USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 787 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 Set 1.1: A 8 HIS : no HD1:sc= -3.05! C(o=-3.1!,f=-18!) USER MOD Set 1.2: A 9 SER OG : rot -69:sc= 0.709 USER MOD Set 1.3: A 107 LYS NZ :NH3+ -150:sc= -0.803 (180deg=-0.914) USER MOD Set 2.1: A 19 THR OG1 : rot -43:sc= 0.00378 USER MOD Set 2.2: A 77 THR OG1 : rot -19:sc= 0.331 USER MOD Set 3.1: A 53 ASN : amide:sc= -6.16! K(o=-19!,f=-2.7) USER MOD Set 3.2: A 54 GLN : amide:sc= -12.5! K(o=-19!,f=-2.7) USER MOD Set 4.1: A 35 GLN : amide:sc= -3.07! C(o=-2.5!,f=-1.1!) USER MOD Set 4.2: A 50 TYR OH : rot -46:sc= 0.0183 USER MOD Set 4.3: A 94 TYR OH : rot -15:sc= 0.528 USER MOD Set 5.1: A 31 SER OG : rot -106:sc= -0.51 USER MOD Set 5.2: A 32 ASN : amide:sc= -3.97! C(o=-4.5!,f=-6.4!) USER MOD Single : A 1 ASN : amide:sc= -5.92! K(o=-5.9!,f=-0.34) USER MOD Single : A 1 ASN N :NH3+ 132:sc= -2.64! (180deg=-3.86!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -11.3! C(o=-11!,f=-9.6!) USER MOD Single : A 11 SER OG : rot -5:sc= 0.443! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.64 USER MOD Single : A 25 SER OG : rot -49:sc= 0.264 USER MOD Single : A 26 SER OG : rot 132:sc= 1.28 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.345 USER MOD Single : A 38 GLN : amide:sc= -2.16 K(o=-2.2,f=-7.3!) USER MOD Single : A 39 GLN : amide:sc= -0.842 K(o=-0.84,f=-0.23) USER MOD Single : A 43 SER OG : rot 180:sc=-0.00129 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -81:sc= 0.415 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -41:sc= 0.996 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.597 USER MOD Single : A 72 ASN : amide:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 89 TYR OH : rot -39:sc= 0.347 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.38 K(o=-0.38,f=-1.5!) USER MOD Single : A 93 SER OG : rot -90:sc= -0.866 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -6.16! C(o=-6.2!,f=-6.4!) USER MOD Single : A 99 HIS : no HD1:sc= -0.185 X(o=-0.19,f=-0.32) USER MOD Single : A 106 THR OG1 : rot -60:sc= 0.579 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 81.700 19.677 11.031 1.00 0.00 N ATOM 2 CA ASN A 1 82.586 18.528 11.370 1.00 0.00 C ATOM 3 C ASN A 1 82.053 17.270 10.691 1.00 0.00 C ATOM 4 O ASN A 1 82.368 16.152 11.099 1.00 0.00 O ATOM 5 CB ASN A 1 82.615 18.351 12.890 1.00 0.00 C ATOM 6 CG ASN A 1 81.274 17.817 13.381 1.00 0.00 C ATOM 7 OD1 ASN A 1 81.187 17.277 14.483 1.00 0.00 O ATOM 8 ND2 ASN A 1 80.228 17.901 12.606 1.00 0.00 N ATOM 0 H1 ASN A 1 81.462 20.199 11.898 1.00 0.00 H new ATOM 0 H2 ASN A 1 82.191 20.311 10.369 1.00 0.00 H new ATOM 0 H3 ASN A 1 80.827 19.324 10.589 1.00 0.00 H new ATOM 0 HA ASN A 1 83.601 18.713 11.018 1.00 0.00 H new ATOM 0 HB2 ASN A 1 83.413 17.663 13.169 1.00 0.00 H new ATOM 0 HB3 ASN A 1 82.834 19.304 13.371 1.00 0.00 H new ATOM 0 HD21 ASN A 1 79.334 17.518 12.913 1.00 0.00 H new ATOM 0 HD22 ASN A 1 80.304 18.350 11.693 1.00 0.00 H new ATOM 17 N PHE A 2 81.321 17.461 9.599 1.00 0.00 N ATOM 18 CA PHE A 2 80.722 16.337 8.892 1.00 0.00 C ATOM 19 C PHE A 2 81.794 15.562 8.134 1.00 0.00 C ATOM 20 O PHE A 2 82.294 16.016 7.104 1.00 0.00 O ATOM 21 CB PHE A 2 79.676 16.838 7.894 1.00 0.00 C ATOM 22 CG PHE A 2 78.488 17.396 8.639 1.00 0.00 C ATOM 23 CD1 PHE A 2 78.512 18.717 9.100 1.00 0.00 C ATOM 24 CD2 PHE A 2 77.369 16.591 8.881 1.00 0.00 C ATOM 25 CE1 PHE A 2 77.420 19.230 9.809 1.00 0.00 C ATOM 26 CE2 PHE A 2 76.266 17.113 9.567 1.00 0.00 C ATOM 27 CZ PHE A 2 76.278 18.444 10.002 1.00 0.00 C ATOM 0 H PHE A 2 81.130 18.375 9.188 1.00 0.00 H new ATOM 0 HA PHE A 2 80.247 15.685 9.625 1.00 0.00 H new ATOM 0 HB2 PHE A 2 80.109 17.606 7.253 1.00 0.00 H new ATOM 0 HB3 PHE A 2 79.359 16.022 7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 2 79.373 19.340 8.909 1.00 0.00 H new ATOM 0 HD2 PHE A 2 77.356 15.567 8.538 1.00 0.00 H new ATOM 0 HE1 PHE A 2 77.458 20.233 10.208 1.00 0.00 H new ATOM 0 HE2 PHE A 2 75.406 16.489 9.761 1.00 0.00 H new ATOM 0 HZ PHE A 2 75.408 18.863 10.485 1.00 0.00 H new ATOM 37 N MET A 3 82.177 14.409 8.677 1.00 0.00 N ATOM 38 CA MET A 3 83.212 13.584 8.062 1.00 0.00 C ATOM 39 C MET A 3 82.795 12.121 8.113 1.00 0.00 C ATOM 40 O MET A 3 81.799 11.780 8.751 1.00 0.00 O ATOM 41 CB MET A 3 84.535 13.761 8.810 1.00 0.00 C ATOM 42 CG MET A 3 85.052 15.182 8.583 1.00 0.00 C ATOM 43 SD MET A 3 86.566 15.432 9.544 1.00 0.00 S ATOM 44 CE MET A 3 85.782 15.979 11.082 1.00 0.00 C ATOM 0 H MET A 3 81.787 14.026 9.539 1.00 0.00 H new ATOM 0 HA MET A 3 83.342 13.892 7.025 1.00 0.00 H new ATOM 0 HB2 MET A 3 84.392 13.579 9.875 1.00 0.00 H new ATOM 0 HB3 MET A 3 85.267 13.034 8.457 1.00 0.00 H new ATOM 0 HG2 MET A 3 85.250 15.344 7.523 1.00 0.00 H new ATOM 0 HG3 MET A 3 84.295 15.908 8.880 1.00 0.00 H new ATOM 0 HE1 MET A 3 86.550 16.191 11.826 1.00 0.00 H new ATOM 0 HE2 MET A 3 85.201 16.881 10.893 1.00 0.00 H new ATOM 0 HE3 MET A 3 85.123 15.194 11.454 1.00 0.00 H new ATOM 54 N LEU A 4 83.533 11.265 7.410 1.00 0.00 N ATOM 55 CA LEU A 4 83.237 9.841 7.408 1.00 0.00 C ATOM 56 C LEU A 4 84.493 9.068 7.783 1.00 0.00 C ATOM 57 O LEU A 4 85.452 9.018 7.013 1.00 0.00 O ATOM 58 CB LEU A 4 82.746 9.423 6.018 1.00 0.00 C ATOM 59 CG LEU A 4 81.393 8.709 6.114 1.00 0.00 C ATOM 60 CD1 LEU A 4 80.633 8.746 4.785 1.00 0.00 C ATOM 61 CD2 LEU A 4 81.634 7.263 6.551 1.00 0.00 C ATOM 0 H LEU A 4 84.334 11.534 6.839 1.00 0.00 H new ATOM 0 HA LEU A 4 82.455 9.622 8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 4 82.655 10.302 5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 4 83.478 8.764 5.551 1.00 0.00 H new ATOM 0 HG LEU A 4 80.775 9.227 6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 4 79.680 8.229 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 4 80.453 9.782 4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 4 81.225 8.253 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 4 80.680 6.741 6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 4 82.266 6.762 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 4 82.128 7.254 7.523 1.00 0.00 H new ATOM 73 N THR A 5 84.410 8.334 8.886 1.00 0.00 N ATOM 74 CA THR A 5 85.557 7.561 9.336 1.00 0.00 C ATOM 75 C THR A 5 85.571 6.205 8.639 1.00 0.00 C ATOM 76 O THR A 5 84.599 5.453 8.711 1.00 0.00 O ATOM 77 CB THR A 5 85.486 7.364 10.853 1.00 0.00 C ATOM 78 OG1 THR A 5 84.956 8.537 11.451 1.00 0.00 O ATOM 79 CG2 THR A 5 86.886 7.103 11.412 1.00 0.00 C ATOM 0 H THR A 5 83.579 8.259 9.473 1.00 0.00 H new ATOM 0 HA THR A 5 86.471 8.100 9.088 1.00 0.00 H new ATOM 0 HB THR A 5 84.846 6.510 11.075 1.00 0.00 H new ATOM 0 HG1 THR A 5 84.907 8.415 12.422 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.827 6.964 12.491 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.300 6.205 10.953 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.531 7.954 11.191 1.00 0.00 H new ATOM 87 N GLN A 6 86.644 5.924 7.906 1.00 0.00 N ATOM 88 CA GLN A 6 86.783 4.641 7.227 1.00 0.00 C ATOM 89 C GLN A 6 88.250 4.215 7.213 1.00 0.00 C ATOM 90 O GLN A 6 89.120 5.058 6.992 1.00 0.00 O ATOM 91 CB GLN A 6 86.257 4.773 5.794 1.00 0.00 C ATOM 92 CG GLN A 6 85.941 3.394 5.210 1.00 0.00 C ATOM 93 CD GLN A 6 85.324 3.543 3.824 1.00 0.00 C ATOM 94 OE1 GLN A 6 85.654 4.473 3.088 1.00 0.00 O ATOM 95 NE2 GLN A 6 84.477 2.647 3.400 1.00 0.00 N ATOM 0 H GLN A 6 87.426 6.564 7.768 1.00 0.00 H new ATOM 0 HA GLN A 6 86.207 3.882 7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 6 85.360 5.392 5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 6 86.998 5.276 5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 6 86.852 2.798 5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 6 85.254 2.860 5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 6 84.203 1.876 4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 6 84.089 2.717 2.459 1.00 0.00 H new ATOM 104 N PRO A 7 88.571 2.956 7.376 1.00 0.00 N ATOM 105 CA PRO A 7 89.996 2.527 7.470 1.00 0.00 C ATOM 106 C PRO A 7 90.828 3.069 6.311 1.00 0.00 C ATOM 107 O PRO A 7 90.278 3.484 5.292 1.00 0.00 O ATOM 108 CB PRO A 7 89.941 0.992 7.460 1.00 0.00 C ATOM 109 CG PRO A 7 88.494 0.607 7.440 1.00 0.00 C ATOM 110 CD PRO A 7 87.687 1.856 7.799 1.00 0.00 C ATOM 0 HA PRO A 7 90.479 2.913 8.368 1.00 0.00 H new ATOM 0 HB2 PRO A 7 90.458 0.593 6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 7 90.437 0.582 8.340 1.00 0.00 H new ATOM 0 HG2 PRO A 7 88.209 0.235 6.456 1.00 0.00 H new ATOM 0 HG3 PRO A 7 88.300 -0.194 8.153 1.00 0.00 H new ATOM 0 HD2 PRO A 7 86.731 1.883 7.276 1.00 0.00 H new ATOM 0 HD3 PRO A 7 87.468 1.902 8.866 1.00 0.00 H new ATOM 118 N HIS A 8 92.146 3.094 6.485 1.00 0.00 N ATOM 119 CA HIS A 8 93.033 3.605 5.444 1.00 0.00 C ATOM 120 C HIS A 8 93.279 2.531 4.388 1.00 0.00 C ATOM 121 O HIS A 8 93.088 2.770 3.195 1.00 0.00 O ATOM 122 CB HIS A 8 94.352 4.061 6.077 1.00 0.00 C ATOM 123 CG HIS A 8 95.431 4.190 5.036 1.00 0.00 C ATOM 124 ND1 HIS A 8 96.035 3.082 4.467 1.00 0.00 N ATOM 125 CD2 HIS A 8 95.948 5.278 4.374 1.00 0.00 C ATOM 126 CE1 HIS A 8 96.890 3.519 3.527 1.00 0.00 C ATOM 127 NE2 HIS A 8 96.919 4.853 3.469 1.00 0.00 N ATOM 0 H HIS A 8 92.620 2.770 7.328 1.00 0.00 H new ATOM 0 HA HIS A 8 92.565 4.459 4.954 1.00 0.00 H new ATOM 0 HB2 HIS A 8 94.208 5.018 6.578 1.00 0.00 H new ATOM 0 HB3 HIS A 8 94.660 3.346 6.840 1.00 0.00 H new ATOM 0 HD2 HIS A 8 95.648 6.304 4.531 1.00 0.00 H new ATOM 0 HE1 HIS A 8 97.481 2.871 2.896 1.00 0.00 H new ATOM 0 HE2 HIS A 8 97.522 5.435 2.888 1.00 0.00 H new ATOM 135 N SER A 9 93.776 1.376 4.820 1.00 0.00 N ATOM 136 CA SER A 9 94.075 0.287 3.897 1.00 0.00 C ATOM 137 C SER A 9 94.060 -1.048 4.633 1.00 0.00 C ATOM 138 O SER A 9 94.296 -1.106 5.839 1.00 0.00 O ATOM 139 CB SER A 9 95.443 0.503 3.247 1.00 0.00 C ATOM 140 OG SER A 9 96.433 0.639 4.256 1.00 0.00 O ATOM 0 H SER A 9 93.979 1.171 5.798 1.00 0.00 H new ATOM 0 HA SER A 9 93.311 0.273 3.120 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.685 -0.338 2.597 1.00 0.00 H new ATOM 0 HB3 SER A 9 95.423 1.395 2.621 1.00 0.00 H new ATOM 0 HG SER A 9 96.297 1.483 4.736 1.00 0.00 H new ATOM 146 N VAL A 10 93.713 -2.107 3.911 1.00 0.00 N ATOM 147 CA VAL A 10 93.672 -3.439 4.501 1.00 0.00 C ATOM 148 C VAL A 10 93.726 -4.503 3.410 1.00 0.00 C ATOM 149 O VAL A 10 93.263 -4.277 2.293 1.00 0.00 O ATOM 150 CB VAL A 10 92.391 -3.596 5.326 1.00 0.00 C ATOM 151 CG1 VAL A 10 91.161 -3.254 4.473 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.300 -5.030 5.857 1.00 0.00 C ATOM 0 H VAL A 10 93.458 -2.070 2.924 1.00 0.00 H new ATOM 0 HA VAL A 10 94.537 -3.566 5.152 1.00 0.00 H new ATOM 0 HB VAL A 10 92.418 -2.906 6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 10 90.258 -3.370 5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 10 91.235 -2.224 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 10 91.115 -3.925 3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.389 -5.143 6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.281 -5.728 5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.165 -5.241 6.485 1.00 0.00 H new ATOM 162 N SER A 11 94.302 -5.658 3.727 1.00 0.00 N ATOM 163 CA SER A 11 94.376 -6.760 2.774 1.00 0.00 C ATOM 164 C SER A 11 93.662 -7.985 3.334 1.00 0.00 C ATOM 165 O SER A 11 93.933 -8.408 4.457 1.00 0.00 O ATOM 166 CB SER A 11 95.838 -7.101 2.479 1.00 0.00 C ATOM 167 OG SER A 11 96.346 -7.946 3.501 1.00 0.00 O ATOM 0 H SER A 11 94.724 -5.855 4.635 1.00 0.00 H new ATOM 0 HA SER A 11 93.888 -6.457 1.848 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.918 -7.596 1.511 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.430 -6.188 2.420 1.00 0.00 H new ATOM 0 HG SER A 11 95.673 -8.049 4.206 1.00 0.00 H new ATOM 173 N GLU A 12 92.899 -8.659 2.478 1.00 0.00 N ATOM 174 CA GLU A 12 92.164 -9.854 2.880 1.00 0.00 C ATOM 175 C GLU A 12 92.673 -11.053 2.094 1.00 0.00 C ATOM 176 O GLU A 12 93.207 -10.912 0.995 1.00 0.00 O ATOM 177 CB GLU A 12 90.667 -9.673 2.607 1.00 0.00 C ATOM 178 CG GLU A 12 90.005 -8.899 3.753 1.00 0.00 C ATOM 179 CD GLU A 12 89.494 -9.851 4.829 1.00 0.00 C ATOM 180 OE1 GLU A 12 88.842 -10.820 4.473 1.00 0.00 O ATOM 181 OE2 GLU A 12 89.814 -9.631 5.986 1.00 0.00 O ATOM 0 H GLU A 12 92.774 -8.397 1.500 1.00 0.00 H new ATOM 0 HA GLU A 12 92.316 -10.018 3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.524 -9.138 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 12 90.191 -10.647 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 12 90.722 -8.203 4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 12 89.178 -8.304 3.365 1.00 0.00 H new ATOM 188 N SER A 13 92.492 -12.235 2.672 1.00 0.00 N ATOM 189 CA SER A 13 92.991 -13.454 2.048 1.00 0.00 C ATOM 190 C SER A 13 91.997 -13.947 0.996 1.00 0.00 C ATOM 191 O SER A 13 90.802 -14.036 1.283 1.00 0.00 O ATOM 192 CB SER A 13 93.210 -14.542 3.100 1.00 0.00 C ATOM 193 OG SER A 13 93.850 -13.976 4.233 1.00 0.00 O ATOM 0 H SER A 13 92.010 -12.375 3.560 1.00 0.00 H new ATOM 0 HA SER A 13 93.944 -13.232 1.568 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.256 -14.982 3.389 1.00 0.00 H new ATOM 0 HB3 SER A 13 93.820 -15.346 2.687 1.00 0.00 H new ATOM 0 HG SER A 13 93.990 -14.670 4.910 1.00 0.00 H new ATOM 199 N PRO A 14 92.429 -14.281 -0.194 1.00 0.00 N ATOM 200 CA PRO A 14 91.503 -14.778 -1.252 1.00 0.00 C ATOM 201 C PRO A 14 90.725 -16.000 -0.769 1.00 0.00 C ATOM 202 O PRO A 14 91.299 -17.076 -0.605 1.00 0.00 O ATOM 203 CB PRO A 14 92.399 -15.125 -2.450 1.00 0.00 C ATOM 204 CG PRO A 14 93.816 -14.824 -2.068 1.00 0.00 C ATOM 205 CD PRO A 14 93.821 -14.200 -0.670 1.00 0.00 C ATOM 0 HA PRO A 14 90.754 -14.031 -1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 14 92.291 -16.177 -2.715 1.00 0.00 H new ATOM 0 HB3 PRO A 14 92.108 -14.544 -3.325 1.00 0.00 H new ATOM 0 HG2 PRO A 14 94.413 -15.736 -2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 14 94.266 -14.141 -2.789 1.00 0.00 H new ATOM 0 HD2 PRO A 14 94.495 -14.738 -0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 14 94.164 -13.166 -0.704 1.00 0.00 H new ATOM 213 N GLY A 15 89.404 -15.871 -0.680 1.00 0.00 N ATOM 214 CA GLY A 15 88.548 -16.989 -0.292 1.00 0.00 C ATOM 215 C GLY A 15 87.826 -16.707 1.022 1.00 0.00 C ATOM 216 O GLY A 15 87.186 -17.596 1.582 1.00 0.00 O ATOM 0 H GLY A 15 88.903 -15.004 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 15 87.816 -17.179 -1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 15 89.150 -17.892 -0.192 1.00 0.00 H new ATOM 220 N LYS A 16 88.107 -15.549 1.613 1.00 0.00 N ATOM 221 CA LYS A 16 87.505 -15.165 2.888 1.00 0.00 C ATOM 222 C LYS A 16 86.372 -14.164 2.685 1.00 0.00 C ATOM 223 O LYS A 16 85.908 -13.947 1.566 1.00 0.00 O ATOM 224 CB LYS A 16 88.586 -14.567 3.796 1.00 0.00 C ATOM 225 CG LYS A 16 89.258 -15.663 4.631 1.00 0.00 C ATOM 226 CD LYS A 16 90.260 -15.050 5.615 1.00 0.00 C ATOM 227 CE LYS A 16 89.551 -14.609 6.899 1.00 0.00 C ATOM 228 NZ LYS A 16 90.416 -13.651 7.644 1.00 0.00 N ATOM 0 H LYS A 16 88.750 -14.857 1.228 1.00 0.00 H new ATOM 0 HA LYS A 16 87.081 -16.053 3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 16 89.333 -14.054 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 16 88.143 -13.821 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.502 -16.227 5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.769 -16.367 3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 16 91.036 -15.777 5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 16 90.755 -14.195 5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 16 88.597 -14.141 6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 16 89.332 -15.476 7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 89.933 -13.353 8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 91.316 -14.113 7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 90.604 -12.818 7.050 1.00 0.00 H new ATOM 242 N THR A 17 85.878 -13.627 3.798 1.00 0.00 N ATOM 243 CA THR A 17 84.789 -12.656 3.785 1.00 0.00 C ATOM 244 C THR A 17 85.197 -11.397 4.542 1.00 0.00 C ATOM 245 O THR A 17 86.015 -11.449 5.461 1.00 0.00 O ATOM 246 CB THR A 17 83.552 -13.266 4.446 1.00 0.00 C ATOM 247 OG1 THR A 17 83.865 -13.653 5.775 1.00 0.00 O ATOM 248 CG2 THR A 17 83.116 -14.494 3.645 1.00 0.00 C ATOM 0 H THR A 17 86.221 -13.853 4.732 1.00 0.00 H new ATOM 0 HA THR A 17 84.563 -12.393 2.752 1.00 0.00 H new ATOM 0 HB THR A 17 82.746 -12.533 4.467 1.00 0.00 H new ATOM 0 HG1 THR A 17 83.071 -14.042 6.198 1.00 0.00 H new ATOM 0 HG21 THR A 17 82.234 -14.936 4.108 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.879 -14.197 2.624 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.924 -15.225 3.631 1.00 0.00 H new ATOM 256 N VAL A 18 84.698 -10.251 4.089 1.00 0.00 N ATOM 257 CA VAL A 18 85.032 -8.974 4.711 1.00 0.00 C ATOM 258 C VAL A 18 83.832 -8.033 4.701 1.00 0.00 C ATOM 259 O VAL A 18 82.976 -8.114 3.820 1.00 0.00 O ATOM 260 CB VAL A 18 86.205 -8.335 3.967 1.00 0.00 C ATOM 261 CG1 VAL A 18 85.823 -8.065 2.510 1.00 0.00 C ATOM 262 CG2 VAL A 18 86.590 -7.023 4.653 1.00 0.00 C ATOM 0 H VAL A 18 84.062 -10.180 3.295 1.00 0.00 H new ATOM 0 HA VAL A 18 85.313 -9.154 5.749 1.00 0.00 H new ATOM 0 HB VAL A 18 87.054 -9.019 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.667 -7.610 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.561 -9.004 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.969 -7.388 2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 18 87.426 -6.567 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 18 85.738 -6.343 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 18 86.880 -7.223 5.684 1.00 0.00 H new ATOM 272 N THR A 19 83.771 -7.149 5.692 1.00 0.00 N ATOM 273 CA THR A 19 82.697 -6.163 5.784 1.00 0.00 C ATOM 274 C THR A 19 83.306 -4.767 5.904 1.00 0.00 C ATOM 275 O THR A 19 84.226 -4.556 6.694 1.00 0.00 O ATOM 276 CB THR A 19 81.826 -6.511 7.000 1.00 0.00 C ATOM 277 OG1 THR A 19 80.476 -6.149 6.758 1.00 0.00 O ATOM 278 CG2 THR A 19 82.301 -5.803 8.272 1.00 0.00 C ATOM 0 H THR A 19 84.455 -7.095 6.446 1.00 0.00 H new ATOM 0 HA THR A 19 82.071 -6.176 4.892 1.00 0.00 H new ATOM 0 HB THR A 19 81.911 -7.587 7.150 1.00 0.00 H new ATOM 0 HG1 THR A 19 80.445 -5.265 6.336 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.655 -6.080 9.105 1.00 0.00 H new ATOM 0 HG22 THR A 19 83.326 -6.101 8.493 1.00 0.00 H new ATOM 0 HG23 THR A 19 82.261 -4.724 8.124 1.00 0.00 H new ATOM 286 N ILE A 20 82.747 -3.796 5.187 1.00 0.00 N ATOM 287 CA ILE A 20 83.243 -2.424 5.257 1.00 0.00 C ATOM 288 C ILE A 20 82.443 -1.622 6.278 1.00 0.00 C ATOM 289 O ILE A 20 81.296 -1.956 6.575 1.00 0.00 O ATOM 290 CB ILE A 20 83.120 -1.736 3.895 1.00 0.00 C ATOM 291 CG1 ILE A 20 83.859 -2.534 2.816 1.00 0.00 C ATOM 292 CG2 ILE A 20 83.695 -0.320 3.984 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.321 -2.771 3.204 1.00 0.00 C ATOM 0 H ILE A 20 81.957 -3.931 4.556 1.00 0.00 H new ATOM 0 HA ILE A 20 84.291 -2.464 5.554 1.00 0.00 H new ATOM 0 HB ILE A 20 82.066 -1.685 3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 20 83.361 -3.492 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 20 83.814 -1.997 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 20 83.607 0.170 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.142 0.251 4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 20 84.745 -0.371 4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 20 85.818 -3.340 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 20 85.824 -1.812 3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 20 85.363 -3.330 4.139 1.00 0.00 H new ATOM 305 N SER A 21 83.092 -0.634 6.888 1.00 0.00 N ATOM 306 CA SER A 21 82.450 0.233 7.873 1.00 0.00 C ATOM 307 C SER A 21 82.614 1.703 7.491 1.00 0.00 C ATOM 308 O SER A 21 83.701 2.259 7.648 1.00 0.00 O ATOM 309 CB SER A 21 83.067 -0.039 9.249 1.00 0.00 C ATOM 310 OG SER A 21 83.317 -1.431 9.389 1.00 0.00 O ATOM 0 H SER A 21 84.072 -0.412 6.715 1.00 0.00 H new ATOM 0 HA SER A 21 81.382 0.018 7.903 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.995 0.521 9.360 1.00 0.00 H new ATOM 0 HB3 SER A 21 82.393 0.301 10.035 1.00 0.00 H new ATOM 0 HG SER A 21 83.713 -1.605 10.268 1.00 0.00 H new ATOM 316 N CYS A 22 81.501 2.371 7.189 1.00 0.00 N ATOM 317 CA CYS A 22 81.487 3.800 6.871 1.00 0.00 C ATOM 318 C CYS A 22 80.613 4.487 7.927 1.00 0.00 C ATOM 319 O CYS A 22 79.480 4.060 8.155 1.00 0.00 O ATOM 320 CB CYS A 22 80.942 4.045 5.445 1.00 0.00 C ATOM 321 SG CYS A 22 82.138 3.659 4.125 1.00 0.00 S ATOM 0 H CYS A 22 80.579 1.935 7.158 1.00 0.00 H new ATOM 0 HA CYS A 22 82.497 4.209 6.889 1.00 0.00 H new ATOM 0 HB2 CYS A 22 80.047 3.441 5.299 1.00 0.00 H new ATOM 0 HB3 CYS A 22 80.640 5.089 5.356 1.00 0.00 H new ATOM 326 N THR A 23 81.212 5.333 8.769 1.00 0.00 N ATOM 327 CA THR A 23 80.470 6.043 9.811 1.00 0.00 C ATOM 328 C THR A 23 80.484 7.528 9.479 1.00 0.00 C ATOM 329 O THR A 23 81.568 8.104 9.429 1.00 0.00 O ATOM 330 CB THR A 23 81.114 5.866 11.190 1.00 0.00 C ATOM 331 OG1 THR A 23 81.056 4.498 11.565 1.00 0.00 O ATOM 332 CG2 THR A 23 80.381 6.707 12.244 1.00 0.00 C ATOM 0 H THR A 23 82.210 5.542 8.748 1.00 0.00 H new ATOM 0 HA THR A 23 79.459 5.638 9.844 1.00 0.00 H new ATOM 0 HB THR A 23 82.151 6.197 11.134 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.469 4.383 12.446 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.855 6.566 13.216 1.00 0.00 H new ATOM 0 HG22 THR A 23 80.428 7.760 11.966 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.339 6.393 12.300 1.00 0.00 H new ATOM 340 N ARG A 24 79.360 8.192 9.723 1.00 0.00 N ATOM 341 CA ARG A 24 79.343 9.647 9.639 1.00 0.00 C ATOM 342 C ARG A 24 79.698 10.261 10.989 1.00 0.00 C ATOM 343 O ARG A 24 79.074 9.955 12.004 1.00 0.00 O ATOM 344 CB ARG A 24 77.970 10.139 9.173 1.00 0.00 C ATOM 345 CG ARG A 24 77.765 9.808 7.691 1.00 0.00 C ATOM 346 CD ARG A 24 76.598 10.622 7.126 1.00 0.00 C ATOM 347 NE ARG A 24 76.871 12.046 7.263 1.00 0.00 N ATOM 348 CZ ARG A 24 77.872 12.617 6.600 1.00 0.00 C ATOM 349 NH1 ARG A 24 78.284 12.100 5.475 1.00 0.00 N ATOM 350 NH2 ARG A 24 78.501 13.634 7.122 1.00 0.00 N ATOM 0 H ARG A 24 78.471 7.760 9.974 1.00 0.00 H new ATOM 0 HA ARG A 24 80.089 9.961 8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 24 77.186 9.672 9.769 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.889 11.215 9.327 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.675 10.027 7.132 1.00 0.00 H new ATOM 0 HG3 ARG A 24 77.566 8.743 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 24 76.444 10.372 6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 24 75.678 10.367 7.652 1.00 0.00 H new ATOM 0 HE ARG A 24 76.286 12.613 7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.838 11.260 5.106 1.00 0.00 H new ATOM 0 HH12 ARG A 24 79.052 12.536 4.964 1.00 0.00 H new ATOM 0 HH21 ARG A 24 78.225 13.990 8.037 1.00 0.00 H new ATOM 0 HH22 ARG A 24 79.269 14.073 6.615 1.00 0.00 H new ATOM 364 N SER A 25 80.532 11.295 10.948 1.00 0.00 N ATOM 365 CA SER A 25 80.909 12.032 12.149 1.00 0.00 C ATOM 366 C SER A 25 79.680 12.657 12.799 1.00 0.00 C ATOM 367 O SER A 25 79.802 13.570 13.615 1.00 0.00 O ATOM 368 CB SER A 25 81.940 13.111 11.816 1.00 0.00 C ATOM 369 OG SER A 25 82.588 13.530 13.009 1.00 0.00 O ATOM 0 H SER A 25 80.962 11.643 10.091 1.00 0.00 H new ATOM 0 HA SER A 25 81.357 11.332 12.854 1.00 0.00 H new ATOM 0 HB2 SER A 25 82.673 12.723 11.108 1.00 0.00 H new ATOM 0 HB3 SER A 25 81.452 13.960 11.337 1.00 0.00 H new ATOM 0 HG SER A 25 81.916 13.731 13.693 1.00 0.00 H new ATOM 375 N SER A 26 78.528 12.382 12.197 1.00 0.00 N ATOM 376 CA SER A 26 77.269 12.982 12.622 1.00 0.00 C ATOM 377 C SER A 26 76.467 11.965 13.430 1.00 0.00 C ATOM 378 O SER A 26 75.471 12.306 14.069 1.00 0.00 O ATOM 379 CB SER A 26 76.499 13.446 11.382 1.00 0.00 C ATOM 380 OG SER A 26 76.076 14.789 11.561 1.00 0.00 O ATOM 0 H SER A 26 78.441 11.742 11.407 1.00 0.00 H new ATOM 0 HA SER A 26 77.453 13.846 13.260 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.132 13.368 10.498 1.00 0.00 H new ATOM 0 HB3 SER A 26 75.636 12.801 11.215 1.00 0.00 H new ATOM 0 HG SER A 26 76.297 15.311 10.762 1.00 0.00 H new ATOM 386 N GLY A 27 76.848 10.697 13.303 1.00 0.00 N ATOM 387 CA GLY A 27 76.149 9.619 13.993 1.00 0.00 C ATOM 388 C GLY A 27 74.837 9.279 13.295 1.00 0.00 C ATOM 389 O GLY A 27 73.930 8.712 13.905 1.00 0.00 O ATOM 0 H GLY A 27 77.635 10.392 12.730 1.00 0.00 H new ATOM 0 HA2 GLY A 27 76.785 8.734 14.030 1.00 0.00 H new ATOM 0 HA3 GLY A 27 75.951 9.912 15.024 1.00 0.00 H new ATOM 393 N SER A 28 74.747 9.612 12.010 1.00 0.00 N ATOM 394 CA SER A 28 73.530 9.388 11.234 1.00 0.00 C ATOM 395 C SER A 28 73.831 8.584 9.973 1.00 0.00 C ATOM 396 O SER A 28 74.626 9.009 9.137 1.00 0.00 O ATOM 397 CB SER A 28 72.922 10.732 10.828 1.00 0.00 C ATOM 398 OG SER A 28 72.939 11.614 11.939 1.00 0.00 O ATOM 0 H SER A 28 75.507 10.040 11.481 1.00 0.00 H new ATOM 0 HA SER A 28 72.829 8.829 11.855 1.00 0.00 H new ATOM 0 HB2 SER A 28 73.485 11.162 10.000 1.00 0.00 H new ATOM 0 HB3 SER A 28 71.899 10.590 10.479 1.00 0.00 H new ATOM 0 HG SER A 28 72.551 12.476 11.679 1.00 0.00 H new ATOM 404 N ILE A 29 73.354 7.344 9.929 1.00 0.00 N ATOM 405 CA ILE A 29 73.640 6.444 8.815 1.00 0.00 C ATOM 406 C ILE A 29 72.389 5.708 8.354 1.00 0.00 C ATOM 407 O ILE A 29 71.915 5.910 7.237 1.00 0.00 O ATOM 408 CB ILE A 29 74.672 5.396 9.237 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.337 4.848 10.637 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.086 5.989 9.198 1.00 0.00 C ATOM 411 CD1 ILE A 29 73.741 3.435 10.617 1.00 0.00 C ATOM 0 H ILE A 29 72.765 6.937 10.655 1.00 0.00 H new ATOM 0 HA ILE A 29 74.021 7.057 7.998 1.00 0.00 H new ATOM 0 HB ILE A 29 74.637 4.566 8.532 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.244 4.842 11.242 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.633 5.523 11.123 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.807 5.230 9.501 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.313 6.322 8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.144 6.837 9.880 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.530 3.115 11.637 1.00 0.00 H new ATOM 0 HD12 ILE A 29 72.817 3.438 10.039 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.452 2.747 10.160 1.00 0.00 H new ATOM 423 N ALA A 30 71.808 4.926 9.259 1.00 0.00 N ATOM 424 CA ALA A 30 70.597 4.181 8.931 1.00 0.00 C ATOM 425 C ALA A 30 69.506 5.178 8.565 1.00 0.00 C ATOM 426 O ALA A 30 68.383 4.816 8.216 1.00 0.00 O ATOM 427 CB ALA A 30 70.130 3.360 10.136 1.00 0.00 C ATOM 0 H ALA A 30 72.149 4.793 10.211 1.00 0.00 H new ATOM 0 HA ALA A 30 70.803 3.505 8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.226 2.811 9.874 1.00 0.00 H new ATOM 0 HB2 ALA A 30 70.912 2.656 10.422 1.00 0.00 H new ATOM 0 HB3 ALA A 30 69.919 4.028 10.972 1.00 0.00 H new ATOM 433 N SER A 31 69.901 6.445 8.605 1.00 0.00 N ATOM 434 CA SER A 31 69.005 7.558 8.297 1.00 0.00 C ATOM 435 C SER A 31 69.375 8.224 6.974 1.00 0.00 C ATOM 436 O SER A 31 68.635 9.075 6.479 1.00 0.00 O ATOM 437 CB SER A 31 69.025 8.591 9.424 1.00 0.00 C ATOM 438 OG SER A 31 70.324 9.151 9.536 1.00 0.00 O ATOM 0 H SER A 31 70.849 6.731 8.851 1.00 0.00 H new ATOM 0 HA SER A 31 67.998 7.152 8.203 1.00 0.00 H new ATOM 0 HB2 SER A 31 68.296 9.376 9.224 1.00 0.00 H new ATOM 0 HB3 SER A 31 68.738 8.122 10.365 1.00 0.00 H new ATOM 0 HG SER A 31 70.767 8.793 10.333 1.00 0.00 H new ATOM 444 N ASN A 32 70.525 7.860 6.414 1.00 0.00 N ATOM 445 CA ASN A 32 70.998 8.468 5.173 1.00 0.00 C ATOM 446 C ASN A 32 71.268 7.386 4.133 1.00 0.00 C ATOM 447 O ASN A 32 71.745 6.300 4.463 1.00 0.00 O ATOM 448 CB ASN A 32 72.292 9.244 5.437 1.00 0.00 C ATOM 449 CG ASN A 32 72.208 9.985 6.768 1.00 0.00 C ATOM 450 OD1 ASN A 32 73.179 10.012 7.526 1.00 0.00 O ATOM 451 ND2 ASN A 32 71.106 10.599 7.101 1.00 0.00 N ATOM 0 H ASN A 32 71.146 7.148 6.799 1.00 0.00 H new ATOM 0 HA ASN A 32 70.232 9.148 4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 32 73.139 8.558 5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 32 72.469 9.954 4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 32 71.049 11.100 7.988 1.00 0.00 H new ATOM 0 HD22 ASN A 32 70.301 10.578 6.475 1.00 0.00 H new ATOM 458 N TYR A 33 71.013 7.713 2.870 1.00 0.00 N ATOM 459 CA TYR A 33 71.258 6.765 1.788 1.00 0.00 C ATOM 460 C TYR A 33 72.755 6.604 1.550 1.00 0.00 C ATOM 461 O TYR A 33 73.498 7.583 1.574 1.00 0.00 O ATOM 462 CB TYR A 33 70.597 7.257 0.499 1.00 0.00 C ATOM 463 CG TYR A 33 69.095 7.256 0.661 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.413 6.044 0.818 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.384 8.463 0.661 1.00 0.00 C ATOM 466 CE1 TYR A 33 67.019 6.035 0.945 1.00 0.00 C ATOM 467 CE2 TYR A 33 66.991 8.455 0.802 1.00 0.00 C ATOM 468 CZ TYR A 33 66.307 7.240 0.928 1.00 0.00 C ATOM 469 OH TYR A 33 64.928 7.229 0.991 1.00 0.00 O ATOM 0 H TYR A 33 70.642 8.615 2.572 1.00 0.00 H new ATOM 0 HA TYR A 33 70.833 5.803 2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 33 70.946 8.262 0.262 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.882 6.615 -0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.963 5.115 0.841 1.00 0.00 H new ATOM 0 HD2 TYR A 33 68.910 9.400 0.552 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.493 5.098 1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.444 9.386 0.814 1.00 0.00 H new ATOM 0 HH TYR A 33 64.592 8.149 0.970 1.00 0.00 H new ATOM 479 N VAL A 34 73.201 5.361 1.401 1.00 0.00 N ATOM 480 CA VAL A 34 74.616 5.082 1.180 1.00 0.00 C ATOM 481 C VAL A 34 74.814 4.156 -0.012 1.00 0.00 C ATOM 482 O VAL A 34 73.946 3.353 -0.354 1.00 0.00 O ATOM 483 CB VAL A 34 75.225 4.452 2.437 1.00 0.00 C ATOM 484 CG1 VAL A 34 76.736 4.697 2.468 1.00 0.00 C ATOM 485 CG2 VAL A 34 74.575 5.061 3.681 1.00 0.00 C ATOM 0 H VAL A 34 72.606 4.533 1.429 1.00 0.00 H new ATOM 0 HA VAL A 34 75.119 6.025 0.965 1.00 0.00 H new ATOM 0 HB VAL A 34 75.042 3.377 2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 34 77.159 4.245 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 34 77.195 4.251 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 34 76.931 5.769 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.009 4.612 4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 34 74.750 6.137 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 34 73.502 4.868 3.662 1.00 0.00 H new ATOM 495 N GLN A 35 75.938 4.355 -0.694 1.00 0.00 N ATOM 496 CA GLN A 35 76.257 3.595 -1.896 1.00 0.00 C ATOM 497 C GLN A 35 77.727 3.193 -1.887 1.00 0.00 C ATOM 498 O GLN A 35 78.553 3.852 -1.256 1.00 0.00 O ATOM 499 CB GLN A 35 75.957 4.462 -3.121 1.00 0.00 C ATOM 500 CG GLN A 35 76.319 5.930 -2.861 1.00 0.00 C ATOM 501 CD GLN A 35 75.087 6.724 -2.435 1.00 0.00 C ATOM 502 OE1 GLN A 35 75.141 7.509 -1.488 1.00 0.00 O ATOM 503 NE2 GLN A 35 73.975 6.581 -3.103 1.00 0.00 N ATOM 0 H GLN A 35 76.646 5.041 -0.432 1.00 0.00 H new ATOM 0 HA GLN A 35 75.652 2.689 -1.929 1.00 0.00 H new ATOM 0 HB2 GLN A 35 76.519 4.092 -3.979 1.00 0.00 H new ATOM 0 HB3 GLN A 35 74.900 4.384 -3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 35 77.082 5.989 -2.085 1.00 0.00 H new ATOM 0 HG3 GLN A 35 76.747 6.369 -3.762 1.00 0.00 H new ATOM 0 HE21 GLN A 35 73.931 5.930 -3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 35 73.150 7.120 -2.841 1.00 0.00 H new ATOM 512 N TRP A 36 78.042 2.095 -2.569 1.00 0.00 N ATOM 513 CA TRP A 36 79.408 1.581 -2.610 1.00 0.00 C ATOM 514 C TRP A 36 79.939 1.601 -4.038 1.00 0.00 C ATOM 515 O TRP A 36 79.487 0.831 -4.885 1.00 0.00 O ATOM 516 CB TRP A 36 79.421 0.145 -2.086 1.00 0.00 C ATOM 517 CG TRP A 36 78.868 0.117 -0.698 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.602 -0.228 -0.372 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.534 0.453 0.556 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.446 -0.127 0.997 1.00 0.00 N ATOM 521 CE2 TRP A 36 78.617 0.255 1.620 1.00 0.00 C ATOM 522 CE3 TRP A 36 80.863 0.766 0.884 1.00 0.00 C ATOM 523 CZ2 TRP A 36 78.969 0.514 2.949 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.220 1.042 2.210 1.00 0.00 C ATOM 525 CH2 TRP A 36 80.285 0.888 3.242 1.00 0.00 C ATOM 0 H TRP A 36 77.369 1.544 -3.101 1.00 0.00 H new ATOM 0 HA TRP A 36 80.043 2.212 -1.988 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.829 -0.497 -2.738 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.438 -0.247 -2.092 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.836 -0.533 -1.069 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.571 -0.312 1.488 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.615 0.794 0.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.236 0.427 3.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.222 1.375 2.438 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.581 1.058 4.267 1.00 0.00 H new ATOM 536 N TYR A 37 81.035 2.328 -4.235 1.00 0.00 N ATOM 537 CA TYR A 37 81.699 2.425 -5.532 1.00 0.00 C ATOM 538 C TYR A 37 83.139 1.944 -5.396 1.00 0.00 C ATOM 539 O TYR A 37 83.751 2.091 -4.339 1.00 0.00 O ATOM 540 CB TYR A 37 81.697 3.873 -6.031 1.00 0.00 C ATOM 541 CG TYR A 37 80.326 4.509 -5.962 1.00 0.00 C ATOM 542 CD1 TYR A 37 79.161 3.760 -6.177 1.00 0.00 C ATOM 543 CD2 TYR A 37 80.234 5.906 -5.923 1.00 0.00 C ATOM 544 CE1 TYR A 37 77.910 4.381 -6.172 1.00 0.00 C ATOM 545 CE2 TYR A 37 78.983 6.533 -5.930 1.00 0.00 C ATOM 546 CZ TYR A 37 77.818 5.770 -6.055 1.00 0.00 C ATOM 547 OH TYR A 37 76.581 6.379 -6.099 1.00 0.00 O ATOM 0 H TYR A 37 81.489 2.868 -3.498 1.00 0.00 H new ATOM 0 HA TYR A 37 81.161 1.805 -6.249 1.00 0.00 H new ATOM 0 HB2 TYR A 37 82.396 4.460 -5.435 1.00 0.00 H new ATOM 0 HB3 TYR A 37 82.055 3.899 -7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 37 79.231 2.696 -6.348 1.00 0.00 H new ATOM 0 HD2 TYR A 37 81.134 6.503 -5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 37 77.013 3.787 -6.259 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.917 7.607 -5.839 1.00 0.00 H new ATOM 0 HH TYR A 37 76.690 7.348 -6.002 1.00 0.00 H new ATOM 557 N GLN A 38 83.681 1.375 -6.469 1.00 0.00 N ATOM 558 CA GLN A 38 85.056 0.885 -6.463 1.00 0.00 C ATOM 559 C GLN A 38 85.773 1.381 -7.715 1.00 0.00 C ATOM 560 O GLN A 38 85.265 1.251 -8.828 1.00 0.00 O ATOM 561 CB GLN A 38 85.100 -0.650 -6.393 1.00 0.00 C ATOM 562 CG GLN A 38 83.746 -1.273 -6.757 1.00 0.00 C ATOM 563 CD GLN A 38 82.856 -1.389 -5.523 1.00 0.00 C ATOM 564 OE1 GLN A 38 82.012 -0.529 -5.273 1.00 0.00 O ATOM 565 NE2 GLN A 38 83.055 -2.376 -4.692 1.00 0.00 N ATOM 0 H GLN A 38 83.190 1.242 -7.353 1.00 0.00 H new ATOM 0 HA GLN A 38 85.560 1.269 -5.576 1.00 0.00 H new ATOM 0 HB2 GLN A 38 85.867 -1.024 -7.072 1.00 0.00 H new ATOM 0 HB3 GLN A 38 85.385 -0.961 -5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 38 83.251 -0.663 -7.512 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.900 -2.259 -7.194 1.00 0.00 H new ATOM 0 HE21 GLN A 38 83.755 -3.087 -4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 38 82.510 -2.436 -3.832 1.00 0.00 H new ATOM 574 N GLN A 39 87.013 1.823 -7.527 1.00 0.00 N ATOM 575 CA GLN A 39 87.835 2.309 -8.629 1.00 0.00 C ATOM 576 C GLN A 39 88.811 1.222 -9.062 1.00 0.00 C ATOM 577 O GLN A 39 89.431 0.565 -8.226 1.00 0.00 O ATOM 578 CB GLN A 39 88.614 3.555 -8.196 1.00 0.00 C ATOM 579 CG GLN A 39 89.501 4.077 -9.338 1.00 0.00 C ATOM 580 CD GLN A 39 89.140 5.512 -9.708 1.00 0.00 C ATOM 581 OE1 GLN A 39 89.372 6.431 -8.922 1.00 0.00 O ATOM 582 NE2 GLN A 39 88.454 5.732 -10.795 1.00 0.00 N ATOM 0 H GLN A 39 87.472 1.854 -6.617 1.00 0.00 H new ATOM 0 HA GLN A 39 87.186 2.568 -9.465 1.00 0.00 H new ATOM 0 HB2 GLN A 39 87.917 4.334 -7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 39 89.232 3.319 -7.330 1.00 0.00 H new ATOM 0 HG2 GLN A 39 90.548 4.029 -9.039 1.00 0.00 H new ATOM 0 HG3 GLN A 39 89.389 3.435 -10.211 1.00 0.00 H new ATOM 0 HE21 GLN A 39 88.265 4.967 -11.442 1.00 0.00 H new ATOM 0 HE22 GLN A 39 88.107 6.669 -10.998 1.00 0.00 H new ATOM 591 N ARG A 40 88.936 1.036 -10.373 1.00 0.00 N ATOM 592 CA ARG A 40 89.838 0.030 -10.927 1.00 0.00 C ATOM 593 C ARG A 40 90.822 0.687 -11.895 1.00 0.00 C ATOM 594 O ARG A 40 90.393 1.317 -12.862 1.00 0.00 O ATOM 595 CB ARG A 40 89.028 -1.038 -11.664 1.00 0.00 C ATOM 596 CG ARG A 40 89.977 -2.093 -12.232 1.00 0.00 C ATOM 597 CD ARG A 40 89.163 -3.231 -12.851 1.00 0.00 C ATOM 598 NE ARG A 40 90.038 -4.362 -13.145 1.00 0.00 N ATOM 599 CZ ARG A 40 89.736 -5.603 -12.774 1.00 0.00 C ATOM 600 NH1 ARG A 40 88.569 -6.106 -13.067 1.00 0.00 N ATOM 601 NH2 ARG A 40 90.614 -6.323 -12.131 1.00 0.00 N ATOM 0 H ARG A 40 88.422 1.570 -11.074 1.00 0.00 H new ATOM 0 HA ARG A 40 90.395 -0.435 -10.113 1.00 0.00 H new ATOM 0 HB2 ARG A 40 88.315 -1.503 -10.984 1.00 0.00 H new ATOM 0 HB3 ARG A 40 88.451 -0.582 -12.468 1.00 0.00 H new ATOM 0 HG2 ARG A 40 90.627 -1.646 -12.984 1.00 0.00 H new ATOM 0 HG3 ARG A 40 90.622 -2.480 -11.443 1.00 0.00 H new ATOM 0 HD2 ARG A 40 88.373 -3.539 -12.166 1.00 0.00 H new ATOM 0 HD3 ARG A 40 88.677 -2.888 -13.765 1.00 0.00 H new ATOM 0 HE ARG A 40 90.908 -4.195 -13.651 1.00 0.00 H new ATOM 0 HH11 ARG A 40 87.887 -5.548 -13.581 1.00 0.00 H new ATOM 0 HH12 ARG A 40 88.338 -7.058 -12.782 1.00 0.00 H new ATOM 0 HH21 ARG A 40 91.531 -5.934 -11.913 1.00 0.00 H new ATOM 0 HH22 ARG A 40 90.383 -7.275 -11.846 1.00 0.00 H new ATOM 615 N PRO A 41 92.110 0.519 -11.725 1.00 0.00 N ATOM 616 CA PRO A 41 93.099 1.128 -12.660 1.00 0.00 C ATOM 617 C PRO A 41 92.849 0.664 -14.093 1.00 0.00 C ATOM 618 O PRO A 41 92.585 -0.515 -14.329 1.00 0.00 O ATOM 619 CB PRO A 41 94.477 0.675 -12.155 1.00 0.00 C ATOM 620 CG PRO A 41 94.268 -0.128 -10.910 1.00 0.00 C ATOM 621 CD PRO A 41 92.765 -0.216 -10.629 1.00 0.00 C ATOM 0 HA PRO A 41 93.023 2.215 -12.679 1.00 0.00 H new ATOM 0 HB2 PRO A 41 94.984 0.079 -12.913 1.00 0.00 H new ATOM 0 HB3 PRO A 41 95.111 1.538 -11.951 1.00 0.00 H new ATOM 0 HG2 PRO A 41 94.689 -1.126 -11.029 1.00 0.00 H new ATOM 0 HG3 PRO A 41 94.783 0.337 -10.069 1.00 0.00 H new ATOM 0 HD2 PRO A 41 92.432 -1.254 -10.600 1.00 0.00 H new ATOM 0 HD3 PRO A 41 92.521 0.224 -9.662 1.00 0.00 H new ATOM 629 N GLY A 42 93.018 1.570 -15.052 1.00 0.00 N ATOM 630 CA GLY A 42 92.817 1.230 -16.457 1.00 0.00 C ATOM 631 C GLY A 42 91.370 1.472 -16.874 1.00 0.00 C ATOM 632 O GLY A 42 91.033 1.392 -18.055 1.00 0.00 O ATOM 0 H GLY A 42 93.292 2.538 -14.884 1.00 0.00 H new ATOM 0 HA2 GLY A 42 93.484 1.828 -17.079 1.00 0.00 H new ATOM 0 HA3 GLY A 42 93.078 0.185 -16.623 1.00 0.00 H new ATOM 636 N SER A 43 90.520 1.764 -15.895 1.00 0.00 N ATOM 637 CA SER A 43 89.108 2.015 -16.160 1.00 0.00 C ATOM 638 C SER A 43 88.513 2.894 -15.065 1.00 0.00 C ATOM 639 O SER A 43 89.092 3.033 -13.988 1.00 0.00 O ATOM 640 CB SER A 43 88.337 0.694 -16.218 1.00 0.00 C ATOM 641 OG SER A 43 88.305 0.104 -14.927 1.00 0.00 O ATOM 0 H SER A 43 90.784 1.833 -14.912 1.00 0.00 H new ATOM 0 HA SER A 43 89.025 2.526 -17.119 1.00 0.00 H new ATOM 0 HB2 SER A 43 87.322 0.869 -16.574 1.00 0.00 H new ATOM 0 HB3 SER A 43 88.811 0.016 -16.927 1.00 0.00 H new ATOM 0 HG SER A 43 87.810 -0.741 -14.966 1.00 0.00 H new ATOM 647 N SER A 44 87.361 3.494 -15.349 1.00 0.00 N ATOM 648 CA SER A 44 86.716 4.367 -14.376 1.00 0.00 C ATOM 649 C SER A 44 86.063 3.530 -13.278 1.00 0.00 C ATOM 650 O SER A 44 86.043 2.302 -13.369 1.00 0.00 O ATOM 651 CB SER A 44 85.664 5.238 -15.070 1.00 0.00 C ATOM 652 OG SER A 44 84.373 4.678 -14.879 1.00 0.00 O ATOM 0 H SER A 44 86.861 3.394 -16.232 1.00 0.00 H new ATOM 0 HA SER A 44 87.468 5.015 -13.926 1.00 0.00 H new ATOM 0 HB2 SER A 44 85.694 6.251 -14.668 1.00 0.00 H new ATOM 0 HB3 SER A 44 85.885 5.311 -16.135 1.00 0.00 H new ATOM 0 HG SER A 44 83.704 5.239 -15.323 1.00 0.00 H new ATOM 658 N PRO A 45 85.495 4.150 -12.277 1.00 0.00 N ATOM 659 CA PRO A 45 84.759 3.423 -11.204 1.00 0.00 C ATOM 660 C PRO A 45 83.428 2.871 -11.707 1.00 0.00 C ATOM 661 O PRO A 45 82.736 3.518 -12.492 1.00 0.00 O ATOM 662 CB PRO A 45 84.560 4.469 -10.097 1.00 0.00 C ATOM 663 CG PRO A 45 85.202 5.736 -10.572 1.00 0.00 C ATOM 664 CD PRO A 45 85.398 5.606 -12.084 1.00 0.00 C ATOM 0 HA PRO A 45 85.308 2.551 -10.849 1.00 0.00 H new ATOM 0 HB2 PRO A 45 83.499 4.625 -9.899 1.00 0.00 H new ATOM 0 HB3 PRO A 45 85.012 4.134 -9.164 1.00 0.00 H new ATOM 0 HG2 PRO A 45 84.575 6.596 -10.338 1.00 0.00 H new ATOM 0 HG3 PRO A 45 86.158 5.893 -10.072 1.00 0.00 H new ATOM 0 HD2 PRO A 45 84.562 6.033 -12.638 1.00 0.00 H new ATOM 0 HD3 PRO A 45 86.299 6.119 -12.421 1.00 0.00 H new ATOM 672 N THR A 46 83.011 1.743 -11.139 1.00 0.00 N ATOM 673 CA THR A 46 81.731 1.135 -11.488 1.00 0.00 C ATOM 674 C THR A 46 80.846 1.028 -10.251 1.00 0.00 C ATOM 675 O THR A 46 81.207 0.374 -9.273 1.00 0.00 O ATOM 676 CB THR A 46 81.959 -0.263 -12.067 1.00 0.00 C ATOM 677 OG1 THR A 46 82.917 -0.187 -13.112 1.00 0.00 O ATOM 678 CG2 THR A 46 80.641 -0.808 -12.620 1.00 0.00 C ATOM 0 H THR A 46 83.542 1.231 -10.434 1.00 0.00 H new ATOM 0 HA THR A 46 81.238 1.762 -12.231 1.00 0.00 H new ATOM 0 HB THR A 46 82.324 -0.928 -11.284 1.00 0.00 H new ATOM 0 HG1 THR A 46 83.067 -1.081 -13.484 1.00 0.00 H new ATOM 0 HG21 THR A 46 80.804 -1.804 -13.032 1.00 0.00 H new ATOM 0 HG22 THR A 46 79.905 -0.863 -11.818 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.274 -0.146 -13.404 1.00 0.00 H new ATOM 686 N THR A 47 79.669 1.643 -10.314 1.00 0.00 N ATOM 687 CA THR A 47 78.744 1.580 -9.190 1.00 0.00 C ATOM 688 C THR A 47 78.334 0.135 -8.940 1.00 0.00 C ATOM 689 O THR A 47 77.652 -0.469 -9.767 1.00 0.00 O ATOM 690 CB THR A 47 77.499 2.427 -9.467 1.00 0.00 C ATOM 691 OG1 THR A 47 77.860 3.801 -9.491 1.00 0.00 O ATOM 692 CG2 THR A 47 76.424 2.206 -8.397 1.00 0.00 C ATOM 0 H THR A 47 79.338 2.181 -11.115 1.00 0.00 H new ATOM 0 HA THR A 47 79.246 1.975 -8.307 1.00 0.00 H new ATOM 0 HB THR A 47 77.090 2.125 -10.431 1.00 0.00 H new ATOM 0 HG1 THR A 47 77.919 4.140 -8.573 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.554 2.822 -8.623 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.132 1.156 -8.386 1.00 0.00 H new ATOM 0 HG23 THR A 47 76.821 2.483 -7.420 1.00 0.00 H new ATOM 700 N VAL A 48 78.613 -0.363 -7.739 1.00 0.00 N ATOM 701 CA VAL A 48 78.296 -1.755 -7.440 1.00 0.00 C ATOM 702 C VAL A 48 77.013 -1.860 -6.620 1.00 0.00 C ATOM 703 O VAL A 48 76.272 -2.829 -6.776 1.00 0.00 O ATOM 704 CB VAL A 48 79.471 -2.365 -6.661 1.00 0.00 C ATOM 705 CG1 VAL A 48 79.006 -3.499 -5.743 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.524 -2.916 -7.627 1.00 0.00 C ATOM 0 H VAL A 48 79.045 0.159 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 48 78.139 -2.297 -8.372 1.00 0.00 H new ATOM 0 HB VAL A 48 79.902 -1.570 -6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 48 79.863 -3.908 -5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.280 -3.113 -5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 48 78.543 -4.284 -6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.350 -3.345 -7.059 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.075 -3.687 -8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 48 80.897 -2.109 -8.257 1.00 0.00 H new ATOM 716 N ILE A 49 76.687 -0.844 -5.827 1.00 0.00 N ATOM 717 CA ILE A 49 75.444 -0.837 -5.070 1.00 0.00 C ATOM 718 C ILE A 49 74.926 0.595 -4.994 1.00 0.00 C ATOM 719 O ILE A 49 75.695 1.527 -4.764 1.00 0.00 O ATOM 720 CB ILE A 49 75.691 -1.431 -3.677 1.00 0.00 C ATOM 721 CG1 ILE A 49 75.657 -2.960 -3.753 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.619 -0.944 -2.698 1.00 0.00 C ATOM 723 CD1 ILE A 49 76.097 -3.572 -2.422 1.00 0.00 C ATOM 0 H ILE A 49 77.267 -0.016 -5.693 1.00 0.00 H new ATOM 0 HA ILE A 49 74.688 -1.450 -5.560 1.00 0.00 H new ATOM 0 HB ILE A 49 76.670 -1.106 -3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 49 74.650 -3.296 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 49 76.312 -3.305 -4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 49 74.805 -1.372 -1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.652 0.144 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.636 -1.256 -3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 49 76.067 -4.659 -2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 49 77.113 -3.252 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 49 75.425 -3.242 -1.630 1.00 0.00 H new ATOM 735 N TYR A 50 73.604 0.725 -4.933 1.00 0.00 N ATOM 736 CA TYR A 50 72.970 2.018 -4.700 1.00 0.00 C ATOM 737 C TYR A 50 71.872 1.880 -3.650 1.00 0.00 C ATOM 738 O TYR A 50 71.569 0.770 -3.213 1.00 0.00 O ATOM 739 CB TYR A 50 72.407 2.544 -6.023 1.00 0.00 C ATOM 740 CG TYR A 50 71.937 3.966 -5.836 1.00 0.00 C ATOM 741 CD1 TYR A 50 72.880 4.994 -5.727 1.00 0.00 C ATOM 742 CD2 TYR A 50 70.568 4.259 -5.780 1.00 0.00 C ATOM 743 CE1 TYR A 50 72.455 6.321 -5.593 1.00 0.00 C ATOM 744 CE2 TYR A 50 70.142 5.586 -5.632 1.00 0.00 C ATOM 745 CZ TYR A 50 71.088 6.616 -5.542 1.00 0.00 C ATOM 746 OH TYR A 50 70.673 7.924 -5.401 1.00 0.00 O ATOM 0 H TYR A 50 72.950 -0.051 -5.042 1.00 0.00 H new ATOM 0 HA TYR A 50 73.704 2.730 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 50 73.171 2.501 -6.799 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.580 1.916 -6.354 1.00 0.00 H new ATOM 0 HD1 TYR A 50 73.935 4.764 -5.746 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.842 3.463 -5.851 1.00 0.00 H new ATOM 0 HE1 TYR A 50 73.182 7.117 -5.529 1.00 0.00 H new ATOM 0 HE2 TYR A 50 69.087 5.814 -5.587 1.00 0.00 H new ATOM 0 HH TYR A 50 71.192 8.357 -4.692 1.00 0.00 H new ATOM 756 N GLU A 51 71.486 3.004 -3.057 1.00 0.00 N ATOM 757 CA GLU A 51 70.539 2.994 -1.947 1.00 0.00 C ATOM 758 C GLU A 51 70.919 1.942 -0.909 1.00 0.00 C ATOM 759 O GLU A 51 70.060 1.322 -0.282 1.00 0.00 O ATOM 760 CB GLU A 51 69.159 2.658 -2.521 1.00 0.00 C ATOM 761 CG GLU A 51 68.098 2.653 -1.411 1.00 0.00 C ATOM 762 CD GLU A 51 66.788 3.267 -1.897 1.00 0.00 C ATOM 763 OE1 GLU A 51 66.485 3.112 -3.070 1.00 0.00 O ATOM 764 OE2 GLU A 51 66.137 3.932 -1.109 1.00 0.00 O ATOM 0 H GLU A 51 71.813 3.932 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 51 70.542 3.967 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.890 3.387 -3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.189 1.683 -3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.922 1.630 -1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.466 3.210 -0.550 1.00 0.00 H new ATOM 771 N ASP A 52 72.205 1.610 -0.909 1.00 0.00 N ATOM 772 CA ASP A 52 72.762 0.575 -0.043 1.00 0.00 C ATOM 773 C ASP A 52 71.849 -0.645 -0.052 1.00 0.00 C ATOM 774 O ASP A 52 72.026 -1.567 0.746 1.00 0.00 O ATOM 775 CB ASP A 52 72.857 1.078 1.399 1.00 0.00 C ATOM 776 CG ASP A 52 71.481 1.508 1.897 1.00 0.00 C ATOM 777 OD1 ASP A 52 70.738 0.649 2.344 1.00 0.00 O ATOM 778 OD2 ASP A 52 71.164 2.679 1.767 1.00 0.00 O ATOM 0 H ASP A 52 72.896 2.054 -1.514 1.00 0.00 H new ATOM 0 HA ASP A 52 73.754 0.319 -0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.255 0.292 2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.551 1.917 1.455 1.00 0.00 H new ATOM 783 N ASN A 53 71.012 -0.740 -1.081 1.00 0.00 N ATOM 784 CA ASN A 53 70.218 -1.936 -1.336 1.00 0.00 C ATOM 785 C ASN A 53 70.426 -2.389 -2.776 1.00 0.00 C ATOM 786 O ASN A 53 70.412 -3.580 -3.082 1.00 0.00 O ATOM 787 CB ASN A 53 68.759 -1.610 -1.000 1.00 0.00 C ATOM 788 CG ASN A 53 67.773 -2.310 -1.926 1.00 0.00 C ATOM 789 OD1 ASN A 53 67.623 -3.530 -1.870 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.093 -1.594 -2.780 1.00 0.00 N ATOM 0 H ASN A 53 70.866 0.008 -1.759 1.00 0.00 H new ATOM 0 HA ASN A 53 70.526 -2.773 -0.709 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.554 -1.901 0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.608 -0.532 -1.063 1.00 0.00 H new ATOM 0 HD21 ASN A 53 66.429 -2.045 -3.410 1.00 0.00 H new ATOM 0 HD22 ASN A 53 67.225 -0.583 -2.818 1.00 0.00 H new ATOM 797 N GLN A 54 70.354 -1.406 -3.668 1.00 0.00 N ATOM 798 CA GLN A 54 70.260 -1.679 -5.095 1.00 0.00 C ATOM 799 C GLN A 54 71.410 -2.598 -5.491 1.00 0.00 C ATOM 800 O GLN A 54 72.538 -2.405 -5.038 1.00 0.00 O ATOM 801 CB GLN A 54 70.322 -0.361 -5.878 1.00 0.00 C ATOM 802 CG GLN A 54 69.069 -0.151 -6.730 1.00 0.00 C ATOM 803 CD GLN A 54 67.855 -0.085 -5.811 1.00 0.00 C ATOM 804 OE1 GLN A 54 66.717 -0.053 -6.278 1.00 0.00 O ATOM 805 NE2 GLN A 54 68.042 -0.075 -4.519 1.00 0.00 N ATOM 0 H GLN A 54 70.359 -0.415 -3.427 1.00 0.00 H new ATOM 0 HA GLN A 54 69.314 -2.168 -5.326 1.00 0.00 H new ATOM 0 HB2 GLN A 54 70.433 0.471 -5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 54 71.203 -0.360 -6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 54 69.155 0.769 -7.308 1.00 0.00 H new ATOM 0 HG3 GLN A 54 68.957 -0.967 -7.444 1.00 0.00 H new ATOM 0 HE21 GLN A 54 68.989 -0.102 -4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 54 67.241 -0.040 -3.888 1.00 0.00 H new ATOM 814 N ARG A 55 71.118 -3.621 -6.291 1.00 0.00 N ATOM 815 CA ARG A 55 72.155 -4.537 -6.761 1.00 0.00 C ATOM 816 C ARG A 55 72.058 -4.675 -8.282 1.00 0.00 C ATOM 817 O ARG A 55 71.161 -5.365 -8.767 1.00 0.00 O ATOM 818 CB ARG A 55 71.969 -5.897 -6.074 1.00 0.00 C ATOM 819 CG ARG A 55 73.309 -6.465 -5.587 1.00 0.00 C ATOM 820 CD ARG A 55 73.676 -5.904 -4.207 1.00 0.00 C ATOM 821 NE ARG A 55 73.304 -6.865 -3.174 1.00 0.00 N ATOM 822 CZ ARG A 55 72.718 -6.485 -2.043 1.00 0.00 C ATOM 823 NH1 ARG A 55 73.251 -5.544 -1.313 1.00 0.00 N ATOM 824 NH2 ARG A 55 71.586 -7.027 -1.685 1.00 0.00 N ATOM 0 H ARG A 55 70.179 -3.836 -6.626 1.00 0.00 H new ATOM 0 HA ARG A 55 73.144 -4.151 -6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 55 71.289 -5.790 -5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 55 71.506 -6.597 -6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 55 73.250 -7.552 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 55 74.093 -6.220 -6.303 1.00 0.00 H new ATOM 0 HD2 ARG A 55 74.745 -5.699 -4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 55 73.162 -4.957 -4.040 1.00 0.00 H new ATOM 0 HE ARG A 55 73.499 -7.855 -3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 55 74.119 -5.098 -1.610 1.00 0.00 H new ATOM 0 HH12 ARG A 55 72.800 -5.254 -0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 55 71.154 -7.740 -2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 55 71.134 -6.738 -0.818 1.00 0.00 H new ATOM 838 N PRO A 56 72.977 -4.138 -9.042 1.00 0.00 N ATOM 839 CA PRO A 56 72.978 -4.313 -10.522 1.00 0.00 C ATOM 840 C PRO A 56 73.163 -5.775 -10.919 1.00 0.00 C ATOM 841 O PRO A 56 73.961 -6.491 -10.315 1.00 0.00 O ATOM 842 CB PRO A 56 74.140 -3.448 -11.035 1.00 0.00 C ATOM 843 CG PRO A 56 74.679 -2.683 -9.866 1.00 0.00 C ATOM 844 CD PRO A 56 74.105 -3.308 -8.592 1.00 0.00 C ATOM 0 HA PRO A 56 72.025 -4.011 -10.956 1.00 0.00 H new ATOM 0 HB2 PRO A 56 74.917 -4.072 -11.477 1.00 0.00 H new ATOM 0 HB3 PRO A 56 73.797 -2.767 -11.814 1.00 0.00 H new ATOM 0 HG2 PRO A 56 75.768 -2.722 -9.853 1.00 0.00 H new ATOM 0 HG3 PRO A 56 74.399 -1.632 -9.935 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.854 -3.909 -8.076 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.774 -2.541 -7.892 1.00 0.00 H new ATOM 852 N SER A 57 72.569 -6.151 -12.048 1.00 0.00 N ATOM 853 CA SER A 57 72.738 -7.499 -12.580 1.00 0.00 C ATOM 854 C SER A 57 74.192 -7.752 -12.967 1.00 0.00 C ATOM 855 O SER A 57 74.649 -8.896 -12.995 1.00 0.00 O ATOM 856 CB SER A 57 71.843 -7.697 -13.805 1.00 0.00 C ATOM 857 OG SER A 57 72.324 -8.790 -14.573 1.00 0.00 O ATOM 0 H SER A 57 71.970 -5.545 -12.609 1.00 0.00 H new ATOM 0 HA SER A 57 72.454 -8.208 -11.802 1.00 0.00 H new ATOM 0 HB2 SER A 57 70.816 -7.884 -13.491 1.00 0.00 H new ATOM 0 HB3 SER A 57 71.832 -6.791 -14.410 1.00 0.00 H new ATOM 0 HG SER A 57 71.749 -8.917 -15.357 1.00 0.00 H new ATOM 863 N GLY A 58 74.889 -6.688 -13.353 1.00 0.00 N ATOM 864 CA GLY A 58 76.289 -6.801 -13.743 1.00 0.00 C ATOM 865 C GLY A 58 77.118 -7.405 -12.615 1.00 0.00 C ATOM 866 O GLY A 58 77.910 -8.320 -12.840 1.00 0.00 O ATOM 0 H GLY A 58 74.509 -5.743 -13.404 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.374 -7.421 -14.635 1.00 0.00 H new ATOM 0 HA3 GLY A 58 76.680 -5.817 -14.001 1.00 0.00 H new ATOM 870 N VAL A 59 76.965 -6.862 -11.410 1.00 0.00 N ATOM 871 CA VAL A 59 77.727 -7.337 -10.259 1.00 0.00 C ATOM 872 C VAL A 59 76.879 -8.346 -9.482 1.00 0.00 C ATOM 873 O VAL A 59 75.793 -7.989 -9.025 1.00 0.00 O ATOM 874 CB VAL A 59 78.133 -6.149 -9.377 1.00 0.00 C ATOM 875 CG1 VAL A 59 77.044 -5.076 -9.438 1.00 0.00 C ATOM 876 CG2 VAL A 59 78.357 -6.590 -7.926 1.00 0.00 C ATOM 0 H VAL A 59 76.323 -6.096 -11.206 1.00 0.00 H new ATOM 0 HA VAL A 59 78.640 -7.832 -10.590 1.00 0.00 H new ATOM 0 HB VAL A 59 79.072 -5.741 -9.752 1.00 0.00 H new ATOM 0 HG11 VAL A 59 77.330 -4.231 -8.812 1.00 0.00 H new ATOM 0 HG12 VAL A 59 76.922 -4.740 -10.468 1.00 0.00 H new ATOM 0 HG13 VAL A 59 76.103 -5.492 -9.078 1.00 0.00 H new ATOM 0 HG21 VAL A 59 78.644 -5.728 -7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 59 77.437 -7.019 -7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 59 79.150 -7.337 -7.891 1.00 0.00 H new ATOM 886 N PRO A 60 77.388 -9.509 -9.161 1.00 0.00 N ATOM 887 CA PRO A 60 76.636 -10.488 -8.325 1.00 0.00 C ATOM 888 C PRO A 60 76.353 -9.944 -6.927 1.00 0.00 C ATOM 889 O PRO A 60 76.952 -8.959 -6.498 1.00 0.00 O ATOM 890 CB PRO A 60 77.508 -11.750 -8.275 1.00 0.00 C ATOM 891 CG PRO A 60 78.771 -11.463 -9.024 1.00 0.00 C ATOM 892 CD PRO A 60 78.684 -10.049 -9.606 1.00 0.00 C ATOM 0 HA PRO A 60 75.656 -10.699 -8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 60 77.729 -12.021 -7.243 1.00 0.00 H new ATOM 0 HB3 PRO A 60 76.983 -12.595 -8.721 1.00 0.00 H new ATOM 0 HG2 PRO A 60 79.632 -11.547 -8.360 1.00 0.00 H new ATOM 0 HG3 PRO A 60 78.912 -12.192 -9.822 1.00 0.00 H new ATOM 0 HD2 PRO A 60 79.508 -9.429 -9.252 1.00 0.00 H new ATOM 0 HD3 PRO A 60 78.746 -10.070 -10.694 1.00 0.00 H new ATOM 900 N ASP A 61 75.427 -10.590 -6.225 1.00 0.00 N ATOM 901 CA ASP A 61 75.078 -10.182 -4.868 1.00 0.00 C ATOM 902 C ASP A 61 76.291 -10.244 -3.948 1.00 0.00 C ATOM 903 O ASP A 61 76.175 -10.034 -2.742 1.00 0.00 O ATOM 904 CB ASP A 61 73.968 -11.075 -4.307 1.00 0.00 C ATOM 905 CG ASP A 61 74.416 -12.533 -4.323 1.00 0.00 C ATOM 906 OD1 ASP A 61 75.609 -12.763 -4.442 1.00 0.00 O ATOM 907 OD2 ASP A 61 73.572 -13.390 -4.118 1.00 0.00 O ATOM 0 H ASP A 61 74.906 -11.396 -6.572 1.00 0.00 H new ATOM 0 HA ASP A 61 74.724 -9.152 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 61 73.725 -10.771 -3.289 1.00 0.00 H new ATOM 0 HB3 ASP A 61 73.061 -10.958 -4.900 1.00 0.00 H new ATOM 912 N ARG A 62 77.441 -10.618 -4.503 1.00 0.00 N ATOM 913 CA ARG A 62 78.661 -10.736 -3.712 1.00 0.00 C ATOM 914 C ARG A 62 78.761 -9.604 -2.695 1.00 0.00 C ATOM 915 O ARG A 62 79.243 -9.799 -1.579 1.00 0.00 O ATOM 916 CB ARG A 62 79.889 -10.704 -4.628 1.00 0.00 C ATOM 917 CG ARG A 62 81.183 -10.654 -3.802 1.00 0.00 C ATOM 918 CD ARG A 62 81.747 -9.231 -3.747 1.00 0.00 C ATOM 919 NE ARG A 62 82.416 -8.920 -5.006 1.00 0.00 N ATOM 920 CZ ARG A 62 83.687 -8.533 -5.048 1.00 0.00 C ATOM 921 NH1 ARG A 62 84.096 -7.559 -4.281 1.00 0.00 N ATOM 922 NH2 ARG A 62 84.541 -9.197 -5.776 1.00 0.00 N ATOM 0 H ARG A 62 77.553 -10.843 -5.492 1.00 0.00 H new ATOM 0 HA ARG A 62 78.627 -11.686 -3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 62 79.894 -11.586 -5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 62 79.837 -9.835 -5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 62 80.987 -11.010 -2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 62 81.923 -11.325 -4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 62 80.943 -8.517 -3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.449 -9.139 -2.918 1.00 0.00 H new ATOM 0 HE ARG A 62 81.894 -9.002 -5.878 1.00 0.00 H new ATOM 0 HH11 ARG A 62 83.441 -7.096 -3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 62 85.071 -7.261 -4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 62 84.233 -10.009 -6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 62 85.517 -8.904 -5.811 1.00 0.00 H new ATOM 936 N PHE A 63 78.323 -8.414 -3.095 1.00 0.00 N ATOM 937 CA PHE A 63 78.359 -7.265 -2.199 1.00 0.00 C ATOM 938 C PHE A 63 77.066 -7.183 -1.399 1.00 0.00 C ATOM 939 O PHE A 63 75.981 -7.415 -1.933 1.00 0.00 O ATOM 940 CB PHE A 63 78.530 -5.983 -3.015 1.00 0.00 C ATOM 941 CG PHE A 63 79.752 -6.126 -3.890 1.00 0.00 C ATOM 942 CD1 PHE A 63 79.677 -6.841 -5.092 1.00 0.00 C ATOM 943 CD2 PHE A 63 80.934 -5.458 -3.547 1.00 0.00 C ATOM 944 CE1 PHE A 63 80.820 -6.981 -5.890 1.00 0.00 C ATOM 945 CE2 PHE A 63 82.047 -5.520 -4.395 1.00 0.00 C ATOM 946 CZ PHE A 63 81.986 -6.277 -5.571 1.00 0.00 C ATOM 0 H PHE A 63 77.944 -8.222 -4.022 1.00 0.00 H new ATOM 0 HA PHE A 63 79.198 -7.379 -1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 63 77.646 -5.804 -3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 63 78.638 -5.125 -2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 63 78.742 -7.283 -5.403 1.00 0.00 H new ATOM 0 HD2 PHE A 63 80.987 -4.894 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 63 80.801 -7.632 -6.751 1.00 0.00 H new ATOM 0 HE2 PHE A 63 82.950 -4.985 -4.142 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.839 -6.317 -6.232 1.00 0.00 H new ATOM 956 N SER A 64 77.176 -6.765 -0.142 1.00 0.00 N ATOM 957 CA SER A 64 75.997 -6.640 0.707 1.00 0.00 C ATOM 958 C SER A 64 76.034 -5.352 1.514 1.00 0.00 C ATOM 959 O SER A 64 76.686 -5.310 2.551 1.00 0.00 O ATOM 960 CB SER A 64 75.884 -7.849 1.639 1.00 0.00 C ATOM 961 OG SER A 64 74.525 -8.077 1.982 1.00 0.00 O ATOM 0 H SER A 64 78.056 -6.510 0.306 1.00 0.00 H new ATOM 0 HA SER A 64 75.119 -6.607 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.297 -8.733 1.153 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.471 -7.678 2.541 1.00 0.00 H new ATOM 0 HG SER A 64 74.464 -8.853 2.577 1.00 0.00 H new ATOM 967 N GLY A 65 74.975 -4.577 1.318 1.00 0.00 N ATOM 968 CA GLY A 65 74.818 -3.288 1.976 1.00 0.00 C ATOM 969 C GLY A 65 73.639 -3.320 2.942 1.00 0.00 C ATOM 970 O GLY A 65 72.547 -3.759 2.584 1.00 0.00 O ATOM 0 H GLY A 65 74.203 -4.824 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.731 -3.035 2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.663 -2.509 1.230 1.00 0.00 H new ATOM 974 N SER A 66 73.890 -2.956 4.196 1.00 0.00 N ATOM 975 CA SER A 66 72.836 -2.976 5.204 1.00 0.00 C ATOM 976 C SER A 66 73.189 -2.076 6.382 1.00 0.00 C ATOM 977 O SER A 66 74.339 -1.670 6.549 1.00 0.00 O ATOM 978 CB SER A 66 72.626 -4.408 5.699 1.00 0.00 C ATOM 979 OG SER A 66 73.739 -4.802 6.488 1.00 0.00 O ATOM 0 H SER A 66 74.801 -2.648 4.535 1.00 0.00 H new ATOM 0 HA SER A 66 71.919 -2.603 4.749 1.00 0.00 H new ATOM 0 HB2 SER A 66 71.710 -4.471 6.286 1.00 0.00 H new ATOM 0 HB3 SER A 66 72.509 -5.084 4.852 1.00 0.00 H new ATOM 0 HG SER A 66 73.605 -5.719 6.807 1.00 0.00 H new ATOM 985 N ILE A 67 72.172 -1.714 7.158 1.00 0.00 N ATOM 986 CA ILE A 67 72.355 -0.841 8.312 1.00 0.00 C ATOM 987 C ILE A 67 71.554 -1.351 9.504 1.00 0.00 C ATOM 988 O ILE A 67 70.827 -2.337 9.386 1.00 0.00 O ATOM 989 CB ILE A 67 71.896 0.576 7.962 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.457 0.556 7.431 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.820 1.180 6.901 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.430 0.257 8.528 1.00 0.00 C ATOM 0 H ILE A 67 71.209 -2.013 7.007 1.00 0.00 H new ATOM 0 HA ILE A 67 73.412 -0.833 8.576 1.00 0.00 H new ATOM 0 HB ILE A 67 71.935 1.184 8.866 1.00 0.00 H new ATOM 0 HG12 ILE A 67 70.228 1.520 6.976 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.374 -0.195 6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.485 2.189 6.658 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.839 1.219 7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.794 0.563 6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.428 0.255 8.098 1.00 0.00 H new ATOM 0 HD12 ILE A 67 69.639 -0.719 8.966 1.00 0.00 H new ATOM 0 HD13 ILE A 67 69.491 1.022 9.302 1.00 0.00 H new ATOM 1004 N ASP A 68 71.935 -0.881 10.688 1.00 0.00 N ATOM 1005 CA ASP A 68 71.228 -1.227 11.918 1.00 0.00 C ATOM 1006 C ASP A 68 70.312 -0.108 12.406 1.00 0.00 C ATOM 1007 O ASP A 68 70.596 1.072 12.204 1.00 0.00 O ATOM 1008 CB ASP A 68 72.249 -1.606 12.992 1.00 0.00 C ATOM 1009 CG ASP A 68 72.934 -2.906 12.584 1.00 0.00 C ATOM 1010 OD1 ASP A 68 72.480 -3.520 11.632 1.00 0.00 O ATOM 1011 OD2 ASP A 68 73.929 -3.250 13.198 1.00 0.00 O ATOM 0 H ASP A 68 72.731 -0.258 10.822 1.00 0.00 H new ATOM 0 HA ASP A 68 70.579 -2.077 11.707 1.00 0.00 H new ATOM 0 HB2 ASP A 68 72.986 -0.812 13.109 1.00 0.00 H new ATOM 0 HB3 ASP A 68 71.755 -1.726 13.956 1.00 0.00 H new ATOM 1016 N SER A 69 69.284 -0.483 13.163 1.00 0.00 N ATOM 1017 CA SER A 69 68.386 0.494 13.771 1.00 0.00 C ATOM 1018 C SER A 69 69.093 1.288 14.865 1.00 0.00 C ATOM 1019 O SER A 69 68.448 1.950 15.678 1.00 0.00 O ATOM 1020 CB SER A 69 67.166 -0.216 14.365 1.00 0.00 C ATOM 1021 OG SER A 69 66.235 0.751 14.827 1.00 0.00 O ATOM 0 H SER A 69 69.053 -1.455 13.370 1.00 0.00 H new ATOM 0 HA SER A 69 68.067 1.187 12.992 1.00 0.00 H new ATOM 0 HB2 SER A 69 66.701 -0.854 13.613 1.00 0.00 H new ATOM 0 HB3 SER A 69 67.473 -0.863 15.187 1.00 0.00 H new ATOM 0 HG SER A 69 66.715 1.479 15.274 1.00 0.00 H new ATOM 1027 N SER A 70 70.412 1.138 14.946 1.00 0.00 N ATOM 1028 CA SER A 70 71.196 1.839 15.956 1.00 0.00 C ATOM 1029 C SER A 70 71.469 3.279 15.530 1.00 0.00 C ATOM 1030 O SER A 70 71.452 4.189 16.359 1.00 0.00 O ATOM 1031 CB SER A 70 72.521 1.108 16.181 1.00 0.00 C ATOM 1032 OG SER A 70 72.277 -0.078 16.924 1.00 0.00 O ATOM 0 H SER A 70 70.958 0.539 14.326 1.00 0.00 H new ATOM 0 HA SER A 70 70.625 1.856 16.884 1.00 0.00 H new ATOM 0 HB2 SER A 70 72.983 0.864 15.224 1.00 0.00 H new ATOM 0 HB3 SER A 70 73.219 1.751 16.717 1.00 0.00 H new ATOM 0 HG SER A 70 73.122 -0.552 17.070 1.00 0.00 H new ATOM 1038 N SER A 71 71.816 3.460 14.260 1.00 0.00 N ATOM 1039 CA SER A 71 72.142 4.785 13.745 1.00 0.00 C ATOM 1040 C SER A 71 73.562 5.177 14.143 1.00 0.00 C ATOM 1041 O SER A 71 73.835 6.342 14.431 1.00 0.00 O ATOM 1042 CB SER A 71 71.133 5.823 14.247 1.00 0.00 C ATOM 1043 OG SER A 71 69.861 5.206 14.381 1.00 0.00 O ATOM 0 H SER A 71 71.879 2.710 13.571 1.00 0.00 H new ATOM 0 HA SER A 71 72.086 4.755 12.657 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.457 6.230 15.205 1.00 0.00 H new ATOM 0 HB3 SER A 71 71.074 6.659 13.550 1.00 0.00 H new ATOM 0 HG SER A 71 69.211 5.864 14.704 1.00 0.00 H new ATOM 1049 N ASN A 72 74.418 4.173 14.316 1.00 0.00 N ATOM 1050 CA ASN A 72 75.780 4.402 14.789 1.00 0.00 C ATOM 1051 C ASN A 72 76.762 4.394 13.622 1.00 0.00 C ATOM 1052 O ASN A 72 77.737 5.145 13.614 1.00 0.00 O ATOM 1053 CB ASN A 72 76.171 3.320 15.800 1.00 0.00 C ATOM 1054 CG ASN A 72 77.308 3.809 16.693 1.00 0.00 C ATOM 1055 OD1 ASN A 72 78.419 3.282 16.634 1.00 0.00 O ATOM 1056 ND2 ASN A 72 77.102 4.807 17.508 1.00 0.00 N ATOM 0 H ASN A 72 74.193 3.195 14.136 1.00 0.00 H new ATOM 0 HA ASN A 72 75.818 5.379 15.271 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.308 3.056 16.411 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.477 2.416 15.274 1.00 0.00 H new ATOM 0 HD21 ASN A 72 77.861 5.150 18.096 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.182 5.244 17.557 1.00 0.00 H new ATOM 1063 N SER A 73 76.528 3.507 12.659 1.00 0.00 N ATOM 1064 CA SER A 73 77.387 3.461 11.479 1.00 0.00 C ATOM 1065 C SER A 73 76.761 2.587 10.394 1.00 0.00 C ATOM 1066 O SER A 73 76.068 1.624 10.721 1.00 0.00 O ATOM 1067 CB SER A 73 78.766 2.923 11.864 1.00 0.00 C ATOM 1068 OG SER A 73 78.640 1.597 12.355 1.00 0.00 O ATOM 0 H SER A 73 75.770 2.825 12.669 1.00 0.00 H new ATOM 0 HA SER A 73 77.496 4.471 11.084 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.429 2.940 10.999 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.217 3.561 12.623 1.00 0.00 H new ATOM 0 HG SER A 73 79.525 1.253 12.600 1.00 0.00 H new ATOM 1074 N ALA A 74 77.282 2.675 9.172 1.00 0.00 N ATOM 1075 CA ALA A 74 76.753 1.868 8.075 1.00 0.00 C ATOM 1076 C ALA A 74 77.749 0.769 7.720 1.00 0.00 C ATOM 1077 O ALA A 74 78.957 1.001 7.684 1.00 0.00 O ATOM 1078 CB ALA A 74 76.515 2.739 6.837 1.00 0.00 C ATOM 0 H ALA A 74 78.058 3.287 8.919 1.00 0.00 H new ATOM 0 HA ALA A 74 75.808 1.428 8.394 1.00 0.00 H new ATOM 0 HB1 ALA A 74 76.121 2.123 6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 74 75.798 3.524 7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.456 3.190 6.523 1.00 0.00 H new ATOM 1084 N SER A 75 77.230 -0.446 7.557 1.00 0.00 N ATOM 1085 CA SER A 75 78.086 -1.618 7.347 1.00 0.00 C ATOM 1086 C SER A 75 77.607 -2.518 6.209 1.00 0.00 C ATOM 1087 O SER A 75 76.400 -2.618 5.994 1.00 0.00 O ATOM 1088 CB SER A 75 78.139 -2.470 8.615 1.00 0.00 C ATOM 1089 OG SER A 75 78.385 -1.642 9.740 1.00 0.00 O ATOM 0 H SER A 75 76.230 -0.647 7.566 1.00 0.00 H new ATOM 0 HA SER A 75 79.068 -1.223 7.087 1.00 0.00 H new ATOM 0 HB2 SER A 75 77.198 -3.005 8.744 1.00 0.00 H new ATOM 0 HB3 SER A 75 78.923 -3.222 8.527 1.00 0.00 H new ATOM 0 HG SER A 75 78.417 -2.192 10.550 1.00 0.00 H new ATOM 1095 N LEU A 76 78.480 -2.673 5.218 1.00 0.00 N ATOM 1096 CA LEU A 76 78.351 -3.686 4.171 1.00 0.00 C ATOM 1097 C LEU A 76 79.039 -5.012 4.497 1.00 0.00 C ATOM 1098 O LEU A 76 80.215 -5.002 4.849 1.00 0.00 O ATOM 1099 CB LEU A 76 78.806 -3.092 2.835 1.00 0.00 C ATOM 1100 CG LEU A 76 79.292 -4.170 1.851 1.00 0.00 C ATOM 1101 CD1 LEU A 76 78.960 -3.739 0.418 1.00 0.00 C ATOM 1102 CD2 LEU A 76 80.807 -4.366 1.996 1.00 0.00 C ATOM 0 H LEU A 76 79.311 -2.090 5.117 1.00 0.00 H new ATOM 0 HA LEU A 76 77.297 -3.955 4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.981 -2.539 2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 76 79.609 -2.377 3.013 1.00 0.00 H new ATOM 0 HG LEU A 76 78.790 -5.112 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.304 -4.502 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 76 77.882 -3.613 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 76 79.458 -2.795 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.144 -5.131 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.318 -3.427 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 76 81.038 -4.679 3.014 1.00 0.00 H new ATOM 1114 N THR A 77 78.415 -6.137 4.151 1.00 0.00 N ATOM 1115 CA THR A 77 79.104 -7.428 4.101 1.00 0.00 C ATOM 1116 C THR A 77 79.365 -7.917 2.674 1.00 0.00 C ATOM 1117 O THR A 77 78.445 -8.216 1.916 1.00 0.00 O ATOM 1118 CB THR A 77 78.237 -8.441 4.848 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.149 -8.069 6.216 1.00 0.00 O ATOM 1120 CG2 THR A 77 78.826 -9.848 4.734 1.00 0.00 C ATOM 0 H THR A 77 77.427 -6.181 3.900 1.00 0.00 H new ATOM 0 HA THR A 77 80.084 -7.314 4.564 1.00 0.00 H new ATOM 0 HB THR A 77 77.243 -8.446 4.402 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.879 -7.453 6.435 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.193 -10.552 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 77 78.878 -10.137 3.684 1.00 0.00 H new ATOM 0 HG23 THR A 77 79.828 -9.859 5.163 1.00 0.00 H new ATOM 1128 N ILE A 78 80.613 -8.280 2.405 1.00 0.00 N ATOM 1129 CA ILE A 78 80.991 -8.933 1.151 1.00 0.00 C ATOM 1130 C ILE A 78 81.236 -10.419 1.399 1.00 0.00 C ATOM 1131 O ILE A 78 82.264 -10.802 1.957 1.00 0.00 O ATOM 1132 CB ILE A 78 82.234 -8.237 0.571 1.00 0.00 C ATOM 1133 CG1 ILE A 78 81.816 -7.106 -0.379 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.152 -9.208 -0.184 1.00 0.00 C ATOM 1135 CD1 ILE A 78 82.908 -6.036 -0.424 1.00 0.00 C ATOM 0 H ILE A 78 81.392 -8.132 3.046 1.00 0.00 H new ATOM 0 HA ILE A 78 80.185 -8.848 0.422 1.00 0.00 H new ATOM 0 HB ILE A 78 82.791 -7.835 1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 78 81.643 -7.504 -1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 78 80.877 -6.666 -0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 78 84.014 -8.666 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.492 -9.990 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.603 -9.659 -1.011 1.00 0.00 H new ATOM 0 HD11 ILE A 78 82.606 -5.236 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 78 83.060 -5.629 0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 78 83.838 -6.480 -0.780 1.00 0.00 H new ATOM 1147 N SER A 79 80.409 -11.246 0.766 1.00 0.00 N ATOM 1148 CA SER A 79 80.580 -12.694 0.822 1.00 0.00 C ATOM 1149 C SER A 79 81.290 -13.202 -0.429 1.00 0.00 C ATOM 1150 O SER A 79 80.846 -12.959 -1.550 1.00 0.00 O ATOM 1151 CB SER A 79 79.213 -13.371 0.957 1.00 0.00 C ATOM 1152 OG SER A 79 79.286 -14.704 0.475 1.00 0.00 O ATOM 0 H SER A 79 79.613 -10.938 0.208 1.00 0.00 H new ATOM 0 HA SER A 79 81.193 -12.939 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 79 78.898 -13.369 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 79 78.464 -12.812 0.396 1.00 0.00 H new ATOM 0 HG SER A 79 78.409 -15.133 0.565 1.00 0.00 H new ATOM 1158 N GLY A 80 82.358 -13.970 -0.229 1.00 0.00 N ATOM 1159 CA GLY A 80 83.121 -14.520 -1.345 1.00 0.00 C ATOM 1160 C GLY A 80 84.081 -13.489 -1.932 1.00 0.00 C ATOM 1161 O GLY A 80 83.865 -12.971 -3.027 1.00 0.00 O ATOM 0 H GLY A 80 82.713 -14.225 0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.683 -15.391 -1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 80 82.436 -14.863 -2.120 1.00 0.00 H new ATOM 1165 N LEU A 81 85.112 -13.158 -1.161 1.00 0.00 N ATOM 1166 CA LEU A 81 86.150 -12.234 -1.603 1.00 0.00 C ATOM 1167 C LEU A 81 87.235 -12.955 -2.398 1.00 0.00 C ATOM 1168 O LEU A 81 87.852 -13.898 -1.903 1.00 0.00 O ATOM 1169 CB LEU A 81 86.757 -11.560 -0.368 1.00 0.00 C ATOM 1170 CG LEU A 81 87.970 -10.693 -0.741 1.00 0.00 C ATOM 1171 CD1 LEU A 81 87.928 -9.355 0.001 1.00 0.00 C ATOM 1172 CD2 LEU A 81 89.282 -11.398 -0.389 1.00 0.00 C ATOM 0 H LEU A 81 85.251 -13.520 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 81 85.707 -11.487 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 81 86.002 -10.942 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 81 87.059 -12.321 0.352 1.00 0.00 H new ATOM 0 HG LEU A 81 87.924 -10.524 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 81 88.796 -8.757 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 81 87.017 -8.819 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.941 -9.535 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.123 -10.761 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 81 89.312 -11.596 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.347 -12.340 -0.934 1.00 0.00 H new ATOM 1184 N LYS A 82 87.535 -12.447 -3.591 1.00 0.00 N ATOM 1185 CA LYS A 82 88.604 -13.006 -4.415 1.00 0.00 C ATOM 1186 C LYS A 82 89.440 -11.894 -5.037 1.00 0.00 C ATOM 1187 O LYS A 82 89.095 -10.717 -4.940 1.00 0.00 O ATOM 1188 CB LYS A 82 88.010 -13.896 -5.516 1.00 0.00 C ATOM 1189 CG LYS A 82 88.309 -15.366 -5.217 1.00 0.00 C ATOM 1190 CD LYS A 82 87.656 -16.288 -6.249 1.00 0.00 C ATOM 1191 CE LYS A 82 86.130 -16.203 -6.164 1.00 0.00 C ATOM 1192 NZ LYS A 82 85.540 -17.437 -6.755 1.00 0.00 N ATOM 0 H LYS A 82 87.054 -11.650 -4.008 1.00 0.00 H new ATOM 0 HA LYS A 82 89.251 -13.610 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.933 -13.741 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 82 88.429 -13.620 -6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 82 89.387 -15.526 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 82 87.946 -15.618 -4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 82 87.985 -16.011 -7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 82 87.978 -17.316 -6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 82 85.816 -16.096 -5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 82 85.772 -15.322 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 84.503 -17.386 -6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 85.831 -17.519 -7.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 85.874 -18.269 -6.227 1.00 0.00 H new ATOM 1206 N THR A 83 90.401 -12.309 -5.856 1.00 0.00 N ATOM 1207 CA THR A 83 91.162 -11.358 -6.657 1.00 0.00 C ATOM 1208 C THR A 83 90.201 -10.402 -7.352 1.00 0.00 C ATOM 1209 O THR A 83 90.601 -9.341 -7.834 1.00 0.00 O ATOM 1210 CB THR A 83 92.034 -12.081 -7.689 1.00 0.00 C ATOM 1211 OG1 THR A 83 92.379 -11.176 -8.728 1.00 0.00 O ATOM 1212 CG2 THR A 83 91.274 -13.268 -8.285 1.00 0.00 C ATOM 0 H THR A 83 90.669 -13.285 -5.982 1.00 0.00 H new ATOM 0 HA THR A 83 91.824 -10.795 -5.999 1.00 0.00 H new ATOM 0 HB THR A 83 92.936 -12.446 -7.198 1.00 0.00 H new ATOM 0 HG1 THR A 83 92.938 -11.635 -9.389 1.00 0.00 H new ATOM 0 HG21 THR A 83 91.904 -13.773 -9.017 1.00 0.00 H new ATOM 0 HG22 THR A 83 91.009 -13.966 -7.491 1.00 0.00 H new ATOM 0 HG23 THR A 83 90.367 -12.911 -8.772 1.00 0.00 H new ATOM 1220 N GLU A 84 88.941 -10.819 -7.449 1.00 0.00 N ATOM 1221 CA GLU A 84 87.938 -9.963 -8.071 1.00 0.00 C ATOM 1222 C GLU A 84 87.682 -8.723 -7.223 1.00 0.00 C ATOM 1223 O GLU A 84 87.547 -7.619 -7.751 1.00 0.00 O ATOM 1224 CB GLU A 84 86.627 -10.729 -8.261 1.00 0.00 C ATOM 1225 CG GLU A 84 85.618 -9.871 -9.031 1.00 0.00 C ATOM 1226 CD GLU A 84 86.115 -9.623 -10.451 1.00 0.00 C ATOM 1227 OE1 GLU A 84 86.955 -10.381 -10.906 1.00 0.00 O ATOM 1228 OE2 GLU A 84 85.690 -8.645 -11.043 1.00 0.00 O ATOM 0 H GLU A 84 88.598 -11.719 -7.115 1.00 0.00 H new ATOM 0 HA GLU A 84 88.319 -9.653 -9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 84 86.815 -11.656 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 84 86.215 -11.005 -7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 84 84.650 -10.371 -9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 84 85.471 -8.921 -8.518 1.00 0.00 H new ATOM 1235 N ASP A 85 87.619 -8.904 -5.908 1.00 0.00 N ATOM 1236 CA ASP A 85 87.379 -7.776 -5.017 1.00 0.00 C ATOM 1237 C ASP A 85 88.587 -6.849 -5.010 1.00 0.00 C ATOM 1238 O ASP A 85 88.458 -5.647 -4.781 1.00 0.00 O ATOM 1239 CB ASP A 85 87.180 -8.299 -3.595 1.00 0.00 C ATOM 1240 CG ASP A 85 86.033 -9.302 -3.569 1.00 0.00 C ATOM 1241 OD1 ASP A 85 86.120 -10.283 -4.290 1.00 0.00 O ATOM 1242 OD2 ASP A 85 85.144 -9.135 -2.751 1.00 0.00 O ATOM 0 H ASP A 85 87.729 -9.805 -5.442 1.00 0.00 H new ATOM 0 HA ASP A 85 86.497 -7.236 -5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 85 88.096 -8.771 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 85 86.966 -7.471 -2.920 1.00 0.00 H new ATOM 1247 N GLU A 86 89.723 -7.382 -5.445 1.00 0.00 N ATOM 1248 CA GLU A 86 90.945 -6.589 -5.460 1.00 0.00 C ATOM 1249 C GLU A 86 90.688 -5.265 -6.166 1.00 0.00 C ATOM 1250 O GLU A 86 90.337 -5.240 -7.345 1.00 0.00 O ATOM 1251 CB GLU A 86 92.054 -7.340 -6.200 1.00 0.00 C ATOM 1252 CG GLU A 86 93.391 -6.628 -5.984 1.00 0.00 C ATOM 1253 CD GLU A 86 94.527 -7.494 -6.517 1.00 0.00 C ATOM 1254 OE1 GLU A 86 94.306 -8.679 -6.704 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.612 -6.966 -6.697 1.00 0.00 O ATOM 0 H GLU A 86 89.823 -8.338 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 86 91.256 -6.407 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.115 -8.367 -5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.825 -7.390 -7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 86 93.387 -5.664 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.540 -6.428 -4.923 1.00 0.00 H new ATOM 1262 N ALA A 87 90.908 -4.173 -5.443 1.00 0.00 N ATOM 1263 CA ALA A 87 90.738 -2.838 -6.001 1.00 0.00 C ATOM 1264 C ALA A 87 90.541 -1.838 -4.866 1.00 0.00 C ATOM 1265 O ALA A 87 90.676 -2.184 -3.692 1.00 0.00 O ATOM 1266 CB ALA A 87 89.539 -2.790 -6.954 1.00 0.00 C ATOM 0 H ALA A 87 91.205 -4.187 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 87 91.632 -2.580 -6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.434 -1.782 -7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.696 -3.493 -7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.633 -3.060 -6.412 1.00 0.00 H new ATOM 1272 N ASP A 88 90.255 -0.591 -5.227 1.00 0.00 N ATOM 1273 CA ASP A 88 89.966 0.438 -4.234 1.00 0.00 C ATOM 1274 C ASP A 88 88.461 0.555 -4.019 1.00 0.00 C ATOM 1275 O ASP A 88 87.679 0.443 -4.964 1.00 0.00 O ATOM 1276 CB ASP A 88 90.537 1.778 -4.700 1.00 0.00 C ATOM 1277 CG ASP A 88 91.906 1.566 -5.338 1.00 0.00 C ATOM 1278 OD1 ASP A 88 92.741 0.936 -4.709 1.00 0.00 O ATOM 1279 OD2 ASP A 88 92.097 2.038 -6.447 1.00 0.00 O ATOM 0 H ASP A 88 90.217 -0.270 -6.194 1.00 0.00 H new ATOM 0 HA ASP A 88 90.431 0.161 -3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 88 89.860 2.242 -5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 88 90.622 2.461 -3.854 1.00 0.00 H new ATOM 1284 N TYR A 89 88.057 0.811 -2.778 1.00 0.00 N ATOM 1285 CA TYR A 89 86.641 0.907 -2.433 1.00 0.00 C ATOM 1286 C TYR A 89 86.310 2.318 -1.960 1.00 0.00 C ATOM 1287 O TYR A 89 87.049 2.897 -1.166 1.00 0.00 O ATOM 1288 CB TYR A 89 86.314 -0.094 -1.322 1.00 0.00 C ATOM 1289 CG TYR A 89 86.296 -1.494 -1.891 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.477 -2.068 -2.379 1.00 0.00 C ATOM 1291 CD2 TYR A 89 85.094 -2.210 -1.951 1.00 0.00 C ATOM 1292 CE1 TYR A 89 87.455 -3.346 -2.949 1.00 0.00 C ATOM 1293 CE2 TYR A 89 85.082 -3.504 -2.483 1.00 0.00 C ATOM 1294 CZ TYR A 89 86.256 -4.066 -2.996 1.00 0.00 C ATOM 1295 OH TYR A 89 86.238 -5.343 -3.515 1.00 0.00 O ATOM 0 H TYR A 89 88.691 0.956 -1.993 1.00 0.00 H new ATOM 0 HA TYR A 89 86.045 0.679 -3.317 1.00 0.00 H new ATOM 0 HB2 TYR A 89 87.055 -0.024 -0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.346 0.142 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.407 -1.523 -2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 89 84.179 -1.765 -1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 89 88.361 -3.775 -3.351 1.00 0.00 H new ATOM 0 HE2 TYR A 89 84.163 -4.071 -2.498 1.00 0.00 H new ATOM 0 HH TYR A 89 86.834 -5.389 -4.291 1.00 0.00 H new ATOM 1305 N TYR A 90 85.152 2.819 -2.381 1.00 0.00 N ATOM 1306 CA TYR A 90 84.691 4.150 -1.997 1.00 0.00 C ATOM 1307 C TYR A 90 83.201 4.131 -1.661 1.00 0.00 C ATOM 1308 O TYR A 90 82.421 3.476 -2.352 1.00 0.00 O ATOM 1309 CB TYR A 90 84.974 5.136 -3.134 1.00 0.00 C ATOM 1310 CG TYR A 90 86.448 5.470 -3.190 1.00 0.00 C ATOM 1311 CD1 TYR A 90 87.338 4.638 -3.881 1.00 0.00 C ATOM 1312 CD2 TYR A 90 86.900 6.694 -2.682 1.00 0.00 C ATOM 1313 CE1 TYR A 90 88.703 4.950 -3.909 1.00 0.00 C ATOM 1314 CE2 TYR A 90 88.263 7.009 -2.710 1.00 0.00 C ATOM 1315 CZ TYR A 90 89.168 6.130 -3.315 1.00 0.00 C ATOM 1316 OH TYR A 90 90.507 6.458 -3.384 1.00 0.00 O ATOM 0 H TYR A 90 84.510 2.317 -2.994 1.00 0.00 H new ATOM 0 HA TYR A 90 85.230 4.468 -1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 90 84.656 4.706 -4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 90 84.394 6.047 -2.986 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.973 3.759 -4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 90 86.194 7.398 -2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 90 89.399 4.279 -4.390 1.00 0.00 H new ATOM 0 HE2 TYR A 90 88.616 7.928 -2.266 1.00 0.00 H new ATOM 0 HH TYR A 90 90.660 7.309 -2.922 1.00 0.00 H new ATOM 1326 N CYS A 91 82.804 4.905 -0.648 1.00 0.00 N ATOM 1327 CA CYS A 91 81.396 5.025 -0.267 1.00 0.00 C ATOM 1328 C CYS A 91 80.968 6.491 -0.348 1.00 0.00 C ATOM 1329 O CYS A 91 81.729 7.382 0.026 1.00 0.00 O ATOM 1330 CB CYS A 91 81.100 4.399 1.115 1.00 0.00 C ATOM 1331 SG CYS A 91 82.236 4.843 2.468 1.00 0.00 S ATOM 0 H CYS A 91 83.441 5.459 -0.076 1.00 0.00 H new ATOM 0 HA CYS A 91 80.798 4.450 -0.975 1.00 0.00 H new ATOM 0 HB2 CYS A 91 80.090 4.685 1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 91 81.106 3.314 1.007 1.00 0.00 H new ATOM 1336 N GLN A 92 79.750 6.751 -0.831 1.00 0.00 N ATOM 1337 CA GLN A 92 79.231 8.115 -0.936 1.00 0.00 C ATOM 1338 C GLN A 92 77.905 8.240 -0.193 1.00 0.00 C ATOM 1339 O GLN A 92 77.091 7.318 -0.212 1.00 0.00 O ATOM 1340 CB GLN A 92 78.997 8.530 -2.392 1.00 0.00 C ATOM 1341 CG GLN A 92 80.286 8.398 -3.208 1.00 0.00 C ATOM 1342 CD GLN A 92 80.227 9.268 -4.460 1.00 0.00 C ATOM 1343 OE1 GLN A 92 79.174 9.811 -4.796 1.00 0.00 O ATOM 1344 NE2 GLN A 92 81.335 9.562 -5.083 1.00 0.00 N ATOM 0 H GLN A 92 79.104 6.032 -1.156 1.00 0.00 H new ATOM 0 HA GLN A 92 79.984 8.768 -0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 92 78.217 7.908 -2.832 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.642 9.560 -2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.140 8.690 -2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 92 80.438 7.356 -3.491 1.00 0.00 H new ATOM 0 HE21 GLN A 92 82.209 9.114 -4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 92 81.327 10.240 -5.845 1.00 0.00 H new ATOM 1353 N SER A 93 77.815 9.244 0.676 1.00 0.00 N ATOM 1354 CA SER A 93 76.625 9.442 1.501 1.00 0.00 C ATOM 1355 C SER A 93 76.237 10.916 1.497 1.00 0.00 C ATOM 1356 O SER A 93 77.019 11.759 1.063 1.00 0.00 O ATOM 1357 CB SER A 93 76.923 8.990 2.934 1.00 0.00 C ATOM 1358 OG SER A 93 78.327 9.058 3.131 1.00 0.00 O ATOM 0 H SER A 93 78.552 9.933 0.827 1.00 0.00 H new ATOM 0 HA SER A 93 75.800 8.855 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 93 76.406 9.628 3.650 1.00 0.00 H new ATOM 0 HB3 SER A 93 76.564 7.974 3.096 1.00 0.00 H new ATOM 0 HG SER A 93 78.734 8.201 2.886 1.00 0.00 H new ATOM 1364 N TYR A 94 74.966 11.204 1.752 1.00 0.00 N ATOM 1365 CA TYR A 94 74.548 12.596 1.852 1.00 0.00 C ATOM 1366 C TYR A 94 73.239 12.724 2.624 1.00 0.00 C ATOM 1367 O TYR A 94 72.287 11.986 2.374 1.00 0.00 O ATOM 1368 CB TYR A 94 74.448 13.170 0.435 1.00 0.00 C ATOM 1369 CG TYR A 94 73.953 12.103 -0.518 1.00 0.00 C ATOM 1370 CD1 TYR A 94 72.584 11.832 -0.627 1.00 0.00 C ATOM 1371 CD2 TYR A 94 74.877 11.263 -1.154 1.00 0.00 C ATOM 1372 CE1 TYR A 94 72.137 10.819 -1.485 1.00 0.00 C ATOM 1373 CE2 TYR A 94 74.431 10.239 -1.997 1.00 0.00 C ATOM 1374 CZ TYR A 94 73.061 9.998 -2.142 1.00 0.00 C ATOM 1375 OH TYR A 94 72.625 8.992 -2.978 1.00 0.00 O ATOM 0 H TYR A 94 74.227 10.515 1.890 1.00 0.00 H new ATOM 0 HA TYR A 94 75.284 13.170 2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 94 73.769 14.022 0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 94 75.423 13.535 0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 94 71.873 12.404 -0.050 1.00 0.00 H new ATOM 0 HD2 TYR A 94 75.935 11.406 -0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 94 71.078 10.671 -1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 94 75.145 9.634 -2.536 1.00 0.00 H new ATOM 0 HH TYR A 94 71.672 8.827 -2.822 1.00 0.00 H new ATOM 1385 N ASP A 95 73.223 13.632 3.596 1.00 0.00 N ATOM 1386 CA ASP A 95 72.026 13.909 4.382 1.00 0.00 C ATOM 1387 C ASP A 95 71.199 15.011 3.727 1.00 0.00 C ATOM 1388 O ASP A 95 71.113 15.088 2.501 1.00 0.00 O ATOM 1389 CB ASP A 95 72.436 14.344 5.791 1.00 0.00 C ATOM 1390 CG ASP A 95 73.332 13.283 6.420 1.00 0.00 C ATOM 1391 OD1 ASP A 95 73.534 12.259 5.791 1.00 0.00 O ATOM 1392 OD2 ASP A 95 73.893 13.561 7.467 1.00 0.00 O ATOM 0 H ASP A 95 74.034 14.192 3.859 1.00 0.00 H new ATOM 0 HA ASP A 95 71.421 13.004 4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 95 72.962 15.298 5.748 1.00 0.00 H new ATOM 0 HB3 ASP A 95 71.550 14.496 6.407 1.00 0.00 H new ATOM 1397 N SER A 96 70.488 15.778 4.547 1.00 0.00 N ATOM 1398 CA SER A 96 69.634 16.843 4.033 1.00 0.00 C ATOM 1399 C SER A 96 70.475 17.966 3.435 1.00 0.00 C ATOM 1400 O SER A 96 70.127 18.528 2.398 1.00 0.00 O ATOM 1401 CB SER A 96 68.747 17.374 5.163 1.00 0.00 C ATOM 1402 OG SER A 96 67.470 16.758 5.078 1.00 0.00 O ATOM 0 H SER A 96 70.486 15.684 5.563 1.00 0.00 H new ATOM 0 HA SER A 96 69.001 16.443 3.241 1.00 0.00 H new ATOM 0 HB2 SER A 96 69.203 17.163 6.130 1.00 0.00 H new ATOM 0 HB3 SER A 96 68.648 18.457 5.087 1.00 0.00 H new ATOM 0 HG SER A 96 66.897 17.092 5.800 1.00 0.00 H new ATOM 1408 N SER A 97 71.561 18.323 4.115 1.00 0.00 N ATOM 1409 CA SER A 97 72.393 19.445 3.690 1.00 0.00 C ATOM 1410 C SER A 97 73.713 18.951 3.104 1.00 0.00 C ATOM 1411 O SER A 97 74.774 19.513 3.379 1.00 0.00 O ATOM 1412 CB SER A 97 72.687 20.362 4.879 1.00 0.00 C ATOM 1413 OG SER A 97 71.480 20.963 5.320 1.00 0.00 O ATOM 0 H SER A 97 71.885 17.853 4.960 1.00 0.00 H new ATOM 0 HA SER A 97 71.848 19.997 2.924 1.00 0.00 H new ATOM 0 HB2 SER A 97 73.139 19.791 5.690 1.00 0.00 H new ATOM 0 HB3 SER A 97 73.405 21.130 4.591 1.00 0.00 H new ATOM 0 HG SER A 97 71.666 21.549 6.083 1.00 0.00 H new ATOM 1419 N ASN A 98 73.653 17.847 2.363 1.00 0.00 N ATOM 1420 CA ASN A 98 74.853 17.238 1.795 1.00 0.00 C ATOM 1421 C ASN A 98 74.728 17.069 0.284 1.00 0.00 C ATOM 1422 O ASN A 98 75.542 17.584 -0.485 1.00 0.00 O ATOM 1423 CB ASN A 98 75.070 15.865 2.426 1.00 0.00 C ATOM 1424 CG ASN A 98 75.410 16.010 3.905 1.00 0.00 C ATOM 1425 OD1 ASN A 98 76.422 15.483 4.368 1.00 0.00 O ATOM 1426 ND2 ASN A 98 74.606 16.680 4.684 1.00 0.00 N ATOM 0 H ASN A 98 72.787 17.356 2.142 1.00 0.00 H new ATOM 0 HA ASN A 98 75.697 17.896 2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 98 74.172 15.258 2.310 1.00 0.00 H new ATOM 0 HB3 ASN A 98 75.876 15.343 1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 98 74.815 16.768 5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 98 73.768 17.116 4.299 1.00 0.00 H new ATOM 1433 N HIS A 99 73.704 16.329 -0.128 1.00 0.00 N ATOM 1434 CA HIS A 99 73.461 16.055 -1.539 1.00 0.00 C ATOM 1435 C HIS A 99 74.616 15.287 -2.178 1.00 0.00 C ATOM 1436 O HIS A 99 74.429 14.728 -3.257 1.00 0.00 O ATOM 1437 CB HIS A 99 73.227 17.371 -2.296 1.00 0.00 C ATOM 1438 CG HIS A 99 71.758 17.620 -2.499 1.00 0.00 C ATOM 1439 ND1 HIS A 99 70.800 17.105 -1.642 1.00 0.00 N ATOM 1440 CD2 HIS A 99 71.069 18.268 -3.497 1.00 0.00 C ATOM 1441 CE1 HIS A 99 69.598 17.438 -2.139 1.00 0.00 C ATOM 1442 NE2 HIS A 99 69.700 18.176 -3.248 1.00 0.00 N ATOM 0 H HIS A 99 73.023 15.905 0.502 1.00 0.00 H new ATOM 0 HA HIS A 99 72.571 15.429 -1.604 1.00 0.00 H new ATOM 0 HB2 HIS A 99 73.667 18.199 -1.739 1.00 0.00 H new ATOM 0 HB3 HIS A 99 73.730 17.334 -3.262 1.00 0.00 H new ATOM 0 HD2 HIS A 99 71.518 18.770 -4.342 1.00 0.00 H new ATOM 0 HE1 HIS A 99 68.659 17.144 -1.694 1.00 0.00 H new ATOM 0 HE2 HIS A 99 68.941 18.584 -3.794 1.00 0.00 H new ATOM 1450 N VAL A 100 75.742 15.153 -1.482 1.00 0.00 N ATOM 1451 CA VAL A 100 76.881 14.395 -1.999 1.00 0.00 C ATOM 1452 C VAL A 100 78.090 14.565 -1.079 1.00 0.00 C ATOM 1453 O VAL A 100 78.656 15.655 -0.991 1.00 0.00 O ATOM 1454 CB VAL A 100 77.232 14.828 -3.433 1.00 0.00 C ATOM 1455 CG1 VAL A 100 76.543 13.958 -4.501 1.00 0.00 C ATOM 1456 CG2 VAL A 100 76.889 16.313 -3.640 1.00 0.00 C ATOM 0 H VAL A 100 75.891 15.559 -0.558 1.00 0.00 H new ATOM 0 HA VAL A 100 76.603 13.341 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 100 78.305 14.686 -3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 100 76.826 14.308 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 100 76.853 12.920 -4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 100 75.461 14.029 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 100 77.142 16.606 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 100 75.823 16.467 -3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 100 77.458 16.920 -2.936 1.00 0.00 H new ATOM 1466 N VAL A 101 78.614 13.446 -0.579 1.00 0.00 N ATOM 1467 CA VAL A 101 79.846 13.449 0.208 1.00 0.00 C ATOM 1468 C VAL A 101 80.692 12.227 -0.138 1.00 0.00 C ATOM 1469 O VAL A 101 80.175 11.253 -0.683 1.00 0.00 O ATOM 1470 CB VAL A 101 79.545 13.516 1.714 1.00 0.00 C ATOM 1471 CG1 VAL A 101 78.294 14.375 1.920 1.00 0.00 C ATOM 1472 CG2 VAL A 101 79.360 12.134 2.364 1.00 0.00 C ATOM 0 H VAL A 101 78.202 12.522 -0.706 1.00 0.00 H new ATOM 0 HA VAL A 101 80.416 14.343 -0.045 1.00 0.00 H new ATOM 0 HB VAL A 101 80.410 13.960 2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 101 78.064 14.434 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 101 78.473 15.377 1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 101 77.453 13.926 1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 101 79.151 12.257 3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 101 78.527 11.616 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 101 80.271 11.548 2.239 1.00 0.00 H new ATOM 1482 N PHE A 102 81.907 12.180 0.402 1.00 0.00 N ATOM 1483 CA PHE A 102 82.794 11.038 0.205 1.00 0.00 C ATOM 1484 C PHE A 102 83.000 10.306 1.524 1.00 0.00 C ATOM 1485 O PHE A 102 83.060 10.915 2.592 1.00 0.00 O ATOM 1486 CB PHE A 102 84.147 11.510 -0.335 1.00 0.00 C ATOM 1487 CG PHE A 102 84.479 12.855 0.263 1.00 0.00 C ATOM 1488 CD1 PHE A 102 83.854 14.002 -0.237 1.00 0.00 C ATOM 1489 CD2 PHE A 102 85.400 12.959 1.313 1.00 0.00 C ATOM 1490 CE1 PHE A 102 84.141 15.255 0.318 1.00 0.00 C ATOM 1491 CE2 PHE A 102 85.677 14.210 1.879 1.00 0.00 C ATOM 1492 CZ PHE A 102 85.084 15.362 1.347 1.00 0.00 C ATOM 0 H PHE A 102 82.300 12.922 0.981 1.00 0.00 H new ATOM 0 HA PHE A 102 82.337 10.360 -0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 102 84.923 10.787 -0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 102 84.113 11.580 -1.422 1.00 0.00 H new ATOM 0 HD1 PHE A 102 83.150 13.921 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 102 85.896 12.075 1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 102 83.636 16.137 -0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 102 86.346 14.286 2.723 1.00 0.00 H new ATOM 0 HZ PHE A 102 85.355 16.334 1.731 1.00 0.00 H new ATOM 1502 N GLY A 103 83.100 8.984 1.440 1.00 0.00 N ATOM 1503 CA GLY A 103 83.223 8.173 2.644 1.00 0.00 C ATOM 1504 C GLY A 103 84.656 7.697 2.852 1.00 0.00 C ATOM 1505 O GLY A 103 84.895 6.674 3.491 1.00 0.00 O ATOM 0 H GLY A 103 83.098 8.459 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 103 82.902 8.753 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 103 82.559 7.312 2.573 1.00 0.00 H new ATOM 1509 N GLY A 104 85.614 8.468 2.349 1.00 0.00 N ATOM 1510 CA GLY A 104 87.015 8.154 2.598 1.00 0.00 C ATOM 1511 C GLY A 104 87.331 6.723 2.176 1.00 0.00 C ATOM 1512 O GLY A 104 87.607 5.862 3.010 1.00 0.00 O ATOM 0 H GLY A 104 85.452 9.298 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 104 87.651 8.849 2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 104 87.239 8.284 3.657 1.00 0.00 H new ATOM 1516 N GLY A 105 87.193 6.452 0.884 1.00 0.00 N ATOM 1517 CA GLY A 105 87.322 5.082 0.404 1.00 0.00 C ATOM 1518 C GLY A 105 88.612 4.435 0.894 1.00 0.00 C ATOM 1519 O GLY A 105 89.634 5.104 1.050 1.00 0.00 O ATOM 0 H GLY A 105 86.996 7.146 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 105 86.468 4.495 0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 105 87.301 5.074 -0.686 1.00 0.00 H new ATOM 1523 N THR A 106 88.563 3.118 1.079 1.00 0.00 N ATOM 1524 CA THR A 106 89.694 2.362 1.610 1.00 0.00 C ATOM 1525 C THR A 106 90.282 1.465 0.526 1.00 0.00 C ATOM 1526 O THR A 106 89.556 0.941 -0.319 1.00 0.00 O ATOM 1527 CB THR A 106 89.229 1.496 2.783 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.764 2.330 3.833 1.00 0.00 O ATOM 1529 CG2 THR A 106 90.397 0.649 3.291 1.00 0.00 C ATOM 0 H THR A 106 87.744 2.548 0.867 1.00 0.00 H new ATOM 0 HA THR A 106 90.457 3.063 1.949 1.00 0.00 H new ATOM 0 HB THR A 106 88.423 0.842 2.450 1.00 0.00 H new ATOM 0 HG1 THR A 106 89.492 2.912 4.136 1.00 0.00 H new ATOM 0 HG21 THR A 106 90.064 0.033 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 106 90.757 0.007 2.487 1.00 0.00 H new ATOM 0 HG23 THR A 106 91.204 1.303 3.622 1.00 0.00 H new ATOM 1537 N LYS A 107 91.606 1.351 0.508 1.00 0.00 N ATOM 1538 CA LYS A 107 92.274 0.483 -0.457 1.00 0.00 C ATOM 1539 C LYS A 107 92.252 -0.965 0.022 1.00 0.00 C ATOM 1540 O LYS A 107 92.768 -1.276 1.096 1.00 0.00 O ATOM 1541 CB LYS A 107 93.725 0.927 -0.652 1.00 0.00 C ATOM 1542 CG LYS A 107 93.756 2.328 -1.266 1.00 0.00 C ATOM 1543 CD LYS A 107 95.210 2.761 -1.471 1.00 0.00 C ATOM 1544 CE LYS A 107 95.909 3.002 -0.129 1.00 0.00 C ATOM 1545 NZ LYS A 107 94.966 3.621 0.844 1.00 0.00 N ATOM 0 H LYS A 107 92.233 1.843 1.144 1.00 0.00 H new ATOM 0 HA LYS A 107 91.741 0.555 -1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 107 94.247 0.927 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.247 0.223 -1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 107 93.226 2.331 -2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 107 93.243 3.035 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 107 95.745 1.994 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 107 95.240 3.672 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 107 96.283 2.058 0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 107 96.772 3.652 -0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 95.496 4.222 1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 94.270 4.200 0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 94.473 2.874 1.373 1.00 0.00 H new ATOM 1559 N LEU A 108 91.713 -1.857 -0.806 1.00 0.00 N ATOM 1560 CA LEU A 108 91.645 -3.277 -0.472 1.00 0.00 C ATOM 1561 C LEU A 108 92.525 -4.091 -1.413 1.00 0.00 C ATOM 1562 O LEU A 108 92.460 -3.926 -2.631 1.00 0.00 O ATOM 1563 CB LEU A 108 90.200 -3.774 -0.568 1.00 0.00 C ATOM 1564 CG LEU A 108 90.109 -5.280 -0.291 1.00 0.00 C ATOM 1565 CD1 LEU A 108 90.787 -5.629 1.038 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.639 -5.714 -0.253 1.00 0.00 C ATOM 0 H LEU A 108 91.316 -1.620 -1.715 1.00 0.00 H new ATOM 0 HA LEU A 108 92.004 -3.405 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.579 -3.233 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.805 -3.560 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 108 90.624 -5.810 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 108 90.711 -6.702 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.838 -5.342 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 108 90.296 -5.092 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 108 88.581 -6.784 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.120 -5.171 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.170 -5.496 -1.213 1.00 0.00 H new ATOM 1578 N THR A 109 93.370 -4.943 -0.838 1.00 0.00 N ATOM 1579 CA THR A 109 94.273 -5.782 -1.620 1.00 0.00 C ATOM 1580 C THR A 109 94.061 -7.253 -1.279 1.00 0.00 C ATOM 1581 O THR A 109 94.198 -7.661 -0.126 1.00 0.00 O ATOM 1582 CB THR A 109 95.721 -5.388 -1.321 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.900 -4.007 -1.603 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.683 -6.203 -2.188 1.00 0.00 C ATOM 0 H THR A 109 93.448 -5.071 0.171 1.00 0.00 H new ATOM 0 HA THR A 109 94.064 -5.635 -2.680 1.00 0.00 H new ATOM 0 HB THR A 109 95.931 -5.587 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.826 -3.751 -1.411 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.709 -5.912 -1.965 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.553 -7.264 -1.977 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.473 -6.014 -3.241 1.00 0.00 H new ATOM 1592 N VAL A 110 93.722 -8.045 -2.291 1.00 0.00 N ATOM 1593 CA VAL A 110 93.530 -9.476 -2.091 1.00 0.00 C ATOM 1594 C VAL A 110 94.879 -10.184 -2.156 1.00 0.00 C ATOM 1595 O VAL A 110 95.320 -10.583 -3.233 1.00 0.00 O ATOM 1596 CB VAL A 110 92.595 -10.028 -3.172 1.00 0.00 C ATOM 1597 CG1 VAL A 110 92.269 -11.504 -2.915 1.00 0.00 C ATOM 1598 CG2 VAL A 110 91.294 -9.217 -3.210 1.00 0.00 C ATOM 0 H VAL A 110 93.576 -7.724 -3.248 1.00 0.00 H new ATOM 0 HA VAL A 110 93.081 -9.650 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 110 93.105 -9.945 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.604 -11.871 -3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.190 -12.086 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.781 -11.605 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.637 -9.618 -3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.797 -9.281 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.521 -8.175 -3.433 1.00 0.00 H new ATOM 1608 N LEU A 111 95.464 -10.435 -0.987 1.00 0.00 N ATOM 1609 CA LEU A 111 96.752 -11.114 -0.893 1.00 0.00 C ATOM 1610 C LEU A 111 96.906 -12.184 -1.969 1.00 0.00 C ATOM 1611 O LEU A 111 96.426 -13.284 -1.751 1.00 0.00 O ATOM 1612 CB LEU A 111 96.880 -11.768 0.487 1.00 0.00 C ATOM 1613 CG LEU A 111 97.065 -10.698 1.572 1.00 0.00 C ATOM 1614 CD1 LEU A 111 96.405 -11.152 2.878 1.00 0.00 C ATOM 1615 CD2 LEU A 111 98.554 -10.439 1.819 1.00 0.00 C ATOM 1616 OXT LEU A 111 97.403 -11.852 -3.032 1.00 0.00 O ATOM 0 H LEU A 111 95.062 -10.176 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 111 97.535 -10.370 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 111 95.990 -12.360 0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.728 -12.453 0.495 1.00 0.00 H new ATOM 0 HG LEU A 111 96.594 -9.777 1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 111 96.542 -10.385 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 111 95.340 -11.311 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 111 96.863 -12.083 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 111 98.668 -9.678 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 111 99.035 -11.361 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 111 99.021 -10.093 0.897 1.00 0.00 H new TER 1628 LEU A 111