USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=12 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+ -163:sc= 0 (180deg=-0.188) USER MOD Single : A 2 SER OG : rot -31:sc= 0.445 USER MOD Single : A 5 GLN : amide:sc= -5.69! C(o=-5.7!,f=-5.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.12 K(o=-1.1,f=-5!) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -3.93 F(o=-5.7!,f=-3.9) USER MOD Single : A 32 SER OG : rot -45:sc= 0.951 USER MOD Single : A 35 SER OG : rot 2:sc= 0.948 USER MOD Single : A 37 GLN :FLIP amide:sc= -1.88! C(o=-6!,f=-1.9!) USER MOD Single : A 38 GLN :FLIP amide:sc= -3.42! C(o=-7.9!,f=-3.4!) USER MOD Single : A 50 GLN : amide:sc= -0.787! X(o=-0.79!,f=-0.31) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.134 F(o=-0.92,f=-0.13) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.039 7.356 -3.683 1.00 0.00 N ATOM 2 CA MET A 1 13.183 8.483 -4.046 1.00 0.00 C ATOM 3 C MET A 1 11.744 8.219 -3.612 1.00 0.00 C ATOM 4 O MET A 1 11.457 8.168 -2.415 1.00 0.00 O ATOM 5 CB MET A 1 13.262 8.779 -5.551 1.00 0.00 C ATOM 6 CG MET A 1 14.687 8.912 -6.064 1.00 0.00 C ATOM 7 SD MET A 1 15.672 10.060 -5.084 1.00 0.00 S ATOM 8 CE MET A 1 17.282 9.854 -5.846 1.00 0.00 C ATOM 0 H1 MET A 1 15.035 7.653 -3.714 1.00 0.00 H new ATOM 0 H2 MET A 1 13.803 7.036 -2.722 1.00 0.00 H new ATOM 0 H3 MET A 1 13.889 6.576 -4.354 1.00 0.00 H new ATOM 0 HA MET A 1 13.543 9.367 -3.520 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.759 7.981 -6.098 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.720 9.701 -5.762 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.164 7.932 -6.058 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.666 9.250 -7.100 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.005 10.501 -5.349 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.599 8.815 -5.752 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.222 10.120 -6.901 1.00 0.00 H new ATOM 18 N SER A 2 10.854 8.008 -4.571 1.00 0.00 N ATOM 19 CA SER A 2 9.462 7.714 -4.263 1.00 0.00 C ATOM 20 C SER A 2 9.244 6.205 -4.159 1.00 0.00 C ATOM 21 O SER A 2 8.341 5.639 -4.777 1.00 0.00 O ATOM 22 CB SER A 2 8.549 8.326 -5.324 1.00 0.00 C ATOM 23 OG SER A 2 8.709 9.737 -5.372 1.00 0.00 O ATOM 0 H SER A 2 11.071 8.035 -5.567 1.00 0.00 H new ATOM 0 HA SER A 2 9.213 8.157 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.777 7.896 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.510 8.080 -5.103 1.00 0.00 H new ATOM 0 HG SER A 2 8.943 10.070 -4.481 1.00 0.00 H new ATOM 29 N ALA A 3 10.102 5.567 -3.375 1.00 0.00 N ATOM 30 CA ALA A 3 10.023 4.138 -3.134 1.00 0.00 C ATOM 31 C ALA A 3 10.621 3.808 -1.780 1.00 0.00 C ATOM 32 O ALA A 3 11.516 2.975 -1.652 1.00 0.00 O ATOM 33 CB ALA A 3 10.727 3.381 -4.233 1.00 0.00 C ATOM 0 H ALA A 3 10.871 6.028 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 3 8.976 3.835 -3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.659 2.311 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.256 3.606 -5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.775 3.678 -4.266 1.00 0.00 H new ATOM 39 N VAL A 4 10.132 4.500 -0.782 1.00 0.00 N ATOM 40 CA VAL A 4 10.567 4.303 0.588 1.00 0.00 C ATOM 41 C VAL A 4 9.648 3.311 1.290 1.00 0.00 C ATOM 42 O VAL A 4 8.452 3.259 1.012 1.00 0.00 O ATOM 43 CB VAL A 4 10.602 5.652 1.348 1.00 0.00 C ATOM 44 CG1 VAL A 4 9.254 6.019 1.947 1.00 0.00 C ATOM 45 CG2 VAL A 4 11.691 5.645 2.410 1.00 0.00 C ATOM 0 H VAL A 4 9.418 5.220 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 4 11.578 3.895 0.580 1.00 0.00 H new ATOM 0 HB VAL A 4 10.838 6.424 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.335 6.973 2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.513 6.102 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.946 5.246 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.697 6.602 2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.498 4.844 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.660 5.483 1.937 1.00 0.00 H new ATOM 55 N GLN A 5 10.220 2.478 2.145 1.00 0.00 N ATOM 56 CA GLN A 5 9.450 1.533 2.897 1.00 0.00 C ATOM 57 C GLN A 5 8.409 2.213 3.757 1.00 0.00 C ATOM 58 O GLN A 5 8.726 2.982 4.666 1.00 0.00 O ATOM 59 CB GLN A 5 10.341 0.672 3.786 1.00 0.00 C ATOM 60 CG GLN A 5 9.876 -0.763 3.823 1.00 0.00 C ATOM 61 CD GLN A 5 8.435 -0.883 3.376 1.00 0.00 C ATOM 62 OE1 GLN A 5 8.148 -0.927 2.183 1.00 0.00 O ATOM 63 NE2 GLN A 5 7.514 -0.941 4.305 1.00 0.00 N ATOM 0 H GLN A 5 11.223 2.447 2.328 1.00 0.00 H new ATOM 0 HA GLN A 5 8.946 0.899 2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.367 0.712 3.420 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.347 1.078 4.797 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.511 -1.371 3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.980 -1.156 4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.779 -0.902 5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.531 -1.025 4.044 1.00 0.00 H new ATOM 72 N VAL A 6 7.165 1.917 3.447 1.00 0.00 N ATOM 73 CA VAL A 6 6.066 2.286 4.300 1.00 0.00 C ATOM 74 C VAL A 6 4.979 1.235 4.227 1.00 0.00 C ATOM 75 O VAL A 6 4.206 1.050 5.159 1.00 0.00 O ATOM 76 CB VAL A 6 5.489 3.668 3.939 1.00 0.00 C ATOM 77 CG1 VAL A 6 4.509 3.586 2.775 1.00 0.00 C ATOM 78 CG2 VAL A 6 4.834 4.288 5.166 1.00 0.00 C ATOM 0 H VAL A 6 6.892 1.417 2.601 1.00 0.00 H new ATOM 0 HA VAL A 6 6.449 2.348 5.319 1.00 0.00 H new ATOM 0 HB VAL A 6 6.310 4.307 3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.125 4.581 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.019 3.189 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.681 2.929 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.427 5.265 4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.029 3.641 5.515 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.576 4.402 5.956 1.00 0.00 H new ATOM 88 N LEU A 7 4.947 0.512 3.135 1.00 0.00 N ATOM 89 CA LEU A 7 3.866 -0.390 2.883 1.00 0.00 C ATOM 90 C LEU A 7 4.382 -1.816 2.787 1.00 0.00 C ATOM 91 O LEU A 7 5.540 -2.046 2.475 1.00 0.00 O ATOM 92 CB LEU A 7 3.180 0.042 1.589 1.00 0.00 C ATOM 93 CG LEU A 7 1.657 -0.089 1.577 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.063 0.520 0.325 1.00 0.00 C ATOM 95 CD2 LEU A 7 1.217 -1.529 1.690 1.00 0.00 C ATOM 0 H LEU A 7 5.662 0.535 2.408 1.00 0.00 H new ATOM 0 HA LEU A 7 3.146 -0.362 3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.440 1.082 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.585 -0.550 0.768 1.00 0.00 H new ATOM 0 HG LEU A 7 1.292 0.456 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.021 0.411 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.320 1.578 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.462 0.010 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.128 -1.579 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.616 -2.098 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.589 -1.951 2.624 1.00 0.00 H new ATOM 107 N LYS A 8 3.532 -2.762 3.112 1.00 0.00 N ATOM 108 CA LYS A 8 3.813 -4.152 2.899 1.00 0.00 C ATOM 109 C LYS A 8 2.499 -4.891 2.811 1.00 0.00 C ATOM 110 O LYS A 8 1.512 -4.496 3.434 1.00 0.00 O ATOM 111 CB LYS A 8 4.699 -4.749 4.001 1.00 0.00 C ATOM 112 CG LYS A 8 4.111 -4.715 5.400 1.00 0.00 C ATOM 113 CD LYS A 8 4.690 -3.577 6.218 1.00 0.00 C ATOM 114 CE LYS A 8 3.657 -2.482 6.454 1.00 0.00 C ATOM 115 NZ LYS A 8 2.694 -2.841 7.532 1.00 0.00 N ATOM 0 H LYS A 8 2.621 -2.582 3.534 1.00 0.00 H new ATOM 0 HA LYS A 8 4.374 -4.256 1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.921 -5.785 3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.648 -4.213 4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.028 -4.606 5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.308 -5.662 5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.044 -3.958 7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.555 -3.159 5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.166 -1.555 6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.111 -2.294 5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.010 -2.068 7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.188 -3.711 7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.210 -2.995 8.422 1.00 0.00 H new ATOM 129 N PHE A 9 2.484 -5.935 2.022 1.00 0.00 N ATOM 130 CA PHE A 9 1.305 -6.748 1.846 1.00 0.00 C ATOM 131 C PHE A 9 1.624 -8.154 2.315 1.00 0.00 C ATOM 132 O PHE A 9 2.108 -8.991 1.553 1.00 0.00 O ATOM 133 CB PHE A 9 0.794 -6.707 0.390 1.00 0.00 C ATOM 134 CG PHE A 9 1.822 -6.264 -0.623 1.00 0.00 C ATOM 135 CD1 PHE A 9 3.122 -6.742 -0.594 1.00 0.00 C ATOM 136 CD2 PHE A 9 1.478 -5.351 -1.605 1.00 0.00 C ATOM 137 CE1 PHE A 9 4.050 -6.319 -1.517 1.00 0.00 C ATOM 138 CE2 PHE A 9 2.404 -4.931 -2.535 1.00 0.00 C ATOM 139 CZ PHE A 9 3.692 -5.414 -2.489 1.00 0.00 C ATOM 0 H PHE A 9 3.291 -6.247 1.481 1.00 0.00 H new ATOM 0 HA PHE A 9 0.487 -6.352 2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.437 -7.700 0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.062 -6.034 0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.411 -7.456 0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.471 -4.963 -1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.061 -6.698 -1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.119 -4.223 -3.300 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.420 -5.083 -3.215 1.00 0.00 H new ATOM 149 N PRO A 10 1.399 -8.361 3.622 1.00 0.00 N ATOM 150 CA PRO A 10 1.660 -9.577 4.373 1.00 0.00 C ATOM 151 C PRO A 10 1.783 -10.842 3.550 1.00 0.00 C ATOM 152 O PRO A 10 0.795 -11.515 3.285 1.00 0.00 O ATOM 153 CB PRO A 10 0.415 -9.644 5.220 1.00 0.00 C ATOM 154 CG PRO A 10 0.039 -8.214 5.486 1.00 0.00 C ATOM 155 CD PRO A 10 0.823 -7.368 4.526 1.00 0.00 C ATOM 0 HA PRO A 10 2.619 -9.532 4.890 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.386 -10.171 4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.600 -10.181 6.150 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.032 -8.064 5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.267 -7.941 6.516 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.186 -6.659 3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.593 -6.787 5.033 1.00 0.00 H new ATOM 163 N LEU A 11 3.021 -11.213 3.281 1.00 0.00 N ATOM 164 CA LEU A 11 3.356 -12.341 2.428 1.00 0.00 C ATOM 165 C LEU A 11 2.899 -13.641 3.079 1.00 0.00 C ATOM 166 O LEU A 11 2.678 -14.655 2.422 1.00 0.00 O ATOM 167 CB LEU A 11 4.881 -12.276 2.229 1.00 0.00 C ATOM 168 CG LEU A 11 5.641 -13.526 1.795 1.00 0.00 C ATOM 169 CD1 LEU A 11 7.023 -13.113 1.331 1.00 0.00 C ATOM 170 CD2 LEU A 11 5.811 -14.466 2.959 1.00 0.00 C ATOM 0 H LEU A 11 3.838 -10.731 3.656 1.00 0.00 H new ATOM 0 HA LEU A 11 2.853 -12.303 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.080 -11.501 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.318 -11.939 3.169 1.00 0.00 H new ATOM 0 HG LEU A 11 5.083 -14.021 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.580 -13.996 1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.934 -12.423 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.550 -12.623 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.355 -15.353 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.370 -13.967 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.831 -14.759 3.336 1.00 0.00 H new ATOM 182 N SER A 12 2.721 -13.560 4.378 1.00 0.00 N ATOM 183 CA SER A 12 2.402 -14.699 5.198 1.00 0.00 C ATOM 184 C SER A 12 0.923 -14.753 5.583 1.00 0.00 C ATOM 185 O SER A 12 0.541 -15.540 6.448 1.00 0.00 O ATOM 186 CB SER A 12 3.259 -14.607 6.446 1.00 0.00 C ATOM 187 OG SER A 12 4.594 -15.012 6.186 1.00 0.00 O ATOM 0 H SER A 12 2.796 -12.686 4.899 1.00 0.00 H new ATOM 0 HA SER A 12 2.603 -15.610 4.635 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.254 -13.583 6.819 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.833 -15.234 7.229 1.00 0.00 H new ATOM 0 HG SER A 12 5.123 -14.941 7.008 1.00 0.00 H new ATOM 193 N VAL A 13 0.088 -13.924 4.961 1.00 0.00 N ATOM 194 CA VAL A 13 -1.330 -13.893 5.305 1.00 0.00 C ATOM 195 C VAL A 13 -2.164 -13.795 4.041 1.00 0.00 C ATOM 196 O VAL A 13 -1.643 -13.914 2.929 1.00 0.00 O ATOM 197 CB VAL A 13 -1.679 -12.713 6.270 1.00 0.00 C ATOM 198 CG1 VAL A 13 -0.547 -12.429 7.242 1.00 0.00 C ATOM 199 CG2 VAL A 13 -2.068 -11.445 5.517 1.00 0.00 C ATOM 0 H VAL A 13 0.364 -13.273 4.226 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.561 -14.820 5.830 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.548 -13.034 6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.827 -11.603 7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.352 -13.317 7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.352 -12.163 6.686 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.301 -10.655 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.239 -11.129 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.942 -11.644 4.897 1.00 0.00 H new ATOM 209 N ASP A 14 -3.447 -13.583 4.224 1.00 0.00 N ATOM 210 CA ASP A 14 -4.371 -13.397 3.119 1.00 0.00 C ATOM 211 C ASP A 14 -4.265 -11.964 2.601 1.00 0.00 C ATOM 212 O ASP A 14 -5.222 -11.183 2.607 1.00 0.00 O ATOM 213 CB ASP A 14 -5.787 -13.730 3.563 1.00 0.00 C ATOM 214 CG ASP A 14 -6.763 -13.804 2.400 1.00 0.00 C ATOM 215 OD1 ASP A 14 -6.434 -14.439 1.373 1.00 0.00 O ATOM 216 OD2 ASP A 14 -7.866 -13.229 2.502 1.00 0.00 O ATOM 0 H ASP A 14 -3.884 -13.534 5.144 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.113 -14.073 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.783 -14.684 4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.128 -12.975 4.271 1.00 0.00 H new ATOM 221 N LEU A 15 -3.056 -11.648 2.169 1.00 0.00 N ATOM 222 CA LEU A 15 -2.684 -10.346 1.643 1.00 0.00 C ATOM 223 C LEU A 15 -3.542 -9.904 0.476 1.00 0.00 C ATOM 224 O LEU A 15 -3.504 -8.747 0.122 1.00 0.00 O ATOM 225 CB LEU A 15 -1.229 -10.400 1.209 1.00 0.00 C ATOM 226 CG LEU A 15 -0.791 -11.745 0.629 1.00 0.00 C ATOM 227 CD1 LEU A 15 -1.439 -12.014 -0.713 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.692 -11.783 0.482 1.00 0.00 C ATOM 0 H LEU A 15 -2.282 -12.312 2.175 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.838 -9.615 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.056 -9.623 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.598 -10.165 2.066 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.113 -12.521 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.103 -12.979 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.523 -12.027 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.158 -11.230 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.992 -12.746 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.012 -10.985 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.158 -11.647 1.458 1.00 0.00 H new ATOM 240 N ALA A 16 -4.309 -10.812 -0.116 1.00 0.00 N ATOM 241 CA ALA A 16 -5.157 -10.473 -1.261 1.00 0.00 C ATOM 242 C ALA A 16 -6.033 -9.265 -0.958 1.00 0.00 C ATOM 243 O ALA A 16 -6.459 -8.548 -1.864 1.00 0.00 O ATOM 244 CB ALA A 16 -6.015 -11.665 -1.643 1.00 0.00 C ATOM 0 H ALA A 16 -4.364 -11.788 0.175 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.511 -10.216 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.642 -11.404 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.373 -12.505 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.647 -11.944 -0.800 1.00 0.00 H new ATOM 250 N GLY A 17 -6.270 -9.031 0.323 1.00 0.00 N ATOM 251 CA GLY A 17 -7.005 -7.863 0.734 1.00 0.00 C ATOM 252 C GLY A 17 -6.194 -6.593 0.568 1.00 0.00 C ATOM 253 O GLY A 17 -6.716 -5.581 0.115 1.00 0.00 O ATOM 0 H GLY A 17 -5.963 -9.635 1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.921 -7.787 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.301 -7.970 1.777 1.00 0.00 H new ATOM 257 N PHE A 18 -4.907 -6.636 0.921 1.00 0.00 N ATOM 258 CA PHE A 18 -4.076 -5.438 0.862 1.00 0.00 C ATOM 259 C PHE A 18 -3.270 -5.362 -0.428 1.00 0.00 C ATOM 260 O PHE A 18 -3.227 -4.326 -1.081 1.00 0.00 O ATOM 261 CB PHE A 18 -3.123 -5.348 2.043 1.00 0.00 C ATOM 262 CG PHE A 18 -2.696 -3.933 2.319 1.00 0.00 C ATOM 263 CD1 PHE A 18 -3.098 -2.904 1.477 1.00 0.00 C ATOM 264 CD2 PHE A 18 -1.915 -3.625 3.419 1.00 0.00 C ATOM 265 CE1 PHE A 18 -2.727 -1.606 1.724 1.00 0.00 C ATOM 266 CE2 PHE A 18 -1.537 -2.318 3.668 1.00 0.00 C ATOM 267 CZ PHE A 18 -1.945 -1.309 2.814 1.00 0.00 C ATOM 0 H PHE A 18 -4.426 -7.475 1.246 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.769 -4.597 0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.605 -5.760 2.929 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.243 -5.960 1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.711 -3.128 0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.598 -4.411 4.088 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.050 -0.817 1.061 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.925 -2.086 4.527 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.649 -0.288 3.004 1.00 0.00 H new ATOM 277 N VAL A 19 -2.614 -6.450 -0.796 1.00 0.00 N ATOM 278 CA VAL A 19 -1.835 -6.459 -2.016 1.00 0.00 C ATOM 279 C VAL A 19 -2.780 -6.247 -3.161 1.00 0.00 C ATOM 280 O VAL A 19 -2.466 -5.587 -4.140 1.00 0.00 O ATOM 281 CB VAL A 19 -1.065 -7.793 -2.221 1.00 0.00 C ATOM 282 CG1 VAL A 19 -1.998 -8.951 -2.559 1.00 0.00 C ATOM 283 CG2 VAL A 19 0.002 -7.654 -3.297 1.00 0.00 C ATOM 0 H VAL A 19 -2.606 -7.326 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.087 -5.668 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.581 -8.020 -1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.414 -9.862 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.711 -9.093 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.537 -8.727 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.523 -8.604 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.467 -7.375 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.715 -6.883 -3.005 1.00 0.00 H new ATOM 293 N GLY A 20 -3.960 -6.799 -2.983 1.00 0.00 N ATOM 294 CA GLY A 20 -5.035 -6.563 -3.902 1.00 0.00 C ATOM 295 C GLY A 20 -5.460 -5.133 -3.819 1.00 0.00 C ATOM 296 O GLY A 20 -5.682 -4.502 -4.832 1.00 0.00 O ATOM 0 H GLY A 20 -4.193 -7.416 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.718 -6.800 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.876 -7.217 -3.670 1.00 0.00 H new ATOM 300 N LEU A 21 -5.449 -4.596 -2.607 1.00 0.00 N ATOM 301 CA LEU A 21 -5.999 -3.269 -2.344 1.00 0.00 C ATOM 302 C LEU A 21 -5.338 -2.206 -3.210 1.00 0.00 C ATOM 303 O LEU A 21 -6.021 -1.430 -3.867 1.00 0.00 O ATOM 304 CB LEU A 21 -5.850 -2.920 -0.862 1.00 0.00 C ATOM 305 CG LEU A 21 -6.489 -1.602 -0.416 1.00 0.00 C ATOM 306 CD1 LEU A 21 -6.878 -1.676 1.048 1.00 0.00 C ATOM 307 CD2 LEU A 21 -5.533 -0.441 -0.637 1.00 0.00 C ATOM 0 H LEU A 21 -5.063 -5.060 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.058 -3.290 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.283 -3.729 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.787 -2.885 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.384 -1.437 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.331 -0.732 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.593 -2.486 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.990 -1.863 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.006 0.486 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.623 -0.604 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.284 -0.371 -1.696 1.00 0.00 H new ATOM 319 N LEU A 22 -4.015 -2.168 -3.238 1.00 0.00 N ATOM 320 CA LEU A 22 -3.348 -1.127 -3.995 1.00 0.00 C ATOM 321 C LEU A 22 -3.121 -1.558 -5.424 1.00 0.00 C ATOM 322 O LEU A 22 -2.928 -0.739 -6.325 1.00 0.00 O ATOM 323 CB LEU A 22 -2.049 -0.639 -3.372 1.00 0.00 C ATOM 324 CG LEU A 22 -1.063 -1.638 -2.743 1.00 0.00 C ATOM 325 CD1 LEU A 22 -1.367 -1.863 -1.273 1.00 0.00 C ATOM 326 CD2 LEU A 22 -1.016 -2.958 -3.469 1.00 0.00 C ATOM 0 H LEU A 22 -3.399 -2.826 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.027 -0.275 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.506 -0.094 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.314 0.082 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.077 -1.182 -2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.652 -2.574 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.291 -0.917 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.377 -2.260 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.302 -3.619 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.005 -3.417 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.707 -2.795 -4.501 1.00 0.00 H new ATOM 338 N ARG A 23 -3.097 -2.853 -5.610 1.00 0.00 N ATOM 339 CA ARG A 23 -3.079 -3.429 -6.939 1.00 0.00 C ATOM 340 C ARG A 23 -4.331 -2.980 -7.668 1.00 0.00 C ATOM 341 O ARG A 23 -4.332 -2.760 -8.875 1.00 0.00 O ATOM 342 CB ARG A 23 -3.039 -4.936 -6.797 1.00 0.00 C ATOM 343 CG ARG A 23 -2.645 -5.699 -8.056 1.00 0.00 C ATOM 344 CD ARG A 23 -3.860 -6.271 -8.769 1.00 0.00 C ATOM 345 NE ARG A 23 -4.541 -5.285 -9.607 1.00 0.00 N ATOM 346 CZ ARG A 23 -5.261 -5.583 -10.685 1.00 0.00 C ATOM 347 NH1 ARG A 23 -5.375 -6.839 -11.094 1.00 0.00 N ATOM 348 NH2 ARG A 23 -5.871 -4.619 -11.361 1.00 0.00 N ATOM 0 H ARG A 23 -3.089 -3.537 -4.854 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.208 -3.105 -7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.337 -5.191 -6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.022 -5.280 -6.476 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.106 -5.034 -8.731 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.963 -6.508 -7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.550 -7.114 -9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.561 -6.659 -8.029 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.458 -4.302 -9.347 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.908 -7.587 -10.581 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.929 -7.057 -11.922 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.788 -3.650 -11.054 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.423 -4.847 -12.188 1.00 0.00 H new ATOM 362 N ARG A 24 -5.376 -2.802 -6.884 1.00 0.00 N ATOM 363 CA ARG A 24 -6.663 -2.346 -7.369 1.00 0.00 C ATOM 364 C ARG A 24 -6.573 -0.885 -7.741 1.00 0.00 C ATOM 365 O ARG A 24 -7.289 -0.397 -8.620 1.00 0.00 O ATOM 366 CB ARG A 24 -7.697 -2.495 -6.267 1.00 0.00 C ATOM 367 CG ARG A 24 -8.112 -3.925 -5.961 1.00 0.00 C ATOM 368 CD ARG A 24 -8.719 -4.613 -7.163 1.00 0.00 C ATOM 369 NE ARG A 24 -9.304 -5.899 -6.792 1.00 0.00 N ATOM 370 CZ ARG A 24 -10.113 -6.607 -7.571 1.00 0.00 C ATOM 371 NH1 ARG A 24 -10.400 -6.187 -8.798 1.00 0.00 N ATOM 372 NH2 ARG A 24 -10.631 -7.741 -7.122 1.00 0.00 N ATOM 0 H ARG A 24 -5.354 -2.972 -5.879 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.948 -2.938 -8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.302 -2.045 -5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.585 -1.927 -6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.243 -4.489 -5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.832 -3.925 -5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.485 -3.975 -7.603 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.954 -4.764 -7.925 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.076 -6.278 -5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.998 -5.316 -9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.022 -6.735 -9.392 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.408 -8.067 -6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.253 -8.288 -7.717 1.00 0.00 H new ATOM 386 N LEU A 25 -5.657 -0.205 -7.080 1.00 0.00 N ATOM 387 CA LEU A 25 -5.565 1.230 -7.164 1.00 0.00 C ATOM 388 C LEU A 25 -4.933 1.658 -8.484 1.00 0.00 C ATOM 389 O LEU A 25 -5.417 2.588 -9.137 1.00 0.00 O ATOM 390 CB LEU A 25 -4.759 1.725 -5.973 1.00 0.00 C ATOM 391 CG LEU A 25 -4.467 3.207 -5.948 1.00 0.00 C ATOM 392 CD1 LEU A 25 -5.680 3.975 -5.443 1.00 0.00 C ATOM 393 CD2 LEU A 25 -3.253 3.449 -5.082 1.00 0.00 C ATOM 0 H LEU A 25 -4.960 -0.635 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.561 1.671 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.296 1.464 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.812 1.187 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.255 3.565 -6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.456 5.042 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.528 3.790 -6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.926 3.644 -4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.032 4.516 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.451 3.095 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.399 2.911 -5.494 1.00 0.00 H new ATOM 405 N ASN A 26 -3.880 0.937 -8.876 1.00 0.00 N ATOM 406 CA ASN A 26 -3.140 1.187 -10.115 1.00 0.00 C ATOM 407 C ASN A 26 -1.779 0.484 -10.105 1.00 0.00 C ATOM 408 O ASN A 26 -1.011 0.620 -11.056 1.00 0.00 O ATOM 409 CB ASN A 26 -2.935 2.687 -10.389 1.00 0.00 C ATOM 410 CG ASN A 26 -2.046 3.382 -9.370 1.00 0.00 C ATOM 411 OD1 ASN A 26 -1.978 2.989 -8.204 1.00 0.00 O ATOM 412 ND2 ASN A 26 -1.365 4.431 -9.803 1.00 0.00 N ATOM 0 H ASN A 26 -3.513 0.154 -8.335 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.754 0.776 -10.917 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.499 2.809 -11.381 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.907 3.180 -10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.758 4.944 -9.164 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.447 4.726 -10.776 1.00 0.00 H new ATOM 419 N VAL A 27 -1.516 -0.285 -9.034 1.00 0.00 N ATOM 420 CA VAL A 27 -0.285 -1.083 -8.861 1.00 0.00 C ATOM 421 C VAL A 27 0.964 -0.441 -9.511 1.00 0.00 C ATOM 422 O VAL A 27 1.549 -0.956 -10.464 1.00 0.00 O ATOM 423 CB VAL A 27 -0.507 -2.550 -9.344 1.00 0.00 C ATOM 424 CG1 VAL A 27 -0.856 -2.621 -10.826 1.00 0.00 C ATOM 425 CG2 VAL A 27 0.692 -3.430 -9.027 1.00 0.00 C ATOM 0 H VAL A 27 -2.163 -0.372 -8.250 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.072 -1.102 -7.792 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.363 -2.934 -8.790 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.001 -3.662 -11.116 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.773 -2.061 -11.011 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.044 -2.191 -11.412 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.502 -4.444 -9.378 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.576 -3.034 -9.526 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.859 -3.444 -7.950 1.00 0.00 H new ATOM 435 N PRO A 28 1.371 0.720 -8.977 1.00 0.00 N ATOM 436 CA PRO A 28 2.516 1.501 -9.462 1.00 0.00 C ATOM 437 C PRO A 28 3.738 1.449 -8.539 1.00 0.00 C ATOM 438 O PRO A 28 4.497 2.414 -8.457 1.00 0.00 O ATOM 439 CB PRO A 28 1.917 2.887 -9.365 1.00 0.00 C ATOM 440 CG PRO A 28 1.232 2.845 -8.035 1.00 0.00 C ATOM 441 CD PRO A 28 0.684 1.444 -7.895 1.00 0.00 C ATOM 0 HA PRO A 28 2.883 1.161 -10.430 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.681 3.664 -9.405 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.217 3.086 -10.177 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.929 3.074 -7.229 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.432 3.584 -7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.907 1.018 -6.917 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.399 1.419 -8.014 1.00 0.00 H new ATOM 449 N HIS A 29 3.943 0.341 -7.854 1.00 0.00 N ATOM 450 CA HIS A 29 4.830 0.345 -6.693 1.00 0.00 C ATOM 451 C HIS A 29 6.004 -0.608 -6.805 1.00 0.00 C ATOM 452 O HIS A 29 6.122 -1.378 -7.753 1.00 0.00 O ATOM 453 CB HIS A 29 4.035 0.016 -5.432 1.00 0.00 C ATOM 454 CG HIS A 29 3.204 -1.228 -5.564 1.00 0.00 C ATOM 455 ND1 HIS A 29 3.568 -2.529 -5.647 1.00 0.00 N flip ATOM 456 CD2 HIS A 29 1.830 -1.214 -5.650 1.00 0.00 C flip ATOM 457 CE1 HIS A 29 2.421 -3.271 -5.786 1.00 0.00 C flip ATOM 458 NE2 HIS A 29 1.388 -2.452 -5.785 1.00 0.00 N flip ATOM 0 H HIS A 29 3.519 -0.561 -8.070 1.00 0.00 H new ATOM 0 HA HIS A 29 5.250 1.350 -6.643 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.725 -0.103 -4.596 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.384 0.856 -5.191 1.00 0.00 H new ATOM 0 HD1 HIS A 29 4.521 -2.892 -5.613 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.211 -0.330 -5.613 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.373 -4.346 -5.880 1.00 0.00 H new ATOM 467 N ARG A 30 6.878 -0.524 -5.807 1.00 0.00 N ATOM 468 CA ARG A 30 7.968 -1.463 -5.651 1.00 0.00 C ATOM 469 C ARG A 30 7.549 -2.573 -4.703 1.00 0.00 C ATOM 470 O ARG A 30 6.978 -2.309 -3.649 1.00 0.00 O ATOM 471 CB ARG A 30 9.195 -0.742 -5.101 1.00 0.00 C ATOM 472 CG ARG A 30 10.379 -1.656 -4.858 1.00 0.00 C ATOM 473 CD ARG A 30 11.430 -0.966 -4.009 1.00 0.00 C ATOM 474 NE ARG A 30 12.745 -1.607 -4.092 1.00 0.00 N ATOM 475 CZ ARG A 30 13.314 -2.290 -3.097 1.00 0.00 C ATOM 476 NH1 ARG A 30 12.638 -2.551 -1.985 1.00 0.00 N ATOM 477 NH2 ARG A 30 14.564 -2.718 -3.219 1.00 0.00 N ATOM 0 H ARG A 30 6.845 0.198 -5.088 1.00 0.00 H new ATOM 0 HA ARG A 30 8.217 -1.895 -6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.489 0.041 -5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.928 -0.251 -4.165 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.045 -2.567 -4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.815 -1.955 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.518 0.074 -4.324 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.101 -0.957 -2.970 1.00 0.00 H new ATOM 0 HE ARG A 30 13.260 -1.526 -4.969 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.675 -2.229 -1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.081 -3.074 -1.230 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.088 -2.525 -4.072 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.001 -3.240 -2.459 1.00 0.00 H new ATOM 491 N VAL A 31 7.815 -3.800 -5.100 1.00 0.00 N ATOM 492 CA VAL A 31 7.537 -4.960 -4.280 1.00 0.00 C ATOM 493 C VAL A 31 8.829 -5.664 -3.929 1.00 0.00 C ATOM 494 O VAL A 31 9.699 -5.862 -4.774 1.00 0.00 O ATOM 495 CB VAL A 31 6.606 -5.970 -4.978 1.00 0.00 C ATOM 496 CG1 VAL A 31 6.383 -7.190 -4.090 1.00 0.00 C ATOM 497 CG2 VAL A 31 5.285 -5.320 -5.338 1.00 0.00 C ATOM 0 H VAL A 31 8.232 -4.021 -6.004 1.00 0.00 H new ATOM 0 HA VAL A 31 7.034 -4.596 -3.384 1.00 0.00 H new ATOM 0 HB VAL A 31 7.084 -6.299 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.723 -7.894 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.339 -7.671 -3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.927 -6.878 -3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.642 -6.050 -5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.798 -4.960 -4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.464 -4.482 -6.012 1.00 0.00 H new ATOM 507 N SER A 32 8.949 -6.009 -2.677 1.00 0.00 N ATOM 508 CA SER A 32 10.092 -6.745 -2.186 1.00 0.00 C ATOM 509 C SER A 32 9.634 -7.802 -1.186 1.00 0.00 C ATOM 510 O SER A 32 8.439 -8.020 -1.017 1.00 0.00 O ATOM 511 CB SER A 32 11.059 -5.761 -1.530 1.00 0.00 C ATOM 512 OG SER A 32 10.413 -5.023 -0.508 1.00 0.00 O ATOM 0 H SER A 32 8.256 -5.789 -1.961 1.00 0.00 H new ATOM 0 HA SER A 32 10.597 -7.253 -3.008 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.908 -6.303 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.455 -5.079 -2.282 1.00 0.00 H new ATOM 0 HG SER A 32 9.536 -4.722 -0.826 1.00 0.00 H new ATOM 518 N GLU A 33 10.580 -8.472 -0.562 1.00 0.00 N ATOM 519 CA GLU A 33 10.297 -9.350 0.563 1.00 0.00 C ATOM 520 C GLU A 33 11.132 -8.905 1.744 1.00 0.00 C ATOM 521 O GLU A 33 12.315 -9.236 1.855 1.00 0.00 O ATOM 522 CB GLU A 33 10.599 -10.801 0.205 1.00 0.00 C ATOM 523 CG GLU A 33 11.873 -10.949 -0.595 1.00 0.00 C ATOM 524 CD GLU A 33 12.250 -12.392 -0.849 1.00 0.00 C ATOM 525 OE1 GLU A 33 12.977 -12.974 -0.019 1.00 0.00 O ATOM 526 OE2 GLU A 33 11.833 -12.948 -1.881 1.00 0.00 O ATOM 0 H GLU A 33 11.567 -8.426 -0.817 1.00 0.00 H new ATOM 0 HA GLU A 33 9.239 -9.289 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.679 -11.388 1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.766 -11.212 -0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.757 -10.437 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.687 -10.455 -0.065 1.00 0.00 H new ATOM 533 N GLU A 34 10.518 -8.137 2.612 1.00 0.00 N ATOM 534 CA GLU A 34 11.209 -7.531 3.708 1.00 0.00 C ATOM 535 C GLU A 34 10.580 -7.958 5.035 1.00 0.00 C ATOM 536 O GLU A 34 9.369 -7.840 5.229 1.00 0.00 O ATOM 537 CB GLU A 34 11.147 -6.031 3.468 1.00 0.00 C ATOM 538 CG GLU A 34 11.339 -5.165 4.672 1.00 0.00 C ATOM 539 CD GLU A 34 12.762 -5.181 5.185 1.00 0.00 C ATOM 540 OE1 GLU A 34 13.660 -4.669 4.485 1.00 0.00 O ATOM 541 OE2 GLU A 34 12.990 -5.720 6.285 1.00 0.00 O ATOM 0 H GLU A 34 9.522 -7.919 2.572 1.00 0.00 H new ATOM 0 HA GLU A 34 12.250 -7.847 3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.907 -5.769 2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.180 -5.794 3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.058 -4.141 4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.668 -5.498 5.464 1.00 0.00 H new ATOM 548 N SER A 35 11.418 -8.510 5.908 1.00 0.00 N ATOM 549 CA SER A 35 11.023 -9.000 7.236 1.00 0.00 C ATOM 550 C SER A 35 9.927 -10.080 7.172 1.00 0.00 C ATOM 551 O SER A 35 9.225 -10.318 8.157 1.00 0.00 O ATOM 552 CB SER A 35 10.604 -7.845 8.162 1.00 0.00 C ATOM 553 OG SER A 35 9.427 -7.192 7.713 1.00 0.00 O ATOM 0 H SER A 35 12.412 -8.634 5.713 1.00 0.00 H new ATOM 0 HA SER A 35 11.908 -9.474 7.661 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.441 -8.231 9.168 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.416 -7.121 8.226 1.00 0.00 H new ATOM 0 HG SER A 35 9.093 -7.637 6.906 1.00 0.00 H new ATOM 559 N GLY A 36 9.782 -10.726 6.017 1.00 0.00 N ATOM 560 CA GLY A 36 8.901 -11.873 5.904 1.00 0.00 C ATOM 561 C GLY A 36 7.534 -11.517 5.388 1.00 0.00 C ATOM 562 O GLY A 36 6.639 -12.357 5.334 1.00 0.00 O ATOM 0 H GLY A 36 10.263 -10.472 5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.354 -12.608 5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.802 -12.346 6.881 1.00 0.00 H new ATOM 566 N GLN A 37 7.357 -10.266 5.028 1.00 0.00 N ATOM 567 CA GLN A 37 6.200 -9.875 4.285 1.00 0.00 C ATOM 568 C GLN A 37 6.667 -9.242 3.013 1.00 0.00 C ATOM 569 O GLN A 37 7.789 -8.748 2.931 1.00 0.00 O ATOM 570 CB GLN A 37 5.265 -8.922 5.050 1.00 0.00 C ATOM 571 CG GLN A 37 5.710 -8.522 6.445 1.00 0.00 C ATOM 572 CD GLN A 37 4.637 -7.731 7.161 1.00 0.00 C ATOM 573 OE1 GLN A 37 3.389 -8.004 6.813 1.00 0.00 O flip ATOM 574 NE2 GLN A 37 4.922 -6.882 8.007 1.00 0.00 N flip ATOM 0 H GLN A 37 8.005 -9.508 5.242 1.00 0.00 H new ATOM 0 HA GLN A 37 5.604 -10.767 4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.140 -8.016 4.457 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.284 -9.391 5.125 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.952 -9.415 7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.621 -7.927 6.381 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.898 -6.705 8.243 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.182 -6.356 8.471 1.00 0.00 H new ATOM 583 N GLN A 38 5.843 -9.310 2.008 1.00 0.00 N ATOM 584 CA GLN A 38 6.131 -8.639 0.783 1.00 0.00 C ATOM 585 C GLN A 38 5.982 -7.170 1.029 1.00 0.00 C ATOM 586 O GLN A 38 5.020 -6.739 1.643 1.00 0.00 O ATOM 587 CB GLN A 38 5.173 -9.104 -0.284 1.00 0.00 C ATOM 588 CG GLN A 38 5.241 -10.586 -0.586 1.00 0.00 C ATOM 589 CD GLN A 38 3.944 -11.050 -1.201 1.00 0.00 C ATOM 590 OE1 GLN A 38 2.845 -10.470 -0.733 1.00 0.00 O flip ATOM 591 NE2 GLN A 38 3.918 -11.937 -2.053 1.00 0.00 N flip ATOM 0 H GLN A 38 4.964 -9.827 2.017 1.00 0.00 H new ATOM 0 HA GLN A 38 7.143 -8.858 0.442 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.157 -8.855 0.024 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.373 -8.550 -1.201 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.068 -10.789 -1.266 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.438 -11.143 0.330 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.789 -12.353 -2.382 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.026 -12.256 -2.430 1.00 0.00 H new ATOM 600 N VAL A 39 6.948 -6.414 0.597 1.00 0.00 N ATOM 601 CA VAL A 39 7.076 -5.070 1.059 1.00 0.00 C ATOM 602 C VAL A 39 7.092 -4.068 -0.076 1.00 0.00 C ATOM 603 O VAL A 39 7.852 -4.184 -1.030 1.00 0.00 O ATOM 604 CB VAL A 39 8.301 -5.060 1.968 1.00 0.00 C ATOM 605 CG1 VAL A 39 8.781 -3.705 2.344 1.00 0.00 C ATOM 606 CG2 VAL A 39 7.899 -5.826 3.188 1.00 0.00 C ATOM 0 H VAL A 39 7.657 -6.708 -0.075 1.00 0.00 H new ATOM 0 HA VAL A 39 6.208 -4.742 1.631 1.00 0.00 H new ATOM 0 HB VAL A 39 9.143 -5.502 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.654 -3.795 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.051 -3.152 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.991 -3.173 2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.734 -5.860 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.048 -5.336 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.622 -6.841 2.905 1.00 0.00 H new ATOM 616 N LEU A 40 6.216 -3.095 0.062 1.00 0.00 N ATOM 617 CA LEU A 40 5.827 -2.203 -1.006 1.00 0.00 C ATOM 618 C LEU A 40 6.303 -0.790 -0.705 1.00 0.00 C ATOM 619 O LEU A 40 6.025 -0.224 0.352 1.00 0.00 O ATOM 620 CB LEU A 40 4.306 -2.290 -1.147 1.00 0.00 C ATOM 621 CG LEU A 40 3.627 -1.405 -2.204 1.00 0.00 C ATOM 622 CD1 LEU A 40 2.154 -1.733 -2.276 1.00 0.00 C ATOM 623 CD2 LEU A 40 3.789 0.070 -1.910 1.00 0.00 C ATOM 0 H LEU A 40 5.743 -2.899 0.944 1.00 0.00 H new ATOM 0 HA LEU A 40 6.288 -2.488 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.050 -3.327 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.867 -2.050 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 40 4.114 -1.613 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.677 -1.103 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.027 -2.781 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.693 -1.552 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.292 0.652 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.343 0.299 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.849 0.323 -1.890 1.00 0.00 H new ATOM 635 N TRP A 41 7.011 -0.224 -1.658 1.00 0.00 N ATOM 636 CA TRP A 41 7.648 1.062 -1.471 1.00 0.00 C ATOM 637 C TRP A 41 7.183 2.036 -2.560 1.00 0.00 C ATOM 638 O TRP A 41 7.644 1.927 -3.700 1.00 0.00 O ATOM 639 CB TRP A 41 9.184 0.892 -1.567 1.00 0.00 C ATOM 640 CG TRP A 41 9.750 -0.252 -0.762 1.00 0.00 C ATOM 641 CD1 TRP A 41 9.227 -1.498 -0.672 1.00 0.00 C ATOM 642 CD2 TRP A 41 10.949 -0.282 0.028 1.00 0.00 C ATOM 643 NE1 TRP A 41 9.983 -2.289 0.119 1.00 0.00 N ATOM 644 CE2 TRP A 41 11.045 -1.577 0.570 1.00 0.00 C ATOM 645 CE3 TRP A 41 11.943 0.643 0.344 1.00 0.00 C ATOM 646 CZ2 TRP A 41 12.073 -1.973 1.404 1.00 0.00 C ATOM 647 CZ3 TRP A 41 12.977 0.250 1.175 1.00 0.00 C ATOM 648 CH2 TRP A 41 13.035 -1.050 1.699 1.00 0.00 C ATOM 0 H TRP A 41 7.161 -0.638 -2.578 1.00 0.00 H new ATOM 0 HA TRP A 41 7.378 1.457 -0.491 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.454 0.749 -2.613 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.658 1.817 -1.239 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.323 -1.817 -1.168 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.787 -3.265 0.341 1.00 0.00 H new ATOM 0 HE3 TRP A 41 11.907 1.647 -0.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.114 -2.974 1.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 13.754 0.957 1.425 1.00 0.00 H new ATOM 0 HH2 TRP A 41 13.854 -1.325 2.347 1.00 0.00 H new ATOM 659 N VAL A 42 6.229 2.934 -2.260 1.00 0.00 N ATOM 660 CA VAL A 42 5.952 4.038 -3.203 1.00 0.00 C ATOM 661 C VAL A 42 5.683 5.441 -2.624 1.00 0.00 C ATOM 662 O VAL A 42 5.100 6.265 -3.335 1.00 0.00 O ATOM 663 CB VAL A 42 4.793 3.763 -4.170 1.00 0.00 C ATOM 664 CG1 VAL A 42 5.298 3.064 -5.406 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.677 2.990 -3.496 1.00 0.00 C ATOM 0 H VAL A 42 5.659 2.925 -1.414 1.00 0.00 H new ATOM 0 HA VAL A 42 6.920 4.059 -3.703 1.00 0.00 H new ATOM 0 HB VAL A 42 4.367 4.718 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.465 2.875 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.035 3.693 -5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.759 2.117 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.873 2.813 -4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.061 2.035 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.293 3.565 -2.654 1.00 0.00 H new ATOM 675 N PRO A 43 6.048 5.796 -1.387 1.00 0.00 N ATOM 676 CA PRO A 43 5.920 7.149 -0.934 1.00 0.00 C ATOM 677 C PRO A 43 7.264 7.845 -0.851 1.00 0.00 C ATOM 678 O PRO A 43 8.235 7.421 -1.476 1.00 0.00 O ATOM 679 CB PRO A 43 5.375 6.892 0.436 1.00 0.00 C ATOM 680 CG PRO A 43 6.247 5.812 0.929 1.00 0.00 C ATOM 681 CD PRO A 43 6.547 4.980 -0.281 1.00 0.00 C ATOM 0 HA PRO A 43 5.320 7.794 -1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.431 7.779 1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.329 6.587 0.406 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.160 6.211 1.371 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.750 5.224 1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.615 4.782 -0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.046 4.013 -0.238 1.00 0.00 H new ATOM 689 N ASP A 44 7.325 8.887 -0.052 1.00 0.00 N ATOM 690 CA ASP A 44 8.587 9.605 0.127 1.00 0.00 C ATOM 691 C ASP A 44 8.966 9.694 1.599 1.00 0.00 C ATOM 692 O ASP A 44 9.913 9.045 2.037 1.00 0.00 O ATOM 693 CB ASP A 44 8.524 10.995 -0.510 1.00 0.00 C ATOM 694 CG ASP A 44 8.398 10.932 -2.024 1.00 0.00 C ATOM 695 OD1 ASP A 44 7.258 10.858 -2.530 1.00 0.00 O ATOM 696 OD2 ASP A 44 9.437 10.955 -2.718 1.00 0.00 O ATOM 0 H ASP A 44 6.537 9.258 0.479 1.00 0.00 H new ATOM 0 HA ASP A 44 9.366 9.039 -0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.675 11.542 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.421 11.554 -0.245 1.00 0.00 H new ATOM 701 N GLU A 45 8.242 10.498 2.359 1.00 0.00 N ATOM 702 CA GLU A 45 8.434 10.547 3.804 1.00 0.00 C ATOM 703 C GLU A 45 7.139 10.920 4.508 1.00 0.00 C ATOM 704 O GLU A 45 6.569 10.114 5.237 1.00 0.00 O ATOM 705 CB GLU A 45 9.537 11.537 4.190 1.00 0.00 C ATOM 706 CG GLU A 45 9.765 11.606 5.692 1.00 0.00 C ATOM 707 CD GLU A 45 10.891 12.537 6.083 1.00 0.00 C ATOM 708 OE1 GLU A 45 10.648 13.753 6.204 1.00 0.00 O ATOM 709 OE2 GLU A 45 12.021 12.053 6.303 1.00 0.00 O ATOM 0 H GLU A 45 7.519 11.124 2.005 1.00 0.00 H new ATOM 0 HA GLU A 45 8.740 9.551 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.466 11.249 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.275 12.528 3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.846 11.934 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.983 10.606 6.066 1.00 0.00 H new ATOM 716 N ARG A 46 6.664 12.133 4.270 1.00 0.00 N ATOM 717 CA ARG A 46 5.440 12.599 4.908 1.00 0.00 C ATOM 718 C ARG A 46 4.248 11.862 4.319 1.00 0.00 C ATOM 719 O ARG A 46 3.326 11.466 5.026 1.00 0.00 O ATOM 720 CB ARG A 46 5.288 14.116 4.752 1.00 0.00 C ATOM 721 CG ARG A 46 4.941 14.573 3.351 1.00 0.00 C ATOM 722 CD ARG A 46 3.620 15.309 3.351 1.00 0.00 C ATOM 723 NE ARG A 46 3.740 16.639 3.943 1.00 0.00 N ATOM 724 CZ ARG A 46 2.791 17.575 3.894 1.00 0.00 C ATOM 725 NH1 ARG A 46 1.626 17.329 3.305 1.00 0.00 N ATOM 726 NH2 ARG A 46 3.016 18.762 4.432 1.00 0.00 N ATOM 0 H ARG A 46 7.103 12.809 3.645 1.00 0.00 H new ATOM 0 HA ARG A 46 5.490 12.386 5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.513 14.463 5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.219 14.595 5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.727 15.223 2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.886 13.713 2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.254 15.398 2.328 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.881 14.730 3.905 1.00 0.00 H new ATOM 0 HE ARG A 46 4.608 16.867 4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.450 16.417 2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.908 18.052 3.274 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.911 18.957 4.881 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.295 19.482 4.398 1.00 0.00 H new ATOM 740 N LEU A 47 4.297 11.655 3.015 1.00 0.00 N ATOM 741 CA LEU A 47 3.238 10.965 2.314 1.00 0.00 C ATOM 742 C LEU A 47 3.361 9.456 2.415 1.00 0.00 C ATOM 743 O LEU A 47 2.473 8.766 1.979 1.00 0.00 O ATOM 744 CB LEU A 47 3.064 11.409 0.853 1.00 0.00 C ATOM 745 CG LEU A 47 4.202 11.221 -0.135 1.00 0.00 C ATOM 746 CD1 LEU A 47 5.544 11.621 0.435 1.00 0.00 C ATOM 747 CD2 LEU A 47 4.188 9.794 -0.625 1.00 0.00 C ATOM 0 H LEU A 47 5.067 11.959 2.419 1.00 0.00 H new ATOM 0 HA LEU A 47 2.327 11.262 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.197 10.882 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.815 12.470 0.863 1.00 0.00 H new ATOM 0 HG LEU A 47 4.047 11.891 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.319 11.465 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.520 12.673 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.762 11.013 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.001 9.645 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.317 9.118 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.236 9.586 -1.114 1.00 0.00 H new ATOM 759 N ALA A 48 4.478 8.939 2.918 1.00 0.00 N ATOM 760 CA ALA A 48 4.561 7.526 3.272 1.00 0.00 C ATOM 761 C ALA A 48 3.294 7.090 3.987 1.00 0.00 C ATOM 762 O ALA A 48 2.691 6.059 3.671 1.00 0.00 O ATOM 763 CB ALA A 48 5.774 7.300 4.152 1.00 0.00 C ATOM 0 H ALA A 48 5.331 9.472 3.088 1.00 0.00 H new ATOM 0 HA ALA A 48 4.663 6.929 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.839 6.245 4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.675 7.594 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.682 7.898 5.059 1.00 0.00 H new ATOM 769 N GLU A 49 2.862 7.944 4.892 1.00 0.00 N ATOM 770 CA GLU A 49 1.657 7.709 5.660 1.00 0.00 C ATOM 771 C GLU A 49 0.454 7.792 4.741 1.00 0.00 C ATOM 772 O GLU A 49 -0.391 6.910 4.718 1.00 0.00 O ATOM 773 CB GLU A 49 1.535 8.749 6.770 1.00 0.00 C ATOM 774 CG GLU A 49 2.778 8.851 7.632 1.00 0.00 C ATOM 775 CD GLU A 49 3.129 7.533 8.290 1.00 0.00 C ATOM 776 OE1 GLU A 49 2.406 7.113 9.221 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.126 6.913 7.876 1.00 0.00 O ATOM 0 H GLU A 49 3.336 8.819 5.116 1.00 0.00 H new ATOM 0 HA GLU A 49 1.703 6.718 6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.328 9.723 6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.682 8.499 7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.616 9.184 7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.624 9.609 8.400 1.00 0.00 H new ATOM 784 N GLN A 50 0.432 8.837 3.937 1.00 0.00 N ATOM 785 CA GLN A 50 -0.686 9.117 3.064 1.00 0.00 C ATOM 786 C GLN A 50 -0.838 7.997 2.034 1.00 0.00 C ATOM 787 O GLN A 50 -1.945 7.606 1.673 1.00 0.00 O ATOM 788 CB GLN A 50 -0.468 10.492 2.402 1.00 0.00 C ATOM 789 CG GLN A 50 -0.369 10.473 0.888 1.00 0.00 C ATOM 790 CD GLN A 50 -1.703 10.701 0.217 1.00 0.00 C ATOM 791 OE1 GLN A 50 -2.052 11.828 -0.131 1.00 0.00 O ATOM 792 NE2 GLN A 50 -2.475 9.643 0.082 1.00 0.00 N ATOM 0 H GLN A 50 1.191 9.515 3.872 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.615 9.156 3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.289 11.149 2.688 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.446 10.930 2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.333 11.241 0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.037 9.514 0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.143 8.727 0.385 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.405 9.739 -0.326 1.00 0.00 H new ATOM 801 N VAL A 51 0.281 7.443 1.618 1.00 0.00 N ATOM 802 CA VAL A 51 0.308 6.496 0.537 1.00 0.00 C ATOM 803 C VAL A 51 -0.312 5.178 0.983 1.00 0.00 C ATOM 804 O VAL A 51 -1.277 4.740 0.401 1.00 0.00 O ATOM 805 CB VAL A 51 1.752 6.332 -0.033 1.00 0.00 C ATOM 806 CG1 VAL A 51 2.322 4.937 0.162 1.00 0.00 C ATOM 807 CG2 VAL A 51 1.782 6.713 -1.502 1.00 0.00 C ATOM 0 H VAL A 51 1.196 7.640 2.024 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.297 6.874 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 51 2.389 7.008 0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.327 4.893 -0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.362 4.706 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.686 4.210 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.794 6.594 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.103 6.067 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.470 7.751 -1.615 1.00 0.00 H new ATOM 817 N ARG A 52 0.167 4.580 2.056 1.00 0.00 N ATOM 818 CA ARG A 52 -0.393 3.296 2.455 1.00 0.00 C ATOM 819 C ARG A 52 -1.709 3.509 3.172 1.00 0.00 C ATOM 820 O ARG A 52 -2.669 2.796 2.913 1.00 0.00 O ATOM 821 CB ARG A 52 0.582 2.502 3.331 1.00 0.00 C ATOM 822 CG ARG A 52 0.566 2.922 4.792 1.00 0.00 C ATOM 823 CD ARG A 52 1.667 2.278 5.610 1.00 0.00 C ATOM 824 NE ARG A 52 1.609 2.733 7.001 1.00 0.00 N ATOM 825 CZ ARG A 52 2.611 2.650 7.877 1.00 0.00 C ATOM 826 NH1 ARG A 52 3.743 2.047 7.557 1.00 0.00 N ATOM 827 NH2 ARG A 52 2.472 3.161 9.091 1.00 0.00 N ATOM 0 H ARG A 52 0.913 4.941 2.650 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.570 2.708 1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.338 1.442 3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.591 2.622 2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.664 4.006 4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.399 2.664 5.227 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.568 1.193 5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.638 2.525 5.181 1.00 0.00 H new ATOM 0 HE ARG A 52 0.734 3.145 7.325 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.858 1.638 6.630 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.501 1.991 8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.599 3.618 9.355 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.238 3.098 9.762 1.00 0.00 H new ATOM 841 N GLU A 53 -1.776 4.539 4.009 1.00 0.00 N ATOM 842 CA GLU A 53 -2.916 4.710 4.885 1.00 0.00 C ATOM 843 C GLU A 53 -4.109 5.210 4.128 1.00 0.00 C ATOM 844 O GLU A 53 -5.209 4.832 4.439 1.00 0.00 O ATOM 845 CB GLU A 53 -2.608 5.648 6.047 1.00 0.00 C ATOM 846 CG GLU A 53 -1.495 5.140 6.932 1.00 0.00 C ATOM 847 CD GLU A 53 -1.833 3.818 7.595 1.00 0.00 C ATOM 848 OE1 GLU A 53 -2.931 3.700 8.177 1.00 0.00 O ATOM 849 OE2 GLU A 53 -1.006 2.890 7.537 1.00 0.00 O ATOM 0 H GLU A 53 -1.059 5.259 4.095 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.145 3.727 5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.335 6.627 5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.508 5.784 6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.589 5.023 6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.279 5.883 7.700 1.00 0.00 H new ATOM 856 N LEU A 54 -3.912 6.035 3.122 1.00 0.00 N ATOM 857 CA LEU A 54 -5.056 6.542 2.397 1.00 0.00 C ATOM 858 C LEU A 54 -5.382 5.664 1.230 1.00 0.00 C ATOM 859 O LEU A 54 -6.531 5.565 0.852 1.00 0.00 O ATOM 860 CB LEU A 54 -4.902 7.993 1.959 1.00 0.00 C ATOM 861 CG LEU A 54 -5.073 8.989 3.093 1.00 0.00 C ATOM 862 CD1 LEU A 54 -3.845 8.957 3.973 1.00 0.00 C ATOM 863 CD2 LEU A 54 -5.331 10.389 2.557 1.00 0.00 C ATOM 0 H LEU A 54 -3.002 6.360 2.796 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.891 6.523 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.916 8.127 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.635 8.210 1.182 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.943 8.709 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.963 9.670 4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.717 7.955 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.968 9.222 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.450 11.082 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.489 10.704 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.240 10.386 1.955 1.00 0.00 H new ATOM 875 N TYR A 55 -4.407 4.987 0.669 1.00 0.00 N ATOM 876 CA TYR A 55 -4.738 4.044 -0.392 1.00 0.00 C ATOM 877 C TYR A 55 -5.713 3.017 0.156 1.00 0.00 C ATOM 878 O TYR A 55 -6.640 2.604 -0.520 1.00 0.00 O ATOM 879 CB TYR A 55 -3.521 3.325 -0.963 1.00 0.00 C ATOM 880 CG TYR A 55 -2.640 4.169 -1.865 1.00 0.00 C ATOM 881 CD1 TYR A 55 -2.996 5.463 -2.228 1.00 0.00 C ATOM 882 CD2 TYR A 55 -1.432 3.665 -2.340 1.00 0.00 C ATOM 883 CE1 TYR A 55 -2.176 6.228 -3.039 1.00 0.00 C ATOM 884 CE2 TYR A 55 -0.610 4.422 -3.150 1.00 0.00 C ATOM 885 CZ TYR A 55 -0.985 5.701 -3.497 1.00 0.00 C ATOM 886 OH TYR A 55 -0.166 6.454 -4.307 1.00 0.00 O ATOM 0 H TYR A 55 -3.418 5.059 0.910 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.176 4.617 -1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.917 2.953 -0.136 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.862 2.455 -1.525 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.927 5.878 -1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.133 2.663 -2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.466 7.232 -3.312 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.323 4.013 -3.510 1.00 0.00 H new ATOM 0 HH TYR A 55 0.632 5.935 -4.539 1.00 0.00 H new ATOM 896 N ARG A 56 -5.517 2.654 1.415 1.00 0.00 N ATOM 897 CA ARG A 56 -6.344 1.640 2.060 1.00 0.00 C ATOM 898 C ARG A 56 -7.690 2.188 2.562 1.00 0.00 C ATOM 899 O ARG A 56 -8.490 1.427 3.102 1.00 0.00 O ATOM 900 CB ARG A 56 -5.578 1.006 3.221 1.00 0.00 C ATOM 901 CG ARG A 56 -5.092 2.029 4.191 1.00 0.00 C ATOM 902 CD ARG A 56 -4.109 1.490 5.230 1.00 0.00 C ATOM 903 NE ARG A 56 -4.577 0.298 5.932 1.00 0.00 N ATOM 904 CZ ARG A 56 -4.302 0.036 7.212 1.00 0.00 C ATOM 905 NH1 ARG A 56 -3.695 0.938 7.980 1.00 0.00 N ATOM 906 NH2 ARG A 56 -4.650 -1.133 7.728 1.00 0.00 N ATOM 0 H ARG A 56 -4.790 3.047 2.013 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.571 0.890 1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.223 0.295 3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.730 0.443 2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.613 2.838 3.639 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.950 2.460 4.708 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.165 1.260 4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.905 2.272 5.961 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.146 -0.372 5.415 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.433 1.844 7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.492 0.723 8.956 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.124 -1.825 7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.444 -1.341 8.705 1.00 0.00 H new ATOM 920 N ARG A 57 -7.964 3.489 2.408 1.00 0.00 N ATOM 921 CA ARG A 57 -9.203 4.035 2.958 1.00 0.00 C ATOM 922 C ARG A 57 -9.811 5.138 2.092 1.00 0.00 C ATOM 923 O ARG A 57 -11.033 5.225 1.973 1.00 0.00 O ATOM 924 CB ARG A 57 -8.981 4.531 4.389 1.00 0.00 C ATOM 925 CG ARG A 57 -7.825 5.501 4.543 1.00 0.00 C ATOM 926 CD ARG A 57 -7.485 5.748 5.997 1.00 0.00 C ATOM 927 NE ARG A 57 -8.583 6.390 6.715 1.00 0.00 N ATOM 928 CZ ARG A 57 -8.505 6.824 7.969 1.00 0.00 C ATOM 929 NH1 ARG A 57 -7.399 6.641 8.676 1.00 0.00 N ATOM 930 NH2 ARG A 57 -9.556 7.412 8.525 1.00 0.00 N ATOM 0 H ARG A 57 -7.367 4.160 1.925 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.926 3.219 2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.894 5.014 4.739 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.807 3.671 5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.949 5.107 4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.078 6.447 4.064 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.242 4.801 6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.595 6.375 6.060 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.467 6.513 6.222 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.600 6.164 8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.347 6.977 9.638 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.417 7.529 7.991 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.503 7.747 9.487 1.00 0.00 H new ATOM 944 N TYR A 58 -8.977 5.981 1.496 1.00 0.00 N ATOM 945 CA TYR A 58 -9.479 7.038 0.626 1.00 0.00 C ATOM 946 C TYR A 58 -9.329 6.648 -0.851 1.00 0.00 C ATOM 947 O TYR A 58 -10.257 6.078 -1.366 1.00 0.00 O ATOM 948 CB TYR A 58 -8.841 8.400 0.949 1.00 0.00 C ATOM 949 CG TYR A 58 -9.349 9.043 2.214 1.00 0.00 C ATOM 950 CD1 TYR A 58 -9.476 8.296 3.358 1.00 0.00 C ATOM 951 CD2 TYR A 58 -9.688 10.387 2.263 1.00 0.00 C ATOM 952 CE1 TYR A 58 -9.926 8.845 4.531 1.00 0.00 C ATOM 953 CE2 TYR A 58 -10.144 10.959 3.436 1.00 0.00 C ATOM 954 CZ TYR A 58 -10.261 10.180 4.569 1.00 0.00 C ATOM 955 OH TYR A 58 -10.714 10.738 5.739 1.00 0.00 O ATOM 0 H TYR A 58 -7.962 5.955 1.597 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.545 7.154 0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.762 8.272 1.030 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.020 9.078 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.215 7.248 3.334 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.595 10.994 1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.017 8.235 5.418 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.406 12.006 3.465 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.905 11.688 5.596 1.00 0.00 H new ATOM 965 N PRO A 59 -8.176 6.882 -1.547 1.00 0.00 N ATOM 966 CA PRO A 59 -7.987 6.512 -2.961 1.00 0.00 C ATOM 967 C PRO A 59 -8.722 5.251 -3.450 1.00 0.00 C ATOM 968 O PRO A 59 -9.369 5.283 -4.496 1.00 0.00 O ATOM 969 CB PRO A 59 -6.478 6.312 -3.005 1.00 0.00 C ATOM 970 CG PRO A 59 -5.960 7.414 -2.167 1.00 0.00 C ATOM 971 CD PRO A 59 -6.964 7.586 -1.062 1.00 0.00 C ATOM 0 HA PRO A 59 -8.404 7.269 -3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.190 5.338 -2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.095 6.368 -4.024 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.975 7.173 -1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.854 8.331 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.603 7.156 -0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.167 8.640 -0.871 1.00 0.00 H new ATOM 979 N GLU A 60 -8.642 4.152 -2.707 1.00 0.00 N ATOM 980 CA GLU A 60 -9.233 2.889 -3.159 1.00 0.00 C ATOM 981 C GLU A 60 -10.733 2.826 -2.886 1.00 0.00 C ATOM 982 O GLU A 60 -11.457 2.057 -3.514 1.00 0.00 O ATOM 983 CB GLU A 60 -8.489 1.717 -2.526 1.00 0.00 C ATOM 984 CG GLU A 60 -8.962 0.341 -2.956 1.00 0.00 C ATOM 985 CD GLU A 60 -9.160 0.204 -4.453 1.00 0.00 C ATOM 986 OE1 GLU A 60 -8.275 0.615 -5.224 1.00 0.00 O ATOM 987 OE2 GLU A 60 -10.224 -0.315 -4.861 1.00 0.00 O ATOM 0 H GLU A 60 -8.180 4.105 -1.799 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.122 2.826 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.429 1.810 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.580 1.792 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.237 -0.402 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.902 0.116 -2.452 1.00 0.00 H new ATOM 994 N GLY A 61 -11.208 3.647 -1.974 1.00 0.00 N ATOM 995 CA GLY A 61 -12.636 3.752 -1.762 1.00 0.00 C ATOM 996 C GLY A 61 -13.163 4.995 -2.389 1.00 0.00 C ATOM 997 O GLY A 61 -14.371 5.219 -2.463 1.00 0.00 O ATOM 0 H GLY A 61 -10.637 4.243 -1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.138 2.882 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.852 3.756 -0.694 1.00 0.00 H new ATOM 1001 N ASP A 62 -12.223 5.774 -2.867 1.00 0.00 N ATOM 1002 CA ASP A 62 -12.503 7.093 -3.413 1.00 0.00 C ATOM 1003 C ASP A 62 -13.364 6.927 -4.638 1.00 0.00 C ATOM 1004 O ASP A 62 -12.889 6.480 -5.676 1.00 0.00 O ATOM 1005 CB ASP A 62 -11.213 7.845 -3.749 1.00 0.00 C ATOM 1006 CG ASP A 62 -11.427 9.343 -3.823 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -11.366 10.010 -2.765 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -11.655 9.860 -4.932 1.00 0.00 O ATOM 0 H ASP A 62 -11.236 5.516 -2.891 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.029 7.689 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.459 7.624 -2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.824 7.488 -4.702 1.00 0.00 H new ATOM 1013 N PRO A 63 -14.603 7.412 -4.555 1.00 0.00 N ATOM 1014 CA PRO A 63 -15.748 6.935 -5.287 1.00 0.00 C ATOM 1015 C PRO A 63 -15.472 5.724 -6.182 1.00 0.00 C ATOM 1016 O PRO A 63 -15.659 5.762 -7.398 1.00 0.00 O ATOM 1017 CB PRO A 63 -16.109 8.216 -6.026 1.00 0.00 C ATOM 1018 CG PRO A 63 -15.799 9.302 -5.009 1.00 0.00 C ATOM 1019 CD PRO A 63 -14.974 8.645 -3.905 1.00 0.00 C ATOM 0 HA PRO A 63 -16.550 6.520 -4.676 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.520 8.336 -6.935 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -17.158 8.229 -6.322 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.246 10.119 -5.472 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.717 9.728 -4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.107 9.243 -3.623 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.554 8.477 -2.997 1.00 0.00 H new ATOM 1027 N GLN A 64 -15.019 4.642 -5.540 1.00 0.00 N ATOM 1028 CA GLN A 64 -14.846 3.361 -6.203 1.00 0.00 C ATOM 1029 C GLN A 64 -15.175 2.202 -5.273 1.00 0.00 C ATOM 1030 O GLN A 64 -16.187 1.524 -5.474 1.00 0.00 O ATOM 1031 CB GLN A 64 -13.445 3.173 -6.800 1.00 0.00 C ATOM 1032 CG GLN A 64 -12.321 3.698 -5.942 1.00 0.00 C ATOM 1033 CD GLN A 64 -10.969 3.564 -6.610 1.00 0.00 C ATOM 1034 OE1 GLN A 64 -10.301 2.452 -6.360 1.00 0.00 O flip ATOM 1035 NE2 GLN A 64 -10.526 4.453 -7.341 1.00 0.00 N flip ATOM 0 H GLN A 64 -14.765 4.637 -4.552 1.00 0.00 H new ATOM 0 HA GLN A 64 -15.553 3.364 -7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.281 2.111 -6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -13.408 3.671 -7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.505 4.747 -5.710 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.309 3.159 -4.995 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.075 5.297 -7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.611 4.345 -7.779 1.00 0.00 H new ATOM 1044 N ALA A 65 -14.361 1.964 -4.239 1.00 0.00 N ATOM 1045 CA ALA A 65 -14.507 0.702 -3.518 1.00 0.00 C ATOM 1046 C ALA A 65 -14.159 0.763 -2.028 1.00 0.00 C ATOM 1047 O ALA A 65 -15.035 0.942 -1.182 1.00 0.00 O ATOM 1048 CB ALA A 65 -13.675 -0.363 -4.214 1.00 0.00 C ATOM 0 H ALA A 65 -13.633 2.592 -3.898 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.568 0.455 -3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.777 -1.309 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -14.022 -0.483 -5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.628 -0.061 -4.219 1.00 0.00 H new ATOM 1054 N THR A 66 -12.884 0.598 -1.718 1.00 0.00 N ATOM 1055 CA THR A 66 -12.416 0.423 -0.352 1.00 0.00 C ATOM 1056 C THR A 66 -12.444 1.752 0.437 1.00 0.00 C ATOM 1057 O THR A 66 -11.435 2.435 0.630 1.00 0.00 O ATOM 1058 CB THR A 66 -11.012 -0.227 -0.407 1.00 0.00 C ATOM 1059 OG1 THR A 66 -11.138 -1.635 -0.641 1.00 0.00 O ATOM 1060 CG2 THR A 66 -10.194 0.021 0.839 1.00 0.00 C ATOM 0 H THR A 66 -12.138 0.582 -2.413 1.00 0.00 H new ATOM 0 HA THR A 66 -13.086 -0.239 0.197 1.00 0.00 H new ATOM 0 HB THR A 66 -10.476 0.244 -1.231 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.247 -2.042 -0.677 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.221 -0.460 0.738 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.056 1.093 0.976 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.714 -0.391 1.704 1.00 0.00 H new ATOM 1068 N LEU A 67 -13.640 2.145 0.846 1.00 0.00 N ATOM 1069 CA LEU A 67 -13.840 3.401 1.538 1.00 0.00 C ATOM 1070 C LEU A 67 -13.871 3.192 3.042 1.00 0.00 C ATOM 1071 O LEU A 67 -14.868 2.706 3.584 1.00 0.00 O ATOM 1072 CB LEU A 67 -15.147 4.044 1.080 1.00 0.00 C ATOM 1073 CG LEU A 67 -15.259 5.528 1.396 1.00 0.00 C ATOM 1074 CD1 LEU A 67 -14.111 6.261 0.736 1.00 0.00 C ATOM 1075 CD2 LEU A 67 -16.598 6.075 0.924 1.00 0.00 C ATOM 0 H LEU A 67 -14.493 1.603 0.707 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.006 4.061 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.249 3.905 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.980 3.521 1.550 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.205 5.677 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -14.184 7.326 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.166 5.875 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.156 6.111 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -16.660 7.138 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -16.689 5.935 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -17.406 5.544 1.428 1.00 0.00 H new ATOM 1087 N GLU A 68 -12.772 3.554 3.707 1.00 0.00 N ATOM 1088 CA GLU A 68 -12.653 3.418 5.162 1.00 0.00 C ATOM 1089 C GLU A 68 -12.927 1.976 5.593 1.00 0.00 C ATOM 1090 O GLU A 68 -13.435 1.725 6.684 1.00 0.00 O ATOM 1091 CB GLU A 68 -13.630 4.372 5.861 1.00 0.00 C ATOM 1092 CG GLU A 68 -13.443 5.837 5.490 1.00 0.00 C ATOM 1093 CD GLU A 68 -12.291 6.492 6.220 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -11.136 6.065 6.035 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -12.541 7.444 6.990 1.00 0.00 O ATOM 0 H GLU A 68 -11.945 3.947 3.257 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.635 3.677 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.649 4.074 5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.517 4.264 6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.276 5.915 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.361 6.381 5.710 1.00 0.00 H new ATOM 1102 N ALA A 69 -12.579 1.035 4.724 1.00 0.00 N ATOM 1103 CA ALA A 69 -12.895 -0.371 4.940 1.00 0.00 C ATOM 1104 C ALA A 69 -11.640 -1.220 4.945 1.00 0.00 C ATOM 1105 O ALA A 69 -11.722 -2.446 4.886 1.00 0.00 O ATOM 1106 CB ALA A 69 -13.810 -0.858 3.844 1.00 0.00 C ATOM 0 H ALA A 69 -12.074 1.222 3.858 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.383 -0.462 5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.045 -1.910 4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -14.731 -0.275 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.316 -0.742 2.879 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.501 -0.533 4.995 1.00 0.00 N ATOM 1113 CA ALA A 70 -9.161 -1.142 4.940 1.00 0.00 C ATOM 1114 C ALA A 70 -9.119 -2.566 5.491 1.00 0.00 C ATOM 1115 O ALA A 70 -9.108 -2.778 6.707 1.00 0.00 O ATOM 1116 CB ALA A 70 -8.170 -0.275 5.696 1.00 0.00 C ATOM 0 H ALA A 70 -10.476 0.483 5.077 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.891 -1.203 3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.181 -0.730 5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.134 0.716 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.483 -0.187 6.736 1.00 0.00 H new TER 1122 ALA A 70