USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 850 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0 (180deg=-0.0593) USER MOD Single : A 4 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.069) USER MOD Single : A 7 ASN : amide:sc= -0.829 K(o=-0.83,f=-3.6) USER MOD Single : A 9 LYS NZ :NH3+ -172:sc= 0.0731 (180deg=0.0447) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 80:sc= -2.1! USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.241 X(o=-0.24,f=0.075) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -74:sc= -2.42 USER MOD Single : A 29 ASN : amide:sc= -8.38! C(o=-8.4!,f=-8.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -2.58 F(o=-5.3!,f=-2.6) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -139:sc= -9.85! (180deg=-15.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.65) USER MOD Single : A 59 ASN : amide:sc= -0.771 K(o=-0.77,f=-2.3!) USER MOD Single : A 62 THR OG1 : rot -95:sc= -9.43! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0833 K(o=-0.083,f=-1.7!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 144:sc= -2.84 (180deg=-7.05!) USER MOD Single : A 83 SER OG : rot 130:sc= -0.192 USER MOD Single : A 86 LYS NZ :NH3+ -143:sc= -0.162 (180deg=-1.21!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0879 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 16:sc= 0.336! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.193 -22.336 5.447 1.00 0.00 N ATOM 2 CA MET A 1 -10.566 -22.611 4.932 1.00 0.00 C ATOM 3 C MET A 1 -11.546 -22.776 6.096 1.00 0.00 C ATOM 4 O MET A 1 -12.433 -23.605 6.060 1.00 0.00 O ATOM 5 CB MET A 1 -10.439 -23.917 4.147 1.00 0.00 C ATOM 6 CG MET A 1 -11.103 -23.757 2.777 1.00 0.00 C ATOM 7 SD MET A 1 -12.868 -24.130 2.915 1.00 0.00 S ATOM 8 CE MET A 1 -13.190 -24.355 1.148 1.00 0.00 C ATOM 0 H1 MET A 1 -8.515 -22.361 4.659 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.171 -21.397 5.893 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.934 -23.059 6.149 1.00 0.00 H new ATOM 0 HA MET A 1 -10.945 -21.798 4.313 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.388 -24.179 4.025 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.909 -24.732 4.698 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.963 -22.740 2.410 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.635 -24.425 2.054 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.242 -24.598 0.998 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.950 -23.435 0.614 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.572 -25.168 0.766 1.00 0.00 H new ATOM 20 N ALA A 2 -11.390 -21.994 7.129 1.00 0.00 N ATOM 21 CA ALA A 2 -12.312 -22.108 8.296 1.00 0.00 C ATOM 22 C ALA A 2 -13.167 -20.844 8.419 1.00 0.00 C ATOM 23 O ALA A 2 -14.283 -20.882 8.898 1.00 0.00 O ATOM 24 CB ALA A 2 -11.397 -22.257 9.511 1.00 0.00 C ATOM 0 H ALA A 2 -10.665 -21.282 7.216 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.000 -22.948 8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.002 -22.347 10.413 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.782 -23.150 9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.753 -21.381 9.591 1.00 0.00 H new ATOM 30 N GLU A 3 -12.652 -19.723 7.993 1.00 0.00 N ATOM 31 CA GLU A 3 -13.436 -18.459 8.087 1.00 0.00 C ATOM 32 C GLU A 3 -14.631 -18.504 7.133 1.00 0.00 C ATOM 33 O GLU A 3 -14.821 -19.457 6.403 1.00 0.00 O ATOM 34 CB GLU A 3 -12.461 -17.357 7.672 1.00 0.00 C ATOM 35 CG GLU A 3 -12.553 -16.193 8.662 1.00 0.00 C ATOM 36 CD GLU A 3 -11.146 -15.770 9.086 1.00 0.00 C ATOM 37 OE1 GLU A 3 -10.209 -16.115 8.385 1.00 0.00 O ATOM 38 OE2 GLU A 3 -11.030 -15.108 10.104 1.00 0.00 O ATOM 0 H GLU A 3 -11.722 -19.628 7.584 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.836 -18.295 9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.444 -17.747 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.694 -17.011 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.074 -15.352 8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.133 -16.490 9.535 1.00 0.00 H new ATOM 45 N ASN A 4 -15.441 -17.479 7.133 1.00 0.00 N ATOM 46 CA ASN A 4 -16.624 -17.464 6.224 1.00 0.00 C ATOM 47 C ASN A 4 -16.378 -16.507 5.055 1.00 0.00 C ATOM 48 O ASN A 4 -17.055 -15.509 4.903 1.00 0.00 O ATOM 49 CB ASN A 4 -17.781 -16.965 7.091 1.00 0.00 C ATOM 50 CG ASN A 4 -18.674 -18.145 7.479 1.00 0.00 C ATOM 51 OD1 ASN A 4 -19.006 -18.315 8.636 1.00 0.00 O ATOM 52 ND2 ASN A 4 -19.080 -18.972 6.555 1.00 0.00 N ATOM 0 H ASN A 4 -15.335 -16.653 7.722 1.00 0.00 H new ATOM 0 HA ASN A 4 -16.829 -18.445 5.794 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -17.395 -16.478 7.986 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -18.361 -16.219 6.548 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -19.676 -19.761 6.803 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -18.801 -18.829 5.584 1.00 0.00 H new ATOM 59 N GLY A 5 -15.412 -16.802 4.228 1.00 0.00 N ATOM 60 CA GLY A 5 -15.124 -15.907 3.071 1.00 0.00 C ATOM 61 C GLY A 5 -14.525 -14.594 3.578 1.00 0.00 C ATOM 62 O GLY A 5 -15.081 -13.939 4.438 1.00 0.00 O ATOM 0 H GLY A 5 -14.811 -17.623 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.431 -16.394 2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -16.040 -15.710 2.513 1.00 0.00 H new ATOM 66 N ASP A 6 -13.395 -14.204 3.054 1.00 0.00 N ATOM 67 CA ASP A 6 -12.764 -12.932 3.509 1.00 0.00 C ATOM 68 C ASP A 6 -13.679 -11.744 3.195 1.00 0.00 C ATOM 69 O ASP A 6 -14.602 -11.452 3.929 1.00 0.00 O ATOM 70 CB ASP A 6 -11.458 -12.833 2.718 1.00 0.00 C ATOM 71 CG ASP A 6 -10.535 -13.988 3.110 1.00 0.00 C ATOM 72 OD1 ASP A 6 -11.047 -15.036 3.465 1.00 0.00 O ATOM 73 OD2 ASP A 6 -9.330 -13.803 3.048 1.00 0.00 O ATOM 0 H ASP A 6 -12.882 -14.710 2.332 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.589 -12.918 4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.665 -12.866 1.648 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.970 -11.879 2.919 1.00 0.00 H new ATOM 78 N ASN A 7 -13.431 -11.057 2.112 1.00 0.00 N ATOM 79 CA ASN A 7 -14.288 -9.889 1.755 1.00 0.00 C ATOM 80 C ASN A 7 -14.187 -8.808 2.834 1.00 0.00 C ATOM 81 O ASN A 7 -13.603 -7.764 2.626 1.00 0.00 O ATOM 82 CB ASN A 7 -15.710 -10.447 1.682 1.00 0.00 C ATOM 83 CG ASN A 7 -15.706 -11.755 0.888 1.00 0.00 C ATOM 84 OD1 ASN A 7 -15.654 -12.826 1.458 1.00 0.00 O ATOM 85 ND2 ASN A 7 -15.758 -11.712 -0.416 1.00 0.00 N ATOM 0 H ASN A 7 -12.672 -11.254 1.459 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.985 -9.426 0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -16.096 -10.620 2.687 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -16.372 -9.723 1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.755 -12.578 -0.955 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.802 -10.813 -0.895 1.00 0.00 H new ATOM 92 N GLU A 8 -14.752 -9.049 3.986 1.00 0.00 N ATOM 93 CA GLU A 8 -14.686 -8.031 5.075 1.00 0.00 C ATOM 94 C GLU A 8 -13.230 -7.777 5.475 1.00 0.00 C ATOM 95 O GLU A 8 -12.849 -6.669 5.799 1.00 0.00 O ATOM 96 CB GLU A 8 -15.465 -8.637 6.245 1.00 0.00 C ATOM 97 CG GLU A 8 -15.108 -10.118 6.401 1.00 0.00 C ATOM 98 CD GLU A 8 -15.393 -10.563 7.836 1.00 0.00 C ATOM 99 OE1 GLU A 8 -14.653 -10.161 8.719 1.00 0.00 O ATOM 100 OE2 GLU A 8 -16.348 -11.298 8.028 1.00 0.00 O ATOM 0 H GLU A 8 -15.255 -9.905 4.220 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.104 -7.073 4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.233 -8.100 7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.536 -8.529 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.688 -10.719 5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.056 -10.277 6.162 1.00 0.00 H new ATOM 107 N LYS A 9 -12.414 -8.793 5.456 1.00 0.00 N ATOM 108 CA LYS A 9 -10.984 -8.609 5.833 1.00 0.00 C ATOM 109 C LYS A 9 -10.260 -7.780 4.768 1.00 0.00 C ATOM 110 O LYS A 9 -9.511 -6.875 5.077 1.00 0.00 O ATOM 111 CB LYS A 9 -10.405 -10.023 5.895 1.00 0.00 C ATOM 112 CG LYS A 9 -8.929 -9.953 6.292 1.00 0.00 C ATOM 113 CD LYS A 9 -8.443 -11.344 6.704 1.00 0.00 C ATOM 114 CE LYS A 9 -8.828 -12.358 5.624 1.00 0.00 C ATOM 115 NZ LYS A 9 -7.630 -13.231 5.473 1.00 0.00 N ATOM 0 H LYS A 9 -12.675 -9.744 5.196 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.871 -8.080 6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.959 -10.623 6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.509 -10.513 4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.335 -9.581 5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.796 -9.251 7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.362 -11.337 6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.885 -11.628 7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.704 -12.936 5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.076 -11.861 4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.763 -13.865 4.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.788 -12.641 5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.502 -13.798 6.336 1.00 0.00 H new ATOM 129 N MET A 10 -10.481 -8.081 3.518 1.00 0.00 N ATOM 130 CA MET A 10 -9.806 -7.309 2.435 1.00 0.00 C ATOM 131 C MET A 10 -10.249 -5.846 2.478 1.00 0.00 C ATOM 132 O MET A 10 -9.473 -4.944 2.235 1.00 0.00 O ATOM 133 CB MET A 10 -10.258 -7.971 1.133 1.00 0.00 C ATOM 134 CG MET A 10 -9.333 -9.145 0.810 1.00 0.00 C ATOM 135 SD MET A 10 -7.644 -8.537 0.577 1.00 0.00 S ATOM 136 CE MET A 10 -6.789 -9.962 1.293 1.00 0.00 C ATOM 0 H MET A 10 -11.099 -8.827 3.199 1.00 0.00 H new ATOM 0 HA MET A 10 -8.721 -7.315 2.537 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.286 -8.320 1.228 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.241 -7.246 0.319 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.359 -9.876 1.618 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.675 -9.654 -0.091 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.712 -9.798 1.252 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.098 -10.088 2.331 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.041 -10.859 0.728 1.00 0.00 H new ATOM 146 N ALA A 11 -11.490 -5.607 2.789 1.00 0.00 N ATOM 147 CA ALA A 11 -11.985 -4.202 2.851 1.00 0.00 C ATOM 148 C ALA A 11 -11.172 -3.409 3.878 1.00 0.00 C ATOM 149 O ALA A 11 -10.641 -2.357 3.584 1.00 0.00 O ATOM 150 CB ALA A 11 -13.445 -4.314 3.293 1.00 0.00 C ATOM 0 H ALA A 11 -12.185 -6.322 3.003 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.890 -3.685 1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.882 -3.318 3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.001 -4.904 2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.494 -4.800 4.267 1.00 0.00 H new ATOM 156 N ALA A 12 -11.066 -3.911 5.078 1.00 0.00 N ATOM 157 CA ALA A 12 -10.280 -3.189 6.119 1.00 0.00 C ATOM 158 C ALA A 12 -8.786 -3.273 5.797 1.00 0.00 C ATOM 159 O ALA A 12 -8.028 -2.366 6.076 1.00 0.00 O ATOM 160 CB ALA A 12 -10.591 -3.916 7.428 1.00 0.00 C ATOM 0 H ALA A 12 -11.489 -4.788 5.382 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.536 -2.131 6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.048 -3.442 8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.662 -3.866 7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.286 -4.959 7.346 1.00 0.00 H new ATOM 166 N LEU A 13 -8.359 -4.358 5.210 1.00 0.00 N ATOM 167 CA LEU A 13 -6.915 -4.503 4.867 1.00 0.00 C ATOM 168 C LEU A 13 -6.514 -3.454 3.825 1.00 0.00 C ATOM 169 O LEU A 13 -5.397 -2.974 3.811 1.00 0.00 O ATOM 170 CB LEU A 13 -6.785 -5.911 4.287 1.00 0.00 C ATOM 171 CG LEU A 13 -5.314 -6.207 3.991 1.00 0.00 C ATOM 172 CD1 LEU A 13 -4.848 -7.387 4.846 1.00 0.00 C ATOM 173 CD2 LEU A 13 -5.154 -6.558 2.510 1.00 0.00 C ATOM 0 H LEU A 13 -8.948 -5.150 4.953 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.267 -4.358 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.180 -6.644 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.375 -5.996 3.374 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.713 -5.329 4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.800 -7.598 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.963 -7.139 5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.449 -8.266 4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.106 -6.769 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.756 -7.437 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.486 -5.719 1.899 1.00 0.00 H new ATOM 185 N GLU A 14 -7.417 -3.096 2.955 1.00 0.00 N ATOM 186 CA GLU A 14 -7.087 -2.078 1.916 1.00 0.00 C ATOM 187 C GLU A 14 -6.687 -0.758 2.579 1.00 0.00 C ATOM 188 O GLU A 14 -5.706 -0.141 2.216 1.00 0.00 O ATOM 189 CB GLU A 14 -8.374 -1.903 1.109 1.00 0.00 C ATOM 190 CG GLU A 14 -8.102 -1.008 -0.101 1.00 0.00 C ATOM 191 CD GLU A 14 -9.244 -0.003 -0.260 1.00 0.00 C ATOM 192 OE1 GLU A 14 -9.411 0.820 0.625 1.00 0.00 O ATOM 193 OE2 GLU A 14 -9.933 -0.074 -1.265 1.00 0.00 O ATOM 0 H GLU A 14 -8.368 -3.463 2.918 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.251 -2.385 1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.744 -2.874 0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.150 -1.461 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.156 -0.482 0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.009 -1.615 -1.002 1.00 0.00 H new ATOM 200 N ALA A 15 -7.441 -0.323 3.552 1.00 0.00 N ATOM 201 CA ALA A 15 -7.105 0.955 4.242 1.00 0.00 C ATOM 202 C ALA A 15 -5.840 0.783 5.086 1.00 0.00 C ATOM 203 O ALA A 15 -5.022 1.675 5.186 1.00 0.00 O ATOM 204 CB ALA A 15 -8.311 1.251 5.134 1.00 0.00 C ATOM 0 H ALA A 15 -8.275 -0.797 3.899 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.909 1.766 3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.142 2.180 5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.204 1.349 4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.448 0.435 5.843 1.00 0.00 H new ATOM 210 N LYS A 16 -5.673 -0.360 5.694 1.00 0.00 N ATOM 211 CA LYS A 16 -4.461 -0.589 6.531 1.00 0.00 C ATOM 212 C LYS A 16 -3.197 -0.440 5.680 1.00 0.00 C ATOM 213 O LYS A 16 -2.213 0.131 6.106 1.00 0.00 O ATOM 214 CB LYS A 16 -4.598 -2.022 7.045 1.00 0.00 C ATOM 215 CG LYS A 16 -5.467 -2.032 8.303 1.00 0.00 C ATOM 216 CD LYS A 16 -5.665 -3.473 8.777 1.00 0.00 C ATOM 217 CE LYS A 16 -7.069 -3.628 9.366 1.00 0.00 C ATOM 218 NZ LYS A 16 -6.854 -3.809 10.829 1.00 0.00 N ATOM 0 H LYS A 16 -6.323 -1.145 5.647 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.380 0.129 7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.044 -2.654 6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.614 -2.436 7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.995 -1.442 9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.432 -1.571 8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.530 -4.163 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.915 -3.727 9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.682 -2.750 9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.586 -4.485 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.773 -3.922 11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.273 -4.656 10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.366 -2.975 11.214 1.00 0.00 H new ATOM 232 N ILE A 17 -3.217 -0.947 4.477 1.00 0.00 N ATOM 233 CA ILE A 17 -2.017 -0.831 3.600 1.00 0.00 C ATOM 234 C ILE A 17 -1.707 0.642 3.326 1.00 0.00 C ATOM 235 O ILE A 17 -0.566 1.063 3.350 1.00 0.00 O ATOM 236 CB ILE A 17 -2.401 -1.549 2.307 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.510 -3.051 2.574 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.329 -1.297 1.245 1.00 0.00 C ATOM 239 CD1 ILE A 17 -3.156 -3.738 1.370 1.00 0.00 C ATOM 0 H ILE A 17 -4.011 -1.436 4.064 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.127 -1.264 4.056 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.360 -1.171 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.521 -3.471 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.104 -3.230 3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.603 -1.809 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.249 -0.227 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.370 -1.675 1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.234 -4.808 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.152 -3.325 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.544 -3.571 0.484 1.00 0.00 H new ATOM 251 N CYS A 18 -2.714 1.431 3.068 1.00 0.00 N ATOM 252 CA CYS A 18 -2.477 2.878 2.796 1.00 0.00 C ATOM 253 C CYS A 18 -1.818 3.535 4.012 1.00 0.00 C ATOM 254 O CYS A 18 -0.944 4.370 3.885 1.00 0.00 O ATOM 255 CB CYS A 18 -3.866 3.471 2.554 1.00 0.00 C ATOM 256 SG CYS A 18 -4.760 2.454 1.353 1.00 0.00 S ATOM 0 H CYS A 18 -3.690 1.137 3.034 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.815 3.038 1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.421 3.517 3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.777 4.493 2.185 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.252 1.409 1.950 1.00 0.00 H new ATOM 262 N HIS A 19 -2.234 3.161 5.189 1.00 0.00 N ATOM 263 CA HIS A 19 -1.639 3.755 6.421 1.00 0.00 C ATOM 264 C HIS A 19 -0.155 3.396 6.517 1.00 0.00 C ATOM 265 O HIS A 19 0.653 4.185 6.965 1.00 0.00 O ATOM 266 CB HIS A 19 -2.418 3.133 7.580 1.00 0.00 C ATOM 267 CG HIS A 19 -3.340 4.161 8.176 1.00 0.00 C ATOM 268 ND1 HIS A 19 -4.646 4.324 7.741 1.00 0.00 N ATOM 269 CD2 HIS A 19 -3.161 5.086 9.175 1.00 0.00 C ATOM 270 CE1 HIS A 19 -5.197 5.311 8.469 1.00 0.00 C ATOM 271 NE2 HIS A 19 -4.334 5.810 9.359 1.00 0.00 N ATOM 0 H HIS A 19 -2.963 2.467 5.353 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.703 4.843 6.426 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.992 2.276 7.228 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.728 2.765 8.339 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.248 5.229 9.733 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.213 5.658 8.349 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -4.500 6.561 10.029 1.00 0.00 H new ATOM 279 N GLN A 20 0.213 2.214 6.104 1.00 0.00 N ATOM 280 CA GLN A 20 1.650 1.825 6.183 1.00 0.00 C ATOM 281 C GLN A 20 2.475 2.753 5.294 1.00 0.00 C ATOM 282 O GLN A 20 3.466 3.317 5.720 1.00 0.00 O ATOM 283 CB GLN A 20 1.703 0.391 5.657 1.00 0.00 C ATOM 284 CG GLN A 20 2.071 -0.560 6.797 1.00 0.00 C ATOM 285 CD GLN A 20 1.192 -0.264 8.013 1.00 0.00 C ATOM 286 OE1 GLN A 20 -0.012 -0.151 7.895 1.00 0.00 O ATOM 287 NE2 GLN A 20 1.746 -0.132 9.187 1.00 0.00 N ATOM 0 H GLN A 20 -0.412 1.506 5.719 1.00 0.00 H new ATOM 0 HA GLN A 20 2.052 1.897 7.194 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.738 0.112 5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.437 0.314 4.855 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.935 -1.594 6.480 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.123 -0.442 7.058 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.757 -0.227 9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.168 0.066 10.004 1.00 0.00 H new ATOM 296 N ILE A 21 2.059 2.947 4.071 1.00 0.00 N ATOM 297 CA ILE A 21 2.812 3.864 3.175 1.00 0.00 C ATOM 298 C ILE A 21 2.865 5.240 3.831 1.00 0.00 C ATOM 299 O ILE A 21 3.844 5.954 3.738 1.00 0.00 O ATOM 300 CB ILE A 21 2.010 3.911 1.874 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.029 2.528 1.218 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.640 4.933 0.926 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.410 2.264 0.618 1.00 0.00 C ATOM 0 H ILE A 21 1.234 2.512 3.658 1.00 0.00 H new ATOM 0 HA ILE A 21 3.836 3.539 2.988 1.00 0.00 H new ATOM 0 HB ILE A 21 0.981 4.200 2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.789 1.762 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.267 2.473 0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.070 4.968 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.632 5.917 1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.668 4.643 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.422 1.279 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.632 3.023 -0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.162 2.301 1.406 1.00 0.00 H new ATOM 315 N GLU A 22 1.815 5.603 4.511 1.00 0.00 N ATOM 316 CA GLU A 22 1.784 6.918 5.203 1.00 0.00 C ATOM 317 C GLU A 22 2.902 6.979 6.249 1.00 0.00 C ATOM 318 O GLU A 22 3.473 8.017 6.501 1.00 0.00 O ATOM 319 CB GLU A 22 0.413 6.980 5.877 1.00 0.00 C ATOM 320 CG GLU A 22 -0.414 8.105 5.252 1.00 0.00 C ATOM 321 CD GLU A 22 -1.065 8.936 6.359 1.00 0.00 C ATOM 322 OE1 GLU A 22 -0.335 9.517 7.144 1.00 0.00 O ATOM 323 OE2 GLU A 22 -2.284 8.977 6.402 1.00 0.00 O ATOM 0 H GLU A 22 0.971 5.040 4.617 1.00 0.00 H new ATOM 0 HA GLU A 22 1.936 7.754 4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.104 6.027 5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.530 7.152 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.222 8.738 4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.180 7.688 4.598 1.00 0.00 H new ATOM 330 N TYR A 23 3.204 5.878 6.877 1.00 0.00 N ATOM 331 CA TYR A 23 4.271 5.887 7.919 1.00 0.00 C ATOM 332 C TYR A 23 5.635 6.263 7.317 1.00 0.00 C ATOM 333 O TYR A 23 6.363 7.055 7.881 1.00 0.00 O ATOM 334 CB TYR A 23 4.298 4.462 8.473 1.00 0.00 C ATOM 335 CG TYR A 23 5.636 4.195 9.121 1.00 0.00 C ATOM 336 CD1 TYR A 23 5.968 4.818 10.330 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.542 3.326 8.509 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.212 4.569 10.924 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.785 3.078 9.101 1.00 0.00 C ATOM 340 CZ TYR A 23 8.121 3.700 10.309 1.00 0.00 C ATOM 341 OH TYR A 23 9.347 3.454 10.894 1.00 0.00 O ATOM 0 H TYR A 23 2.760 4.974 6.716 1.00 0.00 H new ATOM 0 HA TYR A 23 4.069 6.626 8.695 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.497 4.329 9.201 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.122 3.746 7.670 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.267 5.489 10.804 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.283 2.845 7.578 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.470 5.048 11.857 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.485 2.407 8.626 1.00 0.00 H new ATOM 0 HH TYR A 23 9.855 2.828 10.337 1.00 0.00 H new ATOM 351 N TYR A 24 6.003 5.709 6.186 1.00 0.00 N ATOM 352 CA TYR A 24 7.336 6.071 5.603 1.00 0.00 C ATOM 353 C TYR A 24 7.280 7.439 4.918 1.00 0.00 C ATOM 354 O TYR A 24 8.225 8.200 4.954 1.00 0.00 O ATOM 355 CB TYR A 24 7.694 5.012 4.553 1.00 0.00 C ATOM 356 CG TYR A 24 6.997 3.706 4.823 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.578 2.757 5.670 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.781 3.436 4.197 1.00 0.00 C ATOM 359 CE1 TYR A 24 6.933 1.536 5.896 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.139 2.218 4.417 1.00 0.00 C ATOM 361 CZ TYR A 24 5.712 1.265 5.267 1.00 0.00 C ATOM 362 OH TYR A 24 5.075 0.060 5.483 1.00 0.00 O ATOM 0 H TYR A 24 5.453 5.037 5.651 1.00 0.00 H new ATOM 0 HA TYR A 24 8.078 6.112 6.400 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.419 5.374 3.562 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.773 4.855 4.547 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.523 2.966 6.149 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.336 4.170 3.542 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.376 0.804 6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.198 2.009 3.931 1.00 0.00 H new ATOM 0 HH TYR A 24 5.546 -0.650 4.999 1.00 0.00 H new ATOM 372 N PHE A 25 6.194 7.738 4.261 1.00 0.00 N ATOM 373 CA PHE A 25 6.100 9.044 3.534 1.00 0.00 C ATOM 374 C PHE A 25 5.159 10.024 4.239 1.00 0.00 C ATOM 375 O PHE A 25 5.246 11.220 4.046 1.00 0.00 O ATOM 376 CB PHE A 25 5.532 8.680 2.161 1.00 0.00 C ATOM 377 CG PHE A 25 6.640 8.183 1.264 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.114 6.873 1.397 1.00 0.00 C ATOM 379 CD2 PHE A 25 7.189 9.032 0.298 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.138 6.411 0.561 1.00 0.00 C ATOM 381 CE2 PHE A 25 8.213 8.571 -0.538 1.00 0.00 C ATOM 382 CZ PHE A 25 8.688 7.261 -0.406 1.00 0.00 C ATOM 0 H PHE A 25 5.370 7.141 4.193 1.00 0.00 H new ATOM 0 HA PHE A 25 7.070 9.538 3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.765 7.912 2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.052 9.550 1.713 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.690 6.218 2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.823 10.043 0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.503 5.400 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.636 9.226 -1.285 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.479 6.906 -1.050 1.00 0.00 H new ATOM 392 N GLY A 26 4.254 9.534 5.038 1.00 0.00 N ATOM 393 CA GLY A 26 3.302 10.447 5.738 1.00 0.00 C ATOM 394 C GLY A 26 4.014 11.746 6.111 1.00 0.00 C ATOM 395 O GLY A 26 3.553 12.827 5.805 1.00 0.00 O ATOM 0 H GLY A 26 4.130 8.542 5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.448 10.661 5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.913 9.964 6.634 1.00 0.00 H new ATOM 399 N ASP A 27 5.136 11.643 6.769 1.00 0.00 N ATOM 400 CA ASP A 27 5.896 12.864 7.170 1.00 0.00 C ATOM 401 C ASP A 27 6.883 12.515 8.287 1.00 0.00 C ATOM 402 O ASP A 27 7.820 13.242 8.548 1.00 0.00 O ATOM 403 CB ASP A 27 4.840 13.851 7.681 1.00 0.00 C ATOM 404 CG ASP A 27 5.487 14.845 8.647 1.00 0.00 C ATOM 405 OD1 ASP A 27 6.614 15.239 8.394 1.00 0.00 O ATOM 406 OD2 ASP A 27 4.845 15.196 9.623 1.00 0.00 O ATOM 0 H ASP A 27 5.563 10.760 7.049 1.00 0.00 H new ATOM 0 HA ASP A 27 6.471 13.282 6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.391 14.384 6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.037 13.311 8.183 1.00 0.00 H new ATOM 411 N PHE A 28 6.673 11.413 8.950 1.00 0.00 N ATOM 412 CA PHE A 28 7.597 11.020 10.055 1.00 0.00 C ATOM 413 C PHE A 28 8.861 10.364 9.498 1.00 0.00 C ATOM 414 O PHE A 28 9.960 10.645 9.930 1.00 0.00 O ATOM 415 CB PHE A 28 6.827 10.016 10.927 1.00 0.00 C ATOM 416 CG PHE A 28 5.350 10.060 10.614 1.00 0.00 C ATOM 417 CD1 PHE A 28 4.542 11.053 11.181 1.00 0.00 C ATOM 418 CD2 PHE A 28 4.793 9.107 9.755 1.00 0.00 C ATOM 419 CE1 PHE A 28 3.173 11.090 10.889 1.00 0.00 C ATOM 420 CE2 PHE A 28 3.424 9.143 9.463 1.00 0.00 C ATOM 421 CZ PHE A 28 2.614 10.135 10.030 1.00 0.00 C ATOM 0 H PHE A 28 5.903 10.767 8.777 1.00 0.00 H new ATOM 0 HA PHE A 28 7.910 11.893 10.627 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.210 9.010 10.757 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.987 10.244 11.981 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.974 11.789 11.843 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.419 8.343 9.317 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.548 11.855 11.326 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.993 8.406 8.801 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.558 10.164 9.805 1.00 0.00 H new ATOM 431 N ASN A 29 8.709 9.465 8.566 1.00 0.00 N ATOM 432 CA ASN A 29 9.900 8.760 8.011 1.00 0.00 C ATOM 433 C ASN A 29 10.703 9.651 7.057 1.00 0.00 C ATOM 434 O ASN A 29 11.906 9.533 6.962 1.00 0.00 O ATOM 435 CB ASN A 29 9.329 7.559 7.269 1.00 0.00 C ATOM 436 CG ASN A 29 9.680 6.279 8.032 1.00 0.00 C ATOM 437 OD1 ASN A 29 8.865 5.387 8.155 1.00 0.00 O ATOM 438 ND2 ASN A 29 10.868 6.151 8.556 1.00 0.00 N ATOM 0 H ASN A 29 7.813 9.188 8.164 1.00 0.00 H new ATOM 0 HA ASN A 29 10.596 8.476 8.801 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.247 7.655 7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.734 7.516 6.258 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.111 5.303 9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.554 6.899 8.454 1.00 0.00 H new ATOM 445 N LEU A 30 10.059 10.522 6.332 1.00 0.00 N ATOM 446 CA LEU A 30 10.814 11.382 5.372 1.00 0.00 C ATOM 447 C LEU A 30 11.904 12.180 6.097 1.00 0.00 C ATOM 448 O LEU A 30 13.048 12.170 5.689 1.00 0.00 O ATOM 449 CB LEU A 30 9.763 12.319 4.776 1.00 0.00 C ATOM 450 CG LEU A 30 9.417 11.875 3.352 1.00 0.00 C ATOM 451 CD1 LEU A 30 9.390 10.346 3.277 1.00 0.00 C ATOM 452 CD2 LEU A 30 8.040 12.422 2.973 1.00 0.00 C ATOM 0 H LEU A 30 9.051 10.677 6.360 1.00 0.00 H new ATOM 0 HA LEU A 30 11.322 10.794 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.866 12.315 5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.139 13.342 4.766 1.00 0.00 H new ATOM 0 HG LEU A 30 10.170 12.257 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.143 10.036 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.369 9.951 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.639 9.961 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.790 12.108 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.292 12.038 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.055 13.511 3.022 1.00 0.00 H new ATOM 464 N PRO A 31 11.520 12.839 7.155 1.00 0.00 N ATOM 465 CA PRO A 31 12.494 13.636 7.941 1.00 0.00 C ATOM 466 C PRO A 31 13.619 12.736 8.469 1.00 0.00 C ATOM 467 O PRO A 31 14.665 13.206 8.871 1.00 0.00 O ATOM 468 CB PRO A 31 11.668 14.201 9.098 1.00 0.00 C ATOM 469 CG PRO A 31 10.237 14.052 8.684 1.00 0.00 C ATOM 470 CD PRO A 31 10.169 12.910 7.706 1.00 0.00 C ATOM 0 HA PRO A 31 12.973 14.417 7.350 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.867 13.659 10.022 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.916 15.246 9.282 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.605 13.854 9.550 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.872 14.972 8.227 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.889 11.979 8.198 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.429 13.094 6.927 1.00 0.00 H new ATOM 478 N ARG A 32 13.412 11.446 8.470 1.00 0.00 N ATOM 479 CA ARG A 32 14.470 10.518 8.971 1.00 0.00 C ATOM 480 C ARG A 32 14.344 9.153 8.286 1.00 0.00 C ATOM 481 O ARG A 32 14.346 8.120 8.927 1.00 0.00 O ATOM 482 CB ARG A 32 14.208 10.390 10.473 1.00 0.00 C ATOM 483 CG ARG A 32 15.305 9.538 11.113 1.00 0.00 C ATOM 484 CD ARG A 32 14.673 8.336 11.818 1.00 0.00 C ATOM 485 NE ARG A 32 15.364 7.147 11.244 1.00 0.00 N ATOM 486 CZ ARG A 32 14.948 5.945 11.537 1.00 0.00 C ATOM 487 NH1 ARG A 32 13.927 5.781 12.332 1.00 0.00 N ATOM 488 NH2 ARG A 32 15.554 4.905 11.032 1.00 0.00 N ATOM 0 H ARG A 32 12.557 10.994 8.146 1.00 0.00 H new ATOM 0 HA ARG A 32 15.474 10.887 8.763 1.00 0.00 H new ATOM 0 HB2 ARG A 32 14.185 11.377 10.934 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.233 9.935 10.645 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.007 9.198 10.351 1.00 0.00 H new ATOM 0 HG3 ARG A 32 15.873 10.134 11.827 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.814 8.392 12.897 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.599 8.293 11.639 1.00 0.00 H new ATOM 0 HE ARG A 32 16.162 7.273 10.622 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.452 6.593 12.726 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.604 4.841 12.560 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.352 5.032 10.409 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.230 3.965 11.260 1.00 0.00 H new ATOM 502 N ASP A 33 14.257 9.144 6.985 1.00 0.00 N ATOM 503 CA ASP A 33 14.158 7.849 6.251 1.00 0.00 C ATOM 504 C ASP A 33 15.509 7.495 5.626 1.00 0.00 C ATOM 505 O ASP A 33 15.839 7.976 4.560 1.00 0.00 O ATOM 506 CB ASP A 33 13.114 8.092 5.157 1.00 0.00 C ATOM 507 CG ASP A 33 11.895 7.202 5.404 1.00 0.00 C ATOM 508 OD1 ASP A 33 11.901 6.480 6.386 1.00 0.00 O ATOM 509 OD2 ASP A 33 10.975 7.257 4.605 1.00 0.00 O ATOM 0 H ASP A 33 14.250 9.977 6.397 1.00 0.00 H new ATOM 0 HA ASP A 33 13.880 7.023 6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.816 9.140 5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.542 7.877 4.178 1.00 0.00 H new ATOM 514 N LYS A 34 16.299 6.660 6.249 1.00 0.00 N ATOM 515 CA LYS A 34 17.615 6.301 5.640 1.00 0.00 C ATOM 516 C LYS A 34 17.399 5.346 4.468 1.00 0.00 C ATOM 517 O LYS A 34 18.034 5.445 3.439 1.00 0.00 O ATOM 518 CB LYS A 34 18.412 5.605 6.749 1.00 0.00 C ATOM 519 CG LYS A 34 18.101 6.250 8.101 1.00 0.00 C ATOM 520 CD LYS A 34 18.214 7.771 7.985 1.00 0.00 C ATOM 521 CE LYS A 34 19.686 8.167 7.862 1.00 0.00 C ATOM 522 NZ LYS A 34 19.694 9.654 7.954 1.00 0.00 N ATOM 0 H LYS A 34 16.094 6.215 7.144 1.00 0.00 H new ATOM 0 HA LYS A 34 18.140 7.178 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.162 4.544 6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.479 5.676 6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.097 5.974 8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.793 5.881 8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.658 8.122 7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.771 8.247 8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.283 7.719 8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 34 20.108 7.828 6.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.671 10.001 7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.123 10.053 7.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.293 9.947 8.868 1.00 0.00 H new ATOM 536 N PHE A 35 16.505 4.416 4.630 1.00 0.00 N ATOM 537 CA PHE A 35 16.234 3.440 3.536 1.00 0.00 C ATOM 538 C PHE A 35 15.448 4.112 2.406 1.00 0.00 C ATOM 539 O PHE A 35 15.623 3.800 1.245 1.00 0.00 O ATOM 540 CB PHE A 35 15.408 2.326 4.187 1.00 0.00 C ATOM 541 CG PHE A 35 14.117 2.892 4.733 1.00 0.00 C ATOM 542 CD1 PHE A 35 14.064 3.374 6.047 1.00 0.00 C ATOM 543 CD2 PHE A 35 12.973 2.931 3.928 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.868 3.893 6.556 1.00 0.00 C ATOM 545 CE2 PHE A 35 11.776 3.452 4.437 1.00 0.00 C ATOM 546 CZ PHE A 35 11.724 3.933 5.750 1.00 0.00 C ATOM 0 H PHE A 35 15.947 4.287 5.474 1.00 0.00 H new ATOM 0 HA PHE A 35 17.152 3.054 3.092 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.193 1.547 3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.979 1.860 4.990 1.00 0.00 H new ATOM 0 HD1 PHE A 35 14.947 3.345 6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 35 13.013 2.560 2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.828 4.262 7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.893 3.482 3.816 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.801 4.335 6.142 1.00 0.00 H new ATOM 556 N LEU A 36 14.581 5.030 2.736 1.00 0.00 N ATOM 557 CA LEU A 36 13.783 5.717 1.678 1.00 0.00 C ATOM 558 C LEU A 36 14.647 6.740 0.931 1.00 0.00 C ATOM 559 O LEU A 36 14.576 6.859 -0.276 1.00 0.00 O ATOM 560 CB LEU A 36 12.649 6.416 2.425 1.00 0.00 C ATOM 561 CG LEU A 36 11.329 6.179 1.686 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.507 6.493 0.198 1.00 0.00 C ATOM 563 CD2 LEU A 36 10.909 4.717 1.850 1.00 0.00 C ATOM 0 H LEU A 36 14.390 5.334 3.691 1.00 0.00 H new ATOM 0 HA LEU A 36 13.409 5.018 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.581 6.035 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.851 7.485 2.497 1.00 0.00 H new ATOM 0 HG LEU A 36 10.560 6.830 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.566 6.323 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.805 7.535 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.277 5.845 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.969 4.547 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.680 4.068 1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.778 4.493 2.909 1.00 0.00 H new ATOM 575 N LYS A 37 15.467 7.472 1.636 1.00 0.00 N ATOM 576 CA LYS A 37 16.337 8.478 0.955 1.00 0.00 C ATOM 577 C LYS A 37 17.246 7.777 -0.053 1.00 0.00 C ATOM 578 O LYS A 37 17.560 8.301 -1.103 1.00 0.00 O ATOM 579 CB LYS A 37 17.177 9.107 2.063 1.00 0.00 C ATOM 580 CG LYS A 37 17.797 8.011 2.929 1.00 0.00 C ATOM 581 CD LYS A 37 19.235 7.756 2.477 1.00 0.00 C ATOM 582 CE LYS A 37 20.180 8.705 3.217 1.00 0.00 C ATOM 583 NZ LYS A 37 21.393 8.789 2.357 1.00 0.00 N ATOM 0 H LYS A 37 15.573 7.419 2.649 1.00 0.00 H new ATOM 0 HA LYS A 37 15.754 9.224 0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.961 9.728 1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.556 9.760 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 37 17.782 8.309 3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.212 7.095 2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 37 19.512 6.721 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 37 19.321 7.906 1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 37 19.726 9.686 3.355 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.425 8.324 4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 22.089 9.423 2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 21.808 7.842 2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 21.131 9.161 1.422 1.00 0.00 H new ATOM 597 N GLU A 38 17.658 6.587 0.266 1.00 0.00 N ATOM 598 CA GLU A 38 18.540 5.822 -0.658 1.00 0.00 C ATOM 599 C GLU A 38 17.765 5.449 -1.926 1.00 0.00 C ATOM 600 O GLU A 38 18.250 5.601 -3.031 1.00 0.00 O ATOM 601 CB GLU A 38 18.938 4.566 0.117 1.00 0.00 C ATOM 602 CG GLU A 38 20.299 4.783 0.778 1.00 0.00 C ATOM 603 CD GLU A 38 21.118 3.492 0.700 1.00 0.00 C ATOM 604 OE1 GLU A 38 20.661 2.492 1.228 1.00 0.00 O ATOM 605 OE2 GLU A 38 22.186 3.526 0.112 1.00 0.00 O ATOM 0 H GLU A 38 17.421 6.105 1.133 1.00 0.00 H new ATOM 0 HA GLU A 38 19.412 6.396 -0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.187 4.340 0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.981 3.709 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.831 5.594 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 38 20.166 5.079 1.818 1.00 0.00 H new ATOM 612 N GLN A 39 16.563 4.961 -1.775 1.00 0.00 N ATOM 613 CA GLN A 39 15.755 4.576 -2.967 1.00 0.00 C ATOM 614 C GLN A 39 15.286 5.822 -3.724 1.00 0.00 C ATOM 615 O GLN A 39 15.374 5.896 -4.933 1.00 0.00 O ATOM 616 CB GLN A 39 14.556 3.810 -2.407 1.00 0.00 C ATOM 617 CG GLN A 39 14.323 2.544 -3.236 1.00 0.00 C ATOM 618 CD GLN A 39 14.491 2.864 -4.723 1.00 0.00 C ATOM 619 OE1 GLN A 39 13.950 3.946 -5.211 1.00 0.00 O flip ATOM 620 NE2 GLN A 39 15.122 2.121 -5.449 1.00 0.00 N flip ATOM 0 H GLN A 39 16.105 4.812 -0.876 1.00 0.00 H new ATOM 0 HA GLN A 39 16.331 3.977 -3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 39 14.735 3.547 -1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.667 4.440 -2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.029 1.768 -2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.323 2.154 -3.049 1.00 0.00 H new ATOM 0 HE21 GLN A 39 15.546 1.275 -5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.228 2.344 -6.439 1.00 0.00 H new ATOM 629 N ILE A 40 14.784 6.802 -3.022 1.00 0.00 N ATOM 630 CA ILE A 40 14.310 8.034 -3.715 1.00 0.00 C ATOM 631 C ILE A 40 15.464 8.665 -4.499 1.00 0.00 C ATOM 632 O ILE A 40 15.283 9.176 -5.587 1.00 0.00 O ATOM 633 CB ILE A 40 13.824 8.975 -2.610 1.00 0.00 C ATOM 634 CG1 ILE A 40 15.025 9.526 -1.838 1.00 0.00 C ATOM 635 CG2 ILE A 40 12.906 8.216 -1.650 1.00 0.00 C ATOM 636 CD1 ILE A 40 14.556 10.633 -0.890 1.00 0.00 C ATOM 0 H ILE A 40 14.682 6.804 -2.007 1.00 0.00 H new ATOM 0 HA ILE A 40 13.513 7.822 -4.428 1.00 0.00 H new ATOM 0 HB ILE A 40 13.272 9.800 -3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.505 8.727 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.769 9.917 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.563 8.890 -0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.047 7.829 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.454 7.387 -1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 40 15.410 11.027 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.095 11.435 -1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.828 10.227 -0.188 1.00 0.00 H new ATOM 648 N LYS A 41 16.649 8.634 -3.953 1.00 0.00 N ATOM 649 CA LYS A 41 17.815 9.233 -4.662 1.00 0.00 C ATOM 650 C LYS A 41 18.274 8.319 -5.803 1.00 0.00 C ATOM 651 O LYS A 41 18.833 8.769 -6.783 1.00 0.00 O ATOM 652 CB LYS A 41 18.907 9.350 -3.599 1.00 0.00 C ATOM 653 CG LYS A 41 20.200 9.847 -4.248 1.00 0.00 C ATOM 654 CD LYS A 41 20.137 11.366 -4.417 1.00 0.00 C ATOM 655 CE LYS A 41 21.308 11.834 -5.285 1.00 0.00 C ATOM 656 NZ LYS A 41 21.804 13.072 -4.623 1.00 0.00 N ATOM 0 H LYS A 41 16.860 8.219 -3.045 1.00 0.00 H new ATOM 0 HA LYS A 41 17.573 10.197 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.593 10.039 -2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 41 19.074 8.382 -3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.057 9.575 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.340 9.368 -5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.192 11.652 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.176 11.853 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.088 11.075 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.987 12.034 -6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.609 13.454 -5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.042 13.779 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.109 12.849 -3.654 1.00 0.00 H new ATOM 670 N LEU A 42 18.044 7.039 -5.684 1.00 0.00 N ATOM 671 CA LEU A 42 18.471 6.105 -6.766 1.00 0.00 C ATOM 672 C LEU A 42 17.899 6.563 -8.110 1.00 0.00 C ATOM 673 O LEU A 42 18.496 7.355 -8.811 1.00 0.00 O ATOM 674 CB LEU A 42 17.892 4.746 -6.369 1.00 0.00 C ATOM 675 CG LEU A 42 18.947 3.945 -5.605 1.00 0.00 C ATOM 676 CD1 LEU A 42 18.328 2.645 -5.090 1.00 0.00 C ATOM 677 CD2 LEU A 42 20.114 3.618 -6.539 1.00 0.00 C ATOM 0 H LEU A 42 17.581 6.601 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 42 19.555 6.067 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 42 17.006 4.883 -5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.578 4.199 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 42 19.309 4.534 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.080 2.074 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 42 17.496 2.877 -4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.965 2.056 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 42 20.866 3.047 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 42 19.752 3.030 -7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 42 20.557 4.544 -6.906 1.00 0.00 H new ATOM 689 N ASP A 43 16.744 6.075 -8.472 1.00 0.00 N ATOM 690 CA ASP A 43 16.135 6.489 -9.768 1.00 0.00 C ATOM 691 C ASP A 43 15.652 7.939 -9.674 1.00 0.00 C ATOM 692 O ASP A 43 16.370 8.811 -9.227 1.00 0.00 O ATOM 693 CB ASP A 43 14.957 5.537 -9.973 1.00 0.00 C ATOM 694 CG ASP A 43 15.439 4.091 -9.837 1.00 0.00 C ATOM 695 OD1 ASP A 43 16.290 3.696 -10.617 1.00 0.00 O ATOM 696 OD2 ASP A 43 14.950 3.406 -8.954 1.00 0.00 O ATOM 0 H ASP A 43 16.196 5.409 -7.927 1.00 0.00 H new ATOM 0 HA ASP A 43 16.840 6.441 -10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 43 14.178 5.742 -9.239 1.00 0.00 H new ATOM 0 HB3 ASP A 43 14.516 5.694 -10.958 1.00 0.00 H new ATOM 701 N GLU A 44 14.440 8.206 -10.080 1.00 0.00 N ATOM 702 CA GLU A 44 13.920 9.600 -9.999 1.00 0.00 C ATOM 703 C GLU A 44 13.103 9.771 -8.715 1.00 0.00 C ATOM 704 O GLU A 44 12.398 10.743 -8.538 1.00 0.00 O ATOM 705 CB GLU A 44 13.025 9.763 -11.229 1.00 0.00 C ATOM 706 CG GLU A 44 12.995 11.232 -11.648 1.00 0.00 C ATOM 707 CD GLU A 44 12.501 11.341 -13.092 1.00 0.00 C ATOM 708 OE1 GLU A 44 11.316 11.149 -13.309 1.00 0.00 O ATOM 709 OE2 GLU A 44 13.317 11.615 -13.957 1.00 0.00 O ATOM 0 H GLU A 44 13.789 7.520 -10.463 1.00 0.00 H new ATOM 0 HA GLU A 44 14.717 10.343 -9.978 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.399 9.148 -12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.016 9.417 -11.006 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.340 11.797 -10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.991 11.667 -11.559 1.00 0.00 H new ATOM 716 N GLY A 45 13.191 8.822 -7.824 1.00 0.00 N ATOM 717 CA GLY A 45 12.418 8.911 -6.555 1.00 0.00 C ATOM 718 C GLY A 45 11.401 7.773 -6.508 1.00 0.00 C ATOM 719 O GLY A 45 10.825 7.479 -5.479 1.00 0.00 O ATOM 0 H GLY A 45 13.767 7.986 -7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.091 8.849 -5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.909 9.873 -6.491 1.00 0.00 H new ATOM 723 N TRP A 46 11.168 7.137 -7.624 1.00 0.00 N ATOM 724 CA TRP A 46 10.179 6.024 -7.659 1.00 0.00 C ATOM 725 C TRP A 46 10.673 4.824 -6.844 1.00 0.00 C ATOM 726 O TRP A 46 11.699 4.240 -7.132 1.00 0.00 O ATOM 727 CB TRP A 46 10.062 5.647 -9.135 1.00 0.00 C ATOM 728 CG TRP A 46 9.160 6.616 -9.830 1.00 0.00 C ATOM 729 CD1 TRP A 46 9.518 7.393 -10.877 1.00 0.00 C ATOM 730 CD2 TRP A 46 7.763 6.925 -9.548 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.430 8.158 -11.259 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.325 7.906 -10.469 1.00 0.00 C ATOM 733 CE3 TRP A 46 6.843 6.454 -8.592 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.021 8.402 -10.445 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.528 6.952 -8.565 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.119 7.924 -9.490 1.00 0.00 C ATOM 0 H TRP A 46 11.621 7.341 -8.515 1.00 0.00 H new ATOM 0 HA TRP A 46 9.223 6.321 -7.227 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.047 5.653 -9.601 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.669 4.635 -9.232 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.494 7.413 -11.340 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.442 8.826 -12.030 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.149 5.706 -7.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.711 9.150 -11.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.829 6.584 -7.828 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.108 8.303 -9.464 1.00 0.00 H new ATOM 747 N VAL A 47 9.932 4.445 -5.842 1.00 0.00 N ATOM 748 CA VAL A 47 10.336 3.270 -5.018 1.00 0.00 C ATOM 749 C VAL A 47 9.504 2.055 -5.424 1.00 0.00 C ATOM 750 O VAL A 47 8.344 2.181 -5.760 1.00 0.00 O ATOM 751 CB VAL A 47 10.046 3.654 -3.566 1.00 0.00 C ATOM 752 CG1 VAL A 47 10.445 2.496 -2.642 1.00 0.00 C ATOM 753 CG2 VAL A 47 10.854 4.899 -3.196 1.00 0.00 C ATOM 0 H VAL A 47 9.063 4.897 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 47 11.387 3.015 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 47 8.982 3.863 -3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 47 10.239 2.769 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.871 1.607 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.509 2.288 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.647 5.173 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.918 4.690 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.574 5.723 -3.852 1.00 0.00 H new ATOM 763 N PRO A 48 10.126 0.913 -5.384 1.00 0.00 N ATOM 764 CA PRO A 48 9.450 -0.336 -5.751 1.00 0.00 C ATOM 765 C PRO A 48 8.806 -0.950 -4.510 1.00 0.00 C ATOM 766 O PRO A 48 9.367 -0.930 -3.432 1.00 0.00 O ATOM 767 CB PRO A 48 10.589 -1.211 -6.260 1.00 0.00 C ATOM 768 CG PRO A 48 11.838 -0.663 -5.625 1.00 0.00 C ATOM 769 CD PRO A 48 11.504 0.668 -4.993 1.00 0.00 C ATOM 0 HA PRO A 48 8.656 -0.210 -6.487 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.435 -2.254 -5.984 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.654 -1.175 -7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.217 -1.356 -4.874 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.622 -0.542 -6.372 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.610 0.632 -3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.166 1.456 -5.352 1.00 0.00 H new ATOM 777 N LEU A 49 7.634 -1.488 -4.651 1.00 0.00 N ATOM 778 CA LEU A 49 6.952 -2.096 -3.472 1.00 0.00 C ATOM 779 C LEU A 49 7.781 -3.255 -2.912 1.00 0.00 C ATOM 780 O LEU A 49 7.409 -3.879 -1.939 1.00 0.00 O ATOM 781 CB LEU A 49 5.613 -2.604 -4.008 1.00 0.00 C ATOM 782 CG LEU A 49 4.785 -1.422 -4.509 1.00 0.00 C ATOM 783 CD1 LEU A 49 3.830 -1.898 -5.603 1.00 0.00 C ATOM 784 CD2 LEU A 49 3.979 -0.835 -3.347 1.00 0.00 C ATOM 0 H LEU A 49 7.115 -1.536 -5.528 1.00 0.00 H new ATOM 0 HA LEU A 49 6.823 -1.381 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.779 -3.315 -4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.073 -3.134 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 49 5.449 -0.658 -4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.238 -1.056 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.404 -2.317 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.166 -2.662 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.388 0.009 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.315 -1.599 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.660 -0.496 -2.566 1.00 0.00 H new ATOM 796 N GLU A 50 8.909 -3.537 -3.504 1.00 0.00 N ATOM 797 CA GLU A 50 9.761 -4.641 -2.980 1.00 0.00 C ATOM 798 C GLU A 50 10.309 -4.229 -1.618 1.00 0.00 C ATOM 799 O GLU A 50 10.356 -5.006 -0.684 1.00 0.00 O ATOM 800 CB GLU A 50 10.894 -4.811 -3.991 1.00 0.00 C ATOM 801 CG GLU A 50 11.640 -3.489 -4.176 1.00 0.00 C ATOM 802 CD GLU A 50 12.357 -3.500 -5.527 1.00 0.00 C ATOM 803 OE1 GLU A 50 11.727 -3.864 -6.507 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.524 -3.146 -5.560 1.00 0.00 O ATOM 0 H GLU A 50 9.276 -3.053 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 50 9.212 -5.575 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.584 -5.582 -3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.491 -5.146 -4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.941 -2.654 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.360 -3.348 -3.370 1.00 0.00 H new ATOM 811 N ILE A 51 10.706 -2.998 -1.502 1.00 0.00 N ATOM 812 CA ILE A 51 11.234 -2.496 -0.204 1.00 0.00 C ATOM 813 C ILE A 51 10.085 -2.359 0.797 1.00 0.00 C ATOM 814 O ILE A 51 10.238 -2.608 1.976 1.00 0.00 O ATOM 815 CB ILE A 51 11.827 -1.124 -0.520 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.965 -1.283 -1.528 1.00 0.00 C ATOM 817 CG2 ILE A 51 12.368 -0.494 0.764 1.00 0.00 C ATOM 818 CD1 ILE A 51 13.354 0.091 -2.070 1.00 0.00 C ATOM 0 H ILE A 51 10.688 -2.310 -2.255 1.00 0.00 H new ATOM 0 HA ILE A 51 11.974 -3.166 0.234 1.00 0.00 H new ATOM 0 HB ILE A 51 11.054 -0.482 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 51 13.824 -1.756 -1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.654 -1.934 -2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.791 0.485 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.557 -0.382 1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.142 -1.135 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 51 14.166 -0.018 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.493 0.546 -2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.681 0.727 -1.248 1.00 0.00 H new ATOM 830 N MET A 52 8.932 -1.971 0.324 1.00 0.00 N ATOM 831 CA MET A 52 7.763 -1.822 1.237 1.00 0.00 C ATOM 832 C MET A 52 7.168 -3.192 1.572 1.00 0.00 C ATOM 833 O MET A 52 6.811 -3.466 2.700 1.00 0.00 O ATOM 834 CB MET A 52 6.755 -0.982 0.449 1.00 0.00 C ATOM 835 CG MET A 52 7.060 0.502 0.647 1.00 0.00 C ATOM 836 SD MET A 52 6.902 0.922 2.400 1.00 0.00 S ATOM 837 CE MET A 52 7.720 2.533 2.318 1.00 0.00 C ATOM 0 H MET A 52 8.749 -1.751 -0.655 1.00 0.00 H new ATOM 0 HA MET A 52 8.037 -1.357 2.184 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.804 -1.236 -0.610 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.741 -1.203 0.783 1.00 0.00 H new ATOM 0 HG2 MET A 52 8.068 0.727 0.298 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.375 1.107 0.054 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.366 2.658 3.187 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.319 2.591 1.409 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.969 3.323 2.308 1.00 0.00 H new ATOM 847 N ILE A 53 7.027 -4.042 0.591 1.00 0.00 N ATOM 848 CA ILE A 53 6.416 -5.378 0.847 1.00 0.00 C ATOM 849 C ILE A 53 7.254 -6.191 1.834 1.00 0.00 C ATOM 850 O ILE A 53 6.718 -6.887 2.673 1.00 0.00 O ATOM 851 CB ILE A 53 6.385 -6.076 -0.511 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.734 -7.454 -0.350 1.00 0.00 C ATOM 853 CG2 ILE A 53 7.814 -6.238 -1.032 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.227 -8.397 -1.449 1.00 0.00 C ATOM 0 H ILE A 53 7.308 -3.870 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 53 5.423 -5.280 1.287 1.00 0.00 H new ATOM 0 HB ILE A 53 5.810 -5.481 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.975 -7.867 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.649 -7.361 -0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.794 -6.736 -2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.276 -5.256 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.392 -6.837 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.759 -9.374 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.964 -7.988 -2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.310 -8.502 -1.380 1.00 0.00 H new ATOM 866 N LYS A 54 8.556 -6.120 1.762 1.00 0.00 N ATOM 867 CA LYS A 54 9.383 -6.903 2.721 1.00 0.00 C ATOM 868 C LYS A 54 9.525 -6.132 4.033 1.00 0.00 C ATOM 869 O LYS A 54 9.664 -6.708 5.093 1.00 0.00 O ATOM 870 CB LYS A 54 10.742 -7.061 2.040 1.00 0.00 C ATOM 871 CG LYS A 54 11.623 -7.999 2.866 1.00 0.00 C ATOM 872 CD LYS A 54 13.067 -7.915 2.367 1.00 0.00 C ATOM 873 CE LYS A 54 13.956 -7.339 3.472 1.00 0.00 C ATOM 874 NZ LYS A 54 15.328 -7.323 2.891 1.00 0.00 N ATOM 0 H LYS A 54 9.077 -5.560 1.088 1.00 0.00 H new ATOM 0 HA LYS A 54 8.939 -7.869 2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.612 -7.460 1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.224 -6.089 1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.575 -7.726 3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.258 -9.023 2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.422 -8.905 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.120 -7.286 1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.635 -6.336 3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.915 -7.953 4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.996 -6.940 3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.609 -8.292 2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.338 -6.726 2.040 1.00 0.00 H new ATOM 888 N PHE A 55 9.484 -4.830 3.968 1.00 0.00 N ATOM 889 CA PHE A 55 9.611 -4.018 5.211 1.00 0.00 C ATOM 890 C PHE A 55 8.651 -4.552 6.277 1.00 0.00 C ATOM 891 O PHE A 55 7.518 -4.888 5.994 1.00 0.00 O ATOM 892 CB PHE A 55 9.229 -2.596 4.797 1.00 0.00 C ATOM 893 CG PHE A 55 10.436 -1.695 4.917 1.00 0.00 C ATOM 894 CD1 PHE A 55 11.224 -1.733 6.074 1.00 0.00 C ATOM 895 CD2 PHE A 55 10.769 -0.821 3.873 1.00 0.00 C ATOM 896 CE1 PHE A 55 12.343 -0.900 6.189 1.00 0.00 C ATOM 897 CE2 PHE A 55 11.889 0.011 3.988 1.00 0.00 C ATOM 898 CZ PHE A 55 12.676 -0.028 5.145 1.00 0.00 C ATOM 0 H PHE A 55 9.368 -4.293 3.108 1.00 0.00 H new ATOM 0 HA PHE A 55 10.614 -4.055 5.637 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.859 -2.591 3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.422 -2.226 5.429 1.00 0.00 H new ATOM 0 HD1 PHE A 55 10.968 -2.406 6.879 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.162 -0.789 2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 55 12.949 -0.930 7.082 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.146 0.684 3.183 1.00 0.00 H new ATOM 0 HZ PHE A 55 13.540 0.614 5.233 1.00 0.00 H new ATOM 908 N ASN A 56 9.095 -4.640 7.499 1.00 0.00 N ATOM 909 CA ASN A 56 8.210 -5.160 8.581 1.00 0.00 C ATOM 910 C ASN A 56 6.922 -4.337 8.661 1.00 0.00 C ATOM 911 O ASN A 56 5.917 -4.788 9.172 1.00 0.00 O ATOM 912 CB ASN A 56 9.025 -5.005 9.866 1.00 0.00 C ATOM 913 CG ASN A 56 10.408 -5.628 9.671 1.00 0.00 C ATOM 914 OD1 ASN A 56 10.543 -6.645 9.020 1.00 0.00 O ATOM 915 ND2 ASN A 56 11.449 -5.057 10.212 1.00 0.00 N ATOM 0 H ASN A 56 10.034 -4.374 7.797 1.00 0.00 H new ATOM 0 HA ASN A 56 7.912 -6.194 8.406 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.122 -3.950 10.122 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.510 -5.489 10.696 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.376 -5.464 10.088 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.336 -4.203 10.759 1.00 0.00 H new ATOM 922 N ARG A 57 6.944 -3.131 8.164 1.00 0.00 N ATOM 923 CA ARG A 57 5.721 -2.280 8.217 1.00 0.00 C ATOM 924 C ARG A 57 4.655 -2.800 7.245 1.00 0.00 C ATOM 925 O ARG A 57 3.475 -2.594 7.441 1.00 0.00 O ATOM 926 CB ARG A 57 6.192 -0.886 7.800 1.00 0.00 C ATOM 927 CG ARG A 57 7.233 -0.377 8.798 1.00 0.00 C ATOM 928 CD ARG A 57 6.556 0.532 9.825 1.00 0.00 C ATOM 929 NE ARG A 57 5.902 -0.396 10.788 1.00 0.00 N ATOM 930 CZ ARG A 57 6.624 -1.072 11.640 1.00 0.00 C ATOM 931 NH1 ARG A 57 7.923 -0.935 11.649 1.00 0.00 N ATOM 932 NH2 ARG A 57 6.050 -1.886 12.482 1.00 0.00 N ATOM 0 H ARG A 57 7.756 -2.698 7.723 1.00 0.00 H new ATOM 0 HA ARG A 57 5.266 -2.282 9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.620 -0.920 6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.345 -0.201 7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.712 -1.218 9.301 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.017 0.170 8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.283 1.172 10.325 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.826 1.188 9.351 1.00 0.00 H new ATOM 0 HE ARG A 57 4.888 -0.504 10.782 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.373 -0.300 10.990 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.487 -1.463 12.315 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.036 -1.995 12.475 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.615 -2.414 13.147 1.00 0.00 H new ATOM 946 N LEU A 58 5.058 -3.464 6.196 1.00 0.00 N ATOM 947 CA LEU A 58 4.057 -3.983 5.217 1.00 0.00 C ATOM 948 C LEU A 58 4.005 -5.513 5.256 1.00 0.00 C ATOM 949 O LEU A 58 2.944 -6.105 5.307 1.00 0.00 O ATOM 950 CB LEU A 58 4.551 -3.499 3.854 1.00 0.00 C ATOM 951 CG LEU A 58 3.382 -2.906 3.066 1.00 0.00 C ATOM 952 CD1 LEU A 58 2.380 -4.010 2.730 1.00 0.00 C ATOM 953 CD2 LEU A 58 2.693 -1.831 3.909 1.00 0.00 C ATOM 0 H LEU A 58 6.032 -3.670 5.974 1.00 0.00 H new ATOM 0 HA LEU A 58 3.049 -3.631 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.332 -2.750 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.993 -4.328 3.301 1.00 0.00 H new ATOM 0 HG LEU A 58 3.755 -2.462 2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.547 -3.587 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.871 -4.776 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.007 -4.456 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.860 -1.408 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.321 -2.276 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.407 -1.043 4.148 1.00 0.00 H new ATOM 965 N ASN A 59 5.137 -6.160 5.228 1.00 0.00 N ATOM 966 CA ASN A 59 5.142 -7.652 5.259 1.00 0.00 C ATOM 967 C ASN A 59 4.375 -8.156 6.485 1.00 0.00 C ATOM 968 O ASN A 59 3.908 -9.278 6.519 1.00 0.00 O ATOM 969 CB ASN A 59 6.619 -8.044 5.340 1.00 0.00 C ATOM 970 CG ASN A 59 6.748 -9.456 5.915 1.00 0.00 C ATOM 971 OD1 ASN A 59 6.556 -9.663 7.097 1.00 0.00 O ATOM 972 ND2 ASN A 59 7.067 -10.443 5.123 1.00 0.00 N ATOM 0 H ASN A 59 6.057 -5.723 5.185 1.00 0.00 H new ATOM 0 HA ASN A 59 4.658 -8.087 4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.071 -8.002 4.349 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.159 -7.335 5.967 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.155 -11.388 5.496 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.228 -10.269 4.131 1.00 0.00 H new ATOM 979 N ARG A 60 4.239 -7.337 7.491 1.00 0.00 N ATOM 980 CA ARG A 60 3.499 -7.771 8.711 1.00 0.00 C ATOM 981 C ARG A 60 2.017 -7.979 8.387 1.00 0.00 C ATOM 982 O ARG A 60 1.303 -8.648 9.107 1.00 0.00 O ATOM 983 CB ARG A 60 3.673 -6.623 9.707 1.00 0.00 C ATOM 984 CG ARG A 60 4.679 -7.033 10.783 1.00 0.00 C ATOM 985 CD ARG A 60 4.319 -6.353 12.106 1.00 0.00 C ATOM 986 NE ARG A 60 5.490 -6.597 12.994 1.00 0.00 N ATOM 987 CZ ARG A 60 5.652 -7.763 13.559 1.00 0.00 C ATOM 988 NH1 ARG A 60 4.787 -8.719 13.347 1.00 0.00 N ATOM 989 NH2 ARG A 60 6.678 -7.974 14.336 1.00 0.00 N ATOM 0 H ARG A 60 4.608 -6.386 7.522 1.00 0.00 H new ATOM 0 HA ARG A 60 3.872 -8.716 9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.021 -5.728 9.191 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.715 -6.375 10.164 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.675 -8.116 10.906 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.687 -6.751 10.480 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.144 -5.286 11.967 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.407 -6.773 12.531 1.00 0.00 H new ATOM 0 HE ARG A 60 6.166 -5.852 13.161 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.984 -8.555 12.740 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.915 -9.629 13.789 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.354 -7.228 14.502 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.805 -8.885 14.777 1.00 0.00 H new ATOM 1003 N LEU A 61 1.550 -7.408 7.312 1.00 0.00 N ATOM 1004 CA LEU A 61 0.113 -7.571 6.945 1.00 0.00 C ATOM 1005 C LEU A 61 -0.017 -8.127 5.522 1.00 0.00 C ATOM 1006 O LEU A 61 0.136 -9.310 5.293 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.480 -6.165 7.030 1.00 0.00 C ATOM 1008 CG LEU A 61 -0.852 -5.853 8.480 1.00 0.00 C ATOM 1009 CD1 LEU A 61 0.414 -5.511 9.270 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -1.812 -4.662 8.514 1.00 0.00 C ATOM 0 H LEU A 61 2.100 -6.836 6.671 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.402 -8.271 7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.239 -5.433 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.362 -6.092 6.394 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.335 -6.722 8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.149 -5.289 10.304 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.098 -6.359 9.245 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.897 -4.642 8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.078 -4.439 9.547 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.329 -3.793 8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.714 -4.905 7.952 1.00 0.00 H new ATOM 1022 N THR A 62 -0.301 -7.285 4.565 1.00 0.00 N ATOM 1023 CA THR A 62 -0.444 -7.771 3.161 1.00 0.00 C ATOM 1024 C THR A 62 0.782 -7.375 2.335 1.00 0.00 C ATOM 1025 O THR A 62 1.427 -6.381 2.599 1.00 0.00 O ATOM 1026 CB THR A 62 -1.699 -7.077 2.628 1.00 0.00 C ATOM 1027 OG1 THR A 62 -2.852 -7.751 3.115 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.695 -7.105 1.097 1.00 0.00 C ATOM 0 H THR A 62 -0.440 -6.283 4.694 1.00 0.00 H new ATOM 0 HA THR A 62 -0.524 -8.857 3.106 1.00 0.00 H new ATOM 0 HB THR A 62 -1.712 -6.041 2.966 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.156 -8.402 2.449 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.591 -6.610 0.722 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.811 -6.586 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.681 -8.139 0.752 1.00 0.00 H new ATOM 1036 N THR A 63 1.108 -8.147 1.335 1.00 0.00 N ATOM 1037 CA THR A 63 2.290 -7.814 0.490 1.00 0.00 C ATOM 1038 C THR A 63 1.941 -7.974 -0.991 1.00 0.00 C ATOM 1039 O THR A 63 2.789 -7.864 -1.855 1.00 0.00 O ATOM 1040 CB THR A 63 3.367 -8.819 0.901 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.750 -10.023 1.335 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.205 -8.232 2.037 1.00 0.00 C ATOM 0 H THR A 63 0.607 -8.994 1.066 1.00 0.00 H new ATOM 0 HA THR A 63 2.621 -6.785 0.628 1.00 0.00 H new ATOM 0 HB THR A 63 4.012 -9.031 0.049 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.440 -10.668 1.597 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.973 -8.948 2.330 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.678 -7.310 1.701 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.562 -8.019 2.891 1.00 0.00 H new ATOM 1050 N ASP A 64 0.697 -8.229 -1.292 1.00 0.00 N ATOM 1051 CA ASP A 64 0.294 -8.390 -2.718 1.00 0.00 C ATOM 1052 C ASP A 64 0.554 -7.092 -3.481 1.00 0.00 C ATOM 1053 O ASP A 64 -0.235 -6.169 -3.440 1.00 0.00 O ATOM 1054 CB ASP A 64 -1.203 -8.697 -2.675 1.00 0.00 C ATOM 1055 CG ASP A 64 -1.419 -10.209 -2.761 1.00 0.00 C ATOM 1056 OD1 ASP A 64 -0.471 -10.906 -3.084 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -2.529 -10.645 -2.503 1.00 0.00 O ATOM 0 H ASP A 64 -0.057 -8.333 -0.613 1.00 0.00 H new ATOM 0 HA ASP A 64 0.854 -9.177 -3.223 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.638 -8.309 -1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.711 -8.199 -3.501 1.00 0.00 H new ATOM 1062 N PHE A 65 1.657 -7.014 -4.178 1.00 0.00 N ATOM 1063 CA PHE A 65 1.973 -5.774 -4.946 1.00 0.00 C ATOM 1064 C PHE A 65 0.696 -5.173 -5.538 1.00 0.00 C ATOM 1065 O PHE A 65 0.509 -3.974 -5.550 1.00 0.00 O ATOM 1066 CB PHE A 65 2.913 -6.235 -6.061 1.00 0.00 C ATOM 1067 CG PHE A 65 4.340 -5.903 -5.698 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.743 -5.901 -4.357 1.00 0.00 C ATOM 1069 CD2 PHE A 65 5.265 -5.599 -6.705 1.00 0.00 C ATOM 1070 CE1 PHE A 65 6.067 -5.595 -4.023 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.588 -5.293 -6.372 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.990 -5.292 -5.031 1.00 0.00 C ATOM 0 H PHE A 65 2.353 -7.756 -4.249 1.00 0.00 H new ATOM 0 HA PHE A 65 2.423 -5.003 -4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.808 -7.309 -6.216 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.645 -5.749 -6.999 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.031 -6.136 -3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.956 -5.601 -7.740 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.377 -5.593 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.300 -5.057 -7.149 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.012 -5.057 -4.774 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.181 -6.001 -6.036 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.445 -5.482 -6.635 1.00 0.00 C ATOM 1084 C ASN A 66 -2.387 -4.952 -5.548 1.00 0.00 C ATOM 1085 O ASN A 66 -3.059 -3.956 -5.732 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.070 -6.686 -7.340 1.00 0.00 C ATOM 1087 CG ASN A 66 -1.606 -6.723 -8.797 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -0.688 -6.021 -9.172 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -2.207 -7.516 -9.640 1.00 0.00 N ATOM 0 H ASN A 66 -0.077 -7.016 -6.054 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.260 -4.652 -7.317 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.783 -7.607 -6.833 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.157 -6.623 -7.295 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.906 -7.547 -10.614 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.978 -8.105 -9.325 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.454 -5.611 -4.421 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.365 -5.143 -3.335 1.00 0.00 C ATOM 1098 C VAL A 67 -2.840 -3.850 -2.702 1.00 0.00 C ATOM 1099 O VAL A 67 -3.589 -2.929 -2.440 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.368 -6.277 -2.311 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -3.973 -5.778 -0.998 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -4.204 -7.442 -2.846 1.00 0.00 C ATOM 0 H VAL A 67 -1.918 -6.452 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.364 -4.920 -3.709 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.345 -6.611 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.975 -6.587 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.380 -4.947 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.996 -5.444 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.207 -8.252 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.226 -7.106 -3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.774 -7.798 -3.782 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.563 -3.774 -2.444 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.003 -2.540 -1.816 1.00 0.00 C ATOM 1114 C ILE A 68 -1.204 -1.340 -2.736 1.00 0.00 C ATOM 1115 O ILE A 68 -1.658 -0.290 -2.326 1.00 0.00 O ATOM 1116 CB ILE A 68 0.488 -2.825 -1.692 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.731 -3.852 -0.590 1.00 0.00 C ATOM 1118 CG2 ILE A 68 1.226 -1.529 -1.376 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.065 -5.191 -1.243 1.00 0.00 C ATOM 0 H ILE A 68 -0.884 -4.509 -2.639 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.481 -2.311 -0.863 1.00 0.00 H new ATOM 0 HB ILE A 68 0.860 -3.229 -2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.549 -3.530 0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.153 -3.948 0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.293 -1.731 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.058 -0.810 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.855 -1.118 -0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.242 -5.939 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.232 -5.508 -1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.960 -5.084 -1.856 1.00 0.00 H new ATOM 1131 N VAL A 69 -0.860 -1.496 -3.978 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.015 -0.378 -4.950 1.00 0.00 C ATOM 1133 C VAL A 69 -2.497 -0.080 -5.192 1.00 0.00 C ATOM 1134 O VAL A 69 -2.887 1.055 -5.380 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.350 -0.886 -6.227 1.00 0.00 C ATOM 1136 CG1 VAL A 69 1.079 -1.332 -5.909 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -1.141 -2.076 -6.774 1.00 0.00 C ATOM 0 H VAL A 69 -0.475 -2.356 -4.368 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.568 0.550 -4.593 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.330 -0.089 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.558 -1.696 -6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.644 -0.488 -5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.054 -2.131 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.667 -2.440 -7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.159 -2.874 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.162 -1.764 -6.995 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.327 -1.088 -5.188 1.00 0.00 N ATOM 1148 CA GLU A 70 -4.781 -0.855 -5.417 1.00 0.00 C ATOM 1149 C GLU A 70 -5.427 -0.266 -4.159 1.00 0.00 C ATOM 1150 O GLU A 70 -6.360 0.510 -4.234 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.361 -2.238 -5.721 1.00 0.00 C ATOM 1152 CG GLU A 70 -6.889 -2.174 -5.664 1.00 0.00 C ATOM 1153 CD GLU A 70 -7.387 -2.924 -4.426 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -6.616 -3.061 -3.492 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -8.531 -3.347 -4.435 1.00 0.00 O ATOM 0 H GLU A 70 -3.061 -2.061 -5.036 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.964 -0.149 -6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.037 -2.571 -6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.990 -2.966 -5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.219 -1.136 -5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.316 -2.615 -6.565 1.00 0.00 H new ATOM 1162 N ALA A 71 -4.938 -0.630 -3.006 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.524 -0.091 -1.745 1.00 0.00 C ATOM 1164 C ALA A 71 -5.230 1.407 -1.617 1.00 0.00 C ATOM 1165 O ALA A 71 -6.119 2.206 -1.394 1.00 0.00 O ATOM 1166 CB ALA A 71 -4.834 -0.869 -0.624 1.00 0.00 C ATOM 0 H ALA A 71 -4.159 -1.277 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.608 -0.204 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.212 -0.530 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.039 -1.933 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.758 -0.699 -0.672 1.00 0.00 H new ATOM 1172 N LEU A 72 -3.992 1.792 -1.754 1.00 0.00 N ATOM 1173 CA LEU A 72 -3.643 3.238 -1.639 1.00 0.00 C ATOM 1174 C LEU A 72 -4.250 4.024 -2.805 1.00 0.00 C ATOM 1175 O LEU A 72 -4.555 5.194 -2.685 1.00 0.00 O ATOM 1176 CB LEU A 72 -2.116 3.284 -1.694 1.00 0.00 C ATOM 1177 CG LEU A 72 -1.649 3.052 -3.133 1.00 0.00 C ATOM 1178 CD1 LEU A 72 -1.598 4.389 -3.873 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -0.253 2.424 -3.118 1.00 0.00 C ATOM 0 H LEU A 72 -3.206 1.169 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.029 3.684 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.758 4.249 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.695 2.523 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.345 2.383 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.265 4.225 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.591 4.838 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.901 5.058 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.082 2.258 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.442 3.095 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.288 1.472 -2.588 1.00 0.00 H new ATOM 1191 N SER A 73 -4.423 3.392 -3.934 1.00 0.00 N ATOM 1192 CA SER A 73 -5.008 4.105 -5.105 1.00 0.00 C ATOM 1193 C SER A 73 -6.364 4.714 -4.735 1.00 0.00 C ATOM 1194 O SER A 73 -6.878 5.571 -5.427 1.00 0.00 O ATOM 1195 CB SER A 73 -5.180 3.031 -6.178 1.00 0.00 C ATOM 1196 OG SER A 73 -5.155 3.642 -7.462 1.00 0.00 O ATOM 0 H SER A 73 -4.185 2.414 -4.096 1.00 0.00 H new ATOM 0 HA SER A 73 -4.375 4.925 -5.445 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.384 2.291 -6.099 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.122 2.502 -6.032 1.00 0.00 H new ATOM 0 HG SER A 73 -5.264 2.956 -8.153 1.00 0.00 H new ATOM 1202 N LYS A 74 -6.947 4.279 -3.651 1.00 0.00 N ATOM 1203 CA LYS A 74 -8.269 4.838 -3.246 1.00 0.00 C ATOM 1204 C LYS A 74 -8.078 6.006 -2.274 1.00 0.00 C ATOM 1205 O LYS A 74 -8.957 6.826 -2.096 1.00 0.00 O ATOM 1206 CB LYS A 74 -8.991 3.679 -2.555 1.00 0.00 C ATOM 1207 CG LYS A 74 -10.264 3.337 -3.331 1.00 0.00 C ATOM 1208 CD LYS A 74 -11.441 4.126 -2.757 1.00 0.00 C ATOM 1209 CE LYS A 74 -11.472 5.523 -3.382 1.00 0.00 C ATOM 1210 NZ LYS A 74 -12.913 5.899 -3.409 1.00 0.00 N ATOM 0 H LYS A 74 -6.567 3.564 -3.031 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.832 5.224 -4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.338 2.808 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.239 3.951 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.134 3.575 -4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.464 2.267 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.376 3.604 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.348 4.203 -1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.890 6.232 -2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.047 5.516 -4.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.017 6.847 -3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.441 5.210 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.289 5.903 -2.439 1.00 0.00 H new ATOM 1224 N SER A 75 -6.947 6.077 -1.628 1.00 0.00 N ATOM 1225 CA SER A 75 -6.711 7.177 -0.648 1.00 0.00 C ATOM 1226 C SER A 75 -6.911 8.544 -1.307 1.00 0.00 C ATOM 1227 O SER A 75 -6.793 8.697 -2.507 1.00 0.00 O ATOM 1228 CB SER A 75 -5.259 7.006 -0.206 1.00 0.00 C ATOM 1229 OG SER A 75 -4.877 8.117 0.593 1.00 0.00 O ATOM 0 H SER A 75 -6.174 5.420 -1.736 1.00 0.00 H new ATOM 0 HA SER A 75 -7.406 7.131 0.190 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.146 6.081 0.359 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.608 6.929 -1.077 1.00 0.00 H new ATOM 0 HG SER A 75 -3.946 8.009 0.880 1.00 0.00 H new ATOM 1235 N LYS A 76 -7.223 9.538 -0.519 1.00 0.00 N ATOM 1236 CA LYS A 76 -7.444 10.901 -1.080 1.00 0.00 C ATOM 1237 C LYS A 76 -6.639 11.944 -0.296 1.00 0.00 C ATOM 1238 O LYS A 76 -7.011 13.098 -0.223 1.00 0.00 O ATOM 1239 CB LYS A 76 -8.943 11.154 -0.923 1.00 0.00 C ATOM 1240 CG LYS A 76 -9.293 11.251 0.564 1.00 0.00 C ATOM 1241 CD LYS A 76 -10.023 9.980 1.002 1.00 0.00 C ATOM 1242 CE LYS A 76 -10.428 10.104 2.472 1.00 0.00 C ATOM 1243 NZ LYS A 76 -11.853 10.536 2.444 1.00 0.00 N ATOM 0 H LYS A 76 -7.334 9.464 0.492 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.122 10.973 -2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.222 12.076 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.509 10.347 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.386 11.383 1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.921 12.124 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.906 9.824 0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.379 9.112 0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.314 9.154 2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.805 10.831 2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.203 10.643 3.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.930 11.446 1.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.423 9.821 1.948 1.00 0.00 H new ATOM 1257 N ALA A 77 -5.539 11.552 0.286 1.00 0.00 N ATOM 1258 CA ALA A 77 -4.720 12.533 1.055 1.00 0.00 C ATOM 1259 C ALA A 77 -3.677 13.161 0.150 1.00 0.00 C ATOM 1260 O ALA A 77 -2.731 13.785 0.592 1.00 0.00 O ATOM 1261 CB ALA A 77 -4.071 11.740 2.190 1.00 0.00 C ATOM 0 H ALA A 77 -5.173 10.600 0.263 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.323 13.350 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.454 12.406 2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.847 11.298 2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.448 10.949 1.772 1.00 0.00 H new ATOM 1267 N GLU A 78 -3.868 12.995 -1.113 1.00 0.00 N ATOM 1268 CA GLU A 78 -2.930 13.561 -2.123 1.00 0.00 C ATOM 1269 C GLU A 78 -1.533 13.763 -1.529 1.00 0.00 C ATOM 1270 O GLU A 78 -0.903 14.782 -1.735 1.00 0.00 O ATOM 1271 CB GLU A 78 -3.541 14.904 -2.525 1.00 0.00 C ATOM 1272 CG GLU A 78 -3.979 14.848 -3.990 1.00 0.00 C ATOM 1273 CD GLU A 78 -5.506 14.873 -4.068 1.00 0.00 C ATOM 1274 OE1 GLU A 78 -6.134 14.295 -3.195 1.00 0.00 O ATOM 1275 OE2 GLU A 78 -6.023 15.469 -4.998 1.00 0.00 O ATOM 0 H GLU A 78 -4.653 12.478 -1.508 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.806 12.892 -2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.395 15.132 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.814 15.704 -2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.563 15.694 -4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.595 13.943 -4.461 1.00 0.00 H new ATOM 1282 N LEU A 79 -1.041 12.800 -0.803 1.00 0.00 N ATOM 1283 CA LEU A 79 0.318 12.943 -0.210 1.00 0.00 C ATOM 1284 C LEU A 79 1.377 12.568 -1.248 1.00 0.00 C ATOM 1285 O LEU A 79 1.983 13.420 -1.868 1.00 0.00 O ATOM 1286 CB LEU A 79 0.346 11.965 0.966 1.00 0.00 C ATOM 1287 CG LEU A 79 1.736 11.974 1.604 1.00 0.00 C ATOM 1288 CD1 LEU A 79 1.602 11.840 3.122 1.00 0.00 C ATOM 1289 CD2 LEU A 79 2.553 10.800 1.060 1.00 0.00 C ATOM 0 H LEU A 79 -1.518 11.923 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 79 0.528 13.963 0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.406 12.245 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.098 10.960 0.623 1.00 0.00 H new ATOM 0 HG LEU A 79 2.239 12.911 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.593 11.846 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.019 12.675 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.099 10.903 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.544 10.805 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.049 9.864 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.649 10.894 -0.022 1.00 0.00 H new ATOM 1301 N MET A 80 1.605 11.299 -1.442 1.00 0.00 N ATOM 1302 CA MET A 80 2.627 10.868 -2.439 1.00 0.00 C ATOM 1303 C MET A 80 1.962 10.569 -3.785 1.00 0.00 C ATOM 1304 O MET A 80 0.827 10.931 -4.022 1.00 0.00 O ATOM 1305 CB MET A 80 3.237 9.595 -1.851 1.00 0.00 C ATOM 1306 CG MET A 80 2.120 8.602 -1.520 1.00 0.00 C ATOM 1307 SD MET A 80 2.554 6.968 -2.165 1.00 0.00 S ATOM 1308 CE MET A 80 4.155 6.817 -1.335 1.00 0.00 C ATOM 0 H MET A 80 1.128 10.541 -0.954 1.00 0.00 H new ATOM 0 HA MET A 80 3.378 11.637 -2.620 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.935 9.151 -2.561 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.806 9.833 -0.952 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.972 8.551 -0.441 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.179 8.938 -1.955 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.316 5.780 -1.040 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.948 7.128 -2.015 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.167 7.452 -0.449 1.00 0.00 H new ATOM 1318 N GLU A 81 2.661 9.908 -4.666 1.00 0.00 N ATOM 1319 CA GLU A 81 2.074 9.583 -5.996 1.00 0.00 C ATOM 1320 C GLU A 81 2.501 8.176 -6.429 1.00 0.00 C ATOM 1321 O GLU A 81 3.471 7.634 -5.938 1.00 0.00 O ATOM 1322 CB GLU A 81 2.646 10.632 -6.950 1.00 0.00 C ATOM 1323 CG GLU A 81 2.040 12.000 -6.630 1.00 0.00 C ATOM 1324 CD GLU A 81 0.979 12.347 -7.675 1.00 0.00 C ATOM 1325 OE1 GLU A 81 0.204 11.469 -8.018 1.00 0.00 O ATOM 1326 OE2 GLU A 81 0.960 13.484 -8.117 1.00 0.00 O ATOM 0 H GLU A 81 3.615 9.578 -4.522 1.00 0.00 H new ATOM 0 HA GLU A 81 0.984 9.597 -5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.731 10.672 -6.855 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.427 10.358 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.595 11.988 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.820 12.762 -6.622 1.00 0.00 H new ATOM 1333 N ILE A 82 1.784 7.583 -7.344 1.00 0.00 N ATOM 1334 CA ILE A 82 2.153 6.213 -7.805 1.00 0.00 C ATOM 1335 C ILE A 82 2.379 6.207 -9.319 1.00 0.00 C ATOM 1336 O ILE A 82 1.696 6.885 -10.061 1.00 0.00 O ATOM 1337 CB ILE A 82 0.956 5.336 -7.438 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.557 5.602 -5.985 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.337 3.862 -7.599 1.00 0.00 C ATOM 1340 CD1 ILE A 82 1.784 5.461 -5.084 1.00 0.00 C ATOM 0 H ILE A 82 0.961 7.986 -7.792 1.00 0.00 H new ATOM 0 HA ILE A 82 3.075 5.857 -7.345 1.00 0.00 H new ATOM 0 HB ILE A 82 0.118 5.570 -8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.136 6.603 -5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.217 4.900 -5.675 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.484 3.235 -7.338 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.624 3.671 -8.633 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.174 3.629 -6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.499 5.651 -4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.185 4.451 -5.171 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.544 6.181 -5.389 1.00 0.00 H new ATOM 1352 N SER A 83 3.333 5.446 -9.782 1.00 0.00 N ATOM 1353 CA SER A 83 3.601 5.396 -11.248 1.00 0.00 C ATOM 1354 C SER A 83 2.384 4.838 -11.989 1.00 0.00 C ATOM 1355 O SER A 83 1.363 4.548 -11.397 1.00 0.00 O ATOM 1356 CB SER A 83 4.799 4.461 -11.400 1.00 0.00 C ATOM 1357 OG SER A 83 5.129 4.341 -12.777 1.00 0.00 O ATOM 0 H SER A 83 3.938 4.857 -9.209 1.00 0.00 H new ATOM 0 HA SER A 83 3.800 6.383 -11.666 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.651 4.850 -10.842 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.565 3.481 -10.983 1.00 0.00 H new ATOM 0 HG SER A 83 6.088 4.500 -12.899 1.00 0.00 H new ATOM 1363 N GLU A 84 2.482 4.685 -13.282 1.00 0.00 N ATOM 1364 CA GLU A 84 1.330 4.147 -14.060 1.00 0.00 C ATOM 1365 C GLU A 84 1.314 2.617 -14.003 1.00 0.00 C ATOM 1366 O GLU A 84 0.341 1.984 -14.364 1.00 0.00 O ATOM 1367 CB GLU A 84 1.561 4.628 -15.494 1.00 0.00 C ATOM 1368 CG GLU A 84 0.665 5.834 -15.779 1.00 0.00 C ATOM 1369 CD GLU A 84 -0.786 5.370 -15.928 1.00 0.00 C ATOM 1370 OE1 GLU A 84 -1.437 5.193 -14.912 1.00 0.00 O ATOM 1371 OE2 GLU A 84 -1.219 5.199 -17.055 1.00 0.00 O ATOM 0 H GLU A 84 3.310 4.909 -13.833 1.00 0.00 H new ATOM 0 HA GLU A 84 0.373 4.486 -13.664 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.608 4.898 -15.634 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.342 3.825 -16.198 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.745 6.559 -14.969 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.992 6.336 -16.689 1.00 0.00 H new ATOM 1378 N ASP A 85 2.384 2.014 -13.558 1.00 0.00 N ATOM 1379 CA ASP A 85 2.420 0.524 -13.489 1.00 0.00 C ATOM 1380 C ASP A 85 1.782 0.031 -12.185 1.00 0.00 C ATOM 1381 O ASP A 85 1.500 -1.140 -12.027 1.00 0.00 O ATOM 1382 CB ASP A 85 3.905 0.163 -13.528 1.00 0.00 C ATOM 1383 CG ASP A 85 4.358 0.016 -14.982 1.00 0.00 C ATOM 1384 OD1 ASP A 85 4.731 1.017 -15.570 1.00 0.00 O ATOM 1385 OD2 ASP A 85 4.324 -1.096 -15.482 1.00 0.00 O ATOM 0 H ASP A 85 3.231 2.486 -13.241 1.00 0.00 H new ATOM 0 HA ASP A 85 1.864 0.062 -14.305 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.491 0.936 -13.030 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.078 -0.767 -12.986 1.00 0.00 H new ATOM 1390 N LYS A 86 1.552 0.913 -11.251 1.00 0.00 N ATOM 1391 CA LYS A 86 0.933 0.487 -9.961 1.00 0.00 C ATOM 1392 C LYS A 86 1.859 -0.483 -9.221 1.00 0.00 C ATOM 1393 O LYS A 86 1.414 -1.384 -8.540 1.00 0.00 O ATOM 1394 CB LYS A 86 -0.369 -0.213 -10.357 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.562 0.633 -9.905 1.00 0.00 C ATOM 1396 CD LYS A 86 -2.624 -0.273 -9.279 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.801 -0.425 -10.245 1.00 0.00 C ATOM 1398 NZ LYS A 86 -4.397 0.937 -10.340 1.00 0.00 N ATOM 0 H LYS A 86 1.765 1.908 -11.324 1.00 0.00 H new ATOM 0 HA LYS A 86 0.757 1.329 -9.292 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.402 -0.359 -11.437 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.417 -1.201 -9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.237 1.382 -9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.983 1.170 -10.755 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.196 -1.250 -9.054 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.967 0.150 -8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.468 -0.780 -11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.526 -1.149 -9.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.432 0.859 -10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.145 1.486 -9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.031 1.418 -11.186 1.00 0.00 H new ATOM 1412 N THR A 87 3.145 -0.304 -9.352 1.00 0.00 N ATOM 1413 CA THR A 87 4.099 -1.217 -8.657 1.00 0.00 C ATOM 1414 C THR A 87 5.251 -0.415 -8.043 1.00 0.00 C ATOM 1415 O THR A 87 6.352 -0.908 -7.892 1.00 0.00 O ATOM 1416 CB THR A 87 4.620 -2.151 -9.750 1.00 0.00 C ATOM 1417 OG1 THR A 87 5.122 -1.379 -10.831 1.00 0.00 O ATOM 1418 CG2 THR A 87 3.482 -3.045 -10.244 1.00 0.00 C ATOM 0 H THR A 87 3.577 0.433 -9.909 1.00 0.00 H new ATOM 0 HA THR A 87 3.625 -1.765 -7.842 1.00 0.00 H new ATOM 0 HB THR A 87 5.419 -2.773 -9.346 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.458 -1.976 -11.531 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.854 -3.710 -11.023 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.098 -3.637 -9.414 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.682 -2.425 -10.648 1.00 0.00 H new ATOM 1426 N LYS A 88 5.010 0.818 -7.695 1.00 0.00 N ATOM 1427 CA LYS A 88 6.094 1.651 -7.098 1.00 0.00 C ATOM 1428 C LYS A 88 5.500 2.854 -6.359 1.00 0.00 C ATOM 1429 O LYS A 88 4.402 3.291 -6.644 1.00 0.00 O ATOM 1430 CB LYS A 88 6.947 2.105 -8.282 1.00 0.00 C ATOM 1431 CG LYS A 88 6.043 2.611 -9.407 1.00 0.00 C ATOM 1432 CD LYS A 88 6.360 1.851 -10.697 1.00 0.00 C ATOM 1433 CE LYS A 88 7.682 2.359 -11.278 1.00 0.00 C ATOM 1434 NZ LYS A 88 8.462 1.129 -11.590 1.00 0.00 N ATOM 0 H LYS A 88 4.110 1.286 -7.798 1.00 0.00 H new ATOM 0 HA LYS A 88 6.682 1.097 -6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.630 2.895 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.559 1.277 -8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.996 2.471 -9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.193 3.680 -9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.426 0.782 -10.495 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.556 1.989 -11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.516 2.959 -12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.210 2.991 -10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.383 1.395 -11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.611 0.582 -10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.938 0.550 -12.277 1.00 0.00 H new ATOM 1448 N ILE A 89 6.223 3.400 -5.419 1.00 0.00 N ATOM 1449 CA ILE A 89 5.711 4.582 -4.667 1.00 0.00 C ATOM 1450 C ILE A 89 6.811 5.644 -4.564 1.00 0.00 C ATOM 1451 O ILE A 89 7.984 5.332 -4.535 1.00 0.00 O ATOM 1452 CB ILE A 89 5.342 4.046 -3.284 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.617 3.702 -2.507 1.00 0.00 C ATOM 1454 CG2 ILE A 89 4.488 2.787 -3.439 1.00 0.00 C ATOM 1455 CD1 ILE A 89 6.327 3.742 -1.005 1.00 0.00 C ATOM 0 H ILE A 89 7.149 3.077 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 89 4.857 5.051 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 89 4.781 4.806 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.974 2.713 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.408 4.410 -2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.224 2.403 -2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.579 3.029 -3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.052 2.030 -3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 89 7.234 3.497 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.990 4.740 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.549 3.017 -0.765 1.00 0.00 H new ATOM 1467 N ARG A 90 6.444 6.894 -4.514 1.00 0.00 N ATOM 1468 CA ARG A 90 7.476 7.967 -4.422 1.00 0.00 C ATOM 1469 C ARG A 90 6.919 9.182 -3.678 1.00 0.00 C ATOM 1470 O ARG A 90 5.723 9.382 -3.602 1.00 0.00 O ATOM 1471 CB ARG A 90 7.806 8.330 -5.870 1.00 0.00 C ATOM 1472 CG ARG A 90 6.662 9.150 -6.472 1.00 0.00 C ATOM 1473 CD ARG A 90 7.165 9.894 -7.712 1.00 0.00 C ATOM 1474 NE ARG A 90 6.261 11.069 -7.847 1.00 0.00 N ATOM 1475 CZ ARG A 90 6.446 11.929 -8.812 1.00 0.00 C ATOM 1476 NH1 ARG A 90 7.425 11.763 -9.658 1.00 0.00 N ATOM 1477 NH2 ARG A 90 5.651 12.957 -8.928 1.00 0.00 N ATOM 0 H ARG A 90 5.478 7.220 -4.533 1.00 0.00 H new ATOM 0 HA ARG A 90 8.359 7.639 -3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.734 8.900 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.963 7.424 -6.455 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.832 8.495 -6.739 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.284 9.860 -5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.203 10.206 -7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.123 9.260 -8.597 1.00 0.00 H new ATOM 0 HE ARG A 90 5.496 11.202 -7.185 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.048 10.960 -9.566 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.568 12.436 -10.411 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.887 13.088 -8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.794 13.630 -9.681 1.00 0.00 H new ATOM 1491 N ARG A 91 7.777 10.008 -3.143 1.00 0.00 N ATOM 1492 CA ARG A 91 7.294 11.220 -2.425 1.00 0.00 C ATOM 1493 C ARG A 91 7.142 12.368 -3.426 1.00 0.00 C ATOM 1494 O ARG A 91 8.009 12.600 -4.243 1.00 0.00 O ATOM 1495 CB ARG A 91 8.388 11.539 -1.402 1.00 0.00 C ATOM 1496 CG ARG A 91 8.393 13.040 -1.104 1.00 0.00 C ATOM 1497 CD ARG A 91 8.642 13.265 0.387 1.00 0.00 C ATOM 1498 NE ARG A 91 9.492 14.486 0.456 1.00 0.00 N ATOM 1499 CZ ARG A 91 10.722 14.451 0.018 1.00 0.00 C ATOM 1500 NH1 ARG A 91 11.208 13.347 -0.482 1.00 0.00 N ATOM 1501 NH2 ARG A 91 11.465 15.522 0.080 1.00 0.00 N ATOM 0 H ARG A 91 8.790 9.895 -3.173 1.00 0.00 H new ATOM 0 HA ARG A 91 6.328 11.071 -1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.216 10.977 -0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.360 11.232 -1.787 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.166 13.535 -1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.440 13.482 -1.395 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.705 13.405 0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.144 12.409 0.837 1.00 0.00 H new ATOM 0 HE ARG A 91 9.114 15.350 0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.627 12.510 -0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.169 13.321 -0.824 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.085 16.384 0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.426 15.497 -0.262 1.00 0.00 H new ATOM 1515 N SER A 92 6.053 13.083 -3.381 1.00 0.00 N ATOM 1516 CA SER A 92 5.868 14.200 -4.343 1.00 0.00 C ATOM 1517 C SER A 92 6.910 15.288 -4.090 1.00 0.00 C ATOM 1518 O SER A 92 6.839 16.002 -3.110 1.00 0.00 O ATOM 1519 CB SER A 92 4.461 14.728 -4.070 1.00 0.00 C ATOM 1520 OG SER A 92 4.293 15.980 -4.723 1.00 0.00 O ATOM 0 H SER A 92 5.287 12.942 -2.722 1.00 0.00 H new ATOM 0 HA SER A 92 5.988 13.881 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.717 14.016 -4.428 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.304 14.841 -2.997 1.00 0.00 H new ATOM 0 HG SER A 92 3.390 16.320 -4.551 1.00 0.00 H new ATOM 1526 N PRO A 93 7.846 15.381 -4.994 1.00 0.00 N ATOM 1527 CA PRO A 93 8.915 16.400 -4.876 1.00 0.00 C ATOM 1528 C PRO A 93 8.292 17.788 -4.970 1.00 0.00 C ATOM 1529 O PRO A 93 8.857 18.773 -4.538 1.00 0.00 O ATOM 1530 CB PRO A 93 9.816 16.128 -6.081 1.00 0.00 C ATOM 1531 CG PRO A 93 8.958 15.361 -7.035 1.00 0.00 C ATOM 1532 CD PRO A 93 7.993 14.567 -6.201 1.00 0.00 C ATOM 0 HA PRO A 93 9.463 16.355 -3.935 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.171 17.057 -6.527 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.698 15.555 -5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.426 16.035 -7.706 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.564 14.703 -7.658 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.040 14.428 -6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.380 13.574 -5.972 1.00 0.00 H new ATOM 1540 N SER A 94 7.119 17.864 -5.533 1.00 0.00 N ATOM 1541 CA SER A 94 6.436 19.176 -5.662 1.00 0.00 C ATOM 1542 C SER A 94 5.723 19.524 -4.356 1.00 0.00 C ATOM 1543 O SER A 94 5.153 20.588 -4.219 1.00 0.00 O ATOM 1544 CB SER A 94 5.425 18.987 -6.791 1.00 0.00 C ATOM 1545 OG SER A 94 6.082 19.145 -8.042 1.00 0.00 O ATOM 0 H SER A 94 6.603 17.069 -5.910 1.00 0.00 H new ATOM 0 HA SER A 94 7.132 19.988 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.972 17.997 -6.727 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.618 19.713 -6.697 1.00 0.00 H new ATOM 0 HG SER A 94 5.436 19.023 -8.769 1.00 0.00 H new ATOM 1551 N LYS A 95 5.765 18.652 -3.380 1.00 0.00 N ATOM 1552 CA LYS A 95 5.108 18.962 -2.078 1.00 0.00 C ATOM 1553 C LYS A 95 6.164 18.963 -0.967 1.00 0.00 C ATOM 1554 O LYS A 95 6.930 18.027 -0.846 1.00 0.00 O ATOM 1555 CB LYS A 95 4.096 17.836 -1.861 1.00 0.00 C ATOM 1556 CG LYS A 95 2.765 18.213 -2.514 1.00 0.00 C ATOM 1557 CD LYS A 95 2.162 19.415 -1.786 1.00 0.00 C ATOM 1558 CE LYS A 95 0.730 19.086 -1.356 1.00 0.00 C ATOM 1559 NZ LYS A 95 0.793 18.965 0.127 1.00 0.00 N ATOM 0 H LYS A 95 6.225 17.743 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 95 4.624 19.938 -2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.473 16.907 -2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.953 17.661 -0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.919 18.451 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.077 17.369 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.766 19.666 -0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.166 20.288 -2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.036 19.870 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.383 18.159 -1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.152 18.740 0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.456 18.206 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.120 19.864 0.535 1.00 0.00 H new ATOM 1573 N PRO A 96 6.179 20.015 -0.197 1.00 0.00 N ATOM 1574 CA PRO A 96 7.165 20.128 0.903 1.00 0.00 C ATOM 1575 C PRO A 96 6.845 19.156 2.039 1.00 0.00 C ATOM 1576 O PRO A 96 5.701 18.866 2.329 1.00 0.00 O ATOM 1577 CB PRO A 96 7.027 21.560 1.386 1.00 0.00 C ATOM 1578 CG PRO A 96 5.665 22.000 0.942 1.00 0.00 C ATOM 1579 CD PRO A 96 5.297 21.182 -0.273 1.00 0.00 C ATOM 0 HA PRO A 96 8.174 19.886 0.570 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.125 21.620 2.470 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.804 22.195 0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 96 4.936 21.852 1.739 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.665 23.063 0.703 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.247 20.890 -0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.456 21.743 -1.194 1.00 0.00 H new ATOM 1587 N LEU A 97 7.859 18.684 2.703 1.00 0.00 N ATOM 1588 CA LEU A 97 7.655 17.765 3.851 1.00 0.00 C ATOM 1589 C LEU A 97 8.330 18.371 5.069 1.00 0.00 C ATOM 1590 O LEU A 97 9.523 18.598 5.080 1.00 0.00 O ATOM 1591 CB LEU A 97 8.276 16.420 3.460 1.00 0.00 C ATOM 1592 CG LEU A 97 9.688 16.282 4.039 1.00 0.00 C ATOM 1593 CD1 LEU A 97 9.599 15.952 5.531 1.00 0.00 C ATOM 1594 CD2 LEU A 97 10.425 15.152 3.315 1.00 0.00 C ATOM 0 H LEU A 97 8.834 18.900 2.495 1.00 0.00 H new ATOM 0 HA LEU A 97 6.603 17.616 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.649 15.606 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.314 16.334 2.374 1.00 0.00 H new ATOM 0 HG LEU A 97 10.229 17.219 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.604 15.854 5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.071 16.752 6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.059 15.015 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.430 15.052 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.882 14.217 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.488 15.382 2.251 1.00 0.00 H new ATOM 1606 N PRO A 98 7.539 18.649 6.040 1.00 0.00 N ATOM 1607 CA PRO A 98 8.039 19.274 7.270 1.00 0.00 C ATOM 1608 C PRO A 98 8.456 18.226 8.300 1.00 0.00 C ATOM 1609 O PRO A 98 7.999 17.100 8.286 1.00 0.00 O ATOM 1610 CB PRO A 98 6.826 20.036 7.721 1.00 0.00 C ATOM 1611 CG PRO A 98 5.687 19.130 7.364 1.00 0.00 C ATOM 1612 CD PRO A 98 6.095 18.418 6.101 1.00 0.00 C ATOM 0 HA PRO A 98 8.929 19.888 7.131 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.856 20.240 8.791 1.00 0.00 H new ATOM 0 HB3 PRO A 98 6.746 20.998 7.215 1.00 0.00 H new ATOM 0 HG2 PRO A 98 5.490 18.418 8.166 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.770 19.699 7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 98 5.859 17.355 6.143 1.00 0.00 H new ATOM 0 HD3 PRO A 98 5.585 18.823 5.227 1.00 0.00 H new ATOM 1620 N GLU A 99 9.327 18.597 9.190 1.00 0.00 N ATOM 1621 CA GLU A 99 9.799 17.641 10.232 1.00 0.00 C ATOM 1622 C GLU A 99 9.391 18.129 11.626 1.00 0.00 C ATOM 1623 O GLU A 99 9.295 19.314 11.875 1.00 0.00 O ATOM 1624 CB GLU A 99 11.322 17.625 10.096 1.00 0.00 C ATOM 1625 CG GLU A 99 11.936 16.898 11.293 1.00 0.00 C ATOM 1626 CD GLU A 99 12.633 17.910 12.203 1.00 0.00 C ATOM 1627 OE1 GLU A 99 12.395 19.094 12.030 1.00 0.00 O ATOM 1628 OE2 GLU A 99 13.393 17.484 13.057 1.00 0.00 O ATOM 0 H GLU A 99 9.738 19.529 9.244 1.00 0.00 H new ATOM 0 HA GLU A 99 9.367 16.648 10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.609 17.128 9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.703 18.645 10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.161 16.369 11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.650 16.149 10.950 1.00 0.00 H new ATOM 1635 N VAL A 100 9.154 17.224 12.536 1.00 0.00 N ATOM 1636 CA VAL A 100 8.759 17.640 13.912 1.00 0.00 C ATOM 1637 C VAL A 100 9.994 18.090 14.699 1.00 0.00 C ATOM 1638 O VAL A 100 11.076 17.566 14.527 1.00 0.00 O ATOM 1639 CB VAL A 100 8.146 16.389 14.544 1.00 0.00 C ATOM 1640 CG1 VAL A 100 7.040 15.848 13.636 1.00 0.00 C ATOM 1641 CG2 VAL A 100 9.228 15.321 14.717 1.00 0.00 C ATOM 0 H VAL A 100 9.217 16.217 12.387 1.00 0.00 H new ATOM 0 HA VAL A 100 8.061 18.477 13.908 1.00 0.00 H new ATOM 0 HB VAL A 100 7.727 16.644 15.517 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.603 14.957 14.086 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.268 16.607 13.511 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.460 15.594 12.663 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.791 14.430 15.167 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.648 15.067 13.744 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.017 15.704 15.364 1.00 0.00 H new ATOM 1651 N THR A 101 9.841 19.061 15.557 1.00 0.00 N ATOM 1652 CA THR A 101 11.010 19.547 16.348 1.00 0.00 C ATOM 1653 C THR A 101 11.120 18.776 17.667 1.00 0.00 C ATOM 1654 O THR A 101 10.137 18.532 18.338 1.00 0.00 O ATOM 1655 CB THR A 101 10.718 21.025 16.613 1.00 0.00 C ATOM 1656 OG1 THR A 101 9.584 21.137 17.461 1.00 0.00 O ATOM 1657 CG2 THR A 101 10.440 21.737 15.289 1.00 0.00 C ATOM 0 H THR A 101 8.960 19.539 15.745 1.00 0.00 H new ATOM 0 HA THR A 101 11.953 19.403 15.821 1.00 0.00 H new ATOM 0 HB THR A 101 11.580 21.485 17.096 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.405 20.271 17.884 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.232 22.790 15.479 1.00 0.00 H new ATOM 0 HG22 THR A 101 11.311 21.650 14.639 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.578 21.279 14.803 1.00 0.00 H new ATOM 1665 N ASP A 102 12.309 18.392 18.042 1.00 0.00 N ATOM 1666 CA ASP A 102 12.484 17.638 19.317 1.00 0.00 C ATOM 1667 C ASP A 102 12.882 18.594 20.446 1.00 0.00 C ATOM 1668 O ASP A 102 13.512 19.608 20.221 1.00 0.00 O ATOM 1669 CB ASP A 102 13.609 16.642 19.037 1.00 0.00 C ATOM 1670 CG ASP A 102 13.343 15.932 17.708 1.00 0.00 C ATOM 1671 OD1 ASP A 102 13.648 16.512 16.679 1.00 0.00 O ATOM 1672 OD2 ASP A 102 12.840 14.821 17.742 1.00 0.00 O ATOM 0 H ASP A 102 13.168 18.568 17.521 1.00 0.00 H new ATOM 0 HA ASP A 102 11.567 17.139 19.631 1.00 0.00 H new ATOM 0 HB2 ASP A 102 14.567 17.160 18.999 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.673 15.913 19.845 1.00 0.00 H new ATOM 1677 N GLU A 103 12.520 18.278 21.659 1.00 0.00 N ATOM 1678 CA GLU A 103 12.880 19.169 22.801 1.00 0.00 C ATOM 1679 C GLU A 103 12.506 18.504 24.129 1.00 0.00 C ATOM 1680 O GLU A 103 12.270 19.226 25.083 1.00 0.00 O ATOM 1681 CB GLU A 103 12.056 20.439 22.586 1.00 0.00 C ATOM 1682 CG GLU A 103 12.687 21.595 23.364 1.00 0.00 C ATOM 1683 CD GLU A 103 12.175 22.925 22.807 1.00 0.00 C ATOM 1684 OE1 GLU A 103 11.594 22.912 21.735 1.00 0.00 O ATOM 1685 OE2 GLU A 103 12.372 23.935 23.464 1.00 0.00 O ATOM 1686 OXT GLU A 103 12.463 17.286 24.168 1.00 0.00 O ATOM 0 H GLU A 103 11.991 17.443 21.910 1.00 0.00 H new ATOM 0 HA GLU A 103 13.949 19.378 22.841 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.013 20.682 21.524 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.030 20.280 22.918 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.440 21.513 24.422 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.773 21.550 23.286 1.00 0.00 H new TER 1693 GLU A 103