USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 573 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 38 LYS NZ :NH3+ -143:sc= 0.916 (180deg=-0.566) USER MOD Set 1.2: A 39 TYR OH : rot 151:sc= 0.813 USER MOD Set 2.1: A 27 SER OG : rot 85:sc= 0.544 USER MOD Set 2.2: A 29 GLN :FLIP amide:sc= -0.847 F(o=-0.81,f=0.22) USER MOD Set 2.3: A 30 THR OG1 : rot -29:sc= 0.526! USER MOD Set 3.1: A 5 ASN : amide:sc= -0.359! C(o=-6.3!,f=-13!) USER MOD Set 3.2: A 62 GLN : amide:sc= -5.92! C(o=-6.3!,f=-13!) USER MOD Set 4.1: A 1 MET N :NH3+ -171:sc= -6.44! (180deg=-1.93!) USER MOD Set 4.2: A 64 GLN : amide:sc= -17.5! C(o=-24!,f=-34!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -2.9 K(o=-2.9,f=-5.5!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -149:sc= -1.35! (180deg=-2.41!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -129:sc= 1.39 USER MOD Single : A 17 GLN : amide:sc= -2.42 K(o=-2.4,f=-4.1) USER MOD Single : A 18 SER OG : rot 165:sc= -1.84! USER MOD Single : A 32 ASN : amide:sc= -4.05! C(o=-4!,f=-6.5!) USER MOD Single : A 36 LYS NZ :NH3+ -118:sc= 1.1 (180deg=-6.27!) USER MOD Single : A 37 ASN :FLIP amide:sc= -2.03 F(o=-4.5!,f=-2) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.546 F(o=-1.1,f=-0.55) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0652 USER MOD Single : A 44 GLN : amide:sc= -0.0774 X(o=-0.077,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -129:sc= 0.0173 (180deg=-0.0503) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.792 X(o=-0.79,f=-0.74) USER MOD Single : A 55 THR OG1 : rot -103:sc= -0.469! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.047 5.309 -5.292 1.00 0.00 N ATOM 2 CA MET A 1 4.296 4.774 -3.925 1.00 0.00 C ATOM 3 C MET A 1 3.188 3.785 -3.572 1.00 0.00 C ATOM 4 O MET A 1 3.078 3.334 -2.431 1.00 0.00 O ATOM 5 CB MET A 1 4.305 5.938 -2.921 1.00 0.00 C ATOM 6 CG MET A 1 4.792 7.218 -3.618 1.00 0.00 C ATOM 7 SD MET A 1 6.476 6.961 -4.253 1.00 0.00 S ATOM 8 CE MET A 1 7.170 8.548 -3.730 1.00 0.00 C ATOM 0 H1 MET A 1 4.870 5.863 -5.603 1.00 0.00 H new ATOM 0 H2 MET A 1 3.892 4.519 -5.951 1.00 0.00 H new ATOM 0 H3 MET A 1 3.204 5.918 -5.278 1.00 0.00 H new ATOM 0 HA MET A 1 5.259 4.265 -3.888 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.304 6.090 -2.517 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.956 5.700 -2.079 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.120 7.478 -4.436 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.780 8.053 -2.918 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.218 8.602 -4.026 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.617 9.360 -4.202 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.094 8.639 -2.646 1.00 0.00 H new ATOM 18 N ILE A 2 2.336 3.492 -4.550 1.00 0.00 N ATOM 19 CA ILE A 2 1.200 2.620 -4.335 1.00 0.00 C ATOM 20 C ILE A 2 1.286 1.299 -5.135 1.00 0.00 C ATOM 21 O ILE A 2 1.509 0.234 -4.563 1.00 0.00 O ATOM 22 CB ILE A 2 -0.093 3.376 -4.666 1.00 0.00 C ATOM 23 CG1 ILE A 2 -0.321 4.489 -3.630 1.00 0.00 C ATOM 24 CG2 ILE A 2 -1.275 2.412 -4.636 1.00 0.00 C ATOM 25 CD1 ILE A 2 0.223 5.813 -4.163 1.00 0.00 C ATOM 0 H ILE A 2 2.417 3.851 -5.501 1.00 0.00 H new ATOM 0 HA ILE A 2 1.203 2.333 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.005 3.814 -5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.385 4.584 -3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.174 4.233 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.192 2.953 -4.872 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.120 1.623 -5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.359 1.970 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.058 6.598 -3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.291 5.716 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.292 6.072 -5.088 1.00 0.00 H new ATOM 37 N ILE A 3 0.947 1.370 -6.422 1.00 0.00 N ATOM 38 CA ILE A 3 0.767 0.183 -7.287 1.00 0.00 C ATOM 39 C ILE A 3 -0.408 -0.686 -6.807 1.00 0.00 C ATOM 40 O ILE A 3 -1.175 -1.208 -7.626 1.00 0.00 O ATOM 41 CB ILE A 3 2.035 -0.682 -7.372 1.00 0.00 C ATOM 42 CG1 ILE A 3 3.239 0.167 -7.757 1.00 0.00 C ATOM 43 CG2 ILE A 3 1.845 -1.790 -8.416 1.00 0.00 C ATOM 44 CD1 ILE A 3 2.944 0.939 -9.046 1.00 0.00 C ATOM 0 H ILE A 3 0.786 2.254 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 3 0.551 0.568 -8.283 1.00 0.00 H new ATOM 0 HB ILE A 3 2.211 -1.126 -6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.476 0.863 -6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.113 -0.469 -7.896 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.748 -2.398 -8.470 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.001 -2.418 -8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.651 -1.342 -9.391 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.810 1.544 -9.314 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.729 0.235 -9.850 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.082 1.588 -8.892 1.00 0.00 H new ATOM 56 N ASN A 4 -0.503 -0.890 -5.492 1.00 0.00 N ATOM 57 CA ASN A 4 -1.534 -1.756 -4.899 1.00 0.00 C ATOM 58 C ASN A 4 -1.411 -3.177 -5.421 1.00 0.00 C ATOM 59 O ASN A 4 -2.410 -3.893 -5.564 1.00 0.00 O ATOM 60 CB ASN A 4 -2.948 -1.230 -5.199 1.00 0.00 C ATOM 61 CG ASN A 4 -3.224 0.054 -4.438 1.00 0.00 C ATOM 62 OD1 ASN A 4 -2.890 0.165 -3.258 1.00 0.00 O ATOM 63 ND2 ASN A 4 -3.809 1.038 -5.040 1.00 0.00 N ATOM 0 H ASN A 4 0.125 -0.465 -4.810 1.00 0.00 H new ATOM 0 HA ASN A 4 -1.377 -1.750 -3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.054 -1.053 -6.269 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.686 -1.984 -4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.994 1.906 -4.537 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.086 0.946 -6.017 1.00 0.00 H new ATOM 70 N ASN A 5 -0.191 -3.604 -5.670 1.00 0.00 N ATOM 71 CA ASN A 5 0.069 -4.959 -6.157 1.00 0.00 C ATOM 72 C ASN A 5 0.158 -5.934 -4.987 1.00 0.00 C ATOM 73 O ASN A 5 1.153 -6.634 -4.809 1.00 0.00 O ATOM 74 CB ASN A 5 1.357 -4.999 -7.021 1.00 0.00 C ATOM 75 CG ASN A 5 2.489 -4.213 -6.371 1.00 0.00 C ATOM 76 OD1 ASN A 5 2.239 -3.291 -5.597 1.00 0.00 O ATOM 77 ND2 ASN A 5 3.723 -4.517 -6.638 1.00 0.00 N ATOM 0 H ASN A 5 0.646 -3.035 -5.545 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.763 -5.265 -6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.667 -6.034 -7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.147 -4.588 -8.008 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.483 -3.991 -6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.932 -5.282 -7.280 1.00 0.00 H new ATOM 84 N LEU A 6 -0.879 -5.920 -4.156 1.00 0.00 N ATOM 85 CA LEU A 6 -0.946 -6.764 -2.950 1.00 0.00 C ATOM 86 C LEU A 6 -1.362 -8.218 -3.258 1.00 0.00 C ATOM 87 O LEU A 6 -0.866 -9.167 -2.640 1.00 0.00 O ATOM 88 CB LEU A 6 -1.914 -6.121 -1.923 1.00 0.00 C ATOM 89 CG LEU A 6 -2.033 -6.947 -0.610 1.00 0.00 C ATOM 90 CD1 LEU A 6 -3.007 -8.120 -0.785 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.661 -7.460 -0.144 1.00 0.00 C ATOM 0 H LEU A 6 -1.699 -5.328 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 6 0.058 -6.818 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.568 -5.115 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.901 -6.020 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.426 -6.281 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.072 -8.681 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.993 -7.738 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.648 -8.775 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.780 -8.033 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.230 -8.098 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.001 -6.614 0.039 1.00 0.00 H new ATOM 103 N LYS A 7 -2.347 -8.372 -4.133 1.00 0.00 N ATOM 104 CA LYS A 7 -2.977 -9.683 -4.368 1.00 0.00 C ATOM 105 C LYS A 7 -1.960 -10.751 -4.665 1.00 0.00 C ATOM 106 O LYS A 7 -2.025 -11.854 -4.147 1.00 0.00 O ATOM 107 CB LYS A 7 -3.980 -9.584 -5.537 1.00 0.00 C ATOM 108 CG LYS A 7 -3.365 -8.762 -6.684 1.00 0.00 C ATOM 109 CD LYS A 7 -4.444 -8.406 -7.715 1.00 0.00 C ATOM 110 CE LYS A 7 -3.907 -7.320 -8.661 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.203 -7.938 -9.812 1.00 0.00 N ATOM 0 H LYS A 7 -2.733 -7.613 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.499 -9.964 -3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.239 -10.582 -5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.904 -9.116 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.914 -7.852 -6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.567 -9.331 -7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.726 -9.292 -8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.343 -8.052 -7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.730 -6.702 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.226 -6.662 -8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.846 -7.192 -10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.406 -8.509 -9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.863 -8.547 -10.336 1.00 0.00 H new ATOM 125 N LEU A 8 -1.102 -10.427 -5.568 1.00 0.00 N ATOM 126 CA LEU A 8 -0.147 -11.339 -6.159 1.00 0.00 C ATOM 127 C LEU A 8 0.604 -12.100 -5.085 1.00 0.00 C ATOM 128 O LEU A 8 0.673 -13.331 -5.117 1.00 0.00 O ATOM 129 CB LEU A 8 0.856 -10.489 -6.950 1.00 0.00 C ATOM 130 CG LEU A 8 0.084 -9.348 -7.631 1.00 0.00 C ATOM 131 CD1 LEU A 8 -0.040 -8.179 -6.670 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.805 -8.849 -8.846 1.00 0.00 C ATOM 0 H LEU A 8 -1.032 -9.480 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.663 -12.059 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.621 -10.087 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.368 -11.099 -7.694 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.892 -9.738 -7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.587 -7.369 -7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.576 -8.498 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.954 -7.830 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.232 -8.043 -9.304 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.789 -8.477 -8.558 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.920 -9.664 -9.561 1.00 0.00 H new ATOM 144 N ILE A 9 1.150 -11.376 -4.133 1.00 0.00 N ATOM 145 CA ILE A 9 1.882 -12.003 -3.056 1.00 0.00 C ATOM 146 C ILE A 9 0.914 -12.794 -2.181 1.00 0.00 C ATOM 147 O ILE A 9 1.165 -13.948 -1.838 1.00 0.00 O ATOM 148 CB ILE A 9 2.594 -10.933 -2.225 1.00 0.00 C ATOM 149 CG1 ILE A 9 3.402 -10.029 -3.161 1.00 0.00 C ATOM 150 CG2 ILE A 9 3.581 -11.627 -1.280 1.00 0.00 C ATOM 151 CD1 ILE A 9 3.031 -8.579 -2.904 1.00 0.00 C ATOM 0 H ILE A 9 1.101 -10.358 -4.083 1.00 0.00 H new ATOM 0 HA ILE A 9 2.629 -12.682 -3.466 1.00 0.00 H new ATOM 0 HB ILE A 9 1.861 -10.350 -1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.469 -10.178 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.200 -10.289 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.098 -10.878 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.039 -12.308 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.309 -12.190 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.605 -7.933 -3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.966 -8.437 -3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.255 -8.324 -1.868 1.00 0.00 H new ATOM 163 N ARG A 10 -0.224 -12.185 -1.872 1.00 0.00 N ATOM 164 CA ARG A 10 -1.246 -12.842 -1.064 1.00 0.00 C ATOM 165 C ARG A 10 -1.762 -14.097 -1.741 1.00 0.00 C ATOM 166 O ARG A 10 -1.846 -15.157 -1.114 1.00 0.00 O ATOM 167 CB ARG A 10 -2.391 -11.854 -0.727 1.00 0.00 C ATOM 168 CG ARG A 10 -3.766 -12.554 -0.729 1.00 0.00 C ATOM 169 CD ARG A 10 -4.493 -12.183 -2.027 1.00 0.00 C ATOM 170 NE ARG A 10 -5.658 -13.020 -2.248 1.00 0.00 N ATOM 171 CZ ARG A 10 -6.585 -12.699 -3.157 1.00 0.00 C ATOM 172 NH1 ARG A 10 -6.599 -11.497 -3.695 1.00 0.00 N ATOM 173 NH2 ARG A 10 -7.507 -13.561 -3.463 1.00 0.00 N ATOM 0 H ARG A 10 -0.463 -11.239 -2.168 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.791 -13.155 -0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.211 -11.408 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.395 -11.041 -1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.642 -13.635 -0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.352 -12.243 0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.798 -11.137 -1.987 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.808 -12.283 -2.869 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.772 -13.871 -1.698 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.901 -10.806 -3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.308 -11.257 -4.388 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.521 -14.475 -3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.218 -13.324 -4.155 1.00 0.00 H new ATOM 187 N GLU A 11 -2.089 -13.993 -3.017 1.00 0.00 N ATOM 188 CA GLU A 11 -2.575 -15.143 -3.736 1.00 0.00 C ATOM 189 C GLU A 11 -1.457 -16.164 -3.911 1.00 0.00 C ATOM 190 O GLU A 11 -1.704 -17.376 -3.945 1.00 0.00 O ATOM 191 CB GLU A 11 -3.217 -14.767 -5.087 1.00 0.00 C ATOM 192 CG GLU A 11 -2.214 -14.053 -5.999 1.00 0.00 C ATOM 193 CD GLU A 11 -2.518 -14.361 -7.440 1.00 0.00 C ATOM 194 OE1 GLU A 11 -2.006 -15.337 -7.936 1.00 0.00 O ATOM 195 OE2 GLU A 11 -3.266 -13.626 -8.035 1.00 0.00 O ATOM 0 H GLU A 11 -2.026 -13.135 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.368 -15.594 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.584 -15.667 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.079 -14.123 -4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.260 -12.977 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.200 -14.371 -5.757 1.00 0.00 H new ATOM 202 N LYS A 12 -0.220 -15.663 -4.012 1.00 0.00 N ATOM 203 CA LYS A 12 0.947 -16.519 -4.166 1.00 0.00 C ATOM 204 C LYS A 12 1.073 -17.458 -2.984 1.00 0.00 C ATOM 205 O LYS A 12 1.162 -18.670 -3.158 1.00 0.00 O ATOM 206 CB LYS A 12 2.206 -15.661 -4.252 1.00 0.00 C ATOM 207 CG LYS A 12 3.434 -16.550 -4.424 1.00 0.00 C ATOM 208 CD LYS A 12 4.683 -15.678 -4.374 1.00 0.00 C ATOM 209 CE LYS A 12 4.920 -15.017 -5.740 1.00 0.00 C ATOM 210 NZ LYS A 12 6.301 -15.300 -6.198 1.00 0.00 N ATOM 0 H LYS A 12 -0.008 -14.665 -3.989 1.00 0.00 H new ATOM 0 HA LYS A 12 0.830 -17.103 -5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.128 -14.969 -5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.307 -15.058 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.468 -17.303 -3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.384 -17.083 -5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.571 -14.913 -3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.547 -16.282 -4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.201 -15.394 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.764 -13.941 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.459 -14.851 -7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.980 -14.920 -5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.434 -16.328 -6.285 1.00 0.00 H new ATOM 224 N LYS A 13 0.964 -16.914 -1.783 1.00 0.00 N ATOM 225 CA LYS A 13 0.962 -17.743 -0.600 1.00 0.00 C ATOM 226 C LYS A 13 -0.464 -18.075 -0.228 1.00 0.00 C ATOM 227 O LYS A 13 -0.774 -18.339 0.929 1.00 0.00 O ATOM 228 CB LYS A 13 1.692 -17.089 0.577 1.00 0.00 C ATOM 229 CG LYS A 13 1.657 -15.558 0.455 1.00 0.00 C ATOM 230 CD LYS A 13 2.290 -14.932 1.699 1.00 0.00 C ATOM 231 CE LYS A 13 3.763 -14.605 1.427 1.00 0.00 C ATOM 232 NZ LYS A 13 4.425 -14.220 2.695 1.00 0.00 N ATOM 0 H LYS A 13 0.877 -15.913 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 13 1.508 -18.658 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.228 -17.395 1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.726 -17.433 0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.195 -15.241 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.628 -15.215 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.752 -14.025 1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.211 -15.618 2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.264 -15.469 0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.839 -13.793 0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.181 -13.534 2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.727 -13.791 3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.833 -15.065 3.144 1.00 0.00 H new ATOM 246 N LYS A 14 -1.319 -18.060 -1.246 1.00 0.00 N ATOM 247 CA LYS A 14 -2.731 -18.389 -1.137 1.00 0.00 C ATOM 248 C LYS A 14 -3.367 -17.883 0.147 1.00 0.00 C ATOM 249 O LYS A 14 -4.182 -18.574 0.767 1.00 0.00 O ATOM 250 CB LYS A 14 -2.969 -19.884 -1.355 1.00 0.00 C ATOM 251 CG LYS A 14 -1.869 -20.681 -0.664 1.00 0.00 C ATOM 252 CD LYS A 14 -2.165 -20.723 0.820 1.00 0.00 C ATOM 253 CE LYS A 14 -3.373 -21.628 1.064 1.00 0.00 C ATOM 254 NZ LYS A 14 -3.035 -22.674 2.058 1.00 0.00 N ATOM 0 H LYS A 14 -1.038 -17.811 -2.195 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.239 -17.854 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.943 -20.169 -0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.981 -20.109 -2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.822 -21.692 -1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.898 -20.220 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.299 -21.097 1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.367 -19.718 1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.215 -21.035 1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.684 -22.092 0.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.863 -23.283 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.245 -23.249 1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.759 -22.225 2.955 1.00 0.00 H new ATOM 268 N ILE A 15 -3.068 -16.648 0.493 1.00 0.00 N ATOM 269 CA ILE A 15 -3.661 -16.031 1.665 1.00 0.00 C ATOM 270 C ILE A 15 -5.067 -15.608 1.356 1.00 0.00 C ATOM 271 O ILE A 15 -5.326 -15.005 0.305 1.00 0.00 O ATOM 272 CB ILE A 15 -2.854 -14.816 2.114 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.429 -15.221 2.424 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.476 -14.187 3.358 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.405 -16.439 3.341 1.00 0.00 C ATOM 0 H ILE A 15 -2.419 -16.051 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.661 -16.764 2.472 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.860 -14.088 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.899 -15.446 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.904 -14.392 2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.886 -13.322 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.495 -13.871 3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.492 -14.918 4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.372 -16.715 3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.916 -16.202 4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.910 -17.272 2.853 1.00 0.00 H new ATOM 287 N SER A 16 -5.970 -15.871 2.266 1.00 0.00 N ATOM 288 CA SER A 16 -7.331 -15.433 2.057 1.00 0.00 C ATOM 289 C SER A 16 -7.418 -13.948 2.307 1.00 0.00 C ATOM 290 O SER A 16 -6.792 -13.420 3.240 1.00 0.00 O ATOM 291 CB SER A 16 -8.337 -16.200 2.939 1.00 0.00 C ATOM 292 OG SER A 16 -8.449 -15.584 4.227 1.00 0.00 O ATOM 0 H SER A 16 -5.798 -16.372 3.137 1.00 0.00 H new ATOM 0 HA SER A 16 -7.603 -15.649 1.024 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.313 -16.221 2.454 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.015 -17.235 3.052 1.00 0.00 H new ATOM 0 HG SER A 16 -8.332 -16.262 4.925 1.00 0.00 H new ATOM 298 N GLN A 17 -8.230 -13.277 1.539 1.00 0.00 N ATOM 299 CA GLN A 17 -8.436 -11.877 1.777 1.00 0.00 C ATOM 300 C GLN A 17 -9.133 -11.732 3.114 1.00 0.00 C ATOM 301 O GLN A 17 -8.902 -10.782 3.853 1.00 0.00 O ATOM 302 CB GLN A 17 -9.261 -11.255 0.642 1.00 0.00 C ATOM 303 CG GLN A 17 -8.761 -11.804 -0.707 1.00 0.00 C ATOM 304 CD GLN A 17 -8.477 -10.670 -1.674 1.00 0.00 C ATOM 305 OE1 GLN A 17 -9.131 -10.555 -2.708 1.00 0.00 O ATOM 306 NE2 GLN A 17 -7.540 -9.818 -1.396 1.00 0.00 N ATOM 0 H GLN A 17 -8.752 -13.669 0.755 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.484 -11.348 1.802 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.317 -11.488 0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.169 -10.169 0.663 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.857 -12.393 -0.553 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.509 -12.473 -1.133 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.999 -9.917 -0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.344 -9.049 -2.037 1.00 0.00 H new ATOM 315 N SER A 18 -9.964 -12.716 3.421 1.00 0.00 N ATOM 316 CA SER A 18 -10.699 -12.756 4.664 1.00 0.00 C ATOM 317 C SER A 18 -9.774 -12.805 5.877 1.00 0.00 C ATOM 318 O SER A 18 -9.916 -11.989 6.793 1.00 0.00 O ATOM 319 CB SER A 18 -11.615 -13.977 4.661 1.00 0.00 C ATOM 320 OG SER A 18 -12.175 -14.143 3.355 1.00 0.00 O ATOM 0 H SER A 18 -10.145 -13.511 2.808 1.00 0.00 H new ATOM 0 HA SER A 18 -11.285 -11.840 4.741 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.054 -14.868 4.945 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.409 -13.852 5.397 1.00 0.00 H new ATOM 0 HG SER A 18 -12.562 -15.040 3.277 1.00 0.00 H new ATOM 326 N GLU A 19 -8.790 -13.713 5.873 1.00 0.00 N ATOM 327 CA GLU A 19 -7.869 -13.778 7.003 1.00 0.00 C ATOM 328 C GLU A 19 -6.958 -12.581 7.004 1.00 0.00 C ATOM 329 O GLU A 19 -6.753 -11.945 8.034 1.00 0.00 O ATOM 330 CB GLU A 19 -7.070 -15.105 7.041 1.00 0.00 C ATOM 331 CG GLU A 19 -6.072 -15.204 5.867 1.00 0.00 C ATOM 332 CD GLU A 19 -5.986 -16.631 5.356 1.00 0.00 C ATOM 333 OE1 GLU A 19 -7.003 -17.291 5.331 1.00 0.00 O ATOM 334 OE2 GLU A 19 -4.917 -17.049 4.981 1.00 0.00 O ATOM 0 H GLU A 19 -8.618 -14.388 5.128 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.466 -13.758 7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.530 -15.178 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.761 -15.947 7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.385 -14.542 5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.087 -14.868 6.191 1.00 0.00 H new ATOM 341 N LEU A 20 -6.495 -12.218 5.827 1.00 0.00 N ATOM 342 CA LEU A 20 -5.627 -11.076 5.681 1.00 0.00 C ATOM 343 C LEU A 20 -6.329 -9.830 6.189 1.00 0.00 C ATOM 344 O LEU A 20 -5.832 -9.148 7.075 1.00 0.00 O ATOM 345 CB LEU A 20 -5.319 -10.902 4.189 1.00 0.00 C ATOM 346 CG LEU A 20 -4.470 -9.653 3.942 1.00 0.00 C ATOM 347 CD1 LEU A 20 -2.984 -10.031 3.878 1.00 0.00 C ATOM 348 CD2 LEU A 20 -4.908 -9.010 2.627 1.00 0.00 C ATOM 0 H LEU A 20 -6.708 -12.702 4.955 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.710 -11.227 6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.793 -11.782 3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.251 -10.828 3.629 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.610 -8.945 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.388 -9.136 3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.684 -10.487 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.823 -10.739 3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.309 -8.118 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.767 -9.719 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.960 -8.734 2.690 1.00 0.00 H new ATOM 360 N ALA A 21 -7.531 -9.601 5.702 1.00 0.00 N ATOM 361 CA ALA A 21 -8.307 -8.439 6.104 1.00 0.00 C ATOM 362 C ALA A 21 -8.580 -8.451 7.593 1.00 0.00 C ATOM 363 O ALA A 21 -8.540 -7.402 8.250 1.00 0.00 O ATOM 364 CB ALA A 21 -9.622 -8.379 5.328 1.00 0.00 C ATOM 0 H ALA A 21 -7.996 -10.205 5.024 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.720 -7.550 5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.190 -7.503 5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.412 -8.312 4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.204 -9.279 5.527 1.00 0.00 H new ATOM 370 N ALA A 22 -8.803 -9.635 8.143 1.00 0.00 N ATOM 371 CA ALA A 22 -9.041 -9.756 9.560 1.00 0.00 C ATOM 372 C ALA A 22 -7.820 -9.295 10.323 1.00 0.00 C ATOM 373 O ALA A 22 -7.935 -8.600 11.329 1.00 0.00 O ATOM 374 CB ALA A 22 -9.377 -11.205 9.926 1.00 0.00 C ATOM 0 H ALA A 22 -8.823 -10.515 7.628 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.890 -9.128 9.829 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.554 -11.278 10.999 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.273 -11.518 9.389 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.544 -11.852 9.651 1.00 0.00 H new ATOM 380 N LEU A 23 -6.650 -9.669 9.831 1.00 0.00 N ATOM 381 CA LEU A 23 -5.401 -9.275 10.466 1.00 0.00 C ATOM 382 C LEU A 23 -5.231 -7.775 10.392 1.00 0.00 C ATOM 383 O LEU A 23 -4.687 -7.149 11.307 1.00 0.00 O ATOM 384 CB LEU A 23 -4.201 -9.924 9.774 1.00 0.00 C ATOM 385 CG LEU A 23 -4.272 -11.444 9.888 1.00 0.00 C ATOM 386 CD1 LEU A 23 -2.964 -12.055 9.400 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.557 -11.860 11.324 1.00 0.00 C ATOM 0 H LEU A 23 -6.538 -10.244 8.996 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.444 -9.604 11.504 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.179 -9.633 8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.276 -9.563 10.224 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.088 -11.810 9.264 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.017 -13.141 9.482 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.799 -11.777 8.359 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.140 -11.685 10.009 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.604 -12.947 11.385 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.762 -11.494 11.973 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.510 -11.437 11.643 1.00 0.00 H new ATOM 399 N LEU A 24 -5.596 -7.224 9.249 1.00 0.00 N ATOM 400 CA LEU A 24 -5.359 -5.820 8.956 1.00 0.00 C ATOM 401 C LEU A 24 -6.276 -4.933 9.767 1.00 0.00 C ATOM 402 O LEU A 24 -6.055 -3.732 9.853 1.00 0.00 O ATOM 403 CB LEU A 24 -5.568 -5.538 7.468 1.00 0.00 C ATOM 404 CG LEU A 24 -4.616 -6.394 6.630 1.00 0.00 C ATOM 405 CD1 LEU A 24 -4.853 -6.147 5.142 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.171 -6.091 6.987 1.00 0.00 C ATOM 0 H LEU A 24 -6.063 -7.734 8.499 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.326 -5.598 9.224 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.600 -5.752 7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.395 -4.482 7.263 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.814 -7.443 6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.169 -6.762 4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.881 -6.407 4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.678 -5.095 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.509 -6.709 6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.962 -5.039 6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.004 -6.307 8.042 1.00 0.00 H new ATOM 418 N GLU A 25 -7.359 -5.507 10.260 1.00 0.00 N ATOM 419 CA GLU A 25 -8.378 -4.755 10.993 1.00 0.00 C ATOM 420 C GLU A 25 -9.177 -3.907 10.020 1.00 0.00 C ATOM 421 O GLU A 25 -9.748 -2.873 10.392 1.00 0.00 O ATOM 422 CB GLU A 25 -7.745 -3.846 12.058 1.00 0.00 C ATOM 423 CG GLU A 25 -6.899 -4.674 13.039 1.00 0.00 C ATOM 424 CD GLU A 25 -6.274 -3.769 14.081 1.00 0.00 C ATOM 425 OE1 GLU A 25 -5.790 -2.724 13.715 1.00 0.00 O ATOM 426 OE2 GLU A 25 -6.294 -4.121 15.232 1.00 0.00 O ATOM 0 H GLU A 25 -7.562 -6.502 10.168 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.031 -5.468 11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.121 -3.092 11.577 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.526 -3.314 12.601 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.522 -5.425 13.525 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.120 -5.209 12.497 1.00 0.00 H new ATOM 433 N VAL A 26 -9.228 -4.351 8.779 1.00 0.00 N ATOM 434 CA VAL A 26 -9.971 -3.657 7.748 1.00 0.00 C ATOM 435 C VAL A 26 -10.868 -4.635 7.024 1.00 0.00 C ATOM 436 O VAL A 26 -10.729 -5.854 7.178 1.00 0.00 O ATOM 437 CB VAL A 26 -9.026 -2.943 6.759 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.202 -1.883 7.495 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.082 -3.955 6.095 1.00 0.00 C ATOM 0 H VAL A 26 -8.758 -5.198 8.459 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.586 -2.890 8.219 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.630 -2.463 5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.538 -1.384 6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.871 -1.149 7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.610 -2.360 8.276 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.422 -3.435 5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.485 -4.452 6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.668 -4.697 5.553 1.00 0.00 H new ATOM 449 N SER A 27 -11.829 -4.116 6.306 1.00 0.00 N ATOM 450 CA SER A 27 -12.778 -4.959 5.629 1.00 0.00 C ATOM 451 C SER A 27 -12.155 -5.652 4.417 1.00 0.00 C ATOM 452 O SER A 27 -11.382 -5.048 3.649 1.00 0.00 O ATOM 453 CB SER A 27 -14.009 -4.148 5.241 1.00 0.00 C ATOM 454 OG SER A 27 -13.589 -2.891 4.712 1.00 0.00 O ATOM 0 H SER A 27 -11.975 -3.115 6.175 1.00 0.00 H new ATOM 0 HA SER A 27 -13.086 -5.749 6.314 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.599 -4.690 4.502 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.649 -3.996 6.110 1.00 0.00 H new ATOM 0 HG SER A 27 -13.387 -2.989 3.758 1.00 0.00 H new ATOM 460 N ARG A 28 -12.538 -6.901 4.225 1.00 0.00 N ATOM 461 CA ARG A 28 -12.076 -7.701 3.103 1.00 0.00 C ATOM 462 C ARG A 28 -12.476 -7.072 1.778 1.00 0.00 C ATOM 463 O ARG A 28 -11.675 -7.024 0.828 1.00 0.00 O ATOM 464 CB ARG A 28 -12.618 -9.133 3.235 1.00 0.00 C ATOM 465 CG ARG A 28 -12.299 -9.967 1.995 1.00 0.00 C ATOM 466 CD ARG A 28 -12.840 -11.391 2.197 1.00 0.00 C ATOM 467 NE ARG A 28 -14.298 -11.365 2.339 1.00 0.00 N ATOM 468 CZ ARG A 28 -14.999 -12.439 2.730 1.00 0.00 C ATOM 469 NH1 ARG A 28 -14.388 -13.541 3.043 1.00 0.00 N ATOM 470 NH2 ARG A 28 -16.293 -12.368 2.820 1.00 0.00 N ATOM 0 H ARG A 28 -13.181 -7.392 4.845 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.987 -7.739 3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.185 -9.608 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.697 -9.103 3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.749 -9.515 1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.223 -9.994 1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.561 -12.017 1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.389 -11.836 3.084 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.797 -10.500 2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.371 -13.592 2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.925 -14.355 3.340 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.773 -11.497 2.593 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.829 -13.183 3.117 1.00 0.00 H new ATOM 484 N GLN A 29 -13.702 -6.577 1.715 1.00 0.00 N ATOM 485 CA GLN A 29 -14.195 -5.961 0.509 1.00 0.00 C ATOM 486 C GLN A 29 -13.265 -4.838 0.075 1.00 0.00 C ATOM 487 O GLN A 29 -12.971 -4.669 -1.110 1.00 0.00 O ATOM 488 CB GLN A 29 -15.638 -5.457 0.721 1.00 0.00 C ATOM 489 CG GLN A 29 -15.664 -4.217 1.624 1.00 0.00 C ATOM 490 CD GLN A 29 -15.594 -2.968 0.779 1.00 0.00 C ATOM 491 OE1 GLN A 29 -14.691 -2.087 1.020 1.00 0.00 O flip ATOM 492 NE2 GLN A 29 -16.396 -2.799 -0.145 1.00 0.00 N flip ATOM 0 H GLN A 29 -14.368 -6.593 2.488 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.216 -6.701 -0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.088 -5.218 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.241 -6.248 1.167 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.574 -4.211 2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.825 -4.244 2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.112 -3.501 -0.334 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.342 -1.958 -0.719 1.00 0.00 H new ATOM 501 N THR A 30 -12.784 -4.095 1.047 1.00 0.00 N ATOM 502 CA THR A 30 -11.872 -3.024 0.786 1.00 0.00 C ATOM 503 C THR A 30 -10.547 -3.561 0.246 1.00 0.00 C ATOM 504 O THR A 30 -10.036 -3.075 -0.759 1.00 0.00 O ATOM 505 CB THR A 30 -11.660 -2.229 2.071 1.00 0.00 C ATOM 506 OG1 THR A 30 -12.933 -2.009 2.671 1.00 0.00 O ATOM 507 CG2 THR A 30 -11.043 -0.876 1.730 1.00 0.00 C ATOM 0 H THR A 30 -13.017 -4.222 2.032 1.00 0.00 H new ATOM 0 HA THR A 30 -12.290 -2.367 0.024 1.00 0.00 H new ATOM 0 HB THR A 30 -11.001 -2.775 2.747 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.622 -1.980 1.975 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.890 -0.305 2.646 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.085 -1.028 1.233 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.713 -0.327 1.068 1.00 0.00 H new ATOM 515 N ILE A 31 -9.997 -4.565 0.918 1.00 0.00 N ATOM 516 CA ILE A 31 -8.699 -5.102 0.533 1.00 0.00 C ATOM 517 C ILE A 31 -8.743 -5.719 -0.856 1.00 0.00 C ATOM 518 O ILE A 31 -7.853 -5.477 -1.681 1.00 0.00 O ATOM 519 CB ILE A 31 -8.214 -6.147 1.555 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.937 -5.478 2.909 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.935 -6.823 1.052 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.890 -4.369 2.742 1.00 0.00 C ATOM 0 H ILE A 31 -10.425 -5.020 1.724 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.995 -4.270 0.516 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.995 -6.897 1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.859 -5.061 3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.582 -6.220 3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.601 -7.560 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.135 -7.319 0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.157 -6.072 0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.700 -3.900 3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.964 -4.797 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.261 -3.621 2.042 1.00 0.00 H new ATOM 534 N ASN A 32 -9.776 -6.496 -1.132 1.00 0.00 N ATOM 535 CA ASN A 32 -9.874 -7.126 -2.438 1.00 0.00 C ATOM 536 C ASN A 32 -10.108 -6.081 -3.508 1.00 0.00 C ATOM 537 O ASN A 32 -9.706 -6.258 -4.666 1.00 0.00 O ATOM 538 CB ASN A 32 -10.940 -8.234 -2.466 1.00 0.00 C ATOM 539 CG ASN A 32 -12.351 -7.669 -2.548 1.00 0.00 C ATOM 540 OD1 ASN A 32 -12.647 -6.830 -3.398 1.00 0.00 O ATOM 541 ND2 ASN A 32 -13.249 -8.090 -1.719 1.00 0.00 N ATOM 0 H ASN A 32 -10.540 -6.703 -0.489 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.924 -7.617 -2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.761 -8.887 -3.320 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.847 -8.848 -1.570 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.201 -7.727 -1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.006 -8.785 -1.014 1.00 0.00 H new ATOM 548 N GLY A 33 -10.674 -4.951 -3.093 1.00 0.00 N ATOM 549 CA GLY A 33 -10.834 -3.802 -3.967 1.00 0.00 C ATOM 550 C GLY A 33 -9.488 -3.125 -4.206 1.00 0.00 C ATOM 551 O GLY A 33 -9.203 -2.657 -5.310 1.00 0.00 O ATOM 0 H GLY A 33 -11.031 -4.810 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.264 -4.117 -4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.531 -3.092 -3.522 1.00 0.00 H new ATOM 555 N ILE A 34 -8.661 -3.063 -3.157 1.00 0.00 N ATOM 556 CA ILE A 34 -7.362 -2.393 -3.242 1.00 0.00 C ATOM 557 C ILE A 34 -6.471 -3.062 -4.262 1.00 0.00 C ATOM 558 O ILE A 34 -5.856 -2.387 -5.085 1.00 0.00 O ATOM 559 CB ILE A 34 -6.664 -2.350 -1.858 1.00 0.00 C ATOM 560 CG1 ILE A 34 -7.423 -1.404 -0.914 1.00 0.00 C ATOM 561 CG2 ILE A 34 -5.219 -1.854 -2.005 1.00 0.00 C ATOM 562 CD1 ILE A 34 -6.894 -1.561 0.510 1.00 0.00 C ATOM 0 H ILE A 34 -8.868 -3.467 -2.244 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.541 -1.368 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.661 -3.358 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.303 -0.372 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.490 -1.626 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.741 -1.829 -1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.668 -2.528 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.220 -0.852 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.435 -0.888 1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.037 -2.590 0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.832 -1.317 0.533 1.00 0.00 H new ATOM 574 N GLU A 35 -6.437 -4.379 -4.257 1.00 0.00 N ATOM 575 CA GLU A 35 -5.634 -5.077 -5.225 1.00 0.00 C ATOM 576 C GLU A 35 -6.195 -4.838 -6.629 1.00 0.00 C ATOM 577 O GLU A 35 -5.436 -4.669 -7.590 1.00 0.00 O ATOM 578 CB GLU A 35 -5.508 -6.575 -4.866 1.00 0.00 C ATOM 579 CG GLU A 35 -6.898 -7.224 -4.871 1.00 0.00 C ATOM 580 CD GLU A 35 -6.871 -8.641 -4.324 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.147 -8.893 -3.381 1.00 0.00 O ATOM 582 OE2 GLU A 35 -7.588 -9.463 -4.865 1.00 0.00 O ATOM 0 H GLU A 35 -6.948 -4.974 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.618 -4.682 -5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.858 -7.078 -5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.047 -6.687 -3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.582 -6.619 -4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.288 -7.237 -5.889 1.00 0.00 H new ATOM 589 N LYS A 36 -7.531 -4.763 -6.732 1.00 0.00 N ATOM 590 CA LYS A 36 -8.172 -4.439 -8.012 1.00 0.00 C ATOM 591 C LYS A 36 -7.866 -3.006 -8.396 1.00 0.00 C ATOM 592 O LYS A 36 -7.508 -2.724 -9.539 1.00 0.00 O ATOM 593 CB LYS A 36 -9.710 -4.598 -7.940 1.00 0.00 C ATOM 594 CG LYS A 36 -10.137 -6.056 -7.629 1.00 0.00 C ATOM 595 CD LYS A 36 -8.961 -7.024 -7.796 1.00 0.00 C ATOM 596 CE LYS A 36 -9.367 -8.424 -7.349 1.00 0.00 C ATOM 597 NZ LYS A 36 -9.574 -8.431 -5.877 1.00 0.00 N ATOM 0 H LYS A 36 -8.177 -4.919 -5.958 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.776 -5.133 -8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.106 -3.934 -7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.150 -4.287 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.520 -6.116 -6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.950 -6.349 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.642 -7.045 -8.838 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.110 -6.679 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.282 -8.729 -7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.595 -9.143 -7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.897 -9.084 -5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.427 -7.473 -5.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.544 -8.741 -5.664 1.00 0.00 H new ATOM 611 N ASN A 37 -8.049 -2.106 -7.427 1.00 0.00 N ATOM 612 CA ASN A 37 -7.852 -0.663 -7.599 1.00 0.00 C ATOM 613 C ASN A 37 -8.639 0.106 -6.534 1.00 0.00 C ATOM 614 O ASN A 37 -9.853 0.312 -6.667 1.00 0.00 O ATOM 615 CB ASN A 37 -8.281 -0.184 -9.007 1.00 0.00 C ATOM 616 CG ASN A 37 -9.686 -0.681 -9.373 1.00 0.00 C ATOM 617 OD1 ASN A 37 -10.427 -1.263 -8.485 1.00 0.00 O flip ATOM 618 ND2 ASN A 37 -10.116 -0.531 -10.524 1.00 0.00 N flip ATOM 0 H ASN A 37 -8.343 -2.363 -6.485 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.786 -0.464 -7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.260 0.905 -9.043 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.565 -0.541 -9.747 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.538 -0.073 -11.229 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.048 -0.865 -10.768 1.00 0.00 H new ATOM 625 N LYS A 38 -7.963 0.498 -5.475 1.00 0.00 N ATOM 626 CA LYS A 38 -8.593 1.242 -4.387 1.00 0.00 C ATOM 627 C LYS A 38 -7.538 2.100 -3.696 1.00 0.00 C ATOM 628 O LYS A 38 -6.335 1.930 -3.938 1.00 0.00 O ATOM 629 CB LYS A 38 -9.242 0.268 -3.379 1.00 0.00 C ATOM 630 CG LYS A 38 -10.494 0.889 -2.715 1.00 0.00 C ATOM 631 CD LYS A 38 -11.688 0.816 -3.677 1.00 0.00 C ATOM 632 CE LYS A 38 -12.965 1.335 -2.983 1.00 0.00 C ATOM 633 NZ LYS A 38 -13.205 0.584 -1.717 1.00 0.00 N ATOM 0 H LYS A 38 -6.969 0.316 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.376 1.885 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.519 -0.654 -3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.516 0.001 -2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.727 0.359 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.296 1.926 -2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.483 1.409 -4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.837 -0.212 -4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.865 2.399 -2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.821 1.223 -3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.227 0.439 -1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.727 -0.339 -1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.828 1.127 -0.914 1.00 0.00 H new ATOM 647 N TYR A 39 -7.975 3.006 -2.844 1.00 0.00 N ATOM 648 CA TYR A 39 -7.060 3.855 -2.082 1.00 0.00 C ATOM 649 C TYR A 39 -6.046 2.986 -1.333 1.00 0.00 C ATOM 650 O TYR A 39 -6.417 1.989 -0.711 1.00 0.00 O ATOM 651 CB TYR A 39 -7.858 4.706 -1.073 1.00 0.00 C ATOM 652 CG TYR A 39 -9.128 3.970 -0.696 1.00 0.00 C ATOM 653 CD1 TYR A 39 -9.085 2.930 0.239 1.00 0.00 C ATOM 654 CD2 TYR A 39 -10.339 4.311 -1.304 1.00 0.00 C ATOM 655 CE1 TYR A 39 -10.249 2.232 0.561 1.00 0.00 C ATOM 656 CE2 TYR A 39 -11.505 3.616 -0.973 1.00 0.00 C ATOM 657 CZ TYR A 39 -11.460 2.576 -0.042 1.00 0.00 C ATOM 658 OH TYR A 39 -12.608 1.875 0.263 1.00 0.00 O ATOM 0 H TYR A 39 -8.963 3.179 -2.656 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.529 4.514 -2.769 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.257 4.897 -0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -8.101 5.675 -1.508 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.150 2.668 0.712 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -10.374 5.111 -2.029 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.213 1.425 1.278 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -12.442 3.883 -1.438 1.00 0.00 H new ATOM 0 HH TYR A 39 -13.386 2.462 0.162 1.00 0.00 H new ATOM 668 N ASN A 40 -4.775 3.355 -1.402 1.00 0.00 N ATOM 669 CA ASN A 40 -3.729 2.599 -0.727 1.00 0.00 C ATOM 670 C ASN A 40 -3.864 2.727 0.781 1.00 0.00 C ATOM 671 O ASN A 40 -4.265 3.783 1.291 1.00 0.00 O ATOM 672 CB ASN A 40 -2.322 3.022 -1.192 1.00 0.00 C ATOM 673 CG ASN A 40 -1.903 4.340 -0.550 1.00 0.00 C ATOM 674 OD1 ASN A 40 -2.060 5.452 -1.205 1.00 0.00 O flip ATOM 675 ND2 ASN A 40 -1.402 4.354 0.574 1.00 0.00 N flip ATOM 0 H ASN A 40 -4.443 4.171 -1.917 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.856 1.551 -0.998 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.602 2.245 -0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.310 3.123 -2.277 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.279 3.482 1.088 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.110 5.238 0.991 1.00 0.00 H new ATOM 682 N PRO A 41 -3.620 1.657 1.488 1.00 0.00 N ATOM 683 CA PRO A 41 -3.807 1.591 2.966 1.00 0.00 C ATOM 684 C PRO A 41 -2.782 2.422 3.727 1.00 0.00 C ATOM 685 O PRO A 41 -1.675 2.660 3.245 1.00 0.00 O ATOM 686 CB PRO A 41 -3.655 0.101 3.276 1.00 0.00 C ATOM 687 CG PRO A 41 -2.747 -0.406 2.211 1.00 0.00 C ATOM 688 CD PRO A 41 -3.120 0.377 0.950 1.00 0.00 C ATOM 0 HA PRO A 41 -4.768 2.002 3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.232 -0.058 4.268 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.618 -0.410 3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.702 -0.247 2.477 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.878 -1.478 2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.260 0.523 0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.881 -0.139 0.365 1.00 0.00 H new ATOM 696 N SER A 42 -3.154 2.838 4.919 1.00 0.00 N ATOM 697 CA SER A 42 -2.288 3.629 5.770 1.00 0.00 C ATOM 698 C SER A 42 -0.972 2.891 6.014 1.00 0.00 C ATOM 699 O SER A 42 -0.891 1.673 5.822 1.00 0.00 O ATOM 700 CB SER A 42 -2.993 3.899 7.092 1.00 0.00 C ATOM 701 OG SER A 42 -4.385 4.129 6.838 1.00 0.00 O ATOM 0 H SER A 42 -4.067 2.637 5.327 1.00 0.00 H new ATOM 0 HA SER A 42 -2.066 4.577 5.279 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.868 3.051 7.766 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.552 4.765 7.584 1.00 0.00 H new ATOM 0 HG SER A 42 -4.848 4.302 7.684 1.00 0.00 H new ATOM 707 N LEU A 43 0.068 3.632 6.364 1.00 0.00 N ATOM 708 CA LEU A 43 1.397 3.051 6.494 1.00 0.00 C ATOM 709 C LEU A 43 1.416 1.968 7.558 1.00 0.00 C ATOM 710 O LEU A 43 1.911 0.870 7.315 1.00 0.00 O ATOM 711 CB LEU A 43 2.436 4.140 6.813 1.00 0.00 C ATOM 712 CG LEU A 43 3.842 3.522 6.937 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.215 2.801 5.632 1.00 0.00 C ATOM 714 CD2 LEU A 43 4.863 4.633 7.210 1.00 0.00 C ATOM 0 H LEU A 43 0.019 4.631 6.562 1.00 0.00 H new ATOM 0 HA LEU A 43 1.659 2.593 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.432 4.896 6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.170 4.644 7.742 1.00 0.00 H new ATOM 0 HG LEU A 43 3.846 2.805 7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.210 2.367 5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.492 2.010 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.208 3.514 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.859 4.198 7.298 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.851 5.348 6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.606 5.143 8.138 1.00 0.00 H new ATOM 726 N GLN A 44 0.785 2.227 8.697 1.00 0.00 N ATOM 727 CA GLN A 44 0.697 1.211 9.729 1.00 0.00 C ATOM 728 C GLN A 44 -0.005 -0.001 9.147 1.00 0.00 C ATOM 729 O GLN A 44 0.443 -1.135 9.307 1.00 0.00 O ATOM 730 CB GLN A 44 -0.120 1.740 10.913 1.00 0.00 C ATOM 731 CG GLN A 44 -0.141 0.707 12.045 1.00 0.00 C ATOM 732 CD GLN A 44 -1.281 1.021 12.997 1.00 0.00 C ATOM 733 OE1 GLN A 44 -1.065 1.316 14.172 1.00 0.00 O ATOM 734 NE2 GLN A 44 -2.491 0.987 12.549 1.00 0.00 N ATOM 0 H GLN A 44 0.336 3.114 8.924 1.00 0.00 H new ATOM 0 HA GLN A 44 1.697 0.948 10.074 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.310 2.675 11.272 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.138 1.960 10.592 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.262 -0.295 11.634 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.808 0.720 12.581 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.667 0.742 11.575 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.271 1.205 13.169 1.00 0.00 H new ATOM 743 N LEU A 45 -1.078 0.258 8.428 1.00 0.00 N ATOM 744 CA LEU A 45 -1.839 -0.793 7.785 1.00 0.00 C ATOM 745 C LEU A 45 -0.956 -1.508 6.767 1.00 0.00 C ATOM 746 O LEU A 45 -0.879 -2.737 6.747 1.00 0.00 O ATOM 747 CB LEU A 45 -3.073 -0.175 7.086 1.00 0.00 C ATOM 748 CG LEU A 45 -4.199 -1.210 6.907 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.770 -2.309 5.940 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.557 -1.829 8.263 1.00 0.00 C ATOM 0 H LEU A 45 -1.445 1.197 8.274 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.176 -1.516 8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.441 0.667 7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.781 0.219 6.112 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.072 -0.703 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.579 -3.030 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.537 -1.870 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.886 -2.813 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.354 -2.560 8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.679 -2.321 8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.893 -1.046 8.943 1.00 0.00 H new ATOM 762 N ALA A 46 -0.229 -0.725 5.976 1.00 0.00 N ATOM 763 CA ALA A 46 0.680 -1.276 4.980 1.00 0.00 C ATOM 764 C ALA A 46 1.748 -2.118 5.649 1.00 0.00 C ATOM 765 O ALA A 46 2.056 -3.228 5.201 1.00 0.00 O ATOM 766 CB ALA A 46 1.331 -0.151 4.166 1.00 0.00 C ATOM 0 H ALA A 46 -0.253 0.294 6.007 1.00 0.00 H new ATOM 0 HA ALA A 46 0.105 -1.909 4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.007 -0.581 3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.557 0.425 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.892 0.503 4.833 1.00 0.00 H new ATOM 772 N LEU A 47 2.263 -1.620 6.761 1.00 0.00 N ATOM 773 CA LEU A 47 3.261 -2.353 7.524 1.00 0.00 C ATOM 774 C LEU A 47 2.661 -3.657 8.024 1.00 0.00 C ATOM 775 O LEU A 47 3.273 -4.724 7.898 1.00 0.00 O ATOM 776 CB LEU A 47 3.754 -1.506 8.704 1.00 0.00 C ATOM 777 CG LEU A 47 4.575 -0.310 8.186 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.826 0.670 9.329 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.928 -0.802 7.649 1.00 0.00 C ATOM 0 H LEU A 47 2.008 -0.714 7.155 1.00 0.00 H new ATOM 0 HA LEU A 47 4.113 -2.575 6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.905 -1.150 9.287 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.364 -2.116 9.370 1.00 0.00 H new ATOM 0 HG LEU A 47 4.020 0.183 7.388 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.407 1.516 8.962 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.872 1.026 9.719 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.378 0.168 10.124 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.505 0.047 7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.478 -1.298 8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.762 -1.505 6.833 1.00 0.00 H new ATOM 791 N LYS A 48 1.417 -3.594 8.485 1.00 0.00 N ATOM 792 CA LYS A 48 0.722 -4.798 8.903 1.00 0.00 C ATOM 793 C LYS A 48 0.557 -5.751 7.744 1.00 0.00 C ATOM 794 O LYS A 48 0.720 -6.966 7.903 1.00 0.00 O ATOM 795 CB LYS A 48 -0.645 -4.482 9.512 1.00 0.00 C ATOM 796 CG LYS A 48 -0.448 -3.806 10.876 1.00 0.00 C ATOM 797 CD LYS A 48 -1.808 -3.520 11.517 1.00 0.00 C ATOM 798 CE LYS A 48 -1.598 -2.945 12.924 1.00 0.00 C ATOM 799 NZ LYS A 48 -2.910 -2.722 13.581 1.00 0.00 N ATOM 0 H LYS A 48 0.878 -2.733 8.577 1.00 0.00 H new ATOM 0 HA LYS A 48 1.334 -5.271 9.671 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.210 -3.828 8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.225 -5.398 9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.143 -4.449 11.528 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.109 -2.877 10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.370 -2.815 10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.397 -4.436 11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.995 -3.630 13.520 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.048 -2.006 12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.952 -1.751 13.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.673 -2.861 12.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.026 -3.397 14.364 1.00 0.00 H new ATOM 813 N ILE A 49 0.231 -5.218 6.579 1.00 0.00 N ATOM 814 CA ILE A 49 0.040 -6.071 5.428 1.00 0.00 C ATOM 815 C ILE A 49 1.354 -6.771 5.117 1.00 0.00 C ATOM 816 O ILE A 49 1.400 -7.992 4.998 1.00 0.00 O ATOM 817 CB ILE A 49 -0.433 -5.246 4.211 1.00 0.00 C ATOM 818 CG1 ILE A 49 -1.822 -4.678 4.495 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.535 -6.151 2.974 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.219 -3.699 3.385 1.00 0.00 C ATOM 0 H ILE A 49 0.096 -4.221 6.410 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.729 -6.812 5.647 1.00 0.00 H new ATOM 0 HB ILE A 49 0.282 -4.443 4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.550 -5.487 4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.827 -4.170 5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.869 -5.563 2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.442 -6.583 2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.251 -6.951 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.211 -3.297 3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.497 -2.883 3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.232 -4.220 2.428 1.00 0.00 H new ATOM 832 N ALA A 50 2.438 -6.014 5.132 1.00 0.00 N ATOM 833 CA ALA A 50 3.756 -6.595 4.931 1.00 0.00 C ATOM 834 C ALA A 50 4.058 -7.620 6.012 1.00 0.00 C ATOM 835 O ALA A 50 4.430 -8.771 5.713 1.00 0.00 O ATOM 836 CB ALA A 50 4.834 -5.501 4.937 1.00 0.00 C ATOM 0 H ALA A 50 2.433 -5.005 5.280 1.00 0.00 H new ATOM 0 HA ALA A 50 3.762 -7.092 3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.813 -5.955 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.635 -4.790 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.819 -4.981 5.895 1.00 0.00 H new ATOM 842 N TYR A 51 3.890 -7.208 7.269 1.00 0.00 N ATOM 843 CA TYR A 51 4.175 -8.089 8.393 1.00 0.00 C ATOM 844 C TYR A 51 3.284 -9.328 8.390 1.00 0.00 C ATOM 845 O TYR A 51 3.782 -10.453 8.482 1.00 0.00 O ATOM 846 CB TYR A 51 4.026 -7.334 9.726 1.00 0.00 C ATOM 847 CG TYR A 51 4.226 -8.290 10.886 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.517 -8.629 11.313 1.00 0.00 C ATOM 849 CD2 TYR A 51 3.112 -8.837 11.531 1.00 0.00 C ATOM 850 CE1 TYR A 51 5.686 -9.516 12.384 1.00 0.00 C ATOM 851 CE2 TYR A 51 3.282 -9.719 12.599 1.00 0.00 C ATOM 852 CZ TYR A 51 4.568 -10.060 13.025 1.00 0.00 C ATOM 853 OH TYR A 51 4.734 -10.935 14.079 1.00 0.00 O ATOM 0 H TYR A 51 3.561 -6.278 7.529 1.00 0.00 H new ATOM 0 HA TYR A 51 5.207 -8.423 8.284 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.755 -6.526 9.780 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.038 -6.877 9.786 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.379 -8.208 10.818 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.117 -8.576 11.201 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.680 -9.780 12.715 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.420 -10.138 13.096 1.00 0.00 H new ATOM 0 HH TYR A 51 3.856 -11.218 14.411 1.00 0.00 H new ATOM 863 N TYR A 52 1.972 -9.136 8.276 1.00 0.00 N ATOM 864 CA TYR A 52 1.052 -10.275 8.289 1.00 0.00 C ATOM 865 C TYR A 52 1.197 -11.113 7.045 1.00 0.00 C ATOM 866 O TYR A 52 1.239 -12.347 7.105 1.00 0.00 O ATOM 867 CB TYR A 52 -0.404 -9.837 8.430 1.00 0.00 C ATOM 868 CG TYR A 52 -0.667 -9.274 9.806 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.191 -9.927 10.954 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.404 -8.103 9.931 1.00 0.00 C ATOM 871 CE1 TYR A 52 -0.459 -9.394 12.217 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.670 -7.578 11.189 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.201 -8.219 12.332 1.00 0.00 C ATOM 874 OH TYR A 52 -1.467 -7.686 13.572 1.00 0.00 O ATOM 0 H TYR A 52 1.527 -8.224 8.176 1.00 0.00 H new ATOM 0 HA TYR A 52 1.321 -10.872 9.160 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.637 -9.086 7.675 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.063 -10.686 8.248 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.381 -10.839 10.861 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.771 -7.600 9.048 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.092 -9.891 13.103 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.244 -6.668 11.281 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.994 -6.866 13.469 1.00 0.00 H new ATOM 884 N LEU A 53 1.269 -10.451 5.912 1.00 0.00 N ATOM 885 CA LEU A 53 1.399 -11.152 4.655 1.00 0.00 C ATOM 886 C LEU A 53 2.703 -11.931 4.652 1.00 0.00 C ATOM 887 O LEU A 53 2.860 -12.912 3.925 1.00 0.00 O ATOM 888 CB LEU A 53 1.309 -10.173 3.462 1.00 0.00 C ATOM 889 CG LEU A 53 0.903 -10.885 2.156 1.00 0.00 C ATOM 890 CD1 LEU A 53 2.140 -11.304 1.374 1.00 0.00 C ATOM 891 CD2 LEU A 53 0.036 -12.113 2.436 1.00 0.00 C ATOM 0 H LEU A 53 1.240 -9.434 5.835 1.00 0.00 H new ATOM 0 HA LEU A 53 0.574 -11.855 4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.584 -9.392 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.272 -9.683 3.323 1.00 0.00 H new ATOM 0 HG LEU A 53 0.320 -10.179 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.837 -11.805 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.731 -10.422 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.739 -11.985 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.232 -12.591 1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.592 -12.817 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.870 -11.807 2.959 1.00 0.00 H new ATOM 903 N ASN A 54 3.656 -11.441 5.431 1.00 0.00 N ATOM 904 CA ASN A 54 4.987 -12.022 5.510 1.00 0.00 C ATOM 905 C ASN A 54 5.741 -11.725 4.234 1.00 0.00 C ATOM 906 O ASN A 54 6.074 -12.632 3.462 1.00 0.00 O ATOM 907 CB ASN A 54 4.949 -13.544 5.775 1.00 0.00 C ATOM 908 CG ASN A 54 4.311 -13.868 7.127 1.00 0.00 C ATOM 909 OD1 ASN A 54 4.146 -15.046 7.463 1.00 0.00 O ATOM 910 ND2 ASN A 54 3.933 -12.914 7.922 1.00 0.00 N ATOM 0 H ASN A 54 3.526 -10.625 6.029 1.00 0.00 H new ATOM 0 HA ASN A 54 5.501 -11.569 6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.389 -14.038 4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.963 -13.944 5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.502 -13.138 8.819 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.067 -11.940 7.650 1.00 0.00 H new ATOM 917 N THR A 55 5.914 -10.450 3.972 1.00 0.00 N ATOM 918 CA THR A 55 6.589 -9.975 2.786 1.00 0.00 C ATOM 919 C THR A 55 6.971 -8.504 2.992 1.00 0.00 C ATOM 920 O THR A 55 6.330 -7.799 3.780 1.00 0.00 O ATOM 921 CB THR A 55 5.687 -10.179 1.534 1.00 0.00 C ATOM 922 OG1 THR A 55 6.471 -10.600 0.414 1.00 0.00 O ATOM 923 CG2 THR A 55 4.915 -8.895 1.186 1.00 0.00 C ATOM 0 H THR A 55 5.586 -9.704 4.585 1.00 0.00 H new ATOM 0 HA THR A 55 7.501 -10.546 2.614 1.00 0.00 H new ATOM 0 HB THR A 55 4.962 -10.957 1.771 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.614 -9.841 -0.189 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.294 -9.070 0.307 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.282 -8.612 2.027 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.621 -8.091 0.977 1.00 0.00 H new ATOM 931 N PRO A 56 8.002 -8.040 2.341 1.00 0.00 N ATOM 932 CA PRO A 56 8.462 -6.631 2.477 1.00 0.00 C ATOM 933 C PRO A 56 7.416 -5.629 1.996 1.00 0.00 C ATOM 934 O PRO A 56 6.591 -5.929 1.133 1.00 0.00 O ATOM 935 CB PRO A 56 9.725 -6.572 1.607 1.00 0.00 C ATOM 936 CG PRO A 56 9.567 -7.691 0.637 1.00 0.00 C ATOM 937 CD PRO A 56 8.855 -8.799 1.410 1.00 0.00 C ATOM 0 HA PRO A 56 8.645 -6.362 3.517 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.809 -5.613 1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.626 -6.693 2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.985 -7.380 -0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.535 -8.030 0.266 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.268 -9.440 0.752 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.559 -9.443 1.937 1.00 0.00 H new ATOM 945 N LEU A 57 7.475 -4.441 2.559 1.00 0.00 N ATOM 946 CA LEU A 57 6.547 -3.371 2.239 1.00 0.00 C ATOM 947 C LEU A 57 6.641 -3.080 0.746 1.00 0.00 C ATOM 948 O LEU A 57 5.634 -2.876 0.076 1.00 0.00 O ATOM 949 CB LEU A 57 6.947 -2.108 3.046 1.00 0.00 C ATOM 950 CG LEU A 57 5.741 -1.180 3.293 1.00 0.00 C ATOM 951 CD1 LEU A 57 5.084 -0.784 1.977 1.00 0.00 C ATOM 952 CD2 LEU A 57 4.720 -1.878 4.194 1.00 0.00 C ATOM 0 H LEU A 57 8.173 -4.186 3.258 1.00 0.00 H new ATOM 0 HA LEU A 57 5.526 -3.657 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.376 -2.408 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.721 -1.562 2.507 1.00 0.00 H new ATOM 0 HG LEU A 57 6.099 -0.276 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.236 -0.129 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.808 -0.260 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.738 -1.679 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.871 -1.215 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.375 -2.793 3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.185 -2.123 5.149 1.00 0.00 H new ATOM 964 N GLU A 58 7.858 -3.124 0.235 1.00 0.00 N ATOM 965 CA GLU A 58 8.124 -2.871 -1.172 1.00 0.00 C ATOM 966 C GLU A 58 7.379 -3.850 -2.071 1.00 0.00 C ATOM 967 O GLU A 58 6.982 -3.489 -3.183 1.00 0.00 O ATOM 968 CB GLU A 58 9.620 -2.942 -1.458 1.00 0.00 C ATOM 969 CG GLU A 58 10.334 -1.752 -0.806 1.00 0.00 C ATOM 970 CD GLU A 58 11.835 -1.840 -1.017 1.00 0.00 C ATOM 971 OE1 GLU A 58 12.293 -2.828 -1.554 1.00 0.00 O ATOM 972 OE2 GLU A 58 12.514 -0.923 -0.633 1.00 0.00 O ATOM 0 H GLU A 58 8.692 -3.336 0.783 1.00 0.00 H new ATOM 0 HA GLU A 58 7.764 -1.866 -1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.028 -3.877 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.794 -2.936 -2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.957 -0.821 -1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.113 -1.730 0.261 1.00 0.00 H new ATOM 979 N ASP A 59 7.224 -5.097 -1.624 1.00 0.00 N ATOM 980 CA ASP A 59 6.517 -6.077 -2.448 1.00 0.00 C ATOM 981 C ASP A 59 5.102 -5.612 -2.679 1.00 0.00 C ATOM 982 O ASP A 59 4.571 -5.736 -3.782 1.00 0.00 O ATOM 983 CB ASP A 59 6.465 -7.470 -1.786 1.00 0.00 C ATOM 984 CG ASP A 59 7.711 -8.289 -2.059 1.00 0.00 C ATOM 985 OD1 ASP A 59 8.537 -7.862 -2.836 1.00 0.00 O ATOM 986 OD2 ASP A 59 7.826 -9.345 -1.481 1.00 0.00 O ATOM 0 H ASP A 59 7.565 -5.444 -0.728 1.00 0.00 H new ATOM 0 HA ASP A 59 7.064 -6.162 -3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.340 -7.353 -0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.592 -8.010 -2.152 1.00 0.00 H new ATOM 991 N ILE A 60 4.491 -5.097 -1.628 1.00 0.00 N ATOM 992 CA ILE A 60 3.112 -4.653 -1.688 1.00 0.00 C ATOM 993 C ILE A 60 2.997 -3.183 -2.101 1.00 0.00 C ATOM 994 O ILE A 60 2.238 -2.850 -3.011 1.00 0.00 O ATOM 995 CB ILE A 60 2.408 -4.930 -0.345 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.132 -4.204 0.798 1.00 0.00 C ATOM 997 CG2 ILE A 60 2.433 -6.433 -0.059 1.00 0.00 C ATOM 998 CD1 ILE A 60 2.347 -4.390 2.097 1.00 0.00 C ATOM 0 H ILE A 60 4.933 -4.976 -0.717 1.00 0.00 H new ATOM 0 HA ILE A 60 2.605 -5.226 -2.465 1.00 0.00 H new ATOM 0 HB ILE A 60 1.381 -4.571 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.142 -4.598 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.227 -3.143 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.936 -6.631 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.915 -6.964 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.466 -6.776 -0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.860 -3.875 2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.346 -3.975 1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.275 -5.452 2.329 1.00 0.00 H new ATOM 1010 N PHE A 61 3.794 -2.323 -1.483 1.00 0.00 N ATOM 1011 CA PHE A 61 3.822 -0.918 -1.862 1.00 0.00 C ATOM 1012 C PHE A 61 5.255 -0.485 -2.130 1.00 0.00 C ATOM 1013 O PHE A 61 6.041 -0.307 -1.203 1.00 0.00 O ATOM 1014 CB PHE A 61 3.179 -0.045 -0.778 1.00 0.00 C ATOM 1015 CG PHE A 61 1.784 -0.566 -0.495 1.00 0.00 C ATOM 1016 CD1 PHE A 61 0.757 -0.379 -1.428 1.00 0.00 C ATOM 1017 CD2 PHE A 61 1.524 -1.257 0.698 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -0.523 -0.879 -1.166 1.00 0.00 C ATOM 1019 CE2 PHE A 61 0.245 -1.759 0.958 1.00 0.00 C ATOM 1020 CZ PHE A 61 -0.779 -1.570 0.024 1.00 0.00 C ATOM 0 H PHE A 61 4.426 -2.571 -0.722 1.00 0.00 H new ATOM 0 HA PHE A 61 3.241 -0.790 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.781 -0.066 0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.135 0.993 -1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.953 0.151 -2.349 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.315 -1.402 1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.316 -0.731 -1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.048 -2.291 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.768 -1.957 0.221 1.00 0.00 H new ATOM 1030 N GLN A 62 5.601 -0.352 -3.399 1.00 0.00 N ATOM 1031 CA GLN A 62 6.968 0.012 -3.777 1.00 0.00 C ATOM 1032 C GLN A 62 7.153 1.516 -3.776 1.00 0.00 C ATOM 1033 O GLN A 62 6.180 2.273 -3.787 1.00 0.00 O ATOM 1034 CB GLN A 62 7.374 -0.582 -5.146 1.00 0.00 C ATOM 1035 CG GLN A 62 6.177 -0.628 -6.109 1.00 0.00 C ATOM 1036 CD GLN A 62 5.296 -1.837 -5.813 1.00 0.00 C ATOM 1037 OE1 GLN A 62 5.749 -2.980 -5.925 1.00 0.00 O ATOM 1038 NE2 GLN A 62 4.060 -1.659 -5.457 1.00 0.00 N ATOM 0 H GLN A 62 4.964 -0.488 -4.184 1.00 0.00 H new ATOM 0 HA GLN A 62 7.628 -0.420 -3.024 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.173 0.017 -5.583 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.770 -1.588 -5.006 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.592 0.287 -6.015 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.533 -0.674 -7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.687 -0.714 -5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.462 -2.464 -5.270 1.00 0.00 H new ATOM 1047 N TRP A 63 8.390 1.946 -3.850 1.00 0.00 N ATOM 1048 CA TRP A 63 8.704 3.362 -3.907 1.00 0.00 C ATOM 1049 C TRP A 63 8.759 3.791 -5.359 1.00 0.00 C ATOM 1050 O TRP A 63 9.798 3.697 -6.005 1.00 0.00 O ATOM 1051 CB TRP A 63 10.054 3.634 -3.213 1.00 0.00 C ATOM 1052 CG TRP A 63 10.221 2.695 -2.056 1.00 0.00 C ATOM 1053 CD1 TRP A 63 11.259 1.848 -1.889 1.00 0.00 C ATOM 1054 CD2 TRP A 63 9.336 2.482 -0.919 1.00 0.00 C ATOM 1055 NE1 TRP A 63 11.074 1.141 -0.714 1.00 0.00 N ATOM 1056 CE2 TRP A 63 9.901 1.493 -0.081 1.00 0.00 C ATOM 1057 CE3 TRP A 63 8.113 3.049 -0.536 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 9.273 1.080 1.094 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 7.477 2.636 0.646 1.00 0.00 C ATOM 1060 CH2 TRP A 63 8.056 1.655 1.460 1.00 0.00 C ATOM 0 H TRP A 63 9.205 1.333 -3.873 1.00 0.00 H new ATOM 0 HA TRP A 63 7.934 3.933 -3.388 1.00 0.00 H new ATOM 0 HB2 TRP A 63 10.872 3.504 -3.922 1.00 0.00 H new ATOM 0 HB3 TRP A 63 10.095 4.666 -2.866 1.00 0.00 H new ATOM 0 HD1 TRP A 63 12.097 1.740 -2.562 1.00 0.00 H new ATOM 0 HE1 TRP A 63 11.727 0.443 -0.359 1.00 0.00 H new ATOM 0 HE3 TRP A 63 7.657 3.808 -1.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 9.725 0.321 1.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 6.534 3.079 0.929 1.00 0.00 H new ATOM 0 HH2 TRP A 63 7.562 1.344 2.369 1.00 0.00 H new ATOM 1071 N GLN A 64 7.607 4.149 -5.896 1.00 0.00 N ATOM 1072 CA GLN A 64 7.480 4.456 -7.313 1.00 0.00 C ATOM 1073 C GLN A 64 8.028 5.840 -7.655 1.00 0.00 C ATOM 1074 O GLN A 64 7.412 6.848 -7.327 1.00 0.00 O ATOM 1075 CB GLN A 64 6.010 4.359 -7.737 1.00 0.00 C ATOM 1076 CG GLN A 64 5.520 2.914 -7.566 1.00 0.00 C ATOM 1077 CD GLN A 64 4.336 2.855 -6.621 1.00 0.00 C ATOM 1078 OE1 GLN A 64 3.277 3.409 -6.911 1.00 0.00 O ATOM 1079 NE2 GLN A 64 4.449 2.224 -5.490 1.00 0.00 N ATOM 0 H GLN A 64 6.738 4.235 -5.369 1.00 0.00 H new ATOM 0 HA GLN A 64 8.074 3.724 -7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.402 5.034 -7.135 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.899 4.671 -8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.238 2.504 -8.536 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.330 2.294 -7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.327 1.764 -5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.660 2.189 -4.845 1.00 0.00 H new ATOM 1088 N PRO A 65 9.125 5.906 -8.383 1.00 0.00 N ATOM 1089 CA PRO A 65 9.665 7.205 -8.897 1.00 0.00 C ATOM 1090 C PRO A 65 8.755 7.760 -9.988 1.00 0.00 C ATOM 1091 O PRO A 65 8.891 8.919 -10.410 1.00 0.00 O ATOM 1092 CB PRO A 65 11.035 6.828 -9.472 1.00 0.00 C ATOM 1093 CG PRO A 65 10.913 5.381 -9.830 1.00 0.00 C ATOM 1094 CD PRO A 65 9.976 4.763 -8.789 1.00 0.00 C ATOM 0 HA PRO A 65 9.730 7.975 -8.129 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.277 7.433 -10.346 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.828 6.990 -8.742 1.00 0.00 H new ATOM 0 HG2 PRO A 65 10.511 5.261 -10.836 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.887 4.893 -9.816 1.00 0.00 H new ATOM 0 HD2 PRO A 65 9.385 3.950 -9.211 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.528 4.351 -7.944 1.00 0.00 H new ATOM 1102 N GLU A 66 7.912 6.881 -10.509 1.00 0.00 N ATOM 1103 CA GLU A 66 7.015 7.191 -11.609 1.00 0.00 C ATOM 1104 C GLU A 66 5.983 8.247 -11.196 1.00 0.00 C ATOM 1105 O GLU A 66 5.235 8.673 -12.039 1.00 0.00 O ATOM 1106 CB GLU A 66 6.302 5.909 -12.042 1.00 0.00 C ATOM 1107 CG GLU A 66 7.331 4.923 -12.621 1.00 0.00 C ATOM 1108 CD GLU A 66 6.691 3.577 -12.924 1.00 0.00 C ATOM 1109 OE1 GLU A 66 5.513 3.426 -12.697 1.00 0.00 O ATOM 1110 OE2 GLU A 66 7.394 2.705 -13.375 1.00 0.00 O ATOM 1111 OXT GLU A 66 5.957 8.610 -10.044 1.00 0.00 O ATOM 0 H GLU A 66 7.832 5.921 -10.175 1.00 0.00 H new ATOM 0 HA GLU A 66 7.597 7.595 -12.437 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.790 5.459 -11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.541 6.137 -12.788 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.763 5.337 -13.532 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.149 4.789 -11.913 1.00 0.00 H new TER 1118 GLU A 66