USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 620 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 89 ASN : amide:sc= 0.323 K(o=0.64,f=0) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.321 USER MOD Set 2.1: A 43 GLN : amide:sc= 0.304 K(o=1.1,f=-6.3!) USER MOD Set 2.2: A 46 LYS NZ :NH3+ -147:sc= 0.802 (180deg=-0.935!) USER MOD Set 3.1: A 41 SER OG : rot -63:sc= 0.794 USER MOD Set 3.2: A 62 ASN : amide:sc= 0.704 K(o=1.5,f=-0.044) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0.712 (180deg=0.616) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 THR OG1 : rot 147:sc= 0.613 USER MOD Single : A 33 MET CE :methyl -169:sc= -2.1! (180deg=-2.37!) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0.787 (180deg=0.583) USER MOD Single : A 35 ASN : amide:sc= 0.325 X(o=0.32,f=-0.08) USER MOD Single : A 40 CYS SG : rot -79:sc= 0.0957 USER MOD Single : A 52 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -31:sc= 0.35 USER MOD Single : A 57 THR OG1 : rot 4:sc= 0.213 USER MOD Single : A 59 SER OG : rot 180:sc= -0.15 USER MOD Single : A 60 SER OG : rot 180:sc= 0.58 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 69 THR OG1 : rot -65:sc= 1.27 USER MOD Single : A 76 SER OG : rot -122:sc= 0.0144 USER MOD Single : A 88 ASN : amide:sc= 0.253 K(o=0.25,f=-7.5!) USER MOD Single : A 95 SER OG : rot -83:sc= 0.312 USER MOD Single : A 104 ASN : amide:sc= 0.285 K(o=0.29,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 25 9.439 13.287 6.932 1.00 0.00 N ATOM 2 CA PRO A 25 10.007 14.533 6.380 1.00 0.00 C ATOM 3 C PRO A 25 8.955 15.656 6.215 1.00 0.00 C ATOM 4 O PRO A 25 8.294 15.987 7.199 1.00 0.00 O ATOM 5 CB PRO A 25 10.740 14.095 5.097 1.00 0.00 C ATOM 6 CG PRO A 25 11.292 12.711 5.469 1.00 0.00 C ATOM 7 CD PRO A 25 10.530 12.307 6.738 1.00 0.00 C ATOM 0 HA PRO A 25 10.712 15.015 7.057 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.064 14.044 4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.537 14.789 4.831 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.130 11.992 4.666 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.366 12.750 5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.127 11.299 6.639 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.197 12.300 7.600 1.00 0.00 H new ATOM 15 N ALA A 26 8.749 16.214 5.007 1.00 0.00 N ATOM 16 CA ALA A 26 7.633 17.129 4.679 1.00 0.00 C ATOM 17 C ALA A 26 6.264 16.544 5.100 1.00 0.00 C ATOM 18 O ALA A 26 5.386 17.240 5.614 1.00 0.00 O ATOM 19 CB ALA A 26 7.674 17.401 3.172 1.00 0.00 C ATOM 0 H ALA A 26 9.365 16.039 4.213 1.00 0.00 H new ATOM 0 HA ALA A 26 7.751 18.059 5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.861 18.074 2.902 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.627 17.861 2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.563 16.462 2.630 1.00 0.00 H new ATOM 25 N LYS A 27 6.152 15.227 4.919 1.00 0.00 N ATOM 26 CA LYS A 27 5.144 14.300 5.434 1.00 0.00 C ATOM 27 C LYS A 27 5.878 13.020 5.840 1.00 0.00 C ATOM 28 O LYS A 27 7.054 12.839 5.514 1.00 0.00 O ATOM 29 CB LYS A 27 4.079 13.993 4.355 1.00 0.00 C ATOM 30 CG LYS A 27 2.714 14.629 4.635 1.00 0.00 C ATOM 31 CD LYS A 27 2.004 14.042 5.865 1.00 0.00 C ATOM 32 CE LYS A 27 0.480 14.140 5.755 1.00 0.00 C ATOM 33 NZ LYS A 27 0.002 15.552 5.729 1.00 0.00 N ATOM 0 H LYS A 27 6.837 14.732 4.348 1.00 0.00 H new ATOM 0 HA LYS A 27 4.622 14.736 6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.442 14.345 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.957 12.913 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.845 15.702 4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.076 14.500 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.291 12.997 5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.337 14.568 6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.150 13.631 4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.023 13.620 6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.032 15.566 5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.263 16.023 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.441 16.053 4.930 1.00 0.00 H new ATOM 47 N ARG A 28 5.197 12.141 6.564 1.00 0.00 N ATOM 48 CA ARG A 28 5.588 10.743 6.805 1.00 0.00 C ATOM 49 C ARG A 28 4.350 9.941 7.204 1.00 0.00 C ATOM 50 O ARG A 28 4.288 9.293 8.243 1.00 0.00 O ATOM 51 CB ARG A 28 6.770 10.607 7.776 1.00 0.00 C ATOM 52 CG ARG A 28 6.538 11.163 9.185 1.00 0.00 C ATOM 53 CD ARG A 28 7.255 10.261 10.193 1.00 0.00 C ATOM 54 NE ARG A 28 6.619 8.923 10.284 1.00 0.00 N ATOM 55 CZ ARG A 28 5.490 8.614 10.904 1.00 0.00 C ATOM 56 NH1 ARG A 28 4.873 9.421 11.714 1.00 0.00 N ATOM 57 NH2 ARG A 28 4.906 7.469 10.720 1.00 0.00 N ATOM 0 H ARG A 28 4.319 12.385 7.022 1.00 0.00 H new ATOM 0 HA ARG A 28 5.976 10.316 5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.028 9.551 7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.633 11.113 7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.915 12.183 9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.471 11.202 9.405 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.299 10.148 9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.247 10.735 11.175 1.00 0.00 H new ATOM 0 HE ARG A 28 7.105 8.157 9.818 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.256 10.348 11.900 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.006 9.128 12.163 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.316 6.783 10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.037 7.255 11.210 1.00 0.00 H new ATOM 71 N TYR A 29 3.306 10.118 6.399 1.00 0.00 N ATOM 72 CA TYR A 29 1.996 9.512 6.612 1.00 0.00 C ATOM 73 C TYR A 29 2.101 7.984 6.745 1.00 0.00 C ATOM 74 O TYR A 29 3.096 7.384 6.339 1.00 0.00 O ATOM 75 CB TYR A 29 1.092 9.928 5.444 1.00 0.00 C ATOM 76 CG TYR A 29 1.343 9.172 4.161 1.00 0.00 C ATOM 77 CD1 TYR A 29 0.848 7.857 4.013 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.036 9.788 3.116 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.109 7.127 2.852 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.214 9.090 1.919 1.00 0.00 C ATOM 81 CZ TYR A 29 1.782 7.747 1.783 1.00 0.00 C ATOM 82 OH TYR A 29 1.957 7.065 0.622 1.00 0.00 O ATOM 0 H TYR A 29 3.349 10.700 5.562 1.00 0.00 H new ATOM 0 HA TYR A 29 1.565 9.863 7.550 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.052 9.786 5.737 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.228 10.993 5.256 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.263 7.413 4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.428 10.788 3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.797 6.096 2.775 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.689 9.582 1.083 1.00 0.00 H new ATOM 0 HH TYR A 29 1.217 6.435 0.498 1.00 0.00 H new ATOM 92 N ARG A 30 1.052 7.329 7.247 1.00 0.00 N ATOM 93 CA ARG A 30 0.997 5.862 7.285 1.00 0.00 C ATOM 94 C ARG A 30 -0.416 5.389 7.006 1.00 0.00 C ATOM 95 O ARG A 30 -1.297 5.539 7.854 1.00 0.00 O ATOM 96 CB ARG A 30 1.532 5.355 8.629 1.00 0.00 C ATOM 97 CG ARG A 30 1.458 3.838 8.861 1.00 0.00 C ATOM 98 CD ARG A 30 2.473 3.051 8.043 1.00 0.00 C ATOM 99 NE ARG A 30 3.853 3.409 8.405 1.00 0.00 N ATOM 100 CZ ARG A 30 4.857 2.591 8.629 1.00 0.00 C ATOM 101 NH1 ARG A 30 4.802 1.327 8.347 1.00 0.00 N ATOM 102 NH2 ARG A 30 5.944 3.064 9.151 1.00 0.00 N ATOM 0 H ARG A 30 0.228 7.789 7.633 1.00 0.00 H new ATOM 0 HA ARG A 30 1.635 5.446 6.505 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.573 5.665 8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.979 5.851 9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.617 3.632 9.919 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.455 3.489 8.615 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.320 1.983 8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.313 3.242 6.982 1.00 0.00 H new ATOM 0 HE ARG A 30 4.054 4.405 8.492 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.956 0.933 7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.604 0.727 8.537 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.010 4.056 9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.734 2.445 9.332 1.00 0.00 H new ATOM 116 N ILE A 31 -0.618 4.826 5.817 1.00 0.00 N ATOM 117 CA ILE A 31 -1.849 4.103 5.489 1.00 0.00 C ATOM 118 C ILE A 31 -1.762 2.665 5.945 1.00 0.00 C ATOM 119 O ILE A 31 -0.668 2.138 6.077 1.00 0.00 O ATOM 120 CB ILE A 31 -2.212 4.146 3.996 1.00 0.00 C ATOM 121 CG1 ILE A 31 -1.182 3.444 3.094 1.00 0.00 C ATOM 122 CG2 ILE A 31 -2.413 5.592 3.567 1.00 0.00 C ATOM 123 CD1 ILE A 31 -1.631 3.312 1.639 1.00 0.00 C ATOM 0 H ILE A 31 0.061 4.856 5.057 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.645 4.620 6.025 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.140 3.587 3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.245 3.999 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.979 2.451 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.671 5.625 2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.219 6.036 4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.493 6.152 3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.855 2.808 1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.552 2.731 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.807 4.303 1.221 1.00 0.00 H new ATOM 135 N THR A 32 -2.926 2.047 6.073 1.00 0.00 N ATOM 136 CA THR A 32 -3.193 0.624 6.292 1.00 0.00 C ATOM 137 C THR A 32 -3.931 0.074 5.081 1.00 0.00 C ATOM 138 O THR A 32 -4.742 0.776 4.475 1.00 0.00 O ATOM 139 CB THR A 32 -4.085 0.448 7.522 1.00 0.00 C ATOM 140 OG1 THR A 32 -3.351 0.843 8.662 1.00 0.00 O ATOM 141 CG2 THR A 32 -4.542 -0.996 7.766 1.00 0.00 C ATOM 0 H THR A 32 -3.796 2.577 6.022 1.00 0.00 H new ATOM 0 HA THR A 32 -2.251 0.097 6.443 1.00 0.00 H new ATOM 0 HB THR A 32 -4.975 1.052 7.343 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.958 1.245 9.318 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.170 -1.033 8.656 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.111 -1.348 6.906 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.670 -1.634 7.910 1.00 0.00 H new ATOM 149 N MET A 33 -3.660 -1.191 4.767 1.00 0.00 N ATOM 150 CA MET A 33 -4.208 -1.925 3.639 1.00 0.00 C ATOM 151 C MET A 33 -4.514 -3.374 4.030 1.00 0.00 C ATOM 152 O MET A 33 -3.643 -4.090 4.538 1.00 0.00 O ATOM 153 CB MET A 33 -3.224 -1.914 2.445 1.00 0.00 C ATOM 154 CG MET A 33 -2.625 -0.530 2.149 1.00 0.00 C ATOM 155 SD MET A 33 -2.132 -0.085 0.457 1.00 0.00 S ATOM 156 CE MET A 33 -1.494 -1.653 -0.148 1.00 0.00 C ATOM 0 H MET A 33 -3.019 -1.757 5.324 1.00 0.00 H new ATOM 0 HA MET A 33 -5.134 -1.431 3.343 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.414 -2.615 2.647 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.742 -2.273 1.556 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.351 0.213 2.479 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.744 -0.418 2.781 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.979 -1.495 -1.095 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.796 -2.067 0.580 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.320 -2.349 -0.296 1.00 0.00 H new ATOM 166 N LYS A 34 -5.762 -3.793 3.811 1.00 0.00 N ATOM 167 CA LYS A 34 -6.285 -5.123 4.165 1.00 0.00 C ATOM 168 C LYS A 34 -7.610 -5.432 3.554 1.00 0.00 C ATOM 169 O LYS A 34 -8.280 -4.494 3.142 1.00 0.00 O ATOM 170 CB LYS A 34 -6.707 -5.207 5.653 1.00 0.00 C ATOM 171 CG LYS A 34 -6.800 -3.964 6.545 1.00 0.00 C ATOM 172 CD LYS A 34 -8.090 -3.207 6.182 1.00 0.00 C ATOM 173 CE LYS A 34 -8.363 -2.024 7.111 1.00 0.00 C ATOM 174 NZ LYS A 34 -9.597 -1.317 6.690 1.00 0.00 N ATOM 0 H LYS A 34 -6.463 -3.199 3.368 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.469 -5.773 3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.687 -5.683 5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.010 -5.890 6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.811 -4.251 7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.930 -3.324 6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.019 -2.848 5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.934 -3.896 6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.468 -2.375 8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.517 -1.336 7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.895 -0.662 7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.410 -0.782 5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.352 -2.011 6.516 1.00 0.00 H new ATOM 188 N ASN A 35 -8.021 -6.700 3.655 1.00 0.00 N ATOM 189 CA ASN A 35 -9.444 -6.985 3.663 1.00 0.00 C ATOM 190 C ASN A 35 -9.835 -8.376 4.186 1.00 0.00 C ATOM 191 O ASN A 35 -10.434 -8.449 5.264 1.00 0.00 O ATOM 192 CB ASN A 35 -10.094 -6.514 2.360 1.00 0.00 C ATOM 193 CG ASN A 35 -11.388 -7.194 1.956 1.00 0.00 C ATOM 194 OD1 ASN A 35 -12.353 -7.277 2.700 1.00 0.00 O ATOM 195 ND2 ASN A 35 -11.426 -7.693 0.738 1.00 0.00 N ATOM 0 H ASN A 35 -7.409 -7.512 3.729 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.900 -6.378 4.445 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.284 -5.444 2.443 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.374 -6.648 1.553 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.270 -8.157 0.403 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.611 -7.615 0.129 1.00 0.00 H new ATOM 202 N LEU A 36 -9.468 -9.451 3.487 1.00 0.00 N ATOM 203 CA LEU A 36 -9.685 -10.863 3.858 1.00 0.00 C ATOM 204 C LEU A 36 -9.154 -11.841 2.787 1.00 0.00 C ATOM 205 O LEU A 36 -8.487 -12.811 3.154 1.00 0.00 O ATOM 206 CB LEU A 36 -11.173 -11.197 4.164 1.00 0.00 C ATOM 207 CG LEU A 36 -11.346 -12.101 5.393 1.00 0.00 C ATOM 208 CD1 LEU A 36 -11.061 -11.370 6.709 1.00 0.00 C ATOM 209 CD2 LEU A 36 -12.784 -12.617 5.460 1.00 0.00 C ATOM 0 H LEU A 36 -8.983 -9.362 2.594 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.113 -10.996 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.722 -10.269 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.616 -11.685 3.296 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.629 -12.914 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.199 -12.057 7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.035 -11.003 6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.747 -10.529 6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.900 -13.258 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.470 -11.773 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.008 -13.188 4.559 1.00 0.00 H new ATOM 221 N PRO A 37 -9.441 -11.632 1.477 1.00 0.00 N ATOM 222 CA PRO A 37 -9.069 -12.546 0.394 1.00 0.00 C ATOM 223 C PRO A 37 -7.562 -12.722 0.138 1.00 0.00 C ATOM 224 O PRO A 37 -7.198 -13.530 -0.705 1.00 0.00 O ATOM 225 CB PRO A 37 -9.756 -11.997 -0.855 1.00 0.00 C ATOM 226 CG PRO A 37 -10.954 -11.242 -0.302 1.00 0.00 C ATOM 227 CD PRO A 37 -10.341 -10.623 0.940 1.00 0.00 C ATOM 0 HA PRO A 37 -9.387 -13.549 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.095 -11.341 -1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.063 -12.797 -1.528 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.328 -10.491 -0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.788 -11.903 -0.067 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.802 -9.707 0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.110 -10.357 1.666 1.00 0.00 H new ATOM 235 N GLU A 38 -6.680 -11.981 0.814 1.00 0.00 N ATOM 236 CA GLU A 38 -5.237 -11.995 0.575 1.00 0.00 C ATOM 237 C GLU A 38 -4.319 -12.406 1.712 1.00 0.00 C ATOM 238 O GLU A 38 -3.330 -13.100 1.459 1.00 0.00 O ATOM 239 CB GLU A 38 -4.774 -10.680 -0.076 1.00 0.00 C ATOM 240 CG GLU A 38 -5.437 -9.358 0.345 1.00 0.00 C ATOM 241 CD GLU A 38 -5.702 -9.256 1.855 1.00 0.00 C ATOM 242 OE1 GLU A 38 -4.743 -9.001 2.615 1.00 0.00 O ATOM 243 OE2 GLU A 38 -6.857 -9.512 2.271 1.00 0.00 O ATOM 0 H GLU A 38 -6.957 -11.341 1.559 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.123 -12.831 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.704 -10.583 0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.905 -10.784 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.800 -8.528 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.381 -9.248 -0.189 1.00 0.00 H new ATOM 250 N GLY A 39 -4.633 -12.028 2.940 1.00 0.00 N ATOM 251 CA GLY A 39 -3.694 -12.139 4.043 1.00 0.00 C ATOM 252 C GLY A 39 -2.274 -11.664 3.679 1.00 0.00 C ATOM 253 O GLY A 39 -1.289 -12.352 3.960 1.00 0.00 O ATOM 0 H GLY A 39 -5.539 -11.638 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.062 -11.553 4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.650 -13.177 4.372 1.00 0.00 H new ATOM 257 N CYS A 40 -2.193 -10.538 2.963 1.00 0.00 N ATOM 258 CA CYS A 40 -0.998 -10.044 2.280 1.00 0.00 C ATOM 259 C CYS A 40 0.269 -9.864 3.151 1.00 0.00 C ATOM 260 O CYS A 40 0.195 -9.502 4.326 1.00 0.00 O ATOM 261 CB CYS A 40 -1.375 -8.745 1.547 1.00 0.00 C ATOM 262 SG CYS A 40 -1.972 -7.472 2.702 1.00 0.00 S ATOM 0 H CYS A 40 -2.995 -9.920 2.840 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.692 -10.826 1.585 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.508 -8.367 1.005 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.146 -8.955 0.806 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.211 -7.714 3.012 1.00 0.00 H new ATOM 268 N SER A 41 1.442 -10.051 2.532 1.00 0.00 N ATOM 269 CA SER A 41 2.775 -9.724 3.064 1.00 0.00 C ATOM 270 C SER A 41 3.356 -8.510 2.319 1.00 0.00 C ATOM 271 O SER A 41 2.790 -8.056 1.320 1.00 0.00 O ATOM 272 CB SER A 41 3.716 -10.924 2.892 1.00 0.00 C ATOM 273 OG SER A 41 3.239 -12.070 3.575 1.00 0.00 O ATOM 0 H SER A 41 1.491 -10.456 1.597 1.00 0.00 H new ATOM 0 HA SER A 41 2.681 -9.486 4.124 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.824 -11.152 1.832 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.707 -10.665 3.265 1.00 0.00 H new ATOM 0 HG SER A 41 3.218 -11.892 4.538 1.00 0.00 H new ATOM 279 N TRP A 42 4.506 -7.968 2.749 1.00 0.00 N ATOM 280 CA TRP A 42 5.105 -6.824 2.048 1.00 0.00 C ATOM 281 C TRP A 42 5.435 -7.138 0.592 1.00 0.00 C ATOM 282 O TRP A 42 5.370 -6.256 -0.255 1.00 0.00 O ATOM 283 CB TRP A 42 6.334 -6.247 2.760 1.00 0.00 C ATOM 284 CG TRP A 42 6.895 -4.963 2.182 1.00 0.00 C ATOM 285 CD1 TRP A 42 8.198 -4.605 2.244 1.00 0.00 C ATOM 286 CD2 TRP A 42 6.241 -3.886 1.417 1.00 0.00 C ATOM 287 NE1 TRP A 42 8.403 -3.419 1.563 1.00 0.00 N ATOM 288 CE2 TRP A 42 7.242 -2.966 0.980 1.00 0.00 C ATOM 289 CE3 TRP A 42 4.916 -3.598 1.013 1.00 0.00 C ATOM 290 CZ2 TRP A 42 6.961 -1.894 0.115 1.00 0.00 C ATOM 291 CZ3 TRP A 42 4.623 -2.545 0.139 1.00 0.00 C ATOM 292 CH2 TRP A 42 5.642 -1.709 -0.332 1.00 0.00 C ATOM 0 H TRP A 42 5.030 -8.295 3.561 1.00 0.00 H new ATOM 0 HA TRP A 42 4.333 -6.055 2.064 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.074 -6.069 3.804 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.121 -7.001 2.751 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.968 -5.165 2.753 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.302 -2.940 1.501 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.108 -4.208 1.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.746 -1.223 -0.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.603 -2.376 -0.174 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.415 -0.923 -1.037 1.00 0.00 H new ATOM 303 N GLN A 43 5.736 -8.392 0.254 1.00 0.00 N ATOM 304 CA GLN A 43 5.994 -8.744 -1.134 1.00 0.00 C ATOM 305 C GLN A 43 4.752 -8.685 -2.002 1.00 0.00 C ATOM 306 O GLN A 43 4.809 -8.281 -3.168 1.00 0.00 O ATOM 307 CB GLN A 43 6.651 -10.127 -1.273 1.00 0.00 C ATOM 308 CG GLN A 43 7.726 -10.452 -0.235 1.00 0.00 C ATOM 309 CD GLN A 43 8.966 -9.550 -0.297 1.00 0.00 C ATOM 310 OE1 GLN A 43 8.909 -8.347 -0.529 1.00 0.00 O ATOM 311 NE2 GLN A 43 10.150 -10.090 -0.108 1.00 0.00 N ATOM 0 H GLN A 43 5.805 -9.167 0.914 1.00 0.00 H new ATOM 0 HA GLN A 43 6.691 -7.986 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.872 -10.887 -1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.095 -10.201 -2.266 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.287 -10.376 0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.039 -11.488 -0.367 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.230 -11.088 0.087 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.988 -9.511 -0.156 1.00 0.00 H new ATOM 320 N ASP A 44 3.622 -9.039 -1.405 1.00 0.00 N ATOM 321 CA ASP A 44 2.356 -9.069 -2.100 1.00 0.00 C ATOM 322 C ASP A 44 1.893 -7.644 -2.387 1.00 0.00 C ATOM 323 O ASP A 44 1.576 -7.273 -3.519 1.00 0.00 O ATOM 324 CB ASP A 44 1.346 -9.756 -1.185 1.00 0.00 C ATOM 325 CG ASP A 44 1.532 -11.272 -1.059 1.00 0.00 C ATOM 326 OD1 ASP A 44 1.566 -11.983 -2.091 1.00 0.00 O ATOM 327 OD2 ASP A 44 1.615 -11.743 0.089 1.00 0.00 O ATOM 0 H ASP A 44 3.564 -9.313 -0.424 1.00 0.00 H new ATOM 0 HA ASP A 44 2.450 -9.604 -3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.412 -9.311 -0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.342 -9.556 -1.558 1.00 0.00 H new ATOM 332 N LEU A 45 1.915 -6.833 -1.331 1.00 0.00 N ATOM 333 CA LEU A 45 1.496 -5.449 -1.362 1.00 0.00 C ATOM 334 C LEU A 45 2.377 -4.567 -2.228 1.00 0.00 C ATOM 335 O LEU A 45 1.849 -3.743 -2.962 1.00 0.00 O ATOM 336 CB LEU A 45 1.530 -4.947 0.065 1.00 0.00 C ATOM 337 CG LEU A 45 0.321 -5.368 0.895 1.00 0.00 C ATOM 338 CD1 LEU A 45 0.424 -4.573 2.187 1.00 0.00 C ATOM 339 CD2 LEU A 45 -1.013 -5.087 0.199 1.00 0.00 C ATOM 0 H LEU A 45 2.234 -7.136 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 45 0.500 -5.400 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.436 -5.314 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.592 -3.859 0.056 1.00 0.00 H new ATOM 0 HG LEU A 45 0.333 -6.446 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.415 -4.824 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.359 -4.817 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.402 -3.507 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.833 -5.409 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.103 -4.019 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.054 -5.633 -0.743 1.00 0.00 H new ATOM 351 N LYS A 46 3.696 -4.758 -2.156 1.00 0.00 N ATOM 352 CA LYS A 46 4.664 -4.170 -3.075 1.00 0.00 C ATOM 353 C LYS A 46 4.300 -4.537 -4.492 1.00 0.00 C ATOM 354 O LYS A 46 4.077 -3.631 -5.270 1.00 0.00 O ATOM 355 CB LYS A 46 6.045 -4.660 -2.670 1.00 0.00 C ATOM 356 CG LYS A 46 7.149 -4.044 -3.515 1.00 0.00 C ATOM 357 CD LYS A 46 8.513 -4.650 -3.204 1.00 0.00 C ATOM 358 CE LYS A 46 8.986 -4.537 -1.738 1.00 0.00 C ATOM 359 NZ LYS A 46 8.401 -5.574 -0.837 1.00 0.00 N ATOM 0 H LYS A 46 4.128 -5.340 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 46 4.660 -3.081 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.219 -4.422 -1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.084 -5.745 -2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.921 -4.189 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.182 -2.969 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.491 -5.705 -3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.255 -4.171 -3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.073 -4.615 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.727 -3.549 -1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.271 -5.174 0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.481 -5.881 -1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.043 -6.390 -0.785 1.00 0.00 H new ATOM 373 N ASP A 47 4.168 -5.812 -4.832 1.00 0.00 N ATOM 374 CA ASP A 47 3.918 -6.169 -6.227 1.00 0.00 C ATOM 375 C ASP A 47 2.654 -5.539 -6.771 1.00 0.00 C ATOM 376 O ASP A 47 2.717 -4.913 -7.826 1.00 0.00 O ATOM 377 CB ASP A 47 3.840 -7.688 -6.396 1.00 0.00 C ATOM 378 CG ASP A 47 4.306 -8.186 -7.771 1.00 0.00 C ATOM 379 OD1 ASP A 47 5.247 -7.608 -8.362 1.00 0.00 O ATOM 380 OD2 ASP A 47 3.743 -9.195 -8.254 1.00 0.00 O ATOM 0 H ASP A 47 4.227 -6.598 -4.185 1.00 0.00 H new ATOM 0 HA ASP A 47 4.760 -5.778 -6.798 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.447 -8.161 -5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.811 -8.009 -6.234 1.00 0.00 H new ATOM 385 N LEU A 48 1.550 -5.589 -6.014 1.00 0.00 N ATOM 386 CA LEU A 48 0.377 -4.841 -6.430 1.00 0.00 C ATOM 387 C LEU A 48 0.686 -3.350 -6.517 1.00 0.00 C ATOM 388 O LEU A 48 0.361 -2.721 -7.513 1.00 0.00 O ATOM 389 CB LEU A 48 -0.877 -5.146 -5.594 1.00 0.00 C ATOM 390 CG LEU A 48 -2.095 -4.294 -6.035 1.00 0.00 C ATOM 391 CD1 LEU A 48 -3.413 -4.857 -5.537 1.00 0.00 C ATOM 392 CD2 LEU A 48 -2.052 -2.886 -5.486 1.00 0.00 C ATOM 0 H LEU A 48 1.452 -6.118 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 48 0.124 -5.184 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.124 -6.204 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.665 -4.957 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.034 -4.306 -7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.231 -4.221 -5.875 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.550 -5.864 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.406 -4.891 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.929 -2.336 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.046 -2.920 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.150 -2.386 -5.838 1.00 0.00 H new ATOM 404 N ALA A 49 1.305 -2.737 -5.527 1.00 0.00 N ATOM 405 CA ALA A 49 1.648 -1.327 -5.593 1.00 0.00 C ATOM 406 C ALA A 49 2.492 -0.979 -6.844 1.00 0.00 C ATOM 407 O ALA A 49 2.307 0.078 -7.449 1.00 0.00 O ATOM 408 CB ALA A 49 2.319 -0.966 -4.279 1.00 0.00 C ATOM 0 H ALA A 49 1.583 -3.197 -4.660 1.00 0.00 H new ATOM 0 HA ALA A 49 0.751 -0.720 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.593 0.089 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.631 -1.155 -3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.215 -1.573 -4.149 1.00 0.00 H new ATOM 414 N ARG A 50 3.347 -1.900 -7.295 1.00 0.00 N ATOM 415 CA ARG A 50 4.151 -1.750 -8.516 1.00 0.00 C ATOM 416 C ARG A 50 3.287 -1.965 -9.780 1.00 0.00 C ATOM 417 O ARG A 50 3.606 -1.418 -10.831 1.00 0.00 O ATOM 418 CB ARG A 50 5.435 -2.607 -8.438 1.00 0.00 C ATOM 419 CG ARG A 50 6.247 -2.581 -7.111 1.00 0.00 C ATOM 420 CD ARG A 50 6.046 -1.427 -6.108 1.00 0.00 C ATOM 421 NE ARG A 50 7.275 -0.724 -5.689 1.00 0.00 N ATOM 422 CZ ARG A 50 7.894 0.235 -6.356 1.00 0.00 C ATOM 423 NH1 ARG A 50 7.699 0.483 -7.616 1.00 0.00 N ATOM 424 NH2 ARG A 50 8.722 1.032 -5.755 1.00 0.00 N ATOM 0 H ARG A 50 3.505 -2.787 -6.816 1.00 0.00 H new ATOM 0 HA ARG A 50 4.506 -0.723 -8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.159 -3.642 -8.641 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.098 -2.290 -9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.035 -3.511 -6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.304 -2.599 -7.377 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.366 -0.699 -6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.555 -1.823 -5.219 1.00 0.00 H new ATOM 0 HE ARG A 50 7.686 -1.005 -4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.035 -0.078 -8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.210 1.239 -8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.902 0.923 -4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.194 1.768 -6.280 1.00 0.00 H new ATOM 438 N GLU A 51 2.154 -2.670 -9.658 1.00 0.00 N ATOM 439 CA GLU A 51 1.064 -2.727 -10.666 1.00 0.00 C ATOM 440 C GLU A 51 0.344 -1.385 -10.807 1.00 0.00 C ATOM 441 O GLU A 51 -0.039 -0.946 -11.889 1.00 0.00 O ATOM 442 CB GLU A 51 -0.049 -3.744 -10.318 1.00 0.00 C ATOM 443 CG GLU A 51 0.444 -5.184 -10.196 1.00 0.00 C ATOM 444 CD GLU A 51 0.419 -5.959 -11.523 1.00 0.00 C ATOM 445 OE1 GLU A 51 0.878 -5.436 -12.568 1.00 0.00 O ATOM 446 OE2 GLU A 51 -0.031 -7.131 -11.510 1.00 0.00 O ATOM 0 H GLU A 51 1.956 -3.237 -8.833 1.00 0.00 H new ATOM 0 HA GLU A 51 1.579 -3.019 -11.581 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.516 -3.449 -9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.822 -3.699 -11.085 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.462 -5.179 -9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.173 -5.709 -9.467 1.00 0.00 H new ATOM 453 N ASN A 52 0.151 -0.760 -9.649 1.00 0.00 N ATOM 454 CA ASN A 52 -0.711 0.382 -9.409 1.00 0.00 C ATOM 455 C ASN A 52 0.026 1.735 -9.408 1.00 0.00 C ATOM 456 O ASN A 52 -0.614 2.781 -9.299 1.00 0.00 O ATOM 457 CB ASN A 52 -1.420 0.047 -8.094 1.00 0.00 C ATOM 458 CG ASN A 52 -2.720 -0.694 -8.331 1.00 0.00 C ATOM 459 OD1 ASN A 52 -2.662 -1.994 -8.457 1.00 0.00 O flip ATOM 460 ND2 ASN A 52 -3.793 -0.120 -8.416 1.00 0.00 N flip ATOM 0 H ASN A 52 0.627 -1.062 -8.799 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.423 0.531 -10.220 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.763 -0.560 -7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.620 0.967 -7.544 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.838 0.894 -8.318 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.645 -0.654 -8.585 1.00 0.00 H new ATOM 467 N SER A 53 1.356 1.716 -9.559 1.00 0.00 N ATOM 468 CA SER A 53 2.236 2.897 -9.656 1.00 0.00 C ATOM 469 C SER A 53 2.274 3.703 -8.347 1.00 0.00 C ATOM 470 O SER A 53 2.473 4.920 -8.333 1.00 0.00 O ATOM 471 CB SER A 53 1.902 3.759 -10.883 1.00 0.00 C ATOM 472 OG SER A 53 1.998 2.992 -12.073 1.00 0.00 O ATOM 0 H SER A 53 1.875 0.840 -9.620 1.00 0.00 H new ATOM 0 HA SER A 53 3.251 2.530 -9.808 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.895 4.165 -10.786 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.584 4.608 -10.935 1.00 0.00 H new ATOM 0 HG SER A 53 1.780 3.556 -12.844 1.00 0.00 H new ATOM 478 N LEU A 54 2.086 2.994 -7.231 1.00 0.00 N ATOM 479 CA LEU A 54 2.143 3.504 -5.860 1.00 0.00 C ATOM 480 C LEU A 54 3.537 4.024 -5.495 1.00 0.00 C ATOM 481 O LEU A 54 3.645 4.977 -4.734 1.00 0.00 O ATOM 482 CB LEU A 54 1.747 2.345 -4.906 1.00 0.00 C ATOM 483 CG LEU A 54 0.460 2.415 -4.072 1.00 0.00 C ATOM 484 CD1 LEU A 54 0.746 2.706 -2.589 1.00 0.00 C ATOM 485 CD2 LEU A 54 -0.583 3.391 -4.603 1.00 0.00 C ATOM 0 H LEU A 54 1.879 1.996 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 54 1.457 4.346 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.688 1.440 -5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.573 2.209 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 54 0.028 1.418 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.194 2.746 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.374 1.916 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.261 3.662 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.459 3.376 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.163 4.397 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.874 3.099 -5.612 1.00 0.00 H new ATOM 497 N GLU A 55 4.596 3.424 -6.050 1.00 0.00 N ATOM 498 CA GLU A 55 6.009 3.613 -5.741 1.00 0.00 C ATOM 499 C GLU A 55 6.404 3.420 -4.269 1.00 0.00 C ATOM 500 O GLU A 55 7.003 2.415 -3.887 1.00 0.00 O ATOM 501 CB GLU A 55 6.430 4.950 -6.362 1.00 0.00 C ATOM 502 CG GLU A 55 7.930 5.065 -6.565 1.00 0.00 C ATOM 503 CD GLU A 55 8.432 4.259 -7.783 1.00 0.00 C ATOM 504 OE1 GLU A 55 8.432 4.792 -8.920 1.00 0.00 O ATOM 505 OE2 GLU A 55 8.827 3.080 -7.601 1.00 0.00 O ATOM 0 H GLU A 55 4.470 2.734 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 55 6.583 2.802 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.929 5.072 -7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.092 5.764 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.195 6.114 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.441 4.716 -5.668 1.00 0.00 H new ATOM 512 N THR A 56 5.968 4.362 -3.458 1.00 0.00 N ATOM 513 CA THR A 56 6.181 4.531 -2.016 1.00 0.00 C ATOM 514 C THR A 56 7.653 4.382 -1.563 1.00 0.00 C ATOM 515 O THR A 56 8.578 4.389 -2.379 1.00 0.00 O ATOM 516 CB THR A 56 5.248 3.619 -1.196 1.00 0.00 C ATOM 517 OG1 THR A 56 5.746 2.298 -1.159 1.00 0.00 O ATOM 518 CG2 THR A 56 3.817 3.556 -1.706 1.00 0.00 C ATOM 0 H THR A 56 5.390 5.118 -3.825 1.00 0.00 H new ATOM 0 HA THR A 56 5.921 5.570 -1.812 1.00 0.00 H new ATOM 0 HB THR A 56 5.228 4.072 -0.205 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.233 2.109 -1.988 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.233 2.892 -1.069 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.380 4.554 -1.687 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.811 3.177 -2.728 1.00 0.00 H new ATOM 526 N THR A 57 7.889 4.277 -0.245 1.00 0.00 N ATOM 527 CA THR A 57 9.199 3.943 0.331 1.00 0.00 C ATOM 528 C THR A 57 9.168 2.523 0.874 1.00 0.00 C ATOM 529 O THR A 57 10.031 1.706 0.547 1.00 0.00 O ATOM 530 CB THR A 57 9.548 4.853 1.528 1.00 0.00 C ATOM 531 OG1 THR A 57 9.331 6.218 1.242 1.00 0.00 O ATOM 532 CG2 THR A 57 11.001 4.722 1.969 1.00 0.00 C ATOM 0 H THR A 57 7.165 4.424 0.458 1.00 0.00 H new ATOM 0 HA THR A 57 9.935 4.069 -0.463 1.00 0.00 H new ATOM 0 HB THR A 57 8.885 4.516 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.939 6.307 0.348 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.186 5.386 2.814 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.200 3.692 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.658 4.994 1.143 1.00 0.00 H new ATOM 540 N PHE A 58 8.178 2.241 1.731 1.00 0.00 N ATOM 541 CA PHE A 58 8.135 1.038 2.545 1.00 0.00 C ATOM 542 C PHE A 58 6.759 0.777 3.158 1.00 0.00 C ATOM 543 O PHE A 58 5.919 1.677 3.232 1.00 0.00 O ATOM 544 CB PHE A 58 9.197 1.196 3.649 1.00 0.00 C ATOM 545 CG PHE A 58 8.839 1.791 5.012 1.00 0.00 C ATOM 546 CD1 PHE A 58 8.810 3.186 5.203 1.00 0.00 C ATOM 547 CD2 PHE A 58 8.720 0.939 6.126 1.00 0.00 C ATOM 548 CE1 PHE A 58 8.746 3.720 6.503 1.00 0.00 C ATOM 549 CE2 PHE A 58 8.631 1.473 7.428 1.00 0.00 C ATOM 550 CZ PHE A 58 8.679 2.865 7.615 1.00 0.00 C ATOM 0 H PHE A 58 7.377 2.856 1.874 1.00 0.00 H new ATOM 0 HA PHE A 58 8.340 0.175 1.912 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.615 0.206 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.998 1.808 3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.837 3.847 4.350 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.697 -0.131 5.983 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.748 4.790 6.646 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.526 0.815 8.278 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.664 3.277 8.613 1.00 0.00 H new ATOM 560 N SER A 59 6.572 -0.440 3.666 1.00 0.00 N ATOM 561 CA SER A 59 5.433 -0.836 4.493 1.00 0.00 C ATOM 562 C SER A 59 5.902 -1.664 5.695 1.00 0.00 C ATOM 563 O SER A 59 6.981 -2.267 5.688 1.00 0.00 O ATOM 564 CB SER A 59 4.425 -1.649 3.685 1.00 0.00 C ATOM 565 OG SER A 59 3.332 -2.089 4.462 1.00 0.00 O ATOM 0 H SER A 59 7.231 -1.203 3.508 1.00 0.00 H new ATOM 0 HA SER A 59 4.951 0.075 4.846 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.056 -1.043 2.857 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.927 -2.513 3.249 1.00 0.00 H new ATOM 0 HG SER A 59 2.716 -2.602 3.899 1.00 0.00 H new ATOM 571 N SER A 60 5.046 -1.727 6.707 1.00 0.00 N ATOM 572 CA SER A 60 5.144 -2.613 7.857 1.00 0.00 C ATOM 573 C SER A 60 4.020 -3.642 7.759 1.00 0.00 C ATOM 574 O SER A 60 2.841 -3.287 7.844 1.00 0.00 O ATOM 575 CB SER A 60 5.004 -1.791 9.138 1.00 0.00 C ATOM 576 OG SER A 60 6.158 -0.979 9.335 1.00 0.00 O ATOM 0 H SER A 60 4.221 -1.129 6.748 1.00 0.00 H new ATOM 0 HA SER A 60 6.108 -3.122 7.875 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.115 -1.163 9.079 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.869 -2.456 9.991 1.00 0.00 H new ATOM 0 HG SER A 60 6.054 -0.457 10.158 1.00 0.00 H new ATOM 582 N VAL A 61 4.387 -4.905 7.532 1.00 0.00 N ATOM 583 CA VAL A 61 3.463 -6.024 7.266 1.00 0.00 C ATOM 584 C VAL A 61 3.840 -7.242 8.120 1.00 0.00 C ATOM 585 O VAL A 61 4.994 -7.370 8.526 1.00 0.00 O ATOM 586 CB VAL A 61 3.451 -6.394 5.758 1.00 0.00 C ATOM 587 CG1 VAL A 61 2.161 -7.108 5.349 1.00 0.00 C ATOM 588 CG2 VAL A 61 3.547 -5.181 4.832 1.00 0.00 C ATOM 0 H VAL A 61 5.366 -5.193 7.527 1.00 0.00 H new ATOM 0 HA VAL A 61 2.457 -5.706 7.539 1.00 0.00 H new ATOM 0 HB VAL A 61 4.326 -7.034 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.199 -7.347 4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.056 -8.028 5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.308 -6.459 5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.533 -5.514 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.701 -4.518 5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.476 -4.645 5.029 1.00 0.00 H new ATOM 598 N ASN A 62 2.881 -8.145 8.351 1.00 0.00 N ATOM 599 CA ASN A 62 3.034 -9.481 8.959 1.00 0.00 C ATOM 600 C ASN A 62 3.109 -9.481 10.508 1.00 0.00 C ATOM 601 O ASN A 62 3.512 -10.485 11.099 1.00 0.00 O ATOM 602 CB ASN A 62 4.228 -10.248 8.341 1.00 0.00 C ATOM 603 CG ASN A 62 4.247 -10.324 6.829 1.00 0.00 C ATOM 604 OD1 ASN A 62 3.442 -10.997 6.205 1.00 0.00 O ATOM 605 ND2 ASN A 62 5.192 -9.675 6.185 1.00 0.00 N ATOM 0 H ASN A 62 1.910 -7.954 8.103 1.00 0.00 H new ATOM 0 HA ASN A 62 2.111 -10.009 8.717 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.152 -9.775 8.674 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.229 -11.263 8.738 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.250 -9.735 5.168 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.867 -9.111 6.702 1.00 0.00 H new ATOM 612 N THR A 63 2.751 -8.377 11.175 1.00 0.00 N ATOM 613 CA THR A 63 2.789 -8.206 12.647 1.00 0.00 C ATOM 614 C THR A 63 2.126 -9.376 13.398 1.00 0.00 C ATOM 615 O THR A 63 2.708 -9.920 14.337 1.00 0.00 O ATOM 616 CB THR A 63 2.127 -6.868 13.025 1.00 0.00 C ATOM 617 OG1 THR A 63 2.634 -5.826 12.216 1.00 0.00 O ATOM 618 CG2 THR A 63 2.389 -6.469 14.477 1.00 0.00 C ATOM 0 H THR A 63 2.413 -7.543 10.694 1.00 0.00 H new ATOM 0 HA THR A 63 3.835 -8.199 12.954 1.00 0.00 H new ATOM 0 HB THR A 63 1.057 -7.012 12.878 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.205 -4.981 12.464 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.899 -5.518 14.687 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.993 -7.236 15.142 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.462 -6.367 14.638 1.00 0.00 H new ATOM 626 N ARG A 64 0.933 -9.778 12.935 1.00 0.00 N ATOM 627 CA ARG A 64 0.148 -11.003 13.238 1.00 0.00 C ATOM 628 C ARG A 64 -1.150 -10.927 12.444 1.00 0.00 C ATOM 629 O ARG A 64 -1.453 -11.837 11.670 1.00 0.00 O ATOM 630 CB ARG A 64 -0.182 -11.227 14.740 1.00 0.00 C ATOM 631 CG ARG A 64 -0.199 -12.719 15.141 1.00 0.00 C ATOM 632 CD ARG A 64 -1.012 -13.706 14.279 1.00 0.00 C ATOM 633 NE ARG A 64 -2.480 -13.566 14.419 1.00 0.00 N ATOM 634 CZ ARG A 64 -3.396 -13.867 13.507 1.00 0.00 C ATOM 635 NH1 ARG A 64 -3.112 -14.050 12.251 1.00 0.00 N ATOM 636 NH2 ARG A 64 -4.651 -13.994 13.826 1.00 0.00 N ATOM 0 H ARG A 64 0.432 -9.194 12.265 1.00 0.00 H new ATOM 0 HA ARG A 64 0.771 -11.852 12.957 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.553 -10.701 15.350 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.154 -10.786 14.962 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.833 -13.068 15.160 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.576 -12.783 16.162 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.743 -13.564 13.232 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.728 -14.724 14.546 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.822 -13.201 15.308 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.148 -13.964 11.928 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.853 -14.280 11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.947 -13.862 14.793 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.339 -14.226 13.109 1.00 0.00 H new ATOM 650 N ASP A 65 -1.830 -9.781 12.568 1.00 0.00 N ATOM 651 CA ASP A 65 -2.982 -9.356 11.753 1.00 0.00 C ATOM 652 C ASP A 65 -4.190 -10.297 11.857 1.00 0.00 C ATOM 653 O ASP A 65 -4.270 -11.114 12.780 1.00 0.00 O ATOM 654 CB ASP A 65 -2.497 -9.200 10.312 1.00 0.00 C ATOM 655 CG ASP A 65 -1.310 -8.216 10.232 1.00 0.00 C ATOM 656 OD1 ASP A 65 -1.558 -6.998 10.269 1.00 0.00 O ATOM 657 OD2 ASP A 65 -0.156 -8.679 10.121 1.00 0.00 O ATOM 0 H ASP A 65 -1.582 -9.088 13.274 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.353 -8.405 12.136 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.196 -10.171 9.918 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.314 -8.841 9.686 1.00 0.00 H new ATOM 662 N PHE A 66 -5.169 -10.176 10.956 1.00 0.00 N ATOM 663 CA PHE A 66 -6.200 -11.211 10.791 1.00 0.00 C ATOM 664 C PHE A 66 -5.529 -12.497 10.255 1.00 0.00 C ATOM 665 O PHE A 66 -5.711 -13.597 10.784 1.00 0.00 O ATOM 666 CB PHE A 66 -7.328 -10.686 9.873 1.00 0.00 C ATOM 667 CG PHE A 66 -7.092 -10.744 8.370 1.00 0.00 C ATOM 668 CD1 PHE A 66 -7.358 -11.925 7.651 1.00 0.00 C ATOM 669 CD2 PHE A 66 -6.613 -9.613 7.687 1.00 0.00 C ATOM 670 CE1 PHE A 66 -7.131 -11.977 6.263 1.00 0.00 C ATOM 671 CE2 PHE A 66 -6.392 -9.663 6.293 1.00 0.00 C ATOM 672 CZ PHE A 66 -6.657 -10.842 5.577 1.00 0.00 C ATOM 0 H PHE A 66 -5.271 -9.376 10.331 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.667 -11.455 11.745 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.233 -11.252 10.094 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.527 -9.649 10.143 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.738 -12.795 8.167 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.413 -8.701 8.231 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.321 -12.892 5.721 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.018 -8.792 5.776 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.499 -10.878 4.509 1.00 0.00 H new ATOM 682 N ASP A 67 -4.643 -12.307 9.276 1.00 0.00 N ATOM 683 CA ASP A 67 -3.722 -13.274 8.664 1.00 0.00 C ATOM 684 C ASP A 67 -2.562 -12.513 7.988 1.00 0.00 C ATOM 685 O ASP A 67 -1.413 -12.952 8.026 1.00 0.00 O ATOM 686 CB ASP A 67 -4.468 -14.127 7.621 1.00 0.00 C ATOM 687 CG ASP A 67 -3.611 -15.309 7.138 1.00 0.00 C ATOM 688 OD1 ASP A 67 -3.252 -16.178 7.971 1.00 0.00 O ATOM 689 OD2 ASP A 67 -3.318 -15.391 5.922 1.00 0.00 O ATOM 0 H ASP A 67 -4.540 -11.386 8.849 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.325 -13.934 9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.396 -14.502 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.742 -13.504 6.770 1.00 0.00 H new ATOM 694 N GLY A 68 -2.860 -11.328 7.434 1.00 0.00 N ATOM 695 CA GLY A 68 -1.883 -10.349 6.957 1.00 0.00 C ATOM 696 C GLY A 68 -2.530 -9.035 6.505 1.00 0.00 C ATOM 697 O GLY A 68 -3.363 -9.030 5.606 1.00 0.00 O ATOM 0 H GLY A 68 -3.823 -11.018 7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.166 -10.141 7.751 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.322 -10.777 6.126 1.00 0.00 H new ATOM 701 N THR A 69 -2.140 -7.925 7.134 1.00 0.00 N ATOM 702 CA THR A 69 -2.432 -6.538 6.715 1.00 0.00 C ATOM 703 C THR A 69 -1.107 -5.784 6.666 1.00 0.00 C ATOM 704 O THR A 69 -0.182 -6.114 7.418 1.00 0.00 O ATOM 705 CB THR A 69 -3.423 -5.765 7.613 1.00 0.00 C ATOM 706 OG1 THR A 69 -2.830 -5.149 8.738 1.00 0.00 O ATOM 707 CG2 THR A 69 -4.592 -6.594 8.129 1.00 0.00 C ATOM 0 H THR A 69 -1.586 -7.962 7.990 1.00 0.00 H new ATOM 0 HA THR A 69 -2.926 -6.604 5.746 1.00 0.00 H new ATOM 0 HB THR A 69 -3.789 -5.006 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.474 -5.837 9.338 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.235 -5.970 8.750 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.165 -6.979 7.286 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.214 -7.427 8.721 1.00 0.00 H new ATOM 715 N GLY A 70 -0.999 -4.774 5.808 1.00 0.00 N ATOM 716 CA GLY A 70 0.219 -3.968 5.681 1.00 0.00 C ATOM 717 C GLY A 70 -0.061 -2.487 5.799 1.00 0.00 C ATOM 718 O GLY A 70 -1.172 -2.043 5.526 1.00 0.00 O ATOM 0 H GLY A 70 -1.750 -4.488 5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.930 -4.264 6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.689 -4.172 4.719 1.00 0.00 H new ATOM 722 N ALA A 71 0.948 -1.720 6.192 1.00 0.00 N ATOM 723 CA ALA A 71 0.799 -0.296 6.423 1.00 0.00 C ATOM 724 C ALA A 71 1.961 0.498 5.805 1.00 0.00 C ATOM 725 O ALA A 71 3.086 0.441 6.306 1.00 0.00 O ATOM 726 CB ALA A 71 0.603 -0.088 7.929 1.00 0.00 C ATOM 0 H ALA A 71 1.891 -2.071 6.358 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.081 0.101 5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.487 0.976 8.137 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.289 -0.621 8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.471 -0.471 8.465 1.00 0.00 H new ATOM 732 N LEU A 72 1.677 1.215 4.716 1.00 0.00 N ATOM 733 CA LEU A 72 2.646 1.882 3.839 1.00 0.00 C ATOM 734 C LEU A 72 2.919 3.317 4.303 1.00 0.00 C ATOM 735 O LEU A 72 2.017 4.013 4.768 1.00 0.00 O ATOM 736 CB LEU A 72 2.081 2.018 2.422 1.00 0.00 C ATOM 737 CG LEU A 72 2.130 0.848 1.440 1.00 0.00 C ATOM 738 CD1 LEU A 72 3.543 0.677 0.898 1.00 0.00 C ATOM 739 CD2 LEU A 72 1.492 -0.441 1.948 1.00 0.00 C ATOM 0 H LEU A 72 0.716 1.354 4.404 1.00 0.00 H new ATOM 0 HA LEU A 72 3.551 1.275 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.035 2.308 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.599 2.853 1.950 1.00 0.00 H new ATOM 0 HG LEU A 72 1.484 1.108 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.566 -0.159 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.848 1.588 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.228 0.480 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.575 -1.214 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.005 -0.769 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.440 -0.263 2.171 1.00 0.00 H new ATOM 751 N GLU A 73 4.125 3.794 4.026 1.00 0.00 N ATOM 752 CA GLU A 73 4.611 5.144 4.401 1.00 0.00 C ATOM 753 C GLU A 73 5.351 5.862 3.245 1.00 0.00 C ATOM 754 O GLU A 73 6.036 5.217 2.442 1.00 0.00 O ATOM 755 CB GLU A 73 5.483 5.008 5.672 1.00 0.00 C ATOM 756 CG GLU A 73 6.122 6.305 6.215 1.00 0.00 C ATOM 757 CD GLU A 73 6.343 6.319 7.749 1.00 0.00 C ATOM 758 OE1 GLU A 73 5.541 5.755 8.540 1.00 0.00 O ATOM 759 OE2 GLU A 73 7.330 6.939 8.220 1.00 0.00 O ATOM 0 H GLU A 73 4.823 3.248 3.520 1.00 0.00 H new ATOM 0 HA GLU A 73 3.756 5.785 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.869 4.574 6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.282 4.297 5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.082 6.457 5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.487 7.149 5.944 1.00 0.00 H new ATOM 766 N PHE A 74 5.236 7.201 3.174 1.00 0.00 N ATOM 767 CA PHE A 74 5.972 8.050 2.218 1.00 0.00 C ATOM 768 C PHE A 74 6.228 9.495 2.723 1.00 0.00 C ATOM 769 O PHE A 74 5.416 10.019 3.489 1.00 0.00 O ATOM 770 CB PHE A 74 5.168 8.202 0.908 1.00 0.00 C ATOM 771 CG PHE A 74 6.034 8.399 -0.317 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.041 7.478 -0.629 1.00 0.00 C ATOM 773 CD2 PHE A 74 5.951 9.588 -1.064 1.00 0.00 C ATOM 774 CE1 PHE A 74 7.970 7.743 -1.654 1.00 0.00 C ATOM 775 CE2 PHE A 74 6.887 9.878 -2.072 1.00 0.00 C ATOM 776 CZ PHE A 74 7.898 8.950 -2.370 1.00 0.00 C ATOM 0 H PHE A 74 4.619 7.732 3.789 1.00 0.00 H new ATOM 0 HA PHE A 74 6.927 7.543 2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.550 7.315 0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.491 9.051 1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.106 6.552 -0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.155 10.289 -0.860 1.00 0.00 H new ATOM 0 HE1 PHE A 74 8.737 7.020 -1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.829 10.810 -2.615 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.618 9.163 -3.147 1.00 0.00 H new ATOM 786 N PRO A 75 7.261 10.203 2.205 1.00 0.00 N ATOM 787 CA PRO A 75 7.466 11.641 2.424 1.00 0.00 C ATOM 788 C PRO A 75 6.466 12.614 1.746 1.00 0.00 C ATOM 789 O PRO A 75 6.559 13.813 2.014 1.00 0.00 O ATOM 790 CB PRO A 75 8.910 11.934 1.986 1.00 0.00 C ATOM 791 CG PRO A 75 9.230 10.809 1.009 1.00 0.00 C ATOM 792 CD PRO A 75 8.479 9.640 1.634 1.00 0.00 C ATOM 0 HA PRO A 75 7.278 11.836 3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.993 12.912 1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.593 11.933 2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.880 11.029 0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.301 10.618 0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.245 8.882 0.886 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.082 9.155 2.402 1.00 0.00 H new ATOM 800 N SER A 76 5.509 12.156 0.928 1.00 0.00 N ATOM 801 CA SER A 76 4.496 13.005 0.267 1.00 0.00 C ATOM 802 C SER A 76 3.109 12.407 0.315 1.00 0.00 C ATOM 803 O SER A 76 2.845 11.383 -0.311 1.00 0.00 O ATOM 804 CB SER A 76 4.795 13.182 -1.210 1.00 0.00 C ATOM 805 OG SER A 76 5.924 13.992 -1.477 1.00 0.00 O ATOM 0 H SER A 76 5.411 11.167 0.700 1.00 0.00 H new ATOM 0 HA SER A 76 4.535 13.948 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.951 12.201 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.923 13.620 -1.696 1.00 0.00 H new ATOM 0 HG SER A 76 5.658 14.748 -2.041 1.00 0.00 H new ATOM 811 N GLU A 77 2.189 13.106 0.972 1.00 0.00 N ATOM 812 CA GLU A 77 0.758 12.789 0.948 1.00 0.00 C ATOM 813 C GLU A 77 0.128 12.705 -0.452 1.00 0.00 C ATOM 814 O GLU A 77 -0.961 12.160 -0.608 1.00 0.00 O ATOM 815 CB GLU A 77 -0.028 13.748 1.837 1.00 0.00 C ATOM 816 CG GLU A 77 0.118 15.218 1.425 1.00 0.00 C ATOM 817 CD GLU A 77 -0.297 16.135 2.594 1.00 0.00 C ATOM 818 OE1 GLU A 77 -1.494 16.147 2.971 1.00 0.00 O ATOM 819 OE2 GLU A 77 0.575 16.781 3.215 1.00 0.00 O ATOM 0 H GLU A 77 2.415 13.919 1.544 1.00 0.00 H new ATOM 0 HA GLU A 77 0.692 11.777 1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.083 13.474 1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.306 13.632 2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.149 15.424 1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.502 15.423 0.552 1.00 0.00 H new ATOM 826 N GLU A 78 0.810 13.189 -1.488 1.00 0.00 N ATOM 827 CA GLU A 78 0.448 12.920 -2.873 1.00 0.00 C ATOM 828 C GLU A 78 0.249 11.405 -3.108 1.00 0.00 C ATOM 829 O GLU A 78 -0.790 10.979 -3.613 1.00 0.00 O ATOM 830 CB GLU A 78 1.528 13.517 -3.803 1.00 0.00 C ATOM 831 CG GLU A 78 1.667 15.049 -3.671 1.00 0.00 C ATOM 832 CD GLU A 78 2.775 15.510 -2.712 1.00 0.00 C ATOM 833 OE1 GLU A 78 2.506 15.569 -1.474 1.00 0.00 O ATOM 834 OE2 GLU A 78 3.900 15.804 -3.153 1.00 0.00 O ATOM 0 H GLU A 78 1.634 13.782 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.505 13.396 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.488 13.051 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.286 13.269 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.860 15.470 -4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.716 15.459 -3.331 1.00 0.00 H new ATOM 841 N ILE A 79 1.191 10.586 -2.615 1.00 0.00 N ATOM 842 CA ILE A 79 1.187 9.116 -2.724 1.00 0.00 C ATOM 843 C ILE A 79 0.139 8.462 -1.797 1.00 0.00 C ATOM 844 O ILE A 79 -0.486 7.461 -2.170 1.00 0.00 O ATOM 845 CB ILE A 79 2.615 8.570 -2.462 1.00 0.00 C ATOM 846 CG1 ILE A 79 3.620 9.283 -3.411 1.00 0.00 C ATOM 847 CG2 ILE A 79 2.659 7.042 -2.607 1.00 0.00 C ATOM 848 CD1 ILE A 79 4.765 8.453 -4.014 1.00 0.00 C ATOM 0 H ILE A 79 2.005 10.940 -2.112 1.00 0.00 H new ATOM 0 HA ILE A 79 0.892 8.849 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 79 2.904 8.787 -1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.051 9.714 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.064 10.113 -2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.672 6.688 -2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.976 6.589 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.360 6.764 -3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.379 9.089 -4.652 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.379 8.043 -3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.350 7.637 -4.606 1.00 0.00 H new ATOM 860 N LEU A 80 -0.121 9.069 -0.640 1.00 0.00 N ATOM 861 CA LEU A 80 -1.201 8.667 0.263 1.00 0.00 C ATOM 862 C LEU A 80 -2.553 8.741 -0.449 1.00 0.00 C ATOM 863 O LEU A 80 -3.289 7.759 -0.513 1.00 0.00 O ATOM 864 CB LEU A 80 -1.191 9.589 1.498 1.00 0.00 C ATOM 865 CG LEU A 80 -2.510 9.832 2.267 1.00 0.00 C ATOM 866 CD1 LEU A 80 -3.066 8.610 2.962 1.00 0.00 C ATOM 867 CD2 LEU A 80 -2.315 10.879 3.351 1.00 0.00 C ATOM 0 H LEU A 80 0.419 9.864 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.045 7.635 0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.469 9.182 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.813 10.560 1.179 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.211 10.148 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.991 8.873 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.268 7.833 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.340 8.242 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.255 11.035 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.555 10.538 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.994 11.817 2.898 1.00 0.00 H new ATOM 879 N VAL A 81 -2.869 9.922 -0.994 1.00 0.00 N ATOM 880 CA VAL A 81 -4.187 10.242 -1.565 1.00 0.00 C ATOM 881 C VAL A 81 -4.405 9.452 -2.832 1.00 0.00 C ATOM 882 O VAL A 81 -5.510 8.958 -3.053 1.00 0.00 O ATOM 883 CB VAL A 81 -4.313 11.750 -1.859 1.00 0.00 C ATOM 884 CG1 VAL A 81 -5.600 12.127 -2.606 1.00 0.00 C ATOM 885 CG2 VAL A 81 -4.311 12.547 -0.556 1.00 0.00 C ATOM 0 H VAL A 81 -2.207 10.696 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.949 9.972 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.457 11.989 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.619 13.203 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.631 11.606 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.465 11.840 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.401 13.610 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.152 12.234 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.379 12.366 -0.020 1.00 0.00 H new ATOM 895 N GLU A 82 -3.330 9.274 -3.589 1.00 0.00 N ATOM 896 CA GLU A 82 -3.270 8.329 -4.668 1.00 0.00 C ATOM 897 C GLU A 82 -3.780 6.967 -4.157 1.00 0.00 C ATOM 898 O GLU A 82 -4.911 6.610 -4.456 1.00 0.00 O ATOM 899 CB GLU A 82 -1.800 8.280 -5.067 1.00 0.00 C ATOM 900 CG GLU A 82 -1.372 9.116 -6.270 1.00 0.00 C ATOM 901 CD GLU A 82 -2.030 8.748 -7.610 1.00 0.00 C ATOM 902 OE1 GLU A 82 -2.086 7.550 -7.966 1.00 0.00 O ATOM 903 OE2 GLU A 82 -2.486 9.658 -8.343 1.00 0.00 O ATOM 0 H GLU A 82 -2.465 9.798 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.888 8.598 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.207 8.596 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.540 7.241 -5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.588 10.163 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.291 9.030 -6.382 1.00 0.00 H new ATOM 910 N ALA A 83 -3.038 6.248 -3.309 1.00 0.00 N ATOM 911 CA ALA A 83 -3.432 4.917 -2.805 1.00 0.00 C ATOM 912 C ALA A 83 -4.856 4.841 -2.219 1.00 0.00 C ATOM 913 O ALA A 83 -5.584 3.894 -2.505 1.00 0.00 O ATOM 914 CB ALA A 83 -2.395 4.496 -1.765 1.00 0.00 C ATOM 0 H ALA A 83 -2.140 6.570 -2.947 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.458 4.236 -3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.654 3.514 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.410 4.451 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.379 5.222 -0.952 1.00 0.00 H new ATOM 920 N LEU A 84 -5.296 5.856 -1.473 1.00 0.00 N ATOM 921 CA LEU A 84 -6.657 5.946 -0.916 1.00 0.00 C ATOM 922 C LEU A 84 -7.723 6.051 -2.004 1.00 0.00 C ATOM 923 O LEU A 84 -8.858 5.624 -1.796 1.00 0.00 O ATOM 924 CB LEU A 84 -6.820 7.180 -0.001 1.00 0.00 C ATOM 925 CG LEU A 84 -6.003 7.292 1.282 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.814 8.036 2.338 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.598 5.942 1.828 1.00 0.00 C ATOM 0 H LEU A 84 -4.710 6.655 -1.232 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.794 5.026 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.600 8.061 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.872 7.240 0.278 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.091 7.838 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.230 8.116 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.057 9.034 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.735 7.490 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.019 6.078 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.490 5.356 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.992 5.417 1.089 1.00 0.00 H new ATOM 939 N GLU A 85 -7.363 6.591 -3.163 1.00 0.00 N ATOM 940 CA GLU A 85 -8.229 6.650 -4.331 1.00 0.00 C ATOM 941 C GLU A 85 -7.879 5.613 -5.426 1.00 0.00 C ATOM 942 O GLU A 85 -8.587 5.540 -6.433 1.00 0.00 O ATOM 943 CB GLU A 85 -8.205 8.077 -4.910 1.00 0.00 C ATOM 944 CG GLU A 85 -8.784 9.127 -3.948 1.00 0.00 C ATOM 945 CD GLU A 85 -8.876 10.545 -4.554 1.00 0.00 C ATOM 946 OE1 GLU A 85 -8.198 10.857 -5.568 1.00 0.00 O ATOM 947 OE2 GLU A 85 -9.654 11.374 -4.019 1.00 0.00 O ATOM 0 H GLU A 85 -6.445 7.007 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.233 6.391 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.178 8.346 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.771 8.095 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.779 8.810 -3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.165 9.165 -3.051 1.00 0.00 H new ATOM 954 N ARG A 86 -6.815 4.802 -5.267 1.00 0.00 N ATOM 955 CA ARG A 86 -6.255 3.911 -6.295 1.00 0.00 C ATOM 956 C ARG A 86 -6.346 2.447 -5.892 1.00 0.00 C ATOM 957 O ARG A 86 -6.435 1.601 -6.770 1.00 0.00 O ATOM 958 CB ARG A 86 -4.785 4.304 -6.572 1.00 0.00 C ATOM 959 CG ARG A 86 -4.555 5.136 -7.837 1.00 0.00 C ATOM 960 CD ARG A 86 -5.264 6.490 -7.677 1.00 0.00 C ATOM 961 NE ARG A 86 -4.877 7.512 -8.659 1.00 0.00 N ATOM 962 CZ ARG A 86 -5.604 8.573 -8.964 1.00 0.00 C ATOM 963 NH1 ARG A 86 -6.897 8.617 -8.782 1.00 0.00 N ATOM 964 NH2 ARG A 86 -5.024 9.641 -9.413 1.00 0.00 N ATOM 0 H ARG A 86 -6.305 4.750 -4.385 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.845 4.030 -7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.409 4.864 -5.716 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.190 3.393 -6.643 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.488 5.286 -8.001 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.940 4.609 -8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.340 6.330 -7.746 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.062 6.873 -6.677 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.985 7.395 -9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.385 7.811 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.419 9.457 -9.032 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.011 9.660 -9.530 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.581 10.462 -9.650 1.00 0.00 H new ATOM 978 N LEU A 87 -6.342 2.159 -4.582 1.00 0.00 N ATOM 979 CA LEU A 87 -6.320 0.837 -3.986 1.00 0.00 C ATOM 980 C LEU A 87 -7.471 0.614 -2.985 1.00 0.00 C ATOM 981 O LEU A 87 -7.567 -0.464 -2.407 1.00 0.00 O ATOM 982 CB LEU A 87 -4.952 0.621 -3.315 1.00 0.00 C ATOM 983 CG LEU A 87 -3.802 0.275 -4.256 1.00 0.00 C ATOM 984 CD1 LEU A 87 -3.403 1.361 -5.218 1.00 0.00 C ATOM 985 CD2 LEU A 87 -2.570 -0.215 -3.500 1.00 0.00 C ATOM 0 H LEU A 87 -6.355 2.896 -3.877 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.469 0.102 -4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.689 1.526 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.050 -0.179 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.212 -0.532 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.578 1.012 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.252 1.616 -5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.089 2.243 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.777 -0.450 -4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.228 0.564 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.824 -1.110 -2.931 1.00 0.00 H new ATOM 997 N ASN A 88 -8.362 1.590 -2.771 1.00 0.00 N ATOM 998 CA ASN A 88 -9.460 1.400 -1.821 1.00 0.00 C ATOM 999 C ASN A 88 -10.620 0.583 -2.421 1.00 0.00 C ATOM 1000 O ASN A 88 -11.329 1.043 -3.317 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.926 2.726 -1.220 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.832 2.458 -0.026 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -10.653 1.501 0.702 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -11.851 3.252 0.170 1.00 0.00 N ATOM 0 H ASN A 88 -8.345 2.500 -3.232 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.067 0.804 -0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.065 3.318 -0.910 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.460 3.309 -1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -12.500 3.070 0.936 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.998 4.054 -0.443 1.00 0.00 H new ATOM 1011 N ASN A 89 -10.808 -0.626 -1.900 1.00 0.00 N ATOM 1012 CA ASN A 89 -11.760 -1.647 -2.343 1.00 0.00 C ATOM 1013 C ASN A 89 -11.608 -2.007 -3.840 1.00 0.00 C ATOM 1014 O ASN A 89 -12.585 -2.097 -4.581 1.00 0.00 O ATOM 1015 CB ASN A 89 -13.171 -1.310 -1.821 1.00 0.00 C ATOM 1016 CG ASN A 89 -13.961 -2.567 -1.507 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -14.877 -2.961 -2.215 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -13.630 -3.242 -0.428 1.00 0.00 N ATOM 0 H ASN A 89 -10.261 -0.943 -1.100 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.525 -2.607 -1.884 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -13.091 -0.695 -0.924 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.705 -0.720 -2.566 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.137 -4.093 -0.183 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.866 -2.915 0.164 1.00 0.00 H new ATOM 1025 N ILE A 90 -10.352 -2.201 -4.261 1.00 0.00 N ATOM 1026 CA ILE A 90 -9.971 -2.663 -5.616 1.00 0.00 C ATOM 1027 C ILE A 90 -9.752 -4.167 -5.585 1.00 0.00 C ATOM 1028 O ILE A 90 -9.330 -4.706 -4.567 1.00 0.00 O ATOM 1029 CB ILE A 90 -8.691 -1.963 -6.137 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -7.396 -2.346 -5.385 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -8.975 -0.459 -6.199 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -6.139 -2.123 -6.227 1.00 0.00 C ATOM 0 H ILE A 90 -9.546 -2.039 -3.658 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.782 -2.406 -6.297 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.468 -2.325 -7.141 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.325 -1.759 -4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.449 -3.393 -5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.090 0.064 -6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.810 -0.274 -6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.227 -0.095 -5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.259 -2.408 -5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.193 -2.731 -7.130 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.067 -1.071 -6.502 1.00 0.00 H new ATOM 1044 N GLU A 91 -9.957 -4.841 -6.713 1.00 0.00 N ATOM 1045 CA GLU A 91 -9.652 -6.266 -6.837 1.00 0.00 C ATOM 1046 C GLU A 91 -8.187 -6.487 -7.266 1.00 0.00 C ATOM 1047 O GLU A 91 -7.795 -6.354 -8.425 1.00 0.00 O ATOM 1048 CB GLU A 91 -10.676 -6.956 -7.736 1.00 0.00 C ATOM 1049 CG GLU A 91 -10.714 -8.476 -7.562 1.00 0.00 C ATOM 1050 CD GLU A 91 -11.572 -9.145 -8.654 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -12.821 -9.051 -8.597 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -11.002 -9.780 -9.573 1.00 0.00 O ATOM 0 H GLU A 91 -10.336 -4.420 -7.561 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.741 -6.740 -5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.665 -6.549 -7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.450 -6.723 -8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.700 -8.874 -7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.117 -8.721 -6.579 1.00 0.00 H new ATOM 1059 N PHE A 92 -7.376 -6.814 -6.266 1.00 0.00 N ATOM 1060 CA PHE A 92 -5.997 -7.283 -6.323 1.00 0.00 C ATOM 1061 C PHE A 92 -5.901 -8.646 -7.009 1.00 0.00 C ATOM 1062 O PHE A 92 -5.844 -9.665 -6.330 1.00 0.00 O ATOM 1063 CB PHE A 92 -5.519 -7.367 -4.860 1.00 0.00 C ATOM 1064 CG PHE A 92 -4.098 -7.807 -4.498 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -3.170 -8.276 -5.460 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -3.699 -7.728 -3.152 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -1.871 -8.647 -5.069 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -2.397 -8.091 -2.761 1.00 0.00 C ATOM 1069 CZ PHE A 92 -1.485 -8.545 -3.731 1.00 0.00 C ATOM 0 H PHE A 92 -7.700 -6.751 -5.301 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.375 -6.606 -6.908 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.663 -6.378 -4.424 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.200 -8.045 -4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.461 -8.349 -6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.402 -7.384 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.170 -9.012 -5.805 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.100 -8.022 -1.725 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.481 -8.816 -3.439 1.00 0.00 H new ATOM 1079 N ARG A 93 -5.872 -8.703 -8.345 1.00 0.00 N ATOM 1080 CA ARG A 93 -5.600 -9.934 -9.135 1.00 0.00 C ATOM 1081 C ARG A 93 -6.613 -11.091 -8.977 1.00 0.00 C ATOM 1082 O ARG A 93 -6.452 -12.135 -9.614 1.00 0.00 O ATOM 1083 CB ARG A 93 -4.181 -10.441 -8.792 1.00 0.00 C ATOM 1084 CG ARG A 93 -3.081 -9.498 -9.300 1.00 0.00 C ATOM 1085 CD ARG A 93 -1.714 -10.072 -8.921 1.00 0.00 C ATOM 1086 NE ARG A 93 -0.617 -9.275 -9.489 1.00 0.00 N ATOM 1087 CZ ARG A 93 0.656 -9.363 -9.169 1.00 0.00 C ATOM 1088 NH1 ARG A 93 1.118 -10.130 -8.232 1.00 0.00 N ATOM 1089 NH2 ARG A 93 1.527 -8.663 -9.819 1.00 0.00 N ATOM 0 H ARG A 93 -6.039 -7.884 -8.930 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.698 -9.630 -10.177 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.090 -10.552 -7.712 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.037 -11.430 -9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.154 -9.384 -10.382 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.206 -8.506 -8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.619 -10.101 -7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.639 -11.100 -9.275 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.867 -8.587 -10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.481 -10.714 -7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.119 -10.149 -8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.226 -8.048 -10.574 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.516 -8.726 -9.576 1.00 0.00 H new ATOM 1103 N GLY A 94 -7.630 -10.930 -8.140 1.00 0.00 N ATOM 1104 CA GLY A 94 -8.548 -11.979 -7.679 1.00 0.00 C ATOM 1105 C GLY A 94 -8.822 -11.908 -6.166 1.00 0.00 C ATOM 1106 O GLY A 94 -9.805 -12.483 -5.693 1.00 0.00 O ATOM 0 H GLY A 94 -7.854 -10.019 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.491 -11.893 -8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.129 -12.955 -7.922 1.00 0.00 H new ATOM 1110 N SER A 95 -7.986 -11.195 -5.397 1.00 0.00 N ATOM 1111 CA SER A 95 -8.186 -10.800 -4.030 1.00 0.00 C ATOM 1112 C SER A 95 -8.757 -9.380 -4.105 1.00 0.00 C ATOM 1113 O SER A 95 -8.847 -8.803 -5.187 1.00 0.00 O ATOM 1114 CB SER A 95 -6.792 -10.790 -3.389 1.00 0.00 C ATOM 1115 OG SER A 95 -6.226 -12.087 -3.237 1.00 0.00 O ATOM 0 H SER A 95 -7.092 -10.864 -5.759 1.00 0.00 H new ATOM 0 HA SER A 95 -8.850 -11.447 -3.457 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.125 -10.181 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.854 -10.313 -2.411 1.00 0.00 H new ATOM 0 HG SER A 95 -6.568 -12.499 -2.416 1.00 0.00 H new ATOM 1121 N VAL A 96 -9.107 -8.749 -3.004 1.00 0.00 N ATOM 1122 CA VAL A 96 -9.426 -7.304 -2.979 1.00 0.00 C ATOM 1123 C VAL A 96 -8.885 -6.732 -1.666 1.00 0.00 C ATOM 1124 O VAL A 96 -8.878 -7.435 -0.660 1.00 0.00 O ATOM 1125 CB VAL A 96 -10.924 -6.957 -3.244 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -11.859 -8.153 -3.265 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -11.538 -5.841 -2.381 1.00 0.00 C ATOM 0 H VAL A 96 -9.183 -9.205 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.933 -6.825 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.847 -6.556 -4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.878 -7.815 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.552 -8.841 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.820 -8.662 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.581 -5.696 -2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.481 -6.121 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.987 -4.914 -2.540 1.00 0.00 H new ATOM 1137 N ILE A 97 -8.467 -5.468 -1.670 1.00 0.00 N ATOM 1138 CA ILE A 97 -7.961 -4.721 -0.508 1.00 0.00 C ATOM 1139 C ILE A 97 -8.747 -3.424 -0.328 1.00 0.00 C ATOM 1140 O ILE A 97 -9.182 -2.816 -1.293 1.00 0.00 O ATOM 1141 CB ILE A 97 -6.456 -4.375 -0.617 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -6.061 -3.962 -2.054 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -5.580 -5.517 -0.087 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -4.622 -3.461 -2.202 1.00 0.00 C ATOM 0 H ILE A 97 -8.470 -4.905 -2.521 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.093 -5.376 0.353 1.00 0.00 H new ATOM 0 HB ILE A 97 -6.276 -3.508 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.204 -4.817 -2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.740 -3.180 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.529 -5.242 -0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.817 -5.702 0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.770 -6.420 -0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.435 -3.194 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.475 -2.585 -1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.930 -4.247 -1.899 1.00 0.00 H new ATOM 1156 N THR A 98 -8.855 -2.975 0.915 1.00 0.00 N ATOM 1157 CA THR A 98 -9.434 -1.697 1.353 1.00 0.00 C ATOM 1158 C THR A 98 -8.312 -0.957 2.062 1.00 0.00 C ATOM 1159 O THR A 98 -7.523 -1.572 2.789 1.00 0.00 O ATOM 1160 CB THR A 98 -10.554 -1.962 2.357 1.00 0.00 C ATOM 1161 OG1 THR A 98 -11.554 -2.775 1.771 1.00 0.00 O ATOM 1162 CG2 THR A 98 -11.257 -0.716 2.885 1.00 0.00 C ATOM 0 H THR A 98 -8.519 -3.527 1.704 1.00 0.00 H new ATOM 0 HA THR A 98 -9.839 -1.132 0.514 1.00 0.00 H new ATOM 0 HB THR A 98 -10.052 -2.444 3.196 1.00 0.00 H new ATOM 0 HG1 THR A 98 -12.266 -2.940 2.424 1.00 0.00 H new ATOM 0 HG21 THR A 98 -12.035 -1.008 3.590 1.00 0.00 H new ATOM 0 HG22 THR A 98 -10.533 -0.076 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.706 -0.172 2.054 1.00 0.00 H new ATOM 1170 N VAL A 99 -8.199 0.345 1.814 1.00 0.00 N ATOM 1171 CA VAL A 99 -7.038 1.126 2.247 1.00 0.00 C ATOM 1172 C VAL A 99 -7.434 2.508 2.740 1.00 0.00 C ATOM 1173 O VAL A 99 -8.369 3.141 2.244 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.941 1.207 1.169 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -5.643 -0.155 0.546 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -6.333 2.131 0.044 1.00 0.00 C ATOM 0 H VAL A 99 -8.902 0.887 1.312 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.609 0.587 3.091 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.058 1.584 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.863 -0.047 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.306 -0.844 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.547 -0.548 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.534 2.162 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.248 1.767 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.501 3.133 0.438 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.688 2.976 3.728 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.999 4.206 4.464 1.00 0.00 C ATOM 1188 C GLU A 100 -5.808 4.682 5.270 1.00 0.00 C ATOM 1189 O GLU A 100 -4.975 3.886 5.693 1.00 0.00 O ATOM 1190 CB GLU A 100 -8.154 3.941 5.451 1.00 0.00 C ATOM 1191 CG GLU A 100 -7.934 2.784 6.441 1.00 0.00 C ATOM 1192 CD GLU A 100 -8.966 1.664 6.257 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -8.898 0.921 5.256 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -9.814 1.457 7.164 1.00 0.00 O ATOM 0 H GLU A 100 -5.839 2.512 4.050 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.271 4.966 3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.337 4.852 6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.058 3.737 4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.931 2.378 6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.990 3.164 7.461 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.748 5.985 5.538 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.793 6.515 6.506 1.00 0.00 C ATOM 1203 C ARG A 101 -5.035 5.967 7.920 1.00 0.00 C ATOM 1204 O ARG A 101 -6.160 5.624 8.281 1.00 0.00 O ATOM 1205 CB ARG A 101 -4.793 8.033 6.477 1.00 0.00 C ATOM 1206 CG ARG A 101 -6.134 8.708 6.771 1.00 0.00 C ATOM 1207 CD ARG A 101 -5.912 10.075 7.429 1.00 0.00 C ATOM 1208 NE ARG A 101 -5.295 10.068 8.785 1.00 0.00 N ATOM 1209 CZ ARG A 101 -5.476 9.278 9.839 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -6.348 8.316 9.887 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -4.758 9.429 10.916 1.00 0.00 N ATOM 0 H ARG A 101 -6.345 6.688 5.102 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.800 6.173 6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.062 8.391 7.202 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.453 8.358 5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.697 8.830 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.731 8.074 7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.281 10.672 6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.875 10.582 7.495 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.606 10.806 8.932 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.946 8.129 9.082 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.434 7.747 10.729 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.048 10.160 10.957 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.907 8.816 11.718 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.976 5.947 8.714 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.965 5.405 10.075 1.00 0.00 C ATOM 1227 C ASP A 102 -3.265 6.350 11.074 1.00 0.00 C ATOM 1228 O ASP A 102 -3.903 6.826 12.020 1.00 0.00 O ATOM 1229 CB ASP A 102 -3.321 4.011 10.005 1.00 0.00 C ATOM 1230 CG ASP A 102 -3.786 3.109 11.176 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -3.363 3.343 12.326 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -4.583 2.177 10.934 1.00 0.00 O ATOM 0 H ASP A 102 -3.070 6.317 8.426 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.981 5.316 10.459 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -3.577 3.538 9.057 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -2.236 4.109 10.029 1.00 0.00 H new ATOM 1237 N ASP A 103 -2.008 6.730 10.813 1.00 0.00 N ATOM 1238 CA ASP A 103 -1.266 7.782 11.549 1.00 0.00 C ATOM 1239 C ASP A 103 -1.572 9.172 10.964 1.00 0.00 C ATOM 1240 O ASP A 103 -2.015 10.105 11.639 1.00 0.00 O ATOM 1241 CB ASP A 103 0.242 7.481 11.418 1.00 0.00 C ATOM 1242 CG ASP A 103 1.223 8.370 12.205 1.00 0.00 C ATOM 1243 OD1 ASP A 103 0.800 9.363 12.856 1.00 0.00 O ATOM 1244 OD2 ASP A 103 2.438 8.084 12.157 1.00 0.00 O ATOM 0 H ASP A 103 -1.457 6.308 10.066 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.569 7.783 12.596 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.405 6.448 11.726 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.506 7.544 10.362 1.00 0.00 H new ATOM 1249 N ASN A 104 -1.418 9.268 9.643 1.00 0.00 N ATOM 1250 CA ASN A 104 -1.673 10.411 8.767 1.00 0.00 C ATOM 1251 C ASN A 104 -1.960 9.885 7.353 1.00 0.00 C ATOM 1252 O ASN A 104 -2.573 10.651 6.588 1.00 0.00 O ATOM 1253 CB ASN A 104 -0.458 11.378 8.782 1.00 0.00 C ATOM 1254 CG ASN A 104 -0.760 12.727 9.414 1.00 0.00 C ATOM 1255 OD1 ASN A 104 -0.421 13.779 8.889 1.00 0.00 O ATOM 1256 ND2 ASN A 104 -1.408 12.732 10.554 1.00 0.00 N ATOM 0 H ASN A 104 -1.078 8.469 9.108 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.538 10.974 9.118 1.00 0.00 H new ATOM 0 HB2 ASN A 104 0.363 10.908 9.324 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -0.116 11.534 7.759 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.633 13.617 11.009 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -1.687 11.851 10.986 1.00 0.00 H new TER 1263 ASN A 104