USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 522 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 ASN : amide:sc= -0.304 K(o=-0.3,f=-2.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 41:sc= 0.658 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -143:sc= -0.399 (180deg=-1.46) USER MOD Single : A 10 MET CE :methyl -166:sc= -3.7 (180deg=-3.92!) USER MOD Single : A 11 GLN :FLIP amide:sc= -1.98 F(o=-3.6!,f=-2) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -4.03! C(o=-4!,f=-4.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS :FLIP no HD1:sc= 0.265 F(o=-2.1!,f=0.27) USER MOD Single : A 38 SER OG : rot -53:sc= 0.25 USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.468) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.638 K(o=-0.64,f=-11!) USER MOD Single : A 51 SER OG : rot 27:sc= 0.0414 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.114 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.565 2.371 10.032 1.00 0.00 N ATOM 2 CA GLY A 1 14.906 2.875 9.797 1.00 0.00 C ATOM 3 C GLY A 1 14.957 4.389 9.749 1.00 0.00 C ATOM 4 O GLY A 1 15.172 4.977 8.689 1.00 0.00 O ATOM 0 H1 GLY A 1 13.584 1.331 10.056 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.213 2.732 10.942 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.936 2.688 9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.568 2.517 10.585 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.283 2.472 8.857 1.00 0.00 H new ATOM 8 N SER A 2 14.756 5.022 10.900 1.00 0.00 N ATOM 9 CA SER A 2 14.774 6.478 10.985 1.00 0.00 C ATOM 10 C SER A 2 15.844 7.062 10.068 1.00 0.00 C ATOM 11 O SER A 2 15.691 8.163 9.540 1.00 0.00 O ATOM 12 CB SER A 2 15.024 6.923 12.427 1.00 0.00 C ATOM 13 OG SER A 2 16.403 6.859 12.749 1.00 0.00 O ATOM 0 H SER A 2 14.579 4.550 11.787 1.00 0.00 H new ATOM 0 HA SER A 2 13.801 6.848 10.662 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.662 7.942 12.564 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.458 6.289 13.110 1.00 0.00 H new ATOM 0 HG SER A 2 16.537 7.150 13.675 1.00 0.00 H new ATOM 19 N SER A 3 16.929 6.316 9.884 1.00 0.00 N ATOM 20 CA SER A 3 18.027 6.760 9.034 1.00 0.00 C ATOM 21 C SER A 3 17.874 6.213 7.618 1.00 0.00 C ATOM 22 O SER A 3 18.197 5.057 7.348 1.00 0.00 O ATOM 23 CB SER A 3 19.367 6.315 9.622 1.00 0.00 C ATOM 24 OG SER A 3 19.405 4.909 9.798 1.00 0.00 O ATOM 0 H SER A 3 17.071 5.401 10.312 1.00 0.00 H new ATOM 0 HA SER A 3 18.001 7.849 8.989 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.178 6.624 8.962 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.529 6.809 10.580 1.00 0.00 H new ATOM 0 HG SER A 3 18.988 4.471 9.027 1.00 0.00 H new ATOM 30 N GLY A 4 17.378 7.055 6.716 1.00 0.00 N ATOM 31 CA GLY A 4 17.189 6.639 5.338 1.00 0.00 C ATOM 32 C GLY A 4 16.128 7.455 4.626 1.00 0.00 C ATOM 33 O GLY A 4 15.931 8.631 4.931 1.00 0.00 O ATOM 0 H GLY A 4 17.104 8.017 6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.134 6.730 4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.909 5.586 5.315 1.00 0.00 H new ATOM 37 N SER A 5 15.444 6.830 3.673 1.00 0.00 N ATOM 38 CA SER A 5 14.401 7.507 2.911 1.00 0.00 C ATOM 39 C SER A 5 13.068 7.454 3.650 1.00 0.00 C ATOM 40 O SER A 5 12.883 6.651 4.564 1.00 0.00 O ATOM 41 CB SER A 5 14.257 6.872 1.527 1.00 0.00 C ATOM 42 OG SER A 5 13.644 5.596 1.614 1.00 0.00 O ATOM 0 H SER A 5 15.593 5.856 3.410 1.00 0.00 H new ATOM 0 HA SER A 5 14.690 8.551 2.794 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.662 7.522 0.885 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.239 6.777 1.063 1.00 0.00 H new ATOM 0 HG SER A 5 13.561 5.211 0.717 1.00 0.00 H new ATOM 48 N SER A 6 12.140 8.317 3.247 1.00 0.00 N ATOM 49 CA SER A 6 10.824 8.372 3.872 1.00 0.00 C ATOM 50 C SER A 6 10.029 7.103 3.578 1.00 0.00 C ATOM 51 O SER A 6 10.259 6.432 2.573 1.00 0.00 O ATOM 52 CB SER A 6 10.052 9.597 3.377 1.00 0.00 C ATOM 53 OG SER A 6 9.888 9.562 1.970 1.00 0.00 O ATOM 0 H SER A 6 12.276 8.987 2.490 1.00 0.00 H new ATOM 0 HA SER A 6 10.964 8.450 4.950 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.075 9.635 3.859 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.583 10.505 3.662 1.00 0.00 H new ATOM 0 HG SER A 6 9.390 10.354 1.679 1.00 0.00 H new ATOM 59 N GLY A 7 9.093 6.780 4.465 1.00 0.00 N ATOM 60 CA GLY A 7 8.278 5.593 4.284 1.00 0.00 C ATOM 61 C GLY A 7 6.916 5.908 3.698 1.00 0.00 C ATOM 62 O GLY A 7 6.705 6.987 3.142 1.00 0.00 O ATOM 0 H GLY A 7 8.885 7.319 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.799 4.895 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.150 5.094 5.245 1.00 0.00 H new ATOM 66 N LEU A 8 5.988 4.965 3.820 1.00 0.00 N ATOM 67 CA LEU A 8 4.639 5.147 3.296 1.00 0.00 C ATOM 68 C LEU A 8 3.651 4.227 4.006 1.00 0.00 C ATOM 69 O LEU A 8 3.960 3.070 4.295 1.00 0.00 O ATOM 70 CB LEU A 8 4.614 4.878 1.791 1.00 0.00 C ATOM 71 CG LEU A 8 3.269 4.441 1.209 1.00 0.00 C ATOM 72 CD1 LEU A 8 2.303 5.615 1.158 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.457 3.842 -0.177 1.00 0.00 C ATOM 0 H LEU A 8 6.145 4.067 4.277 1.00 0.00 H new ATOM 0 HA LEU A 8 4.341 6.180 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.933 5.784 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.351 4.107 1.568 1.00 0.00 H new ATOM 0 HG LEU A 8 2.845 3.676 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.351 5.285 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.144 5.999 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.720 6.403 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.490 3.537 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.903 4.586 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.113 2.974 -0.112 1.00 0.00 H new ATOM 85 N LYS A 9 2.459 4.746 4.281 1.00 0.00 N ATOM 86 CA LYS A 9 1.423 3.971 4.953 1.00 0.00 C ATOM 87 C LYS A 9 0.237 3.729 4.026 1.00 0.00 C ATOM 88 O LYS A 9 -0.306 4.665 3.441 1.00 0.00 O ATOM 89 CB LYS A 9 0.956 4.694 6.219 1.00 0.00 C ATOM 90 CG LYS A 9 1.814 4.404 7.438 1.00 0.00 C ATOM 91 CD LYS A 9 1.296 3.203 8.211 1.00 0.00 C ATOM 92 CE LYS A 9 1.889 1.904 7.686 1.00 0.00 C ATOM 93 NZ LYS A 9 1.804 0.809 8.692 1.00 0.00 N ATOM 0 H LYS A 9 2.187 5.701 4.048 1.00 0.00 H new ATOM 0 HA LYS A 9 1.848 3.006 5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.954 5.768 6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.073 4.406 6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.842 4.221 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.830 5.278 8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.541 3.315 9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.209 3.164 8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.364 1.605 6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.932 2.065 7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.659 0.219 8.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.727 1.218 9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.967 0.224 8.498 1.00 0.00 H new ATOM 107 N MET A 10 -0.161 2.467 3.898 1.00 0.00 N ATOM 108 CA MET A 10 -1.285 2.104 3.043 1.00 0.00 C ATOM 109 C MET A 10 -2.218 1.131 3.757 1.00 0.00 C ATOM 110 O MET A 10 -1.882 0.599 4.815 1.00 0.00 O ATOM 111 CB MET A 10 -0.782 1.482 1.739 1.00 0.00 C ATOM 112 CG MET A 10 -0.075 2.472 0.827 1.00 0.00 C ATOM 113 SD MET A 10 -1.204 3.298 -0.310 1.00 0.00 S ATOM 114 CE MET A 10 -1.678 1.933 -1.368 1.00 0.00 C ATOM 0 H MET A 10 0.278 1.680 4.375 1.00 0.00 H new ATOM 0 HA MET A 10 -1.842 3.012 2.812 1.00 0.00 H new ATOM 0 HB2 MET A 10 -0.099 0.666 1.975 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.626 1.047 1.204 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.434 3.220 1.435 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.692 1.950 0.256 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.169 2.319 -2.261 1.00 0.00 H new ATOM 0 HE2 MET A 10 -0.790 1.371 -1.656 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.364 1.278 -0.831 1.00 0.00 H new ATOM 124 N GLN A 11 -3.390 0.904 3.172 1.00 0.00 N ATOM 125 CA GLN A 11 -4.371 -0.004 3.753 1.00 0.00 C ATOM 126 C GLN A 11 -4.729 -1.118 2.775 1.00 0.00 C ATOM 127 O GLN A 11 -4.611 -0.954 1.561 1.00 0.00 O ATOM 128 CB GLN A 11 -5.632 0.762 4.155 1.00 0.00 C ATOM 129 CG GLN A 11 -6.177 1.656 3.053 1.00 0.00 C ATOM 130 CD GLN A 11 -7.129 2.713 3.577 1.00 0.00 C ATOM 131 OE1 GLN A 11 -7.039 3.918 3.025 1.00 0.00 O flip ATOM 132 NE2 GLN A 11 -7.937 2.451 4.468 1.00 0.00 N flip ATOM 0 H GLN A 11 -3.683 1.337 2.296 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.929 -0.454 4.642 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.403 0.049 4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.413 1.372 5.031 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.347 2.142 2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.692 1.042 2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.972 1.512 4.864 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.571 3.173 4.810 1.00 0.00 H new ATOM 141 N VAL A 12 -5.166 -2.253 3.312 1.00 0.00 N ATOM 142 CA VAL A 12 -5.542 -3.394 2.487 1.00 0.00 C ATOM 143 C VAL A 12 -6.989 -3.283 2.021 1.00 0.00 C ATOM 144 O VAL A 12 -7.890 -3.010 2.816 1.00 0.00 O ATOM 145 CB VAL A 12 -5.360 -4.721 3.247 1.00 0.00 C ATOM 146 CG1 VAL A 12 -5.662 -5.904 2.339 1.00 0.00 C ATOM 147 CG2 VAL A 12 -3.952 -4.821 3.814 1.00 0.00 C ATOM 0 H VAL A 12 -5.268 -2.406 4.315 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.882 -3.387 1.619 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.065 -4.742 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.528 -6.832 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.691 -5.838 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.984 -5.890 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.841 -5.765 4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.228 -4.777 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.777 -3.993 4.501 1.00 0.00 H new ATOM 157 N LEU A 13 -7.207 -3.496 0.728 1.00 0.00 N ATOM 158 CA LEU A 13 -8.546 -3.421 0.155 1.00 0.00 C ATOM 159 C LEU A 13 -9.189 -4.802 0.089 1.00 0.00 C ATOM 160 O LEU A 13 -10.412 -4.933 0.149 1.00 0.00 O ATOM 161 CB LEU A 13 -8.490 -2.804 -1.244 1.00 0.00 C ATOM 162 CG LEU A 13 -9.742 -2.055 -1.699 1.00 0.00 C ATOM 163 CD1 LEU A 13 -10.052 -0.907 -0.750 1.00 0.00 C ATOM 164 CD2 LEU A 13 -9.570 -1.542 -3.121 1.00 0.00 C ATOM 0 H LEU A 13 -6.473 -3.722 0.056 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.155 -2.788 0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.646 -2.116 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.286 -3.599 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.582 -2.749 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.947 -0.385 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.220 -1.299 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.212 -0.213 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.471 -1.011 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.718 -0.864 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.398 -2.383 -3.793 1.00 0.00 H new ATOM 176 N TYR A 14 -8.357 -5.831 -0.033 1.00 0.00 N ATOM 177 CA TYR A 14 -8.845 -7.203 -0.107 1.00 0.00 C ATOM 178 C TYR A 14 -7.856 -8.168 0.540 1.00 0.00 C ATOM 179 O TYR A 14 -6.643 -8.012 0.407 1.00 0.00 O ATOM 180 CB TYR A 14 -9.085 -7.603 -1.564 1.00 0.00 C ATOM 181 CG TYR A 14 -9.863 -6.575 -2.353 1.00 0.00 C ATOM 182 CD1 TYR A 14 -11.252 -6.556 -2.329 1.00 0.00 C ATOM 183 CD2 TYR A 14 -9.209 -5.621 -3.124 1.00 0.00 C ATOM 184 CE1 TYR A 14 -11.967 -5.619 -3.049 1.00 0.00 C ATOM 185 CE2 TYR A 14 -9.915 -4.679 -3.847 1.00 0.00 C ATOM 186 CZ TYR A 14 -11.294 -4.683 -3.806 1.00 0.00 C ATOM 187 OH TYR A 14 -12.002 -3.746 -4.525 1.00 0.00 O ATOM 0 H TYR A 14 -7.342 -5.741 -0.083 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.787 -7.257 0.438 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.123 -7.770 -2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.623 -8.551 -1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.782 -7.287 -1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.130 -5.616 -3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -13.047 -5.619 -3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.391 -3.944 -4.440 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.378 -3.160 -5.003 1.00 0.00 H new ATOM 197 N GLU A 15 -8.386 -9.165 1.242 1.00 0.00 N ATOM 198 CA GLU A 15 -7.550 -10.156 1.911 1.00 0.00 C ATOM 199 C GLU A 15 -6.707 -10.928 0.900 1.00 0.00 C ATOM 200 O GLU A 15 -7.066 -11.033 -0.273 1.00 0.00 O ATOM 201 CB GLU A 15 -8.417 -11.126 2.716 1.00 0.00 C ATOM 202 CG GLU A 15 -9.237 -10.452 3.803 1.00 0.00 C ATOM 203 CD GLU A 15 -10.540 -11.174 4.082 1.00 0.00 C ATOM 204 OE1 GLU A 15 -10.509 -12.199 4.796 1.00 0.00 O ATOM 205 OE2 GLU A 15 -11.591 -10.715 3.588 1.00 0.00 O ATOM 0 H GLU A 15 -9.389 -9.308 1.362 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.879 -9.630 2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.090 -11.648 2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.776 -11.881 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.649 -10.404 4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.451 -9.425 3.507 1.00 0.00 H new ATOM 212 N PHE A 16 -5.583 -11.465 1.363 1.00 0.00 N ATOM 213 CA PHE A 16 -4.687 -12.226 0.501 1.00 0.00 C ATOM 214 C PHE A 16 -3.901 -13.256 1.306 1.00 0.00 C ATOM 215 O PHE A 16 -3.328 -12.938 2.348 1.00 0.00 O ATOM 216 CB PHE A 16 -3.722 -11.286 -0.225 1.00 0.00 C ATOM 217 CG PHE A 16 -2.631 -12.002 -0.966 1.00 0.00 C ATOM 218 CD1 PHE A 16 -2.923 -12.776 -2.078 1.00 0.00 C ATOM 219 CD2 PHE A 16 -1.312 -11.902 -0.552 1.00 0.00 C ATOM 220 CE1 PHE A 16 -1.920 -13.437 -2.762 1.00 0.00 C ATOM 221 CE2 PHE A 16 -0.305 -12.561 -1.233 1.00 0.00 C ATOM 222 CZ PHE A 16 -0.610 -13.328 -2.340 1.00 0.00 C ATOM 0 H PHE A 16 -5.271 -11.387 2.331 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.294 -12.753 -0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.285 -10.672 -0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.273 -10.608 0.501 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.946 -12.864 -2.414 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.068 -11.302 0.312 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.161 -14.038 -3.626 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.719 -12.476 -0.900 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.175 -13.842 -2.875 1.00 0.00 H new ATOM 232 N GLU A 17 -3.881 -14.492 0.816 1.00 0.00 N ATOM 233 CA GLU A 17 -3.168 -15.569 1.492 1.00 0.00 C ATOM 234 C GLU A 17 -1.815 -15.823 0.832 1.00 0.00 C ATOM 235 O GLU A 17 -1.730 -16.489 -0.198 1.00 0.00 O ATOM 236 CB GLU A 17 -4.002 -16.852 1.477 1.00 0.00 C ATOM 237 CG GLU A 17 -3.493 -17.920 2.430 1.00 0.00 C ATOM 238 CD GLU A 17 -4.025 -19.300 2.097 1.00 0.00 C ATOM 239 OE1 GLU A 17 -3.567 -19.886 1.094 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.900 -19.795 2.839 1.00 0.00 O ATOM 0 H GLU A 17 -4.350 -14.772 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.999 -15.266 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.033 -16.608 1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.014 -17.256 0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.404 -17.938 2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.781 -17.660 3.449 1.00 0.00 H new ATOM 247 N ALA A 18 -0.760 -15.285 1.435 1.00 0.00 N ATOM 248 CA ALA A 18 0.589 -15.453 0.909 1.00 0.00 C ATOM 249 C ALA A 18 0.918 -16.928 0.703 1.00 0.00 C ATOM 250 O ALA A 18 0.978 -17.700 1.660 1.00 0.00 O ATOM 251 CB ALA A 18 1.604 -14.809 1.842 1.00 0.00 C ATOM 0 H ALA A 18 -0.814 -14.729 2.288 1.00 0.00 H new ATOM 0 HA ALA A 18 0.638 -14.958 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.607 -14.942 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.389 -13.745 1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.544 -15.278 2.824 1.00 0.00 H new ATOM 257 N ARG A 19 1.130 -17.313 -0.552 1.00 0.00 N ATOM 258 CA ARG A 19 1.451 -18.696 -0.883 1.00 0.00 C ATOM 259 C ARG A 19 2.961 -18.910 -0.917 1.00 0.00 C ATOM 260 O ARG A 19 3.449 -20.001 -0.624 1.00 0.00 O ATOM 261 CB ARG A 19 0.841 -19.074 -2.234 1.00 0.00 C ATOM 262 CG ARG A 19 1.332 -18.213 -3.386 1.00 0.00 C ATOM 263 CD ARG A 19 0.267 -18.058 -4.460 1.00 0.00 C ATOM 264 NE ARG A 19 0.627 -17.043 -5.446 1.00 0.00 N ATOM 265 CZ ARG A 19 0.133 -17.009 -6.679 1.00 0.00 C ATOM 266 NH1 ARG A 19 -0.737 -17.927 -7.074 1.00 0.00 N ATOM 267 NH2 ARG A 19 0.510 -16.053 -7.519 1.00 0.00 N ATOM 0 H ARG A 19 1.085 -16.686 -1.356 1.00 0.00 H new ATOM 0 HA ARG A 19 1.028 -19.336 -0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.071 -20.118 -2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.244 -18.994 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.618 -17.230 -3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.226 -18.660 -3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.117 -19.014 -4.962 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.681 -17.790 -3.994 1.00 0.00 H new ATOM 0 HE ARG A 19 1.294 -16.321 -5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.029 -18.663 -6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.114 -17.898 -8.021 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.179 -15.344 -7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.131 -16.027 -8.466 1.00 0.00 H new ATOM 281 N ASN A 20 3.695 -17.862 -1.276 1.00 0.00 N ATOM 282 CA ASN A 20 5.149 -17.936 -1.349 1.00 0.00 C ATOM 283 C ASN A 20 5.776 -17.694 0.021 1.00 0.00 C ATOM 284 O ASN A 20 5.208 -17.021 0.881 1.00 0.00 O ATOM 285 CB ASN A 20 5.683 -16.913 -2.354 1.00 0.00 C ATOM 286 CG ASN A 20 4.875 -16.887 -3.637 1.00 0.00 C ATOM 287 OD1 ASN A 20 4.239 -17.875 -4.003 1.00 0.00 O ATOM 288 ND2 ASN A 20 4.898 -15.753 -4.327 1.00 0.00 N ATOM 0 H ASN A 20 3.306 -16.951 -1.521 1.00 0.00 H new ATOM 0 HA ASN A 20 5.420 -18.938 -1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.671 -15.922 -1.900 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.722 -17.145 -2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.374 -15.676 -5.199 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.439 -14.959 -3.985 1.00 0.00 H new ATOM 295 N PRO A 21 6.976 -18.256 0.230 1.00 0.00 N ATOM 296 CA PRO A 21 7.706 -18.115 1.493 1.00 0.00 C ATOM 297 C PRO A 21 8.224 -16.697 1.708 1.00 0.00 C ATOM 298 O PRO A 21 8.649 -16.342 2.808 1.00 0.00 O ATOM 299 CB PRO A 21 8.874 -19.093 1.338 1.00 0.00 C ATOM 300 CG PRO A 21 9.075 -19.212 -0.133 1.00 0.00 C ATOM 301 CD PRO A 21 7.712 -19.072 -0.750 1.00 0.00 C ATOM 0 HA PRO A 21 7.072 -18.320 2.356 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.771 -18.719 1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.643 -20.060 1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.750 -18.438 -0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.523 -20.172 -0.389 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.760 -18.584 -1.724 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.238 -20.042 -0.902 1.00 0.00 H new ATOM 309 N ARG A 22 8.185 -15.891 0.652 1.00 0.00 N ATOM 310 CA ARG A 22 8.651 -14.512 0.726 1.00 0.00 C ATOM 311 C ARG A 22 7.476 -13.548 0.857 1.00 0.00 C ATOM 312 O ARG A 22 7.665 -12.341 1.007 1.00 0.00 O ATOM 313 CB ARG A 22 9.475 -14.163 -0.514 1.00 0.00 C ATOM 314 CG ARG A 22 8.651 -14.077 -1.789 1.00 0.00 C ATOM 315 CD ARG A 22 9.486 -13.579 -2.959 1.00 0.00 C ATOM 316 NE ARG A 22 8.994 -14.088 -4.237 1.00 0.00 N ATOM 317 CZ ARG A 22 9.601 -13.867 -5.398 1.00 0.00 C ATOM 318 NH1 ARG A 22 10.716 -13.151 -5.441 1.00 0.00 N ATOM 319 NH2 ARG A 22 9.092 -14.364 -6.518 1.00 0.00 N ATOM 0 H ARG A 22 7.835 -16.169 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 22 9.280 -14.414 1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.976 -13.209 -0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.254 -14.914 -0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.241 -15.059 -2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.805 -13.407 -1.633 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.475 -12.489 -2.974 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.523 -13.886 -2.821 1.00 0.00 H new ATOM 0 HE ARG A 22 8.138 -14.643 -4.238 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.110 -12.768 -4.581 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.180 -12.983 -6.334 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.235 -14.916 -6.488 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.558 -14.194 -7.409 1.00 0.00 H new ATOM 333 N GLU A 23 6.263 -14.089 0.799 1.00 0.00 N ATOM 334 CA GLU A 23 5.058 -13.276 0.910 1.00 0.00 C ATOM 335 C GLU A 23 4.580 -13.205 2.358 1.00 0.00 C ATOM 336 O GLU A 23 5.166 -13.825 3.248 1.00 0.00 O ATOM 337 CB GLU A 23 3.949 -13.844 0.023 1.00 0.00 C ATOM 338 CG GLU A 23 4.069 -13.439 -1.436 1.00 0.00 C ATOM 339 CD GLU A 23 3.105 -14.192 -2.332 1.00 0.00 C ATOM 340 OE1 GLU A 23 2.203 -14.869 -1.796 1.00 0.00 O ATOM 341 OE2 GLU A 23 3.253 -14.105 -3.569 1.00 0.00 O ATOM 0 H GLU A 23 6.089 -15.086 0.676 1.00 0.00 H new ATOM 0 HA GLU A 23 5.300 -12.267 0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.962 -14.932 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.984 -13.512 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.884 -12.369 -1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.089 -13.617 -1.776 1.00 0.00 H new ATOM 348 N LEU A 24 3.514 -12.446 2.587 1.00 0.00 N ATOM 349 CA LEU A 24 2.957 -12.294 3.926 1.00 0.00 C ATOM 350 C LEU A 24 1.434 -12.236 3.879 1.00 0.00 C ATOM 351 O LEU A 24 0.853 -11.509 3.072 1.00 0.00 O ATOM 352 CB LEU A 24 3.506 -11.028 4.587 1.00 0.00 C ATOM 353 CG LEU A 24 2.861 -10.631 5.915 1.00 0.00 C ATOM 354 CD1 LEU A 24 3.445 -11.446 7.058 1.00 0.00 C ATOM 355 CD2 LEU A 24 3.044 -9.142 6.172 1.00 0.00 C ATOM 0 H LEU A 24 3.018 -11.926 1.863 1.00 0.00 H new ATOM 0 HA LEU A 24 3.251 -13.162 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.575 -11.162 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.392 -10.199 3.889 1.00 0.00 H new ATOM 0 HG LEU A 24 1.793 -10.841 5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.973 -11.149 7.995 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.262 -12.506 6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.519 -11.268 7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.579 -8.877 7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.108 -8.908 6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.577 -8.574 5.368 1.00 0.00 H new ATOM 367 N THR A 25 0.790 -13.006 4.751 1.00 0.00 N ATOM 368 CA THR A 25 -0.666 -13.042 4.810 1.00 0.00 C ATOM 369 C THR A 25 -1.226 -11.742 5.376 1.00 0.00 C ATOM 370 O THR A 25 -0.818 -11.293 6.448 1.00 0.00 O ATOM 371 CB THR A 25 -1.165 -14.219 5.669 1.00 0.00 C ATOM 372 OG1 THR A 25 -0.565 -15.440 5.223 1.00 0.00 O ATOM 373 CG2 THR A 25 -2.679 -14.337 5.599 1.00 0.00 C ATOM 0 H THR A 25 1.254 -13.613 5.426 1.00 0.00 H new ATOM 0 HA THR A 25 -1.020 -13.172 3.787 1.00 0.00 H new ATOM 0 HB THR A 25 -0.879 -14.031 6.704 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.886 -16.183 5.775 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.007 -15.175 6.214 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.133 -13.417 5.967 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.984 -14.503 4.566 1.00 0.00 H new ATOM 381 N VAL A 26 -2.163 -11.140 4.650 1.00 0.00 N ATOM 382 CA VAL A 26 -2.780 -9.892 5.080 1.00 0.00 C ATOM 383 C VAL A 26 -4.299 -9.967 4.982 1.00 0.00 C ATOM 384 O VAL A 26 -4.846 -10.843 4.311 1.00 0.00 O ATOM 385 CB VAL A 26 -2.281 -8.700 4.242 1.00 0.00 C ATOM 386 CG1 VAL A 26 -0.766 -8.585 4.326 1.00 0.00 C ATOM 387 CG2 VAL A 26 -2.734 -8.840 2.796 1.00 0.00 C ATOM 0 H VAL A 26 -2.511 -11.497 3.760 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.493 -9.740 6.121 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.714 -7.786 4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.432 -7.737 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.469 -8.436 5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.310 -9.499 3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.373 -7.990 2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.331 -9.762 2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.823 -8.869 2.757 1.00 0.00 H new ATOM 397 N VAL A 27 -4.977 -9.043 5.655 1.00 0.00 N ATOM 398 CA VAL A 27 -6.435 -9.004 5.643 1.00 0.00 C ATOM 399 C VAL A 27 -6.944 -7.636 5.200 1.00 0.00 C ATOM 400 O VAL A 27 -6.188 -6.665 5.162 1.00 0.00 O ATOM 401 CB VAL A 27 -7.017 -9.332 7.030 1.00 0.00 C ATOM 402 CG1 VAL A 27 -6.718 -10.774 7.408 1.00 0.00 C ATOM 403 CG2 VAL A 27 -6.470 -8.373 8.078 1.00 0.00 C ATOM 0 H VAL A 27 -4.540 -8.311 6.215 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.766 -9.760 4.931 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.099 -9.210 6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.137 -10.987 8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.163 -11.443 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.639 -10.927 7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.892 -8.619 9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.384 -8.461 8.120 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.741 -7.351 7.813 1.00 0.00 H new ATOM 413 N GLN A 28 -8.229 -7.568 4.868 1.00 0.00 N ATOM 414 CA GLN A 28 -8.838 -6.319 4.427 1.00 0.00 C ATOM 415 C GLN A 28 -9.005 -5.353 5.596 1.00 0.00 C ATOM 416 O GLN A 28 -9.230 -5.770 6.732 1.00 0.00 O ATOM 417 CB GLN A 28 -10.196 -6.591 3.778 1.00 0.00 C ATOM 418 CG GLN A 28 -10.968 -5.328 3.431 1.00 0.00 C ATOM 419 CD GLN A 28 -12.452 -5.583 3.248 1.00 0.00 C ATOM 420 OE1 GLN A 28 -12.852 -6.580 2.645 1.00 0.00 O ATOM 421 NE2 GLN A 28 -13.276 -4.682 3.768 1.00 0.00 N ATOM 0 H GLN A 28 -8.868 -8.363 4.896 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.177 -5.861 3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.045 -7.176 2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.797 -7.200 4.453 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.825 -4.590 4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.561 -4.898 2.516 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.900 -3.871 4.260 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.285 -4.801 3.676 1.00 0.00 H new ATOM 430 N GLY A 29 -8.893 -4.060 5.309 1.00 0.00 N ATOM 431 CA GLY A 29 -9.033 -3.055 6.347 1.00 0.00 C ATOM 432 C GLY A 29 -7.750 -2.843 7.126 1.00 0.00 C ATOM 433 O GLY A 29 -7.520 -1.765 7.673 1.00 0.00 O ATOM 0 H GLY A 29 -8.708 -3.690 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.340 -2.112 5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.826 -3.354 7.033 1.00 0.00 H new ATOM 437 N GLU A 30 -6.913 -3.874 7.178 1.00 0.00 N ATOM 438 CA GLU A 30 -5.648 -3.795 7.898 1.00 0.00 C ATOM 439 C GLU A 30 -4.716 -2.776 7.250 1.00 0.00 C ATOM 440 O GLU A 30 -4.829 -2.481 6.060 1.00 0.00 O ATOM 441 CB GLU A 30 -4.972 -5.167 7.938 1.00 0.00 C ATOM 442 CG GLU A 30 -3.684 -5.188 8.745 1.00 0.00 C ATOM 443 CD GLU A 30 -3.932 -5.148 10.240 1.00 0.00 C ATOM 444 OE1 GLU A 30 -5.011 -4.671 10.651 1.00 0.00 O ATOM 445 OE2 GLU A 30 -3.047 -5.595 11.000 1.00 0.00 O ATOM 0 H GLU A 30 -7.088 -4.774 6.730 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.859 -3.472 8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.667 -5.893 8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.757 -5.487 6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.119 -6.087 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.067 -4.336 8.460 1.00 0.00 H new ATOM 452 N LYS A 31 -3.794 -2.239 8.042 1.00 0.00 N ATOM 453 CA LYS A 31 -2.840 -1.252 7.548 1.00 0.00 C ATOM 454 C LYS A 31 -1.415 -1.790 7.619 1.00 0.00 C ATOM 455 O LYS A 31 -1.028 -2.426 8.600 1.00 0.00 O ATOM 456 CB LYS A 31 -2.949 0.042 8.357 1.00 0.00 C ATOM 457 CG LYS A 31 -4.374 0.405 8.736 1.00 0.00 C ATOM 458 CD LYS A 31 -4.752 -0.162 10.094 1.00 0.00 C ATOM 459 CE LYS A 31 -6.218 0.084 10.413 1.00 0.00 C ATOM 460 NZ LYS A 31 -6.439 1.436 10.997 1.00 0.00 N ATOM 0 H LYS A 31 -3.687 -2.471 9.030 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.079 -1.043 6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.354 -0.056 9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.516 0.859 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.482 1.489 8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.060 0.026 7.979 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.550 -1.233 10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.130 0.292 10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.810 -0.020 9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.570 -0.675 11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.451 1.565 11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.894 1.527 11.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.127 2.162 10.321 1.00 0.00 H new ATOM 474 N LEU A 32 -0.637 -1.531 6.574 1.00 0.00 N ATOM 475 CA LEU A 32 0.748 -1.988 6.518 1.00 0.00 C ATOM 476 C LEU A 32 1.664 -0.886 5.995 1.00 0.00 C ATOM 477 O LEU A 32 1.244 -0.038 5.210 1.00 0.00 O ATOM 478 CB LEU A 32 0.861 -3.227 5.628 1.00 0.00 C ATOM 479 CG LEU A 32 0.062 -4.451 6.076 1.00 0.00 C ATOM 480 CD1 LEU A 32 -0.176 -5.391 4.905 1.00 0.00 C ATOM 481 CD2 LEU A 32 0.782 -5.173 7.205 1.00 0.00 C ATOM 0 H LEU A 32 -0.941 -1.007 5.754 1.00 0.00 H new ATOM 0 HA LEU A 32 1.061 -2.245 7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.540 -2.957 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.912 -3.508 5.563 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.906 -4.114 6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.746 -6.256 5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.735 -4.870 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.782 -5.722 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.199 -6.042 7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.764 -5.498 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.899 -4.498 8.052 1.00 0.00 H new ATOM 493 N GLU A 33 2.918 -0.909 6.435 1.00 0.00 N ATOM 494 CA GLU A 33 3.894 0.088 6.010 1.00 0.00 C ATOM 495 C GLU A 33 4.612 -0.361 4.740 1.00 0.00 C ATOM 496 O GLU A 33 5.247 -1.415 4.712 1.00 0.00 O ATOM 497 CB GLU A 33 4.914 0.343 7.122 1.00 0.00 C ATOM 498 CG GLU A 33 6.091 1.198 6.684 1.00 0.00 C ATOM 499 CD GLU A 33 6.694 1.991 7.827 1.00 0.00 C ATOM 500 OE1 GLU A 33 6.947 1.395 8.895 1.00 0.00 O ATOM 501 OE2 GLU A 33 6.912 3.208 7.654 1.00 0.00 O ATOM 0 H GLU A 33 3.282 -1.606 7.085 1.00 0.00 H new ATOM 0 HA GLU A 33 3.360 1.014 5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.413 0.831 7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.287 -0.614 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.857 0.558 6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.765 1.885 5.903 1.00 0.00 H new ATOM 508 N VAL A 34 4.506 0.447 3.690 1.00 0.00 N ATOM 509 CA VAL A 34 5.145 0.134 2.417 1.00 0.00 C ATOM 510 C VAL A 34 6.653 0.337 2.495 1.00 0.00 C ATOM 511 O VAL A 34 7.136 1.222 3.202 1.00 0.00 O ATOM 512 CB VAL A 34 4.579 1.003 1.277 1.00 0.00 C ATOM 513 CG1 VAL A 34 5.260 0.664 -0.040 1.00 0.00 C ATOM 514 CG2 VAL A 34 3.072 0.824 1.169 1.00 0.00 C ATOM 0 H VAL A 34 3.984 1.323 3.696 1.00 0.00 H new ATOM 0 HA VAL A 34 4.933 -0.914 2.205 1.00 0.00 H new ATOM 0 HB VAL A 34 4.782 2.049 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.848 1.287 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.331 0.848 0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.090 -0.386 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.689 1.445 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.844 -0.222 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.602 1.121 2.107 1.00 0.00 H new ATOM 524 N LEU A 35 7.394 -0.489 1.764 1.00 0.00 N ATOM 525 CA LEU A 35 8.850 -0.401 1.749 1.00 0.00 C ATOM 526 C LEU A 35 9.374 -0.276 0.322 1.00 0.00 C ATOM 527 O LEU A 35 10.030 0.706 -0.025 1.00 0.00 O ATOM 528 CB LEU A 35 9.462 -1.630 2.423 1.00 0.00 C ATOM 529 CG LEU A 35 9.190 -1.781 3.920 1.00 0.00 C ATOM 530 CD1 LEU A 35 9.231 -3.246 4.326 1.00 0.00 C ATOM 531 CD2 LEU A 35 10.194 -0.973 4.729 1.00 0.00 C ATOM 0 H LEU A 35 7.010 -1.227 1.174 1.00 0.00 H new ATOM 0 HA LEU A 35 9.141 0.492 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.091 -2.520 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.541 -1.603 2.271 1.00 0.00 H new ATOM 0 HG LEU A 35 8.192 -1.396 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.035 -3.333 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.472 -3.798 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.215 -3.658 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.985 -1.092 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.203 -1.327 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.115 0.080 4.460 1.00 0.00 H new ATOM 543 N ASP A 36 9.077 -1.275 -0.501 1.00 0.00 N ATOM 544 CA ASP A 36 9.515 -1.276 -1.892 1.00 0.00 C ATOM 545 C ASP A 36 8.319 -1.327 -2.838 1.00 0.00 C ATOM 546 O ASP A 36 7.868 -2.404 -3.228 1.00 0.00 O ATOM 547 CB ASP A 36 10.442 -2.463 -2.157 1.00 0.00 C ATOM 548 CG ASP A 36 11.894 -2.141 -1.866 1.00 0.00 C ATOM 549 OD1 ASP A 36 12.183 -1.663 -0.750 1.00 0.00 O ATOM 550 OD2 ASP A 36 12.742 -2.365 -2.756 1.00 0.00 O ATOM 0 H ASP A 36 8.535 -2.095 -0.229 1.00 0.00 H new ATOM 0 HA ASP A 36 10.062 -0.351 -2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.130 -3.308 -1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.343 -2.772 -3.198 1.00 0.00 H new ATOM 555 N HIS A 37 7.809 -0.154 -3.203 1.00 0.00 N ATOM 556 CA HIS A 37 6.665 -0.065 -4.103 1.00 0.00 C ATOM 557 C HIS A 37 7.105 0.356 -5.501 1.00 0.00 C ATOM 558 O HIS A 37 6.347 0.986 -6.238 1.00 0.00 O ATOM 559 CB HIS A 37 5.637 0.927 -3.558 1.00 0.00 C ATOM 560 CG HIS A 37 6.233 2.234 -3.134 1.00 0.00 C ATOM 561 ND1 HIS A 37 7.119 2.527 -2.154 1.00 0.00 N flip ATOM 562 CD2 HIS A 37 5.928 3.433 -3.743 1.00 0.00 C flip ATOM 563 CE1 HIS A 37 7.333 3.883 -2.189 1.00 0.00 C flip ATOM 564 NE2 HIS A 37 6.603 4.406 -3.157 1.00 0.00 N flip ATOM 0 H HIS A 37 8.170 0.747 -2.889 1.00 0.00 H new ATOM 0 HA HIS A 37 6.207 -1.052 -4.168 1.00 0.00 H new ATOM 0 HB2 HIS A 37 4.882 1.112 -4.322 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.126 0.477 -2.707 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.244 3.557 -4.570 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.991 4.432 -1.532 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.566 5.394 -3.410 1.00 0.00 H new ATOM 573 N SER A 38 8.336 0.005 -5.860 1.00 0.00 N ATOM 574 CA SER A 38 8.880 0.351 -7.168 1.00 0.00 C ATOM 575 C SER A 38 8.794 -0.836 -8.123 1.00 0.00 C ATOM 576 O SER A 38 9.672 -1.038 -8.961 1.00 0.00 O ATOM 577 CB SER A 38 10.333 0.809 -7.035 1.00 0.00 C ATOM 578 OG SER A 38 10.777 1.446 -8.221 1.00 0.00 O ATOM 0 H SER A 38 8.976 -0.519 -5.263 1.00 0.00 H new ATOM 0 HA SER A 38 8.286 1.168 -7.577 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.426 1.495 -6.193 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.970 -0.049 -6.819 1.00 0.00 H new ATOM 0 HG SER A 38 10.606 0.862 -8.989 1.00 0.00 H new ATOM 584 N LYS A 39 7.729 -1.619 -7.989 1.00 0.00 N ATOM 585 CA LYS A 39 7.525 -2.787 -8.839 1.00 0.00 C ATOM 586 C LYS A 39 6.071 -3.245 -8.794 1.00 0.00 C ATOM 587 O LYS A 39 5.280 -2.752 -7.990 1.00 0.00 O ATOM 588 CB LYS A 39 8.445 -3.929 -8.401 1.00 0.00 C ATOM 589 CG LYS A 39 9.811 -3.898 -9.064 1.00 0.00 C ATOM 590 CD LYS A 39 10.524 -5.234 -8.934 1.00 0.00 C ATOM 591 CE LYS A 39 11.294 -5.329 -7.626 1.00 0.00 C ATOM 592 NZ LYS A 39 10.438 -5.828 -6.514 1.00 0.00 N ATOM 0 H LYS A 39 6.993 -1.466 -7.299 1.00 0.00 H new ATOM 0 HA LYS A 39 7.767 -2.506 -9.864 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.574 -3.886 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.962 -4.880 -8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.699 -3.645 -10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.419 -3.115 -8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.796 -6.043 -8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.209 -5.365 -9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.147 -5.995 -7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.691 -4.348 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.519 -5.187 -5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.447 -5.865 -6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.749 -6.781 -6.237 1.00 0.00 H new ATOM 606 N ARG A 40 5.727 -4.192 -9.661 1.00 0.00 N ATOM 607 CA ARG A 40 4.368 -4.716 -9.720 1.00 0.00 C ATOM 608 C ARG A 40 3.870 -5.092 -8.327 1.00 0.00 C ATOM 609 O ARG A 40 2.727 -4.809 -7.969 1.00 0.00 O ATOM 610 CB ARG A 40 4.309 -5.936 -10.641 1.00 0.00 C ATOM 611 CG ARG A 40 4.844 -5.671 -12.039 1.00 0.00 C ATOM 612 CD ARG A 40 4.783 -6.919 -12.905 1.00 0.00 C ATOM 613 NE ARG A 40 5.733 -6.863 -14.013 1.00 0.00 N ATOM 614 CZ ARG A 40 7.052 -6.879 -13.852 1.00 0.00 C ATOM 615 NH1 ARG A 40 7.573 -6.949 -12.635 1.00 0.00 N ATOM 616 NH2 ARG A 40 7.851 -6.825 -14.909 1.00 0.00 N ATOM 0 H ARG A 40 6.371 -4.612 -10.332 1.00 0.00 H new ATOM 0 HA ARG A 40 3.721 -3.936 -10.120 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.880 -6.748 -10.191 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.276 -6.275 -10.715 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.265 -4.874 -12.506 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.874 -5.321 -11.975 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.992 -7.796 -12.292 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.774 -7.038 -13.299 1.00 0.00 H new ATOM 0 HE ARG A 40 5.364 -6.809 -14.962 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.961 -6.991 -11.820 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.586 -6.961 -12.514 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.453 -6.771 -15.847 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.863 -6.837 -14.784 1.00 0.00 H new ATOM 630 N TRP A 41 4.735 -5.732 -7.548 1.00 0.00 N ATOM 631 CA TRP A 41 4.382 -6.147 -6.195 1.00 0.00 C ATOM 632 C TRP A 41 5.070 -5.265 -5.159 1.00 0.00 C ATOM 633 O TRP A 41 6.293 -5.125 -5.164 1.00 0.00 O ATOM 634 CB TRP A 41 4.765 -7.611 -5.973 1.00 0.00 C ATOM 635 CG TRP A 41 3.797 -8.578 -6.584 1.00 0.00 C ATOM 636 CD1 TRP A 41 3.488 -8.701 -7.909 1.00 0.00 C ATOM 637 CD2 TRP A 41 3.011 -9.556 -5.894 1.00 0.00 C ATOM 638 NE1 TRP A 41 2.557 -9.696 -8.084 1.00 0.00 N ATOM 639 CE2 TRP A 41 2.249 -10.237 -6.864 1.00 0.00 C ATOM 640 CE3 TRP A 41 2.879 -9.924 -4.553 1.00 0.00 C ATOM 641 CZ2 TRP A 41 1.367 -11.262 -6.531 1.00 0.00 C ATOM 642 CZ3 TRP A 41 2.003 -10.941 -4.225 1.00 0.00 C ATOM 643 CH2 TRP A 41 1.257 -11.601 -5.210 1.00 0.00 C ATOM 0 H TRP A 41 5.685 -5.975 -7.830 1.00 0.00 H new ATOM 0 HA TRP A 41 3.304 -6.039 -6.077 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.756 -7.787 -6.391 1.00 0.00 H new ATOM 0 HB3 TRP A 41 4.832 -7.803 -4.902 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.913 -8.104 -8.702 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.160 -9.985 -8.978 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.451 -9.423 -3.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.790 -11.771 -7.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.891 -11.232 -3.191 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.582 -12.393 -4.921 1.00 0.00 H new ATOM 654 N TRP A 42 4.277 -4.675 -4.272 1.00 0.00 N ATOM 655 CA TRP A 42 4.811 -3.807 -3.228 1.00 0.00 C ATOM 656 C TRP A 42 5.181 -4.611 -1.987 1.00 0.00 C ATOM 657 O TRP A 42 4.515 -5.590 -1.649 1.00 0.00 O ATOM 658 CB TRP A 42 3.793 -2.725 -2.865 1.00 0.00 C ATOM 659 CG TRP A 42 3.446 -1.826 -4.014 1.00 0.00 C ATOM 660 CD1 TRP A 42 3.669 -2.067 -5.339 1.00 0.00 C ATOM 661 CD2 TRP A 42 2.816 -0.543 -3.937 1.00 0.00 C ATOM 662 NE1 TRP A 42 3.215 -1.010 -6.092 1.00 0.00 N ATOM 663 CE2 TRP A 42 2.687 -0.063 -5.255 1.00 0.00 C ATOM 664 CE3 TRP A 42 2.346 0.247 -2.884 1.00 0.00 C ATOM 665 CZ2 TRP A 42 2.110 1.171 -5.545 1.00 0.00 C ATOM 666 CZ3 TRP A 42 1.774 1.471 -3.174 1.00 0.00 C ATOM 667 CH2 TRP A 42 1.659 1.923 -4.495 1.00 0.00 C ATOM 0 H TRP A 42 3.263 -4.781 -4.254 1.00 0.00 H new ATOM 0 HA TRP A 42 5.714 -3.332 -3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.884 -3.200 -2.498 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.190 -2.122 -2.048 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.134 -2.957 -5.737 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.263 -0.942 -7.109 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.428 -0.093 -1.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.022 1.522 -6.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.409 2.090 -2.368 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.205 2.884 -4.688 1.00 0.00 H new ATOM 678 N LEU A 43 6.246 -4.193 -1.312 1.00 0.00 N ATOM 679 CA LEU A 43 6.704 -4.875 -0.107 1.00 0.00 C ATOM 680 C LEU A 43 6.311 -4.095 1.144 1.00 0.00 C ATOM 681 O LEU A 43 6.802 -2.990 1.379 1.00 0.00 O ATOM 682 CB LEU A 43 8.222 -5.062 -0.149 1.00 0.00 C ATOM 683 CG LEU A 43 8.868 -5.595 1.130 1.00 0.00 C ATOM 684 CD1 LEU A 43 8.452 -7.037 1.378 1.00 0.00 C ATOM 685 CD2 LEU A 43 10.383 -5.482 1.050 1.00 0.00 C ATOM 0 H LEU A 43 6.809 -3.385 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 43 6.224 -5.853 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.462 -5.744 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.680 -4.103 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 43 8.522 -4.989 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.922 -7.399 2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.368 -7.090 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.768 -7.656 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.826 -5.866 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.747 -6.062 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.664 -4.437 0.922 1.00 0.00 H new ATOM 697 N VAL A 44 5.424 -4.677 1.944 1.00 0.00 N ATOM 698 CA VAL A 44 4.968 -4.038 3.173 1.00 0.00 C ATOM 699 C VAL A 44 5.376 -4.848 4.398 1.00 0.00 C ATOM 700 O VAL A 44 5.816 -5.992 4.282 1.00 0.00 O ATOM 701 CB VAL A 44 3.438 -3.858 3.177 1.00 0.00 C ATOM 702 CG1 VAL A 44 2.987 -3.096 1.940 1.00 0.00 C ATOM 703 CG2 VAL A 44 2.743 -5.209 3.263 1.00 0.00 C ATOM 0 H VAL A 44 5.007 -5.590 1.763 1.00 0.00 H new ATOM 0 HA VAL A 44 5.443 -3.058 3.215 1.00 0.00 H new ATOM 0 HB VAL A 44 3.160 -3.275 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.904 -2.978 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.458 -2.113 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.275 -3.650 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.663 -5.063 3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.025 -5.819 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.042 -5.714 4.181 1.00 0.00 H new ATOM 713 N LYS A 45 5.228 -4.247 5.574 1.00 0.00 N ATOM 714 CA LYS A 45 5.580 -4.912 6.823 1.00 0.00 C ATOM 715 C LYS A 45 4.483 -4.724 7.867 1.00 0.00 C ATOM 716 O LYS A 45 3.714 -3.766 7.806 1.00 0.00 O ATOM 717 CB LYS A 45 6.907 -4.369 7.358 1.00 0.00 C ATOM 718 CG LYS A 45 7.642 -5.342 8.263 1.00 0.00 C ATOM 719 CD LYS A 45 9.142 -5.099 8.242 1.00 0.00 C ATOM 720 CE LYS A 45 9.559 -4.104 9.314 1.00 0.00 C ATOM 721 NZ LYS A 45 10.885 -3.494 9.018 1.00 0.00 N ATOM 0 H LYS A 45 4.866 -3.300 5.688 1.00 0.00 H new ATOM 0 HA LYS A 45 5.686 -5.978 6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.550 -4.112 6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.717 -3.447 7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.271 -5.243 9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.434 -6.364 7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.667 -6.042 8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.438 -4.725 7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.807 -3.319 9.393 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.598 -4.606 10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.134 -2.822 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.607 -4.241 8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.841 -2.993 8.108 1.00 0.00 H new ATOM 735 N ASN A 46 4.420 -5.644 8.824 1.00 0.00 N ATOM 736 CA ASN A 46 3.418 -5.578 9.882 1.00 0.00 C ATOM 737 C ASN A 46 4.065 -5.255 11.225 1.00 0.00 C ATOM 738 O ASN A 46 5.285 -5.121 11.320 1.00 0.00 O ATOM 739 CB ASN A 46 2.657 -6.902 9.975 1.00 0.00 C ATOM 740 CG ASN A 46 3.574 -8.078 10.251 1.00 0.00 C ATOM 741 OD1 ASN A 46 4.746 -7.900 10.586 1.00 0.00 O ATOM 742 ND2 ASN A 46 3.044 -9.287 10.112 1.00 0.00 N ATOM 0 H ASN A 46 5.050 -6.443 8.889 1.00 0.00 H new ATOM 0 HA ASN A 46 2.717 -4.780 9.635 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.910 -6.834 10.766 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.119 -7.075 9.043 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.613 -10.116 10.285 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.068 -9.387 9.833 1.00 0.00 H new ATOM 749 N GLU A 47 3.239 -5.131 12.259 1.00 0.00 N ATOM 750 CA GLU A 47 3.732 -4.823 13.597 1.00 0.00 C ATOM 751 C GLU A 47 4.646 -5.933 14.109 1.00 0.00 C ATOM 752 O GLU A 47 5.625 -5.673 14.807 1.00 0.00 O ATOM 753 CB GLU A 47 2.562 -4.625 14.563 1.00 0.00 C ATOM 754 CG GLU A 47 2.035 -3.201 14.596 1.00 0.00 C ATOM 755 CD GLU A 47 3.027 -2.226 15.201 1.00 0.00 C ATOM 756 OE1 GLU A 47 3.055 -2.100 16.443 1.00 0.00 O ATOM 757 OE2 GLU A 47 3.776 -1.589 14.431 1.00 0.00 O ATOM 0 H GLU A 47 2.227 -5.239 12.196 1.00 0.00 H new ATOM 0 HA GLU A 47 4.307 -3.899 13.540 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.751 -5.297 14.281 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.878 -4.910 15.567 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.792 -2.884 13.582 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.108 -3.174 15.169 1.00 0.00 H new ATOM 764 N ALA A 48 4.318 -7.172 13.755 1.00 0.00 N ATOM 765 CA ALA A 48 5.109 -8.321 14.177 1.00 0.00 C ATOM 766 C ALA A 48 6.544 -8.216 13.670 1.00 0.00 C ATOM 767 O ALA A 48 7.463 -8.787 14.256 1.00 0.00 O ATOM 768 CB ALA A 48 4.468 -9.611 13.687 1.00 0.00 C ATOM 0 H ALA A 48 3.510 -7.405 13.177 1.00 0.00 H new ATOM 0 HA ALA A 48 5.136 -8.332 15.267 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.069 -10.461 14.009 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.464 -9.699 14.102 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.411 -9.599 12.599 1.00 0.00 H new ATOM 774 N GLY A 49 6.728 -7.482 12.577 1.00 0.00 N ATOM 775 CA GLY A 49 8.054 -7.316 12.010 1.00 0.00 C ATOM 776 C GLY A 49 8.233 -8.090 10.719 1.00 0.00 C ATOM 777 O GLY A 49 9.277 -7.999 10.073 1.00 0.00 O ATOM 0 H GLY A 49 5.983 -7.000 12.074 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.236 -6.258 11.824 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.799 -7.645 12.734 1.00 0.00 H new ATOM 781 N ARG A 50 7.213 -8.855 10.343 1.00 0.00 N ATOM 782 CA ARG A 50 7.264 -9.650 9.122 1.00 0.00 C ATOM 783 C ARG A 50 6.812 -8.828 7.919 1.00 0.00 C ATOM 784 O ARG A 50 5.825 -8.095 7.990 1.00 0.00 O ATOM 785 CB ARG A 50 6.386 -10.895 9.262 1.00 0.00 C ATOM 786 CG ARG A 50 6.964 -11.946 10.196 1.00 0.00 C ATOM 787 CD ARG A 50 6.645 -11.635 11.650 1.00 0.00 C ATOM 788 NE ARG A 50 6.555 -12.845 12.462 1.00 0.00 N ATOM 789 CZ ARG A 50 5.460 -13.593 12.548 1.00 0.00 C ATOM 790 NH1 ARG A 50 4.369 -13.256 11.875 1.00 0.00 N ATOM 791 NH2 ARG A 50 5.456 -14.681 13.308 1.00 0.00 N ATOM 0 H ARG A 50 6.342 -8.941 10.866 1.00 0.00 H new ATOM 0 HA ARG A 50 8.297 -9.959 8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.403 -10.597 9.628 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.239 -11.338 8.277 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.563 -12.926 9.936 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.045 -11.998 10.063 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.416 -10.981 12.058 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.703 -11.090 11.706 1.00 0.00 H new ATOM 0 HE ARG A 50 7.378 -13.132 12.992 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.369 -12.421 11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.530 -13.832 11.943 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.294 -14.944 13.827 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.615 -15.254 13.373 1.00 0.00 H new ATOM 805 N SER A 51 7.540 -8.955 6.814 1.00 0.00 N ATOM 806 CA SER A 51 7.217 -8.220 5.597 1.00 0.00 C ATOM 807 C SER A 51 7.105 -9.167 4.405 1.00 0.00 C ATOM 808 O SER A 51 7.981 -10.000 4.175 1.00 0.00 O ATOM 809 CB SER A 51 8.281 -7.156 5.319 1.00 0.00 C ATOM 810 OG SER A 51 9.579 -7.725 5.304 1.00 0.00 O ATOM 0 H SER A 51 8.357 -9.560 6.737 1.00 0.00 H new ATOM 0 HA SER A 51 6.254 -7.730 5.743 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.079 -6.677 4.361 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.230 -6.378 6.081 1.00 0.00 H new ATOM 0 HG SER A 51 9.519 -8.671 5.054 1.00 0.00 H new ATOM 816 N GLY A 52 6.020 -9.032 3.649 1.00 0.00 N ATOM 817 CA GLY A 52 5.812 -9.880 2.491 1.00 0.00 C ATOM 818 C GLY A 52 5.390 -9.095 1.265 1.00 0.00 C ATOM 819 O GLY A 52 4.835 -8.002 1.380 1.00 0.00 O ATOM 0 H GLY A 52 5.281 -8.350 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.732 -10.423 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.050 -10.624 2.722 1.00 0.00 H new ATOM 823 N TYR A 53 5.655 -9.651 0.088 1.00 0.00 N ATOM 824 CA TYR A 53 5.302 -8.993 -1.165 1.00 0.00 C ATOM 825 C TYR A 53 3.813 -9.145 -1.460 1.00 0.00 C ATOM 826 O TYR A 53 3.316 -10.256 -1.646 1.00 0.00 O ATOM 827 CB TYR A 53 6.123 -9.573 -2.318 1.00 0.00 C ATOM 828 CG TYR A 53 7.602 -9.274 -2.218 1.00 0.00 C ATOM 829 CD1 TYR A 53 8.124 -8.082 -2.706 1.00 0.00 C ATOM 830 CD2 TYR A 53 8.477 -10.183 -1.638 1.00 0.00 C ATOM 831 CE1 TYR A 53 9.475 -7.805 -2.618 1.00 0.00 C ATOM 832 CE2 TYR A 53 9.829 -9.914 -1.544 1.00 0.00 C ATOM 833 CZ TYR A 53 10.323 -8.724 -2.036 1.00 0.00 C ATOM 834 OH TYR A 53 11.669 -8.452 -1.946 1.00 0.00 O ATOM 0 H TYR A 53 6.113 -10.555 -0.025 1.00 0.00 H new ATOM 0 HA TYR A 53 5.527 -7.931 -1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 53 5.980 -10.653 -2.347 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.743 -9.176 -3.259 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.463 -7.360 -3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.094 -11.117 -1.254 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.865 -6.874 -3.003 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.495 -10.631 -1.088 1.00 0.00 H new ATOM 0 HH TYR A 53 12.126 -9.201 -1.509 1.00 0.00 H new ATOM 844 N ILE A 54 3.107 -8.020 -1.500 1.00 0.00 N ATOM 845 CA ILE A 54 1.676 -8.026 -1.774 1.00 0.00 C ATOM 846 C ILE A 54 1.345 -7.171 -2.992 1.00 0.00 C ATOM 847 O ILE A 54 1.995 -6.163 -3.269 1.00 0.00 O ATOM 848 CB ILE A 54 0.870 -7.512 -0.566 1.00 0.00 C ATOM 849 CG1 ILE A 54 1.093 -6.010 -0.378 1.00 0.00 C ATOM 850 CG2 ILE A 54 1.259 -8.272 0.693 1.00 0.00 C ATOM 851 CD1 ILE A 54 0.082 -5.359 0.540 1.00 0.00 C ATOM 0 H ILE A 54 3.503 -7.093 -1.346 1.00 0.00 H new ATOM 0 HA ILE A 54 1.398 -9.061 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.190 -7.682 -0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.093 -5.847 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.056 -5.521 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.681 -7.897 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.054 -9.334 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.322 -8.131 0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.302 -4.295 0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.919 -5.491 0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.134 -5.822 1.525 1.00 0.00 H new ATOM 863 N PRO A 55 0.309 -7.581 -3.739 1.00 0.00 N ATOM 864 CA PRO A 55 -0.133 -6.865 -4.940 1.00 0.00 C ATOM 865 C PRO A 55 -0.775 -5.522 -4.610 1.00 0.00 C ATOM 866 O PRO A 55 -1.714 -5.450 -3.817 1.00 0.00 O ATOM 867 CB PRO A 55 -1.164 -7.813 -5.558 1.00 0.00 C ATOM 868 CG PRO A 55 -1.671 -8.621 -4.413 1.00 0.00 C ATOM 869 CD PRO A 55 -0.511 -8.774 -3.469 1.00 0.00 C ATOM 0 HA PRO A 55 0.699 -6.627 -5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.970 -7.261 -6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.712 -8.447 -6.320 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.509 -8.123 -3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.031 -9.593 -4.750 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.840 -8.809 -2.430 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.043 -9.693 -3.659 1.00 0.00 H new ATOM 877 N SER A 56 -0.264 -4.460 -5.225 1.00 0.00 N ATOM 878 CA SER A 56 -0.786 -3.118 -4.994 1.00 0.00 C ATOM 879 C SER A 56 -2.295 -3.077 -5.216 1.00 0.00 C ATOM 880 O SER A 56 -2.972 -2.149 -4.776 1.00 0.00 O ATOM 881 CB SER A 56 -0.096 -2.114 -5.919 1.00 0.00 C ATOM 882 OG SER A 56 -0.681 -2.123 -7.210 1.00 0.00 O ATOM 0 H SER A 56 0.511 -4.503 -5.887 1.00 0.00 H new ATOM 0 HA SER A 56 -0.581 -2.848 -3.958 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.166 -1.114 -5.492 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.964 -2.354 -5.995 1.00 0.00 H new ATOM 0 HG SER A 56 -0.223 -1.472 -7.781 1.00 0.00 H new ATOM 888 N ASN A 57 -2.814 -4.091 -5.900 1.00 0.00 N ATOM 889 CA ASN A 57 -4.243 -4.171 -6.181 1.00 0.00 C ATOM 890 C ASN A 57 -5.051 -4.202 -4.888 1.00 0.00 C ATOM 891 O ASN A 57 -6.105 -3.574 -4.787 1.00 0.00 O ATOM 892 CB ASN A 57 -4.551 -5.415 -7.018 1.00 0.00 C ATOM 893 CG ASN A 57 -3.773 -5.442 -8.320 1.00 0.00 C ATOM 894 OD1 ASN A 57 -2.917 -4.592 -8.562 1.00 0.00 O ATOM 895 ND2 ASN A 57 -4.068 -6.424 -9.164 1.00 0.00 N ATOM 0 H ASN A 57 -2.267 -4.868 -6.270 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.527 -3.282 -6.745 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.315 -6.307 -6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.619 -5.449 -7.235 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.577 -6.495 -10.055 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.786 -7.107 -8.921 1.00 0.00 H new ATOM 902 N ILE A 58 -4.549 -4.937 -3.901 1.00 0.00 N ATOM 903 CA ILE A 58 -5.223 -5.049 -2.613 1.00 0.00 C ATOM 904 C ILE A 58 -4.729 -3.984 -1.640 1.00 0.00 C ATOM 905 O ILE A 58 -4.716 -4.194 -0.426 1.00 0.00 O ATOM 906 CB ILE A 58 -5.011 -6.439 -1.986 1.00 0.00 C ATOM 907 CG1 ILE A 58 -3.550 -6.617 -1.567 1.00 0.00 C ATOM 908 CG2 ILE A 58 -5.425 -7.530 -2.963 1.00 0.00 C ATOM 909 CD1 ILE A 58 -3.333 -7.762 -0.603 1.00 0.00 C ATOM 0 H ILE A 58 -3.678 -5.464 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.287 -4.902 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.636 -6.519 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.943 -6.782 -2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.197 -5.694 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.269 -8.507 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.479 -7.412 -3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.824 -7.454 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.275 -7.829 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.913 -7.589 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.654 -8.694 -1.067 1.00 0.00 H new ATOM 921 N LEU A 59 -4.326 -2.839 -2.180 1.00 0.00 N ATOM 922 CA LEU A 59 -3.832 -1.738 -1.359 1.00 0.00 C ATOM 923 C LEU A 59 -4.513 -0.427 -1.740 1.00 0.00 C ATOM 924 O LEU A 59 -4.945 -0.250 -2.878 1.00 0.00 O ATOM 925 CB LEU A 59 -2.316 -1.602 -1.511 1.00 0.00 C ATOM 926 CG LEU A 59 -1.470 -2.613 -0.735 1.00 0.00 C ATOM 927 CD1 LEU A 59 0.010 -2.300 -0.889 1.00 0.00 C ATOM 928 CD2 LEU A 59 -1.866 -2.622 0.734 1.00 0.00 C ATOM 0 H LEU A 59 -4.331 -2.648 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.068 -1.959 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.068 -1.687 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.028 -0.599 -1.196 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.654 -3.605 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.596 -3.030 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.284 -2.345 -1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.212 -1.300 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.254 -3.347 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.711 -1.630 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.917 -2.895 0.826 1.00 0.00 H new ATOM 940 N GLU A 60 -4.602 0.488 -0.780 1.00 0.00 N ATOM 941 CA GLU A 60 -5.228 1.783 -1.017 1.00 0.00 C ATOM 942 C GLU A 60 -4.500 2.887 -0.255 1.00 0.00 C ATOM 943 O GLU A 60 -3.764 2.636 0.699 1.00 0.00 O ATOM 944 CB GLU A 60 -6.700 1.747 -0.601 1.00 0.00 C ATOM 945 CG GLU A 60 -7.635 1.290 -1.708 1.00 0.00 C ATOM 946 CD GLU A 60 -7.954 2.396 -2.695 1.00 0.00 C ATOM 947 OE1 GLU A 60 -8.899 3.169 -2.435 1.00 0.00 O ATOM 948 OE2 GLU A 60 -7.258 2.487 -3.728 1.00 0.00 O ATOM 0 H GLU A 60 -4.249 0.357 0.168 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.164 1.998 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.811 1.081 0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.000 2.742 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.181 0.453 -2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.562 0.923 -1.267 1.00 0.00 H new ATOM 955 N PRO A 61 -4.710 4.140 -0.685 1.00 0.00 N ATOM 956 CA PRO A 61 -4.083 5.308 -0.059 1.00 0.00 C ATOM 957 C PRO A 61 -4.641 5.588 1.333 1.00 0.00 C ATOM 958 O PRO A 61 -5.643 6.289 1.481 1.00 0.00 O ATOM 959 CB PRO A 61 -4.430 6.452 -1.014 1.00 0.00 C ATOM 960 CG PRO A 61 -5.677 6.009 -1.699 1.00 0.00 C ATOM 961 CD PRO A 61 -5.575 4.513 -1.817 1.00 0.00 C ATOM 0 HA PRO A 61 -3.012 5.167 0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.586 7.386 -0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.627 6.628 -1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.559 6.296 -1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.769 6.473 -2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.553 4.037 -1.749 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.140 4.214 -2.771 1.00 0.00 H new ATOM 969 N LEU A 62 -3.986 5.038 2.349 1.00 0.00 N ATOM 970 CA LEU A 62 -4.417 5.229 3.730 1.00 0.00 C ATOM 971 C LEU A 62 -3.744 6.452 4.345 1.00 0.00 C ATOM 972 O LEU A 62 -2.528 6.474 4.536 1.00 0.00 O ATOM 973 CB LEU A 62 -4.098 3.985 4.561 1.00 0.00 C ATOM 974 CG LEU A 62 -4.164 4.158 6.079 1.00 0.00 C ATOM 975 CD1 LEU A 62 -5.567 3.871 6.589 1.00 0.00 C ATOM 976 CD2 LEU A 62 -3.150 3.251 6.763 1.00 0.00 C ATOM 0 H LEU A 62 -3.155 4.456 2.243 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.495 5.391 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.791 3.194 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.097 3.643 4.297 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.918 5.192 6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.594 3.999 7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.271 4.561 6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.843 2.847 6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.210 3.387 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.366 2.212 6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.146 3.504 6.421 1.00 0.00 H new ATOM 988 N SER A 63 -4.544 7.467 4.655 1.00 0.00 N ATOM 989 CA SER A 63 -4.026 8.695 5.248 1.00 0.00 C ATOM 990 C SER A 63 -4.027 8.605 6.771 1.00 0.00 C ATOM 991 O SER A 63 -4.651 7.718 7.351 1.00 0.00 O ATOM 992 CB SER A 63 -4.859 9.896 4.796 1.00 0.00 C ATOM 993 OG SER A 63 -4.432 10.366 3.529 1.00 0.00 O ATOM 0 H SER A 63 -5.553 7.464 4.506 1.00 0.00 H new ATOM 0 HA SER A 63 -2.998 8.827 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.911 9.615 4.747 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.777 10.697 5.531 1.00 0.00 H new ATOM 0 HG SER A 63 -4.981 11.132 3.262 1.00 0.00 H new ATOM 999 N GLY A 64 -3.321 9.532 7.413 1.00 0.00 N ATOM 1000 CA GLY A 64 -3.252 9.540 8.862 1.00 0.00 C ATOM 1001 C GLY A 64 -2.327 8.469 9.405 1.00 0.00 C ATOM 1002 O GLY A 64 -2.203 7.382 8.842 1.00 0.00 O ATOM 0 H GLY A 64 -2.796 10.277 6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.909 10.518 9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.252 9.394 9.271 1.00 0.00 H new ATOM 1006 N PRO A 65 -1.656 8.775 10.525 1.00 0.00 N ATOM 1007 CA PRO A 65 -0.724 7.844 11.169 1.00 0.00 C ATOM 1008 C PRO A 65 -1.438 6.655 11.804 1.00 0.00 C ATOM 1009 O PRO A 65 -2.571 6.776 12.269 1.00 0.00 O ATOM 1010 CB PRO A 65 -0.052 8.701 12.244 1.00 0.00 C ATOM 1011 CG PRO A 65 -1.039 9.775 12.544 1.00 0.00 C ATOM 1012 CD PRO A 65 -1.755 10.053 11.251 1.00 0.00 C ATOM 0 HA PRO A 65 -0.026 7.407 10.455 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.176 8.113 13.133 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.890 9.117 11.887 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.739 9.457 13.317 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.540 10.671 12.914 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.793 10.340 11.420 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.285 10.867 10.698 1.00 0.00 H new ATOM 1020 N SER A 66 -0.767 5.508 11.820 1.00 0.00 N ATOM 1021 CA SER A 66 -1.340 4.296 12.396 1.00 0.00 C ATOM 1022 C SER A 66 -1.788 4.537 13.834 1.00 0.00 C ATOM 1023 O SER A 66 -2.933 4.265 14.193 1.00 0.00 O ATOM 1024 CB SER A 66 -0.322 3.155 12.351 1.00 0.00 C ATOM 1025 OG SER A 66 0.872 3.510 13.026 1.00 0.00 O ATOM 0 H SER A 66 0.173 5.392 11.441 1.00 0.00 H new ATOM 0 HA SER A 66 -2.212 4.019 11.804 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.750 2.263 12.808 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.097 2.905 11.314 1.00 0.00 H new ATOM 0 HG SER A 66 1.506 2.764 12.984 1.00 0.00 H new ATOM 1031 N SER A 67 -0.875 5.050 14.653 1.00 0.00 N ATOM 1032 CA SER A 67 -1.174 5.324 16.054 1.00 0.00 C ATOM 1033 C SER A 67 -2.368 6.266 16.180 1.00 0.00 C ATOM 1034 O SER A 67 -3.243 6.067 17.022 1.00 0.00 O ATOM 1035 CB SER A 67 0.046 5.933 16.748 1.00 0.00 C ATOM 1036 OG SER A 67 -0.175 6.071 18.141 1.00 0.00 O ATOM 0 H SER A 67 0.077 5.284 14.371 1.00 0.00 H new ATOM 0 HA SER A 67 -1.425 4.380 16.538 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.918 5.303 16.576 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.266 6.908 16.313 1.00 0.00 H new ATOM 0 HG SER A 67 0.620 6.461 18.561 1.00 0.00 H new ATOM 1042 N GLY A 68 -2.396 7.293 15.336 1.00 0.00 N ATOM 1043 CA GLY A 68 -3.485 8.251 15.369 1.00 0.00 C ATOM 1044 C GLY A 68 -3.156 9.476 16.199 1.00 0.00 C ATOM 1045 O GLY A 68 -1.986 9.766 16.452 1.00 0.00 O ATOM 0 H GLY A 68 -1.684 7.478 14.630 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.724 8.559 14.351 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.375 7.770 15.774 1.00 0.00 H new TER 1049 GLY A 68