USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 820 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 24 LYS NZ :NH3+ 165:sc= -0.134 (180deg=-0.727) USER MOD Set 1.2: A 25 TYR OH : rot 180:sc= 0.016 USER MOD Set 2.1: A 3 GLN : amide:sc= 0 X(o=0.0042,f=0.01) USER MOD Set 2.2: A 66 TYR OH : rot -97:sc= 0.0042 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.295 (180deg=0.167) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 93:sc= 0.808 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= -2.1! (180deg=-2.33!) USER MOD Single : A 14 HIS : no HD1:sc= -0.309 K(o=-0.31,f=-1.2) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -169:sc= -0.667 USER MOD Single : A 22 HIS : no HE2:sc= -1.97! C(o=-2!,f=-3.9!) USER MOD Single : A 27 LYS NZ :NH3+ 168:sc=-0.00375 (180deg=-0.219) USER MOD Single : A 30 ASN : amide:sc= -1.04 X(o=-1,f=-0.74) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.175 (180deg=-1.6) USER MOD Single : A 36 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 37 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -7.12! C(o=-8.4!,f=-7.1!) USER MOD Single : A 50 ASN : amide:sc= -1.42 K(o=-1.4,f=-4!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.63! C(o=-2.6!,f=-9.7!) USER MOD Single : A 55 ASN : amide:sc= -0.0258 K(o=-0.026,f=-2.6!) USER MOD Single : A 56 SER OG : rot 75:sc= 0.983 USER MOD Single : A 60 HIS : no HE2:sc= -9.03! C(o=-9!,f=-16!) USER MOD Single : A 64 SER OG : rot -91:sc= 0.143 USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0127) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 73 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.3) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.428 F(o=-1.2!,f=-0.43) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.65) USER MOD Single : A 86 LYS NZ :NH3+ 155:sc= -0.0874 (180deg=-0.474) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 91 SER OG : rot 180:sc= 0.065! USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00959 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN :FLIP amide:sc= -0.226 F(o=-2.8!,f=-0.23) USER MOD Single : A 99 SER OG : rot -34:sc= 0.246 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.663 14.333 -9.383 1.00 0.00 N ATOM 2 CA MET A 1 -10.319 14.512 -7.943 1.00 0.00 C ATOM 3 C MET A 1 -10.698 13.250 -7.173 1.00 0.00 C ATOM 4 O MET A 1 -10.421 13.133 -5.980 1.00 0.00 O ATOM 5 CB MET A 1 -11.080 15.720 -7.385 1.00 0.00 C ATOM 6 CG MET A 1 -12.434 15.847 -8.087 1.00 0.00 C ATOM 7 SD MET A 1 -13.338 14.285 -7.947 1.00 0.00 S ATOM 8 CE MET A 1 -14.194 14.656 -6.396 1.00 0.00 C ATOM 0 H1 MET A 1 -10.501 15.225 -9.892 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.065 13.587 -9.793 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.663 14.062 -9.470 1.00 0.00 H new ATOM 0 HA MET A 1 -9.248 14.686 -7.836 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.226 15.605 -6.311 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.497 16.629 -7.532 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.013 16.655 -7.640 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.288 16.102 -9.137 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.822 13.810 -6.116 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.461 14.840 -5.611 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.816 15.542 -6.526 1.00 0.00 H new ATOM 18 N GLU A 2 -11.332 12.310 -7.865 1.00 0.00 N ATOM 19 CA GLU A 2 -11.745 11.058 -7.238 1.00 0.00 C ATOM 20 C GLU A 2 -10.572 10.090 -7.150 1.00 0.00 C ATOM 21 O GLU A 2 -10.625 9.100 -6.421 1.00 0.00 O ATOM 22 CB GLU A 2 -12.872 10.420 -8.050 1.00 0.00 C ATOM 23 CG GLU A 2 -12.397 10.185 -9.484 1.00 0.00 C ATOM 24 CD GLU A 2 -13.556 9.689 -10.341 1.00 0.00 C ATOM 25 OE1 GLU A 2 -13.294 9.136 -11.397 1.00 0.00 O ATOM 26 OE2 GLU A 2 -14.691 9.869 -9.929 1.00 0.00 O ATOM 0 H GLU A 2 -11.570 12.389 -8.854 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.097 11.276 -6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.172 9.476 -7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.748 11.068 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.996 11.110 -9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.588 9.454 -9.493 1.00 0.00 H new ATOM 33 N GLN A 3 -9.518 10.384 -7.899 1.00 0.00 N ATOM 34 CA GLN A 3 -8.329 9.537 -7.908 1.00 0.00 C ATOM 35 C GLN A 3 -7.919 9.156 -6.490 1.00 0.00 C ATOM 36 O GLN A 3 -8.161 8.032 -6.048 1.00 0.00 O ATOM 37 CB GLN A 3 -7.174 10.273 -8.591 1.00 0.00 C ATOM 38 CG GLN A 3 -5.996 9.313 -8.777 1.00 0.00 C ATOM 39 CD GLN A 3 -4.979 9.916 -9.741 1.00 0.00 C ATOM 40 OE1 GLN A 3 -4.420 10.979 -9.471 1.00 0.00 O ATOM 41 NE2 GLN A 3 -4.703 9.295 -10.854 1.00 0.00 N ATOM 0 H GLN A 3 -9.460 11.200 -8.508 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.564 8.626 -8.458 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.497 10.661 -9.557 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.868 11.129 -7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.524 9.113 -7.815 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.352 8.357 -9.162 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.168 8.414 -11.075 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.023 9.690 -11.503 1.00 0.00 H new ATOM 50 N PHE A 4 -7.303 10.095 -5.780 1.00 0.00 N ATOM 51 CA PHE A 4 -6.872 9.839 -4.411 1.00 0.00 C ATOM 52 C PHE A 4 -7.953 9.069 -3.668 1.00 0.00 C ATOM 53 O PHE A 4 -7.695 8.027 -3.066 1.00 0.00 O ATOM 54 CB PHE A 4 -6.599 11.163 -3.693 1.00 0.00 C ATOM 55 CG PHE A 4 -5.938 12.130 -4.650 1.00 0.00 C ATOM 56 CD1 PHE A 4 -6.492 13.400 -4.859 1.00 0.00 C ATOM 57 CD2 PHE A 4 -4.771 11.755 -5.326 1.00 0.00 C ATOM 58 CE1 PHE A 4 -5.878 14.293 -5.745 1.00 0.00 C ATOM 59 CE2 PHE A 4 -4.157 12.649 -6.211 1.00 0.00 C ATOM 60 CZ PHE A 4 -4.711 13.918 -6.421 1.00 0.00 C ATOM 0 H PHE A 4 -7.093 11.031 -6.126 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.956 9.248 -4.431 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.532 11.585 -3.319 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.957 10.994 -2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.392 13.690 -4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.344 10.776 -5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.305 15.272 -5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.256 12.360 -6.732 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.238 14.607 -7.105 1.00 0.00 H new ATOM 70 N ASN A 5 -9.165 9.599 -3.720 1.00 0.00 N ATOM 71 CA ASN A 5 -10.296 8.970 -3.054 1.00 0.00 C ATOM 72 C ASN A 5 -10.490 7.541 -3.561 1.00 0.00 C ATOM 73 O ASN A 5 -10.990 6.683 -2.836 1.00 0.00 O ATOM 74 CB ASN A 5 -11.569 9.794 -3.303 1.00 0.00 C ATOM 75 CG ASN A 5 -12.118 10.334 -1.985 1.00 0.00 C ATOM 76 OD1 ASN A 5 -11.756 11.432 -1.563 1.00 0.00 O ATOM 77 ND2 ASN A 5 -12.976 9.622 -1.307 1.00 0.00 N ATOM 0 H ASN A 5 -9.391 10.462 -4.215 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.095 8.932 -1.983 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.349 10.620 -3.979 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.321 9.175 -3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -13.348 9.975 -0.425 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -13.275 8.712 -1.659 1.00 0.00 H new ATOM 84 N ALA A 6 -10.100 7.293 -4.809 1.00 0.00 N ATOM 85 CA ALA A 6 -10.251 5.962 -5.390 1.00 0.00 C ATOM 86 C ALA A 6 -9.127 5.033 -4.936 1.00 0.00 C ATOM 87 O ALA A 6 -9.380 3.979 -4.348 1.00 0.00 O ATOM 88 CB ALA A 6 -10.256 6.058 -6.916 1.00 0.00 C ATOM 0 H ALA A 6 -9.683 7.986 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.199 5.547 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.369 5.061 -7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.086 6.687 -7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.317 6.494 -7.256 1.00 0.00 H new ATOM 94 N PHE A 7 -7.886 5.423 -5.212 1.00 0.00 N ATOM 95 CA PHE A 7 -6.739 4.608 -4.826 1.00 0.00 C ATOM 96 C PHE A 7 -6.692 4.433 -3.309 1.00 0.00 C ATOM 97 O PHE A 7 -6.511 3.326 -2.810 1.00 0.00 O ATOM 98 CB PHE A 7 -5.440 5.256 -5.330 1.00 0.00 C ATOM 99 CG PHE A 7 -4.287 4.887 -4.424 1.00 0.00 C ATOM 100 CD1 PHE A 7 -3.979 5.692 -3.321 1.00 0.00 C ATOM 101 CD2 PHE A 7 -3.526 3.742 -4.689 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.911 5.352 -2.482 1.00 0.00 C ATOM 103 CE2 PHE A 7 -2.458 3.402 -3.848 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.151 4.207 -2.746 1.00 0.00 C ATOM 0 H PHE A 7 -7.650 6.289 -5.696 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.841 3.623 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.232 4.927 -6.348 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.554 6.340 -5.362 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.565 6.576 -3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.762 3.121 -5.541 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.674 5.973 -1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.872 2.518 -4.051 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.327 3.945 -2.099 1.00 0.00 H new ATOM 114 N LYS A 8 -6.842 5.530 -2.581 1.00 0.00 N ATOM 115 CA LYS A 8 -6.803 5.472 -1.125 1.00 0.00 C ATOM 116 C LYS A 8 -7.947 4.618 -0.577 1.00 0.00 C ATOM 117 O LYS A 8 -7.737 3.754 0.279 1.00 0.00 O ATOM 118 CB LYS A 8 -6.896 6.886 -0.543 1.00 0.00 C ATOM 119 CG LYS A 8 -6.405 6.882 0.910 1.00 0.00 C ATOM 120 CD LYS A 8 -6.082 8.314 1.347 1.00 0.00 C ATOM 121 CE LYS A 8 -7.296 9.213 1.107 1.00 0.00 C ATOM 122 NZ LYS A 8 -7.126 10.487 1.859 1.00 0.00 N ATOM 0 H LYS A 8 -6.990 6.462 -2.968 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.858 5.015 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.295 7.574 -1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.926 7.241 -0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.168 6.456 1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.519 6.254 1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.809 8.330 2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.224 8.690 0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.405 9.419 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.206 8.707 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.951 11.099 1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.042 10.282 2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.266 10.971 1.531 1.00 0.00 H new ATOM 136 N SER A 9 -9.163 4.866 -1.052 1.00 0.00 N ATOM 137 CA SER A 9 -10.300 4.103 -0.559 1.00 0.00 C ATOM 138 C SER A 9 -10.033 2.611 -0.720 1.00 0.00 C ATOM 139 O SER A 9 -10.514 1.798 0.068 1.00 0.00 O ATOM 140 CB SER A 9 -11.584 4.493 -1.291 1.00 0.00 C ATOM 141 OG SER A 9 -11.963 5.809 -0.910 1.00 0.00 O ATOM 0 H SER A 9 -9.382 5.569 -1.758 1.00 0.00 H new ATOM 0 HA SER A 9 -10.433 4.331 0.498 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.430 4.445 -2.369 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.381 3.789 -1.051 1.00 0.00 H new ATOM 0 HG SER A 9 -11.591 6.454 -1.547 1.00 0.00 H new ATOM 147 N LEU A 10 -9.248 2.257 -1.736 1.00 0.00 N ATOM 148 CA LEU A 10 -8.920 0.856 -1.961 1.00 0.00 C ATOM 149 C LEU A 10 -8.085 0.334 -0.792 1.00 0.00 C ATOM 150 O LEU A 10 -8.211 -0.826 -0.405 1.00 0.00 O ATOM 151 CB LEU A 10 -8.168 0.671 -3.291 1.00 0.00 C ATOM 152 CG LEU A 10 -7.342 -0.631 -3.250 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.143 -1.179 -4.673 1.00 0.00 C ATOM 154 CD2 LEU A 10 -5.969 -0.359 -2.602 1.00 0.00 C ATOM 0 H LEU A 10 -8.835 2.909 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.846 0.284 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.877 0.636 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.512 1.523 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.881 -1.371 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.559 -2.098 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.114 -1.387 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.615 -0.441 -5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.390 -1.282 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.433 0.389 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.113 0.008 -1.586 1.00 0.00 H new ATOM 166 N LEU A 11 -7.245 1.195 -0.217 1.00 0.00 N ATOM 167 CA LEU A 11 -6.432 0.776 0.918 1.00 0.00 C ATOM 168 C LEU A 11 -7.360 0.379 2.059 1.00 0.00 C ATOM 169 O LEU A 11 -7.197 -0.682 2.656 1.00 0.00 O ATOM 170 CB LEU A 11 -5.483 1.899 1.367 1.00 0.00 C ATOM 171 CG LEU A 11 -4.093 1.697 0.747 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.369 3.045 0.675 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.277 0.728 1.612 1.00 0.00 C ATOM 0 H LEU A 11 -7.113 2.163 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.816 -0.073 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.886 2.867 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.407 1.908 2.454 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.201 1.283 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.382 2.905 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.946 3.735 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.264 3.456 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.291 0.587 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.168 1.139 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.791 -0.232 1.667 1.00 0.00 H new ATOM 185 N LYS A 12 -8.361 1.214 2.332 1.00 0.00 N ATOM 186 CA LYS A 12 -9.329 0.895 3.383 1.00 0.00 C ATOM 187 C LYS A 12 -9.670 -0.592 3.328 1.00 0.00 C ATOM 188 O LYS A 12 -9.472 -1.317 4.302 1.00 0.00 O ATOM 189 CB LYS A 12 -10.605 1.722 3.199 1.00 0.00 C ATOM 190 CG LYS A 12 -11.557 1.465 4.371 1.00 0.00 C ATOM 191 CD LYS A 12 -12.585 2.597 4.460 1.00 0.00 C ATOM 192 CE LYS A 12 -13.324 2.724 3.126 1.00 0.00 C ATOM 193 NZ LYS A 12 -14.520 3.594 3.305 1.00 0.00 N ATOM 0 H LYS A 12 -8.523 2.099 1.852 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.891 1.135 4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.358 2.782 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.089 1.458 2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.065 0.510 4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.994 1.399 5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.294 2.396 5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.087 3.536 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.663 3.147 2.370 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.627 1.739 2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.024 3.682 2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.153 3.172 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.219 4.536 3.626 1.00 0.00 H new ATOM 207 N LYS A 13 -10.151 -1.047 2.176 1.00 0.00 N ATOM 208 CA LYS A 13 -10.478 -2.459 1.999 1.00 0.00 C ATOM 209 C LYS A 13 -9.348 -3.324 2.550 1.00 0.00 C ATOM 210 O LYS A 13 -9.582 -4.328 3.223 1.00 0.00 O ATOM 211 CB LYS A 13 -10.663 -2.762 0.507 1.00 0.00 C ATOM 212 CG LYS A 13 -12.069 -2.334 0.049 1.00 0.00 C ATOM 213 CD LYS A 13 -12.969 -3.565 -0.119 1.00 0.00 C ATOM 214 CE LYS A 13 -13.224 -4.211 1.245 1.00 0.00 C ATOM 215 NZ LYS A 13 -13.761 -3.189 2.188 1.00 0.00 N ATOM 0 H LYS A 13 -10.322 -0.465 1.356 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.401 -2.681 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.907 -2.235 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.521 -3.827 0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.505 -1.652 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.003 -1.791 -0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.915 -3.276 -0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.497 -4.283 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.931 -5.034 1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.299 -4.633 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.790 -3.585 3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.146 -2.350 2.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.722 -2.918 1.896 1.00 0.00 H new ATOM 229 N HIS A 14 -8.121 -2.914 2.254 1.00 0.00 N ATOM 230 CA HIS A 14 -6.935 -3.630 2.710 1.00 0.00 C ATOM 231 C HIS A 14 -6.774 -3.527 4.224 1.00 0.00 C ATOM 232 O HIS A 14 -6.728 -4.538 4.924 1.00 0.00 O ATOM 233 CB HIS A 14 -5.691 -3.044 2.037 1.00 0.00 C ATOM 234 CG HIS A 14 -4.540 -4.000 2.187 1.00 0.00 C ATOM 235 ND1 HIS A 14 -4.658 -5.196 2.876 1.00 0.00 N ATOM 236 CD2 HIS A 14 -3.240 -3.949 1.746 1.00 0.00 C ATOM 237 CE1 HIS A 14 -3.462 -5.812 2.830 1.00 0.00 C ATOM 238 NE2 HIS A 14 -2.563 -5.095 2.153 1.00 0.00 N ATOM 0 H HIS A 14 -7.920 -2.084 1.696 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.052 -4.680 2.442 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.889 -2.860 0.981 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.440 -2.083 2.487 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.809 -3.143 1.171 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.255 -6.769 3.285 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.588 -5.335 1.972 1.00 0.00 H new ATOM 247 N TYR A 15 -6.669 -2.296 4.719 1.00 0.00 N ATOM 248 CA TYR A 15 -6.488 -2.059 6.147 1.00 0.00 C ATOM 249 C TYR A 15 -7.828 -1.787 6.826 1.00 0.00 C ATOM 250 O TYR A 15 -7.906 -1.007 7.775 1.00 0.00 O ATOM 251 CB TYR A 15 -5.551 -0.858 6.347 1.00 0.00 C ATOM 252 CG TYR A 15 -4.111 -1.322 6.316 1.00 0.00 C ATOM 253 CD1 TYR A 15 -3.226 -0.917 7.322 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.662 -2.157 5.285 1.00 0.00 C ATOM 255 CE1 TYR A 15 -1.895 -1.348 7.301 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.330 -2.587 5.263 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.447 -2.183 6.269 1.00 0.00 C ATOM 258 OH TYR A 15 -0.135 -2.608 6.247 1.00 0.00 O ATOM 0 H TYR A 15 -6.706 -1.449 4.152 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.050 -2.950 6.598 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.721 -0.118 5.565 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.766 -0.372 7.299 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.571 -0.271 8.116 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.343 -2.469 4.507 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.214 -1.037 8.079 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.984 -3.231 4.468 1.00 0.00 H new ATOM 0 HH TYR A 15 0.010 -3.181 5.465 1.00 0.00 H new ATOM 268 N GLU A 16 -8.877 -2.437 6.340 1.00 0.00 N ATOM 269 CA GLU A 16 -10.206 -2.252 6.916 1.00 0.00 C ATOM 270 C GLU A 16 -10.239 -2.743 8.362 1.00 0.00 C ATOM 271 O GLU A 16 -10.571 -1.987 9.275 1.00 0.00 O ATOM 272 CB GLU A 16 -11.243 -3.019 6.092 1.00 0.00 C ATOM 273 CG GLU A 16 -12.645 -2.504 6.427 1.00 0.00 C ATOM 274 CD GLU A 16 -13.697 -3.414 5.801 1.00 0.00 C ATOM 275 OE1 GLU A 16 -14.240 -4.239 6.518 1.00 0.00 O ATOM 276 OE2 GLU A 16 -13.945 -3.272 4.616 1.00 0.00 O ATOM 0 H GLU A 16 -8.837 -3.090 5.558 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.442 -1.188 6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.043 -2.893 5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.175 -4.086 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.780 -2.468 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.766 -1.486 6.057 1.00 0.00 H new ATOM 283 N LYS A 17 -9.902 -4.014 8.561 1.00 0.00 N ATOM 284 CA LYS A 17 -9.905 -4.597 9.900 1.00 0.00 C ATOM 285 C LYS A 17 -8.600 -4.281 10.631 1.00 0.00 C ATOM 286 O LYS A 17 -8.333 -4.826 11.702 1.00 0.00 O ATOM 287 CB LYS A 17 -10.093 -6.121 9.801 1.00 0.00 C ATOM 288 CG LYS A 17 -11.356 -6.541 10.558 1.00 0.00 C ATOM 289 CD LYS A 17 -11.447 -8.069 10.593 1.00 0.00 C ATOM 290 CE LYS A 17 -12.610 -8.496 11.492 1.00 0.00 C ATOM 291 NZ LYS A 17 -12.472 -9.939 11.830 1.00 0.00 N ATOM 0 H LYS A 17 -9.625 -4.656 7.819 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.730 -4.164 10.466 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.169 -6.420 8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.224 -6.631 10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.333 -6.144 11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.239 -6.125 10.073 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.592 -8.457 9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.513 -8.490 10.965 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.618 -7.897 12.403 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.559 -8.319 10.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.262 -10.230 12.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.484 -10.503 10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.573 -10.094 12.329 1.00 0.00 H new ATOM 305 N THR A 18 -7.793 -3.400 10.047 1.00 0.00 N ATOM 306 CA THR A 18 -6.519 -3.021 10.656 1.00 0.00 C ATOM 307 C THR A 18 -6.671 -1.724 11.446 1.00 0.00 C ATOM 308 O THR A 18 -5.914 -0.773 11.249 1.00 0.00 O ATOM 309 CB THR A 18 -5.455 -2.841 9.569 1.00 0.00 C ATOM 310 OG1 THR A 18 -5.565 -3.899 8.629 1.00 0.00 O ATOM 311 CG2 THR A 18 -4.057 -2.862 10.199 1.00 0.00 C ATOM 0 H THR A 18 -7.995 -2.938 9.160 1.00 0.00 H new ATOM 0 HA THR A 18 -6.210 -3.814 11.337 1.00 0.00 H new ATOM 0 HB THR A 18 -5.607 -1.885 9.069 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.787 -3.890 8.034 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.305 -2.734 9.420 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.972 -2.052 10.923 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.899 -3.816 10.702 1.00 0.00 H new ATOM 319 N ILE A 19 -7.655 -1.693 12.341 1.00 0.00 N ATOM 320 CA ILE A 19 -7.903 -0.510 13.156 1.00 0.00 C ATOM 321 C ILE A 19 -6.678 -0.172 13.999 1.00 0.00 C ATOM 322 O ILE A 19 -5.885 0.689 13.630 1.00 0.00 O ATOM 323 CB ILE A 19 -9.114 -0.752 14.070 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.473 -2.242 14.076 1.00 0.00 C ATOM 325 CG2 ILE A 19 -10.312 0.049 13.565 1.00 0.00 C ATOM 326 CD1 ILE A 19 -10.489 -2.517 15.186 1.00 0.00 C ATOM 0 H ILE A 19 -8.291 -2.471 12.519 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.111 0.331 12.494 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.861 -0.434 15.081 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.887 -2.531 13.110 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.577 -2.842 14.232 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -11.168 -0.126 14.217 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.066 1.111 13.566 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.558 -0.265 12.551 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -10.745 -3.577 15.191 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.059 -2.243 16.149 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.389 -1.927 15.010 1.00 0.00 H new ATOM 338 N GLY A 20 -6.550 -0.841 15.142 1.00 0.00 N ATOM 339 CA GLY A 20 -5.434 -0.610 16.063 1.00 0.00 C ATOM 340 C GLY A 20 -4.252 0.087 15.384 1.00 0.00 C ATOM 341 O GLY A 20 -3.680 1.028 15.934 1.00 0.00 O ATOM 0 H GLY A 20 -7.209 -1.553 15.457 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.778 -0.003 16.901 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.103 -1.563 16.474 1.00 0.00 H new ATOM 345 N PHE A 21 -3.894 -0.376 14.192 1.00 0.00 N ATOM 346 CA PHE A 21 -2.781 0.217 13.452 1.00 0.00 C ATOM 347 C PHE A 21 -3.143 1.625 12.986 1.00 0.00 C ATOM 348 O PHE A 21 -2.331 2.546 13.066 1.00 0.00 O ATOM 349 CB PHE A 21 -2.441 -0.655 12.242 1.00 0.00 C ATOM 350 CG PHE A 21 -1.136 -0.198 11.629 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.113 0.302 10.321 1.00 0.00 C ATOM 352 CD2 PHE A 21 0.051 -0.281 12.367 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.096 0.719 9.752 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.260 0.138 11.798 1.00 0.00 C ATOM 355 CZ PHE A 21 1.282 0.637 10.491 1.00 0.00 C ATOM 0 H PHE A 21 -4.353 -1.154 13.718 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.915 0.277 14.111 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.365 -1.699 12.545 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.240 -0.595 11.503 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.028 0.366 9.751 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.034 -0.668 13.375 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.114 1.104 8.743 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.175 0.076 12.368 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.215 0.959 10.052 1.00 0.00 H new ATOM 365 N HIS A 22 -4.372 1.779 12.507 1.00 0.00 N ATOM 366 CA HIS A 22 -4.851 3.073 12.036 1.00 0.00 C ATOM 367 C HIS A 22 -5.043 4.034 13.203 1.00 0.00 C ATOM 368 O HIS A 22 -5.116 5.245 13.010 1.00 0.00 O ATOM 369 CB HIS A 22 -6.176 2.893 11.289 1.00 0.00 C ATOM 370 CG HIS A 22 -6.535 4.168 10.577 1.00 0.00 C ATOM 371 ND1 HIS A 22 -6.952 5.303 11.257 1.00 0.00 N ATOM 372 CD2 HIS A 22 -6.551 4.503 9.246 1.00 0.00 C ATOM 373 CE1 HIS A 22 -7.199 6.257 10.341 1.00 0.00 C ATOM 374 NE2 HIS A 22 -6.971 5.822 9.099 1.00 0.00 N ATOM 0 H HIS A 22 -5.054 1.024 12.435 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.106 3.494 11.360 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -6.092 2.076 10.572 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.966 2.622 11.990 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.053 5.397 12.268 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.279 3.843 8.435 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.540 7.253 10.581 1.00 0.00 H new ATOM 383 N ASP A 23 -5.093 3.500 14.418 1.00 0.00 N ATOM 384 CA ASP A 23 -5.239 4.340 15.605 1.00 0.00 C ATOM 385 C ASP A 23 -3.867 4.671 16.186 1.00 0.00 C ATOM 386 O ASP A 23 -3.741 5.518 17.070 1.00 0.00 O ATOM 387 CB ASP A 23 -6.098 3.633 16.657 1.00 0.00 C ATOM 388 CG ASP A 23 -6.673 4.652 17.635 1.00 0.00 C ATOM 389 OD1 ASP A 23 -6.370 4.551 18.813 1.00 0.00 O ATOM 390 OD2 ASP A 23 -7.408 5.519 17.192 1.00 0.00 O ATOM 0 H ASP A 23 -5.035 2.500 14.608 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.734 5.267 15.316 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.907 3.088 16.171 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.497 2.900 17.195 1.00 0.00 H new ATOM 395 N LYS A 24 -2.846 3.974 15.696 1.00 0.00 N ATOM 396 CA LYS A 24 -1.483 4.169 16.181 1.00 0.00 C ATOM 397 C LYS A 24 -0.761 5.302 15.443 1.00 0.00 C ATOM 398 O LYS A 24 -0.482 6.347 16.030 1.00 0.00 O ATOM 399 CB LYS A 24 -0.694 2.860 16.022 1.00 0.00 C ATOM 400 CG LYS A 24 0.279 2.686 17.198 1.00 0.00 C ATOM 401 CD LYS A 24 -0.457 2.084 18.400 1.00 0.00 C ATOM 402 CE LYS A 24 0.555 1.717 19.488 1.00 0.00 C ATOM 403 NZ LYS A 24 1.643 2.734 19.518 1.00 0.00 N ATOM 0 H LYS A 24 -2.936 3.270 14.964 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.541 4.451 17.232 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.381 2.015 15.980 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.143 2.870 15.082 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.105 2.038 16.905 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.710 3.649 17.470 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.183 2.798 18.790 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.014 1.199 18.093 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.061 1.669 20.458 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.972 0.729 19.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.184 2.638 20.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.276 2.589 18.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.229 3.687 19.468 1.00 0.00 H new ATOM 417 N TYR A 25 -0.437 5.083 14.169 1.00 0.00 N ATOM 418 CA TYR A 25 0.285 6.094 13.388 1.00 0.00 C ATOM 419 C TYR A 25 -0.508 6.552 12.168 1.00 0.00 C ATOM 420 O TYR A 25 -0.862 7.726 12.053 1.00 0.00 O ATOM 421 CB TYR A 25 1.626 5.523 12.925 1.00 0.00 C ATOM 422 CG TYR A 25 2.268 4.757 14.057 1.00 0.00 C ATOM 423 CD1 TYR A 25 2.241 3.358 14.058 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.892 5.446 15.104 1.00 0.00 C ATOM 425 CE1 TYR A 25 2.838 2.647 15.106 1.00 0.00 C ATOM 426 CE2 TYR A 25 3.489 4.735 16.153 1.00 0.00 C ATOM 427 CZ TYR A 25 3.462 3.336 16.153 1.00 0.00 C ATOM 428 OH TYR A 25 4.050 2.635 17.186 1.00 0.00 O ATOM 0 H TYR A 25 -0.658 4.228 13.659 1.00 0.00 H new ATOM 0 HA TYR A 25 0.438 6.958 14.035 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.477 4.867 12.067 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.283 6.329 12.599 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.760 2.827 13.250 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.913 6.526 15.103 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.817 1.567 15.107 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.970 5.266 16.961 1.00 0.00 H new ATOM 0 HH TYR A 25 4.438 3.264 17.829 1.00 0.00 H new ATOM 438 N ILE A 26 -0.759 5.626 11.248 1.00 0.00 N ATOM 439 CA ILE A 26 -1.487 5.942 10.021 1.00 0.00 C ATOM 440 C ILE A 26 -2.654 6.893 10.296 1.00 0.00 C ATOM 441 O ILE A 26 -3.189 7.503 9.371 1.00 0.00 O ATOM 442 CB ILE A 26 -1.992 4.645 9.372 1.00 0.00 C ATOM 443 CG1 ILE A 26 -0.856 3.998 8.571 1.00 0.00 C ATOM 444 CG2 ILE A 26 -3.163 4.943 8.430 1.00 0.00 C ATOM 445 CD1 ILE A 26 0.366 3.806 9.470 1.00 0.00 C ATOM 0 H ILE A 26 -0.470 4.651 11.327 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.806 6.447 9.336 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.328 3.967 10.157 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.181 3.037 8.173 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.597 4.625 7.718 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.511 4.015 7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.977 5.399 8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.836 5.628 7.648 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.171 3.346 8.897 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.696 4.774 9.847 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.103 3.161 10.308 1.00 0.00 H new ATOM 457 N LYS A 27 -3.033 7.019 11.569 1.00 0.00 N ATOM 458 CA LYS A 27 -4.133 7.906 11.969 1.00 0.00 C ATOM 459 C LYS A 27 -4.561 8.826 10.829 1.00 0.00 C ATOM 460 O LYS A 27 -5.706 8.781 10.379 1.00 0.00 O ATOM 461 CB LYS A 27 -3.697 8.756 13.163 1.00 0.00 C ATOM 462 CG LYS A 27 -4.860 9.648 13.605 1.00 0.00 C ATOM 463 CD LYS A 27 -4.551 10.251 14.976 1.00 0.00 C ATOM 464 CE LYS A 27 -5.550 11.370 15.278 1.00 0.00 C ATOM 465 NZ LYS A 27 -6.930 10.807 15.304 1.00 0.00 N ATOM 0 H LYS A 27 -2.596 6.519 12.343 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.984 7.280 12.238 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.384 8.113 13.986 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.837 9.369 12.892 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.021 10.442 12.875 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.781 9.066 13.651 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.608 9.481 15.745 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.534 10.643 14.992 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.316 11.833 16.237 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.478 12.151 14.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.584 11.510 15.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.227 10.570 14.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.943 9.948 15.890 1.00 0.00 H new ATOM 479 N ASP A 28 -3.635 9.660 10.367 1.00 0.00 N ATOM 480 CA ASP A 28 -3.931 10.584 9.279 1.00 0.00 C ATOM 481 C ASP A 28 -2.651 11.227 8.754 1.00 0.00 C ATOM 482 O ASP A 28 -2.170 12.216 9.307 1.00 0.00 O ATOM 483 CB ASP A 28 -4.887 11.674 9.768 1.00 0.00 C ATOM 484 CG ASP A 28 -5.375 12.507 8.587 1.00 0.00 C ATOM 485 OD1 ASP A 28 -6.399 12.159 8.024 1.00 0.00 O ATOM 486 OD2 ASP A 28 -4.716 13.483 8.265 1.00 0.00 O ATOM 0 H ASP A 28 -2.682 9.715 10.725 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.399 10.023 8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.736 11.222 10.280 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.382 12.314 10.492 1.00 0.00 H new ATOM 491 N ILE A 29 -2.107 10.659 7.683 1.00 0.00 N ATOM 492 CA ILE A 29 -0.884 11.188 7.087 1.00 0.00 C ATOM 493 C ILE A 29 -1.201 12.427 6.252 1.00 0.00 C ATOM 494 O ILE A 29 -2.368 12.757 6.040 1.00 0.00 O ATOM 495 CB ILE A 29 -0.221 10.118 6.205 1.00 0.00 C ATOM 496 CG1 ILE A 29 -0.592 8.726 6.726 1.00 0.00 C ATOM 497 CG2 ILE A 29 1.302 10.282 6.246 1.00 0.00 C ATOM 498 CD1 ILE A 29 0.200 7.665 5.959 1.00 0.00 C ATOM 0 H ILE A 29 -2.489 9.839 7.212 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.196 11.465 7.885 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.570 10.233 5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.376 8.656 7.792 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.662 8.554 6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.767 9.521 5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.572 11.271 5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.652 10.171 7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.064 6.675 6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.038 7.730 4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.267 7.833 6.103 1.00 0.00 H new ATOM 510 N ASN A 30 -0.163 13.113 5.785 1.00 0.00 N ATOM 511 CA ASN A 30 -0.360 14.317 4.981 1.00 0.00 C ATOM 512 C ASN A 30 0.722 14.451 3.913 1.00 0.00 C ATOM 513 O ASN A 30 0.786 15.464 3.216 1.00 0.00 O ATOM 514 CB ASN A 30 -0.342 15.553 5.883 1.00 0.00 C ATOM 515 CG ASN A 30 -1.430 15.438 6.945 1.00 0.00 C ATOM 516 OD1 ASN A 30 -1.129 15.331 8.135 1.00 0.00 O ATOM 517 ND2 ASN A 30 -2.684 15.456 6.586 1.00 0.00 N ATOM 0 H ASN A 30 0.812 12.861 5.946 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.327 14.236 4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.634 15.652 6.359 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.498 16.452 5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.417 15.381 7.291 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.931 15.545 5.600 1.00 0.00 H new ATOM 524 N ARG A 31 1.569 13.431 3.780 1.00 0.00 N ATOM 525 CA ARG A 31 2.639 13.466 2.781 1.00 0.00 C ATOM 526 C ARG A 31 2.676 12.176 1.965 1.00 0.00 C ATOM 527 O ARG A 31 3.238 11.168 2.393 1.00 0.00 O ATOM 528 CB ARG A 31 3.996 13.667 3.453 1.00 0.00 C ATOM 529 CG ARG A 31 4.020 14.978 4.238 1.00 0.00 C ATOM 530 CD ARG A 31 3.947 16.169 3.276 1.00 0.00 C ATOM 531 NE ARG A 31 4.428 17.379 3.934 1.00 0.00 N ATOM 532 CZ ARG A 31 4.916 18.397 3.232 1.00 0.00 C ATOM 533 NH1 ARG A 31 4.986 18.319 1.931 1.00 0.00 N ATOM 534 NH2 ARG A 31 5.329 19.474 3.843 1.00 0.00 N ATOM 0 H ARG A 31 1.538 12.581 4.342 1.00 0.00 H new ATOM 0 HA ARG A 31 2.433 14.303 2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.203 12.832 4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.783 13.674 2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.181 15.010 4.933 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.931 15.037 4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.547 15.966 2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.920 16.313 2.941 1.00 0.00 H new ATOM 0 HE ARG A 31 4.389 17.445 4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.666 17.477 1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.360 19.100 1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.277 19.535 4.860 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.703 20.255 3.304 1.00 0.00 H new ATOM 548 N PHE A 32 2.084 12.234 0.779 1.00 0.00 N ATOM 549 CA PHE A 32 2.050 11.093 -0.130 1.00 0.00 C ATOM 550 C PHE A 32 1.975 11.616 -1.562 1.00 0.00 C ATOM 551 O PHE A 32 1.145 12.474 -1.863 1.00 0.00 O ATOM 552 CB PHE A 32 0.831 10.213 0.168 1.00 0.00 C ATOM 553 CG PHE A 32 -0.330 11.080 0.595 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.580 11.295 1.955 1.00 0.00 C ATOM 555 CD2 PHE A 32 -1.160 11.665 -0.370 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.658 12.095 2.352 1.00 0.00 C ATOM 557 CE2 PHE A 32 -2.238 12.466 0.028 1.00 0.00 C ATOM 558 CZ PHE A 32 -2.486 12.680 1.388 1.00 0.00 C ATOM 0 H PHE A 32 1.617 13.067 0.421 1.00 0.00 H new ATOM 0 HA PHE A 32 2.949 10.491 0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.561 9.637 -0.717 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.071 9.497 0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.059 10.843 2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.969 11.499 -1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.850 12.260 3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.878 12.918 -0.715 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.318 13.297 1.694 1.00 0.00 H new ATOM 568 N VAL A 33 2.853 11.132 -2.440 1.00 0.00 N ATOM 569 CA VAL A 33 2.853 11.619 -3.819 1.00 0.00 C ATOM 570 C VAL A 33 3.149 10.517 -4.832 1.00 0.00 C ATOM 571 O VAL A 33 3.801 9.515 -4.522 1.00 0.00 O ATOM 572 CB VAL A 33 3.896 12.727 -3.968 1.00 0.00 C ATOM 573 CG1 VAL A 33 3.483 13.936 -3.128 1.00 0.00 C ATOM 574 CG2 VAL A 33 5.255 12.213 -3.489 1.00 0.00 C ATOM 0 H VAL A 33 3.555 10.423 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 33 1.852 11.997 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 33 3.966 13.021 -5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.227 14.725 -3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.515 14.302 -3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.412 13.644 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.000 13.002 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.184 11.918 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.550 11.352 -4.089 1.00 0.00 H new ATOM 584 N PHE A 34 2.671 10.741 -6.056 1.00 0.00 N ATOM 585 CA PHE A 34 2.873 9.809 -7.164 1.00 0.00 C ATOM 586 C PHE A 34 3.604 10.531 -8.294 1.00 0.00 C ATOM 587 O PHE A 34 3.135 11.562 -8.778 1.00 0.00 O ATOM 588 CB PHE A 34 1.519 9.286 -7.684 1.00 0.00 C ATOM 589 CG PHE A 34 0.428 9.544 -6.666 1.00 0.00 C ATOM 590 CD1 PHE A 34 -0.237 8.467 -6.068 1.00 0.00 C ATOM 591 CD2 PHE A 34 0.079 10.857 -6.323 1.00 0.00 C ATOM 592 CE1 PHE A 34 -1.248 8.701 -5.128 1.00 0.00 C ATOM 593 CE2 PHE A 34 -0.931 11.090 -5.383 1.00 0.00 C ATOM 594 CZ PHE A 34 -1.594 10.013 -4.785 1.00 0.00 C ATOM 0 H PHE A 34 2.134 11.571 -6.306 1.00 0.00 H new ATOM 0 HA PHE A 34 3.463 8.962 -6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.270 9.776 -8.625 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.589 8.218 -7.889 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.030 7.454 -6.332 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.590 11.689 -6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.761 7.869 -4.668 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.199 12.102 -5.119 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.373 10.194 -4.059 1.00 0.00 H new ATOM 604 N LYS A 35 4.758 10.006 -8.704 1.00 0.00 N ATOM 605 CA LYS A 35 5.536 10.643 -9.767 1.00 0.00 C ATOM 606 C LYS A 35 5.702 9.717 -10.968 1.00 0.00 C ATOM 607 O LYS A 35 5.128 9.959 -12.029 1.00 0.00 O ATOM 608 CB LYS A 35 6.918 11.033 -9.229 1.00 0.00 C ATOM 609 CG LYS A 35 7.532 12.129 -10.110 1.00 0.00 C ATOM 610 CD LYS A 35 7.093 13.506 -9.601 1.00 0.00 C ATOM 611 CE LYS A 35 7.392 14.563 -10.664 1.00 0.00 C ATOM 612 NZ LYS A 35 8.728 14.296 -11.269 1.00 0.00 N ATOM 0 H LYS A 35 5.171 9.154 -8.324 1.00 0.00 H new ATOM 0 HA LYS A 35 4.996 11.532 -10.094 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.831 11.386 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.571 10.160 -9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.619 12.055 -10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.218 11.996 -11.145 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.028 13.498 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.617 13.747 -8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.622 14.546 -11.435 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.375 15.557 -10.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.097 15.170 -11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.383 13.966 -10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.637 13.565 -12.003 1.00 0.00 H new ATOM 626 N ASN A 36 6.497 8.663 -10.801 1.00 0.00 N ATOM 627 CA ASN A 36 6.738 7.717 -11.889 1.00 0.00 C ATOM 628 C ASN A 36 6.281 6.315 -11.503 1.00 0.00 C ATOM 629 O ASN A 36 7.086 5.483 -11.090 1.00 0.00 O ATOM 630 CB ASN A 36 8.228 7.691 -12.230 1.00 0.00 C ATOM 631 CG ASN A 36 8.441 7.016 -13.581 1.00 0.00 C ATOM 632 OD1 ASN A 36 9.215 6.064 -13.686 1.00 0.00 O ATOM 633 ND2 ASN A 36 7.795 7.454 -14.627 1.00 0.00 N ATOM 0 H ASN A 36 6.982 8.443 -9.931 1.00 0.00 H new ATOM 0 HA ASN A 36 6.166 8.042 -12.758 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.622 8.707 -12.256 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.778 7.156 -11.456 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.931 7.008 -15.534 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.154 8.243 -14.537 1.00 0.00 H new ATOM 640 N ASN A 37 4.986 6.060 -11.650 1.00 0.00 N ATOM 641 CA ASN A 37 4.432 4.751 -11.321 1.00 0.00 C ATOM 642 C ASN A 37 4.891 4.302 -9.937 1.00 0.00 C ATOM 643 O ASN A 37 4.746 3.134 -9.574 1.00 0.00 O ATOM 644 CB ASN A 37 4.869 3.725 -12.368 1.00 0.00 C ATOM 645 CG ASN A 37 4.508 4.219 -13.764 1.00 0.00 C ATOM 646 OD1 ASN A 37 3.464 4.984 -13.925 1.00 0.00 O flip ATOM 647 ND2 ASN A 37 5.196 3.900 -14.734 1.00 0.00 N flip ATOM 0 H ASN A 37 4.304 6.737 -11.992 1.00 0.00 H new ATOM 0 HA ASN A 37 3.345 4.827 -11.318 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.944 3.558 -12.299 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.385 2.768 -12.175 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.012 3.302 -14.606 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.950 4.234 -15.666 1.00 0.00 H new ATOM 654 N VAL A 38 5.439 5.238 -9.168 1.00 0.00 N ATOM 655 CA VAL A 38 5.914 4.935 -7.820 1.00 0.00 C ATOM 656 C VAL A 38 5.166 5.779 -6.792 1.00 0.00 C ATOM 657 O VAL A 38 4.852 6.943 -7.041 1.00 0.00 O ATOM 658 CB VAL A 38 7.418 5.208 -7.717 1.00 0.00 C ATOM 659 CG1 VAL A 38 7.862 5.069 -6.259 1.00 0.00 C ATOM 660 CG2 VAL A 38 8.185 4.197 -8.580 1.00 0.00 C ATOM 0 H VAL A 38 5.565 6.209 -9.453 1.00 0.00 H new ATOM 0 HA VAL A 38 5.727 3.881 -7.616 1.00 0.00 H new ATOM 0 HB VAL A 38 7.627 6.218 -8.069 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.932 5.263 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.319 5.786 -5.643 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.651 4.058 -5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.255 4.393 -8.506 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.976 3.186 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.870 4.293 -9.619 1.00 0.00 H new ATOM 670 N LEU A 39 4.888 5.181 -5.637 1.00 0.00 N ATOM 671 CA LEU A 39 4.174 5.876 -4.566 1.00 0.00 C ATOM 672 C LEU A 39 5.022 5.909 -3.299 1.00 0.00 C ATOM 673 O LEU A 39 5.395 4.860 -2.769 1.00 0.00 O ATOM 674 CB LEU A 39 2.850 5.153 -4.270 1.00 0.00 C ATOM 675 CG LEU A 39 1.719 5.759 -5.106 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.007 5.553 -6.598 1.00 0.00 C ATOM 677 CD2 LEU A 39 0.397 5.074 -4.741 1.00 0.00 C ATOM 0 H LEU A 39 5.145 4.219 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 39 3.972 6.897 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.949 4.091 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.612 5.234 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 39 1.649 6.827 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.199 5.986 -7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.947 6.040 -6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.080 4.486 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.411 5.503 -5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.471 4.006 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.189 5.225 -3.682 1.00 0.00 H new ATOM 689 N LEU A 40 5.327 7.112 -2.812 1.00 0.00 N ATOM 690 CA LEU A 40 6.136 7.250 -1.599 1.00 0.00 C ATOM 691 C LEU A 40 5.328 7.960 -0.514 1.00 0.00 C ATOM 692 O LEU A 40 4.532 8.854 -0.803 1.00 0.00 O ATOM 693 CB LEU A 40 7.421 8.039 -1.914 1.00 0.00 C ATOM 694 CG LEU A 40 8.666 7.200 -1.584 1.00 0.00 C ATOM 695 CD1 LEU A 40 9.861 7.715 -2.393 1.00 0.00 C ATOM 696 CD2 LEU A 40 8.979 7.315 -0.089 1.00 0.00 C ATOM 0 H LEU A 40 5.032 7.994 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 40 6.413 6.260 -1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.433 8.319 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.436 8.964 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 40 8.476 6.157 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.743 7.119 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.642 7.634 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.050 8.758 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.862 6.720 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.167 8.358 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.131 6.949 0.490 1.00 0.00 H new ATOM 708 N ILE A 41 5.530 7.536 0.733 1.00 0.00 N ATOM 709 CA ILE A 41 4.804 8.120 1.860 1.00 0.00 C ATOM 710 C ILE A 41 5.714 8.273 3.080 1.00 0.00 C ATOM 711 O ILE A 41 6.471 7.364 3.422 1.00 0.00 O ATOM 712 CB ILE A 41 3.627 7.212 2.218 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.814 6.918 0.954 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.738 7.897 3.258 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.529 6.175 1.326 1.00 0.00 C ATOM 0 H ILE A 41 6.185 6.796 0.987 1.00 0.00 H new ATOM 0 HA ILE A 41 4.448 9.109 1.571 1.00 0.00 H new ATOM 0 HB ILE A 41 4.003 6.278 2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.571 7.849 0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.405 6.318 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.902 7.244 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.320 8.101 4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.358 8.834 2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.954 5.968 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.781 5.236 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.935 6.791 2.001 1.00 0.00 H new ATOM 727 N LEU A 42 5.634 9.428 3.732 1.00 0.00 N ATOM 728 CA LEU A 42 6.455 9.691 4.913 1.00 0.00 C ATOM 729 C LEU A 42 6.152 8.686 6.023 1.00 0.00 C ATOM 730 O LEU A 42 4.993 8.368 6.289 1.00 0.00 O ATOM 731 CB LEU A 42 6.183 11.104 5.442 1.00 0.00 C ATOM 732 CG LEU A 42 6.950 12.148 4.617 1.00 0.00 C ATOM 733 CD1 LEU A 42 8.458 12.026 4.881 1.00 0.00 C ATOM 734 CD2 LEU A 42 6.672 11.937 3.125 1.00 0.00 C ATOM 0 H LEU A 42 5.014 10.193 3.467 1.00 0.00 H new ATOM 0 HA LEU A 42 7.500 9.597 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.114 11.314 5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.481 11.170 6.489 1.00 0.00 H new ATOM 0 HG LEU A 42 6.616 13.143 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.992 12.771 4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.657 12.191 5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.797 11.029 4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.218 12.680 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.996 10.938 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.604 12.042 2.935 1.00 0.00 H new ATOM 746 N LEU A 43 7.205 8.206 6.675 1.00 0.00 N ATOM 747 CA LEU A 43 7.052 7.254 7.771 1.00 0.00 C ATOM 748 C LEU A 43 8.332 7.180 8.600 1.00 0.00 C ATOM 749 O LEU A 43 9.275 6.476 8.238 1.00 0.00 O ATOM 750 CB LEU A 43 6.718 5.865 7.227 1.00 0.00 C ATOM 751 CG LEU A 43 6.261 4.958 8.379 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.770 5.176 8.657 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.489 3.491 8.006 1.00 0.00 C ATOM 0 H LEU A 43 8.171 8.459 6.465 1.00 0.00 H new ATOM 0 HA LEU A 43 6.236 7.598 8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.933 5.937 6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.592 5.435 6.737 1.00 0.00 H new ATOM 0 HG LEU A 43 6.838 5.205 9.270 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.454 4.529 9.475 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.599 6.217 8.931 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.194 4.937 7.763 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.163 2.852 8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.917 3.250 7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.549 3.325 7.816 1.00 0.00 H new ATOM 765 N GLU A 44 8.358 7.910 9.711 1.00 0.00 N ATOM 766 CA GLU A 44 9.529 7.920 10.583 1.00 0.00 C ATOM 767 C GLU A 44 9.423 6.833 11.649 1.00 0.00 C ATOM 768 O GLU A 44 10.430 6.254 12.060 1.00 0.00 O ATOM 769 CB GLU A 44 9.665 9.287 11.258 1.00 0.00 C ATOM 770 CG GLU A 44 8.300 9.740 11.780 1.00 0.00 C ATOM 771 CD GLU A 44 8.472 10.910 12.742 1.00 0.00 C ATOM 772 OE1 GLU A 44 9.375 11.702 12.526 1.00 0.00 O ATOM 773 OE2 GLU A 44 7.699 10.997 13.681 1.00 0.00 O ATOM 0 H GLU A 44 7.588 8.499 10.028 1.00 0.00 H new ATOM 0 HA GLU A 44 10.410 7.724 9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.379 9.229 12.080 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.055 10.017 10.549 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.662 10.034 10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.802 8.913 12.286 1.00 0.00 H new ATOM 780 N ASN A 45 8.201 6.561 12.097 1.00 0.00 N ATOM 781 CA ASN A 45 7.981 5.542 13.120 1.00 0.00 C ATOM 782 C ASN A 45 8.820 4.299 12.828 1.00 0.00 C ATOM 783 O ASN A 45 8.728 3.714 11.749 1.00 0.00 O ATOM 784 CB ASN A 45 6.490 5.170 13.176 1.00 0.00 C ATOM 785 CG ASN A 45 5.920 5.466 14.561 1.00 0.00 C ATOM 786 OD1 ASN A 45 5.308 6.599 14.778 1.00 0.00 O flip ATOM 787 ND2 ASN A 45 6.036 4.644 15.469 1.00 0.00 N flip ATOM 0 H ASN A 45 7.354 7.027 11.772 1.00 0.00 H new ATOM 0 HA ASN A 45 8.286 5.946 14.085 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.940 5.732 12.421 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.363 4.113 12.942 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.514 3.759 15.298 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.654 4.847 16.393 1.00 0.00 H new ATOM 794 N GLU A 46 9.638 3.905 13.798 1.00 0.00 N ATOM 795 CA GLU A 46 10.491 2.733 13.637 1.00 0.00 C ATOM 796 C GLU A 46 9.650 1.464 13.529 1.00 0.00 C ATOM 797 O GLU A 46 9.917 0.603 12.691 1.00 0.00 O ATOM 798 CB GLU A 46 11.447 2.614 14.826 1.00 0.00 C ATOM 799 CG GLU A 46 12.230 1.303 14.724 1.00 0.00 C ATOM 800 CD GLU A 46 13.424 1.334 15.673 1.00 0.00 C ATOM 801 OE1 GLU A 46 13.381 2.098 16.623 1.00 0.00 O ATOM 802 OE2 GLU A 46 14.364 0.592 15.436 1.00 0.00 O ATOM 0 H GLU A 46 9.728 4.376 14.698 1.00 0.00 H new ATOM 0 HA GLU A 46 11.066 2.852 12.719 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.134 3.460 14.839 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.887 2.643 15.761 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.581 0.462 14.970 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.572 1.153 13.700 1.00 0.00 H new ATOM 809 N PHE A 47 8.637 1.353 14.383 1.00 0.00 N ATOM 810 CA PHE A 47 7.770 0.180 14.371 1.00 0.00 C ATOM 811 C PHE A 47 6.969 0.121 13.074 1.00 0.00 C ATOM 812 O PHE A 47 7.178 -0.762 12.243 1.00 0.00 O ATOM 813 CB PHE A 47 6.809 0.223 15.560 1.00 0.00 C ATOM 814 CG PHE A 47 7.592 0.410 16.840 1.00 0.00 C ATOM 815 CD1 PHE A 47 8.479 -0.585 17.268 1.00 0.00 C ATOM 816 CD2 PHE A 47 7.429 1.577 17.599 1.00 0.00 C ATOM 817 CE1 PHE A 47 9.202 -0.415 18.455 1.00 0.00 C ATOM 818 CE2 PHE A 47 8.153 1.747 18.785 1.00 0.00 C ATOM 819 CZ PHE A 47 9.039 0.751 19.213 1.00 0.00 C ATOM 0 H PHE A 47 8.398 2.053 15.085 1.00 0.00 H new ATOM 0 HA PHE A 47 8.396 -0.709 14.443 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.097 1.039 15.435 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.231 -0.700 15.607 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.606 -1.484 16.683 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.745 2.345 17.269 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.885 -1.183 18.786 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.028 2.646 19.370 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.597 0.882 20.128 1.00 0.00 H new ATOM 829 N ALA A 48 6.051 1.068 12.910 1.00 0.00 N ATOM 830 CA ALA A 48 5.220 1.119 11.711 1.00 0.00 C ATOM 831 C ALA A 48 6.032 0.760 10.472 1.00 0.00 C ATOM 832 O ALA A 48 5.549 0.056 9.588 1.00 0.00 O ATOM 833 CB ALA A 48 4.626 2.519 11.541 1.00 0.00 C ATOM 0 H ALA A 48 5.864 1.807 13.588 1.00 0.00 H new ATOM 0 HA ALA A 48 4.415 0.393 11.827 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.008 2.546 10.644 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.015 2.763 12.410 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.432 3.247 11.448 1.00 0.00 H new ATOM 839 N ARG A 49 7.267 1.242 10.419 1.00 0.00 N ATOM 840 CA ARG A 49 8.136 0.959 9.283 1.00 0.00 C ATOM 841 C ARG A 49 8.685 -0.462 9.374 1.00 0.00 C ATOM 842 O ARG A 49 8.847 -1.144 8.363 1.00 0.00 O ATOM 843 CB ARG A 49 9.291 1.966 9.254 1.00 0.00 C ATOM 844 CG ARG A 49 9.914 2.017 7.849 1.00 0.00 C ATOM 845 CD ARG A 49 10.608 3.370 7.632 1.00 0.00 C ATOM 846 NE ARG A 49 11.884 3.179 6.948 1.00 0.00 N ATOM 847 CZ ARG A 49 11.951 2.576 5.764 1.00 0.00 C ATOM 848 NH1 ARG A 49 10.861 2.147 5.187 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.105 2.416 5.177 1.00 0.00 N ATOM 0 H ARG A 49 7.687 1.826 11.142 1.00 0.00 H new ATOM 0 HA ARG A 49 7.556 1.049 8.364 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.929 2.955 9.535 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.048 1.684 9.986 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.634 1.207 7.731 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.142 1.870 7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.966 4.026 7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.771 3.861 8.591 1.00 0.00 H new ATOM 0 HE ARG A 49 12.741 3.515 7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.958 2.274 5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.913 1.685 4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.957 2.753 5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.156 1.954 4.269 1.00 0.00 H new ATOM 863 N ASN A 50 8.977 -0.893 10.595 1.00 0.00 N ATOM 864 CA ASN A 50 9.518 -2.228 10.821 1.00 0.00 C ATOM 865 C ASN A 50 8.684 -3.294 10.114 1.00 0.00 C ATOM 866 O ASN A 50 9.219 -4.181 9.450 1.00 0.00 O ATOM 867 CB ASN A 50 9.526 -2.527 12.323 1.00 0.00 C ATOM 868 CG ASN A 50 10.265 -3.834 12.588 1.00 0.00 C ATOM 869 OD1 ASN A 50 10.238 -4.744 11.757 1.00 0.00 O ATOM 870 ND2 ASN A 50 10.927 -3.985 13.702 1.00 0.00 N ATOM 0 H ASN A 50 8.849 -0.339 11.442 1.00 0.00 H new ATOM 0 HA ASN A 50 10.531 -2.253 10.418 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.007 -1.711 12.862 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.504 -2.595 12.694 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.423 -4.857 13.886 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.948 -3.231 14.389 1.00 0.00 H new ATOM 877 N SER A 51 7.367 -3.209 10.302 1.00 0.00 N ATOM 878 CA SER A 51 6.428 -4.174 9.729 1.00 0.00 C ATOM 879 C SER A 51 5.931 -3.768 8.340 1.00 0.00 C ATOM 880 O SER A 51 5.807 -4.611 7.449 1.00 0.00 O ATOM 881 CB SER A 51 5.228 -4.307 10.671 1.00 0.00 C ATOM 882 OG SER A 51 5.306 -5.549 11.357 1.00 0.00 O ATOM 0 H SER A 51 6.923 -2.474 10.852 1.00 0.00 H new ATOM 0 HA SER A 51 6.956 -5.121 9.617 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.219 -3.484 11.385 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.298 -4.249 10.105 1.00 0.00 H new ATOM 0 HG SER A 51 4.540 -5.637 11.962 1.00 0.00 H new ATOM 888 N LEU A 52 5.624 -2.490 8.155 1.00 0.00 N ATOM 889 CA LEU A 52 5.119 -2.035 6.864 1.00 0.00 C ATOM 890 C LEU A 52 6.031 -2.499 5.735 1.00 0.00 C ATOM 891 O LEU A 52 5.599 -3.231 4.846 1.00 0.00 O ATOM 892 CB LEU A 52 4.985 -0.507 6.840 1.00 0.00 C ATOM 893 CG LEU A 52 3.666 -0.090 7.510 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.643 1.430 7.692 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.474 -0.515 6.638 1.00 0.00 C ATOM 0 H LEU A 52 5.713 -1.763 8.865 1.00 0.00 H new ATOM 0 HA LEU A 52 4.132 -2.472 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.828 -0.051 7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.011 -0.146 5.812 1.00 0.00 H new ATOM 0 HG LEU A 52 3.592 -0.579 8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.708 1.725 8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.481 1.734 8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.724 1.914 6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.544 -0.215 7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.547 -0.034 5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.484 -1.598 6.511 1.00 0.00 H new ATOM 907 N ASN A 53 7.289 -2.074 5.761 1.00 0.00 N ATOM 908 CA ASN A 53 8.219 -2.467 4.712 1.00 0.00 C ATOM 909 C ASN A 53 8.494 -3.968 4.766 1.00 0.00 C ATOM 910 O ASN A 53 9.027 -4.539 3.814 1.00 0.00 O ATOM 911 CB ASN A 53 9.524 -1.681 4.833 1.00 0.00 C ATOM 912 CG ASN A 53 10.339 -2.194 6.015 1.00 0.00 C ATOM 913 OD1 ASN A 53 9.820 -2.928 6.855 1.00 0.00 O ATOM 914 ND2 ASN A 53 11.593 -1.849 6.131 1.00 0.00 N ATOM 0 H ASN A 53 7.682 -1.469 6.482 1.00 0.00 H new ATOM 0 HA ASN A 53 7.763 -2.238 3.749 1.00 0.00 H new ATOM 0 HB2 ASN A 53 10.102 -1.778 3.914 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.308 -0.621 4.964 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.144 -2.188 6.919 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.021 -1.240 5.433 1.00 0.00 H new ATOM 921 N ASP A 54 8.111 -4.613 5.866 1.00 0.00 N ATOM 922 CA ASP A 54 8.313 -6.053 5.987 1.00 0.00 C ATOM 923 C ASP A 54 7.354 -6.777 5.053 1.00 0.00 C ATOM 924 O ASP A 54 7.630 -7.881 4.584 1.00 0.00 O ATOM 925 CB ASP A 54 8.063 -6.512 7.426 1.00 0.00 C ATOM 926 CG ASP A 54 8.659 -7.899 7.641 1.00 0.00 C ATOM 927 OD1 ASP A 54 8.858 -8.266 8.787 1.00 0.00 O ATOM 928 OD2 ASP A 54 8.908 -8.575 6.655 1.00 0.00 O ATOM 0 H ASP A 54 7.668 -4.171 6.671 1.00 0.00 H new ATOM 0 HA ASP A 54 9.343 -6.287 5.718 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.508 -5.804 8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.992 -6.531 7.630 1.00 0.00 H new ATOM 933 N ASN A 55 6.221 -6.131 4.794 1.00 0.00 N ATOM 934 CA ASN A 55 5.203 -6.697 3.917 1.00 0.00 C ATOM 935 C ASN A 55 4.173 -5.632 3.540 1.00 0.00 C ATOM 936 O ASN A 55 3.251 -5.352 4.306 1.00 0.00 O ATOM 937 CB ASN A 55 4.502 -7.861 4.618 1.00 0.00 C ATOM 938 CG ASN A 55 3.620 -8.614 3.629 1.00 0.00 C ATOM 939 OD1 ASN A 55 3.830 -8.528 2.419 1.00 0.00 O ATOM 940 ND2 ASN A 55 2.639 -9.350 4.072 1.00 0.00 N ATOM 0 H ASN A 55 5.985 -5.216 5.179 1.00 0.00 H new ATOM 0 HA ASN A 55 5.687 -7.058 3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.242 -8.537 5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.898 -7.487 5.445 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.044 -9.856 3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.467 -9.420 5.075 1.00 0.00 H new ATOM 947 N SER A 56 4.339 -5.042 2.358 1.00 0.00 N ATOM 948 CA SER A 56 3.417 -4.008 1.888 1.00 0.00 C ATOM 949 C SER A 56 2.997 -4.280 0.447 1.00 0.00 C ATOM 950 O SER A 56 3.346 -3.533 -0.467 1.00 0.00 O ATOM 951 CB SER A 56 4.080 -2.632 1.974 1.00 0.00 C ATOM 952 OG SER A 56 4.961 -2.463 0.872 1.00 0.00 O ATOM 0 H SER A 56 5.097 -5.259 1.712 1.00 0.00 H new ATOM 0 HA SER A 56 2.532 -4.024 2.525 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.321 -1.850 1.970 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.630 -2.539 2.911 1.00 0.00 H new ATOM 0 HG SER A 56 4.440 -2.297 0.059 1.00 0.00 H new ATOM 958 N GLU A 57 2.245 -5.358 0.255 1.00 0.00 N ATOM 959 CA GLU A 57 1.778 -5.731 -1.075 1.00 0.00 C ATOM 960 C GLU A 57 0.708 -4.763 -1.563 1.00 0.00 C ATOM 961 O GLU A 57 -0.295 -5.178 -2.141 1.00 0.00 O ATOM 962 CB GLU A 57 1.197 -7.148 -1.038 1.00 0.00 C ATOM 963 CG GLU A 57 2.064 -8.032 -0.137 1.00 0.00 C ATOM 964 CD GLU A 57 1.757 -9.503 -0.401 1.00 0.00 C ATOM 965 OE1 GLU A 57 0.665 -9.785 -0.868 1.00 0.00 O ATOM 966 OE2 GLU A 57 2.617 -10.324 -0.133 1.00 0.00 O ATOM 0 H GLU A 57 1.947 -5.987 1.001 1.00 0.00 H new ATOM 0 HA GLU A 57 2.625 -5.694 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.173 -7.123 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.159 -7.563 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.119 -7.833 -0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.876 -7.795 0.910 1.00 0.00 H new ATOM 973 N ILE A 58 0.915 -3.473 -1.321 1.00 0.00 N ATOM 974 CA ILE A 58 -0.063 -2.477 -1.739 1.00 0.00 C ATOM 975 C ILE A 58 -0.189 -2.436 -3.263 1.00 0.00 C ATOM 976 O ILE A 58 -1.057 -1.749 -3.800 1.00 0.00 O ATOM 977 CB ILE A 58 0.308 -1.097 -1.190 1.00 0.00 C ATOM 978 CG1 ILE A 58 0.357 -1.168 0.340 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.750 -0.073 -1.623 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.850 0.165 0.908 1.00 0.00 C ATOM 0 H ILE A 58 1.736 -3.098 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.032 -2.762 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 58 1.281 -0.794 -1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.633 -1.397 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.020 -1.974 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.486 0.910 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.792 -0.032 -2.711 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.724 -0.369 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.882 0.107 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.849 0.376 0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.170 0.962 0.607 1.00 0.00 H new ATOM 992 N ILE A 59 0.664 -3.188 -3.956 1.00 0.00 N ATOM 993 CA ILE A 59 0.614 -3.239 -5.420 1.00 0.00 C ATOM 994 C ILE A 59 -0.306 -4.373 -5.882 1.00 0.00 C ATOM 995 O ILE A 59 -0.625 -4.490 -7.062 1.00 0.00 O ATOM 996 CB ILE A 59 2.023 -3.443 -5.987 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.934 -3.786 -7.478 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.714 -4.584 -5.239 1.00 0.00 C ATOM 999 CD1 ILE A 59 3.299 -3.574 -8.135 1.00 0.00 C ATOM 0 H ILE A 59 1.392 -3.766 -3.535 1.00 0.00 H new ATOM 0 HA ILE A 59 0.216 -2.294 -5.789 1.00 0.00 H new ATOM 0 HB ILE A 59 2.599 -2.526 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.614 -4.820 -7.605 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.185 -3.159 -7.962 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.716 -4.729 -5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.781 -4.336 -4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.137 -5.501 -5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.234 -3.818 -9.195 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.600 -2.533 -8.020 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.036 -4.220 -7.658 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.731 -5.192 -4.928 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.628 -6.317 -5.198 1.00 0.00 C ATOM 1013 C HIS A 60 -3.085 -5.863 -5.181 1.00 0.00 C ATOM 1014 O HIS A 60 -3.991 -6.637 -5.489 1.00 0.00 O ATOM 1015 CB HIS A 60 -1.366 -7.434 -4.180 1.00 0.00 C ATOM 1016 CG HIS A 60 -2.335 -7.387 -3.033 1.00 0.00 C ATOM 1017 ND1 HIS A 60 -2.009 -6.796 -1.825 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -3.602 -7.892 -2.877 1.00 0.00 C ATOM 1019 CE1 HIS A 60 -3.054 -6.960 -0.997 1.00 0.00 C ATOM 1020 NE2 HIS A 60 -4.055 -7.621 -1.588 1.00 0.00 N ATOM 0 H HIS A 60 -0.467 -5.099 -3.947 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.429 -6.709 -6.195 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.438 -8.402 -4.677 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.348 -7.346 -3.799 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -1.134 -6.322 -1.603 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.161 -8.418 -3.636 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.082 -6.602 0.021 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.295 -4.591 -4.881 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.640 -4.005 -4.895 1.00 0.00 C ATOM 1031 C LEU A 61 -4.590 -2.689 -5.663 1.00 0.00 C ATOM 1032 O LEU A 61 -5.442 -2.413 -6.507 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.175 -3.756 -3.474 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.381 -4.564 -2.451 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.117 -3.794 -2.074 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.236 -4.789 -1.197 1.00 0.00 C ATOM 0 H LEU A 61 -2.555 -3.938 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.317 -4.709 -5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.110 -2.694 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.229 -4.030 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.109 -5.529 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.546 -4.367 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.509 -3.634 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.392 -2.831 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.667 -5.366 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.509 -3.826 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.140 -5.335 -1.466 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.578 -1.885 -5.359 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.403 -0.597 -6.017 1.00 0.00 C ATOM 1050 C ALA A 62 -3.236 -0.771 -7.525 1.00 0.00 C ATOM 1051 O ALA A 62 -3.472 0.159 -8.295 1.00 0.00 O ATOM 1052 CB ALA A 62 -2.166 0.108 -5.456 1.00 0.00 C ATOM 0 H ALA A 62 -2.867 -2.103 -4.661 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.293 0.003 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.040 1.071 -5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.291 0.265 -4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.285 -0.509 -5.632 1.00 0.00 H new ATOM 1058 N GLU A 63 -2.803 -1.959 -7.937 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.578 -2.233 -9.355 1.00 0.00 C ATOM 1060 C GLU A 63 -3.876 -2.149 -10.158 1.00 0.00 C ATOM 1061 O GLU A 63 -4.055 -2.882 -11.130 1.00 0.00 O ATOM 1062 CB GLU A 63 -1.971 -3.624 -9.522 1.00 0.00 C ATOM 1063 CG GLU A 63 -2.812 -4.633 -8.736 1.00 0.00 C ATOM 1064 CD GLU A 63 -2.240 -6.036 -8.906 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -1.055 -6.204 -8.673 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -2.996 -6.924 -9.264 1.00 0.00 O ATOM 0 H GLU A 63 -2.602 -2.743 -7.316 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.892 -1.476 -9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.943 -3.898 -10.577 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.942 -3.631 -9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.826 -4.363 -7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.844 -4.608 -9.085 1.00 0.00 H new ATOM 1073 N SER A 64 -4.773 -1.258 -9.751 1.00 0.00 N ATOM 1074 CA SER A 64 -6.048 -1.094 -10.449 1.00 0.00 C ATOM 1075 C SER A 64 -6.260 0.363 -10.846 1.00 0.00 C ATOM 1076 O SER A 64 -6.322 0.692 -12.031 1.00 0.00 O ATOM 1077 CB SER A 64 -7.197 -1.552 -9.551 1.00 0.00 C ATOM 1078 OG SER A 64 -7.237 -0.735 -8.388 1.00 0.00 O ATOM 0 H SER A 64 -4.645 -0.642 -8.948 1.00 0.00 H new ATOM 0 HA SER A 64 -6.027 -1.704 -11.352 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.143 -1.486 -10.089 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.061 -2.597 -9.271 1.00 0.00 H new ATOM 0 HG SER A 64 -6.686 -1.139 -7.685 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.373 1.232 -9.848 1.00 0.00 N ATOM 1085 CA LEU A 65 -6.583 2.654 -10.100 1.00 0.00 C ATOM 1086 C LEU A 65 -5.679 3.142 -11.231 1.00 0.00 C ATOM 1087 O LEU A 65 -6.029 4.072 -11.959 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.300 3.455 -8.818 1.00 0.00 C ATOM 1089 CG LEU A 65 -7.492 4.362 -8.480 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -7.793 5.290 -9.667 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -8.725 3.497 -8.156 1.00 0.00 C ATOM 0 H LEU A 65 -6.323 0.979 -8.861 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.620 2.805 -10.400 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.108 2.773 -7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.402 4.058 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.247 4.972 -7.610 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.640 5.931 -9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.919 5.907 -9.877 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.034 4.691 -10.545 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.570 4.143 -7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.974 2.880 -9.019 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.505 2.855 -7.303 1.00 0.00 H new ATOM 1103 N TYR A 66 -4.517 2.512 -11.373 1.00 0.00 N ATOM 1104 CA TYR A 66 -3.570 2.891 -12.419 1.00 0.00 C ATOM 1105 C TYR A 66 -3.318 1.720 -13.362 1.00 0.00 C ATOM 1106 O TYR A 66 -3.652 0.576 -13.050 1.00 0.00 O ATOM 1107 CB TYR A 66 -2.244 3.328 -11.792 1.00 0.00 C ATOM 1108 CG TYR A 66 -2.470 4.507 -10.876 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -2.234 5.808 -11.338 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -2.908 4.300 -9.562 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -2.435 6.901 -10.487 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -3.111 5.395 -8.711 1.00 0.00 C ATOM 1113 CZ TYR A 66 -2.873 6.695 -9.174 1.00 0.00 C ATOM 1114 OH TYR A 66 -3.071 7.773 -8.334 1.00 0.00 O ATOM 0 H TYR A 66 -4.208 1.741 -10.781 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.998 3.719 -12.985 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.807 2.501 -11.233 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.533 3.595 -12.574 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.897 5.968 -12.351 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.089 3.297 -9.205 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.252 7.904 -10.844 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.451 5.236 -7.698 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.282 7.894 -7.766 1.00 0.00 H new ATOM 1124 N GLU A 67 -2.726 2.011 -14.515 1.00 0.00 N ATOM 1125 CA GLU A 67 -2.434 0.972 -15.495 1.00 0.00 C ATOM 1126 C GLU A 67 -1.678 -0.180 -14.839 1.00 0.00 C ATOM 1127 O GLU A 67 -1.695 -1.307 -15.335 1.00 0.00 O ATOM 1128 CB GLU A 67 -1.596 1.551 -16.637 1.00 0.00 C ATOM 1129 CG GLU A 67 -2.381 2.667 -17.328 1.00 0.00 C ATOM 1130 CD GLU A 67 -1.535 3.296 -18.430 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -1.112 2.568 -19.313 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -1.320 4.495 -18.373 1.00 0.00 O ATOM 0 H GLU A 67 -2.441 2.950 -14.793 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.377 0.596 -15.893 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.654 1.940 -16.251 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.348 0.768 -17.354 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.303 2.267 -17.750 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.667 3.426 -16.600 1.00 0.00 H new ATOM 1139 N GLY A 68 -1.021 0.110 -13.721 1.00 0.00 N ATOM 1140 CA GLY A 68 -0.266 -0.911 -13.001 1.00 0.00 C ATOM 1141 C GLY A 68 0.888 -0.290 -12.221 1.00 0.00 C ATOM 1142 O GLY A 68 1.991 -0.133 -12.746 1.00 0.00 O ATOM 0 H GLY A 68 -0.995 1.037 -13.295 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.927 -1.443 -12.317 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.121 -1.647 -13.706 1.00 0.00 H new ATOM 1146 N ILE A 69 0.629 0.058 -10.965 1.00 0.00 N ATOM 1147 CA ILE A 69 1.658 0.657 -10.121 1.00 0.00 C ATOM 1148 C ILE A 69 2.936 -0.172 -10.171 1.00 0.00 C ATOM 1149 O ILE A 69 2.886 -1.399 -10.257 1.00 0.00 O ATOM 1150 CB ILE A 69 1.165 0.744 -8.673 1.00 0.00 C ATOM 1151 CG1 ILE A 69 -0.102 1.613 -8.606 1.00 0.00 C ATOM 1152 CG2 ILE A 69 2.261 1.352 -7.793 1.00 0.00 C ATOM 1153 CD1 ILE A 69 0.278 3.093 -8.480 1.00 0.00 C ATOM 0 H ILE A 69 -0.277 -0.063 -10.511 1.00 0.00 H new ATOM 0 HA ILE A 69 1.868 1.659 -10.494 1.00 0.00 H new ATOM 0 HB ILE A 69 0.929 -0.257 -8.312 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.705 1.460 -9.501 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.713 1.313 -7.755 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.909 1.413 -6.763 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.151 0.725 -7.835 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.504 2.352 -8.153 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.627 3.698 -8.433 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.862 3.243 -7.572 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.870 3.392 -9.345 1.00 0.00 H new ATOM 1165 N LYS A 70 4.081 0.501 -10.113 1.00 0.00 N ATOM 1166 CA LYS A 70 5.366 -0.190 -10.148 1.00 0.00 C ATOM 1167 C LYS A 70 5.715 -0.734 -8.767 1.00 0.00 C ATOM 1168 O LYS A 70 6.228 -1.846 -8.640 1.00 0.00 O ATOM 1169 CB LYS A 70 6.465 0.776 -10.611 1.00 0.00 C ATOM 1170 CG LYS A 70 7.587 -0.002 -11.310 1.00 0.00 C ATOM 1171 CD LYS A 70 7.261 -0.149 -12.800 1.00 0.00 C ATOM 1172 CE LYS A 70 8.380 -0.926 -13.497 1.00 0.00 C ATOM 1173 NZ LYS A 70 8.228 -2.381 -13.213 1.00 0.00 N ATOM 0 H LYS A 70 4.146 1.516 -10.042 1.00 0.00 H new ATOM 0 HA LYS A 70 5.294 -1.022 -10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.046 1.517 -11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.866 1.320 -9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.536 0.519 -11.185 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.700 -0.985 -10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.311 -0.669 -12.925 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.149 0.834 -13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.345 -0.749 -14.572 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.352 -0.576 -13.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.958 -2.913 -13.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.333 -2.548 -12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.287 -2.698 -13.521 1.00 0.00 H new ATOM 1187 N SER A 71 5.430 0.056 -7.735 1.00 0.00 N ATOM 1188 CA SER A 71 5.716 -0.356 -6.365 1.00 0.00 C ATOM 1189 C SER A 71 5.197 0.678 -5.370 1.00 0.00 C ATOM 1190 O SER A 71 4.666 1.719 -5.757 1.00 0.00 O ATOM 1191 CB SER A 71 7.225 -0.536 -6.174 1.00 0.00 C ATOM 1192 OG SER A 71 7.458 -1.420 -5.086 1.00 0.00 O ATOM 0 H SER A 71 5.004 0.979 -7.821 1.00 0.00 H new ATOM 0 HA SER A 71 5.211 -1.304 -6.182 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.673 -0.935 -7.084 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.697 0.428 -5.982 1.00 0.00 H new ATOM 0 HG SER A 71 8.423 -1.539 -4.962 1.00 0.00 H new ATOM 1198 N VAL A 72 5.372 0.382 -4.086 1.00 0.00 N ATOM 1199 CA VAL A 72 4.937 1.285 -3.021 1.00 0.00 C ATOM 1200 C VAL A 72 5.865 1.142 -1.821 1.00 0.00 C ATOM 1201 O VAL A 72 6.402 0.063 -1.573 1.00 0.00 O ATOM 1202 CB VAL A 72 3.501 0.961 -2.601 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.939 2.114 -1.768 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.631 0.765 -3.846 1.00 0.00 C ATOM 0 H VAL A 72 5.812 -0.477 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 72 4.972 2.310 -3.391 1.00 0.00 H new ATOM 0 HB VAL A 72 3.498 0.046 -2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.917 1.883 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.554 2.254 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.946 3.028 -2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.610 0.534 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.636 1.678 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.027 -0.058 -4.441 1.00 0.00 H new ATOM 1214 N ASN A 73 6.061 2.229 -1.078 1.00 0.00 N ATOM 1215 CA ASN A 73 6.941 2.178 0.084 1.00 0.00 C ATOM 1216 C ASN A 73 6.886 3.464 0.906 1.00 0.00 C ATOM 1217 O ASN A 73 6.473 4.521 0.425 1.00 0.00 O ATOM 1218 CB ASN A 73 8.382 1.932 -0.375 1.00 0.00 C ATOM 1219 CG ASN A 73 9.212 1.376 0.777 1.00 0.00 C ATOM 1220 OD1 ASN A 73 10.152 2.024 1.236 1.00 0.00 O ATOM 1221 ND2 ASN A 73 8.919 0.205 1.274 1.00 0.00 N ATOM 0 H ASN A 73 5.632 3.137 -1.255 1.00 0.00 H new ATOM 0 HA ASN A 73 6.598 1.362 0.720 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.391 1.232 -1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.821 2.863 -0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.470 -0.174 2.044 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.139 -0.331 0.892 1.00 0.00 H new ATOM 1228 N PHE A 74 7.327 3.347 2.156 1.00 0.00 N ATOM 1229 CA PHE A 74 7.361 4.476 3.082 1.00 0.00 C ATOM 1230 C PHE A 74 8.759 4.583 3.685 1.00 0.00 C ATOM 1231 O PHE A 74 9.432 3.570 3.877 1.00 0.00 O ATOM 1232 CB PHE A 74 6.317 4.285 4.199 1.00 0.00 C ATOM 1233 CG PHE A 74 5.373 3.156 3.845 1.00 0.00 C ATOM 1234 CD1 PHE A 74 5.866 1.852 3.697 1.00 0.00 C ATOM 1235 CD2 PHE A 74 4.006 3.409 3.667 1.00 0.00 C ATOM 1236 CE1 PHE A 74 4.994 0.806 3.370 1.00 0.00 C ATOM 1237 CE2 PHE A 74 3.136 2.362 3.343 1.00 0.00 C ATOM 1238 CZ PHE A 74 3.630 1.061 3.192 1.00 0.00 C ATOM 0 H PHE A 74 7.669 2.472 2.554 1.00 0.00 H new ATOM 0 HA PHE A 74 7.122 5.393 2.543 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.818 4.067 5.142 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.755 5.208 4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.919 1.654 3.835 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.624 4.413 3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.375 -0.198 3.255 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.082 2.558 3.209 1.00 0.00 H new ATOM 0 HZ PHE A 74 2.958 0.254 2.938 1.00 0.00 H new ATOM 1248 N VAL A 75 9.203 5.803 3.970 1.00 0.00 N ATOM 1249 CA VAL A 75 10.538 5.995 4.535 1.00 0.00 C ATOM 1250 C VAL A 75 10.566 7.176 5.500 1.00 0.00 C ATOM 1251 O VAL A 75 9.538 7.566 6.049 1.00 0.00 O ATOM 1252 CB VAL A 75 11.543 6.230 3.408 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.467 5.078 2.405 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.213 7.546 2.699 1.00 0.00 C ATOM 0 H VAL A 75 8.671 6.661 3.823 1.00 0.00 H new ATOM 0 HA VAL A 75 10.806 5.096 5.090 1.00 0.00 H new ATOM 0 HB VAL A 75 12.549 6.282 3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.184 5.247 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.701 4.140 2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.461 5.024 1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.929 7.715 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.207 7.493 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.268 8.368 3.413 1.00 0.00 H new ATOM 1264 N ASN A 76 11.759 7.735 5.710 1.00 0.00 N ATOM 1265 CA ASN A 76 11.919 8.867 6.620 1.00 0.00 C ATOM 1266 C ASN A 76 12.129 10.166 5.846 1.00 0.00 C ATOM 1267 O ASN A 76 12.465 10.151 4.661 1.00 0.00 O ATOM 1268 CB ASN A 76 13.112 8.625 7.549 1.00 0.00 C ATOM 1269 CG ASN A 76 13.223 7.141 7.878 1.00 0.00 C ATOM 1270 OD1 ASN A 76 12.139 6.422 7.983 1.00 0.00 O flip ATOM 1271 ND2 ASN A 76 14.327 6.622 8.044 1.00 0.00 N flip ATOM 0 H ASN A 76 12.622 7.424 5.265 1.00 0.00 H new ATOM 0 HA ASN A 76 11.008 8.959 7.211 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.030 8.970 7.073 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.992 9.201 8.466 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.173 7.186 7.961 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.396 5.628 8.264 1.00 0.00 H new ATOM 1278 N GLU A 77 11.912 11.287 6.528 1.00 0.00 N ATOM 1279 CA GLU A 77 12.059 12.604 5.914 1.00 0.00 C ATOM 1280 C GLU A 77 13.202 12.629 4.904 1.00 0.00 C ATOM 1281 O GLU A 77 12.973 12.737 3.699 1.00 0.00 O ATOM 1282 CB GLU A 77 12.314 13.657 6.998 1.00 0.00 C ATOM 1283 CG GLU A 77 11.447 13.359 8.224 1.00 0.00 C ATOM 1284 CD GLU A 77 9.994 13.166 7.804 1.00 0.00 C ATOM 1285 OE1 GLU A 77 9.469 14.044 7.138 1.00 0.00 O ATOM 1286 OE2 GLU A 77 9.426 12.146 8.155 1.00 0.00 O ATOM 0 H GLU A 77 11.633 11.310 7.509 1.00 0.00 H new ATOM 0 HA GLU A 77 11.133 12.829 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.368 13.657 7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.086 14.651 6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.810 12.463 8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.521 14.178 8.939 1.00 0.00 H new ATOM 1293 N GLN A 78 14.432 12.546 5.399 1.00 0.00 N ATOM 1294 CA GLN A 78 15.599 12.581 4.525 1.00 0.00 C ATOM 1295 C GLN A 78 15.449 11.597 3.372 1.00 0.00 C ATOM 1296 O GLN A 78 15.652 11.951 2.212 1.00 0.00 O ATOM 1297 CB GLN A 78 16.862 12.244 5.321 1.00 0.00 C ATOM 1298 CG GLN A 78 17.093 13.311 6.393 1.00 0.00 C ATOM 1299 CD GLN A 78 18.389 13.021 7.143 1.00 0.00 C ATOM 1300 OE1 GLN A 78 18.533 11.958 7.747 1.00 0.00 O ATOM 1301 NE2 GLN A 78 19.347 13.908 7.139 1.00 0.00 N ATOM 0 H GLN A 78 14.646 12.455 6.392 1.00 0.00 H new ATOM 0 HA GLN A 78 15.682 13.588 4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.760 11.263 5.786 1.00 0.00 H new ATOM 0 HB3 GLN A 78 17.722 12.193 4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.142 14.297 5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.255 13.326 7.090 1.00 0.00 H new ATOM 0 HE21 GLN A 78 19.225 14.788 6.638 1.00 0.00 H new ATOM 0 HE22 GLN A 78 20.217 13.721 7.637 1.00 0.00 H new ATOM 1310 N ASP A 79 15.102 10.359 3.694 1.00 0.00 N ATOM 1311 CA ASP A 79 14.939 9.341 2.664 1.00 0.00 C ATOM 1312 C ASP A 79 13.969 9.819 1.586 1.00 0.00 C ATOM 1313 O ASP A 79 14.355 9.992 0.429 1.00 0.00 O ATOM 1314 CB ASP A 79 14.431 8.039 3.285 1.00 0.00 C ATOM 1315 CG ASP A 79 15.573 7.316 3.992 1.00 0.00 C ATOM 1316 OD1 ASP A 79 15.818 6.168 3.655 1.00 0.00 O ATOM 1317 OD2 ASP A 79 16.185 7.919 4.856 1.00 0.00 O ATOM 0 H ASP A 79 14.930 10.037 4.646 1.00 0.00 H new ATOM 0 HA ASP A 79 15.910 9.159 2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.631 8.253 3.994 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.008 7.398 2.511 1.00 0.00 H new ATOM 1322 N PHE A 80 12.709 10.039 1.963 1.00 0.00 N ATOM 1323 CA PHE A 80 11.710 10.504 1.007 1.00 0.00 C ATOM 1324 C PHE A 80 12.280 11.638 0.160 1.00 0.00 C ATOM 1325 O PHE A 80 12.114 11.659 -1.060 1.00 0.00 O ATOM 1326 CB PHE A 80 10.461 10.985 1.759 1.00 0.00 C ATOM 1327 CG PHE A 80 9.598 11.836 0.851 1.00 0.00 C ATOM 1328 CD1 PHE A 80 9.136 13.083 1.293 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.255 11.379 -0.428 1.00 0.00 C ATOM 1330 CE1 PHE A 80 8.335 13.870 0.458 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.454 12.167 -1.263 1.00 0.00 C ATOM 1332 CZ PHE A 80 7.994 13.412 -0.820 1.00 0.00 C ATOM 0 H PHE A 80 12.361 9.904 2.912 1.00 0.00 H new ATOM 0 HA PHE A 80 11.437 9.680 0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.890 10.128 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.755 11.560 2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.398 13.437 2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.609 10.418 -0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.980 14.831 0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.191 11.814 -2.249 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.376 14.020 -1.464 1.00 0.00 H new ATOM 1342 N PHE A 81 12.962 12.575 0.814 1.00 0.00 N ATOM 1343 CA PHE A 81 13.560 13.700 0.107 1.00 0.00 C ATOM 1344 C PHE A 81 14.505 13.191 -0.976 1.00 0.00 C ATOM 1345 O PHE A 81 14.243 13.349 -2.167 1.00 0.00 O ATOM 1346 CB PHE A 81 14.334 14.585 1.088 1.00 0.00 C ATOM 1347 CG PHE A 81 14.752 15.861 0.393 1.00 0.00 C ATOM 1348 CD1 PHE A 81 16.104 16.097 0.112 1.00 0.00 C ATOM 1349 CD2 PHE A 81 13.787 16.808 0.029 1.00 0.00 C ATOM 1350 CE1 PHE A 81 16.490 17.279 -0.531 1.00 0.00 C ATOM 1351 CE2 PHE A 81 14.174 17.990 -0.614 1.00 0.00 C ATOM 1352 CZ PHE A 81 15.525 18.225 -0.894 1.00 0.00 C ATOM 0 H PHE A 81 13.112 12.577 1.823 1.00 0.00 H new ATOM 0 HA PHE A 81 12.766 14.287 -0.355 1.00 0.00 H new ATOM 0 HB2 PHE A 81 13.713 14.816 1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.212 14.055 1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 81 16.849 15.367 0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 81 12.744 16.627 0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 81 17.532 17.461 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 81 13.430 18.721 -0.894 1.00 0.00 H new ATOM 0 HZ PHE A 81 15.823 19.137 -1.390 1.00 0.00 H new ATOM 1362 N PHE A 82 15.605 12.578 -0.546 1.00 0.00 N ATOM 1363 CA PHE A 82 16.592 12.040 -1.478 1.00 0.00 C ATOM 1364 C PHE A 82 15.913 11.468 -2.718 1.00 0.00 C ATOM 1365 O PHE A 82 16.493 11.453 -3.804 1.00 0.00 O ATOM 1366 CB PHE A 82 17.404 10.938 -0.788 1.00 0.00 C ATOM 1367 CG PHE A 82 18.701 10.725 -1.533 1.00 0.00 C ATOM 1368 CD1 PHE A 82 19.747 11.645 -1.393 1.00 0.00 C ATOM 1369 CD2 PHE A 82 18.857 9.608 -2.363 1.00 0.00 C ATOM 1370 CE1 PHE A 82 20.948 11.448 -2.084 1.00 0.00 C ATOM 1371 CE2 PHE A 82 20.059 9.411 -3.055 1.00 0.00 C ATOM 1372 CZ PHE A 82 21.104 10.332 -2.915 1.00 0.00 C ATOM 0 H PHE A 82 15.835 12.442 0.438 1.00 0.00 H new ATOM 0 HA PHE A 82 17.253 12.851 -1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.608 11.215 0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.831 10.011 -0.762 1.00 0.00 H new ATOM 0 HD1 PHE A 82 19.627 12.506 -0.752 1.00 0.00 H new ATOM 0 HD2 PHE A 82 18.050 8.898 -2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 82 21.755 12.157 -1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 82 20.179 8.550 -3.696 1.00 0.00 H new ATOM 0 HZ PHE A 82 22.031 10.182 -3.448 1.00 0.00 H new ATOM 1382 N ASN A 83 14.684 10.995 -2.546 1.00 0.00 N ATOM 1383 CA ASN A 83 13.935 10.418 -3.658 1.00 0.00 C ATOM 1384 C ASN A 83 13.408 11.513 -4.583 1.00 0.00 C ATOM 1385 O ASN A 83 13.610 11.463 -5.797 1.00 0.00 O ATOM 1386 CB ASN A 83 12.765 9.587 -3.115 1.00 0.00 C ATOM 1387 CG ASN A 83 12.552 8.345 -3.976 1.00 0.00 C ATOM 1388 OD1 ASN A 83 12.112 8.450 -5.121 1.00 0.00 O ATOM 1389 ND2 ASN A 83 12.840 7.169 -3.490 1.00 0.00 N ATOM 0 H ASN A 83 14.187 10.999 -1.655 1.00 0.00 H new ATOM 0 HA ASN A 83 14.604 9.776 -4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.966 9.293 -2.085 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.857 10.190 -3.103 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.701 6.334 -4.059 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.204 7.085 -2.541 1.00 0.00 H new ATOM 1396 N LEU A 84 12.728 12.499 -4.003 1.00 0.00 N ATOM 1397 CA LEU A 84 12.171 13.597 -4.790 1.00 0.00 C ATOM 1398 C LEU A 84 13.224 14.672 -5.044 1.00 0.00 C ATOM 1399 O LEU A 84 13.075 15.499 -5.942 1.00 0.00 O ATOM 1400 CB LEU A 84 10.972 14.209 -4.055 1.00 0.00 C ATOM 1401 CG LEU A 84 11.450 15.067 -2.869 1.00 0.00 C ATOM 1402 CD1 LEU A 84 11.467 16.548 -3.264 1.00 0.00 C ATOM 1403 CD2 LEU A 84 10.499 14.876 -1.683 1.00 0.00 C ATOM 0 H LEU A 84 12.550 12.561 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 84 11.844 13.200 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.389 14.821 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.314 13.417 -3.697 1.00 0.00 H new ATOM 0 HG LEU A 84 12.457 14.756 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.806 17.146 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 84 12.144 16.692 -4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.462 16.860 -3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.838 15.483 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.493 15.182 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.489 13.826 -1.390 1.00 0.00 H new ATOM 1415 N ALA A 85 14.280 14.659 -4.241 1.00 0.00 N ATOM 1416 CA ALA A 85 15.344 15.646 -4.385 1.00 0.00 C ATOM 1417 C ALA A 85 16.017 15.521 -5.750 1.00 0.00 C ATOM 1418 O ALA A 85 16.906 16.304 -6.086 1.00 0.00 O ATOM 1419 CB ALA A 85 16.385 15.456 -3.280 1.00 0.00 C ATOM 0 H ALA A 85 14.423 13.984 -3.490 1.00 0.00 H new ATOM 0 HA ALA A 85 14.903 16.640 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 85 17.176 16.197 -3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 85 15.910 15.580 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.812 14.455 -3.350 1.00 0.00 H new ATOM 1425 N LYS A 86 15.590 14.531 -6.529 1.00 0.00 N ATOM 1426 CA LYS A 86 16.162 14.311 -7.853 1.00 0.00 C ATOM 1427 C LYS A 86 15.331 15.013 -8.928 1.00 0.00 C ATOM 1428 O LYS A 86 15.623 16.151 -9.300 1.00 0.00 O ATOM 1429 CB LYS A 86 16.234 12.808 -8.146 1.00 0.00 C ATOM 1430 CG LYS A 86 17.151 12.557 -9.352 1.00 0.00 C ATOM 1431 CD LYS A 86 18.606 12.410 -8.884 1.00 0.00 C ATOM 1432 CE LYS A 86 18.877 10.957 -8.482 1.00 0.00 C ATOM 1433 NZ LYS A 86 18.910 10.102 -9.702 1.00 0.00 N ATOM 0 H LYS A 86 14.855 13.873 -6.269 1.00 0.00 H new ATOM 0 HA LYS A 86 17.168 14.731 -7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 86 16.612 12.276 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 86 15.236 12.419 -8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.836 11.655 -9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 86 17.069 13.382 -10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.286 12.709 -9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 86 18.795 13.072 -8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 86 19.826 10.887 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 86 18.102 10.607 -7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 19.485 9.255 -9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.942 9.815 -9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 19.326 10.638 -10.490 1.00 0.00 H new ATOM 1447 N LEU A 87 14.300 14.331 -9.424 1.00 0.00 N ATOM 1448 CA LEU A 87 13.433 14.895 -10.458 1.00 0.00 C ATOM 1449 C LEU A 87 14.224 15.179 -11.737 1.00 0.00 C ATOM 1450 O LEU A 87 13.684 15.092 -12.839 1.00 0.00 O ATOM 1451 CB LEU A 87 12.770 16.188 -9.951 1.00 0.00 C ATOM 1452 CG LEU A 87 11.359 15.885 -9.429 1.00 0.00 C ATOM 1453 CD1 LEU A 87 11.404 14.705 -8.447 1.00 0.00 C ATOM 1454 CD2 LEU A 87 10.811 17.125 -8.716 1.00 0.00 C ATOM 0 H LEU A 87 14.045 13.389 -9.128 1.00 0.00 H new ATOM 0 HA LEU A 87 12.658 14.164 -10.687 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.373 16.629 -9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.719 16.920 -10.757 1.00 0.00 H new ATOM 0 HG LEU A 87 10.712 15.624 -10.266 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.398 14.497 -8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.795 13.823 -8.955 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.051 14.956 -7.606 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.808 16.917 -8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.463 17.383 -7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.771 17.959 -9.416 1.00 0.00 H new ATOM 1466 N GLU A 88 15.503 15.514 -11.581 1.00 0.00 N ATOM 1467 CA GLU A 88 16.364 15.804 -12.728 1.00 0.00 C ATOM 1468 C GLU A 88 16.185 17.247 -13.193 1.00 0.00 C ATOM 1469 O GLU A 88 17.059 18.088 -12.984 1.00 0.00 O ATOM 1470 CB GLU A 88 16.053 14.839 -13.882 1.00 0.00 C ATOM 1471 CG GLU A 88 17.312 14.619 -14.726 1.00 0.00 C ATOM 1472 CD GLU A 88 17.876 15.960 -15.182 1.00 0.00 C ATOM 1473 OE1 GLU A 88 17.382 16.484 -16.168 1.00 0.00 O ATOM 1474 OE2 GLU A 88 18.793 16.445 -14.540 1.00 0.00 O ATOM 0 H GLU A 88 15.966 15.591 -10.675 1.00 0.00 H new ATOM 0 HA GLU A 88 17.400 15.668 -12.418 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.698 13.887 -13.487 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.254 15.245 -14.503 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.060 14.080 -14.145 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.075 14.001 -15.592 1.00 0.00 H new ATOM 1481 N GLU A 89 15.052 17.528 -13.832 1.00 0.00 N ATOM 1482 CA GLU A 89 14.777 18.875 -14.328 1.00 0.00 C ATOM 1483 C GLU A 89 13.926 19.659 -13.332 1.00 0.00 C ATOM 1484 O GLU A 89 13.338 20.684 -13.676 1.00 0.00 O ATOM 1485 CB GLU A 89 14.053 18.792 -15.677 1.00 0.00 C ATOM 1486 CG GLU A 89 14.303 20.072 -16.479 1.00 0.00 C ATOM 1487 CD GLU A 89 15.727 20.077 -17.024 1.00 0.00 C ATOM 1488 OE1 GLU A 89 15.921 19.594 -18.127 1.00 0.00 O ATOM 1489 OE2 GLU A 89 16.605 20.562 -16.328 1.00 0.00 O ATOM 0 H GLU A 89 14.315 16.848 -14.018 1.00 0.00 H new ATOM 0 HA GLU A 89 15.726 19.396 -14.454 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.406 17.926 -16.237 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.983 18.654 -15.518 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.590 20.141 -17.301 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.144 20.945 -15.845 1.00 0.00 H new ATOM 1496 N ASN A 90 13.862 19.172 -12.096 1.00 0.00 N ATOM 1497 CA ASN A 90 13.078 19.840 -11.063 1.00 0.00 C ATOM 1498 C ASN A 90 11.740 20.312 -11.625 1.00 0.00 C ATOM 1499 O ASN A 90 11.102 21.205 -11.068 1.00 0.00 O ATOM 1500 CB ASN A 90 13.853 21.040 -10.514 1.00 0.00 C ATOM 1501 CG ASN A 90 15.244 20.602 -10.070 1.00 0.00 C ATOM 1502 OD1 ASN A 90 15.421 19.480 -9.598 1.00 0.00 O ATOM 1503 ND2 ASN A 90 16.248 21.427 -10.195 1.00 0.00 N ATOM 0 H ASN A 90 14.339 18.325 -11.788 1.00 0.00 H new ATOM 0 HA ASN A 90 12.891 19.128 -10.259 1.00 0.00 H new ATOM 0 HB2 ASN A 90 13.933 21.813 -11.279 1.00 0.00 H new ATOM 0 HB3 ASN A 90 13.315 21.478 -9.673 1.00 0.00 H new ATOM 0 HD21 ASN A 90 17.182 21.142 -9.901 1.00 0.00 H new ATOM 0 HD22 ASN A 90 16.098 22.357 -10.587 1.00 0.00 H new ATOM 1510 N SER A 91 11.323 19.707 -12.733 1.00 0.00 N ATOM 1511 CA SER A 91 10.060 20.073 -13.367 1.00 0.00 C ATOM 1512 C SER A 91 9.477 18.887 -14.126 1.00 0.00 C ATOM 1513 O SER A 91 9.561 17.744 -13.674 1.00 0.00 O ATOM 1514 CB SER A 91 10.281 21.239 -14.329 1.00 0.00 C ATOM 1515 OG SER A 91 9.049 21.571 -14.955 1.00 0.00 O ATOM 0 H SER A 91 11.837 18.965 -13.208 1.00 0.00 H new ATOM 0 HA SER A 91 9.357 20.371 -12.589 1.00 0.00 H new ATOM 0 HB2 SER A 91 10.672 22.102 -13.789 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.023 20.970 -15.081 1.00 0.00 H new ATOM 0 HG SER A 91 9.187 22.320 -15.572 1.00 0.00 H new ATOM 1521 N ARG A 92 8.883 19.165 -15.283 1.00 0.00 N ATOM 1522 CA ARG A 92 8.286 18.113 -16.101 1.00 0.00 C ATOM 1523 C ARG A 92 9.334 17.484 -17.014 1.00 0.00 C ATOM 1524 O ARG A 92 9.870 18.142 -17.906 1.00 0.00 O ATOM 1525 CB ARG A 92 7.148 18.695 -16.948 1.00 0.00 C ATOM 1526 CG ARG A 92 5.841 18.673 -16.146 1.00 0.00 C ATOM 1527 CD ARG A 92 4.733 19.371 -16.943 1.00 0.00 C ATOM 1528 NE ARG A 92 3.440 18.761 -16.648 1.00 0.00 N ATOM 1529 CZ ARG A 92 3.051 17.646 -17.259 1.00 0.00 C ATOM 1530 NH1 ARG A 92 3.827 17.081 -18.143 1.00 0.00 N ATOM 1531 NH2 ARG A 92 1.891 17.118 -16.978 1.00 0.00 N ATOM 0 H ARG A 92 8.802 20.104 -15.674 1.00 0.00 H new ATOM 0 HA ARG A 92 7.890 17.343 -15.439 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.387 19.717 -17.243 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.033 18.117 -17.865 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.553 17.644 -15.930 1.00 0.00 H new ATOM 0 HG3 ARG A 92 5.983 19.173 -15.188 1.00 0.00 H new ATOM 0 HD2 ARG A 92 4.708 20.432 -16.693 1.00 0.00 H new ATOM 0 HD3 ARG A 92 4.942 19.299 -18.010 1.00 0.00 H new ATOM 0 HE ARG A 92 2.825 19.197 -15.962 1.00 0.00 H new ATOM 0 HH11 ARG A 92 4.732 17.495 -18.365 1.00 0.00 H new ATOM 0 HH12 ARG A 92 3.528 16.226 -18.611 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.282 17.561 -16.289 1.00 0.00 H new ATOM 0 HH22 ARG A 92 1.593 16.263 -17.447 1.00 0.00 H new ATOM 1545 N ASP A 93 9.619 16.204 -16.788 1.00 0.00 N ATOM 1546 CA ASP A 93 10.602 15.491 -17.599 1.00 0.00 C ATOM 1547 C ASP A 93 9.904 14.582 -18.606 1.00 0.00 C ATOM 1548 O ASP A 93 9.372 13.533 -18.243 1.00 0.00 O ATOM 1549 CB ASP A 93 11.512 14.652 -16.702 1.00 0.00 C ATOM 1550 CG ASP A 93 12.365 15.562 -15.825 1.00 0.00 C ATOM 1551 OD1 ASP A 93 13.519 15.765 -16.165 1.00 0.00 O ATOM 1552 OD2 ASP A 93 11.853 16.041 -14.828 1.00 0.00 O ATOM 0 H ASP A 93 9.186 15.642 -16.055 1.00 0.00 H new ATOM 0 HA ASP A 93 11.201 16.225 -18.138 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.911 13.991 -16.078 1.00 0.00 H new ATOM 0 HB3 ASP A 93 12.153 14.017 -17.313 1.00 0.00 H new ATOM 1557 N THR A 94 9.909 14.993 -19.869 1.00 0.00 N ATOM 1558 CA THR A 94 9.272 14.213 -20.926 1.00 0.00 C ATOM 1559 C THR A 94 10.323 13.529 -21.797 1.00 0.00 C ATOM 1560 O THR A 94 10.480 13.857 -22.972 1.00 0.00 O ATOM 1561 CB THR A 94 8.400 15.127 -21.792 1.00 0.00 C ATOM 1562 OG1 THR A 94 7.763 14.353 -22.800 1.00 0.00 O ATOM 1563 CG2 THR A 94 9.264 16.211 -22.449 1.00 0.00 C ATOM 0 H THR A 94 10.345 15.859 -20.186 1.00 0.00 H new ATOM 0 HA THR A 94 8.649 13.447 -20.464 1.00 0.00 H new ATOM 0 HB THR A 94 7.648 15.604 -21.164 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.203 14.935 -23.355 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.635 16.856 -23.063 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.750 16.807 -21.676 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.022 15.742 -23.076 1.00 0.00 H new ATOM 1571 N LEU A 95 11.040 12.574 -21.211 1.00 0.00 N ATOM 1572 CA LEU A 95 12.073 11.847 -21.943 1.00 0.00 C ATOM 1573 C LEU A 95 11.465 10.645 -22.664 1.00 0.00 C ATOM 1574 O LEU A 95 10.479 10.067 -22.208 1.00 0.00 O ATOM 1575 CB LEU A 95 13.189 11.376 -20.988 1.00 0.00 C ATOM 1576 CG LEU A 95 12.759 11.562 -19.528 1.00 0.00 C ATOM 1577 CD1 LEU A 95 11.643 10.573 -19.186 1.00 0.00 C ATOM 1578 CD2 LEU A 95 13.959 11.304 -18.613 1.00 0.00 C ATOM 0 H LEU A 95 10.926 12.287 -20.239 1.00 0.00 H new ATOM 0 HA LEU A 95 12.507 12.522 -22.680 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.417 10.327 -21.175 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.102 11.940 -21.179 1.00 0.00 H new ATOM 0 HG LEU A 95 12.395 12.580 -19.386 1.00 0.00 H new ATOM 0 HD11 LEU A 95 11.341 10.710 -18.147 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.788 10.750 -19.838 1.00 0.00 H new ATOM 0 HD13 LEU A 95 12.004 9.554 -19.328 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.659 11.435 -17.573 1.00 0.00 H new ATOM 0 HD22 LEU A 95 14.317 10.285 -18.762 1.00 0.00 H new ATOM 0 HD23 LEU A 95 14.756 12.008 -18.852 1.00 0.00 H new ATOM 1590 N TYR A 96 12.058 10.278 -23.795 1.00 0.00 N ATOM 1591 CA TYR A 96 11.568 9.148 -24.573 1.00 0.00 C ATOM 1592 C TYR A 96 11.292 7.953 -23.665 1.00 0.00 C ATOM 1593 O TYR A 96 11.612 7.976 -22.476 1.00 0.00 O ATOM 1594 CB TYR A 96 12.599 8.764 -25.647 1.00 0.00 C ATOM 1595 CG TYR A 96 13.645 9.850 -25.764 1.00 0.00 C ATOM 1596 CD1 TYR A 96 14.969 9.595 -25.381 1.00 0.00 C ATOM 1597 CD2 TYR A 96 13.291 11.112 -26.256 1.00 0.00 C ATOM 1598 CE1 TYR A 96 15.935 10.603 -25.490 1.00 0.00 C ATOM 1599 CE2 TYR A 96 14.257 12.119 -26.365 1.00 0.00 C ATOM 1600 CZ TYR A 96 15.580 11.864 -25.982 1.00 0.00 C ATOM 1601 OH TYR A 96 16.532 12.856 -26.089 1.00 0.00 O ATOM 0 H TYR A 96 12.874 10.744 -24.191 1.00 0.00 H new ATOM 0 HA TYR A 96 10.636 9.438 -25.059 1.00 0.00 H new ATOM 0 HB2 TYR A 96 13.072 7.817 -25.388 1.00 0.00 H new ATOM 0 HB3 TYR A 96 12.102 8.620 -26.606 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.244 8.622 -25.002 1.00 0.00 H new ATOM 0 HD2 TYR A 96 12.271 11.309 -26.552 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.955 10.407 -25.194 1.00 0.00 H new ATOM 0 HE2 TYR A 96 13.982 13.092 -26.744 1.00 0.00 H new ATOM 0 HH TYR A 96 16.119 13.668 -26.449 1.00 0.00 H new ATOM 1611 N GLN A 97 10.697 6.907 -24.233 1.00 0.00 N ATOM 1612 CA GLN A 97 10.380 5.705 -23.467 1.00 0.00 C ATOM 1613 C GLN A 97 10.751 4.454 -24.257 1.00 0.00 C ATOM 1614 O GLN A 97 10.879 4.497 -25.481 1.00 0.00 O ATOM 1615 CB GLN A 97 8.886 5.675 -23.137 1.00 0.00 C ATOM 1616 CG GLN A 97 8.545 6.836 -22.201 1.00 0.00 C ATOM 1617 CD GLN A 97 7.094 6.729 -21.744 1.00 0.00 C ATOM 1618 OE1 GLN A 97 6.816 6.157 -20.690 1.00 0.00 O ATOM 1619 NE2 GLN A 97 6.148 7.247 -22.478 1.00 0.00 N ATOM 0 H GLN A 97 10.426 6.867 -25.216 1.00 0.00 H new ATOM 0 HA GLN A 97 10.957 5.723 -22.542 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.299 5.748 -24.053 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.626 4.727 -22.667 1.00 0.00 H new ATOM 0 HG2 GLN A 97 9.209 6.824 -21.337 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.705 7.785 -22.712 1.00 0.00 H new ATOM 0 HE21 GLN A 97 6.381 7.720 -23.351 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.175 7.179 -22.179 1.00 0.00 H new ATOM 1628 N ASN A 98 10.922 3.342 -23.550 1.00 0.00 N ATOM 1629 CA ASN A 98 11.278 2.085 -24.197 1.00 0.00 C ATOM 1630 C ASN A 98 10.076 1.500 -24.932 1.00 0.00 C ATOM 1631 O ASN A 98 9.050 2.162 -25.090 1.00 0.00 O ATOM 1632 CB ASN A 98 11.775 1.082 -23.153 1.00 0.00 C ATOM 1633 CG ASN A 98 13.120 1.533 -22.595 1.00 0.00 C ATOM 1634 OD1 ASN A 98 13.503 2.770 -22.762 1.00 0.00 O flip ATOM 1635 ND2 ASN A 98 13.840 0.740 -21.990 1.00 0.00 N flip ATOM 0 H ASN A 98 10.821 3.285 -22.537 1.00 0.00 H new ATOM 0 HA ASN A 98 12.071 2.283 -24.919 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.048 0.995 -22.346 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.872 0.094 -23.603 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.539 -0.226 -21.861 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.738 1.048 -21.618 1.00 0.00 H new ATOM 1642 N SER A 99 10.212 0.257 -25.382 1.00 0.00 N ATOM 1643 CA SER A 99 9.130 -0.409 -26.099 1.00 0.00 C ATOM 1644 C SER A 99 9.320 -1.922 -26.071 1.00 0.00 C ATOM 1645 O SER A 99 8.413 -2.677 -26.421 1.00 0.00 O ATOM 1646 CB SER A 99 9.092 0.075 -27.549 1.00 0.00 C ATOM 1647 OG SER A 99 8.091 -0.644 -28.257 1.00 0.00 O ATOM 0 H SER A 99 11.054 -0.306 -25.264 1.00 0.00 H new ATOM 0 HA SER A 99 8.188 -0.164 -25.608 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.881 1.144 -27.582 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.064 -0.073 -28.020 1.00 0.00 H new ATOM 0 HG SER A 99 8.044 -1.561 -27.915 1.00 0.00 H new ATOM 1653 N GLY A 100 10.504 -2.357 -25.654 1.00 0.00 N ATOM 1654 CA GLY A 100 10.803 -3.782 -25.585 1.00 0.00 C ATOM 1655 C GLY A 100 10.120 -4.424 -24.383 1.00 0.00 C ATOM 1656 O GLY A 100 10.053 -5.641 -24.343 1.00 0.00 O ATOM 1657 OXT GLY A 100 9.673 -3.688 -23.518 1.00 0.00 O ATOM 0 H GLY A 100 11.268 -1.748 -25.361 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.472 -4.272 -26.501 1.00 0.00 H new ATOM 0 HA3 GLY A 100 11.881 -3.929 -25.517 1.00 0.00 H new TER 1661 GLY A 100