USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 673 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 46 CYS SG : rot 44:sc= 1.19 USER MOD Set 1.2: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 51 HIS : no HD1:sc= -4.69! C(o=-5.7!,f=-6.4!) USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.991 K(o=-5.7,f=-6.4) USER MOD Set 3.1: A 10 THR OG1 : rot 101:sc= -2.61 USER MOD Set 3.2: A 81 MET CE :methyl -125:sc= -5.23 (180deg=-9.43!) USER MOD Set 4.1: A 6 SER OG : rot 130:sc= -0.539 USER MOD Set 4.2: A 57 MET CE :methyl 160:sc= -6.27! (180deg=-5.13!) USER MOD Single : A 1 MET CE :methyl -175:sc= -0.336 (180deg=-0.388) USER MOD Single : A 1 MET N :NH3+ 179:sc= -1.2 (180deg=-1.24) USER MOD Single : A 4 SER OG : rot 122:sc= 0.311 USER MOD Single : A 5 THR OG1 : rot 12:sc= 0.373 USER MOD Single : A 7 HIS : no HD1:sc= -0.727 K(o=-0.73,f=0) USER MOD Single : A 12 SER OG : rot -63:sc= 1.06 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -5.26! C(o=-5.3!,f=-4.1!) USER MOD Single : A 21 CYS SG : rot -113:sc= -0.738 USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00988) USER MOD Single : A 23 HIS : no HD1:sc= -0.262 K(o=-0.26,f=-1) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -14:sc= 0.637 USER MOD Single : A 45 ASN : amide:sc= -4.26! K(o=-4.3!,f=-3.2) USER MOD Single : A 60 ASN : amide:sc= -2.21 K(o=-2.2,f=-8.8!) USER MOD Single : A 61 SER OG : rot -67:sc= -6.77! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -0.0361 K(o=-0.036,f=-3.1!) USER MOD Single : A 71 GLN : amide:sc= -1.28! C(o=-1.3!,f=-3.2!) USER MOD Single : A 72 ASN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -3.09 K(o=-3.1,f=-4.3!) USER MOD Single : A 79 GLN : amide:sc= -2.05 K(o=-2.1,f=-4!) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.429 15.274 -5.768 1.00 0.00 N ATOM 2 CA MET A 1 6.938 14.351 -4.707 1.00 0.00 C ATOM 3 C MET A 1 5.505 14.678 -4.302 1.00 0.00 C ATOM 4 O MET A 1 5.249 15.500 -3.423 1.00 0.00 O ATOM 5 CB MET A 1 7.889 14.415 -3.507 1.00 0.00 C ATOM 6 CG MET A 1 7.871 15.741 -2.762 1.00 0.00 C ATOM 7 SD MET A 1 7.877 15.531 -0.969 1.00 0.00 S ATOM 8 CE MET A 1 6.121 15.446 -0.632 1.00 0.00 C ATOM 0 H1 MET A 1 8.412 15.035 -6.008 1.00 0.00 H new ATOM 0 H2 MET A 1 6.833 15.178 -6.615 1.00 0.00 H new ATOM 0 H3 MET A 1 7.386 16.254 -5.423 1.00 0.00 H new ATOM 0 HA MET A 1 6.926 13.334 -5.098 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.630 13.617 -2.811 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.904 14.220 -3.852 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.738 16.331 -3.058 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.986 16.306 -3.055 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.959 15.406 0.445 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.629 16.329 -1.040 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.704 14.552 -1.095 1.00 0.00 H new ATOM 17 N PHE A 2 4.575 14.004 -4.957 1.00 0.00 N ATOM 18 CA PHE A 2 3.149 14.180 -4.692 1.00 0.00 C ATOM 19 C PHE A 2 2.675 13.069 -3.761 1.00 0.00 C ATOM 20 O PHE A 2 3.422 12.124 -3.504 1.00 0.00 O ATOM 21 CB PHE A 2 2.347 14.169 -6.003 1.00 0.00 C ATOM 22 CG PHE A 2 3.156 14.521 -7.221 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.659 15.802 -7.388 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.406 13.574 -8.202 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.395 16.131 -8.510 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.142 13.899 -9.324 1.00 0.00 C ATOM 27 CZ PHE A 2 4.637 15.179 -9.479 1.00 0.00 C ATOM 0 H PHE A 2 4.781 13.321 -5.686 1.00 0.00 H new ATOM 0 HA PHE A 2 2.987 15.146 -4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.913 13.179 -6.142 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.518 14.871 -5.915 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.473 16.551 -6.633 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.021 12.571 -8.087 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.781 17.133 -8.629 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.331 13.152 -10.081 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.212 15.434 -10.357 1.00 0.00 H new ATOM 37 N ARG A 3 1.450 13.163 -3.244 1.00 0.00 N ATOM 38 CA ARG A 3 0.962 12.122 -2.345 1.00 0.00 C ATOM 39 C ARG A 3 -0.554 11.921 -2.437 1.00 0.00 C ATOM 40 O ARG A 3 -1.333 12.855 -2.245 1.00 0.00 O ATOM 41 CB ARG A 3 1.368 12.414 -0.891 1.00 0.00 C ATOM 42 CG ARG A 3 2.155 11.279 -0.260 1.00 0.00 C ATOM 43 CD ARG A 3 3.634 11.613 -0.132 1.00 0.00 C ATOM 44 NE ARG A 3 4.102 11.502 1.248 1.00 0.00 N ATOM 45 CZ ARG A 3 3.736 12.330 2.224 1.00 0.00 C ATOM 46 NH1 ARG A 3 2.902 13.332 1.974 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.206 12.158 3.451 1.00 0.00 N ATOM 0 H ARG A 3 0.796 13.925 -3.425 1.00 0.00 H new ATOM 0 HA ARG A 3 1.432 11.194 -2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.966 13.325 -0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.472 12.602 -0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.746 11.059 0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.038 10.378 -0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.213 10.942 -0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.810 12.626 -0.494 1.00 0.00 H new ATOM 0 HE ARG A 3 4.747 10.746 1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.539 13.470 1.031 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.624 13.964 2.725 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.849 11.391 3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 3 3.925 12.793 4.198 1.00 0.00 H new ATOM 61 N SER A 4 -0.950 10.675 -2.707 1.00 0.00 N ATOM 62 CA SER A 4 -2.354 10.286 -2.807 1.00 0.00 C ATOM 63 C SER A 4 -2.677 9.304 -1.690 1.00 0.00 C ATOM 64 O SER A 4 -1.768 8.743 -1.077 1.00 0.00 O ATOM 65 CB SER A 4 -2.633 9.633 -4.168 1.00 0.00 C ATOM 66 OG SER A 4 -3.624 8.624 -4.063 1.00 0.00 O ATOM 0 H SER A 4 -0.300 9.905 -2.863 1.00 0.00 H new ATOM 0 HA SER A 4 -2.980 11.173 -2.714 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.959 10.393 -4.878 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.713 9.202 -4.562 1.00 0.00 H new ATOM 0 HG SER A 4 -4.374 8.839 -4.656 1.00 0.00 H new ATOM 72 N THR A 5 -3.959 9.081 -1.419 1.00 0.00 N ATOM 73 CA THR A 5 -4.330 8.148 -0.363 1.00 0.00 C ATOM 74 C THR A 5 -5.616 7.389 -0.676 1.00 0.00 C ATOM 75 O THR A 5 -6.657 7.988 -0.944 1.00 0.00 O ATOM 76 CB THR A 5 -4.469 8.870 0.984 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.636 9.672 1.001 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.295 9.768 1.340 1.00 0.00 C ATOM 0 H THR A 5 -4.741 9.522 -1.903 1.00 0.00 H new ATOM 0 HA THR A 5 -3.523 7.418 -0.301 1.00 0.00 H new ATOM 0 HB THR A 5 -4.514 8.069 1.721 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.195 9.452 0.227 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.477 10.238 2.306 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.384 9.172 1.392 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.182 10.538 0.577 1.00 0.00 H new ATOM 86 N SER A 6 -5.536 6.059 -0.615 1.00 0.00 N ATOM 87 CA SER A 6 -6.696 5.205 -0.865 1.00 0.00 C ATOM 88 C SER A 6 -7.183 4.565 0.438 1.00 0.00 C ATOM 89 O SER A 6 -6.404 3.948 1.164 1.00 0.00 O ATOM 90 CB SER A 6 -6.351 4.116 -1.884 1.00 0.00 C ATOM 91 OG SER A 6 -7.506 3.394 -2.271 1.00 0.00 O ATOM 0 H SER A 6 -4.680 5.551 -0.395 1.00 0.00 H new ATOM 0 HA SER A 6 -7.494 5.826 -1.271 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.890 4.568 -2.762 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.618 3.432 -1.456 1.00 0.00 H new ATOM 0 HG SER A 6 -7.553 3.352 -3.249 1.00 0.00 H new ATOM 97 N HIS A 7 -8.474 4.719 0.732 1.00 0.00 N ATOM 98 CA HIS A 7 -9.061 4.156 1.955 1.00 0.00 C ATOM 99 C HIS A 7 -10.056 3.040 1.627 1.00 0.00 C ATOM 100 O HIS A 7 -10.941 3.215 0.788 1.00 0.00 O ATOM 101 CB HIS A 7 -9.756 5.256 2.764 1.00 0.00 C ATOM 102 CG HIS A 7 -9.928 4.928 4.218 1.00 0.00 C ATOM 103 ND1 HIS A 7 -9.946 5.890 5.206 1.00 0.00 N ATOM 104 CD2 HIS A 7 -10.097 3.741 4.849 1.00 0.00 C ATOM 105 CE1 HIS A 7 -10.115 5.311 6.380 1.00 0.00 C ATOM 106 NE2 HIS A 7 -10.210 4.008 6.192 1.00 0.00 N ATOM 0 H HIS A 7 -9.135 5.227 0.144 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.254 3.729 2.550 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.180 6.177 2.676 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.736 5.450 2.327 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.136 2.767 4.383 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.167 5.817 7.333 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.345 3.312 6.925 1.00 0.00 H new ATOM 115 N VAL A 8 -9.904 1.891 2.289 1.00 0.00 N ATOM 116 CA VAL A 8 -10.788 0.749 2.063 1.00 0.00 C ATOM 117 C VAL A 8 -11.124 0.048 3.377 1.00 0.00 C ATOM 118 O VAL A 8 -10.338 0.091 4.323 1.00 0.00 O ATOM 119 CB VAL A 8 -10.151 -0.281 1.104 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.214 -1.173 0.480 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.331 0.415 0.026 1.00 0.00 C ATOM 0 H VAL A 8 -9.177 1.728 2.985 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.699 1.143 1.612 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.480 -0.911 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.740 -1.889 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.746 -1.709 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.919 -0.560 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.893 -0.331 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.976 1.078 -0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.536 0.997 0.492 1.00 0.00 H new ATOM 131 N ARG A 9 -12.277 -0.619 3.432 1.00 0.00 N ATOM 132 CA ARG A 9 -12.656 -1.341 4.648 1.00 0.00 C ATOM 133 C ARG A 9 -12.329 -2.828 4.502 1.00 0.00 C ATOM 134 O ARG A 9 -13.008 -3.556 3.778 1.00 0.00 O ATOM 135 CB ARG A 9 -14.147 -1.157 4.968 1.00 0.00 C ATOM 136 CG ARG A 9 -14.421 0.002 5.912 1.00 0.00 C ATOM 137 CD ARG A 9 -14.147 1.343 5.248 1.00 0.00 C ATOM 138 NE ARG A 9 -14.891 2.430 5.881 1.00 0.00 N ATOM 139 CZ ARG A 9 -15.118 3.607 5.303 1.00 0.00 C ATOM 140 NH1 ARG A 9 -14.658 3.855 4.083 1.00 0.00 N ATOM 141 NH2 ARG A 9 -15.804 4.540 5.948 1.00 0.00 N ATOM 0 H ARG A 9 -12.951 -0.675 2.669 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.081 -0.926 5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.694 -0.997 4.039 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.533 -2.076 5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.459 -0.035 6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.799 -0.098 6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.080 1.559 5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.415 1.287 4.193 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.258 2.278 6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.127 3.142 3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.835 4.759 3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.158 4.356 6.887 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.978 5.442 5.505 1.00 0.00 H new ATOM 155 N THR A 10 -11.276 -3.266 5.190 1.00 0.00 N ATOM 156 CA THR A 10 -10.836 -4.660 5.142 1.00 0.00 C ATOM 157 C THR A 10 -10.635 -5.234 6.549 1.00 0.00 C ATOM 158 O THR A 10 -10.401 -4.490 7.493 1.00 0.00 O ATOM 159 CB THR A 10 -9.551 -4.769 4.315 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.737 -5.658 3.228 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.354 -5.251 5.100 1.00 0.00 C ATOM 0 H THR A 10 -10.707 -2.670 5.792 1.00 0.00 H new ATOM 0 HA THR A 10 -11.616 -5.252 4.663 1.00 0.00 H new ATOM 0 HB THR A 10 -9.345 -3.754 3.976 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.890 -5.144 2.408 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.485 -5.301 4.444 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.152 -4.559 5.917 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.560 -6.241 5.506 1.00 0.00 H new ATOM 169 N GLU A 11 -10.704 -6.555 6.681 1.00 0.00 N ATOM 170 CA GLU A 11 -10.506 -7.198 7.983 1.00 0.00 C ATOM 171 C GLU A 11 -9.137 -7.888 8.072 1.00 0.00 C ATOM 172 O GLU A 11 -8.638 -8.423 7.081 1.00 0.00 O ATOM 173 CB GLU A 11 -11.621 -8.210 8.238 1.00 0.00 C ATOM 174 CG GLU A 11 -12.464 -7.870 9.452 1.00 0.00 C ATOM 175 CD GLU A 11 -13.952 -7.892 9.157 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.422 -8.874 8.545 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.646 -6.925 9.535 1.00 0.00 O ATOM 0 H GLU A 11 -10.893 -7.199 5.913 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.536 -6.422 8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.264 -8.263 7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.183 -9.199 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.246 -8.579 10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.185 -6.882 9.818 1.00 0.00 H new ATOM 184 N SER A 12 -8.536 -7.875 9.269 1.00 0.00 N ATOM 185 CA SER A 12 -7.232 -8.500 9.490 1.00 0.00 C ATOM 186 C SER A 12 -6.168 -7.897 8.577 1.00 0.00 C ATOM 187 O SER A 12 -5.180 -8.545 8.232 1.00 0.00 O ATOM 188 CB SER A 12 -7.327 -10.009 9.278 1.00 0.00 C ATOM 189 OG SER A 12 -6.041 -10.604 9.230 1.00 0.00 O ATOM 0 H SER A 12 -8.936 -7.437 10.099 1.00 0.00 H new ATOM 0 HA SER A 12 -6.934 -8.307 10.521 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.907 -10.456 10.085 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.860 -10.215 8.350 1.00 0.00 H new ATOM 0 HG SER A 12 -5.546 -10.252 8.461 1.00 0.00 H new ATOM 195 N ALA A 13 -6.387 -6.650 8.196 1.00 0.00 N ATOM 196 CA ALA A 13 -5.462 -5.923 7.320 1.00 0.00 C ATOM 197 C ALA A 13 -4.016 -5.967 7.810 1.00 0.00 C ATOM 198 O ALA A 13 -3.101 -6.288 7.051 1.00 0.00 O ATOM 199 CB ALA A 13 -5.899 -4.476 7.204 1.00 0.00 C ATOM 0 H ALA A 13 -7.204 -6.109 8.479 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.494 -6.419 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.210 -3.939 6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.904 -4.432 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.898 -4.015 8.192 1.00 0.00 H new ATOM 205 N ALA A 14 -3.815 -5.588 9.063 1.00 0.00 N ATOM 206 CA ALA A 14 -2.474 -5.517 9.658 1.00 0.00 C ATOM 207 C ALA A 14 -1.563 -6.694 9.288 1.00 0.00 C ATOM 208 O ALA A 14 -0.340 -6.551 9.304 1.00 0.00 O ATOM 209 CB ALA A 14 -2.593 -5.385 11.165 1.00 0.00 C ATOM 0 H ALA A 14 -4.567 -5.321 9.699 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.992 -4.634 9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.597 -5.332 11.605 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.146 -4.478 11.408 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.122 -6.250 11.565 1.00 0.00 H new ATOM 215 N ARG A 15 -2.134 -7.848 8.957 1.00 0.00 N ATOM 216 CA ARG A 15 -1.323 -9.005 8.596 1.00 0.00 C ATOM 217 C ARG A 15 -0.866 -8.930 7.149 1.00 0.00 C ATOM 218 O ARG A 15 0.280 -9.254 6.837 1.00 0.00 O ATOM 219 CB ARG A 15 -2.094 -10.299 8.844 1.00 0.00 C ATOM 220 CG ARG A 15 -1.196 -11.520 8.952 1.00 0.00 C ATOM 221 CD ARG A 15 -0.509 -11.868 7.635 1.00 0.00 C ATOM 222 NE ARG A 15 -0.749 -13.259 7.257 1.00 0.00 N ATOM 223 CZ ARG A 15 -1.886 -13.698 6.724 1.00 0.00 C ATOM 224 NH1 ARG A 15 -2.887 -12.859 6.490 1.00 0.00 N ATOM 225 NH2 ARG A 15 -2.022 -14.982 6.419 1.00 0.00 N ATOM 0 H ARG A 15 -3.141 -8.006 8.931 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.436 -8.999 9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.673 -10.199 9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.807 -10.451 8.033 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.439 -11.342 9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.788 -12.373 9.284 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.873 -11.208 6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.563 -11.694 7.726 1.00 0.00 H new ATOM 0 HE ARG A 15 0.000 -13.934 7.411 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.788 -11.870 6.719 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.756 -13.203 6.081 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.255 -15.632 6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.893 -15.320 6.010 1.00 0.00 H new ATOM 239 N TYR A 16 -1.750 -8.487 6.269 1.00 0.00 N ATOM 240 CA TYR A 16 -1.394 -8.362 4.860 1.00 0.00 C ATOM 241 C TYR A 16 -0.265 -7.348 4.712 1.00 0.00 C ATOM 242 O TYR A 16 0.498 -7.412 3.758 1.00 0.00 O ATOM 243 CB TYR A 16 -2.600 -7.964 3.994 1.00 0.00 C ATOM 244 CG TYR A 16 -3.778 -8.939 4.012 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.646 -10.282 4.383 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.046 -8.494 3.655 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.738 -11.130 4.398 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.137 -9.340 3.667 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.978 -10.655 4.041 1.00 0.00 C ATOM 250 OH TYR A 16 -7.066 -11.497 4.056 1.00 0.00 O ATOM 0 H TYR A 16 -2.705 -8.211 6.498 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.059 -9.337 4.505 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.955 -6.988 4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.263 -7.849 2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.675 -10.662 4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.181 -7.463 3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.617 -12.163 4.689 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.112 -8.971 3.384 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.866 -11.003 3.778 1.00 0.00 H new ATOM 260 N VAL A 17 -0.139 -6.439 5.686 1.00 0.00 N ATOM 261 CA VAL A 17 0.935 -5.445 5.668 1.00 0.00 C ATOM 262 C VAL A 17 2.214 -6.062 6.225 1.00 0.00 C ATOM 263 O VAL A 17 3.308 -5.825 5.711 1.00 0.00 O ATOM 264 CB VAL A 17 0.580 -4.164 6.475 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.827 -3.456 7.001 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.214 -3.203 5.618 1.00 0.00 C ATOM 0 H VAL A 17 -0.763 -6.373 6.490 1.00 0.00 H new ATOM 0 HA VAL A 17 1.078 -5.144 4.630 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.019 -4.481 7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.533 -2.567 7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.378 -4.130 7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.461 -3.166 6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.454 -2.312 6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.376 -2.920 4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.136 -3.683 5.292 1.00 0.00 H new ATOM 276 N ASN A 18 2.065 -6.844 7.288 1.00 0.00 N ATOM 277 CA ASN A 18 3.198 -7.489 7.932 1.00 0.00 C ATOM 278 C ASN A 18 3.821 -8.562 7.041 1.00 0.00 C ATOM 279 O ASN A 18 5.022 -8.817 7.117 1.00 0.00 O ATOM 280 CB ASN A 18 2.762 -8.120 9.257 1.00 0.00 C ATOM 281 CG ASN A 18 2.650 -7.115 10.390 1.00 0.00 C ATOM 282 OD1 ASN A 18 3.082 -7.381 11.511 1.00 0.00 O ATOM 283 ND2 ASN A 18 2.064 -5.955 10.109 1.00 0.00 N ATOM 0 H ASN A 18 1.165 -7.046 7.722 1.00 0.00 H new ATOM 0 HA ASN A 18 3.949 -6.721 8.116 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.799 -8.611 9.119 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.477 -8.894 9.536 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.959 -5.247 10.836 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.719 -5.773 9.167 1.00 0.00 H new ATOM 290 N ARG A 19 3.001 -9.211 6.218 1.00 0.00 N ATOM 291 CA ARG A 19 3.487 -10.276 5.349 1.00 0.00 C ATOM 292 C ARG A 19 4.151 -9.752 4.073 1.00 0.00 C ATOM 293 O ARG A 19 4.889 -10.481 3.412 1.00 0.00 O ATOM 294 CB ARG A 19 2.336 -11.213 4.987 1.00 0.00 C ATOM 295 CG ARG A 19 2.738 -12.675 4.971 1.00 0.00 C ATOM 296 CD ARG A 19 1.918 -13.500 5.946 1.00 0.00 C ATOM 297 NE ARG A 19 2.224 -14.926 5.846 1.00 0.00 N ATOM 298 CZ ARG A 19 2.197 -15.772 6.875 1.00 0.00 C ATOM 299 NH1 ARG A 19 1.886 -15.345 8.093 1.00 0.00 N ATOM 300 NH2 ARG A 19 2.486 -17.052 6.684 1.00 0.00 N ATOM 0 H ARG A 19 2.003 -9.019 6.136 1.00 0.00 H new ATOM 0 HA ARG A 19 4.253 -10.815 5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.524 -11.074 5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.948 -10.939 4.006 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.614 -13.074 3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.795 -12.763 5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.111 -13.158 6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.857 -13.342 5.752 1.00 0.00 H new ATOM 0 HE ARG A 19 2.474 -15.297 4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.665 -14.361 8.248 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.868 -16.001 8.874 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.728 -17.386 5.751 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.466 -17.702 7.470 1.00 0.00 H new ATOM 314 N LEU A 20 3.880 -8.503 3.719 1.00 0.00 N ATOM 315 CA LEU A 20 4.451 -7.917 2.505 1.00 0.00 C ATOM 316 C LEU A 20 5.963 -7.754 2.600 1.00 0.00 C ATOM 317 O LEU A 20 6.687 -8.143 1.683 1.00 0.00 O ATOM 318 CB LEU A 20 3.811 -6.562 2.208 1.00 0.00 C ATOM 319 CG LEU A 20 2.309 -6.592 1.923 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.871 -5.273 1.304 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.927 -7.754 1.005 1.00 0.00 C ATOM 0 H LEU A 20 3.273 -7.877 4.248 1.00 0.00 H new ATOM 0 HA LEU A 20 4.237 -8.610 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.989 -5.902 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.317 -6.121 1.349 1.00 0.00 H new ATOM 0 HG LEU A 20 1.795 -6.739 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.800 -5.303 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.089 -4.457 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.410 -5.113 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.852 -7.739 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.453 -7.655 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.204 -8.697 1.477 1.00 0.00 H new ATOM 333 N CYS A 21 6.444 -7.178 3.697 1.00 0.00 N ATOM 334 CA CYS A 21 7.880 -6.980 3.863 1.00 0.00 C ATOM 335 C CYS A 21 8.610 -8.309 3.736 1.00 0.00 C ATOM 336 O CYS A 21 9.732 -8.373 3.237 1.00 0.00 O ATOM 337 CB CYS A 21 8.195 -6.319 5.211 1.00 0.00 C ATOM 338 SG CYS A 21 7.099 -4.946 5.635 1.00 0.00 S ATOM 0 H CYS A 21 5.872 -6.845 4.473 1.00 0.00 H new ATOM 0 HA CYS A 21 8.226 -6.311 3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.135 -7.073 5.996 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.223 -5.957 5.194 1.00 0.00 H new ATOM 0 HG CYS A 21 7.774 -3.835 5.631 1.00 0.00 H new ATOM 344 N LYS A 22 7.952 -9.374 4.170 1.00 0.00 N ATOM 345 CA LYS A 22 8.523 -10.707 4.084 1.00 0.00 C ATOM 346 C LYS A 22 8.266 -11.315 2.702 1.00 0.00 C ATOM 347 O LYS A 22 8.954 -12.248 2.285 1.00 0.00 O ATOM 348 CB LYS A 22 7.933 -11.602 5.174 1.00 0.00 C ATOM 349 CG LYS A 22 8.103 -11.045 6.583 1.00 0.00 C ATOM 350 CD LYS A 22 6.826 -11.183 7.395 1.00 0.00 C ATOM 351 CE LYS A 22 6.551 -12.632 7.756 1.00 0.00 C ATOM 352 NZ LYS A 22 7.429 -13.106 8.861 1.00 0.00 N ATOM 0 H LYS A 22 7.021 -9.339 4.586 1.00 0.00 H new ATOM 0 HA LYS A 22 9.600 -10.633 4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.871 -11.748 4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.405 -12.583 5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.914 -11.570 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.389 -9.995 6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.906 -10.589 8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.987 -10.783 6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.507 -12.741 8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.702 -13.260 6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.164 -14.077 9.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.421 -13.090 8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.317 -12.482 9.686 1.00 0.00 H new ATOM 366 N HIS A 23 7.260 -10.785 2.001 1.00 0.00 N ATOM 367 CA HIS A 23 6.893 -11.273 0.677 1.00 0.00 C ATOM 368 C HIS A 23 7.729 -10.634 -0.430 1.00 0.00 C ATOM 369 O HIS A 23 8.413 -11.334 -1.178 1.00 0.00 O ATOM 370 CB HIS A 23 5.408 -11.017 0.414 1.00 0.00 C ATOM 371 CG HIS A 23 4.830 -11.894 -0.653 1.00 0.00 C ATOM 372 ND1 HIS A 23 5.412 -12.056 -1.893 1.00 0.00 N ATOM 373 CD2 HIS A 23 3.715 -12.663 -0.660 1.00 0.00 C ATOM 374 CE1 HIS A 23 4.680 -12.884 -2.616 1.00 0.00 C ATOM 375 NE2 HIS A 23 3.645 -13.267 -1.892 1.00 0.00 N ATOM 0 H HIS A 23 6.684 -10.012 2.335 1.00 0.00 H new ATOM 0 HA HIS A 23 7.093 -12.344 0.664 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.852 -11.169 1.339 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.272 -9.974 0.129 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.012 -12.780 0.152 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.892 -13.195 -3.628 1.00 0.00 H new ATOM 0 HE2 HIS A 23 2.912 -13.907 -2.198 1.00 0.00 H new ATOM 384 N TRP A 24 7.655 -9.307 -0.556 1.00 0.00 N ATOM 385 CA TRP A 24 8.395 -8.612 -1.603 1.00 0.00 C ATOM 386 C TRP A 24 9.797 -8.212 -1.143 1.00 0.00 C ATOM 387 O TRP A 24 10.619 -7.793 -1.959 1.00 0.00 O ATOM 388 CB TRP A 24 7.619 -7.376 -2.059 1.00 0.00 C ATOM 389 CG TRP A 24 6.313 -7.706 -2.715 1.00 0.00 C ATOM 390 CD1 TRP A 24 5.085 -7.206 -2.391 1.00 0.00 C ATOM 391 CD2 TRP A 24 6.105 -8.609 -3.807 1.00 0.00 C ATOM 392 NE1 TRP A 24 4.124 -7.744 -3.215 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.726 -8.607 -4.092 1.00 0.00 C ATOM 394 CE3 TRP A 24 6.949 -9.418 -4.572 1.00 0.00 C ATOM 395 CZ2 TRP A 24 4.174 -9.383 -5.109 1.00 0.00 C ATOM 396 CZ3 TRP A 24 6.401 -10.188 -5.581 1.00 0.00 C ATOM 397 CH2 TRP A 24 5.025 -10.165 -5.842 1.00 0.00 C ATOM 0 H TRP A 24 7.097 -8.702 0.047 1.00 0.00 H new ATOM 0 HA TRP A 24 8.509 -9.301 -2.440 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.433 -6.734 -1.198 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.234 -6.806 -2.755 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.896 -6.492 -1.603 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.126 -7.535 -3.179 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.011 -9.441 -4.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.113 -9.368 -5.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.044 -10.818 -6.178 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.627 -10.777 -6.638 1.00 0.00 H new ATOM 408 N GLY A 25 10.079 -8.340 0.157 1.00 0.00 N ATOM 409 CA GLY A 25 11.393 -7.981 0.660 1.00 0.00 C ATOM 410 C GLY A 25 12.475 -8.941 0.201 1.00 0.00 C ATOM 411 O GLY A 25 13.101 -9.615 1.018 1.00 0.00 O ATOM 0 H GLY A 25 9.426 -8.683 0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.642 -6.973 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.368 -7.961 1.750 1.00 0.00 H new ATOM 415 N HIS A 26 12.694 -9.002 -1.107 1.00 0.00 N ATOM 416 CA HIS A 26 13.706 -9.885 -1.670 1.00 0.00 C ATOM 417 C HIS A 26 14.868 -9.078 -2.241 1.00 0.00 C ATOM 418 O HIS A 26 16.008 -9.539 -2.256 1.00 0.00 O ATOM 419 CB HIS A 26 13.095 -10.769 -2.760 1.00 0.00 C ATOM 420 CG HIS A 26 12.908 -12.193 -2.339 1.00 0.00 C ATOM 421 ND1 HIS A 26 13.587 -13.245 -2.918 1.00 0.00 N ATOM 422 CD2 HIS A 26 12.113 -12.739 -1.389 1.00 0.00 C ATOM 423 CE1 HIS A 26 13.217 -14.375 -2.343 1.00 0.00 C ATOM 424 NE2 HIS A 26 12.325 -14.096 -1.412 1.00 0.00 N ATOM 0 H HIS A 26 12.184 -8.450 -1.797 1.00 0.00 H new ATOM 0 HA HIS A 26 14.086 -10.522 -0.871 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.130 -10.356 -3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.736 -10.740 -3.641 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.438 -12.207 -0.735 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.583 -15.360 -2.593 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.867 -14.778 -0.807 1.00 0.00 H new ATOM 433 N LYS A 27 14.568 -7.871 -2.711 1.00 0.00 N ATOM 434 CA LYS A 27 15.594 -7.003 -3.286 1.00 0.00 C ATOM 435 C LYS A 27 15.252 -5.531 -3.048 1.00 0.00 C ATOM 436 O LYS A 27 15.746 -4.647 -3.748 1.00 0.00 O ATOM 437 CB LYS A 27 15.729 -7.289 -4.789 1.00 0.00 C ATOM 438 CG LYS A 27 16.669 -6.350 -5.541 1.00 0.00 C ATOM 439 CD LYS A 27 15.897 -5.347 -6.385 1.00 0.00 C ATOM 440 CE LYS A 27 15.580 -5.903 -7.765 1.00 0.00 C ATOM 441 NZ LYS A 27 16.274 -5.145 -8.843 1.00 0.00 N ATOM 0 H LYS A 27 13.629 -7.472 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 27 16.546 -7.210 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.081 -8.312 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.741 -7.232 -5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.300 -5.818 -4.829 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.331 -6.933 -6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.970 -5.081 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.479 -4.431 -6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.875 -6.951 -7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.503 -5.868 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.032 -5.555 -9.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.973 -4.150 -8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.303 -5.200 -8.699 1.00 0.00 H new ATOM 455 N PHE A 28 14.406 -5.269 -2.055 1.00 0.00 N ATOM 456 CA PHE A 28 14.013 -3.905 -1.740 1.00 0.00 C ATOM 457 C PHE A 28 13.933 -3.692 -0.237 1.00 0.00 C ATOM 458 O PHE A 28 13.746 -4.638 0.528 1.00 0.00 O ATOM 459 CB PHE A 28 12.673 -3.575 -2.394 1.00 0.00 C ATOM 460 CG PHE A 28 12.784 -3.304 -3.867 1.00 0.00 C ATOM 461 CD1 PHE A 28 13.175 -2.057 -4.328 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.499 -4.297 -4.790 1.00 0.00 C ATOM 463 CE1 PHE A 28 13.280 -1.806 -5.682 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.603 -4.051 -6.146 1.00 0.00 C ATOM 465 CZ PHE A 28 12.994 -2.804 -6.592 1.00 0.00 C ATOM 0 H PHE A 28 13.983 -5.981 -1.460 1.00 0.00 H new ATOM 0 HA PHE A 28 14.774 -3.234 -2.137 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.984 -4.405 -2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.241 -2.703 -1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.400 -1.273 -3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.192 -5.274 -4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.586 -0.830 -6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.379 -4.833 -6.856 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.076 -2.610 -7.651 1.00 0.00 H new ATOM 475 N GLU A 29 14.077 -2.441 0.180 1.00 0.00 N ATOM 476 CA GLU A 29 14.020 -2.102 1.596 1.00 0.00 C ATOM 477 C GLU A 29 12.578 -2.086 2.084 1.00 0.00 C ATOM 478 O GLU A 29 11.820 -1.164 1.783 1.00 0.00 O ATOM 479 CB GLU A 29 14.671 -0.742 1.846 1.00 0.00 C ATOM 480 CG GLU A 29 14.258 0.321 0.846 1.00 0.00 C ATOM 481 CD GLU A 29 15.338 0.613 -0.177 1.00 0.00 C ATOM 482 OE1 GLU A 29 16.021 -0.341 -0.608 1.00 0.00 O ATOM 483 OE2 GLU A 29 15.501 1.794 -0.547 1.00 0.00 O ATOM 0 H GLU A 29 14.234 -1.646 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 29 14.569 -2.862 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.414 -0.404 2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.755 -0.856 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.353 -0.002 0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.010 1.239 1.379 1.00 0.00 H new ATOM 490 N VAL A 30 12.202 -3.116 2.834 1.00 0.00 N ATOM 491 CA VAL A 30 10.846 -3.220 3.356 1.00 0.00 C ATOM 492 C VAL A 30 10.830 -3.174 4.882 1.00 0.00 C ATOM 493 O VAL A 30 11.403 -4.038 5.544 1.00 0.00 O ATOM 494 CB VAL A 30 10.151 -4.523 2.890 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.283 -4.281 1.666 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.169 -5.616 2.609 1.00 0.00 C ATOM 0 H VAL A 30 12.816 -3.888 3.093 1.00 0.00 H new ATOM 0 HA VAL A 30 10.300 -2.363 2.962 1.00 0.00 H new ATOM 0 HB VAL A 30 9.505 -4.855 3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.810 -5.216 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.515 -3.546 1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.901 -3.908 0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.653 -6.519 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.851 -5.285 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.735 -5.828 3.516 1.00 0.00 H new ATOM 506 N GLU A 31 10.161 -2.164 5.436 1.00 0.00 N ATOM 507 CA GLU A 31 10.060 -2.014 6.881 1.00 0.00 C ATOM 508 C GLU A 31 8.746 -2.602 7.384 1.00 0.00 C ATOM 509 O GLU A 31 7.688 -2.368 6.799 1.00 0.00 O ATOM 510 CB GLU A 31 10.165 -0.539 7.273 1.00 0.00 C ATOM 511 CG GLU A 31 11.291 -0.248 8.252 1.00 0.00 C ATOM 512 CD GLU A 31 11.842 1.156 8.108 1.00 0.00 C ATOM 513 OE1 GLU A 31 11.635 1.768 7.039 1.00 0.00 O ATOM 514 OE2 GLU A 31 12.482 1.644 9.063 1.00 0.00 O ATOM 0 H GLU A 31 9.682 -1.439 4.903 1.00 0.00 H new ATOM 0 HA GLU A 31 10.885 -2.556 7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.314 0.058 6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.220 -0.221 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.927 -0.389 9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.095 -0.967 8.099 1.00 0.00 H new ATOM 521 N LEU A 32 8.817 -3.358 8.472 1.00 0.00 N ATOM 522 CA LEU A 32 7.621 -3.977 9.052 1.00 0.00 C ATOM 523 C LEU A 32 7.370 -3.463 10.461 1.00 0.00 C ATOM 524 O LEU A 32 8.084 -3.810 11.402 1.00 0.00 O ATOM 525 CB LEU A 32 7.736 -5.517 9.061 1.00 0.00 C ATOM 526 CG LEU A 32 6.440 -6.302 9.357 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.768 -7.753 9.685 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.664 -5.674 10.510 1.00 0.00 C ATOM 0 H LEU A 32 9.683 -3.560 8.972 1.00 0.00 H new ATOM 0 HA LEU A 32 6.774 -3.700 8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.114 -5.837 8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.483 -5.799 9.803 1.00 0.00 H new ATOM 0 HG LEU A 32 5.815 -6.265 8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.846 -8.297 9.892 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.277 -8.212 8.837 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.416 -7.791 10.561 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.757 -6.249 10.694 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.282 -5.674 11.408 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.397 -4.649 10.253 1.00 0.00 H new ATOM 540 N THR A 33 6.329 -2.655 10.597 1.00 0.00 N ATOM 541 CA THR A 33 5.942 -2.107 11.892 1.00 0.00 C ATOM 542 C THR A 33 4.466 -2.393 12.124 1.00 0.00 C ATOM 543 O THR A 33 3.732 -2.671 11.177 1.00 0.00 O ATOM 544 CB THR A 33 6.201 -0.600 11.935 1.00 0.00 C ATOM 545 OG1 THR A 33 5.863 0.002 10.698 1.00 0.00 O ATOM 546 CG2 THR A 33 7.642 -0.249 12.237 1.00 0.00 C ATOM 0 H THR A 33 5.733 -2.362 9.823 1.00 0.00 H new ATOM 0 HA THR A 33 6.536 -2.575 12.677 1.00 0.00 H new ATOM 0 HB THR A 33 5.575 -0.222 12.743 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.034 0.966 10.746 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.757 0.835 12.253 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.920 -0.658 13.209 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.288 -0.671 11.467 1.00 0.00 H new ATOM 554 N PRO A 34 3.999 -2.324 13.374 1.00 0.00 N ATOM 555 CA PRO A 34 2.597 -2.574 13.687 1.00 0.00 C ATOM 556 C PRO A 34 1.725 -1.391 13.310 1.00 0.00 C ATOM 557 O PRO A 34 0.965 -0.874 14.129 1.00 0.00 O ATOM 558 CB PRO A 34 2.605 -2.785 15.192 1.00 0.00 C ATOM 559 CG PRO A 34 3.773 -2.000 15.685 1.00 0.00 C ATOM 560 CD PRO A 34 4.788 -1.988 14.569 1.00 0.00 C ATOM 0 HA PRO A 34 2.188 -3.422 13.137 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.676 -2.437 15.644 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.705 -3.841 15.442 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.474 -0.985 15.948 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.192 -2.452 16.584 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.265 -1.013 14.472 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.581 -2.715 14.742 1.00 0.00 H new ATOM 568 N GLU A 35 1.854 -0.966 12.062 1.00 0.00 N ATOM 569 CA GLU A 35 1.102 0.165 11.553 1.00 0.00 C ATOM 570 C GLU A 35 1.070 0.182 10.025 1.00 0.00 C ATOM 571 O GLU A 35 0.048 0.523 9.430 1.00 0.00 O ATOM 572 CB GLU A 35 1.711 1.473 12.070 1.00 0.00 C ATOM 573 CG GLU A 35 1.614 1.638 13.577 1.00 0.00 C ATOM 574 CD GLU A 35 1.841 3.069 14.024 1.00 0.00 C ATOM 575 OE1 GLU A 35 0.967 3.920 13.760 1.00 0.00 O ATOM 576 OE2 GLU A 35 2.894 3.338 14.641 1.00 0.00 O ATOM 0 H GLU A 35 2.479 -1.394 11.379 1.00 0.00 H new ATOM 0 HA GLU A 35 0.077 0.068 11.910 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.760 1.517 11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.209 2.312 11.588 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.630 1.309 13.912 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.348 0.991 14.057 1.00 0.00 H new ATOM 583 N ARG A 36 2.188 -0.172 9.382 1.00 0.00 N ATOM 584 CA ARG A 36 2.240 -0.166 7.926 1.00 0.00 C ATOM 585 C ARG A 36 3.502 -0.818 7.378 1.00 0.00 C ATOM 586 O ARG A 36 4.458 -1.084 8.106 1.00 0.00 O ATOM 587 CB ARG A 36 2.154 1.268 7.403 1.00 0.00 C ATOM 588 CG ARG A 36 3.165 2.203 8.049 1.00 0.00 C ATOM 589 CD ARG A 36 2.739 3.657 7.944 1.00 0.00 C ATOM 590 NE ARG A 36 3.841 4.574 8.231 1.00 0.00 N ATOM 591 CZ ARG A 36 4.346 4.766 9.447 1.00 0.00 C ATOM 592 NH1 ARG A 36 3.851 4.113 10.491 1.00 0.00 N ATOM 593 NH2 ARG A 36 5.350 5.617 9.620 1.00 0.00 N ATOM 0 H ARG A 36 3.052 -0.461 9.841 1.00 0.00 H new ATOM 0 HA ARG A 36 1.387 -0.751 7.582 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.310 1.264 6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.149 1.652 7.579 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.288 1.936 9.099 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.136 2.074 7.571 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.358 3.851 6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.920 3.846 8.639 1.00 0.00 H new ATOM 0 HE ARG A 36 4.246 5.097 7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.079 3.459 10.364 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.243 4.265 11.420 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.733 6.123 8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.738 5.765 10.552 1.00 0.00 H new ATOM 607 N GLY A 37 3.489 -1.036 6.066 1.00 0.00 N ATOM 608 CA GLY A 37 4.626 -1.617 5.379 1.00 0.00 C ATOM 609 C GLY A 37 5.306 -0.575 4.489 1.00 0.00 C ATOM 610 O GLY A 37 4.680 -0.058 3.563 1.00 0.00 O ATOM 0 H GLY A 37 2.698 -0.816 5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.340 -2.003 6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.299 -2.463 4.774 1.00 0.00 H new ATOM 614 N PHE A 38 6.567 -0.243 4.768 1.00 0.00 N ATOM 615 CA PHE A 38 7.291 0.758 3.987 1.00 0.00 C ATOM 616 C PHE A 38 8.205 0.085 2.975 1.00 0.00 C ATOM 617 O PHE A 38 9.075 -0.703 3.337 1.00 0.00 O ATOM 618 CB PHE A 38 8.100 1.638 4.943 1.00 0.00 C ATOM 619 CG PHE A 38 8.896 2.738 4.289 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.264 3.826 3.699 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.285 2.707 4.304 1.00 0.00 C ATOM 622 CE1 PHE A 38 9.000 4.852 3.139 1.00 0.00 C ATOM 623 CE2 PHE A 38 11.022 3.729 3.738 1.00 0.00 C ATOM 624 CZ PHE A 38 10.380 4.803 3.156 1.00 0.00 C ATOM 0 H PHE A 38 7.108 -0.653 5.529 1.00 0.00 H new ATOM 0 HA PHE A 38 6.582 1.376 3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.416 2.086 5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.784 1.002 5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.185 3.870 3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.795 1.873 4.764 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.496 5.693 2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.101 3.688 3.751 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.955 5.603 2.715 1.00 0.00 H new ATOM 634 N ILE A 39 8.005 0.412 1.707 1.00 0.00 N ATOM 635 CA ILE A 39 8.816 -0.155 0.631 1.00 0.00 C ATOM 636 C ILE A 39 9.236 0.949 -0.335 1.00 0.00 C ATOM 637 O ILE A 39 8.428 1.405 -1.144 1.00 0.00 O ATOM 638 CB ILE A 39 8.058 -1.248 -0.170 1.00 0.00 C ATOM 639 CG1 ILE A 39 7.113 -2.060 0.743 1.00 0.00 C ATOM 640 CG2 ILE A 39 9.057 -2.163 -0.877 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.677 -3.396 0.167 1.00 0.00 C ATOM 0 H ILE A 39 7.289 1.067 1.394 1.00 0.00 H new ATOM 0 HA ILE A 39 9.686 -0.617 1.099 1.00 0.00 H new ATOM 0 HB ILE A 39 7.440 -0.757 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.611 -2.235 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.226 -1.461 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.518 -2.927 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.668 -1.575 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.699 -2.641 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.016 -3.898 0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.148 -3.232 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.554 -4.017 -0.015 1.00 0.00 H new ATOM 704 N SER A 44 10.998 7.030 -5.244 1.00 0.00 N ATOM 705 CA SER A 44 9.591 6.649 -5.159 1.00 0.00 C ATOM 706 C SER A 44 9.393 5.751 -3.933 1.00 0.00 C ATOM 707 O SER A 44 10.360 5.176 -3.432 1.00 0.00 O ATOM 708 CB SER A 44 9.169 5.921 -6.442 1.00 0.00 C ATOM 709 OG SER A 44 10.277 5.279 -7.051 1.00 0.00 O ATOM 0 HA SER A 44 8.969 7.538 -5.054 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.400 5.184 -6.210 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.728 6.633 -7.140 1.00 0.00 H new ATOM 0 HG SER A 44 11.108 5.615 -6.655 1.00 0.00 H new ATOM 715 N ASN A 45 8.161 5.634 -3.431 1.00 0.00 N ATOM 716 CA ASN A 45 7.914 4.810 -2.251 1.00 0.00 C ATOM 717 C ASN A 45 6.486 4.273 -2.255 1.00 0.00 C ATOM 718 O ASN A 45 5.642 4.745 -3.016 1.00 0.00 O ATOM 719 CB ASN A 45 8.162 5.619 -0.968 1.00 0.00 C ATOM 720 CG ASN A 45 9.376 6.529 -1.064 1.00 0.00 C ATOM 721 OD1 ASN A 45 10.401 6.282 -0.431 1.00 0.00 O ATOM 722 ND2 ASN A 45 9.264 7.589 -1.856 1.00 0.00 N ATOM 0 H ASN A 45 7.335 6.091 -3.816 1.00 0.00 H new ATOM 0 HA ASN A 45 8.605 3.967 -2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.280 6.221 -0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.295 4.932 -0.132 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.047 8.235 -1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.395 7.757 -2.364 1.00 0.00 H new ATOM 729 N CYS A 46 6.215 3.288 -1.401 1.00 0.00 N ATOM 730 CA CYS A 46 4.885 2.705 -1.320 1.00 0.00 C ATOM 731 C CYS A 46 4.603 2.213 0.097 1.00 0.00 C ATOM 732 O CYS A 46 5.088 1.160 0.508 1.00 0.00 O ATOM 733 CB CYS A 46 4.736 1.548 -2.318 1.00 0.00 C ATOM 734 SG CYS A 46 6.284 0.984 -3.071 1.00 0.00 S ATOM 0 H CYS A 46 6.897 2.881 -0.760 1.00 0.00 H new ATOM 0 HA CYS A 46 4.160 3.478 -1.575 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.269 0.705 -1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.055 1.857 -3.111 1.00 0.00 H new ATOM 0 HG CYS A 46 7.206 0.900 -2.158 1.00 0.00 H new ATOM 740 N GLU A 47 3.817 2.985 0.838 1.00 0.00 N ATOM 741 CA GLU A 47 3.467 2.637 2.209 1.00 0.00 C ATOM 742 C GLU A 47 2.055 2.056 2.257 1.00 0.00 C ATOM 743 O GLU A 47 1.231 2.347 1.390 1.00 0.00 O ATOM 744 CB GLU A 47 3.577 3.886 3.095 1.00 0.00 C ATOM 745 CG GLU A 47 4.023 3.630 4.533 1.00 0.00 C ATOM 746 CD GLU A 47 4.832 4.782 5.097 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.320 5.921 5.100 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.977 4.545 5.535 1.00 0.00 O ATOM 0 H GLU A 47 3.408 3.860 0.510 1.00 0.00 H new ATOM 0 HA GLU A 47 4.157 1.880 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.280 4.579 2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.607 4.383 3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.146 3.463 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.619 2.718 4.570 1.00 0.00 H new ATOM 755 N LEU A 48 1.778 1.230 3.262 1.00 0.00 N ATOM 756 CA LEU A 48 0.458 0.614 3.390 1.00 0.00 C ATOM 757 C LEU A 48 0.050 0.505 4.855 1.00 0.00 C ATOM 758 O LEU A 48 0.700 -0.181 5.638 1.00 0.00 O ATOM 759 CB LEU A 48 0.441 -0.775 2.718 1.00 0.00 C ATOM 760 CG LEU A 48 -0.878 -1.561 2.818 1.00 0.00 C ATOM 761 CD1 LEU A 48 -2.084 -0.644 2.676 1.00 0.00 C ATOM 762 CD2 LEU A 48 -0.926 -2.665 1.769 1.00 0.00 C ATOM 0 H LEU A 48 2.441 0.973 3.993 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.265 1.252 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.686 -0.649 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.234 -1.379 3.159 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.917 -2.016 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.999 -1.232 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.067 0.105 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.051 -0.147 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.866 -3.209 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.852 -2.225 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.094 -3.351 1.925 1.00 0.00 H new ATOM 774 N LEU A 49 -1.046 1.175 5.211 1.00 0.00 N ATOM 775 CA LEU A 49 -1.552 1.139 6.585 1.00 0.00 C ATOM 776 C LEU A 49 -2.575 0.029 6.705 1.00 0.00 C ATOM 777 O LEU A 49 -3.461 -0.089 5.863 1.00 0.00 O ATOM 778 CB LEU A 49 -2.181 2.476 6.985 1.00 0.00 C ATOM 779 CG LEU A 49 -2.263 2.732 8.496 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.302 3.838 8.907 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.687 3.088 8.897 1.00 0.00 C ATOM 0 H LEU A 49 -1.599 1.746 4.572 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.716 0.953 7.259 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.607 3.281 6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.187 2.525 6.569 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.974 1.818 9.015 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.376 4.004 9.982 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.283 3.547 8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.558 4.757 8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.729 3.267 9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.000 3.988 8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.354 2.265 8.640 1.00 0.00 H new ATOM 793 N ALA A 50 -2.441 -0.805 7.726 1.00 0.00 N ATOM 794 CA ALA A 50 -3.362 -1.917 7.884 1.00 0.00 C ATOM 795 C ALA A 50 -3.724 -2.200 9.335 1.00 0.00 C ATOM 796 O ALA A 50 -2.891 -2.642 10.126 1.00 0.00 O ATOM 797 CB ALA A 50 -2.774 -3.150 7.228 1.00 0.00 C ATOM 0 H ALA A 50 -1.719 -0.735 8.443 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.295 -1.639 7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.462 -3.987 7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.614 -2.956 6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.822 -3.394 7.700 1.00 0.00 H new ATOM 803 N HIS A 51 -4.994 -1.971 9.658 1.00 0.00 N ATOM 804 CA HIS A 51 -5.514 -2.227 10.979 1.00 0.00 C ATOM 805 C HIS A 51 -6.509 -3.393 10.902 1.00 0.00 C ATOM 806 O HIS A 51 -6.958 -3.767 9.821 1.00 0.00 O ATOM 807 CB HIS A 51 -6.164 -0.960 11.559 1.00 0.00 C ATOM 808 CG HIS A 51 -5.794 -0.699 12.988 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.674 -0.171 13.910 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.631 -0.902 13.657 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.070 -0.057 15.079 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.832 -0.494 14.953 1.00 0.00 N ATOM 0 H HIS A 51 -5.684 -1.602 9.004 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.702 -2.503 11.652 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.872 -0.102 10.954 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.248 -1.050 11.483 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.718 -1.308 13.247 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.515 0.329 15.985 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.136 -0.524 15.698 1.00 0.00 H new ATOM 821 N PRO A 52 -6.842 -3.997 12.045 1.00 0.00 N ATOM 822 CA PRO A 52 -7.756 -5.145 12.123 1.00 0.00 C ATOM 823 C PRO A 52 -9.034 -5.006 11.294 1.00 0.00 C ATOM 824 O PRO A 52 -9.687 -6.008 11.004 1.00 0.00 O ATOM 825 CB PRO A 52 -8.087 -5.213 13.612 1.00 0.00 C ATOM 826 CG PRO A 52 -6.864 -4.689 14.274 1.00 0.00 C ATOM 827 CD PRO A 52 -6.333 -3.615 13.364 1.00 0.00 C ATOM 0 HA PRO A 52 -7.290 -6.041 11.712 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.962 -4.610 13.855 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.306 -6.233 13.927 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.095 -4.287 15.260 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.127 -5.480 14.417 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.688 -2.628 13.660 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.244 -3.580 13.378 1.00 0.00 H new ATOM 835 N ASP A 53 -9.412 -3.783 10.921 1.00 0.00 N ATOM 836 CA ASP A 53 -10.637 -3.605 10.142 1.00 0.00 C ATOM 837 C ASP A 53 -10.530 -2.524 9.069 1.00 0.00 C ATOM 838 O ASP A 53 -11.482 -2.319 8.314 1.00 0.00 O ATOM 839 CB ASP A 53 -11.820 -3.304 11.066 1.00 0.00 C ATOM 840 CG ASP A 53 -11.832 -4.187 12.300 1.00 0.00 C ATOM 841 OD1 ASP A 53 -12.428 -5.282 12.240 1.00 0.00 O ATOM 842 OD2 ASP A 53 -11.246 -3.781 13.326 1.00 0.00 O ATOM 0 H ASP A 53 -8.905 -2.925 11.137 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.800 -4.548 9.620 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.781 -2.258 11.372 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.751 -3.441 10.516 1.00 0.00 H new ATOM 847 N HIS A 54 -9.390 -1.854 8.958 1.00 0.00 N ATOM 848 CA HIS A 54 -9.246 -0.841 7.914 1.00 0.00 C ATOM 849 C HIS A 54 -7.834 -0.828 7.336 1.00 0.00 C ATOM 850 O HIS A 54 -6.884 -1.263 7.986 1.00 0.00 O ATOM 851 CB HIS A 54 -9.635 0.550 8.418 1.00 0.00 C ATOM 852 CG HIS A 54 -8.861 1.014 9.610 1.00 0.00 C ATOM 853 ND1 HIS A 54 -9.325 0.896 10.903 1.00 0.00 N ATOM 854 CD2 HIS A 54 -7.652 1.619 9.700 1.00 0.00 C ATOM 855 CE1 HIS A 54 -8.437 1.409 11.736 1.00 0.00 C ATOM 856 NE2 HIS A 54 -7.413 1.853 11.031 1.00 0.00 N ATOM 0 H HIS A 54 -8.574 -1.985 9.556 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.935 -1.112 7.114 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.498 1.268 7.609 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.696 0.549 8.667 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -6.998 1.870 8.878 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.533 1.457 12.811 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -6.579 2.298 11.414 1.00 0.00 H new ATOM 865 N VAL A 55 -7.701 -0.331 6.103 1.00 0.00 N ATOM 866 CA VAL A 55 -6.409 -0.273 5.444 1.00 0.00 C ATOM 867 C VAL A 55 -6.251 1.043 4.688 1.00 0.00 C ATOM 868 O VAL A 55 -7.180 1.512 4.030 1.00 0.00 O ATOM 869 CB VAL A 55 -6.222 -1.471 4.482 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.755 -1.168 3.085 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.763 -1.896 4.419 1.00 0.00 C ATOM 0 H VAL A 55 -8.475 0.034 5.548 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.638 -0.329 6.212 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.806 -2.299 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.604 -2.035 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.819 -0.940 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.223 -0.312 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.659 -2.739 3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.157 -1.063 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.426 -2.190 5.413 1.00 0.00 H new ATOM 881 N LEU A 56 -5.069 1.627 4.785 1.00 0.00 N ATOM 882 CA LEU A 56 -4.776 2.888 4.108 1.00 0.00 C ATOM 883 C LEU A 56 -3.625 2.695 3.134 1.00 0.00 C ATOM 884 O LEU A 56 -2.699 1.931 3.400 1.00 0.00 O ATOM 885 CB LEU A 56 -4.427 3.988 5.129 1.00 0.00 C ATOM 886 CG LEU A 56 -5.428 5.145 5.255 1.00 0.00 C ATOM 887 CD1 LEU A 56 -4.988 6.104 6.353 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.580 5.893 3.935 1.00 0.00 C ATOM 0 H LEU A 56 -4.291 1.250 5.327 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.663 3.201 3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.318 3.523 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.455 4.404 4.864 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.398 4.722 5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.706 6.920 6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.937 5.571 7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.005 6.508 6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.296 6.706 4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.615 6.301 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.938 5.207 3.167 1.00 0.00 H new ATOM 900 N MET A 57 -3.686 3.379 2.003 1.00 0.00 N ATOM 901 CA MET A 57 -2.641 3.262 0.996 1.00 0.00 C ATOM 902 C MET A 57 -2.082 4.633 0.628 1.00 0.00 C ATOM 903 O MET A 57 -2.784 5.460 0.051 1.00 0.00 O ATOM 904 CB MET A 57 -3.197 2.543 -0.235 1.00 0.00 C ATOM 905 CG MET A 57 -4.123 1.390 0.128 1.00 0.00 C ATOM 906 SD MET A 57 -4.796 0.556 -1.322 1.00 0.00 S ATOM 907 CE MET A 57 -6.553 0.751 -1.036 1.00 0.00 C ATOM 0 H MET A 57 -4.443 4.018 1.759 1.00 0.00 H new ATOM 0 HA MET A 57 -1.818 2.676 1.404 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.739 3.258 -0.855 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.369 2.164 -0.835 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.577 0.669 0.736 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.943 1.767 0.739 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.091 0.620 -1.975 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.890 0.004 -0.317 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.749 1.748 -0.642 1.00 0.00 H new ATOM 917 N ILE A 58 -0.810 4.868 0.965 1.00 0.00 N ATOM 918 CA ILE A 58 -0.166 6.134 0.670 1.00 0.00 C ATOM 919 C ILE A 58 1.109 5.907 -0.129 1.00 0.00 C ATOM 920 O ILE A 58 1.894 5.010 0.183 1.00 0.00 O ATOM 921 CB ILE A 58 0.195 6.902 1.959 1.00 0.00 C ATOM 922 CG1 ILE A 58 -1.035 7.053 2.873 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.788 8.256 1.602 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.356 8.485 3.261 1.00 0.00 C ATOM 0 H ILE A 58 -0.213 4.192 1.442 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.875 6.726 0.090 1.00 0.00 H new ATOM 0 HB ILE A 58 0.941 6.332 2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.901 6.623 2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.872 6.471 3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.041 8.794 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.688 8.113 1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.061 8.833 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.236 8.499 3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.509 8.916 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.554 9.070 2.363 1.00 0.00 H new ATOM 936 N LEU A 59 1.321 6.723 -1.153 1.00 0.00 N ATOM 937 CA LEU A 59 2.513 6.597 -1.976 1.00 0.00 C ATOM 938 C LEU A 59 3.317 7.882 -1.980 1.00 0.00 C ATOM 939 O LEU A 59 2.759 8.975 -1.980 1.00 0.00 O ATOM 940 CB LEU A 59 2.148 6.200 -3.418 1.00 0.00 C ATOM 941 CG LEU A 59 1.654 7.323 -4.345 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.421 7.981 -3.770 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.737 8.363 -4.610 1.00 0.00 C ATOM 0 H LEU A 59 0.688 7.473 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 59 3.127 5.808 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.025 5.743 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.375 5.433 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 59 1.399 6.866 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.086 8.773 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.370 7.239 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.657 8.406 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.344 9.137 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.048 8.813 -3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.594 7.884 -5.083 1.00 0.00 H new ATOM 955 N ASN A 60 4.631 7.743 -2.031 1.00 0.00 N ATOM 956 CA ASN A 60 5.512 8.896 -2.094 1.00 0.00 C ATOM 957 C ASN A 60 6.339 8.797 -3.363 1.00 0.00 C ATOM 958 O ASN A 60 7.278 8.007 -3.440 1.00 0.00 O ATOM 959 CB ASN A 60 6.420 8.962 -0.864 1.00 0.00 C ATOM 960 CG ASN A 60 5.662 8.729 0.428 1.00 0.00 C ATOM 961 OD1 ASN A 60 4.439 8.589 0.427 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.386 8.687 1.540 1.00 0.00 N ATOM 0 H ASN A 60 5.111 6.843 -2.030 1.00 0.00 H new ATOM 0 HA ASN A 60 4.917 9.809 -2.106 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.209 8.216 -0.958 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.906 9.937 -0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.930 8.534 2.440 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.398 8.808 1.495 1.00 0.00 H new ATOM 969 N SER A 61 5.970 9.572 -4.374 1.00 0.00 N ATOM 970 CA SER A 61 6.688 9.513 -5.652 1.00 0.00 C ATOM 971 C SER A 61 6.757 10.872 -6.356 1.00 0.00 C ATOM 972 O SER A 61 5.768 11.602 -6.428 1.00 0.00 O ATOM 973 CB SER A 61 6.024 8.491 -6.577 1.00 0.00 C ATOM 974 OG SER A 61 5.184 7.612 -5.851 1.00 0.00 O ATOM 0 H SER A 61 5.197 10.236 -4.343 1.00 0.00 H new ATOM 0 HA SER A 61 7.711 9.211 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.441 9.010 -7.337 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.790 7.918 -7.099 1.00 0.00 H new ATOM 0 HG SER A 61 5.730 7.049 -5.263 1.00 0.00 H new ATOM 980 N PRO A 62 7.948 11.220 -6.883 1.00 0.00 N ATOM 981 CA PRO A 62 8.191 12.489 -7.589 1.00 0.00 C ATOM 982 C PRO A 62 7.466 12.615 -8.925 1.00 0.00 C ATOM 983 O PRO A 62 7.457 13.692 -9.523 1.00 0.00 O ATOM 984 CB PRO A 62 9.698 12.473 -7.819 1.00 0.00 C ATOM 985 CG PRO A 62 10.065 11.033 -7.825 1.00 0.00 C ATOM 986 CD PRO A 62 9.169 10.398 -6.811 1.00 0.00 C ATOM 0 HA PRO A 62 7.820 13.331 -7.005 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.959 12.952 -8.763 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.224 13.012 -7.031 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.918 10.593 -8.811 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.115 10.893 -7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.967 9.354 -7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.610 10.418 -5.814 1.00 0.00 H new ATOM 994 N ASP A 63 6.861 11.534 -9.405 1.00 0.00 N ATOM 995 CA ASP A 63 6.155 11.585 -10.677 1.00 0.00 C ATOM 996 C ASP A 63 4.859 10.774 -10.601 1.00 0.00 C ATOM 997 O ASP A 63 4.804 9.761 -9.907 1.00 0.00 O ATOM 998 CB ASP A 63 7.061 11.068 -11.802 1.00 0.00 C ATOM 999 CG ASP A 63 6.296 10.701 -13.062 1.00 0.00 C ATOM 1000 OD1 ASP A 63 5.333 11.419 -13.401 1.00 0.00 O ATOM 1001 OD2 ASP A 63 6.663 9.697 -13.708 1.00 0.00 O ATOM 0 H ASP A 63 6.845 10.626 -8.940 1.00 0.00 H new ATOM 0 HA ASP A 63 5.892 12.620 -10.895 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.802 11.830 -12.043 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.607 10.194 -11.448 1.00 0.00 H new ATOM 1006 N GLU A 64 3.814 11.217 -11.306 1.00 0.00 N ATOM 1007 CA GLU A 64 2.533 10.485 -11.270 1.00 0.00 C ATOM 1008 C GLU A 64 2.704 9.046 -11.750 1.00 0.00 C ATOM 1009 O GLU A 64 2.168 8.129 -11.135 1.00 0.00 O ATOM 1010 CB GLU A 64 1.422 11.183 -12.066 1.00 0.00 C ATOM 1011 CG GLU A 64 0.617 12.151 -11.215 1.00 0.00 C ATOM 1012 CD GLU A 64 1.179 13.559 -11.241 1.00 0.00 C ATOM 1013 OE1 GLU A 64 1.919 13.886 -12.192 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.879 14.335 -10.310 1.00 0.00 O ATOM 0 H GLU A 64 3.820 12.051 -11.893 1.00 0.00 H new ATOM 0 HA GLU A 64 2.221 10.475 -10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.864 11.722 -12.904 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.754 10.432 -12.487 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.414 12.169 -11.569 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.595 11.792 -10.186 1.00 0.00 H new ATOM 1021 N ASP A 65 3.466 8.831 -12.829 1.00 0.00 N ATOM 1022 CA ASP A 65 3.695 7.473 -13.321 1.00 0.00 C ATOM 1023 C ASP A 65 4.084 6.586 -12.150 1.00 0.00 C ATOM 1024 O ASP A 65 3.440 5.575 -11.871 1.00 0.00 O ATOM 1025 CB ASP A 65 4.812 7.474 -14.357 1.00 0.00 C ATOM 1026 CG ASP A 65 4.908 6.162 -15.111 1.00 0.00 C ATOM 1027 OD1 ASP A 65 3.848 5.593 -15.450 1.00 0.00 O ATOM 1028 OD2 ASP A 65 6.041 5.704 -15.362 1.00 0.00 O ATOM 0 H ASP A 65 3.925 9.566 -13.367 1.00 0.00 H new ATOM 0 HA ASP A 65 2.785 7.095 -13.788 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.645 8.285 -15.066 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.762 7.675 -13.862 1.00 0.00 H new ATOM 1033 N SER A 66 5.115 7.019 -11.435 1.00 0.00 N ATOM 1034 CA SER A 66 5.572 6.319 -10.243 1.00 0.00 C ATOM 1035 C SER A 66 4.443 6.320 -9.220 1.00 0.00 C ATOM 1036 O SER A 66 3.978 5.276 -8.769 1.00 0.00 O ATOM 1037 CB SER A 66 6.802 7.018 -9.661 1.00 0.00 C ATOM 1038 OG SER A 66 7.946 6.798 -10.467 1.00 0.00 O ATOM 0 H SER A 66 5.652 7.856 -11.662 1.00 0.00 H new ATOM 0 HA SER A 66 5.846 5.295 -10.497 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.611 8.088 -9.580 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.989 6.651 -8.652 1.00 0.00 H new ATOM 0 HG SER A 66 8.717 7.257 -10.073 1.00 0.00 H new ATOM 1044 N LEU A 67 4.004 7.528 -8.895 1.00 0.00 N ATOM 1045 CA LEU A 67 2.915 7.770 -7.952 1.00 0.00 C ATOM 1046 C LEU A 67 1.784 6.758 -8.124 1.00 0.00 C ATOM 1047 O LEU A 67 1.459 6.017 -7.197 1.00 0.00 O ATOM 1048 CB LEU A 67 2.416 9.213 -8.170 1.00 0.00 C ATOM 1049 CG LEU A 67 1.066 9.612 -7.562 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.859 11.110 -7.700 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.094 8.870 -8.210 1.00 0.00 C ATOM 0 H LEU A 67 4.400 8.384 -9.285 1.00 0.00 H new ATOM 0 HA LEU A 67 3.277 7.648 -6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.173 9.890 -7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.362 9.388 -9.245 1.00 0.00 H new ATOM 0 HG LEU A 67 1.087 9.336 -6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.102 11.386 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.658 11.637 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.873 11.384 -8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.030 9.184 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.121 9.097 -9.276 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.037 7.797 -8.071 1.00 0.00 H new ATOM 1063 N ALA A 68 1.184 6.721 -9.306 1.00 0.00 N ATOM 1064 CA ALA A 68 0.095 5.791 -9.563 1.00 0.00 C ATOM 1065 C ALA A 68 0.601 4.356 -9.529 1.00 0.00 C ATOM 1066 O ALA A 68 -0.085 3.457 -9.043 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.561 6.096 -10.902 1.00 0.00 C ATOM 0 H ALA A 68 1.430 7.319 -10.095 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.653 5.910 -8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.373 5.391 -11.078 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.958 7.111 -10.890 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.178 6.005 -11.698 1.00 0.00 H new ATOM 1073 N HIS A 69 1.816 4.150 -10.030 1.00 0.00 N ATOM 1074 CA HIS A 69 2.420 2.824 -10.038 1.00 0.00 C ATOM 1075 C HIS A 69 2.435 2.252 -8.626 1.00 0.00 C ATOM 1076 O HIS A 69 2.237 1.056 -8.420 1.00 0.00 O ATOM 1077 CB HIS A 69 3.845 2.888 -10.591 1.00 0.00 C ATOM 1078 CG HIS A 69 4.459 1.541 -10.819 1.00 0.00 C ATOM 1079 ND1 HIS A 69 3.828 0.360 -10.489 1.00 0.00 N ATOM 1080 CD2 HIS A 69 5.655 1.190 -11.348 1.00 0.00 C ATOM 1081 CE1 HIS A 69 4.608 -0.658 -10.805 1.00 0.00 C ATOM 1082 NE2 HIS A 69 5.723 -0.181 -11.328 1.00 0.00 N ATOM 0 H HIS A 69 2.399 4.883 -10.434 1.00 0.00 H new ATOM 0 HA HIS A 69 1.826 2.174 -10.681 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.837 3.439 -11.532 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.470 3.451 -9.898 1.00 0.00 H new ATOM 0 HD1 HIS A 69 2.903 0.284 -10.067 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.414 1.863 -11.717 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.374 -1.702 -10.660 1.00 0.00 H new ATOM 1091 N MET A 70 2.674 3.130 -7.658 1.00 0.00 N ATOM 1092 CA MET A 70 2.723 2.739 -6.248 1.00 0.00 C ATOM 1093 C MET A 70 1.310 2.610 -5.659 1.00 0.00 C ATOM 1094 O MET A 70 0.948 1.548 -5.152 1.00 0.00 O ATOM 1095 CB MET A 70 3.547 3.764 -5.448 1.00 0.00 C ATOM 1096 CG MET A 70 4.745 4.331 -6.203 1.00 0.00 C ATOM 1097 SD MET A 70 6.314 3.657 -5.625 1.00 0.00 S ATOM 1098 CE MET A 70 6.566 2.328 -6.799 1.00 0.00 C ATOM 0 H MET A 70 2.838 4.123 -7.822 1.00 0.00 H new ATOM 0 HA MET A 70 3.203 1.763 -6.179 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.895 4.587 -5.153 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.900 3.293 -4.531 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.633 4.119 -7.266 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.758 5.415 -6.094 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.500 1.814 -6.572 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.738 1.622 -6.733 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.613 2.738 -7.808 1.00 0.00 H new ATOM 1108 N GLN A 71 0.512 3.684 -5.715 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.847 3.641 -5.169 1.00 0.00 C ATOM 1110 C GLN A 71 -1.666 2.500 -5.774 1.00 0.00 C ATOM 1111 O GLN A 71 -2.582 1.983 -5.133 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.597 4.974 -5.351 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.317 5.709 -6.647 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.591 6.073 -7.389 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -2.834 7.241 -7.692 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -3.411 5.071 -7.682 1.00 0.00 N ATOM 0 H GLN A 71 0.779 4.578 -6.126 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.732 3.462 -4.100 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.668 4.780 -5.288 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.342 5.631 -4.519 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.752 6.616 -6.433 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.691 5.087 -7.287 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.169 4.118 -7.411 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.283 5.254 -8.178 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.339 2.103 -7.001 1.00 0.00 N ATOM 1126 CA ASN A 72 -2.061 1.019 -7.663 1.00 0.00 C ATOM 1127 C ASN A 72 -1.539 -0.343 -7.212 1.00 0.00 C ATOM 1128 O ASN A 72 -2.322 -1.250 -6.928 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.951 1.142 -9.183 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.175 0.597 -9.894 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -3.981 1.355 -10.435 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -3.318 -0.723 -9.898 1.00 0.00 N ATOM 0 H ASN A 72 -0.585 2.511 -7.554 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.110 1.100 -7.379 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.814 2.189 -9.452 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.066 0.606 -9.526 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.121 -1.148 -10.362 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.625 -1.312 -9.437 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.214 -0.480 -7.142 1.00 0.00 N ATOM 1140 CA VAL A 73 0.410 -1.732 -6.718 1.00 0.00 C ATOM 1141 C VAL A 73 -0.304 -2.302 -5.493 1.00 0.00 C ATOM 1142 O VAL A 73 -0.549 -3.506 -5.408 1.00 0.00 O ATOM 1143 CB VAL A 73 1.912 -1.524 -6.406 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.445 -2.601 -5.471 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.719 -1.494 -7.694 1.00 0.00 C ATOM 0 H VAL A 73 0.447 0.261 -7.374 1.00 0.00 H new ATOM 0 HA VAL A 73 0.322 -2.443 -7.539 1.00 0.00 H new ATOM 0 HB VAL A 73 2.016 -0.565 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.502 -2.422 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.892 -2.574 -4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.323 -3.579 -5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.773 -1.347 -7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.593 -2.438 -8.224 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.370 -0.675 -8.323 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.644 -1.425 -4.556 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.343 -1.842 -3.342 1.00 0.00 C ATOM 1157 C VAL A 74 -2.777 -2.262 -3.661 1.00 0.00 C ATOM 1158 O VAL A 74 -3.234 -3.311 -3.208 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.365 -0.727 -2.277 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.173 -1.149 -1.055 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.050 -0.336 -1.867 1.00 0.00 C ATOM 0 H VAL A 74 -0.449 -0.425 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.793 -2.692 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.848 0.143 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.171 -0.343 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.199 -1.365 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.728 -2.041 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.006 0.452 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.562 -1.205 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.595 0.025 -2.739 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.484 -1.449 -4.456 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.857 -1.769 -4.837 1.00 0.00 C ATOM 1173 C ALA A 75 -4.940 -3.208 -5.325 1.00 0.00 C ATOM 1174 O ALA A 75 -5.976 -3.863 -5.210 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.357 -0.813 -5.914 1.00 0.00 C ATOM 0 H ALA A 75 -3.129 -0.574 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.495 -1.655 -3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.382 -1.071 -6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.327 0.209 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.721 -0.893 -6.795 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.824 -3.691 -5.859 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.740 -5.056 -6.359 1.00 0.00 C ATOM 1183 C ASP A 76 -3.628 -6.049 -5.202 1.00 0.00 C ATOM 1184 O ASP A 76 -4.253 -7.108 -5.220 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.538 -5.207 -7.293 1.00 0.00 C ATOM 1186 CG ASP A 76 -2.771 -6.246 -8.372 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -2.547 -7.444 -8.101 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -3.178 -5.861 -9.489 1.00 0.00 O ATOM 0 H ASP A 76 -2.962 -3.154 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.652 -5.271 -6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.320 -4.246 -7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.660 -5.484 -6.709 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.821 -5.700 -4.202 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.623 -6.565 -3.042 1.00 0.00 C ATOM 1195 C HIS A 77 -3.939 -6.825 -2.304 1.00 0.00 C ATOM 1196 O HIS A 77 -4.208 -7.950 -1.883 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.589 -5.959 -2.085 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.305 -5.575 -2.755 1.00 0.00 C ATOM 1199 ND1 HIS A 77 -0.039 -5.834 -4.083 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.795 -4.950 -2.269 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.166 -5.386 -4.385 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.693 -4.846 -3.302 1.00 0.00 N ATOM 0 H HIS A 77 -2.295 -4.827 -4.172 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.248 -7.521 -3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.019 -5.077 -1.610 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.375 -6.676 -1.293 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.938 -4.599 -1.258 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.640 -5.450 -5.353 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.618 -4.420 -3.242 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.757 -5.784 -2.152 1.00 0.00 N ATOM 1212 CA LEU A 78 -6.039 -5.914 -1.470 1.00 0.00 C ATOM 1213 C LEU A 78 -7.006 -6.776 -2.284 1.00 0.00 C ATOM 1214 O LEU A 78 -7.983 -7.297 -1.751 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.661 -4.531 -1.232 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.920 -3.609 -0.250 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.832 -2.475 0.195 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.419 -4.387 0.959 1.00 0.00 C ATOM 0 H LEU A 78 -4.553 -4.844 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.860 -6.399 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.735 -4.020 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.678 -4.672 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.056 -3.189 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.296 -1.829 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.142 -1.895 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.712 -2.888 0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.899 -3.710 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.265 -4.840 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.734 -5.169 0.630 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.735 -6.913 -3.579 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.594 -7.699 -4.460 1.00 0.00 C ATOM 1232 C GLN A 79 -7.468 -9.198 -4.194 1.00 0.00 C ATOM 1233 O GLN A 79 -8.445 -9.858 -3.852 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.258 -7.408 -5.924 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.424 -5.948 -6.310 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.561 -5.724 -7.288 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.131 -6.675 -7.825 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -8.897 -4.462 -7.526 1.00 0.00 N ATOM 0 H GLN A 79 -5.929 -6.491 -4.041 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.623 -7.407 -4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.229 -7.711 -6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.897 -8.018 -6.562 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.602 -5.357 -5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.495 -5.586 -6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.398 -3.705 -7.059 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.654 -4.250 -8.176 1.00 0.00 H new ATOM 1247 N ARG A 80 -6.266 -9.732 -4.376 1.00 0.00 N ATOM 1248 CA ARG A 80 -6.028 -11.161 -4.178 1.00 0.00 C ATOM 1249 C ARG A 80 -6.412 -11.618 -2.772 1.00 0.00 C ATOM 1250 O ARG A 80 -6.770 -12.780 -2.571 1.00 0.00 O ATOM 1251 CB ARG A 80 -4.565 -11.510 -4.454 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.577 -10.478 -3.938 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.526 -11.109 -3.038 1.00 0.00 C ATOM 1254 NE ARG A 80 -1.828 -12.208 -3.700 1.00 0.00 N ATOM 1255 CZ ARG A 80 -0.655 -12.693 -3.296 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -0.047 -12.178 -2.234 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -0.089 -13.694 -3.955 1.00 0.00 N ATOM 0 H ARG A 80 -5.442 -9.201 -4.659 1.00 0.00 H new ATOM 0 HA ARG A 80 -6.665 -11.689 -4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.340 -12.474 -3.998 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -4.426 -11.626 -5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.089 -9.988 -4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.112 -9.705 -3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.804 -10.350 -2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.001 -11.477 -2.128 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.265 -12.629 -4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.478 -11.407 -1.723 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.851 -12.553 -1.929 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.552 -14.093 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.809 -14.065 -3.645 1.00 0.00 H new ATOM 1271 N MET A 81 -6.324 -10.719 -1.797 1.00 0.00 N ATOM 1272 CA MET A 81 -6.653 -11.072 -0.418 1.00 0.00 C ATOM 1273 C MET A 81 -8.159 -11.050 -0.157 1.00 0.00 C ATOM 1274 O MET A 81 -8.628 -11.605 0.836 1.00 0.00 O ATOM 1275 CB MET A 81 -5.927 -10.147 0.568 1.00 0.00 C ATOM 1276 CG MET A 81 -6.267 -8.665 0.439 1.00 0.00 C ATOM 1277 SD MET A 81 -7.949 -8.267 0.962 1.00 0.00 S ATOM 1278 CE MET A 81 -7.638 -6.918 2.096 1.00 0.00 C ATOM 0 H MET A 81 -6.031 -9.751 -1.932 1.00 0.00 H new ATOM 0 HA MET A 81 -6.311 -12.095 -0.262 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.160 -10.470 1.583 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.852 -10.270 0.433 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.562 -8.085 1.035 1.00 0.00 H new ATOM 0 HG3 MET A 81 -6.135 -8.358 -0.599 1.00 0.00 H new ATOM 0 HE1 MET A 81 -8.086 -7.145 3.063 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.563 -6.784 2.216 1.00 0.00 H new ATOM 0 HE3 MET A 81 -8.076 -6.002 1.700 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.562 -4.929 -5.791 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.293 -4.027 -4.661 1.00 0.00 C ATOM 1351 C LEU A 87 -11.908 -2.649 -4.828 1.00 0.00 C ATOM 1352 O LEU A 87 -11.387 -1.815 -5.570 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.787 -3.845 -4.430 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.251 -4.333 -3.079 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.271 -3.196 -2.070 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -10.040 -5.523 -2.545 1.00 0.00 C ATOM 0 HA LEU A 87 -11.757 -4.514 -3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.252 -4.370 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.549 -2.786 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.225 -4.666 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.889 -3.552 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.645 -2.379 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.294 -2.841 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.625 -5.834 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.084 -5.238 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.977 -6.349 -3.253 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.972 -2.385 -4.092 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.580 -1.073 -4.138 1.00 0.00 C ATOM 1370 C GLU A 88 -12.643 -0.104 -3.435 1.00 0.00 C ATOM 1371 O GLU A 88 -12.629 -0.025 -2.207 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.943 -1.088 -3.446 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.719 0.209 -3.597 1.00 0.00 C ATOM 1374 CD GLU A 88 -15.771 1.011 -2.312 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -14.837 0.884 -1.493 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -16.747 1.769 -2.124 1.00 0.00 O ATOM 0 H GLU A 88 -13.425 -3.051 -3.466 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.738 -0.768 -5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.538 -1.906 -3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.800 -1.294 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.260 0.813 -4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.735 -0.016 -3.922 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.844 0.616 -4.211 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.891 1.553 -3.638 1.00 0.00 C ATOM 1385 C ILE A 89 -10.949 2.906 -4.344 1.00 0.00 C ATOM 1386 O ILE A 89 -10.853 2.971 -5.570 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.436 0.991 -3.687 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.793 1.141 -5.079 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.421 -0.470 -3.273 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -9.137 0.021 -6.039 1.00 0.00 C ATOM 0 H ILE A 89 -11.837 0.569 -5.230 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.172 1.692 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.845 1.581 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.109 2.089 -5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.710 1.188 -4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.400 -0.849 -3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.805 -0.564 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.048 -1.047 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.647 0.199 -6.996 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.796 -0.929 -5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.217 -0.014 -6.185 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.084 3.991 -3.583 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.113 5.308 -4.194 1.00 0.00 C ATOM 1404 C ALA A 90 -9.744 5.951 -4.075 1.00 0.00 C ATOM 1405 O ALA A 90 -9.305 6.311 -2.983 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.172 6.200 -3.556 1.00 0.00 C ATOM 0 H ALA A 90 -11.173 3.982 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.374 5.191 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.164 7.177 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.154 5.743 -3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.956 6.319 -2.494 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.073 6.091 -5.206 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.748 6.691 -5.230 1.00 0.00 C ATOM 1414 C TRP A 91 -7.835 8.192 -5.464 1.00 0.00 C ATOM 1415 O TRP A 91 -8.569 8.656 -6.336 1.00 0.00 O ATOM 1416 CB TRP A 91 -6.874 6.040 -6.308 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.582 5.812 -7.610 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.092 6.763 -8.447 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.851 4.548 -8.229 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.667 6.168 -9.544 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -8.532 4.809 -9.434 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -7.584 3.219 -7.882 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -8.948 3.793 -10.290 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -7.998 2.212 -8.734 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -8.673 2.504 -9.925 1.00 0.00 C ATOM 0 H TRP A 91 -9.422 5.798 -6.118 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.288 6.518 -4.257 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -6.003 6.671 -6.485 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.505 5.085 -5.934 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.050 7.828 -8.272 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.121 6.658 -10.315 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -7.064 2.984 -6.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -9.469 4.015 -11.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -7.797 1.183 -8.476 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -8.983 1.694 -10.569 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.083 8.946 -4.676 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.073 10.399 -4.797 1.00 0.00 C ATOM 1438 C GLN A 92 -6.008 10.843 -5.797 1.00 0.00 C ATOM 1439 O GLN A 92 -5.013 10.150 -6.007 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.813 11.046 -3.435 1.00 0.00 C ATOM 1441 CG GLN A 92 -7.927 10.810 -2.428 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.615 11.398 -1.066 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -6.688 12.195 -0.918 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -8.389 11.006 -0.061 1.00 0.00 N ATOM 0 H GLN A 92 -6.472 8.578 -3.947 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.050 10.720 -5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.879 10.657 -3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.679 12.119 -3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.852 11.247 -2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.099 9.738 -2.326 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.146 10.344 -0.229 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.226 11.367 0.879 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.210 12.008 -6.437 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.270 12.540 -7.427 1.00 0.00 C ATOM 1455 C PRO A 93 -3.824 12.497 -6.953 1.00 0.00 C ATOM 1456 O PRO A 93 -2.918 12.220 -7.739 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.719 13.986 -7.594 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.176 13.970 -7.282 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.377 12.893 -6.249 1.00 0.00 C ATOM 0 HA PRO A 93 -5.284 11.955 -8.347 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.177 14.649 -6.919 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.535 14.343 -8.607 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.503 14.938 -6.902 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.763 13.764 -8.177 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.409 13.306 -5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.314 12.359 -6.404 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.619 12.786 -5.665 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.283 12.794 -5.061 1.00 0.00 C ATOM 1469 C ALA A 94 -1.705 14.206 -5.039 1.00 0.00 C ATOM 1470 O ALA A 94 -0.490 14.389 -5.108 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.327 11.852 -5.789 1.00 0.00 C ATOM 0 H ALA A 94 -4.369 13.020 -5.015 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.393 12.439 -4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.348 11.887 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.716 10.835 -5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.234 12.161 -6.830 1.00 0.00 H new