USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 643 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc=-0.00779 X(o=-0.0078,f=-0.25) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= -0.0691 (180deg=-0.385) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 25:sc= 0.336 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 16:sc= 0.337 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -27:sc= 0.38 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 173:sc= 0.142 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -122:sc= -0.0351 (180deg=-1.11) USER MOD Single : A 80 TYR OH : rot -11:sc= 1.23 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -106:sc= -0.192 (180deg=-3.27!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 174:sc= 0.00746 USER MOD Single : A 93 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-3.4!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N PHE A 9 12.340 16.284 5.628 1.00 0.00 N ATOM 81 CA PHE A 9 11.609 15.032 5.475 1.00 0.00 C ATOM 82 C PHE A 9 10.239 15.117 6.142 1.00 0.00 C ATOM 83 O PHE A 9 10.061 15.827 7.132 1.00 0.00 O ATOM 84 CB PHE A 9 12.409 13.873 6.074 1.00 0.00 C ATOM 85 CG PHE A 9 11.551 12.738 6.555 1.00 0.00 C ATOM 86 CD1 PHE A 9 11.014 12.752 7.832 1.00 0.00 C ATOM 87 CD2 PHE A 9 11.282 11.658 5.731 1.00 0.00 C ATOM 88 CE1 PHE A 9 10.225 11.708 8.278 1.00 0.00 C ATOM 89 CE2 PHE A 9 10.494 10.611 6.171 1.00 0.00 C ATOM 90 CZ PHE A 9 9.963 10.637 7.446 1.00 0.00 C ATOM 0 HA PHE A 9 11.465 14.853 4.410 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.107 13.498 5.325 1.00 0.00 H new ATOM 0 HB3 PHE A 9 13.005 14.246 6.907 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.214 13.588 8.486 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.693 11.633 4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.814 11.730 9.276 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.294 9.774 5.519 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.344 9.822 7.791 1.00 0.00 H new ATOM 100 N ASP A 10 9.274 14.389 5.591 1.00 0.00 N ATOM 101 CA ASP A 10 7.919 14.381 6.131 1.00 0.00 C ATOM 102 C ASP A 10 7.063 13.328 5.435 1.00 0.00 C ATOM 103 O ASP A 10 6.847 13.370 4.223 1.00 0.00 O ATOM 104 CB ASP A 10 7.278 15.761 5.978 1.00 0.00 C ATOM 105 CG ASP A 10 7.578 16.672 7.152 1.00 0.00 C ATOM 106 OD1 ASP A 10 7.097 16.382 8.267 1.00 0.00 O ATOM 107 OD2 ASP A 10 8.294 17.676 6.955 1.00 0.00 O ATOM 0 H ASP A 10 9.405 13.797 4.771 1.00 0.00 H new ATOM 0 HA ASP A 10 7.978 14.132 7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.638 16.226 5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.199 15.648 5.876 1.00 0.00 H new ATOM 112 N PRO A 11 6.563 12.359 6.216 1.00 0.00 N ATOM 113 CA PRO A 11 5.723 11.277 5.696 1.00 0.00 C ATOM 114 C PRO A 11 4.347 11.769 5.260 1.00 0.00 C ATOM 115 O PRO A 11 3.690 11.146 4.427 1.00 0.00 O ATOM 116 CB PRO A 11 5.597 10.322 6.886 1.00 0.00 C ATOM 117 CG PRO A 11 5.803 11.183 8.085 1.00 0.00 C ATOM 118 CD PRO A 11 6.780 12.247 7.669 1.00 0.00 C ATOM 0 HA PRO A 11 6.155 10.818 4.807 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.619 9.842 6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.341 9.527 6.837 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.862 11.624 8.414 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.192 10.601 8.921 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.587 13.191 8.178 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.806 11.963 7.902 1.00 0.00 H new ATOM 126 N SER A 12 3.918 12.891 5.829 1.00 0.00 N ATOM 127 CA SER A 12 2.618 13.465 5.500 1.00 0.00 C ATOM 128 C SER A 12 2.610 14.012 4.076 1.00 0.00 C ATOM 129 O SER A 12 1.583 13.994 3.397 1.00 0.00 O ATOM 130 CB SER A 12 2.265 14.579 6.488 1.00 0.00 C ATOM 131 OG SER A 12 2.313 14.109 7.825 1.00 0.00 O ATOM 0 H SER A 12 4.451 13.420 6.519 1.00 0.00 H new ATOM 0 HA SER A 12 1.871 12.675 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.959 15.411 6.366 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.268 14.961 6.269 1.00 0.00 H new ATOM 0 HG SER A 12 2.085 14.840 8.437 1.00 0.00 H new ATOM 137 N LYS A 13 3.762 14.500 3.630 1.00 0.00 N ATOM 138 CA LYS A 13 3.891 15.051 2.286 1.00 0.00 C ATOM 139 C LYS A 13 3.689 13.968 1.231 1.00 0.00 C ATOM 140 O LYS A 13 3.337 14.259 0.088 1.00 0.00 O ATOM 141 CB LYS A 13 5.266 15.701 2.109 1.00 0.00 C ATOM 142 CG LYS A 13 5.641 16.648 3.235 1.00 0.00 C ATOM 143 CD LYS A 13 4.986 18.008 3.061 1.00 0.00 C ATOM 144 CE LYS A 13 3.626 18.063 3.739 1.00 0.00 C ATOM 145 NZ LYS A 13 3.731 18.508 5.157 1.00 0.00 N ATOM 0 H LYS A 13 4.621 14.525 4.180 1.00 0.00 H new ATOM 0 HA LYS A 13 3.118 15.808 2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.022 14.919 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.282 16.247 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.339 16.217 4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.724 16.766 3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.633 18.780 3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.873 18.225 1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.975 18.744 3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.161 17.078 3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.783 18.532 5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.332 17.844 5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.151 19.459 5.192 1.00 0.00 H new ATOM 159 N VAL A 14 3.912 12.718 1.623 1.00 0.00 N ATOM 160 CA VAL A 14 3.752 11.591 0.712 1.00 0.00 C ATOM 161 C VAL A 14 2.281 11.348 0.392 1.00 0.00 C ATOM 162 O VAL A 14 1.445 11.260 1.291 1.00 0.00 O ATOM 163 CB VAL A 14 4.358 10.303 1.301 1.00 0.00 C ATOM 164 CG1 VAL A 14 4.176 9.139 0.338 1.00 0.00 C ATOM 165 CG2 VAL A 14 5.828 10.508 1.631 1.00 0.00 C ATOM 0 H VAL A 14 4.204 12.460 2.566 1.00 0.00 H new ATOM 0 HA VAL A 14 4.283 11.847 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 14 3.832 10.064 2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.610 8.238 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.113 8.979 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.674 9.365 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.239 9.588 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.371 10.772 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.929 11.312 2.360 1.00 0.00 H new ATOM 175 N VAL A 15 1.972 11.240 -0.896 1.00 0.00 N ATOM 176 CA VAL A 15 0.602 11.005 -1.336 1.00 0.00 C ATOM 177 C VAL A 15 0.479 9.671 -2.063 1.00 0.00 C ATOM 178 O VAL A 15 1.040 9.487 -3.143 1.00 0.00 O ATOM 179 CB VAL A 15 0.110 12.131 -2.265 1.00 0.00 C ATOM 180 CG1 VAL A 15 -1.304 11.845 -2.748 1.00 0.00 C ATOM 181 CG2 VAL A 15 0.179 13.475 -1.556 1.00 0.00 C ATOM 0 H VAL A 15 2.652 11.311 -1.653 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.019 10.986 -0.440 1.00 0.00 H new ATOM 0 HB VAL A 15 0.764 12.172 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.635 12.651 -3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.318 10.903 -3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.974 11.776 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.172 14.259 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.450 13.450 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.209 13.681 -1.266 1.00 0.00 H new ATOM 191 N ALA A 16 -0.259 8.742 -1.464 1.00 0.00 N ATOM 192 CA ALA A 16 -0.457 7.425 -2.056 1.00 0.00 C ATOM 193 C ALA A 16 -1.901 7.239 -2.510 1.00 0.00 C ATOM 194 O ALA A 16 -2.838 7.539 -1.770 1.00 0.00 O ATOM 195 CB ALA A 16 -0.070 6.337 -1.065 1.00 0.00 C ATOM 0 H ALA A 16 -0.730 8.877 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 16 0.186 7.348 -2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.223 5.359 -1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.979 6.450 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.689 6.422 -0.172 1.00 0.00 H new ATOM 201 N SER A 17 -2.073 6.744 -3.731 1.00 0.00 N ATOM 202 CA SER A 17 -3.404 6.523 -4.286 1.00 0.00 C ATOM 203 C SER A 17 -3.375 5.424 -5.344 1.00 0.00 C ATOM 204 O SER A 17 -2.331 4.831 -5.612 1.00 0.00 O ATOM 205 CB SER A 17 -3.948 7.817 -4.893 1.00 0.00 C ATOM 206 OG SER A 17 -3.099 8.294 -5.923 1.00 0.00 O ATOM 0 H SER A 17 -1.308 6.488 -4.355 1.00 0.00 H new ATOM 0 HA SER A 17 -4.061 6.207 -3.476 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.947 7.643 -5.292 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.043 8.575 -4.116 1.00 0.00 H new ATOM 0 HG SER A 17 -3.470 9.121 -6.296 1.00 0.00 H new ATOM 212 N GLY A 18 -4.532 5.158 -5.943 1.00 0.00 N ATOM 213 CA GLY A 18 -4.619 4.131 -6.965 1.00 0.00 C ATOM 214 C GLY A 18 -5.766 3.169 -6.724 1.00 0.00 C ATOM 215 O GLY A 18 -6.424 3.203 -5.685 1.00 0.00 O ATOM 0 H GLY A 18 -5.410 5.635 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.743 4.602 -7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.682 3.574 -6.997 1.00 0.00 H new ATOM 219 N PRO A 19 -6.019 2.287 -7.703 1.00 0.00 N ATOM 220 CA PRO A 19 -7.095 1.296 -7.616 1.00 0.00 C ATOM 221 C PRO A 19 -6.803 0.213 -6.582 1.00 0.00 C ATOM 222 O PRO A 19 -7.715 -0.310 -5.942 1.00 0.00 O ATOM 223 CB PRO A 19 -7.137 0.694 -9.023 1.00 0.00 C ATOM 224 CG PRO A 19 -5.765 0.899 -9.564 1.00 0.00 C ATOM 225 CD PRO A 19 -5.274 2.190 -8.969 1.00 0.00 C ATOM 0 HA PRO A 19 -8.037 1.744 -7.301 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.397 -0.364 -8.993 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.885 1.188 -9.643 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.111 0.071 -9.293 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.779 0.951 -10.653 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.197 2.171 -8.801 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.480 3.038 -9.622 1.00 0.00 H new ATOM 233 N GLY A 20 -5.525 -0.118 -6.423 1.00 0.00 N ATOM 234 CA GLY A 20 -5.137 -1.137 -5.465 1.00 0.00 C ATOM 235 C GLY A 20 -5.609 -0.821 -4.060 1.00 0.00 C ATOM 236 O GLY A 20 -5.915 -1.726 -3.282 1.00 0.00 O ATOM 0 H GLY A 20 -4.752 0.301 -6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.547 -2.098 -5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.052 -1.238 -5.466 1.00 0.00 H new ATOM 240 N LEU A 21 -5.668 0.465 -3.732 1.00 0.00 N ATOM 241 CA LEU A 21 -6.106 0.898 -2.409 1.00 0.00 C ATOM 242 C LEU A 21 -7.628 0.925 -2.321 1.00 0.00 C ATOM 243 O LEU A 21 -8.193 1.177 -1.257 1.00 0.00 O ATOM 244 CB LEU A 21 -5.540 2.283 -2.092 1.00 0.00 C ATOM 245 CG LEU A 21 -4.158 2.311 -1.438 1.00 0.00 C ATOM 246 CD1 LEU A 21 -3.423 3.593 -1.797 1.00 0.00 C ATOM 247 CD2 LEU A 21 -4.280 2.168 0.072 1.00 0.00 C ATOM 0 H LEU A 21 -5.418 1.226 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.732 0.183 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.493 2.855 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.241 2.798 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.580 1.468 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.442 3.595 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.303 3.653 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.997 4.451 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.287 2.190 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.876 2.990 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.765 1.221 0.310 1.00 0.00 H new ATOM 259 N GLU A 22 -8.286 0.662 -3.446 1.00 0.00 N ATOM 260 CA GLU A 22 -9.743 0.655 -3.494 1.00 0.00 C ATOM 261 C GLU A 22 -10.281 -0.774 -3.495 1.00 0.00 C ATOM 262 O GLU A 22 -11.328 -1.055 -2.911 1.00 0.00 O ATOM 263 CB GLU A 22 -10.238 1.399 -4.736 1.00 0.00 C ATOM 264 CG GLU A 22 -9.635 2.784 -4.896 1.00 0.00 C ATOM 265 CD GLU A 22 -10.514 3.712 -5.713 1.00 0.00 C ATOM 266 OE1 GLU A 22 -11.744 3.703 -5.499 1.00 0.00 O ATOM 267 OE2 GLU A 22 -9.971 4.446 -6.565 1.00 0.00 O ATOM 0 H GLU A 22 -7.833 0.451 -4.335 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.113 1.163 -2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.006 0.806 -5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.323 1.488 -4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.469 3.220 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.660 2.698 -5.375 1.00 0.00 H new ATOM 274 N HIS A 23 -9.557 -1.672 -4.155 1.00 0.00 N ATOM 275 CA HIS A 23 -9.960 -3.071 -4.233 1.00 0.00 C ATOM 276 C HIS A 23 -8.865 -3.917 -4.875 1.00 0.00 C ATOM 277 O HIS A 23 -7.942 -3.390 -5.495 1.00 0.00 O ATOM 278 CB HIS A 23 -11.258 -3.206 -5.030 1.00 0.00 C ATOM 279 CG HIS A 23 -11.123 -2.808 -6.467 1.00 0.00 C ATOM 280 ND1 HIS A 23 -10.741 -3.687 -7.459 1.00 0.00 N ATOM 281 CD2 HIS A 23 -11.322 -1.617 -7.079 1.00 0.00 C ATOM 282 CE1 HIS A 23 -10.710 -3.054 -8.618 1.00 0.00 C ATOM 283 NE2 HIS A 23 -11.059 -1.796 -8.414 1.00 0.00 N ATOM 0 H HIS A 23 -8.688 -1.456 -4.644 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.126 -3.433 -3.218 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.600 -4.240 -4.979 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.027 -2.592 -4.562 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.630 -0.697 -6.605 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.445 -3.490 -9.570 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.123 -1.075 -9.132 1.00 0.00 H new ATOM 292 N GLY A 24 -8.974 -5.234 -4.722 1.00 0.00 N ATOM 293 CA GLY A 24 -7.986 -6.131 -5.291 1.00 0.00 C ATOM 294 C GLY A 24 -8.571 -7.480 -5.659 1.00 0.00 C ATOM 295 O GLY A 24 -9.695 -7.803 -5.275 1.00 0.00 O ATOM 0 H GLY A 24 -9.729 -5.695 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.552 -5.672 -6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.175 -6.273 -4.577 1.00 0.00 H new ATOM 299 N LYS A 25 -7.809 -8.270 -6.407 1.00 0.00 N ATOM 300 CA LYS A 25 -8.258 -9.592 -6.828 1.00 0.00 C ATOM 301 C LYS A 25 -7.111 -10.597 -6.779 1.00 0.00 C ATOM 302 O LYS A 25 -5.972 -10.271 -7.113 1.00 0.00 O ATOM 303 CB LYS A 25 -8.836 -9.530 -8.244 1.00 0.00 C ATOM 304 CG LYS A 25 -9.844 -10.628 -8.538 1.00 0.00 C ATOM 305 CD LYS A 25 -10.257 -10.628 -10.000 1.00 0.00 C ATOM 306 CE LYS A 25 -11.585 -11.341 -10.203 1.00 0.00 C ATOM 307 NZ LYS A 25 -12.716 -10.592 -9.588 1.00 0.00 N ATOM 0 H LYS A 25 -6.877 -8.018 -6.735 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.036 -9.921 -6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.314 -8.561 -8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.020 -9.595 -8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.415 -11.596 -8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.725 -10.493 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.336 -9.601 -10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.486 -11.115 -10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.770 -11.467 -11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.531 -12.339 -9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.608 -10.877 -10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.760 -10.804 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.570 -9.571 -9.723 1.00 0.00 H new ATOM 321 N VAL A 26 -7.420 -11.821 -6.363 1.00 0.00 N ATOM 322 CA VAL A 26 -6.416 -12.874 -6.274 1.00 0.00 C ATOM 323 C VAL A 26 -5.676 -13.042 -7.596 1.00 0.00 C ATOM 324 O VAL A 26 -6.271 -13.402 -8.611 1.00 0.00 O ATOM 325 CB VAL A 26 -7.050 -14.221 -5.878 1.00 0.00 C ATOM 326 CG1 VAL A 26 -5.999 -15.322 -5.863 1.00 0.00 C ATOM 327 CG2 VAL A 26 -7.736 -14.110 -4.525 1.00 0.00 C ATOM 0 H VAL A 26 -8.358 -12.108 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.709 -12.572 -5.502 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.804 -14.480 -6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.465 -16.266 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.558 -15.417 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.221 -15.072 -5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.178 -15.071 -4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.004 -13.827 -3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.518 -13.352 -4.575 1.00 0.00 H new ATOM 337 N GLY A 27 -4.373 -12.779 -7.577 1.00 0.00 N ATOM 338 CA GLY A 27 -3.572 -12.907 -8.780 1.00 0.00 C ATOM 339 C GLY A 27 -3.350 -11.577 -9.473 1.00 0.00 C ATOM 340 O GLY A 27 -2.356 -11.395 -10.174 1.00 0.00 O ATOM 0 H GLY A 27 -3.858 -12.479 -6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.607 -13.346 -8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.063 -13.594 -9.469 1.00 0.00 H new ATOM 344 N GLU A 28 -4.279 -10.647 -9.277 1.00 0.00 N ATOM 345 CA GLU A 28 -4.180 -9.328 -9.891 1.00 0.00 C ATOM 346 C GLU A 28 -3.074 -8.505 -9.237 1.00 0.00 C ATOM 347 O GLU A 28 -2.439 -8.948 -8.280 1.00 0.00 O ATOM 348 CB GLU A 28 -5.515 -8.588 -9.780 1.00 0.00 C ATOM 349 CG GLU A 28 -6.470 -8.880 -10.925 1.00 0.00 C ATOM 350 CD GLU A 28 -5.961 -8.359 -12.255 1.00 0.00 C ATOM 351 OE1 GLU A 28 -5.150 -9.060 -12.896 1.00 0.00 O ATOM 352 OE2 GLU A 28 -6.375 -7.251 -12.656 1.00 0.00 O ATOM 0 H GLU A 28 -5.108 -10.782 -8.698 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.934 -9.463 -10.944 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.995 -8.860 -8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.324 -7.516 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.627 -9.956 -10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.439 -8.430 -10.709 1.00 0.00 H new ATOM 359 N ALA A 29 -2.849 -7.305 -9.761 1.00 0.00 N ATOM 360 CA ALA A 29 -1.821 -6.419 -9.228 1.00 0.00 C ATOM 361 C ALA A 29 -2.422 -5.097 -8.765 1.00 0.00 C ATOM 362 O ALA A 29 -3.076 -4.397 -9.536 1.00 0.00 O ATOM 363 CB ALA A 29 -0.743 -6.173 -10.274 1.00 0.00 C ATOM 0 H ALA A 29 -3.365 -6.924 -10.554 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.369 -6.905 -8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.018 -5.510 -9.863 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.285 -7.121 -10.554 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.189 -5.711 -11.155 1.00 0.00 H new ATOM 369 N GLY A 30 -2.197 -4.761 -7.498 1.00 0.00 N ATOM 370 CA GLY A 30 -2.724 -3.524 -6.953 1.00 0.00 C ATOM 371 C GLY A 30 -1.899 -2.317 -7.352 1.00 0.00 C ATOM 372 O GLY A 30 -0.870 -2.029 -6.740 1.00 0.00 O ATOM 0 H GLY A 30 -1.659 -5.324 -6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.750 -3.388 -7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.757 -3.594 -5.866 1.00 0.00 H new ATOM 376 N LEU A 31 -2.349 -1.609 -8.382 1.00 0.00 N ATOM 377 CA LEU A 31 -1.645 -0.426 -8.864 1.00 0.00 C ATOM 378 C LEU A 31 -1.664 0.684 -7.818 1.00 0.00 C ATOM 379 O LEU A 31 -2.729 1.158 -7.420 1.00 0.00 O ATOM 380 CB LEU A 31 -2.276 0.073 -10.165 1.00 0.00 C ATOM 381 CG LEU A 31 -2.381 -0.950 -11.296 1.00 0.00 C ATOM 382 CD1 LEU A 31 -3.295 -0.437 -12.398 1.00 0.00 C ATOM 383 CD2 LEU A 31 -1.002 -1.274 -11.853 1.00 0.00 C ATOM 0 H LEU A 31 -3.199 -1.834 -8.900 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.608 -0.703 -9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.277 0.442 -9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.696 0.923 -10.524 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.812 -1.866 -10.891 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.357 -1.179 -13.194 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.290 -0.257 -11.991 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.894 0.493 -12.800 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.097 -2.004 -12.657 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.543 -0.364 -12.241 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.377 -1.686 -11.061 1.00 0.00 H new ATOM 395 N LEU A 32 -0.480 1.095 -7.377 1.00 0.00 N ATOM 396 CA LEU A 32 -0.360 2.151 -6.377 1.00 0.00 C ATOM 397 C LEU A 32 0.687 3.179 -6.794 1.00 0.00 C ATOM 398 O LEU A 32 1.806 2.824 -7.164 1.00 0.00 O ATOM 399 CB LEU A 32 0.007 1.554 -5.018 1.00 0.00 C ATOM 400 CG LEU A 32 -0.880 0.411 -4.524 1.00 0.00 C ATOM 401 CD1 LEU A 32 -0.353 -0.145 -3.211 1.00 0.00 C ATOM 402 CD2 LEU A 32 -2.319 0.882 -4.367 1.00 0.00 C ATOM 0 H LEU A 32 0.410 0.713 -7.696 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.324 2.654 -6.297 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.035 1.194 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.016 2.352 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.859 -0.387 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.997 -0.958 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.660 -0.521 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.343 0.644 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.936 0.055 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.358 1.698 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.695 1.231 -5.329 1.00 0.00 H new ATOM 414 N SER A 33 0.315 4.453 -6.731 1.00 0.00 N ATOM 415 CA SER A 33 1.222 5.533 -7.103 1.00 0.00 C ATOM 416 C SER A 33 1.472 6.465 -5.921 1.00 0.00 C ATOM 417 O SER A 33 0.534 6.987 -5.319 1.00 0.00 O ATOM 418 CB SER A 33 0.649 6.326 -8.280 1.00 0.00 C ATOM 419 OG SER A 33 1.680 6.948 -9.026 1.00 0.00 O ATOM 0 H SER A 33 -0.608 4.763 -6.426 1.00 0.00 H new ATOM 0 HA SER A 33 2.172 5.090 -7.401 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.078 5.660 -8.927 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.044 7.082 -7.910 1.00 0.00 H new ATOM 0 HG SER A 33 1.288 7.447 -9.773 1.00 0.00 H new ATOM 425 N VAL A 34 2.744 6.669 -5.595 1.00 0.00 N ATOM 426 CA VAL A 34 3.119 7.538 -4.486 1.00 0.00 C ATOM 427 C VAL A 34 3.782 8.815 -4.989 1.00 0.00 C ATOM 428 O VAL A 34 4.917 8.791 -5.467 1.00 0.00 O ATOM 429 CB VAL A 34 4.077 6.824 -3.513 1.00 0.00 C ATOM 430 CG1 VAL A 34 4.450 7.745 -2.361 1.00 0.00 C ATOM 431 CG2 VAL A 34 3.450 5.538 -2.997 1.00 0.00 C ATOM 0 H VAL A 34 3.532 6.244 -6.083 1.00 0.00 H new ATOM 0 HA VAL A 34 2.200 7.793 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 34 4.989 6.566 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.127 7.225 -1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.942 8.636 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.549 8.035 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.140 5.046 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.522 5.770 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.238 4.875 -3.836 1.00 0.00 H new ATOM 441 N ASP A 35 3.068 9.929 -4.878 1.00 0.00 N ATOM 442 CA ASP A 35 3.587 11.218 -5.320 1.00 0.00 C ATOM 443 C ASP A 35 4.196 11.988 -4.153 1.00 0.00 C ATOM 444 O ASP A 35 3.481 12.466 -3.271 1.00 0.00 O ATOM 445 CB ASP A 35 2.476 12.045 -5.969 1.00 0.00 C ATOM 446 CG ASP A 35 3.013 13.235 -6.739 1.00 0.00 C ATOM 447 OD1 ASP A 35 3.940 13.901 -6.231 1.00 0.00 O ATOM 448 OD2 ASP A 35 2.509 13.500 -7.850 1.00 0.00 O ATOM 0 H ASP A 35 2.127 9.966 -4.485 1.00 0.00 H new ATOM 0 HA ASP A 35 4.369 11.033 -6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.901 11.410 -6.643 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.790 12.395 -5.198 1.00 0.00 H new ATOM 453 N CYS A 36 5.519 12.103 -4.152 1.00 0.00 N ATOM 454 CA CYS A 36 6.225 12.813 -3.091 1.00 0.00 C ATOM 455 C CYS A 36 6.559 14.239 -3.520 1.00 0.00 C ATOM 456 O CYS A 36 7.162 14.456 -4.571 1.00 0.00 O ATOM 457 CB CYS A 36 7.506 12.068 -2.715 1.00 0.00 C ATOM 458 SG CYS A 36 8.743 12.013 -4.033 1.00 0.00 S ATOM 0 H CYS A 36 6.125 11.714 -4.874 1.00 0.00 H new ATOM 0 HA CYS A 36 5.571 12.858 -2.220 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.946 12.543 -1.838 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.250 11.048 -2.429 1.00 0.00 H new ATOM 0 HG CYS A 36 8.571 13.024 -4.832 1.00 0.00 H new ATOM 464 N SER A 37 6.160 15.206 -2.701 1.00 0.00 N ATOM 465 CA SER A 37 6.412 16.612 -2.998 1.00 0.00 C ATOM 466 C SER A 37 7.470 17.184 -2.059 1.00 0.00 C ATOM 467 O SER A 37 8.572 17.527 -2.485 1.00 0.00 O ATOM 468 CB SER A 37 5.118 17.419 -2.880 1.00 0.00 C ATOM 469 OG SER A 37 4.251 17.156 -3.970 1.00 0.00 O ATOM 0 H SER A 37 5.661 15.042 -1.827 1.00 0.00 H new ATOM 0 HA SER A 37 6.783 16.682 -4.020 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.616 17.172 -1.944 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.351 18.483 -2.846 1.00 0.00 H new ATOM 0 HG SER A 37 3.431 17.683 -3.870 1.00 0.00 H new ATOM 475 N GLU A 38 7.124 17.284 -0.779 1.00 0.00 N ATOM 476 CA GLU A 38 8.044 17.816 0.220 1.00 0.00 C ATOM 477 C GLU A 38 8.363 16.765 1.280 1.00 0.00 C ATOM 478 O GLU A 38 8.723 17.097 2.409 1.00 0.00 O ATOM 479 CB GLU A 38 7.448 19.060 0.883 1.00 0.00 C ATOM 480 CG GLU A 38 7.785 20.354 0.161 1.00 0.00 C ATOM 481 CD GLU A 38 9.270 20.658 0.171 1.00 0.00 C ATOM 482 OE1 GLU A 38 9.969 20.169 1.084 1.00 0.00 O ATOM 483 OE2 GLU A 38 9.734 21.384 -0.733 1.00 0.00 O ATOM 0 H GLU A 38 6.215 17.004 -0.410 1.00 0.00 H new ATOM 0 HA GLU A 38 8.970 18.090 -0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.364 18.952 0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.808 19.122 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.438 20.291 -0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.246 21.178 0.629 1.00 0.00 H new ATOM 490 N ALA A 39 8.227 15.497 0.907 1.00 0.00 N ATOM 491 CA ALA A 39 8.501 14.397 1.824 1.00 0.00 C ATOM 492 C ALA A 39 9.999 14.249 2.070 1.00 0.00 C ATOM 493 O ALA A 39 10.430 13.388 2.836 1.00 0.00 O ATOM 494 CB ALA A 39 7.923 13.099 1.279 1.00 0.00 C ATOM 0 H ALA A 39 7.929 15.206 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 39 8.023 14.623 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.135 12.286 1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.844 13.203 1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.375 12.877 0.312 1.00 0.00 H new ATOM 500 N GLY A 40 10.789 15.095 1.415 1.00 0.00 N ATOM 501 CA GLY A 40 12.230 15.041 1.576 1.00 0.00 C ATOM 502 C GLY A 40 12.791 13.657 1.313 1.00 0.00 C ATOM 503 O GLY A 40 12.195 12.848 0.602 1.00 0.00 O ATOM 0 H GLY A 40 10.456 15.817 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.696 15.754 0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.491 15.349 2.588 1.00 0.00 H new ATOM 507 N PRO A 41 13.965 13.370 1.894 1.00 0.00 N ATOM 508 CA PRO A 41 14.633 12.076 1.732 1.00 0.00 C ATOM 509 C PRO A 41 13.894 10.948 2.444 1.00 0.00 C ATOM 510 O PRO A 41 12.748 11.111 2.861 1.00 0.00 O ATOM 511 CB PRO A 41 16.006 12.302 2.370 1.00 0.00 C ATOM 512 CG PRO A 41 15.790 13.402 3.351 1.00 0.00 C ATOM 513 CD PRO A 41 14.731 14.287 2.755 1.00 0.00 C ATOM 0 HA PRO A 41 14.679 11.770 0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.368 11.399 2.861 1.00 0.00 H new ATOM 0 HB3 PRO A 41 16.750 12.578 1.622 1.00 0.00 H new ATOM 0 HG2 PRO A 41 15.471 13.007 4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 41 16.712 13.958 3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.102 14.735 3.524 1.00 0.00 H new ATOM 0 HD3 PRO A 41 15.167 15.106 2.183 1.00 0.00 H new ATOM 521 N GLY A 42 14.557 9.804 2.581 1.00 0.00 N ATOM 522 CA GLY A 42 13.947 8.667 3.244 1.00 0.00 C ATOM 523 C GLY A 42 13.629 7.538 2.284 1.00 0.00 C ATOM 524 O GLY A 42 13.548 7.748 1.074 1.00 0.00 O ATOM 0 H GLY A 42 15.507 9.644 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.618 8.301 4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.030 8.988 3.739 1.00 0.00 H new ATOM 528 N ALA A 43 13.450 6.337 2.824 1.00 0.00 N ATOM 529 CA ALA A 43 13.138 5.171 2.006 1.00 0.00 C ATOM 530 C ALA A 43 11.674 4.772 2.153 1.00 0.00 C ATOM 531 O ALA A 43 11.104 4.854 3.242 1.00 0.00 O ATOM 532 CB ALA A 43 14.044 4.007 2.381 1.00 0.00 C ATOM 0 H ALA A 43 13.516 6.146 3.824 1.00 0.00 H new ATOM 0 HA ALA A 43 13.312 5.433 0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.801 3.143 1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.084 4.288 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.897 3.755 3.431 1.00 0.00 H new ATOM 538 N LEU A 44 11.070 4.341 1.052 1.00 0.00 N ATOM 539 CA LEU A 44 9.670 3.930 1.058 1.00 0.00 C ATOM 540 C LEU A 44 9.548 2.415 1.185 1.00 0.00 C ATOM 541 O LEU A 44 10.414 1.672 0.726 1.00 0.00 O ATOM 542 CB LEU A 44 8.973 4.404 -0.219 1.00 0.00 C ATOM 543 CG LEU A 44 7.515 3.976 -0.386 1.00 0.00 C ATOM 544 CD1 LEU A 44 6.611 4.791 0.525 1.00 0.00 C ATOM 545 CD2 LEU A 44 7.081 4.117 -1.838 1.00 0.00 C ATOM 0 H LEU A 44 11.527 4.267 0.143 1.00 0.00 H new ATOM 0 HA LEU A 44 9.186 4.389 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.017 5.493 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.539 4.037 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 44 7.430 2.927 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.577 4.472 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.907 4.638 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.700 5.848 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.041 3.808 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.182 5.157 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.709 3.487 -2.468 1.00 0.00 H new ATOM 557 N GLY A 45 8.465 1.964 1.810 1.00 0.00 N ATOM 558 CA GLY A 45 8.248 0.539 1.984 1.00 0.00 C ATOM 559 C GLY A 45 6.802 0.207 2.296 1.00 0.00 C ATOM 560 O GLY A 45 6.094 1.002 2.914 1.00 0.00 O ATOM 0 H GLY A 45 7.734 2.559 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.550 0.015 1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.884 0.173 2.790 1.00 0.00 H new ATOM 564 N LEU A 46 6.362 -0.971 1.867 1.00 0.00 N ATOM 565 CA LEU A 46 4.990 -1.407 2.103 1.00 0.00 C ATOM 566 C LEU A 46 4.952 -2.862 2.561 1.00 0.00 C ATOM 567 O LEU A 46 5.800 -3.665 2.175 1.00 0.00 O ATOM 568 CB LEU A 46 4.155 -1.238 0.833 1.00 0.00 C ATOM 569 CG LEU A 46 2.684 -1.645 0.937 1.00 0.00 C ATOM 570 CD1 LEU A 46 1.863 -0.523 1.553 1.00 0.00 C ATOM 571 CD2 LEU A 46 2.136 -2.021 -0.432 1.00 0.00 C ATOM 0 H LEU A 46 6.935 -1.641 1.354 1.00 0.00 H new ATOM 0 HA LEU A 46 4.568 -0.786 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.201 -0.192 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.618 -1.822 0.038 1.00 0.00 H new ATOM 0 HG LEU A 46 2.613 -2.518 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.819 -0.830 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.240 -0.302 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.940 0.368 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.089 -2.308 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.220 -1.167 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.707 -2.858 -0.835 1.00 0.00 H new ATOM 583 N GLU A 47 3.962 -3.192 3.384 1.00 0.00 N ATOM 584 CA GLU A 47 3.813 -4.550 3.893 1.00 0.00 C ATOM 585 C GLU A 47 2.365 -5.017 3.784 1.00 0.00 C ATOM 586 O GLU A 47 1.482 -4.501 4.469 1.00 0.00 O ATOM 587 CB GLU A 47 4.277 -4.627 5.349 1.00 0.00 C ATOM 588 CG GLU A 47 4.333 -6.044 5.896 1.00 0.00 C ATOM 589 CD GLU A 47 5.682 -6.701 5.676 1.00 0.00 C ATOM 590 OE1 GLU A 47 6.698 -5.975 5.649 1.00 0.00 O ATOM 591 OE2 GLU A 47 5.722 -7.940 5.529 1.00 0.00 O ATOM 0 H GLU A 47 3.252 -2.538 3.712 1.00 0.00 H new ATOM 0 HA GLU A 47 4.435 -5.208 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.266 -4.176 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.604 -4.034 5.968 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.111 -6.027 6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.558 -6.645 5.419 1.00 0.00 H new ATOM 598 N ALA A 48 2.128 -5.996 2.916 1.00 0.00 N ATOM 599 CA ALA A 48 0.788 -6.533 2.718 1.00 0.00 C ATOM 600 C ALA A 48 0.575 -7.797 3.545 1.00 0.00 C ATOM 601 O ALA A 48 1.357 -8.744 3.463 1.00 0.00 O ATOM 602 CB ALA A 48 0.547 -6.819 1.243 1.00 0.00 C ATOM 0 H ALA A 48 2.847 -6.433 2.339 1.00 0.00 H new ATOM 0 HA ALA A 48 0.070 -5.785 3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.458 -7.220 1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.648 -5.896 0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.278 -7.546 0.889 1.00 0.00 H new ATOM 608 N VAL A 49 -0.489 -7.804 4.343 1.00 0.00 N ATOM 609 CA VAL A 49 -0.804 -8.952 5.184 1.00 0.00 C ATOM 610 C VAL A 49 -2.312 -9.152 5.298 1.00 0.00 C ATOM 611 O VAL A 49 -3.047 -8.226 5.639 1.00 0.00 O ATOM 612 CB VAL A 49 -0.211 -8.792 6.597 1.00 0.00 C ATOM 613 CG1 VAL A 49 -0.782 -9.842 7.538 1.00 0.00 C ATOM 614 CG2 VAL A 49 1.307 -8.876 6.549 1.00 0.00 C ATOM 0 H VAL A 49 -1.146 -7.028 4.424 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.359 -9.825 4.707 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.486 -7.809 6.979 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.352 -9.713 8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.865 -9.730 7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.539 -10.837 7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.710 -8.761 7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.605 -9.844 6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.695 -8.083 5.910 1.00 0.00 H new ATOM 624 N SER A 50 -2.765 -10.368 5.009 1.00 0.00 N ATOM 625 CA SER A 50 -4.186 -10.690 5.076 1.00 0.00 C ATOM 626 C SER A 50 -4.584 -11.101 6.490 1.00 0.00 C ATOM 627 O SER A 50 -3.746 -11.529 7.283 1.00 0.00 O ATOM 628 CB SER A 50 -4.522 -11.812 4.092 1.00 0.00 C ATOM 629 OG SER A 50 -5.918 -11.885 3.860 1.00 0.00 O ATOM 0 H SER A 50 -2.169 -11.146 4.726 1.00 0.00 H new ATOM 0 HA SER A 50 -4.749 -9.797 4.805 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.002 -11.641 3.149 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.165 -12.764 4.485 1.00 0.00 H new ATOM 0 HG SER A 50 -6.345 -11.059 4.169 1.00 0.00 H new ATOM 635 N ASP A 51 -5.869 -10.967 6.798 1.00 0.00 N ATOM 636 CA ASP A 51 -6.381 -11.325 8.115 1.00 0.00 C ATOM 637 C ASP A 51 -5.856 -12.689 8.550 1.00 0.00 C ATOM 638 O ASP A 51 -5.688 -12.950 9.742 1.00 0.00 O ATOM 639 CB ASP A 51 -7.911 -11.332 8.107 1.00 0.00 C ATOM 640 CG ASP A 51 -8.498 -11.171 9.496 1.00 0.00 C ATOM 641 OD1 ASP A 51 -8.418 -12.132 10.289 1.00 0.00 O ATOM 642 OD2 ASP A 51 -9.039 -10.084 9.789 1.00 0.00 O ATOM 0 H ASP A 51 -6.575 -10.613 6.153 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.033 -10.578 8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.272 -10.526 7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.265 -12.267 7.672 1.00 0.00 H new ATOM 647 N SER A 52 -5.600 -13.557 7.576 1.00 0.00 N ATOM 648 CA SER A 52 -5.099 -14.897 7.859 1.00 0.00 C ATOM 649 C SER A 52 -3.573 -14.917 7.859 1.00 0.00 C ATOM 650 O SER A 52 -2.955 -15.944 7.583 1.00 0.00 O ATOM 651 CB SER A 52 -5.633 -15.892 6.827 1.00 0.00 C ATOM 652 OG SER A 52 -7.048 -15.956 6.865 1.00 0.00 O ATOM 0 H SER A 52 -5.731 -13.356 6.585 1.00 0.00 H new ATOM 0 HA SER A 52 -5.449 -15.188 8.849 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.306 -15.597 5.830 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.216 -16.880 7.020 1.00 0.00 H new ATOM 0 HG SER A 52 -7.365 -16.597 6.195 1.00 0.00 H new ATOM 658 N GLY A 53 -2.972 -13.773 8.171 1.00 0.00 N ATOM 659 CA GLY A 53 -1.524 -13.680 8.201 1.00 0.00 C ATOM 660 C GLY A 53 -0.884 -14.177 6.921 1.00 0.00 C ATOM 661 O GLY A 53 -0.053 -15.086 6.944 1.00 0.00 O ATOM 0 H GLY A 53 -3.462 -12.909 8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.233 -12.643 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.143 -14.259 9.042 1.00 0.00 H new ATOM 665 N THR A 54 -1.272 -13.582 5.797 1.00 0.00 N ATOM 666 CA THR A 54 -0.733 -13.971 4.500 1.00 0.00 C ATOM 667 C THR A 54 0.072 -12.837 3.876 1.00 0.00 C ATOM 668 O THR A 54 -0.479 -11.797 3.513 1.00 0.00 O ATOM 669 CB THR A 54 -1.853 -14.387 3.528 1.00 0.00 C ATOM 670 OG1 THR A 54 -2.821 -15.191 4.211 1.00 0.00 O ATOM 671 CG2 THR A 54 -1.285 -15.160 2.347 1.00 0.00 C ATOM 0 H THR A 54 -1.958 -12.828 5.759 1.00 0.00 H new ATOM 0 HA THR A 54 -0.078 -14.824 4.673 1.00 0.00 H new ATOM 0 HB THR A 54 -2.333 -13.483 3.153 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.530 -15.450 3.586 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.095 -15.443 1.674 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.571 -14.534 1.812 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.782 -16.057 2.707 1.00 0.00 H new ATOM 679 N LYS A 55 1.378 -13.043 3.752 1.00 0.00 N ATOM 680 CA LYS A 55 2.260 -12.039 3.169 1.00 0.00 C ATOM 681 C LYS A 55 2.167 -12.050 1.647 1.00 0.00 C ATOM 682 O LYS A 55 2.551 -13.024 1.000 1.00 0.00 O ATOM 683 CB LYS A 55 3.707 -12.286 3.604 1.00 0.00 C ATOM 684 CG LYS A 55 3.941 -12.068 5.089 1.00 0.00 C ATOM 685 CD LYS A 55 5.217 -12.747 5.558 1.00 0.00 C ATOM 686 CE LYS A 55 5.326 -12.742 7.075 1.00 0.00 C ATOM 687 NZ LYS A 55 6.583 -13.389 7.542 1.00 0.00 N ATOM 0 H LYS A 55 1.850 -13.897 4.048 1.00 0.00 H new ATOM 0 HA LYS A 55 1.941 -11.060 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.985 -13.308 3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.365 -11.625 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.999 -10.999 5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.093 -12.456 5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.239 -13.774 5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.080 -12.238 5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.289 -11.715 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.469 -13.262 7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.620 -13.366 8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.607 -14.377 7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.401 -12.877 7.155 1.00 0.00 H new ATOM 701 N ALA A 56 1.656 -10.961 1.082 1.00 0.00 N ATOM 702 CA ALA A 56 1.516 -10.845 -0.365 1.00 0.00 C ATOM 703 C ALA A 56 2.777 -10.263 -0.993 1.00 0.00 C ATOM 704 O ALA A 56 3.490 -9.481 -0.365 1.00 0.00 O ATOM 705 CB ALA A 56 0.307 -9.989 -0.711 1.00 0.00 C ATOM 0 H ALA A 56 1.332 -10.147 1.604 1.00 0.00 H new ATOM 0 HA ALA A 56 1.367 -11.845 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.215 -9.911 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.593 -10.448 -0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.432 -8.994 -0.285 1.00 0.00 H new ATOM 711 N GLU A 57 3.046 -10.650 -2.236 1.00 0.00 N ATOM 712 CA GLU A 57 4.223 -10.166 -2.948 1.00 0.00 C ATOM 713 C GLU A 57 4.101 -8.676 -3.252 1.00 0.00 C ATOM 714 O GLU A 57 3.147 -8.238 -3.895 1.00 0.00 O ATOM 715 CB GLU A 57 4.418 -10.949 -4.249 1.00 0.00 C ATOM 716 CG GLU A 57 5.870 -11.057 -4.683 1.00 0.00 C ATOM 717 CD GLU A 57 6.016 -11.500 -6.126 1.00 0.00 C ATOM 718 OE1 GLU A 57 5.137 -12.243 -6.611 1.00 0.00 O ATOM 719 OE2 GLU A 57 7.010 -11.103 -6.770 1.00 0.00 O ATOM 0 H GLU A 57 2.466 -11.297 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 57 5.091 -10.318 -2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.009 -11.952 -4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.845 -10.468 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.357 -10.091 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.387 -11.765 -4.035 1.00 0.00 H new ATOM 726 N VAL A 58 5.074 -7.901 -2.784 1.00 0.00 N ATOM 727 CA VAL A 58 5.077 -6.460 -3.006 1.00 0.00 C ATOM 728 C VAL A 58 6.402 -5.998 -3.602 1.00 0.00 C ATOM 729 O VAL A 58 7.460 -6.543 -3.288 1.00 0.00 O ATOM 730 CB VAL A 58 4.821 -5.690 -1.696 1.00 0.00 C ATOM 731 CG1 VAL A 58 4.850 -4.190 -1.944 1.00 0.00 C ATOM 732 CG2 VAL A 58 3.494 -6.112 -1.082 1.00 0.00 C ATOM 0 H VAL A 58 5.870 -8.247 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 58 4.272 -6.247 -3.709 1.00 0.00 H new ATOM 0 HB VAL A 58 5.616 -5.932 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.667 -3.663 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.826 -3.905 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.077 -3.926 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.329 -5.559 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.686 -5.900 -1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.516 -7.180 -0.867 1.00 0.00 H new ATOM 742 N SER A 59 6.336 -4.989 -4.466 1.00 0.00 N ATOM 743 CA SER A 59 7.530 -4.455 -5.110 1.00 0.00 C ATOM 744 C SER A 59 7.452 -2.936 -5.227 1.00 0.00 C ATOM 745 O SER A 59 6.367 -2.368 -5.358 1.00 0.00 O ATOM 746 CB SER A 59 7.708 -5.076 -6.497 1.00 0.00 C ATOM 747 OG SER A 59 8.915 -4.642 -7.099 1.00 0.00 O ATOM 0 H SER A 59 5.468 -4.526 -4.736 1.00 0.00 H new ATOM 0 HA SER A 59 8.391 -4.710 -4.492 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.709 -6.163 -6.415 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.864 -4.805 -7.131 1.00 0.00 H new ATOM 0 HG SER A 59 9.006 -5.054 -7.983 1.00 0.00 H new ATOM 753 N ILE A 60 8.609 -2.285 -5.177 1.00 0.00 N ATOM 754 CA ILE A 60 8.672 -0.832 -5.278 1.00 0.00 C ATOM 755 C ILE A 60 9.595 -0.399 -6.412 1.00 0.00 C ATOM 756 O ILE A 60 10.745 -0.831 -6.488 1.00 0.00 O ATOM 757 CB ILE A 60 9.160 -0.197 -3.963 1.00 0.00 C ATOM 758 CG1 ILE A 60 8.189 -0.516 -2.825 1.00 0.00 C ATOM 759 CG2 ILE A 60 9.316 1.308 -4.127 1.00 0.00 C ATOM 760 CD1 ILE A 60 8.783 -0.314 -1.449 1.00 0.00 C ATOM 0 H ILE A 60 9.515 -2.740 -5.067 1.00 0.00 H new ATOM 0 HA ILE A 60 7.659 -0.486 -5.485 1.00 0.00 H new ATOM 0 HB ILE A 60 10.134 -0.619 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.305 0.113 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.857 -1.550 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.662 1.742 -3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.043 1.515 -4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.355 1.746 -4.397 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.038 -0.559 -0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.650 -0.963 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.089 0.726 -1.334 1.00 0.00 H new ATOM 772 N GLN A 61 9.083 0.457 -7.290 1.00 0.00 N ATOM 773 CA GLN A 61 9.863 0.950 -8.420 1.00 0.00 C ATOM 774 C GLN A 61 9.874 2.474 -8.451 1.00 0.00 C ATOM 775 O GLN A 61 8.876 3.118 -8.130 1.00 0.00 O ATOM 776 CB GLN A 61 9.297 0.405 -9.733 1.00 0.00 C ATOM 777 CG GLN A 61 10.343 0.239 -10.823 1.00 0.00 C ATOM 778 CD GLN A 61 9.737 -0.145 -12.159 1.00 0.00 C ATOM 779 OE1 GLN A 61 9.085 0.668 -12.815 1.00 0.00 O ATOM 780 NE2 GLN A 61 9.950 -1.390 -12.570 1.00 0.00 N ATOM 0 H GLN A 61 8.132 0.824 -7.241 1.00 0.00 H new ATOM 0 HA GLN A 61 10.889 0.601 -8.301 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.826 -0.559 -9.543 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.516 1.077 -10.089 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.898 1.171 -10.934 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.060 -0.524 -10.520 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.496 -2.031 -11.994 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.567 -1.705 -13.461 1.00 0.00 H new ATOM 858 N THR A 67 8.190 9.697 -8.455 1.00 0.00 N ATOM 859 CA THR A 67 7.138 8.900 -7.836 1.00 0.00 C ATOM 860 C THR A 67 7.570 7.447 -7.676 1.00 0.00 C ATOM 861 O THR A 67 8.641 7.053 -8.139 1.00 0.00 O ATOM 862 CB THR A 67 5.837 8.949 -8.660 1.00 0.00 C ATOM 863 OG1 THR A 67 6.143 8.953 -10.058 1.00 0.00 O ATOM 864 CG2 THR A 67 5.021 10.185 -8.310 1.00 0.00 C ATOM 0 HA THR A 67 6.953 9.331 -6.852 1.00 0.00 H new ATOM 0 HB THR A 67 5.247 8.064 -8.420 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.032 9.341 -10.197 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.107 10.198 -8.904 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.765 10.164 -7.251 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.606 11.080 -8.524 1.00 0.00 H new ATOM 872 N TYR A 68 6.732 6.655 -7.017 1.00 0.00 N ATOM 873 CA TYR A 68 7.029 5.245 -6.794 1.00 0.00 C ATOM 874 C TYR A 68 5.852 4.368 -7.211 1.00 0.00 C ATOM 875 O TYR A 68 4.704 4.644 -6.864 1.00 0.00 O ATOM 876 CB TYR A 68 7.367 5.000 -5.323 1.00 0.00 C ATOM 877 CG TYR A 68 8.575 5.771 -4.842 1.00 0.00 C ATOM 878 CD1 TYR A 68 8.473 7.111 -4.489 1.00 0.00 C ATOM 879 CD2 TYR A 68 9.818 5.160 -4.739 1.00 0.00 C ATOM 880 CE1 TYR A 68 9.574 7.820 -4.050 1.00 0.00 C ATOM 881 CE2 TYR A 68 10.925 5.860 -4.299 1.00 0.00 C ATOM 882 CZ TYR A 68 10.798 7.190 -3.957 1.00 0.00 C ATOM 883 OH TYR A 68 11.897 7.893 -3.518 1.00 0.00 O ATOM 0 H TYR A 68 5.842 6.965 -6.628 1.00 0.00 H new ATOM 0 HA TYR A 68 7.891 4.980 -7.406 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.506 5.271 -4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.543 3.935 -5.172 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.516 7.607 -4.559 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.921 4.119 -5.008 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.477 8.862 -3.781 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.884 5.369 -4.223 1.00 0.00 H new ATOM 0 HH TYR A 68 12.680 7.304 -3.509 1.00 0.00 H new ATOM 893 N ALA A 69 6.147 3.308 -7.957 1.00 0.00 N ATOM 894 CA ALA A 69 5.115 2.388 -8.419 1.00 0.00 C ATOM 895 C ALA A 69 5.040 1.154 -7.526 1.00 0.00 C ATOM 896 O ALA A 69 5.781 0.190 -7.720 1.00 0.00 O ATOM 897 CB ALA A 69 5.378 1.983 -9.862 1.00 0.00 C ATOM 0 H ALA A 69 7.092 3.065 -8.254 1.00 0.00 H new ATOM 0 HA ALA A 69 4.155 2.901 -8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.600 1.296 -10.195 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.374 2.870 -10.495 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.349 1.493 -9.931 1.00 0.00 H new ATOM 903 N VAL A 70 4.142 1.191 -6.547 1.00 0.00 N ATOM 904 CA VAL A 70 3.970 0.076 -5.624 1.00 0.00 C ATOM 905 C VAL A 70 2.864 -0.862 -6.096 1.00 0.00 C ATOM 906 O VAL A 70 1.763 -0.423 -6.429 1.00 0.00 O ATOM 907 CB VAL A 70 3.640 0.568 -4.203 1.00 0.00 C ATOM 908 CG1 VAL A 70 3.158 -0.585 -3.337 1.00 0.00 C ATOM 909 CG2 VAL A 70 4.850 1.245 -3.579 1.00 0.00 C ATOM 0 H VAL A 70 3.522 1.982 -6.373 1.00 0.00 H new ATOM 0 HA VAL A 70 4.916 -0.465 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 70 2.836 1.301 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.930 -0.218 -2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.261 -1.020 -3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.937 -1.345 -3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.598 1.586 -2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.676 0.536 -3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.144 2.099 -4.189 1.00 0.00 H new ATOM 919 N THR A 71 3.164 -2.157 -6.121 1.00 0.00 N ATOM 920 CA THR A 71 2.197 -3.157 -6.552 1.00 0.00 C ATOM 921 C THR A 71 2.167 -4.343 -5.595 1.00 0.00 C ATOM 922 O THR A 71 3.176 -4.674 -4.971 1.00 0.00 O ATOM 923 CB THR A 71 2.509 -3.667 -7.972 1.00 0.00 C ATOM 924 OG1 THR A 71 3.017 -2.596 -8.776 1.00 0.00 O ATOM 925 CG2 THR A 71 1.265 -4.251 -8.624 1.00 0.00 C ATOM 0 H THR A 71 4.070 -2.537 -5.847 1.00 0.00 H new ATOM 0 HA THR A 71 1.222 -2.670 -6.554 1.00 0.00 H new ATOM 0 HB THR A 71 3.261 -4.452 -7.895 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.215 -2.928 -9.677 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.511 -4.604 -9.625 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.898 -5.084 -8.025 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.494 -3.483 -8.689 1.00 0.00 H new ATOM 933 N TYR A 72 1.006 -4.978 -5.483 1.00 0.00 N ATOM 934 CA TYR A 72 0.846 -6.127 -4.599 1.00 0.00 C ATOM 935 C TYR A 72 -0.040 -7.189 -5.241 1.00 0.00 C ATOM 936 O TYR A 72 -1.133 -6.894 -5.724 1.00 0.00 O ATOM 937 CB TYR A 72 0.247 -5.688 -3.261 1.00 0.00 C ATOM 938 CG TYR A 72 -1.248 -5.463 -3.312 1.00 0.00 C ATOM 939 CD1 TYR A 72 -2.133 -6.533 -3.268 1.00 0.00 C ATOM 940 CD2 TYR A 72 -1.774 -4.180 -3.404 1.00 0.00 C ATOM 941 CE1 TYR A 72 -3.499 -6.332 -3.315 1.00 0.00 C ATOM 942 CE2 TYR A 72 -3.139 -3.970 -3.450 1.00 0.00 C ATOM 943 CZ TYR A 72 -3.997 -5.049 -3.406 1.00 0.00 C ATOM 944 OH TYR A 72 -5.357 -4.845 -3.451 1.00 0.00 O ATOM 0 H TYR A 72 0.162 -4.717 -5.993 1.00 0.00 H new ATOM 0 HA TYR A 72 1.831 -6.559 -4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.467 -6.445 -2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.734 -4.767 -2.939 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.747 -7.539 -3.196 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.105 -3.333 -3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.173 -7.175 -3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.532 -2.966 -3.520 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.546 -3.885 -3.399 1.00 0.00 H new ATOM 954 N VAL A 73 0.440 -8.429 -5.243 1.00 0.00 N ATOM 955 CA VAL A 73 -0.307 -9.538 -5.824 1.00 0.00 C ATOM 956 C VAL A 73 -0.816 -10.484 -4.743 1.00 0.00 C ATOM 957 O VAL A 73 -0.079 -11.318 -4.215 1.00 0.00 O ATOM 958 CB VAL A 73 0.554 -10.333 -6.823 1.00 0.00 C ATOM 959 CG1 VAL A 73 -0.189 -11.570 -7.302 1.00 0.00 C ATOM 960 CG2 VAL A 73 0.955 -9.453 -7.998 1.00 0.00 C ATOM 0 H VAL A 73 1.343 -8.690 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.156 -9.105 -6.353 1.00 0.00 H new ATOM 0 HB VAL A 73 1.462 -10.658 -6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.435 -12.119 -8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.421 -12.208 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.115 -11.271 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.563 -10.031 -8.694 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.060 -9.096 -8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.530 -8.601 -7.635 1.00 0.00 H new ATOM 970 N PRO A 74 -2.107 -10.355 -4.403 1.00 0.00 N ATOM 971 CA PRO A 74 -2.744 -11.192 -3.382 1.00 0.00 C ATOM 972 C PRO A 74 -2.907 -12.638 -3.836 1.00 0.00 C ATOM 973 O PRO A 74 -3.655 -12.926 -4.771 1.00 0.00 O ATOM 974 CB PRO A 74 -4.114 -10.535 -3.189 1.00 0.00 C ATOM 975 CG PRO A 74 -4.383 -9.836 -4.477 1.00 0.00 C ATOM 976 CD PRO A 74 -3.045 -9.383 -4.990 1.00 0.00 C ATOM 0 HA PRO A 74 -2.149 -11.246 -2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.882 -11.277 -2.973 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.103 -9.835 -2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.868 -10.503 -5.189 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.051 -8.988 -4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.007 -9.396 -6.079 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.818 -8.365 -4.675 1.00 0.00 H new ATOM 984 N LEU A 75 -2.203 -13.546 -3.169 1.00 0.00 N ATOM 985 CA LEU A 75 -2.270 -14.964 -3.504 1.00 0.00 C ATOM 986 C LEU A 75 -3.613 -15.558 -3.093 1.00 0.00 C ATOM 987 O LEU A 75 -4.140 -16.451 -3.758 1.00 0.00 O ATOM 988 CB LEU A 75 -1.132 -15.724 -2.819 1.00 0.00 C ATOM 989 CG LEU A 75 0.282 -15.218 -3.107 1.00 0.00 C ATOM 990 CD1 LEU A 75 1.285 -15.881 -2.176 1.00 0.00 C ATOM 991 CD2 LEU A 75 0.653 -15.472 -4.561 1.00 0.00 C ATOM 0 H LEU A 75 -1.579 -13.325 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.166 -15.062 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.296 -15.690 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.190 -16.771 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 75 0.307 -14.143 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.286 -15.509 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.030 -15.649 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.259 -16.961 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.662 -15.106 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.611 -16.542 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.049 -14.951 -5.212 1.00 0.00 H new ATOM 1003 N THR A 76 -4.166 -15.055 -1.993 1.00 0.00 N ATOM 1004 CA THR A 76 -5.448 -15.534 -1.494 1.00 0.00 C ATOM 1005 C THR A 76 -6.403 -14.376 -1.229 1.00 0.00 C ATOM 1006 O THR A 76 -5.999 -13.330 -0.722 1.00 0.00 O ATOM 1007 CB THR A 76 -5.277 -16.350 -0.198 1.00 0.00 C ATOM 1008 OG1 THR A 76 -6.524 -16.949 0.171 1.00 0.00 O ATOM 1009 CG2 THR A 76 -4.777 -15.467 0.935 1.00 0.00 C ATOM 0 H THR A 76 -3.745 -14.315 -1.431 1.00 0.00 H new ATOM 0 HA THR A 76 -5.867 -16.177 -2.268 1.00 0.00 H new ATOM 0 HB THR A 76 -4.539 -17.131 -0.381 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.407 -17.467 0.994 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.664 -16.065 1.839 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.814 -15.036 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.494 -14.667 1.116 1.00 0.00 H new ATOM 1017 N ALA A 77 -7.671 -14.570 -1.575 1.00 0.00 N ATOM 1018 CA ALA A 77 -8.684 -13.541 -1.372 1.00 0.00 C ATOM 1019 C ALA A 77 -8.954 -13.323 0.113 1.00 0.00 C ATOM 1020 O ALA A 77 -8.687 -14.196 0.938 1.00 0.00 O ATOM 1021 CB ALA A 77 -9.970 -13.917 -2.094 1.00 0.00 C ATOM 0 H ALA A 77 -8.022 -15.430 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.306 -12.607 -1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.718 -13.140 -1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.772 -14.016 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.342 -14.864 -1.704 1.00 0.00 H new ATOM 1027 N GLY A 78 -9.486 -12.151 0.447 1.00 0.00 N ATOM 1028 CA GLY A 78 -9.783 -11.838 1.833 1.00 0.00 C ATOM 1029 C GLY A 78 -9.383 -10.425 2.207 1.00 0.00 C ATOM 1030 O GLY A 78 -8.785 -9.709 1.405 1.00 0.00 O ATOM 0 H GLY A 78 -9.717 -11.413 -0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.850 -11.969 2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.263 -12.543 2.481 1.00 0.00 H new ATOM 1034 N MET A 79 -9.716 -10.021 3.429 1.00 0.00 N ATOM 1035 CA MET A 79 -9.388 -8.683 3.907 1.00 0.00 C ATOM 1036 C MET A 79 -7.880 -8.514 4.058 1.00 0.00 C ATOM 1037 O MET A 79 -7.230 -9.272 4.780 1.00 0.00 O ATOM 1038 CB MET A 79 -10.080 -8.412 5.244 1.00 0.00 C ATOM 1039 CG MET A 79 -11.580 -8.196 5.120 1.00 0.00 C ATOM 1040 SD MET A 79 -11.994 -6.809 4.044 1.00 0.00 S ATOM 1041 CE MET A 79 -11.507 -5.426 5.072 1.00 0.00 C ATOM 0 H MET A 79 -10.212 -10.601 4.106 1.00 0.00 H new ATOM 0 HA MET A 79 -9.744 -7.964 3.170 1.00 0.00 H new ATOM 0 HB2 MET A 79 -9.896 -9.251 5.915 1.00 0.00 H new ATOM 0 HB3 MET A 79 -9.631 -7.532 5.704 1.00 0.00 H new ATOM 0 HG2 MET A 79 -12.043 -9.103 4.732 1.00 0.00 H new ATOM 0 HG3 MET A 79 -12.001 -8.022 6.110 1.00 0.00 H new ATOM 0 HE1 MET A 79 -12.364 -4.773 5.233 1.00 0.00 H new ATOM 0 HE2 MET A 79 -11.147 -5.795 6.032 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.713 -4.867 4.577 1.00 0.00 H new ATOM 1051 N TYR A 80 -7.329 -7.518 3.375 1.00 0.00 N ATOM 1052 CA TYR A 80 -5.897 -7.252 3.431 1.00 0.00 C ATOM 1053 C TYR A 80 -5.609 -5.986 4.233 1.00 0.00 C ATOM 1054 O TYR A 80 -6.443 -5.083 4.312 1.00 0.00 O ATOM 1055 CB TYR A 80 -5.326 -7.115 2.019 1.00 0.00 C ATOM 1056 CG TYR A 80 -4.870 -8.427 1.420 1.00 0.00 C ATOM 1057 CD1 TYR A 80 -5.772 -9.277 0.793 1.00 0.00 C ATOM 1058 CD2 TYR A 80 -3.538 -8.815 1.482 1.00 0.00 C ATOM 1059 CE1 TYR A 80 -5.361 -10.477 0.246 1.00 0.00 C ATOM 1060 CE2 TYR A 80 -3.117 -10.013 0.936 1.00 0.00 C ATOM 1061 CZ TYR A 80 -4.032 -10.840 0.319 1.00 0.00 C ATOM 1062 OH TYR A 80 -3.618 -12.034 -0.226 1.00 0.00 O ATOM 0 H TYR A 80 -7.853 -6.881 2.775 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.417 -8.094 3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.083 -6.673 1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.484 -6.424 2.042 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.813 -8.995 0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.819 -8.170 1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.076 -11.127 -0.236 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.077 -10.300 0.992 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.400 -12.577 -0.457 1.00 0.00 H new ATOM 1072 N THR A 81 -4.420 -5.926 4.826 1.00 0.00 N ATOM 1073 CA THR A 81 -4.021 -4.772 5.621 1.00 0.00 C ATOM 1074 C THR A 81 -2.758 -4.128 5.060 1.00 0.00 C ATOM 1075 O THR A 81 -1.643 -4.533 5.391 1.00 0.00 O ATOM 1076 CB THR A 81 -3.775 -5.162 7.091 1.00 0.00 C ATOM 1077 OG1 THR A 81 -4.974 -5.694 7.664 1.00 0.00 O ATOM 1078 CG2 THR A 81 -3.311 -3.959 7.899 1.00 0.00 C ATOM 0 H THR A 81 -3.717 -6.663 4.770 1.00 0.00 H new ATOM 0 HA THR A 81 -4.842 -4.056 5.574 1.00 0.00 H new ATOM 0 HB THR A 81 -2.993 -5.921 7.117 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.809 -5.941 8.598 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.144 -4.258 8.934 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.382 -3.574 7.478 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.074 -3.182 7.865 1.00 0.00 H new ATOM 1086 N LEU A 82 -2.940 -3.123 4.211 1.00 0.00 N ATOM 1087 CA LEU A 82 -1.814 -2.422 3.604 1.00 0.00 C ATOM 1088 C LEU A 82 -1.090 -1.561 4.633 1.00 0.00 C ATOM 1089 O LEU A 82 -1.709 -0.764 5.339 1.00 0.00 O ATOM 1090 CB LEU A 82 -2.297 -1.550 2.443 1.00 0.00 C ATOM 1091 CG LEU A 82 -3.365 -2.167 1.539 1.00 0.00 C ATOM 1092 CD1 LEU A 82 -3.877 -1.142 0.540 1.00 0.00 C ATOM 1093 CD2 LEU A 82 -2.813 -3.389 0.818 1.00 0.00 C ATOM 0 H LEU A 82 -3.856 -2.775 3.927 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.115 -3.168 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.690 -0.619 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.436 -1.289 1.828 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.201 -2.485 2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.636 -1.600 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.312 -0.298 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.050 -0.792 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.587 -3.815 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.959 -3.096 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.498 -4.132 1.551 1.00 0.00 H new ATOM 1105 N THR A 83 0.227 -1.724 4.713 1.00 0.00 N ATOM 1106 CA THR A 83 1.037 -0.962 5.655 1.00 0.00 C ATOM 1107 C THR A 83 2.197 -0.270 4.949 1.00 0.00 C ATOM 1108 O THR A 83 3.185 -0.907 4.588 1.00 0.00 O ATOM 1109 CB THR A 83 1.595 -1.862 6.773 1.00 0.00 C ATOM 1110 OG1 THR A 83 0.539 -2.638 7.351 1.00 0.00 O ATOM 1111 CG2 THR A 83 2.269 -1.029 7.853 1.00 0.00 C ATOM 0 H THR A 83 0.756 -2.378 4.136 1.00 0.00 H new ATOM 0 HA THR A 83 0.383 -0.210 6.097 1.00 0.00 H new ATOM 0 HB THR A 83 2.337 -2.529 6.335 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.903 -3.209 8.060 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.655 -1.687 8.632 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.091 -0.463 7.416 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.544 -0.340 8.287 1.00 0.00 H new ATOM 1119 N MET A 84 2.069 1.039 4.755 1.00 0.00 N ATOM 1120 CA MET A 84 3.109 1.818 4.093 1.00 0.00 C ATOM 1121 C MET A 84 3.881 2.663 5.102 1.00 0.00 C ATOM 1122 O MET A 84 3.310 3.169 6.068 1.00 0.00 O ATOM 1123 CB MET A 84 2.496 2.718 3.019 1.00 0.00 C ATOM 1124 CG MET A 84 3.527 3.371 2.112 1.00 0.00 C ATOM 1125 SD MET A 84 3.900 2.375 0.656 1.00 0.00 S ATOM 1126 CE MET A 84 2.603 2.906 -0.459 1.00 0.00 C ATOM 0 H MET A 84 1.256 1.582 5.047 1.00 0.00 H new ATOM 0 HA MET A 84 3.804 1.123 3.621 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.810 2.128 2.410 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.905 3.496 3.502 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.160 4.347 1.795 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.444 3.542 2.675 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.852 2.121 -0.544 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.138 3.812 -0.071 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.028 3.109 -1.442 1.00 0.00 H new ATOM 1136 N LYS A 85 5.181 2.812 4.871 1.00 0.00 N ATOM 1137 CA LYS A 85 6.031 3.596 5.759 1.00 0.00 C ATOM 1138 C LYS A 85 7.096 4.348 4.967 1.00 0.00 C ATOM 1139 O LYS A 85 7.845 3.752 4.193 1.00 0.00 O ATOM 1140 CB LYS A 85 6.696 2.688 6.796 1.00 0.00 C ATOM 1141 CG LYS A 85 5.858 2.474 8.044 1.00 0.00 C ATOM 1142 CD LYS A 85 6.729 2.241 9.267 1.00 0.00 C ATOM 1143 CE LYS A 85 6.028 1.361 10.291 1.00 0.00 C ATOM 1144 NZ LYS A 85 6.658 1.466 11.636 1.00 0.00 N ATOM 0 H LYS A 85 5.669 2.400 4.076 1.00 0.00 H new ATOM 0 HA LYS A 85 5.404 4.324 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.905 1.721 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.655 3.119 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.222 3.343 8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.198 1.619 7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.666 1.773 8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.983 3.198 9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.978 1.647 10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.055 0.324 9.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.152 0.852 12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.653 1.169 11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.610 2.451 11.966 1.00 0.00 H new ATOM 1158 N TYR A 86 7.160 5.660 5.168 1.00 0.00 N ATOM 1159 CA TYR A 86 8.133 6.493 4.472 1.00 0.00 C ATOM 1160 C TYR A 86 9.138 7.091 5.452 1.00 0.00 C ATOM 1161 O TYR A 86 8.784 7.910 6.300 1.00 0.00 O ATOM 1162 CB TYR A 86 7.424 7.611 3.706 1.00 0.00 C ATOM 1163 CG TYR A 86 8.285 8.258 2.645 1.00 0.00 C ATOM 1164 CD1 TYR A 86 8.317 7.759 1.349 1.00 0.00 C ATOM 1165 CD2 TYR A 86 9.065 9.370 2.938 1.00 0.00 C ATOM 1166 CE1 TYR A 86 9.103 8.347 0.376 1.00 0.00 C ATOM 1167 CE2 TYR A 86 9.852 9.965 1.972 1.00 0.00 C ATOM 1168 CZ TYR A 86 9.868 9.450 0.693 1.00 0.00 C ATOM 1169 OH TYR A 86 10.651 10.039 -0.274 1.00 0.00 O ATOM 0 H TYR A 86 6.550 6.169 5.807 1.00 0.00 H new ATOM 0 HA TYR A 86 8.673 5.863 3.765 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.527 7.207 3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.098 8.374 4.413 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.717 6.897 1.097 1.00 0.00 H new ATOM 0 HD2 TYR A 86 9.056 9.776 3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 86 9.118 7.945 -0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.452 10.829 2.217 1.00 0.00 H new ATOM 0 HH TYR A 86 11.056 10.855 0.086 1.00 0.00 H new ATOM 1179 N GLY A 87 10.395 6.675 5.329 1.00 0.00 N ATOM 1180 CA GLY A 87 11.433 7.179 6.209 1.00 0.00 C ATOM 1181 C GLY A 87 11.274 6.687 7.634 1.00 0.00 C ATOM 1182 O GLY A 87 11.798 7.292 8.569 1.00 0.00 O ATOM 0 H GLY A 87 10.713 5.998 4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.408 6.873 5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 87 11.415 8.269 6.200 1.00 0.00 H new ATOM 1186 N GLY A 88 10.548 5.586 7.801 1.00 0.00 N ATOM 1187 CA GLY A 88 10.333 5.033 9.126 1.00 0.00 C ATOM 1188 C GLY A 88 9.096 5.598 9.796 1.00 0.00 C ATOM 1189 O GLY A 88 8.850 5.340 10.974 1.00 0.00 O ATOM 0 H GLY A 88 10.105 5.067 7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.240 3.949 9.053 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.205 5.238 9.748 1.00 0.00 H new ATOM 1193 N GLU A 89 8.318 6.371 9.045 1.00 0.00 N ATOM 1194 CA GLU A 89 7.102 6.975 9.576 1.00 0.00 C ATOM 1195 C GLU A 89 5.897 6.628 8.706 1.00 0.00 C ATOM 1196 O GLU A 89 5.950 6.739 7.480 1.00 0.00 O ATOM 1197 CB GLU A 89 7.259 8.494 9.667 1.00 0.00 C ATOM 1198 CG GLU A 89 8.476 8.934 10.464 1.00 0.00 C ATOM 1199 CD GLU A 89 8.269 10.267 11.156 1.00 0.00 C ATOM 1200 OE1 GLU A 89 7.121 10.562 11.547 1.00 0.00 O ATOM 1201 OE2 GLU A 89 9.258 11.016 11.306 1.00 0.00 O ATOM 0 H GLU A 89 8.508 6.594 8.068 1.00 0.00 H new ATOM 0 HA GLU A 89 6.934 6.574 10.575 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.327 8.905 8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.364 8.917 10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.711 8.175 11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.336 9.004 9.798 1.00 0.00 H new ATOM 1208 N LEU A 90 4.813 6.208 9.348 1.00 0.00 N ATOM 1209 CA LEU A 90 3.594 5.844 8.633 1.00 0.00 C ATOM 1210 C LEU A 90 3.078 7.016 7.805 1.00 0.00 C ATOM 1211 O LEU A 90 3.281 8.177 8.160 1.00 0.00 O ATOM 1212 CB LEU A 90 2.518 5.388 9.620 1.00 0.00 C ATOM 1213 CG LEU A 90 2.476 3.890 9.922 1.00 0.00 C ATOM 1214 CD1 LEU A 90 1.432 3.589 10.987 1.00 0.00 C ATOM 1215 CD2 LEU A 90 2.190 3.098 8.654 1.00 0.00 C ATOM 0 H LEU A 90 4.753 6.111 10.362 1.00 0.00 H new ATOM 0 HA LEU A 90 3.830 5.022 7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.663 5.923 10.558 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.545 5.687 9.230 1.00 0.00 H new ATOM 0 HG LEU A 90 3.452 3.588 10.303 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.416 2.518 11.189 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.680 4.127 11.902 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.451 3.906 10.634 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.164 2.034 8.888 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.227 3.403 8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.974 3.289 7.921 1.00 0.00 H new ATOM 1227 N VAL A 91 2.406 6.704 6.701 1.00 0.00 N ATOM 1228 CA VAL A 91 1.857 7.731 5.825 1.00 0.00 C ATOM 1229 C VAL A 91 0.376 7.959 6.105 1.00 0.00 C ATOM 1230 O VAL A 91 -0.305 7.121 6.697 1.00 0.00 O ATOM 1231 CB VAL A 91 2.036 7.357 4.341 1.00 0.00 C ATOM 1232 CG1 VAL A 91 3.339 7.927 3.800 1.00 0.00 C ATOM 1233 CG2 VAL A 91 1.990 5.847 4.163 1.00 0.00 C ATOM 0 H VAL A 91 2.229 5.748 6.393 1.00 0.00 H new ATOM 0 HA VAL A 91 2.408 8.649 6.030 1.00 0.00 H new ATOM 0 HB VAL A 91 1.214 7.792 3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.448 7.653 2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.327 9.013 3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.177 7.524 4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.118 5.601 3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.791 5.388 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.028 5.469 4.510 1.00 0.00 H new ATOM 1243 N PRO A 92 -0.138 9.119 5.669 1.00 0.00 N ATOM 1244 CA PRO A 92 -1.544 9.483 5.861 1.00 0.00 C ATOM 1245 C PRO A 92 -2.484 8.635 5.011 1.00 0.00 C ATOM 1246 O PRO A 92 -3.696 8.854 5.000 1.00 0.00 O ATOM 1247 CB PRO A 92 -1.595 10.947 5.416 1.00 0.00 C ATOM 1248 CG PRO A 92 -0.459 11.093 4.464 1.00 0.00 C ATOM 1249 CD PRO A 92 0.616 10.163 4.956 1.00 0.00 C ATOM 0 HA PRO A 92 -1.869 9.324 6.889 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.546 11.182 4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.490 11.623 6.265 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.764 10.835 3.450 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.102 12.123 4.437 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.197 9.748 4.132 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.318 10.673 5.615 1.00 0.00 H new ATOM 1257 N HIS A 93 -1.918 7.666 4.298 1.00 0.00 N ATOM 1258 CA HIS A 93 -2.706 6.784 3.445 1.00 0.00 C ATOM 1259 C HIS A 93 -2.553 5.329 3.878 1.00 0.00 C ATOM 1260 O HIS A 93 -2.826 4.409 3.108 1.00 0.00 O ATOM 1261 CB HIS A 93 -2.283 6.941 1.984 1.00 0.00 C ATOM 1262 CG HIS A 93 -2.897 8.127 1.307 1.00 0.00 C ATOM 1263 ND1 HIS A 93 -3.956 8.028 0.430 1.00 0.00 N ATOM 1264 CD2 HIS A 93 -2.595 9.444 1.383 1.00 0.00 C ATOM 1265 CE1 HIS A 93 -4.278 9.233 -0.005 1.00 0.00 C ATOM 1266 NE2 HIS A 93 -3.468 10.110 0.558 1.00 0.00 N ATOM 0 H HIS A 93 -0.917 7.472 4.294 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.754 7.065 3.544 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.197 7.027 1.936 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.556 6.039 1.436 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -1.813 9.888 1.981 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -5.070 9.462 -0.703 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.487 11.118 0.405 1.00 0.00 H new ATOM 1275 N PHE A 94 -2.112 5.129 5.116 1.00 0.00 N ATOM 1276 CA PHE A 94 -1.920 3.786 5.652 1.00 0.00 C ATOM 1277 C PHE A 94 -1.898 3.807 7.177 1.00 0.00 C ATOM 1278 O PHE A 94 -1.535 4.802 7.804 1.00 0.00 O ATOM 1279 CB PHE A 94 -0.618 3.183 5.119 1.00 0.00 C ATOM 1280 CG PHE A 94 -0.595 3.032 3.625 1.00 0.00 C ATOM 1281 CD1 PHE A 94 -0.308 4.116 2.811 1.00 0.00 C ATOM 1282 CD2 PHE A 94 -0.858 1.807 3.035 1.00 0.00 C ATOM 1283 CE1 PHE A 94 -0.286 3.980 1.436 1.00 0.00 C ATOM 1284 CE2 PHE A 94 -0.837 1.664 1.660 1.00 0.00 C ATOM 1285 CZ PHE A 94 -0.550 2.752 0.860 1.00 0.00 C ATOM 0 H PHE A 94 -1.881 5.880 5.767 1.00 0.00 H new ATOM 0 HA PHE A 94 -2.758 3.169 5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.217 3.813 5.425 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.465 2.206 5.577 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.099 5.078 3.256 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.082 0.953 3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.063 4.833 0.812 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.045 0.703 1.213 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.532 2.643 -0.214 1.00 0.00 H new ATOM 1295 N PRO A 95 -2.296 2.682 7.789 1.00 0.00 N ATOM 1296 CA PRO A 95 -2.731 1.491 7.053 1.00 0.00 C ATOM 1297 C PRO A 95 -4.069 1.699 6.352 1.00 0.00 C ATOM 1298 O PRO A 95 -4.876 2.530 6.768 1.00 0.00 O ATOM 1299 CB PRO A 95 -2.860 0.426 8.145 1.00 0.00 C ATOM 1300 CG PRO A 95 -3.110 1.195 9.396 1.00 0.00 C ATOM 1301 CD PRO A 95 -2.353 2.486 9.248 1.00 0.00 C ATOM 0 HA PRO A 95 -2.033 1.225 6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.679 -0.262 7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.953 -0.173 8.223 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.175 1.381 9.533 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.768 0.640 10.270 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.864 3.311 9.745 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.356 2.420 9.684 1.00 0.00 H new ATOM 1309 N ALA A 96 -4.298 0.939 5.286 1.00 0.00 N ATOM 1310 CA ALA A 96 -5.540 1.039 4.529 1.00 0.00 C ATOM 1311 C ALA A 96 -6.094 -0.342 4.199 1.00 0.00 C ATOM 1312 O ALA A 96 -5.478 -1.108 3.457 1.00 0.00 O ATOM 1313 CB ALA A 96 -5.317 1.840 3.254 1.00 0.00 C ATOM 0 H ALA A 96 -3.640 0.247 4.927 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.273 1.557 5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.252 1.907 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.974 2.843 3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.565 1.345 2.640 1.00 0.00 H new ATOM 1319 N ARG A 97 -7.260 -0.655 4.754 1.00 0.00 N ATOM 1320 CA ARG A 97 -7.896 -1.946 4.520 1.00 0.00 C ATOM 1321 C ARG A 97 -8.553 -1.986 3.143 1.00 0.00 C ATOM 1322 O ARG A 97 -9.141 -1.001 2.695 1.00 0.00 O ATOM 1323 CB ARG A 97 -8.939 -2.229 5.603 1.00 0.00 C ATOM 1324 CG ARG A 97 -10.013 -1.158 5.709 1.00 0.00 C ATOM 1325 CD ARG A 97 -11.202 -1.471 4.814 1.00 0.00 C ATOM 1326 NE ARG A 97 -12.445 -0.918 5.342 1.00 0.00 N ATOM 1327 CZ ARG A 97 -13.505 -0.641 4.590 1.00 0.00 C ATOM 1328 NH1 ARG A 97 -13.471 -0.866 3.284 1.00 0.00 N ATOM 1329 NH2 ARG A 97 -14.601 -0.139 5.144 1.00 0.00 N ATOM 0 H ARG A 97 -7.784 -0.032 5.369 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.125 -2.715 4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.414 -3.188 5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.435 -2.323 6.565 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.346 -1.077 6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.593 -0.191 5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.021 -1.069 3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.302 -2.551 4.709 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.503 -0.734 6.344 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.630 -1.252 2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -14.286 -0.653 2.708 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.631 0.035 6.149 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.414 0.073 4.565 1.00 0.00 H new ATOM 1343 N VAL A 98 -8.449 -3.131 2.477 1.00 0.00 N ATOM 1344 CA VAL A 98 -9.033 -3.301 1.152 1.00 0.00 C ATOM 1345 C VAL A 98 -9.548 -4.722 0.956 1.00 0.00 C ATOM 1346 O VAL A 98 -8.820 -5.693 1.163 1.00 0.00 O ATOM 1347 CB VAL A 98 -8.013 -2.978 0.043 1.00 0.00 C ATOM 1348 CG1 VAL A 98 -8.658 -3.103 -1.329 1.00 0.00 C ATOM 1349 CG2 VAL A 98 -7.431 -1.588 0.244 1.00 0.00 C ATOM 0 H VAL A 98 -7.965 -3.955 2.833 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.867 -2.603 1.082 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.198 -3.700 0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.922 -2.871 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.021 -4.121 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.493 -2.406 -1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.713 -1.376 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.233 -0.850 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.930 -1.540 1.211 1.00 0.00 H new ATOM 1359 N LYS A 99 -10.810 -4.838 0.554 1.00 0.00 N ATOM 1360 CA LYS A 99 -11.424 -6.141 0.327 1.00 0.00 C ATOM 1361 C LYS A 99 -11.051 -6.686 -1.048 1.00 0.00 C ATOM 1362 O LYS A 99 -11.281 -6.036 -2.068 1.00 0.00 O ATOM 1363 CB LYS A 99 -12.946 -6.039 0.452 1.00 0.00 C ATOM 1364 CG LYS A 99 -13.615 -7.349 0.828 1.00 0.00 C ATOM 1365 CD LYS A 99 -15.087 -7.352 0.451 1.00 0.00 C ATOM 1366 CE LYS A 99 -15.930 -6.635 1.494 1.00 0.00 C ATOM 1367 NZ LYS A 99 -17.359 -6.542 1.084 1.00 0.00 N ATOM 0 H LYS A 99 -11.427 -4.045 0.379 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.049 -6.829 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.191 -5.287 1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.357 -5.690 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.109 -8.174 0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.513 -7.516 1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.217 -6.869 -0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.434 -8.380 0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.859 -7.164 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.533 -5.633 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -17.900 -6.047 1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -17.430 -6.016 0.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -17.746 -7.499 0.954 1.00 0.00 H new ATOM 1381 N VAL A 100 -10.476 -7.885 -1.068 1.00 0.00 N ATOM 1382 CA VAL A 100 -10.074 -8.519 -2.318 1.00 0.00 C ATOM 1383 C VAL A 100 -10.989 -9.690 -2.659 1.00 0.00 C ATOM 1384 O VAL A 100 -11.271 -10.536 -1.811 1.00 0.00 O ATOM 1385 CB VAL A 100 -8.620 -9.020 -2.251 1.00 0.00 C ATOM 1386 CG1 VAL A 100 -8.237 -9.723 -3.544 1.00 0.00 C ATOM 1387 CG2 VAL A 100 -7.672 -7.865 -1.962 1.00 0.00 C ATOM 0 H VAL A 100 -10.278 -8.436 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.153 -7.761 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.539 -9.740 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.206 -10.070 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.897 -10.575 -3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.333 -9.028 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.648 -8.237 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.754 -7.120 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.934 -7.410 -1.007 1.00 0.00 H new ATOM 1397 N GLU A 101 -11.447 -9.733 -3.906 1.00 0.00 N ATOM 1398 CA GLU A 101 -12.330 -10.802 -4.358 1.00 0.00 C ATOM 1399 C GLU A 101 -11.528 -11.951 -4.961 1.00 0.00 C ATOM 1400 O GLU A 101 -10.376 -11.793 -5.367 1.00 0.00 O ATOM 1401 CB GLU A 101 -13.329 -10.267 -5.387 1.00 0.00 C ATOM 1402 CG GLU A 101 -14.602 -9.715 -4.769 1.00 0.00 C ATOM 1403 CD GLU A 101 -15.575 -10.805 -4.366 1.00 0.00 C ATOM 1404 OE1 GLU A 101 -16.284 -11.327 -5.252 1.00 0.00 O ATOM 1405 OE2 GLU A 101 -15.628 -11.138 -3.163 1.00 0.00 O ATOM 0 H GLU A 101 -11.222 -9.041 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.876 -11.178 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.850 -9.483 -5.973 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.589 -11.068 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.347 -9.119 -3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.086 -9.046 -5.480 1.00 0.00 H new ATOM 1412 N PRO A 102 -12.150 -13.138 -5.022 1.00 0.00 N ATOM 1413 CA PRO A 102 -11.514 -14.338 -5.573 1.00 0.00 C ATOM 1414 C PRO A 102 -11.323 -14.251 -7.083 1.00 0.00 C ATOM 1415 O PRO A 102 -11.978 -13.456 -7.756 1.00 0.00 O ATOM 1416 CB PRO A 102 -12.499 -15.456 -5.222 1.00 0.00 C ATOM 1417 CG PRO A 102 -13.817 -14.772 -5.096 1.00 0.00 C ATOM 1418 CD PRO A 102 -13.522 -13.400 -4.557 1.00 0.00 C ATOM 0 HA PRO A 102 -10.514 -14.491 -5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.522 -16.221 -5.998 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -12.220 -15.953 -4.293 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -14.319 -14.712 -6.061 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -14.479 -15.321 -4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -14.224 -12.659 -4.939 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -13.590 -13.372 -3.469 1.00 0.00 H new ATOM 1426 N ALA A 103 -10.422 -15.074 -7.610 1.00 0.00 N ATOM 1427 CA ALA A 103 -10.147 -15.092 -9.041 1.00 0.00 C ATOM 1428 C ALA A 103 -10.944 -16.188 -9.740 1.00 0.00 C ATOM 1429 O ALA A 103 -10.445 -16.848 -10.651 1.00 0.00 O ATOM 1430 CB ALA A 103 -8.658 -15.279 -9.290 1.00 0.00 C ATOM 0 H ALA A 103 -9.870 -15.737 -7.066 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.456 -14.133 -9.457 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.467 -15.291 -10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.107 -14.458 -8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.332 -16.223 -8.853 1.00 0.00 H new