.00 0.00 O ATOM 985 OD2 ASP A 59 -19.757 -6.274 -4.694 1.00 0.00 O ATOM 0 H ASP A 59 -21.646 -5.363 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.873 -7.424 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.883 -4.504 -2.243 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.528 -5.523 -2.684 1.00 0.00 H new ATOM 990 N ALA A 60 -18.620 -5.072 0.487 1.00 0.00 N ATOM 991 CA ALA A 60 -17.552 -4.782 1.436 1.00 0.00 C ATOM 992 C ALA A 60 -17.438 -5.881 2.487 1.00 0.00 C ATOM 993 O ALA A 60 -16.364 -6.443 2.697 1.00 0.00 O ATOM 994 CB ALA A 60 -17.790 -3.435 2.103 1.00 0.00 C ATOM 0 H ALA A 60 -19.336 -4.348 0.423 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.612 -4.742 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -16.985 -3.231 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.814 -2.653 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.742 -3.455 2.634 1.00 0.00 H new ATOM 1000 N ALA A 61 -18.553 -6.183 3.144 1.00 0.00 N ATOM 1001 CA ALA A 61 -18.578 -7.216 4.172 1.00 0.00 C ATOM 1002 C ALA A 61 -17.969 -8.516 3.659 1.00 0.00 C ATOM 1003 O ALA A 61 -17.239 -9.198 4.378 1.00 0.00 O ATOM 1004 CB ALA A 61 -20.004 -7.451 4.650 1.00 0.00 C ATOM 0 H ALA A 61 -19.451 -5.727 2.983 1.00 0.00 H new ATOM 0 HA ALA A 61 -17.977 -6.871 5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -20.008 -8.225 5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -20.406 -6.527 5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -20.621 -7.770 3.810 1.00 0.00 H new ATOM 1010 N ALA A 62 -18.274 -8.855 2.410 1.00 0.00 N ATOM 1011 CA ALA A 62 -17.755 -10.073 1.801 1.00 0.00 C ATOM 1012 C ALA A 62 -16.238 -10.013 1.659 1.00 0.00 C ATOM 1013 O ALA A 62 -15.541 -10.989 1.930 1.00 0.00 O ATOM 1014 CB ALA A 62 -18.406 -10.303 0.444 1.00 0.00 C ATOM 0 H ALA A 62 -18.878 -8.303 1.801 1.00 0.00 H new ATOM 0 HA ALA A 62 -17.999 -10.910 2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -18.009 -11.216 0.000 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.484 -10.399 0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.191 -9.458 -0.211 1.00 0.00 H new ATOM 1020 N ALA A 63 -15.734 -8.860 1.231 1.00 0.00 N ATOM 1021 CA ALA A 63 -14.299 -8.672 1.054 1.00 0.00 C ATOM 1022 C ALA A 63 -13.549 -8.913 2.360 1.00 0.00 C ATOM 1023 O ALA A 63 -12.467 -9.500 2.365 1.00 0.00 O ATOM 1024 CB ALA A 63 -14.011 -7.274 0.527 1.00 0.00 C ATOM 0 H ALA A 63 -16.298 -8.042 1.000 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.949 -9.402 0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.936 -7.148 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.509 -7.137 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.382 -6.534 1.236 1.00 0.00 H new ATOM 1030 N ILE A 64 -14.130 -8.455 3.464 1.00 0.00 N ATOM 1031 CA ILE A 64 -13.516 -8.621 4.775 1.00 0.00 C ATOM 1032 C ILE A 64 -13.509 -10.087 5.197 1.00 0.00 C ATOM 1033 O ILE A 64 -12.449 -10.686 5.379 1.00 0.00 O ATOM 1034 CB ILE A 64 -14.247 -7.793 5.848 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -14.294 -6.319 5.442 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -13.564 -7.955 7.198 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -15.073 -5.451 6.405 1.00 0.00 C ATOM 0 H ILE A 64 -15.025 -7.966 3.476 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.489 -8.265 4.690 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.270 -8.159 5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.275 -5.939 5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.740 -6.238 4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.092 -7.364 7.946 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.578 -9.005 7.489 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.532 -7.612 7.127 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.064 -4.419 6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.102 -5.805 6.463 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.615 -5.502 7.393 1.00 0.00 H new ATOM 1049 N ASP A 65 -14.699 -10.658 5.348 1.00 0.00 N ATOM 1050 CA ASP A 65 -14.831 -12.055 5.746 1.00 0.00 C ATOM 1051 C ASP A 65 -13.756 -12.913 5.084 1.00 0.00 C ATOM 1052 O ASP A 65 -13.362 -13.950 5.614 1.00 0.00 O ATOM 1053 CB ASP A 65 -16.219 -12.583 5.380 1.00 0.00 C ATOM 1054 CG ASP A 65 -17.232 -12.360 6.486 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -17.004 -12.856 7.609 1.00 0.00 O ATOM 1056 OD2 ASP A 65 -18.255 -11.690 6.227 1.00 0.00 O ATOM 0 H ASP A 65 -15.586 -10.176 5.201 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.702 -12.113 6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.564 -12.091 4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.153 -13.649 5.161 1.00 0.00 H new ATOM 1061 N ASN A 66 -13.288 -12.471 3.921 1.00 0.00 N ATOM 1062 CA ASN A 66 -12.261 -13.199 3.185 1.00 0.00 C ATOM 1063 C ASN A 66 -10.892 -12.553 3.378 1.00 0.00 C ATOM 1064 O ASN A 66 -10.049 -13.069 4.111 1.00 0.00 O ATOM 1065 CB ASN A 66 -12.608 -13.247 1.695 1.00 0.00 C ATOM 1066 CG ASN A 66 -13.799 -14.142 1.408 1.00 0.00 C ATOM 1067 OD1 ASN A 66 -13.650 -15.235 0.863 1.00 0.00 O ATOM 1068 ND2 ASN A 66 -14.988 -13.679 1.774 1.00 0.00 N ATOM 0 H ASN A 66 -13.603 -11.613 3.468 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.222 -14.216 3.576 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.821 -12.238 1.342 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.744 -13.605 1.135 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -15.826 -14.236 1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.064 -12.766 2.223 1.00 0.00 H new ATOM 1075 N MET A 67 -10.680 -11.420 2.716 1.00 0.00 N ATOM 1076 CA MET A 67 -9.414 -10.703 2.817 1.00 0.00 C ATOM 1077 C MET A 67 -8.845 -10.800 4.228 1.00 0.00 C ATOM 1078 O MET A 67 -7.657 -11.063 4.411 1.00 0.00 O ATOM 1079 CB MET A 67 -9.604 -9.234 2.432 1.00 0.00 C ATOM 1080 CG MET A 67 -9.935 -9.029 0.962 1.00 0.00 C ATOM 1081 SD MET A 67 -8.773 -9.865 -0.135 1.00 0.00 S ATOM 1082 CE MET A 67 -7.243 -9.044 0.305 1.00 0.00 C ATOM 0 H MET A 67 -11.367 -10.979 2.105 1.00 0.00 H new ATOM 0 HA MET A 67 -8.708 -11.165 2.127 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.403 -8.808 3.039 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.694 -8.683 2.671 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.942 -9.396 0.766 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.936 -7.962 0.739 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.838 -8.536 -0.570 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.435 -8.314 1.092 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.524 -9.781 0.661 1.00 0.00 H new ATOM 1092 N ASN A 68 -9.700 -10.587 5.223 1.00 0.00 N ATOM 1093 CA ASN A 68 -9.281 -10.651 6.619 1.00 0.00 C ATOM 1094 C ASN A 68 -8.365 -11.847 6.857 1.00 0.00 C ATOM 1095 O ASN A 68 -8.731 -12.987 6.577 1.00 0.00 O ATOM 1096 CB ASN A 68 -10.502 -10.739 7.536 1.00 0.00 C ATOM 1097 CG ASN A 68 -11.061 -12.146 7.622 1.00 0.00 C ATOM 1098 OD1 ASN A 68 -10.912 -12.771 8.784 1.00 0.00 O flip ATOM 1099 ND2 ASN A 68 -11.619 -12.664 6.655 1.00 0.00 N flip ATOM 0 H ASN A 68 -10.687 -10.369 5.089 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.728 -9.740 6.849 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.228 -10.398 8.535 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.277 -10.065 7.170 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.711 -12.146 5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.990 -13.612 6.727 1.00 0.00 H new ATOM 1106 N GLU A 69 -7.171 -11.577 7.378 1.00 0.00 N ATOM 1107 CA GLU A 69 -6.203 -12.631 7.654 1.00 0.00 C ATOM 1108 C GLU A 69 -5.930 -13.461 6.403 1.00 0.00 C ATOM 1109 O GLU A 69 -5.893 -14.690 6.456 1.00 0.00 O ATOM 1110 CB GLU A 69 -6.708 -13.536 8.779 1.00 0.00 C ATOM 1111 CG GLU A 69 -6.942 -12.805 10.091 1.00 0.00 C ATOM 1112 CD GLU A 69 -7.763 -13.617 11.073 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -7.373 -14.767 11.363 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -8.796 -13.103 11.552 1.00 0.00 O ATOM 0 H GLU A 69 -6.852 -10.638 7.617 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.271 -12.160 7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.639 -14.007 8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.986 -14.336 8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.981 -12.560 10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.450 -11.862 9.891 1.00 0.00 H new ATOM 1121 N SER A 70 -5.740 -12.779 5.278 1.00 0.00 N ATOM 1122 CA SER A 70 -5.474 -13.452 4.012 1.00 0.00 C ATOM 1123 C SER A 70 -3.986 -13.417 3.679 1.00 0.00 C ATOM 1124 O SER A 70 -3.175 -12.927 4.465 1.00 0.00 O ATOM 1125 CB SER A 70 -6.276 -12.798 2.884 1.00 0.00 C ATOM 1126 OG SER A 70 -7.653 -13.113 2.989 1.00 0.00 O ATOM 0 H SER A 70 -5.765 -11.761 5.217 1.00 0.00 H new ATOM 0 HA SER A 70 -5.781 -14.493 4.111 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.143 -11.717 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.895 -13.135 1.920 1.00 0.00 H new ATOM 0 HG SER A 70 -7.972 -12.889 3.888 1.00 0.00 H new ATOM 1132 N GLU A 71 -3.635 -13.941 2.509 1.00 0.00 N ATOM 1133 CA GLU A 71 -2.244 -13.971 2.073 1.00 0.00 C ATOM 1134 C GLU A 71 -2.028 -13.045 0.879 1.00 0.00 C ATOM 1135 O GLU A 71 -2.439 -13.352 -0.241 1.00 0.00 O ATOM 1136 CB GLU A 71 -1.831 -15.398 1.706 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.346 -15.548 1.422 1.00 0.00 C ATOM 1138 CD GLU A 71 0.120 -16.989 1.504 1.00 0.00 C ATOM 1139 OE1 GLU A 71 -0.498 -17.770 2.257 1.00 0.00 O ATOM 1140 OE2 GLU A 71 1.104 -17.335 0.816 1.00 0.00 O ATOM 0 H GLU A 71 -4.294 -14.350 1.847 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.624 -13.622 2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.106 -16.068 2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.394 -15.716 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.128 -15.155 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.219 -14.946 2.134 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.382 -11.911 1.126 1.00 0.00 N ATOM 1148 CA LEU A 72 -1.111 -10.939 0.072 1.00 0.00 C ATOM 1149 C LEU A 72 0.384 -10.665 -0.044 1.00 0.00 C ATOM 1150 O LEU A 72 1.016 -10.195 0.902 1.00 0.00 O ATOM 1151 CB LEU A 72 -1.861 -9.635 0.350 1.00 0.00 C ATOM 1152 CG LEU A 72 -1.866 -8.609 -0.784 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -2.816 -9.041 -1.890 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -2.248 -7.234 -0.258 1.00 0.00 C ATOM 0 H LEU A 72 -1.036 -11.642 2.047 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.459 -11.357 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.894 -9.879 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.424 -9.169 1.233 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.860 -8.550 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.806 -8.299 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.498 -10.005 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.826 -9.129 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.246 -6.517 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.243 -7.277 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.528 -6.921 0.499 1.00 0.00 H new ATOM 1166 N PHE A 73 0.946 -10.960 -1.212 1.00 0.00 N ATOM 1167 CA PHE A 73 2.367 -10.744 -1.454 1.00 0.00 C ATOM 1168 C PHE A 73 3.214 -11.619 -0.535 1.00 0.00 C ATOM 1169 O PHE A 73 4.278 -11.207 -0.074 1.00 0.00 O ATOM 1170 CB PHE A 73 2.724 -9.270 -1.244 1.00 0.00 C ATOM 1171 CG PHE A 73 2.560 -8.432 -2.480 1.00 0.00 C ATOM 1172 CD1 PHE A 73 1.332 -8.345 -3.116 1.00 0.00 C ATOM 1173 CD2 PHE A 73 3.634 -7.732 -3.005 1.00 0.00 C ATOM 1174 CE1 PHE A 73 1.178 -7.575 -4.253 1.00 0.00 C ATOM 1175 CE2 PHE A 73 3.486 -6.960 -4.142 1.00 0.00 C ATOM 1176 CZ PHE A 73 2.257 -6.882 -4.767 1.00 0.00 C ATOM 0 H PHE A 73 0.438 -11.350 -2.006 1.00 0.00 H new ATOM 0 HA PHE A 73 2.580 -11.019 -2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.096 -8.862 -0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.756 -9.200 -0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.486 -8.885 -2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.598 -7.790 -2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.215 -7.515 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.331 -6.418 -4.541 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.140 -6.280 -5.656 1.00 0.00 H new ATOM 1186 N GLY A 74 2.733 -12.830 -0.272 1.00 0.00 N ATOM 1187 CA GLY A 74 3.457 -13.745 0.592 1.00 0.00 C ATOM 1188 C GLY A 74 3.500 -13.272 2.031 1.00 0.00 C ATOM 1189 O GLY A 74 4.490 -13.485 2.732 1.00 0.00 O ATOM 0 H GLY A 74 1.855 -13.194 -0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.988 -14.728 0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.475 -13.862 0.221 1.00 0.00 H new ATOM 1193 N ARG A 75 2.426 -12.627 2.473 1.00 0.00 N ATOM 1194 CA ARG A 75 2.346 -12.120 3.838 1.00 0.00 C ATOM 1195 C ARG A 75 0.903 -12.115 4.333 1.00 0.00 C ATOM 1196 O ARG A 75 -0.037 -12.186 3.541 1.00 0.00 O ATOM 1197 CB ARG A 75 2.928 -10.707 3.914 1.00 0.00 C ATOM 1198 CG ARG A 75 1.893 -9.611 3.719 1.00 0.00 C ATOM 1199 CD ARG A 75 2.504 -8.377 3.073 1.00 0.00 C ATOM 1200 NE ARG A 75 3.910 -8.212 3.429 1.00 0.00 N ATOM 1201 CZ ARG A 75 4.323 -7.819 4.629 1.00 0.00 C ATOM 1202 NH1 ARG A 75 3.442 -7.552 5.583 1.00 0.00 N ATOM 1203 NH2 ARG A 75 5.621 -7.692 4.877 1.00 0.00 N ATOM 0 H ARG A 75 1.599 -12.443 1.906 1.00 0.00 H new ATOM 0 HA ARG A 75 2.929 -12.781 4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.409 -10.573 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.704 -10.601 3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.079 -9.984 3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.460 -9.342 4.683 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.411 -8.451 1.990 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.946 -7.493 3.381 1.00 0.00 H new ATOM 0 HE ARG A 75 4.614 -8.409 2.718 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.444 -7.648 5.397 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.762 -7.251 6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.302 -7.896 4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.937 -7.390 5.799 1.00 0.00 H new ATOM 1217 N THR A 76 0.735 -12.031 5.649 1.00 0.00 N ATOM 1218 CA THR A 76 -0.593 -12.018 6.250 1.00 0.00 C ATOM 1219 C THR A 76 -1.092 -10.592 6.450 1.00 0.00 C ATOM 1220 O THR A 76 -0.476 -9.803 7.166 1.00 0.00 O ATOM 1221 CB THR A 76 -0.602 -12.748 7.607 1.00 0.00 C ATOM 1222 OG1 THR A 76 0.110 -13.986 7.502 1.00 0.00 O ATOM 1223 CG2 THR A 76 -2.027 -13.015 8.068 1.00 0.00 C ATOM 0 H THR A 76 1.502 -11.971 6.319 1.00 0.00 H new ATOM 0 HA THR A 76 -1.257 -12.539 5.561 1.00 0.00 H new ATOM 0 HB THR A 76 -0.113 -12.109 8.342 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.101 -14.443 8.369 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.008 -13.531 9.028 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.558 -12.069 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.537 -13.636 7.332 1.00 0.00 H new ATOM 1231 N ILE A 77 -2.213 -10.268 5.813 1.00 0.00 N ATOM 1232 CA ILE A 77 -2.796 -8.936 5.923 1.00 0.00 C ATOM 1233 C ILE A 77 -4.036 -8.951 6.810 1.00 0.00 C ATOM 1234 O ILE A 77 -4.759 -9.946 6.867 1.00 0.00 O ATOM 1235 CB ILE A 77 -3.173 -8.371 4.541 1.00 0.00 C ATOM 1236 CG1 ILE A 77 -3.946 -9.414 3.733 1.00 0.00 C ATOM 1237 CG2 ILE A 77 -1.925 -7.931 3.791 1.00 0.00 C ATOM 1238 CD1 ILE A 77 -4.744 -8.824 2.591 1.00 0.00 C ATOM 0 H ILE A 77 -2.735 -10.909 5.216 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.038 -8.295 6.373 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.814 -7.501 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.244 -10.147 3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.622 -9.950 4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.207 -7.534 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.411 -7.158 4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.261 -8.785 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.266 -9.621 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.470 -8.113 2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.071 -8.312 1.903 1.00 0.00 H new ATOM 1250 N ARG A 78 -4.277 -7.840 7.499 1.00 0.00 N ATOM 1251 CA ARG A 78 -5.431 -7.725 8.382 1.00 0.00 C ATOM 1252 C ARG A 78 -6.504 -6.834 7.762 1.00 0.00 C ATOM 1253 O ARG A 78 -6.240 -5.689 7.397 1.00 0.00 O ATOM 1254 CB ARG A 78 -5.007 -7.160 9.739 1.00 0.00 C ATOM 1255 CG ARG A 78 -5.878 -7.630 10.893 1.00 0.00 C ATOM 1256 CD ARG A 78 -5.119 -7.601 12.211 1.00 0.00 C ATOM 1257 NE ARG A 78 -6.012 -7.423 13.353 1.00 0.00 N ATOM 1258 CZ ARG A 78 -6.843 -8.363 13.789 1.00 0.00 C ATOM 1259 NH1 ARG A 78 -6.895 -9.541 13.183 1.00 0.00 N ATOM 1260 NH2 ARG A 78 -7.625 -8.126 14.835 1.00 0.00 N ATOM 0 H ARG A 78 -3.689 -7.008 7.463 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.848 -8.722 8.525 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.973 -7.445 9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.034 -6.071 9.694 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.761 -6.995 10.966 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.229 -8.643 10.696 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.561 -8.530 12.328 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.390 -6.791 12.192 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.997 -6.528 13.842 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.296 -9.728 12.379 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.534 -10.260 13.521 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.588 -7.221 15.305 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.263 -8.849 15.169 1.00 0.00 H new ATOM 1274 N VAL A 79 -7.715 -7.369 7.646 1.00 0.00 N ATOM 1275 CA VAL A 79 -8.828 -6.624 7.070 1.00 0.00 C ATOM 1276 C VAL A 79 -9.988 -6.521 8.054 1.00 0.00 C ATOM 1277 O VAL A 79 -10.363 -7.503 8.693 1.00 0.00 O ATOM 1278 CB VAL A 79 -9.330 -7.278 5.770 1.00 0.00 C ATOM 1279 CG1 VAL A 79 -10.383 -6.406 5.104 1.00 0.00 C ATOM 1280 CG2 VAL A 79 -8.168 -7.542 4.824 1.00 0.00 C ATOM 0 H VAL A 79 -7.950 -8.316 7.943 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.456 -5.625 6.844 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.791 -8.234 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.725 -6.885 4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.227 -6.273 5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.953 -5.433 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.541 -8.005 3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.677 -6.600 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.453 -8.211 5.304 1.00 0.00 H new ATOM 1290 N ASN A 80 -10.553 -5.323 8.172 1.00 0.00 N ATOM 1291 CA ASN A 80 -11.671 -5.091 9.079 1.00 0.00 C ATOM 1292 C ASN A 80 -12.304 -3.726 8.824 1.00 0.00 C ATOM 1293 O ASN A 80 -11.681 -2.841 8.235 1.00 0.00 O ATOM 1294 CB ASN A 80 -11.204 -5.186 10.533 1.00 0.00 C ATOM 1295 CG ASN A 80 -12.348 -5.453 11.492 1.00 0.00 C ATOM 1296 OD1 ASN A 80 -12.753 -6.599 11.688 1.00 0.00 O ATOM 1297 ND2 ASN A 80 -12.874 -4.393 12.094 1.00 0.00 N ATOM 0 H ASN A 80 -10.255 -4.499 7.651 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.421 -5.860 8.895 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.465 -5.982 10.623 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.708 -4.257 10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.646 -4.510 12.750 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.506 -3.462 11.901 1.00 0.00 H new ATOM 1304 N LEU A 81 -13.543 -3.562 9.273 1.00 0.00 N ATOM 1305 CA LEU A 81 -14.261 -2.305 9.095 1.00 0.00 C ATOM 1306 C LEU A 81 -13.443 -1.131 9.624 1.00 0.00 C ATOM 1307 O LEU A 81 -12.886 -1.193 10.720 1.00 0.00 O ATOM 1308 CB LEU A 81 -15.613 -2.361 9.808 1.00 0.00 C ATOM 1309 CG LEU A 81 -16.733 -3.090 9.066 1.00 0.00 C ATOM 1310 CD1 LEU A 81 -17.976 -3.187 9.938 1.00 0.00 C ATOM 1311 CD2 LEU A 81 -17.053 -2.385 7.756 1.00 0.00 C ATOM 0 H LEU A 81 -14.072 -4.284 9.763 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.426 -2.158 8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.471 -2.843 10.775 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -15.940 -1.340 10.005 1.00 0.00 H new ATOM 0 HG LEU A 81 -16.393 -4.100 8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -18.763 -3.709 9.393 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -17.739 -3.737 10.849 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -18.318 -2.185 10.197 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -17.853 -2.918 7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -17.372 -1.363 7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -16.164 -2.368 7.125 1.00 0.00 H new ATOM 1323 N ALA A 82 -13.376 -0.061 8.838 1.00 0.00 N ATOM 1324 CA ALA A 82 -12.629 1.128 9.228 1.00 0.00 C ATOM 1325 C ALA A 82 -13.104 1.655 10.578 1.00 0.00 C ATOM 1326 O ALA A 82 -14.293 1.601 10.895 1.00 0.00 O ATOM 1327 CB ALA A 82 -12.760 2.207 8.163 1.00 0.00 C ATOM 0 H ALA A 82 -13.830 0.006 7.927 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.579 0.852 9.323 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.197 3.089 8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.367 1.834 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.810 2.471 8.040 1.00 0.00 H new ATOM 1333 N LYS A 83 -12.168 2.165 11.372 1.00 0.00 N ATOM 1334 CA LYS A 83 -12.490 2.703 12.688 1.00 0.00 C ATOM 1335 C LYS A 83 -12.891 4.172 12.593 1.00 0.00 C ATOM 1336 O LYS A 83 -12.572 4.865 11.627 1.00 0.00 O ATOM 1337 CB LYS A 83 -11.293 2.550 13.630 1.00 0.00 C ATOM 1338 CG LYS A 83 -10.451 3.808 13.752 1.00 0.00 C ATOM 1339 CD LYS A 83 -9.301 3.617 14.727 1.00 0.00 C ATOM 1340 CE LYS A 83 -8.171 4.598 14.456 1.00 0.00 C ATOM 1341 NZ LYS A 83 -8.603 6.010 14.654 1.00 0.00 N ATOM 0 H LYS A 83 -11.179 2.217 11.126 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.334 2.140 13.087 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.653 2.267 14.619 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.663 1.734 13.274 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.057 4.080 12.773 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.078 4.636 14.085 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.662 3.749 15.747 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.924 2.597 14.652 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.333 4.378 15.117 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.814 4.467 13.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.800 6.647 14.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.375 6.233 13.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.936 6.137 15.631 1.00 0.00 H new ATOM 1355 N PRO A 84 -13.606 4.658 13.618 1.00 0.00 N ATOM 1356 CA PRO A 84 -14.064 6.050 13.673 1.00 0.00 C ATOM 1357 C PRO A 84 -12.915 7.030 13.881 1.00 0.00 C ATOM 1358 O PRO A 84 -11.750 6.686 13.686 1.00 0.00 O ATOM 1359 CB PRO A 84 -15.005 6.066 14.880 1.00 0.00 C ATOM 1360 CG PRO A 84 -14.536 4.944 15.741 1.00 0.00 C ATOM 1361 CD PRO A 84 -14.022 3.888 14.802 1.00 0.00 C ATOM 0 HA PRO A 84 -14.538 6.361 12.742 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.955 7.018 15.408 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.042 5.925 14.575 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.752 5.276 16.422 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.349 4.557 16.355 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -13.188 3.336 15.236 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.794 3.159 14.556 1.00 0.00 H new ATOM 1369 N MET A 85 -13.251 8.253 14.278 1.00 0.00 N ATOM 1370 CA MET A 85 -12.246 9.283 14.514 1.00 0.00 C ATOM 1371 C MET A 85 -12.233 9.705 15.980 1.00 0.00 C ATOM 1372 O MET A 85 -13.003 9.189 16.790 1.00 0.00 O ATOM 1373 CB MET A 85 -12.512 10.499 13.624 1.00 0.00 C ATOM 1374 CG MET A 85 -13.893 11.104 13.819 1.00 0.00 C ATOM 1375 SD MET A 85 -13.980 12.190 15.255 1.00 0.00 S ATOM 1376 CE MET A 85 -14.988 11.208 16.362 1.00 0.00 C ATOM 0 H MET A 85 -14.211 8.555 14.443 1.00 0.00 H new ATOM 0 HA MET A 85 -11.270 8.866 14.266 1.00 0.00 H new ATOM 0 HB2 MET A 85 -11.759 11.260 13.828 1.00 0.00 H new ATOM 0 HB3 MET A 85 -12.396 10.207 12.580 1.00 0.00 H new ATOM 0 HG2 MET A 85 -14.168 11.666 12.926 1.00 0.00 H new ATOM 0 HG3 MET A 85 -14.624 10.303 13.930 1.00 0.00 H new ATOM 0 HE1 MET A 85 -15.942 11.709 16.527 1.00 0.00 H new ATOM 0 HE2 MET A 85 -15.165 10.228 15.920 1.00 0.00 H new ATOM 0 HE3 MET A 85 -14.472 11.089 17.315 1.00 0.00 H new ATOM 1386 N ARG A 86 -11.354 10.644 16.313 1.00 0.00 N ATOM 1387 CA ARG A 86 -11.240 11.132 17.682 1.00 0.00 C ATOM 1388 C ARG A 86 -11.755 12.565 17.792 1.00 0.00 C ATOM 1389 O ARG A 86 -11.832 13.285 16.797 1.00 0.00 O ATOM 1390 CB ARG A 86 -9.785 11.064 18.151 1.00 0.00 C ATOM 1391 CG ARG A 86 -8.854 11.987 17.382 1.00 0.00 C ATOM 1392 CD ARG A 86 -7.596 12.298 18.179 1.00 0.00 C ATOM 1393 NE ARG A 86 -6.458 12.594 17.312 1.00 0.00 N ATOM 1394 CZ ARG A 86 -5.844 11.680 16.569 1.00 0.00 C ATOM 1395 NH1 ARG A 86 -6.256 10.420 16.586 1.00 0.00 N ATOM 1396 NH2 ARG A 86 -4.816 12.026 15.805 1.00 0.00 N ATOM 0 H ARG A 86 -10.711 11.082 15.654 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.850 10.494 18.321 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.741 11.318 19.210 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.428 10.039 18.054 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.580 11.523 16.434 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.374 12.915 17.144 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.783 13.148 18.835 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.353 11.450 18.819 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.116 13.554 17.275 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.047 10.150 17.171 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.782 9.721 16.014 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.497 12.995 15.788 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.345 11.323 15.235 1.00 0.00 H new ATOM 1410 N ILE A 87 -12.105 12.969 19.008 1.00 0.00 N ATOM 1411 CA ILE A 87 -12.612 14.315 19.248 1.00 0.00 C ATOM 1412 C ILE A 87 -11.935 14.949 20.459 1.00 0.00 C ATOM 1413 O ILE A 87 -11.181 14.293 21.177 1.00 0.00 O ATOM 1414 CB ILE A 87 -14.136 14.311 19.470 1.00 0.00 C ATOM 1415 CG1 ILE A 87 -14.528 13.207 20.454 1.00 0.00 C ATOM 1416 CG2 ILE A 87 -14.863 14.131 18.145 1.00 0.00 C ATOM 1417 CD1 ILE A 87 -14.407 13.619 21.904 1.00 0.00 C ATOM 0 H ILE A 87 -12.047 12.385 19.842 1.00 0.00 H new ATOM 0 HA ILE A 87 -12.384 14.902 18.358 1.00 0.00 H new ATOM 0 HB ILE A 87 -14.429 15.271 19.896 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -15.556 12.903 20.256 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -13.898 12.335 20.279 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -15.939 14.130 18.318 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.604 14.950 17.474 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.567 13.184 17.693 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -14.701 12.787 22.544 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -13.375 13.895 22.119 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -15.058 14.472 22.095 1.00 0.00 H new ATOM 1429 N LYS A 88 -12.212 16.230 20.681 1.00 0.00 N ATOM 1430 CA LYS A 88 -11.634 16.954 21.807 1.00 0.00 C ATOM 1431 C LYS A 88 -12.725 17.475 22.737 1.00 0.00 C ATOM 1432 O LYS A 88 -13.568 18.274 22.332 1.00 0.00 O ATOM 1433 CB LYS A 88 -10.778 18.119 21.304 1.00 0.00 C ATOM 1434 CG LYS A 88 -10.113 18.910 22.418 1.00 0.00 C ATOM 1435 CD LYS A 88 -9.281 20.056 21.867 1.00 0.00 C ATOM 1436 CE LYS A 88 -10.158 21.210 21.405 1.00 0.00 C ATOM 1437 NZ LYS A 88 -9.369 22.453 21.186 1.00 0.00 N ATOM 0 H LYS A 88 -12.833 16.788 20.096 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.004 16.263 22.367 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -10.009 17.732 20.635 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -11.403 18.791 20.716 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.875 19.303 23.091 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.478 18.248 23.007 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.590 20.407 22.634 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.677 19.700 21.032 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.664 20.934 20.480 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.933 21.398 22.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.003 23.216 20.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.906 22.731 22.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.646 22.282 20.458 1.00 0.00 H new ATOM 1451 N GLU A 89 -12.700 17.018 23.985 1.00 0.00 N ATOM 1452 CA GLU A 89 -13.687 17.439 24.972 1.00 0.00 C ATOM 1453 C GLU A 89 -13.011 18.092 26.174 1.00 0.00 C ATOM 1454 O GLU A 89 -11.897 17.725 26.547 1.00 0.00 O ATOM 1455 CB GLU A 89 -14.525 16.244 25.431 1.00 0.00 C ATOM 1456 CG GLU A 89 -15.738 16.633 26.260 1.00 0.00 C ATOM 1457 CD GLU A 89 -16.950 16.949 25.406 1.00 0.00 C ATOM 1458 OE1 GLU A 89 -16.779 17.592 24.349 1.00 0.00 O ATOM 1459 OE2 GLU A 89 -18.069 16.555 25.795 1.00 0.00 O ATOM 0 H GLU A 89 -12.007 16.357 24.336 1.00 0.00 H new ATOM 0 HA GLU A 89 -14.342 18.173 24.502 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.858 15.687 24.555 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.896 15.573 26.016 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.982 15.820 26.944 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.492 17.501 26.871 1.00 0.00 H new ATOM 1466 N SER A 90 -13.693 19.062 26.774 1.00 0.00 N ATOM 1467 CA SER A 90 -13.157 19.770 27.931 1.00 0.00 C ATOM 1468 C SER A 90 -14.025 19.532 29.163 1.00 0.00 C ATOM 1469 O SER A 90 -13.527 19.160 30.225 1.00 0.00 O ATOM 1470 CB SER A 90 -13.062 21.269 27.640 1.00 0.00 C ATOM 1471 OG SER A 90 -11.922 21.565 26.853 1.00 0.00 O ATOM 0 H SER A 90 -14.617 19.376 26.478 1.00 0.00 H new ATOM 0 HA SER A 90 -12.158 19.383 28.132 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.962 21.599 27.121 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.014 21.822 28.578 1.00 0.00 H new ATOM 0 HG SER A 90 -11.885 22.529 26.680 1.00 0.00 H new ATOM 1477 N GLY A 91 -15.328 19.752 29.013 1.00 0.00 N ATOM 1478 CA GLY A 91 -16.245 19.558 30.120 1.00 0.00 C ATOM 1479 C GLY A 91 -17.518 20.367 29.966 1.00 0.00 C ATOM 1480 O GLY A 91 -17.788 21.292 30.734 1.00 0.00 O ATOM 0 H GLY A 91 -15.764 20.061 28.144 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.497 18.500 30.198 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.751 19.837 31.051 1.00 0.00 H new ATOM 1484 N PRO A 92 -18.326 20.020 28.953 1.00 0.00 N ATOM 1485 CA PRO A 92 -19.590 20.709 28.677 1.00 0.00 C ATOM 1486 C PRO A 92 -20.645 20.433 29.742 1.00 0.00 C ATOM 1487 O PRO A 92 -21.256 19.364 29.762 1.00 0.00 O ATOM 1488 CB PRO A 92 -20.024 20.127 27.330 1.00 0.00 C ATOM 1489 CG PRO A 92 -19.374 18.788 27.268 1.00 0.00 C ATOM 1490 CD PRO A 92 -18.067 18.929 27.999 1.00 0.00 C ATOM 0 HA PRO A 92 -19.471 21.792 28.670 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -21.109 20.044 27.266 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -19.704 20.761 26.503 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -20.001 18.028 27.733 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.212 18.480 26.235 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -17.790 18.006 28.509 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.251 19.175 27.319 1.00 0.00 H new ATOM 1498 N SER A 93 -20.856 21.403 30.626 1.00 0.00 N ATOM 1499 CA SER A 93 -21.836 21.262 31.697 1.00 0.00 C ATOM 1500 C SER A 93 -23.235 21.617 31.203 1.00 0.00 C ATOM 1501 O SER A 93 -24.177 20.841 31.361 1.00 0.00 O ATOM 1502 CB SER A 93 -21.459 22.153 32.882 1.00 0.00 C ATOM 1503 OG SER A 93 -21.286 23.499 32.474 1.00 0.00 O ATOM 0 H SER A 93 -20.361 22.295 30.622 1.00 0.00 H new ATOM 0 HA SER A 93 -21.837 20.221 32.021 1.00 0.00 H new ATOM 0 HB2 SER A 93 -22.236 22.098 33.644 1.00 0.00 H new ATOM 0 HB3 SER A 93 -20.539 21.787 33.338 1.00 0.00 H new ATOM 0 HG SER A 93 -21.047 24.048 33.250 1.00 0.00 H new ATOM 1509 N SER A 94 -23.362 22.797 30.604 1.00 0.00 N ATOM 1510 CA SER A 94 -24.646 23.259 30.089 1.00 0.00 C ATOM 1511 C SER A 94 -24.759 22.990 28.592 1.00 0.00 C ATOM 1512 O SER A 94 -25.798 22.542 28.107 1.00 0.00 O ATOM 1513 CB SER A 94 -24.822 24.753 30.365 1.00 0.00 C ATOM 1514 OG SER A 94 -26.099 25.202 29.946 1.00 0.00 O ATOM 0 H SER A 94 -22.592 23.450 30.463 1.00 0.00 H new ATOM 0 HA SER A 94 -25.435 22.707 30.600 1.00 0.00 H new ATOM 0 HB2 SER A 94 -24.697 24.946 31.430 1.00 0.00 H new ATOM 0 HB3 SER A 94 -24.047 25.316 29.845 1.00 0.00 H new ATOM 0 HG SER A 94 -26.187 26.160 30.135 1.00 0.00 H new ATOM 1520 N GLY A 95 -23.682 23.267 27.863 1.00 0.00 N ATOM 1521 CA GLY A 95 -23.681 23.049 26.429 1.00 0.00 C ATOM 1522 C GLY A 95 -24.363 24.171 25.671 1.00 0.00 C ATOM 1523 O GLY A 95 -24.814 23.982 24.542 1.00 0.00 O ATOM 0 H GLY A 95 -22.810 23.639 28.241 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -22.653 22.952 26.080 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -24.183 22.107 26.207 1.00 0.00 H new TER 1527 GLY A 95