USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 GLN : amide:sc= -6.7! C(o=-5.6!,f=-7.3!) USER MOD Set 1.2: A 44 SER OG : rot 124:sc= 1.11 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 23:sc= 0.724 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.038) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot -114:sc= 0.0223 USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00969) USER MOD Single : A 26 MET CE :methyl -145:sc= -4.69! (180deg=-4.94!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -7.11! C(o=-12!,f=-7.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 174:sc= -2.91! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.29) USER MOD Single : A 42 MET CE :methyl 172:sc= -1.14 (180deg=-1.27) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -146:sc= -0.89 USER MOD Single : A 48 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.2!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.255 X(o=-0.25,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN :FLIP amide:sc= -2.68! C(o=-4.1!,f=-2.7!) USER MOD Single : A 60 ASN : amide:sc= -0.505 K(o=-0.51,f=-1.3) USER MOD Single : A 69 MET CE :methyl 180:sc= -1.98! (180deg=-1.98!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -2.49 F(o=-3.9!,f=-2.5) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 17:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.887 -25.700 -15.573 1.00 0.00 N ATOM 2 CA GLY A 1 4.532 -26.149 -15.312 1.00 0.00 C ATOM 3 C GLY A 1 3.592 -25.002 -14.994 1.00 0.00 C ATOM 4 O GLY A 1 3.900 -24.152 -14.158 1.00 0.00 O ATOM 0 H1 GLY A 1 6.490 -26.521 -15.785 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.887 -25.051 -16.386 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.256 -25.206 -14.736 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.158 -26.691 -16.181 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.539 -26.851 -14.478 1.00 0.00 H new ATOM 8 N SER A 2 2.444 -24.977 -15.663 1.00 0.00 N ATOM 9 CA SER A 2 1.459 -23.923 -15.452 1.00 0.00 C ATOM 10 C SER A 2 0.138 -24.505 -14.958 1.00 0.00 C ATOM 11 O SER A 2 -0.143 -25.688 -15.152 1.00 0.00 O ATOM 12 CB SER A 2 1.232 -23.141 -16.747 1.00 0.00 C ATOM 13 OG SER A 2 2.176 -22.092 -16.881 1.00 0.00 O ATOM 0 H SER A 2 2.173 -25.675 -16.356 1.00 0.00 H new ATOM 0 HA SER A 2 1.845 -23.246 -14.690 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.308 -23.815 -17.601 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.223 -22.730 -16.755 1.00 0.00 H new ATOM 0 HG SER A 2 2.011 -21.608 -17.717 1.00 0.00 H new ATOM 19 N SER A 3 -0.670 -23.665 -14.319 1.00 0.00 N ATOM 20 CA SER A 3 -1.960 -24.096 -13.794 1.00 0.00 C ATOM 21 C SER A 3 -2.901 -22.907 -13.624 1.00 0.00 C ATOM 22 O SER A 3 -2.491 -21.754 -13.746 1.00 0.00 O ATOM 23 CB SER A 3 -1.776 -24.810 -12.454 1.00 0.00 C ATOM 24 OG SER A 3 -1.346 -26.147 -12.643 1.00 0.00 O ATOM 0 H SER A 3 -0.454 -22.682 -14.152 1.00 0.00 H new ATOM 0 HA SER A 3 -2.403 -24.789 -14.509 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.046 -24.272 -11.849 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.716 -24.802 -11.902 1.00 0.00 H new ATOM 0 HG SER A 3 -0.921 -26.233 -13.522 1.00 0.00 H new ATOM 30 N GLY A 4 -4.168 -23.199 -13.342 1.00 0.00 N ATOM 31 CA GLY A 4 -5.149 -22.145 -13.160 1.00 0.00 C ATOM 32 C GLY A 4 -4.915 -20.969 -14.087 1.00 0.00 C ATOM 33 O GLY A 4 -4.631 -19.860 -13.635 1.00 0.00 O ATOM 0 H GLY A 4 -4.532 -24.146 -13.237 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.147 -22.548 -13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.120 -21.800 -12.126 1.00 0.00 H new ATOM 37 N SER A 5 -5.033 -21.211 -15.389 1.00 0.00 N ATOM 38 CA SER A 5 -4.827 -20.165 -16.383 1.00 0.00 C ATOM 39 C SER A 5 -5.742 -18.973 -16.115 1.00 0.00 C ATOM 40 O SER A 5 -5.320 -17.820 -16.206 1.00 0.00 O ATOM 41 CB SER A 5 -5.082 -20.711 -17.789 1.00 0.00 C ATOM 42 OG SER A 5 -3.981 -21.478 -18.245 1.00 0.00 O ATOM 0 H SER A 5 -5.270 -22.123 -15.780 1.00 0.00 H new ATOM 0 HA SER A 5 -3.792 -19.830 -16.313 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.982 -21.326 -17.786 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.263 -19.885 -18.476 1.00 0.00 H new ATOM 0 HG SER A 5 -4.169 -21.817 -19.145 1.00 0.00 H new ATOM 48 N SER A 6 -6.996 -19.261 -15.783 1.00 0.00 N ATOM 49 CA SER A 6 -7.972 -18.214 -15.504 1.00 0.00 C ATOM 50 C SER A 6 -9.223 -18.797 -14.854 1.00 0.00 C ATOM 51 O SER A 6 -9.405 -20.013 -14.811 1.00 0.00 O ATOM 52 CB SER A 6 -8.349 -17.482 -16.794 1.00 0.00 C ATOM 53 OG SER A 6 -8.738 -16.146 -16.527 1.00 0.00 O ATOM 0 H SER A 6 -7.360 -20.210 -15.701 1.00 0.00 H new ATOM 0 HA SER A 6 -7.519 -17.505 -14.811 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.502 -17.487 -17.480 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.164 -18.009 -17.290 1.00 0.00 H new ATOM 0 HG SER A 6 -8.972 -15.699 -17.367 1.00 0.00 H new ATOM 59 N GLY A 7 -10.084 -17.919 -14.348 1.00 0.00 N ATOM 60 CA GLY A 7 -11.307 -18.364 -13.706 1.00 0.00 C ATOM 61 C GLY A 7 -11.362 -17.985 -12.239 1.00 0.00 C ATOM 62 O GLY A 7 -11.090 -18.810 -11.366 1.00 0.00 O ATOM 0 H GLY A 7 -9.956 -16.907 -14.371 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.163 -17.931 -14.223 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.391 -19.446 -13.802 1.00 0.00 H new ATOM 66 N LYS A 8 -11.715 -16.734 -11.966 1.00 0.00 N ATOM 67 CA LYS A 8 -11.805 -16.246 -10.594 1.00 0.00 C ATOM 68 C LYS A 8 -12.860 -15.151 -10.475 1.00 0.00 C ATOM 69 O LYS A 8 -12.699 -14.057 -11.016 1.00 0.00 O ATOM 70 CB LYS A 8 -10.448 -15.713 -10.130 1.00 0.00 C ATOM 71 CG LYS A 8 -9.324 -16.728 -10.248 1.00 0.00 C ATOM 72 CD LYS A 8 -9.453 -17.826 -9.205 1.00 0.00 C ATOM 73 CE LYS A 8 -8.377 -18.888 -9.378 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.228 -19.730 -8.159 1.00 0.00 N ATOM 0 H LYS A 8 -11.944 -16.039 -12.676 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.098 -17.080 -9.957 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.193 -14.831 -10.718 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.529 -15.392 -9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.334 -17.169 -11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.364 -16.225 -10.131 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.381 -17.392 -8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.437 -18.288 -9.281 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.626 -19.522 -10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.426 -18.407 -9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.486 -20.441 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.966 -19.129 -7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.129 -20.209 -7.956 1.00 0.00 H new ATOM 88 N LYS A 9 -13.940 -15.451 -9.762 1.00 0.00 N ATOM 89 CA LYS A 9 -15.021 -14.492 -9.568 1.00 0.00 C ATOM 90 C LYS A 9 -15.230 -14.200 -8.085 1.00 0.00 C ATOM 91 O LYS A 9 -16.283 -14.506 -7.525 1.00 0.00 O ATOM 92 CB LYS A 9 -16.319 -15.024 -10.181 1.00 0.00 C ATOM 93 CG LYS A 9 -16.548 -16.505 -9.929 1.00 0.00 C ATOM 94 CD LYS A 9 -17.800 -17.002 -10.633 1.00 0.00 C ATOM 95 CE LYS A 9 -19.061 -16.491 -9.954 1.00 0.00 C ATOM 96 NZ LYS A 9 -20.293 -16.949 -10.655 1.00 0.00 N ATOM 0 H LYS A 9 -14.090 -16.352 -9.308 1.00 0.00 H new ATOM 0 HA LYS A 9 -14.743 -13.564 -10.068 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -17.160 -14.461 -9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -16.303 -14.845 -11.256 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.684 -17.072 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.637 -16.684 -8.857 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.788 -16.676 -11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.806 -18.092 -10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -19.082 -16.836 -8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.043 -15.402 -9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -21.131 -16.580 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.286 -16.599 -11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -20.324 -17.989 -10.659 1.00 0.00 H new ATOM 110 N ARG A 10 -14.222 -13.605 -7.457 1.00 0.00 N ATOM 111 CA ARG A 10 -14.296 -13.271 -6.040 1.00 0.00 C ATOM 112 C ARG A 10 -14.277 -11.759 -5.836 1.00 0.00 C ATOM 113 O ARG A 10 -14.108 -10.995 -6.787 1.00 0.00 O ATOM 114 CB ARG A 10 -13.132 -13.913 -5.281 1.00 0.00 C ATOM 115 CG ARG A 10 -13.423 -15.325 -4.802 1.00 0.00 C ATOM 116 CD ARG A 10 -13.132 -16.352 -5.885 1.00 0.00 C ATOM 117 NE ARG A 10 -13.694 -17.661 -5.563 1.00 0.00 N ATOM 118 CZ ARG A 10 -13.225 -18.803 -6.054 1.00 0.00 C ATOM 119 NH1 ARG A 10 -12.191 -18.797 -6.884 1.00 0.00 N ATOM 120 NH2 ARG A 10 -13.790 -19.955 -5.714 1.00 0.00 N ATOM 0 H ARG A 10 -13.344 -13.344 -7.907 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.236 -13.662 -5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.254 -13.931 -5.927 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.883 -13.291 -4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.820 -15.543 -3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.468 -15.400 -4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.542 -16.005 -6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.054 -16.443 -6.018 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.490 -17.701 -4.926 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.753 -17.914 -7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.833 -19.675 -7.259 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.585 -19.964 -5.075 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.429 -20.831 -6.092 1.00 0.00 H new ATOM 134 N LYS A 11 -14.452 -11.333 -4.589 1.00 0.00 N ATOM 135 CA LYS A 11 -14.455 -9.913 -4.259 1.00 0.00 C ATOM 136 C LYS A 11 -14.542 -9.705 -2.750 1.00 0.00 C ATOM 137 O LYS A 11 -15.206 -10.465 -2.047 1.00 0.00 O ATOM 138 CB LYS A 11 -15.627 -9.210 -4.949 1.00 0.00 C ATOM 139 CG LYS A 11 -16.986 -9.620 -4.409 1.00 0.00 C ATOM 140 CD LYS A 11 -17.546 -10.816 -5.162 1.00 0.00 C ATOM 141 CE LYS A 11 -18.192 -10.396 -6.473 1.00 0.00 C ATOM 142 NZ LYS A 11 -19.524 -9.765 -6.258 1.00 0.00 N ATOM 0 H LYS A 11 -14.594 -11.952 -3.790 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.519 -9.481 -4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.511 -8.132 -4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.590 -9.424 -6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.900 -9.863 -3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.678 -8.782 -4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.746 -11.529 -5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.281 -11.327 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.538 -9.696 -6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.303 -11.267 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.997 -9.632 -7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.106 -10.380 -5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.400 -8.842 -5.795 1.00 0.00 H new ATOM 156 N GLY A 12 -13.866 -8.670 -2.260 1.00 0.00 N ATOM 157 CA GLY A 12 -13.882 -8.381 -0.838 1.00 0.00 C ATOM 158 C GLY A 12 -12.844 -7.349 -0.445 1.00 0.00 C ATOM 159 O GLY A 12 -11.972 -7.001 -1.240 1.00 0.00 O ATOM 0 H GLY A 12 -13.308 -8.027 -2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.872 -8.023 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.704 -9.301 -0.281 1.00 0.00 H new ATOM 163 N ASN A 13 -12.938 -6.856 0.786 1.00 0.00 N ATOM 164 CA ASN A 13 -12.001 -5.854 1.282 1.00 0.00 C ATOM 165 C ASN A 13 -11.081 -6.450 2.344 1.00 0.00 C ATOM 166 O ASN A 13 -11.312 -7.557 2.832 1.00 0.00 O ATOM 167 CB ASN A 13 -12.759 -4.658 1.861 1.00 0.00 C ATOM 168 CG ASN A 13 -13.372 -3.785 0.783 1.00 0.00 C ATOM 169 OD1 ASN A 13 -14.502 -4.015 0.351 1.00 0.00 O ATOM 170 ND2 ASN A 13 -12.628 -2.778 0.344 1.00 0.00 N ATOM 0 H ASN A 13 -13.653 -7.134 1.458 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.391 -5.517 0.444 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.545 -5.017 2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.079 -4.059 2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -12.987 -2.157 -0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.697 -2.625 0.731 1.00 0.00 H new ATOM 177 N LEU A 14 -10.037 -5.708 2.697 1.00 0.00 N ATOM 178 CA LEU A 14 -9.081 -6.161 3.702 1.00 0.00 C ATOM 179 C LEU A 14 -9.072 -5.225 4.906 1.00 0.00 C ATOM 180 O LEU A 14 -9.359 -4.032 4.799 1.00 0.00 O ATOM 181 CB LEU A 14 -7.678 -6.246 3.097 1.00 0.00 C ATOM 182 CG LEU A 14 -7.568 -6.971 1.756 1.00 0.00 C ATOM 183 CD1 LEU A 14 -6.329 -6.515 1.002 1.00 0.00 C ATOM 184 CD2 LEU A 14 -7.543 -8.479 1.965 1.00 0.00 C ATOM 0 H LEU A 14 -9.831 -4.790 2.302 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.386 -7.152 4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.296 -5.233 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.025 -6.746 3.812 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.444 -6.722 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.268 -7.042 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.388 -5.442 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.441 -6.733 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.464 -8.979 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.686 -8.747 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.461 -8.793 2.462 1.00 0.00 H new ATOM 196 N PRO A 15 -8.733 -5.776 6.081 1.00 0.00 N ATOM 197 CA PRO A 15 -8.676 -5.007 7.328 1.00 0.00 C ATOM 198 C PRO A 15 -7.517 -4.017 7.346 1.00 0.00 C ATOM 199 O PRO A 15 -6.398 -4.350 6.955 1.00 0.00 O ATOM 200 CB PRO A 15 -8.477 -6.083 8.399 1.00 0.00 C ATOM 201 CG PRO A 15 -7.828 -7.216 7.681 1.00 0.00 C ATOM 202 CD PRO A 15 -8.379 -7.191 6.283 1.00 0.00 C ATOM 0 HA PRO A 15 -9.570 -4.400 7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.851 -5.720 9.214 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.428 -6.385 8.838 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.744 -7.104 7.675 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.048 -8.165 8.170 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.642 -7.529 5.554 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.248 -7.841 6.182 1.00 0.00 H new ATOM 210 N ALA A 16 -7.791 -2.800 7.804 1.00 0.00 N ATOM 211 CA ALA A 16 -6.770 -1.762 7.875 1.00 0.00 C ATOM 212 C ALA A 16 -5.408 -2.355 8.222 1.00 0.00 C ATOM 213 O ALA A 16 -4.474 -2.295 7.423 1.00 0.00 O ATOM 214 CB ALA A 16 -7.163 -0.704 8.895 1.00 0.00 C ATOM 0 H ALA A 16 -8.712 -2.509 8.132 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.694 -1.294 6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.391 0.065 8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.111 -0.251 8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.269 -1.166 9.876 1.00 0.00 H new ATOM 220 N GLU A 17 -5.304 -2.926 9.418 1.00 0.00 N ATOM 221 CA GLU A 17 -4.055 -3.528 9.870 1.00 0.00 C ATOM 222 C GLU A 17 -3.311 -4.176 8.706 1.00 0.00 C ATOM 223 O GLU A 17 -2.142 -3.877 8.460 1.00 0.00 O ATOM 224 CB GLU A 17 -4.329 -4.570 10.956 1.00 0.00 C ATOM 225 CG GLU A 17 -5.299 -5.658 10.526 1.00 0.00 C ATOM 226 CD GLU A 17 -6.048 -6.268 11.695 1.00 0.00 C ATOM 227 OE1 GLU A 17 -6.665 -5.505 12.468 1.00 0.00 O ATOM 228 OE2 GLU A 17 -6.017 -7.508 11.836 1.00 0.00 O ATOM 0 H GLU A 17 -6.069 -2.984 10.091 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.430 -2.737 10.284 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.386 -5.031 11.251 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.727 -4.068 11.837 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.015 -5.242 9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.751 -6.441 10.002 1.00 0.00 H new ATOM 235 N SER A 18 -3.996 -5.064 7.993 1.00 0.00 N ATOM 236 CA SER A 18 -3.399 -5.757 6.857 1.00 0.00 C ATOM 237 C SER A 18 -3.120 -4.786 5.714 1.00 0.00 C ATOM 238 O SER A 18 -2.081 -4.864 5.058 1.00 0.00 O ATOM 239 CB SER A 18 -4.322 -6.878 6.375 1.00 0.00 C ATOM 240 OG SER A 18 -4.236 -8.010 7.223 1.00 0.00 O ATOM 0 H SER A 18 -4.965 -5.321 8.182 1.00 0.00 H new ATOM 0 HA SER A 18 -2.453 -6.189 7.182 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.351 -6.519 6.346 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.054 -7.161 5.357 1.00 0.00 H new ATOM 0 HG SER A 18 -3.847 -8.761 6.728 1.00 0.00 H new ATOM 246 N VAL A 19 -4.055 -3.870 5.481 1.00 0.00 N ATOM 247 CA VAL A 19 -3.910 -2.883 4.419 1.00 0.00 C ATOM 248 C VAL A 19 -2.620 -2.086 4.580 1.00 0.00 C ATOM 249 O VAL A 19 -1.814 -1.993 3.654 1.00 0.00 O ATOM 250 CB VAL A 19 -5.102 -1.908 4.392 1.00 0.00 C ATOM 251 CG1 VAL A 19 -4.861 -0.796 3.383 1.00 0.00 C ATOM 252 CG2 VAL A 19 -6.391 -2.652 4.079 1.00 0.00 C ATOM 0 H VAL A 19 -4.921 -3.792 6.014 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.878 -3.434 3.479 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.200 -1.455 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.714 -0.118 3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.961 -0.245 3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.735 -1.227 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.223 -1.948 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.306 -3.134 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.569 -3.408 4.843 1.00 0.00 H new ATOM 262 N LYS A 20 -2.429 -1.514 5.764 1.00 0.00 N ATOM 263 CA LYS A 20 -1.236 -0.726 6.050 1.00 0.00 C ATOM 264 C LYS A 20 -0.005 -1.348 5.399 1.00 0.00 C ATOM 265 O LYS A 20 0.828 -0.644 4.826 1.00 0.00 O ATOM 266 CB LYS A 20 -1.025 -0.613 7.562 1.00 0.00 C ATOM 267 CG LYS A 20 0.382 -0.192 7.949 1.00 0.00 C ATOM 268 CD LYS A 20 1.294 -1.395 8.130 1.00 0.00 C ATOM 269 CE LYS A 20 2.578 -1.017 8.852 1.00 0.00 C ATOM 270 NZ LYS A 20 2.364 -0.850 10.316 1.00 0.00 N ATOM 0 H LYS A 20 -3.086 -1.582 6.542 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.381 0.271 5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.735 0.108 7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.248 -1.574 8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.791 0.464 7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.349 0.383 8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.772 -2.167 8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.535 -1.820 7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.331 -1.787 8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.970 -0.089 8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.279 -0.693 10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.744 -0.033 10.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.920 -1.708 10.702 1.00 0.00 H new ATOM 284 N ILE A 21 0.104 -2.669 5.490 1.00 0.00 N ATOM 285 CA ILE A 21 1.232 -3.384 4.907 1.00 0.00 C ATOM 286 C ILE A 21 1.259 -3.227 3.391 1.00 0.00 C ATOM 287 O ILE A 21 2.315 -3.004 2.797 1.00 0.00 O ATOM 288 CB ILE A 21 1.189 -4.884 5.256 1.00 0.00 C ATOM 289 CG1 ILE A 21 1.365 -5.084 6.763 1.00 0.00 C ATOM 290 CG2 ILE A 21 2.263 -5.638 4.487 1.00 0.00 C ATOM 291 CD1 ILE A 21 0.062 -5.057 7.532 1.00 0.00 C ATOM 0 H ILE A 21 -0.575 -3.266 5.962 1.00 0.00 H new ATOM 0 HA ILE A 21 2.136 -2.946 5.331 1.00 0.00 H new ATOM 0 HB ILE A 21 0.216 -5.282 4.967 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.862 -6.038 6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.022 -4.306 7.150 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.220 -6.696 4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.096 -5.518 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.244 -5.241 4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.263 -5.205 8.593 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.427 -4.094 7.386 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.590 -5.853 7.172 1.00 0.00 H new ATOM 303 N LEU A 22 0.090 -3.343 2.769 1.00 0.00 N ATOM 304 CA LEU A 22 -0.022 -3.212 1.321 1.00 0.00 C ATOM 305 C LEU A 22 0.103 -1.753 0.894 1.00 0.00 C ATOM 306 O LEU A 22 0.972 -1.401 0.096 1.00 0.00 O ATOM 307 CB LEU A 22 -1.356 -3.783 0.839 1.00 0.00 C ATOM 308 CG LEU A 22 -1.578 -5.275 1.092 1.00 0.00 C ATOM 309 CD1 LEU A 22 -2.994 -5.676 0.709 1.00 0.00 C ATOM 310 CD2 LEU A 22 -0.561 -6.104 0.322 1.00 0.00 C ATOM 0 H LEU A 22 -0.793 -3.527 3.245 1.00 0.00 H new ATOM 0 HA LEU A 22 0.793 -3.775 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.161 -3.229 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.441 -3.600 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.443 -5.467 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.134 -6.741 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.707 -5.106 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.157 -5.469 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.734 -7.163 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.664 -5.907 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.445 -5.837 0.644 1.00 0.00 H new ATOM 322 N ARG A 23 -0.769 -0.908 1.433 1.00 0.00 N ATOM 323 CA ARG A 23 -0.756 0.514 1.110 1.00 0.00 C ATOM 324 C ARG A 23 0.666 1.067 1.150 1.00 0.00 C ATOM 325 O ARG A 23 1.113 1.726 0.211 1.00 0.00 O ATOM 326 CB ARG A 23 -1.644 1.289 2.085 1.00 0.00 C ATOM 327 CG ARG A 23 -3.094 1.389 1.640 1.00 0.00 C ATOM 328 CD ARG A 23 -3.885 2.335 2.530 1.00 0.00 C ATOM 329 NE ARG A 23 -3.770 3.723 2.093 1.00 0.00 N ATOM 330 CZ ARG A 23 -4.065 4.764 2.864 1.00 0.00 C ATOM 331 NH1 ARG A 23 -4.490 4.574 4.105 1.00 0.00 N ATOM 332 NH2 ARG A 23 -3.934 5.998 2.394 1.00 0.00 N ATOM 0 H ARG A 23 -1.494 -1.183 2.096 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.147 0.635 0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.605 0.806 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.241 2.294 2.210 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.136 1.738 0.608 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.551 0.400 1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.935 2.041 2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.530 2.248 3.557 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.445 3.904 1.143 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.591 3.627 4.470 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.716 5.375 4.695 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.607 6.148 1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.161 6.796 2.987 1.00 0.00 H new ATOM 346 N ASP A 24 1.370 0.796 2.243 1.00 0.00 N ATOM 347 CA ASP A 24 2.741 1.266 2.405 1.00 0.00 C ATOM 348 C ASP A 24 3.553 1.021 1.138 1.00 0.00 C ATOM 349 O ASP A 24 4.312 1.885 0.699 1.00 0.00 O ATOM 350 CB ASP A 24 3.404 0.568 3.594 1.00 0.00 C ATOM 351 CG ASP A 24 4.592 1.342 4.131 1.00 0.00 C ATOM 352 OD1 ASP A 24 4.398 2.493 4.575 1.00 0.00 O ATOM 353 OD2 ASP A 24 5.715 0.796 4.108 1.00 0.00 O ATOM 0 H ASP A 24 1.014 0.253 3.030 1.00 0.00 H new ATOM 0 HA ASP A 24 2.711 2.339 2.593 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.670 0.436 4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.729 -0.428 3.292 1.00 0.00 H new ATOM 358 N TRP A 25 3.389 -0.161 0.555 1.00 0.00 N ATOM 359 CA TRP A 25 4.108 -0.520 -0.662 1.00 0.00 C ATOM 360 C TRP A 25 3.495 0.165 -1.878 1.00 0.00 C ATOM 361 O TRP A 25 4.209 0.626 -2.768 1.00 0.00 O ATOM 362 CB TRP A 25 4.099 -2.037 -0.856 1.00 0.00 C ATOM 363 CG TRP A 25 4.784 -2.479 -2.114 1.00 0.00 C ATOM 364 CD1 TRP A 25 6.045 -2.993 -2.223 1.00 0.00 C ATOM 365 CD2 TRP A 25 4.247 -2.444 -3.440 1.00 0.00 C ATOM 366 NE1 TRP A 25 6.323 -3.280 -3.538 1.00 0.00 N ATOM 367 CE2 TRP A 25 5.236 -2.953 -4.304 1.00 0.00 C ATOM 368 CE3 TRP A 25 3.026 -2.034 -3.983 1.00 0.00 C ATOM 369 CZ2 TRP A 25 5.040 -3.060 -5.679 1.00 0.00 C ATOM 370 CZ3 TRP A 25 2.833 -2.141 -5.347 1.00 0.00 C ATOM 371 CH2 TRP A 25 3.835 -2.651 -6.182 1.00 0.00 C ATOM 0 H TRP A 25 2.764 -0.887 0.905 1.00 0.00 H new ATOM 0 HA TRP A 25 5.139 -0.181 -0.559 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.585 -2.508 -0.002 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.067 -2.388 -0.870 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.723 -3.151 -1.398 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.197 -3.673 -3.887 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.247 -1.640 -3.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.812 -3.452 -6.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.893 -1.826 -5.777 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.653 -2.723 -7.244 1.00 0.00 H new ATOM 382 N MET A 26 2.168 0.228 -1.910 1.00 0.00 N ATOM 383 CA MET A 26 1.459 0.858 -3.018 1.00 0.00 C ATOM 384 C MET A 26 1.839 2.331 -3.138 1.00 0.00 C ATOM 385 O MET A 26 1.724 2.925 -4.211 1.00 0.00 O ATOM 386 CB MET A 26 -0.053 0.723 -2.827 1.00 0.00 C ATOM 387 CG MET A 26 -0.864 1.280 -3.986 1.00 0.00 C ATOM 388 SD MET A 26 -2.546 1.719 -3.509 1.00 0.00 S ATOM 389 CE MET A 26 -3.480 0.988 -4.851 1.00 0.00 C ATOM 0 H MET A 26 1.562 -0.149 -1.182 1.00 0.00 H new ATOM 0 HA MET A 26 1.748 0.350 -3.938 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.302 -0.330 -2.693 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.343 1.238 -1.911 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.362 2.161 -4.385 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.899 0.542 -4.788 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.340 1.617 -5.080 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.845 0.905 -5.733 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.824 -0.004 -4.557 1.00 0.00 H new ATOM 399 N TYR A 27 2.290 2.913 -2.033 1.00 0.00 N ATOM 400 CA TYR A 27 2.684 4.317 -2.015 1.00 0.00 C ATOM 401 C TYR A 27 4.044 4.510 -2.678 1.00 0.00 C ATOM 402 O TYR A 27 4.184 5.290 -3.620 1.00 0.00 O ATOM 403 CB TYR A 27 2.726 4.837 -0.577 1.00 0.00 C ATOM 404 CG TYR A 27 2.698 6.346 -0.478 1.00 0.00 C ATOM 405 CD1 TYR A 27 3.680 7.120 -1.084 1.00 0.00 C ATOM 406 CD2 TYR A 27 1.689 6.997 0.221 1.00 0.00 C ATOM 407 CE1 TYR A 27 3.659 8.498 -0.996 1.00 0.00 C ATOM 408 CE2 TYR A 27 1.659 8.375 0.313 1.00 0.00 C ATOM 409 CZ TYR A 27 2.646 9.121 -0.297 1.00 0.00 C ATOM 410 OH TYR A 27 2.621 10.494 -0.206 1.00 0.00 O ATOM 0 H TYR A 27 2.392 2.435 -1.138 1.00 0.00 H new ATOM 0 HA TYR A 27 1.943 4.884 -2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.878 4.429 -0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.629 4.466 -0.091 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.474 6.635 -1.633 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.915 6.416 0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.431 9.084 -1.472 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.867 8.866 0.860 1.00 0.00 H new ATOM 0 HH TYR A 27 1.842 10.773 0.319 1.00 0.00 H new ATOM 420 N LYS A 28 5.045 3.792 -2.179 1.00 0.00 N ATOM 421 CA LYS A 28 6.395 3.881 -2.722 1.00 0.00 C ATOM 422 C LYS A 28 6.419 3.473 -4.191 1.00 0.00 C ATOM 423 O LYS A 28 7.155 4.048 -4.994 1.00 0.00 O ATOM 424 CB LYS A 28 7.349 2.993 -1.919 1.00 0.00 C ATOM 425 CG LYS A 28 7.528 3.438 -0.478 1.00 0.00 C ATOM 426 CD LYS A 28 8.280 2.400 0.337 1.00 0.00 C ATOM 427 CE LYS A 28 8.957 3.025 1.547 1.00 0.00 C ATOM 428 NZ LYS A 28 9.982 2.121 2.138 1.00 0.00 N ATOM 0 H LYS A 28 4.946 3.142 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 28 6.723 4.918 -2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.975 1.969 -1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.322 2.982 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.070 4.384 -0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.552 3.618 -0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.589 1.624 0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.028 1.916 -0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.426 3.965 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.206 3.264 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.420 2.583 2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.530 1.234 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.713 1.913 1.428 1.00 0.00 H new ATOM 442 N HIS A 29 5.608 2.478 -4.537 1.00 0.00 N ATOM 443 CA HIS A 29 5.535 1.995 -5.912 1.00 0.00 C ATOM 444 C HIS A 29 4.307 2.558 -6.621 1.00 0.00 C ATOM 445 O HIS A 29 4.022 2.204 -7.765 1.00 0.00 O ATOM 446 CB HIS A 29 5.495 0.466 -5.936 1.00 0.00 C ATOM 447 CG HIS A 29 6.651 -0.174 -5.230 1.00 0.00 C ATOM 448 ND1 HIS A 29 6.751 -0.686 -3.981 1.00 0.00 N flip ATOM 449 CD2 HIS A 29 7.889 -0.342 -5.813 1.00 0.00 C flip ATOM 450 CE1 HIS A 29 8.035 -1.151 -3.834 1.00 0.00 C flip ATOM 451 NE2 HIS A 29 8.701 -0.932 -4.953 1.00 0.00 N flip ATOM 0 H HIS A 29 4.993 1.991 -3.885 1.00 0.00 H new ATOM 0 HA HIS A 29 6.426 2.337 -6.439 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.566 0.128 -5.476 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.480 0.127 -6.972 1.00 0.00 H new ATOM 0 HD1 HIS A 29 6.011 -0.720 -3.280 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.154 -0.039 -6.815 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.435 -1.620 -2.947 1.00 0.00 H new ATOM 460 N ARG A 30 3.584 3.436 -5.934 1.00 0.00 N ATOM 461 CA ARG A 30 2.386 4.047 -6.498 1.00 0.00 C ATOM 462 C ARG A 30 2.557 4.301 -7.993 1.00 0.00 C ATOM 463 O ARG A 30 1.607 4.178 -8.767 1.00 0.00 O ATOM 464 CB ARG A 30 2.071 5.360 -5.779 1.00 0.00 C ATOM 465 CG ARG A 30 2.867 6.546 -6.300 1.00 0.00 C ATOM 466 CD ARG A 30 2.850 7.704 -5.314 1.00 0.00 C ATOM 467 NE ARG A 30 3.937 7.611 -4.342 1.00 0.00 N ATOM 468 CZ ARG A 30 5.186 7.984 -4.598 1.00 0.00 C ATOM 469 NH1 ARG A 30 5.504 8.472 -5.789 1.00 0.00 N ATOM 470 NH2 ARG A 30 6.119 7.868 -3.662 1.00 0.00 N ATOM 0 H ARG A 30 3.807 3.740 -4.986 1.00 0.00 H new ATOM 0 HA ARG A 30 1.555 3.355 -6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.007 5.574 -5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.271 5.238 -4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.897 6.241 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.453 6.873 -7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.930 8.645 -5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.895 7.719 -4.789 1.00 0.00 H new ATOM 0 HE ARG A 30 3.725 7.239 -3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.789 8.562 -6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.464 8.758 -5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.878 7.492 -2.745 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.078 8.155 -3.859 1.00 0.00 H new ATOM 484 N PHE A 31 3.774 4.656 -8.392 1.00 0.00 N ATOM 485 CA PHE A 31 4.069 4.929 -9.793 1.00 0.00 C ATOM 486 C PHE A 31 3.372 3.921 -10.702 1.00 0.00 C ATOM 487 O PHE A 31 2.756 4.291 -11.702 1.00 0.00 O ATOM 488 CB PHE A 31 5.580 4.891 -10.035 1.00 0.00 C ATOM 489 CG PHE A 31 6.249 6.224 -9.856 1.00 0.00 C ATOM 490 CD1 PHE A 31 5.817 7.105 -8.878 1.00 0.00 C ATOM 491 CD2 PHE A 31 7.310 6.596 -10.666 1.00 0.00 C ATOM 492 CE1 PHE A 31 6.431 8.333 -8.712 1.00 0.00 C ATOM 493 CE2 PHE A 31 7.928 7.822 -10.505 1.00 0.00 C ATOM 494 CZ PHE A 31 7.488 8.691 -9.526 1.00 0.00 C ATOM 0 H PHE A 31 4.571 4.761 -7.765 1.00 0.00 H new ATOM 0 HA PHE A 31 3.695 5.925 -10.030 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.032 4.172 -9.351 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.769 4.531 -11.046 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.992 6.830 -8.238 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.658 5.920 -11.433 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.084 9.012 -7.947 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.753 8.100 -11.144 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.970 9.649 -9.397 1.00 0.00 H new ATOM 504 N LYS A 32 3.475 2.645 -10.348 1.00 0.00 N ATOM 505 CA LYS A 32 2.855 1.581 -11.130 1.00 0.00 C ATOM 506 C LYS A 32 1.784 0.862 -10.317 1.00 0.00 C ATOM 507 O LYS A 32 0.808 0.354 -10.869 1.00 0.00 O ATOM 508 CB LYS A 32 3.914 0.580 -11.598 1.00 0.00 C ATOM 509 CG LYS A 32 4.591 -0.164 -10.461 1.00 0.00 C ATOM 510 CD LYS A 32 5.849 0.551 -9.997 1.00 0.00 C ATOM 511 CE LYS A 32 7.027 0.257 -10.913 1.00 0.00 C ATOM 512 NZ LYS A 32 8.285 0.882 -10.417 1.00 0.00 N ATOM 0 H LYS A 32 3.982 2.322 -9.524 1.00 0.00 H new ATOM 0 HA LYS A 32 2.382 2.033 -12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.448 -0.143 -12.268 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.671 1.109 -12.177 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.898 -0.262 -9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.844 -1.173 -10.785 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.668 1.626 -9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.091 0.241 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.164 -0.821 -10.993 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.809 0.626 -11.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.064 0.658 -11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.163 1.913 -10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.507 0.511 -9.471 1.00 0.00 H new ATOM 526 N ALA A 33 1.972 0.823 -9.002 1.00 0.00 N ATOM 527 CA ALA A 33 1.020 0.169 -8.112 1.00 0.00 C ATOM 528 C ALA A 33 0.708 -1.246 -8.588 1.00 0.00 C ATOM 529 O ALA A 33 -0.431 -1.704 -8.496 1.00 0.00 O ATOM 530 CB ALA A 33 -0.257 0.989 -8.012 1.00 0.00 C ATOM 0 H ALA A 33 2.775 1.237 -8.529 1.00 0.00 H new ATOM 0 HA ALA A 33 1.472 0.100 -7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.959 0.489 -7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.024 1.979 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.704 1.088 -9.001 1.00 0.00 H new ATOM 536 N TYR A 34 1.725 -1.932 -9.097 1.00 0.00 N ATOM 537 CA TYR A 34 1.557 -3.294 -9.591 1.00 0.00 C ATOM 538 C TYR A 34 2.688 -4.193 -9.102 1.00 0.00 C ATOM 539 O TYR A 34 3.753 -4.282 -9.712 1.00 0.00 O ATOM 540 CB TYR A 34 1.508 -3.302 -11.120 1.00 0.00 C ATOM 541 CG TYR A 34 0.274 -2.639 -11.690 1.00 0.00 C ATOM 542 CD1 TYR A 34 -0.978 -2.859 -11.130 1.00 0.00 C ATOM 543 CD2 TYR A 34 0.361 -1.793 -12.788 1.00 0.00 C ATOM 544 CE1 TYR A 34 -2.108 -2.256 -11.648 1.00 0.00 C ATOM 545 CE2 TYR A 34 -0.763 -1.184 -13.311 1.00 0.00 C ATOM 546 CZ TYR A 34 -1.995 -1.419 -12.738 1.00 0.00 C ATOM 547 OH TYR A 34 -3.118 -0.816 -13.257 1.00 0.00 O ATOM 0 H TYR A 34 2.674 -1.568 -9.178 1.00 0.00 H new ATOM 0 HA TYR A 34 0.615 -3.681 -9.202 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.393 -2.796 -11.506 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.551 -4.333 -11.471 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.070 -3.513 -10.275 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.324 -1.608 -13.241 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.074 -2.439 -11.202 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.677 -0.527 -14.164 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.855 -0.185 -13.959 1.00 0.00 H new ATOM 557 N PRO A 35 2.452 -4.879 -7.973 1.00 0.00 N ATOM 558 CA PRO A 35 3.437 -5.785 -7.377 1.00 0.00 C ATOM 559 C PRO A 35 3.648 -7.043 -8.212 1.00 0.00 C ATOM 560 O PRO A 35 2.731 -7.514 -8.885 1.00 0.00 O ATOM 561 CB PRO A 35 2.818 -6.140 -6.022 1.00 0.00 C ATOM 562 CG PRO A 35 1.353 -5.954 -6.215 1.00 0.00 C ATOM 563 CD PRO A 35 1.204 -4.821 -7.193 1.00 0.00 C ATOM 0 HA PRO A 35 4.422 -5.324 -7.304 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.053 -7.165 -5.736 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.198 -5.493 -5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.891 -6.864 -6.599 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.861 -5.721 -5.270 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.327 -4.950 -7.827 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.092 -3.863 -6.685 1.00 0.00 H new ATOM 571 N SER A 36 4.861 -7.583 -8.164 1.00 0.00 N ATOM 572 CA SER A 36 5.193 -8.786 -8.920 1.00 0.00 C ATOM 573 C SER A 36 4.867 -10.040 -8.115 1.00 0.00 C ATOM 574 O SER A 36 4.829 -10.009 -6.886 1.00 0.00 O ATOM 575 CB SER A 36 6.675 -8.781 -9.301 1.00 0.00 C ATOM 576 OG SER A 36 6.997 -7.643 -10.082 1.00 0.00 O ATOM 0 H SER A 36 5.631 -7.207 -7.610 1.00 0.00 H new ATOM 0 HA SER A 36 4.592 -8.792 -9.829 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.286 -8.791 -8.398 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.914 -9.687 -9.858 1.00 0.00 H new ATOM 0 HG SER A 36 7.950 -7.662 -10.311 1.00 0.00 H new ATOM 582 N GLU A 37 4.633 -11.143 -8.820 1.00 0.00 N ATOM 583 CA GLU A 37 4.310 -12.408 -8.171 1.00 0.00 C ATOM 584 C GLU A 37 5.097 -12.572 -6.874 1.00 0.00 C ATOM 585 O GLU A 37 4.639 -13.225 -5.937 1.00 0.00 O ATOM 586 CB GLU A 37 4.605 -13.579 -9.111 1.00 0.00 C ATOM 587 CG GLU A 37 3.725 -13.602 -10.350 1.00 0.00 C ATOM 588 CD GLU A 37 4.223 -14.574 -11.402 1.00 0.00 C ATOM 589 OE1 GLU A 37 3.860 -15.767 -11.326 1.00 0.00 O ATOM 590 OE2 GLU A 37 4.976 -14.142 -12.299 1.00 0.00 O ATOM 0 H GLU A 37 4.661 -11.186 -9.839 1.00 0.00 H new ATOM 0 HA GLU A 37 3.247 -12.402 -7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.650 -13.533 -9.419 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.474 -14.514 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.708 -13.872 -10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.681 -12.601 -10.778 1.00 0.00 H new ATOM 597 N GLU A 38 6.284 -11.975 -6.830 1.00 0.00 N ATOM 598 CA GLU A 38 7.135 -12.056 -5.649 1.00 0.00 C ATOM 599 C GLU A 38 6.680 -11.066 -4.581 1.00 0.00 C ATOM 600 O GLU A 38 6.513 -11.427 -3.417 1.00 0.00 O ATOM 601 CB GLU A 38 8.593 -11.782 -6.025 1.00 0.00 C ATOM 602 CG GLU A 38 9.340 -13.016 -6.504 1.00 0.00 C ATOM 603 CD GLU A 38 10.629 -12.674 -7.225 1.00 0.00 C ATOM 604 OE1 GLU A 38 10.679 -11.614 -7.882 1.00 0.00 O ATOM 605 OE2 GLU A 38 11.589 -13.467 -7.131 1.00 0.00 O ATOM 0 H GLU A 38 6.678 -11.431 -7.598 1.00 0.00 H new ATOM 0 HA GLU A 38 7.054 -13.064 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.621 -11.024 -6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.111 -11.367 -5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.564 -13.655 -5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.696 -13.590 -7.171 1.00 0.00 H new ATOM 612 N GLU A 39 6.481 -9.816 -4.987 1.00 0.00 N ATOM 613 CA GLU A 39 6.046 -8.774 -4.064 1.00 0.00 C ATOM 614 C GLU A 39 4.791 -9.203 -3.311 1.00 0.00 C ATOM 615 O GLU A 39 4.734 -9.130 -2.083 1.00 0.00 O ATOM 616 CB GLU A 39 5.780 -7.470 -4.821 1.00 0.00 C ATOM 617 CG GLU A 39 6.992 -6.943 -5.569 1.00 0.00 C ATOM 618 CD GLU A 39 8.201 -6.764 -4.671 1.00 0.00 C ATOM 619 OE1 GLU A 39 8.012 -6.420 -3.485 1.00 0.00 O ATOM 620 OE2 GLU A 39 9.334 -6.969 -5.153 1.00 0.00 O ATOM 0 H GLU A 39 6.614 -9.500 -5.948 1.00 0.00 H new ATOM 0 HA GLU A 39 6.844 -8.609 -3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.968 -7.630 -5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.442 -6.712 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.243 -7.631 -6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.742 -5.987 -6.030 1.00 0.00 H new ATOM 627 N LYS A 40 3.785 -9.650 -4.056 1.00 0.00 N ATOM 628 CA LYS A 40 2.530 -10.092 -3.461 1.00 0.00 C ATOM 629 C LYS A 40 2.772 -11.192 -2.433 1.00 0.00 C ATOM 630 O LYS A 40 2.549 -10.997 -1.238 1.00 0.00 O ATOM 631 CB LYS A 40 1.576 -10.596 -4.547 1.00 0.00 C ATOM 632 CG LYS A 40 1.793 -9.939 -5.899 1.00 0.00 C ATOM 633 CD LYS A 40 0.566 -10.070 -6.786 1.00 0.00 C ATOM 634 CE LYS A 40 0.839 -9.560 -8.193 1.00 0.00 C ATOM 635 NZ LYS A 40 -0.225 -9.975 -9.149 1.00 0.00 N ATOM 0 H LYS A 40 3.815 -9.715 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 40 2.077 -9.239 -2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.696 -11.674 -4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.549 -10.420 -4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.030 -8.885 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.651 -10.396 -6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.257 -11.114 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.262 -9.511 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.910 -8.472 -8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.803 -9.937 -8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.140 -9.916 -10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.512 -10.954 -8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.046 -9.345 -9.049 1.00 0.00 H new ATOM 649 N GLN A 41 3.232 -12.347 -2.905 1.00 0.00 N ATOM 650 CA GLN A 41 3.506 -13.477 -2.025 1.00 0.00 C ATOM 651 C GLN A 41 4.244 -13.023 -0.770 1.00 0.00 C ATOM 652 O GLN A 41 4.041 -13.572 0.313 1.00 0.00 O ATOM 653 CB GLN A 41 4.329 -14.535 -2.761 1.00 0.00 C ATOM 654 CG GLN A 41 4.161 -15.937 -2.197 1.00 0.00 C ATOM 655 CD GLN A 41 2.713 -16.279 -1.905 1.00 0.00 C ATOM 656 OE1 GLN A 41 2.026 -16.880 -2.731 1.00 0.00 O ATOM 657 NE2 GLN A 41 2.241 -15.895 -0.724 1.00 0.00 N ATOM 0 H GLN A 41 3.423 -12.524 -3.891 1.00 0.00 H new ATOM 0 HA GLN A 41 2.553 -13.912 -1.726 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.043 -14.539 -3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.383 -14.259 -2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.565 -16.660 -2.905 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.744 -16.028 -1.280 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.846 -15.399 -0.070 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.273 -16.096 -0.472 1.00 0.00 H new ATOM 666 N MET A 42 5.101 -12.019 -0.924 1.00 0.00 N ATOM 667 CA MET A 42 5.868 -11.492 0.199 1.00 0.00 C ATOM 668 C MET A 42 4.955 -10.793 1.201 1.00 0.00 C ATOM 669 O MET A 42 5.019 -11.056 2.403 1.00 0.00 O ATOM 670 CB MET A 42 6.938 -10.518 -0.300 1.00 0.00 C ATOM 671 CG MET A 42 7.413 -9.541 0.763 1.00 0.00 C ATOM 672 SD MET A 42 8.486 -8.255 0.094 1.00 0.00 S ATOM 673 CE MET A 42 7.283 -7.188 -0.696 1.00 0.00 C ATOM 0 H MET A 42 5.282 -11.555 -1.814 1.00 0.00 H new ATOM 0 HA MET A 42 6.354 -12.329 0.700 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.792 -11.087 -0.667 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.541 -9.957 -1.146 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.548 -9.077 1.237 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.948 -10.087 1.540 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.773 -6.275 -1.033 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.846 -7.703 -1.552 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.497 -6.937 0.016 1.00 0.00 H new ATOM 683 N LEU A 43 4.107 -9.901 0.701 1.00 0.00 N ATOM 684 CA LEU A 43 3.181 -9.164 1.553 1.00 0.00 C ATOM 685 C LEU A 43 2.153 -10.101 2.179 1.00 0.00 C ATOM 686 O LEU A 43 1.824 -9.979 3.358 1.00 0.00 O ATOM 687 CB LEU A 43 2.471 -8.075 0.746 1.00 0.00 C ATOM 688 CG LEU A 43 3.372 -7.157 -0.081 1.00 0.00 C ATOM 689 CD1 LEU A 43 2.622 -6.621 -1.290 1.00 0.00 C ATOM 690 CD2 LEU A 43 3.897 -6.013 0.775 1.00 0.00 C ATOM 0 H LEU A 43 4.042 -9.671 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 43 3.755 -8.698 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.760 -8.555 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.893 -7.459 1.435 1.00 0.00 H new ATOM 0 HG LEU A 43 4.223 -7.738 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.279 -5.970 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.297 -7.453 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.752 -6.055 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.536 -5.370 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.059 -5.433 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.472 -6.416 1.608 1.00 0.00 H new ATOM 702 N SER A 44 1.652 -11.039 1.381 1.00 0.00 N ATOM 703 CA SER A 44 0.660 -11.996 1.856 1.00 0.00 C ATOM 704 C SER A 44 1.096 -12.618 3.179 1.00 0.00 C ATOM 705 O SER A 44 0.269 -13.103 3.951 1.00 0.00 O ATOM 706 CB SER A 44 0.438 -13.093 0.813 1.00 0.00 C ATOM 707 OG SER A 44 0.084 -14.319 1.429 1.00 0.00 O ATOM 0 H SER A 44 1.917 -11.156 0.403 1.00 0.00 H new ATOM 0 HA SER A 44 -0.277 -11.462 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.349 -12.789 0.123 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.345 -13.227 0.223 1.00 0.00 H new ATOM 0 HG SER A 44 -0.770 -14.633 1.065 1.00 0.00 H new ATOM 713 N GLU A 45 2.401 -12.600 3.433 1.00 0.00 N ATOM 714 CA GLU A 45 2.947 -13.163 4.663 1.00 0.00 C ATOM 715 C GLU A 45 2.645 -12.260 5.855 1.00 0.00 C ATOM 716 O GLU A 45 2.232 -12.730 6.916 1.00 0.00 O ATOM 717 CB GLU A 45 4.458 -13.364 4.531 1.00 0.00 C ATOM 718 CG GLU A 45 4.842 -14.488 3.584 1.00 0.00 C ATOM 719 CD GLU A 45 6.326 -14.795 3.614 1.00 0.00 C ATOM 720 OE1 GLU A 45 6.922 -14.742 4.710 1.00 0.00 O ATOM 721 OE2 GLU A 45 6.893 -15.089 2.541 1.00 0.00 O ATOM 0 H GLU A 45 3.099 -12.202 2.804 1.00 0.00 H new ATOM 0 HA GLU A 45 2.473 -14.130 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.910 -12.436 4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.876 -13.572 5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.284 -15.386 3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.551 -14.218 2.569 1.00 0.00 H new ATOM 728 N LYS A 46 2.855 -10.960 5.674 1.00 0.00 N ATOM 729 CA LYS A 46 2.606 -9.990 6.733 1.00 0.00 C ATOM 730 C LYS A 46 1.110 -9.744 6.905 1.00 0.00 C ATOM 731 O LYS A 46 0.628 -9.541 8.020 1.00 0.00 O ATOM 732 CB LYS A 46 3.317 -8.671 6.422 1.00 0.00 C ATOM 733 CG LYS A 46 4.817 -8.719 6.656 1.00 0.00 C ATOM 734 CD LYS A 46 5.543 -9.371 5.491 1.00 0.00 C ATOM 735 CE LYS A 46 7.049 -9.189 5.600 1.00 0.00 C ATOM 736 NZ LYS A 46 7.634 -10.037 6.675 1.00 0.00 N ATOM 0 H LYS A 46 3.197 -10.554 4.803 1.00 0.00 H new ATOM 0 HA LYS A 46 2.999 -10.398 7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.128 -8.402 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.887 -7.882 7.038 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.196 -7.707 6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.026 -9.272 7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.305 -10.434 5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.190 -8.940 4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.515 -9.439 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.275 -8.142 5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.662 -9.884 6.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.208 -9.782 7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.441 -11.038 6.471 1.00 0.00 H new ATOM 750 N THR A 47 0.380 -9.766 5.795 1.00 0.00 N ATOM 751 CA THR A 47 -1.061 -9.546 5.823 1.00 0.00 C ATOM 752 C THR A 47 -1.816 -10.864 5.955 1.00 0.00 C ATOM 753 O THR A 47 -2.997 -10.881 6.297 1.00 0.00 O ATOM 754 CB THR A 47 -1.542 -8.816 4.555 1.00 0.00 C ATOM 755 OG1 THR A 47 -1.392 -9.667 3.413 1.00 0.00 O ATOM 756 CG2 THR A 47 -0.760 -7.529 4.341 1.00 0.00 C ATOM 0 H THR A 47 0.763 -9.934 4.865 1.00 0.00 H new ATOM 0 HA THR A 47 -1.269 -8.923 6.693 1.00 0.00 H new ATOM 0 HB THR A 47 -2.595 -8.565 4.685 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.166 -9.125 2.628 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.118 -7.031 3.440 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.900 -6.871 5.199 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.299 -7.761 4.231 1.00 0.00 H new ATOM 764 N ASN A 48 -1.125 -11.966 5.681 1.00 0.00 N ATOM 765 CA ASN A 48 -1.731 -13.289 5.770 1.00 0.00 C ATOM 766 C ASN A 48 -2.897 -13.420 4.794 1.00 0.00 C ATOM 767 O ASN A 48 -3.905 -14.059 5.097 1.00 0.00 O ATOM 768 CB ASN A 48 -2.213 -13.558 7.197 1.00 0.00 C ATOM 769 CG ASN A 48 -1.093 -14.022 8.108 1.00 0.00 C ATOM 770 OD1 ASN A 48 -0.187 -14.737 7.680 1.00 0.00 O ATOM 771 ND2 ASN A 48 -1.152 -13.617 9.371 1.00 0.00 N ATOM 0 H ASN A 48 -0.146 -11.969 5.396 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.973 -14.027 5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.657 -12.650 7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.998 -14.314 7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.427 -13.898 10.031 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.922 -13.025 9.681 1.00 0.00 H new ATOM 778 N LEU A 49 -2.751 -12.811 3.622 1.00 0.00 N ATOM 779 CA LEU A 49 -3.791 -12.860 2.601 1.00 0.00 C ATOM 780 C LEU A 49 -3.398 -13.802 1.467 1.00 0.00 C ATOM 781 O LEU A 49 -2.365 -14.468 1.531 1.00 0.00 O ATOM 782 CB LEU A 49 -4.055 -11.459 2.046 1.00 0.00 C ATOM 783 CG LEU A 49 -4.294 -10.361 3.083 1.00 0.00 C ATOM 784 CD1 LEU A 49 -4.183 -8.986 2.441 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.655 -10.535 3.741 1.00 0.00 C ATOM 0 H LEU A 49 -1.923 -12.278 3.356 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.702 -13.239 3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.205 -11.169 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.924 -11.507 1.390 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.527 -10.443 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.356 -8.218 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.186 -8.861 2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.927 -8.893 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.808 -9.745 4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.436 -10.480 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.698 -11.505 4.237 1.00 0.00 H new ATOM 797 N SER A 50 -4.227 -13.850 0.430 1.00 0.00 N ATOM 798 CA SER A 50 -3.967 -14.711 -0.718 1.00 0.00 C ATOM 799 C SER A 50 -3.619 -13.883 -1.951 1.00 0.00 C ATOM 800 O SER A 50 -4.266 -12.874 -2.238 1.00 0.00 O ATOM 801 CB SER A 50 -5.183 -15.592 -1.007 1.00 0.00 C ATOM 802 OG SER A 50 -5.243 -16.690 -0.113 1.00 0.00 O ATOM 0 H SER A 50 -5.085 -13.303 0.361 1.00 0.00 H new ATOM 0 HA SER A 50 -3.115 -15.347 -0.478 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.094 -14.999 -0.921 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.136 -15.957 -2.033 1.00 0.00 H new ATOM 0 HG SER A 50 -6.030 -17.236 -0.318 1.00 0.00 H new ATOM 808 N LEU A 51 -2.594 -14.315 -2.677 1.00 0.00 N ATOM 809 CA LEU A 51 -2.159 -13.614 -3.880 1.00 0.00 C ATOM 810 C LEU A 51 -3.350 -13.022 -4.626 1.00 0.00 C ATOM 811 O LEU A 51 -3.278 -11.909 -5.150 1.00 0.00 O ATOM 812 CB LEU A 51 -1.390 -14.566 -4.798 1.00 0.00 C ATOM 813 CG LEU A 51 -0.182 -15.268 -4.177 1.00 0.00 C ATOM 814 CD1 LEU A 51 0.440 -16.239 -5.169 1.00 0.00 C ATOM 815 CD2 LEU A 51 0.847 -14.247 -3.712 1.00 0.00 C ATOM 0 H LEU A 51 -2.048 -15.147 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.501 -12.799 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.081 -15.327 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.051 -14.004 -5.668 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.522 -15.834 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.298 -16.729 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.297 -16.990 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.765 -15.695 -6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.700 -14.764 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.181 -13.654 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.397 -13.591 -2.967 1.00 0.00 H new ATOM 827 N LEU A 52 -4.447 -13.771 -4.669 1.00 0.00 N ATOM 828 CA LEU A 52 -5.656 -13.319 -5.349 1.00 0.00 C ATOM 829 C LEU A 52 -6.217 -12.065 -4.686 1.00 0.00 C ATOM 830 O LEU A 52 -6.569 -11.100 -5.363 1.00 0.00 O ATOM 831 CB LEU A 52 -6.711 -14.427 -5.345 1.00 0.00 C ATOM 832 CG LEU A 52 -8.134 -14.000 -5.707 1.00 0.00 C ATOM 833 CD1 LEU A 52 -8.234 -13.678 -7.190 1.00 0.00 C ATOM 834 CD2 LEU A 52 -9.129 -15.086 -5.326 1.00 0.00 C ATOM 0 H LEU A 52 -4.524 -14.694 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.395 -13.077 -6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.397 -15.203 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.730 -14.880 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.377 -13.099 -5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.254 -13.376 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.549 -12.866 -7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.971 -14.561 -7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.137 -14.765 -5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.888 -16.004 -5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.076 -15.267 -4.253 1.00 0.00 H new ATOM 846 N GLN A 53 -6.294 -12.087 -3.360 1.00 0.00 N ATOM 847 CA GLN A 53 -6.811 -10.951 -2.606 1.00 0.00 C ATOM 848 C GLN A 53 -5.896 -9.739 -2.753 1.00 0.00 C ATOM 849 O GLN A 53 -6.364 -8.610 -2.900 1.00 0.00 O ATOM 850 CB GLN A 53 -6.960 -11.317 -1.129 1.00 0.00 C ATOM 851 CG GLN A 53 -8.120 -12.259 -0.849 1.00 0.00 C ATOM 852 CD GLN A 53 -8.118 -12.779 0.575 1.00 0.00 C ATOM 853 OE1 GLN A 53 -8.066 -13.988 0.806 1.00 0.00 O ATOM 854 NE2 GLN A 53 -8.175 -11.868 1.539 1.00 0.00 N ATOM 0 H GLN A 53 -6.005 -12.879 -2.785 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.791 -10.695 -3.009 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.036 -11.780 -0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.096 -10.404 -0.549 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.059 -11.740 -1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.074 -13.101 -1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.217 -10.877 1.302 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.177 -12.159 2.517 1.00 0.00 H new ATOM 863 N ILE A 54 -4.590 -9.982 -2.711 1.00 0.00 N ATOM 864 CA ILE A 54 -3.610 -8.910 -2.840 1.00 0.00 C ATOM 865 C ILE A 54 -3.884 -8.060 -4.076 1.00 0.00 C ATOM 866 O ILE A 54 -4.280 -6.900 -3.969 1.00 0.00 O ATOM 867 CB ILE A 54 -2.176 -9.466 -2.921 1.00 0.00 C ATOM 868 CG1 ILE A 54 -1.821 -10.210 -1.632 1.00 0.00 C ATOM 869 CG2 ILE A 54 -1.186 -8.340 -3.179 1.00 0.00 C ATOM 870 CD1 ILE A 54 -2.075 -9.402 -0.378 1.00 0.00 C ATOM 0 H ILE A 54 -4.186 -10.911 -2.589 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.701 -8.290 -1.948 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.121 -10.170 -3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.400 -11.132 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.769 -10.495 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.177 -8.748 -3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.431 -7.849 -4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.240 -7.615 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.801 -9.992 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.476 -8.492 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.131 -9.140 -0.322 1.00 0.00 H new ATOM 882 N SER A 55 -3.673 -8.647 -5.250 1.00 0.00 N ATOM 883 CA SER A 55 -3.895 -7.943 -6.508 1.00 0.00 C ATOM 884 C SER A 55 -5.319 -7.401 -6.582 1.00 0.00 C ATOM 885 O SER A 55 -5.533 -6.229 -6.889 1.00 0.00 O ATOM 886 CB SER A 55 -3.629 -8.875 -7.692 1.00 0.00 C ATOM 887 OG SER A 55 -3.696 -8.170 -8.920 1.00 0.00 O ATOM 0 H SER A 55 -3.349 -9.608 -5.356 1.00 0.00 H new ATOM 0 HA SER A 55 -3.202 -7.103 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.646 -9.333 -7.585 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.359 -9.684 -7.693 1.00 0.00 H new ATOM 0 HG SER A 55 -3.521 -8.787 -9.661 1.00 0.00 H new ATOM 893 N ASN A 56 -6.290 -8.264 -6.299 1.00 0.00 N ATOM 894 CA ASN A 56 -7.694 -7.873 -6.335 1.00 0.00 C ATOM 895 C ASN A 56 -7.914 -6.565 -5.581 1.00 0.00 C ATOM 896 O ASN A 56 -8.723 -5.732 -5.987 1.00 0.00 O ATOM 897 CB ASN A 56 -8.567 -8.976 -5.732 1.00 0.00 C ATOM 898 CG ASN A 56 -8.837 -10.101 -6.713 1.00 0.00 C ATOM 899 OD1 ASN A 56 -9.514 -11.143 -6.246 1.00 0.00 O flip ATOM 900 ND2 ASN A 56 -8.441 -10.032 -7.877 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.130 -9.238 -6.042 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.978 -7.723 -7.377 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.077 -9.380 -4.846 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.514 -8.548 -5.405 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.924 -9.211 -8.192 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.630 -10.796 -8.526 1.00 0.00 H new ATOM 907 N TRP A 57 -7.188 -6.394 -4.482 1.00 0.00 N ATOM 908 CA TRP A 57 -7.303 -5.187 -3.671 1.00 0.00 C ATOM 909 C TRP A 57 -6.667 -3.994 -4.376 1.00 0.00 C ATOM 910 O TRP A 57 -7.216 -2.892 -4.370 1.00 0.00 O ATOM 911 CB TRP A 57 -6.644 -5.400 -2.307 1.00 0.00 C ATOM 912 CG TRP A 57 -6.431 -4.127 -1.545 1.00 0.00 C ATOM 913 CD1 TRP A 57 -7.333 -3.494 -0.738 1.00 0.00 C ATOM 914 CD2 TRP A 57 -5.241 -3.332 -1.521 1.00 0.00 C ATOM 915 NE1 TRP A 57 -6.775 -2.353 -0.214 1.00 0.00 N ATOM 916 CE2 TRP A 57 -5.492 -2.231 -0.678 1.00 0.00 C ATOM 917 CE3 TRP A 57 -3.987 -3.443 -2.127 1.00 0.00 C ATOM 918 CZ2 TRP A 57 -4.535 -1.251 -0.429 1.00 0.00 C ATOM 919 CZ3 TRP A 57 -3.038 -2.469 -1.879 1.00 0.00 C ATOM 920 CH2 TRP A 57 -3.316 -1.385 -1.036 1.00 0.00 C ATOM 0 H TRP A 57 -6.514 -7.075 -4.132 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.363 -4.976 -3.526 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -7.264 -6.071 -1.713 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.683 -5.895 -2.449 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -8.337 -3.839 -0.541 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.241 -1.702 0.418 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.763 -4.275 -2.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -4.747 -0.415 0.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.066 -2.545 -2.343 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.553 -0.641 -0.862 1.00 0.00 H new ATOM 931 N PHE A 58 -5.507 -4.221 -4.983 1.00 0.00 N ATOM 932 CA PHE A 58 -4.796 -3.164 -5.692 1.00 0.00 C ATOM 933 C PHE A 58 -5.668 -2.566 -6.793 1.00 0.00 C ATOM 934 O PHE A 58 -5.620 -1.363 -7.052 1.00 0.00 O ATOM 935 CB PHE A 58 -3.498 -3.707 -6.293 1.00 0.00 C ATOM 936 CG PHE A 58 -2.321 -3.611 -5.365 1.00 0.00 C ATOM 937 CD1 PHE A 58 -1.595 -2.435 -5.266 1.00 0.00 C ATOM 938 CD2 PHE A 58 -1.942 -4.696 -4.591 1.00 0.00 C ATOM 939 CE1 PHE A 58 -0.511 -2.344 -4.413 1.00 0.00 C ATOM 940 CE2 PHE A 58 -0.860 -4.610 -3.735 1.00 0.00 C ATOM 941 CZ PHE A 58 -0.144 -3.433 -3.646 1.00 0.00 C ATOM 0 H PHE A 58 -5.039 -5.127 -4.998 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.556 -2.379 -4.975 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.645 -4.750 -6.573 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.274 -3.160 -7.209 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.879 -1.580 -5.862 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.498 -5.619 -4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.048 -1.423 -4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.575 -5.463 -3.136 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.702 -3.364 -2.978 1.00 0.00 H new ATOM 951 N ILE A 59 -6.462 -3.414 -7.437 1.00 0.00 N ATOM 952 CA ILE A 59 -7.344 -2.970 -8.509 1.00 0.00 C ATOM 953 C ILE A 59 -8.305 -1.892 -8.019 1.00 0.00 C ATOM 954 O ILE A 59 -8.186 -0.725 -8.392 1.00 0.00 O ATOM 955 CB ILE A 59 -8.158 -4.142 -9.089 1.00 0.00 C ATOM 956 CG1 ILE A 59 -7.223 -5.192 -9.693 1.00 0.00 C ATOM 957 CG2 ILE A 59 -9.141 -3.637 -10.135 1.00 0.00 C ATOM 958 CD1 ILE A 59 -7.933 -6.456 -10.125 1.00 0.00 C ATOM 0 H ILE A 59 -6.513 -4.413 -7.235 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.707 -2.557 -9.292 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.723 -4.607 -8.281 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.712 -4.760 -10.553 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.456 -5.447 -8.962 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.709 -4.477 -10.536 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.825 -2.922 -9.677 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.595 -3.150 -10.943 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.209 -7.155 -10.543 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.421 -6.912 -9.264 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.681 -6.213 -10.880 1.00 0.00 H new ATOM 970 N ASN A 60 -9.255 -2.290 -7.179 1.00 0.00 N ATOM 971 CA ASN A 60 -10.236 -1.358 -6.637 1.00 0.00 C ATOM 972 C ASN A 60 -9.552 -0.259 -5.828 1.00 0.00 C ATOM 973 O ASN A 60 -9.975 0.896 -5.849 1.00 0.00 O ATOM 974 CB ASN A 60 -11.245 -2.100 -5.759 1.00 0.00 C ATOM 975 CG ASN A 60 -11.547 -3.493 -6.277 1.00 0.00 C ATOM 976 OD1 ASN A 60 -11.051 -4.486 -5.744 1.00 0.00 O ATOM 977 ND2 ASN A 60 -12.364 -3.573 -7.321 1.00 0.00 N ATOM 0 H ASN A 60 -9.366 -3.252 -6.859 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.762 -0.896 -7.472 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.857 -2.169 -4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.170 -1.526 -5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.603 -4.484 -7.713 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.752 -2.724 -7.731 1.00 0.00 H new ATOM 984 N ALA A 61 -8.493 -0.629 -5.115 1.00 0.00 N ATOM 985 CA ALA A 61 -7.750 0.324 -4.301 1.00 0.00 C ATOM 986 C ALA A 61 -7.113 1.406 -5.167 1.00 0.00 C ATOM 987 O ALA A 61 -7.107 2.582 -4.803 1.00 0.00 O ATOM 988 CB ALA A 61 -6.686 -0.395 -3.485 1.00 0.00 C ATOM 0 H ALA A 61 -8.131 -1.582 -5.085 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.451 0.806 -3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.139 0.329 -2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.161 -1.126 -2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.995 -0.904 -4.157 1.00 0.00 H new ATOM 994 N ARG A 62 -6.576 1.000 -6.313 1.00 0.00 N ATOM 995 CA ARG A 62 -5.935 1.935 -7.229 1.00 0.00 C ATOM 996 C ARG A 62 -6.955 2.905 -7.819 1.00 0.00 C ATOM 997 O ARG A 62 -6.605 3.793 -8.597 1.00 0.00 O ATOM 998 CB ARG A 62 -5.228 1.177 -8.354 1.00 0.00 C ATOM 999 CG ARG A 62 -3.853 0.656 -7.966 1.00 0.00 C ATOM 1000 CD ARG A 62 -3.252 -0.203 -9.068 1.00 0.00 C ATOM 1001 NE ARG A 62 -2.940 0.578 -10.262 1.00 0.00 N ATOM 1002 CZ ARG A 62 -3.811 0.806 -11.239 1.00 0.00 C ATOM 1003 NH1 ARG A 62 -5.041 0.316 -11.163 1.00 0.00 N ATOM 1004 NH2 ARG A 62 -3.453 1.527 -12.294 1.00 0.00 N ATOM 0 H ARG A 62 -6.572 0.030 -6.629 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.198 2.507 -6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.851 0.338 -8.663 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.128 1.835 -9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.191 1.496 -7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.929 0.072 -7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.344 -0.681 -8.700 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.949 -0.999 -9.328 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.002 0.970 -10.351 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.320 -0.237 -10.353 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.708 0.493 -11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.508 1.907 -12.355 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.123 1.701 -13.043 1.00 0.00 H new ATOM 1018 N ARG A 63 -8.218 2.727 -7.444 1.00 0.00 N ATOM 1019 CA ARG A 63 -9.289 3.585 -7.937 1.00 0.00 C ATOM 1020 C ARG A 63 -9.721 4.584 -6.869 1.00 0.00 C ATOM 1021 O ARG A 63 -10.236 5.658 -7.181 1.00 0.00 O ATOM 1022 CB ARG A 63 -10.487 2.740 -8.374 1.00 0.00 C ATOM 1023 CG ARG A 63 -10.417 2.286 -9.824 1.00 0.00 C ATOM 1024 CD ARG A 63 -9.307 1.269 -10.036 1.00 0.00 C ATOM 1025 NE ARG A 63 -8.940 1.144 -11.444 1.00 0.00 N ATOM 1026 CZ ARG A 63 -9.603 0.387 -12.311 1.00 0.00 C ATOM 1027 NH1 ARG A 63 -10.660 -0.309 -11.916 1.00 0.00 N ATOM 1028 NH2 ARG A 63 -9.208 0.325 -13.576 1.00 0.00 N ATOM 0 H ARG A 63 -8.524 1.997 -6.801 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.910 4.139 -8.796 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.556 1.863 -7.731 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -11.400 3.316 -8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -11.372 1.850 -10.116 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.250 3.149 -10.469 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.431 1.563 -9.458 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.628 0.298 -9.658 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.131 1.666 -11.780 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.966 -0.264 -10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.167 -0.889 -12.584 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.395 0.859 -13.883 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.717 -0.256 -14.241 1.00 0.00 H new ATOM 1042 N ARG A 64 -9.508 4.223 -5.607 1.00 0.00 N ATOM 1043 CA ARG A 64 -9.876 5.087 -4.493 1.00 0.00 C ATOM 1044 C ARG A 64 -8.687 5.314 -3.564 1.00 0.00 C ATOM 1045 O ARG A 64 -8.433 6.437 -3.127 1.00 0.00 O ATOM 1046 CB ARG A 64 -11.039 4.477 -3.709 1.00 0.00 C ATOM 1047 CG ARG A 64 -11.918 5.508 -3.021 1.00 0.00 C ATOM 1048 CD ARG A 64 -12.815 6.228 -4.016 1.00 0.00 C ATOM 1049 NE ARG A 64 -13.812 5.335 -4.600 1.00 0.00 N ATOM 1050 CZ ARG A 64 -14.908 4.938 -3.961 1.00 0.00 C ATOM 1051 NH1 ARG A 64 -15.145 5.354 -2.725 1.00 0.00 N ATOM 1052 NH2 ARG A 64 -15.768 4.124 -4.560 1.00 0.00 N ATOM 0 H ARG A 64 -9.082 3.338 -5.332 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.186 6.049 -4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.652 3.884 -4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.641 3.793 -2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.531 5.018 -2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.292 6.234 -2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.318 7.056 -3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.204 6.658 -4.810 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.659 4.997 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -14.486 5.980 -2.262 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -15.987 5.048 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -15.588 3.803 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -16.609 3.820 -4.069 1.00 0.00 H new ATOM 1066 N ILE A 65 -7.962 4.241 -3.267 1.00 0.00 N ATOM 1067 CA ILE A 65 -6.799 4.324 -2.392 1.00 0.00 C ATOM 1068 C ILE A 65 -5.654 5.070 -3.067 1.00 0.00 C ATOM 1069 O ILE A 65 -5.158 6.071 -2.548 1.00 0.00 O ATOM 1070 CB ILE A 65 -6.309 2.925 -1.973 1.00 0.00 C ATOM 1071 CG1 ILE A 65 -7.331 2.257 -1.051 1.00 0.00 C ATOM 1072 CG2 ILE A 65 -4.953 3.021 -1.289 1.00 0.00 C ATOM 1073 CD1 ILE A 65 -6.981 0.830 -0.694 1.00 0.00 C ATOM 0 H ILE A 65 -8.159 3.304 -3.619 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.112 4.872 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.200 2.312 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.418 2.841 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.308 2.273 -1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.620 2.024 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.229 3.459 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.037 3.648 -0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.749 0.420 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.923 0.231 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.019 0.808 -0.183 1.00 0.00 H new ATOM 1085 N LEU A 66 -5.239 4.579 -4.230 1.00 0.00 N ATOM 1086 CA LEU A 66 -4.152 5.200 -4.979 1.00 0.00 C ATOM 1087 C LEU A 66 -4.356 6.708 -5.084 1.00 0.00 C ATOM 1088 O LEU A 66 -3.483 7.503 -4.735 1.00 0.00 O ATOM 1089 CB LEU A 66 -4.056 4.589 -6.378 1.00 0.00 C ATOM 1090 CG LEU A 66 -3.259 5.390 -7.407 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -1.916 5.811 -6.831 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -3.064 4.579 -8.680 1.00 0.00 C ATOM 0 H LEU A 66 -5.639 3.753 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.221 5.014 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.607 3.600 -6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.067 4.448 -6.761 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.823 6.289 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.362 6.380 -7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.077 6.430 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.345 4.925 -6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.495 5.165 -9.401 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.521 3.663 -8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.036 4.328 -9.104 1.00 0.00 H new ATOM 1104 N PRO A 67 -5.538 7.113 -5.574 1.00 0.00 N ATOM 1105 CA PRO A 67 -5.885 8.528 -5.734 1.00 0.00 C ATOM 1106 C PRO A 67 -6.089 9.230 -4.395 1.00 0.00 C ATOM 1107 O PRO A 67 -6.446 10.407 -4.348 1.00 0.00 O ATOM 1108 CB PRO A 67 -7.198 8.485 -6.520 1.00 0.00 C ATOM 1109 CG PRO A 67 -7.788 7.155 -6.198 1.00 0.00 C ATOM 1110 CD PRO A 67 -6.625 6.221 -6.009 1.00 0.00 C ATOM 0 HA PRO A 67 -5.093 9.088 -6.231 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.864 9.296 -6.224 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.022 8.592 -7.590 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.398 7.207 -5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.438 6.811 -7.003 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.841 5.457 -5.262 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.373 5.701 -6.933 1.00 0.00 H new ATOM 1118 N ASP A 68 -5.861 8.499 -3.309 1.00 0.00 N ATOM 1119 CA ASP A 68 -6.018 9.052 -1.969 1.00 0.00 C ATOM 1120 C ASP A 68 -4.679 9.534 -1.419 1.00 0.00 C ATOM 1121 O ASP A 68 -4.541 10.689 -1.017 1.00 0.00 O ATOM 1122 CB ASP A 68 -6.622 8.007 -1.030 1.00 0.00 C ATOM 1123 CG ASP A 68 -7.050 8.599 0.298 1.00 0.00 C ATOM 1124 OD1 ASP A 68 -6.215 8.638 1.226 1.00 0.00 O ATOM 1125 OD2 ASP A 68 -8.219 9.024 0.410 1.00 0.00 O ATOM 0 H ASP A 68 -5.567 7.523 -3.331 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.693 9.906 -2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.483 7.544 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.892 7.217 -0.854 1.00 0.00 H new ATOM 1130 N MET A 69 -3.695 8.641 -1.404 1.00 0.00 N ATOM 1131 CA MET A 69 -2.367 8.975 -0.904 1.00 0.00 C ATOM 1132 C MET A 69 -1.665 9.957 -1.837 1.00 0.00 C ATOM 1133 O MET A 69 -0.916 10.826 -1.391 1.00 0.00 O ATOM 1134 CB MET A 69 -1.523 7.708 -0.749 1.00 0.00 C ATOM 1135 CG MET A 69 -1.278 6.978 -2.059 1.00 0.00 C ATOM 1136 SD MET A 69 -0.487 5.375 -1.823 1.00 0.00 S ATOM 1137 CE MET A 69 -1.903 4.354 -1.423 1.00 0.00 C ATOM 0 H MET A 69 -3.792 7.680 -1.733 1.00 0.00 H new ATOM 0 HA MET A 69 -2.482 9.448 0.071 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.563 7.972 -0.305 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.021 7.032 -0.053 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.228 6.838 -2.575 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.653 7.596 -2.703 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.575 3.329 -1.249 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.386 4.738 -0.525 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.611 4.373 -2.252 1.00 0.00 H new ATOM 1147 N LEU A 70 -1.913 9.812 -3.134 1.00 0.00 N ATOM 1148 CA LEU A 70 -1.305 10.686 -4.131 1.00 0.00 C ATOM 1149 C LEU A 70 -1.649 12.147 -3.857 1.00 0.00 C ATOM 1150 O LEU A 70 -0.763 12.995 -3.757 1.00 0.00 O ATOM 1151 CB LEU A 70 -1.772 10.295 -5.534 1.00 0.00 C ATOM 1152 CG LEU A 70 -0.878 9.310 -6.288 1.00 0.00 C ATOM 1153 CD1 LEU A 70 0.344 10.020 -6.851 1.00 0.00 C ATOM 1154 CD2 LEU A 70 -0.458 8.165 -5.378 1.00 0.00 C ATOM 0 H LEU A 70 -2.531 9.098 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.223 10.569 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.770 9.863 -5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.863 11.202 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.448 8.897 -7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.968 9.303 -7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.025 10.804 -7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.916 10.463 -6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.178 7.474 -5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.094 8.561 -4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.344 7.638 -5.024 1.00 0.00 H new ATOM 1166 N GLN A 71 -2.942 12.432 -3.736 1.00 0.00 N ATOM 1167 CA GLN A 71 -3.402 13.790 -3.472 1.00 0.00 C ATOM 1168 C GLN A 71 -2.437 14.522 -2.546 1.00 0.00 C ATOM 1169 O GLN A 71 -1.993 13.972 -1.538 1.00 0.00 O ATOM 1170 CB GLN A 71 -4.802 13.766 -2.854 1.00 0.00 C ATOM 1171 CG GLN A 71 -5.912 13.554 -3.871 1.00 0.00 C ATOM 1172 CD GLN A 71 -7.290 13.554 -3.239 1.00 0.00 C ATOM 1173 OE1 GLN A 71 -7.424 13.567 -2.015 1.00 0.00 O ATOM 1174 NE2 GLN A 71 -8.324 13.541 -4.072 1.00 0.00 N ATOM 0 H GLN A 71 -3.688 11.741 -3.817 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.441 14.324 -4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.847 12.972 -2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.975 14.706 -2.330 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.863 14.339 -4.626 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.752 12.606 -4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.167 13.530 -5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.275 13.542 -3.704 1.00 0.00 H new ATOM 1183 N GLN A 72 -2.117 15.764 -2.894 1.00 0.00 N ATOM 1184 CA GLN A 72 -1.204 16.570 -2.093 1.00 0.00 C ATOM 1185 C GLN A 72 -1.373 16.271 -0.607 1.00 0.00 C ATOM 1186 O GLN A 72 -2.493 16.213 -0.099 1.00 0.00 O ATOM 1187 CB GLN A 72 -1.440 18.059 -2.356 1.00 0.00 C ATOM 1188 CG GLN A 72 -1.196 18.468 -3.799 1.00 0.00 C ATOM 1189 CD GLN A 72 -1.254 19.970 -3.998 1.00 0.00 C ATOM 1190 OE1 GLN A 72 -0.288 20.586 -4.449 1.00 0.00 O ATOM 1191 NE2 GLN A 72 -2.391 20.568 -3.661 1.00 0.00 N ATOM 0 H GLN A 72 -2.476 16.234 -3.725 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.185 16.314 -2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.466 18.309 -2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.787 18.642 -1.706 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.220 18.101 -4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.939 17.992 -4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.166 20.018 -3.291 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.489 21.577 -3.772 1.00 0.00 H new ATOM 1200 N ARG A 73 -0.254 16.081 0.084 1.00 0.00 N ATOM 1201 CA ARG A 73 -0.279 15.785 1.512 1.00 0.00 C ATOM 1202 C ARG A 73 0.414 16.888 2.307 1.00 0.00 C ATOM 1203 O ARG A 73 1.020 17.794 1.734 1.00 0.00 O ATOM 1204 CB ARG A 73 0.397 14.441 1.788 1.00 0.00 C ATOM 1205 CG ARG A 73 -0.521 13.246 1.592 1.00 0.00 C ATOM 1206 CD ARG A 73 -1.530 13.127 2.723 1.00 0.00 C ATOM 1207 NE ARG A 73 -0.943 12.529 3.919 1.00 0.00 N ATOM 1208 CZ ARG A 73 -1.522 12.555 5.114 1.00 0.00 C ATOM 1209 NH1 ARG A 73 -2.698 13.148 5.272 1.00 0.00 N ATOM 1210 NH2 ARG A 73 -0.925 11.989 6.155 1.00 0.00 N ATOM 0 H ARG A 73 0.681 16.127 -0.321 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.321 15.731 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.261 14.337 1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.772 14.436 2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.047 13.342 0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.074 12.334 1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.920 14.115 2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.375 12.523 2.393 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.038 12.066 3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.160 13.585 4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.140 13.167 6.191 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.020 11.533 6.038 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.371 12.010 7.072 1.00 0.00 H new ATOM 1224 N ARG A 74 0.318 16.805 3.630 1.00 0.00 N ATOM 1225 CA ARG A 74 0.934 17.797 4.504 1.00 0.00 C ATOM 1226 C ARG A 74 2.370 18.083 4.075 1.00 0.00 C ATOM 1227 O ARG A 74 2.723 19.223 3.777 1.00 0.00 O ATOM 1228 CB ARG A 74 0.911 17.313 5.955 1.00 0.00 C ATOM 1229 CG ARG A 74 1.646 18.234 6.916 1.00 0.00 C ATOM 1230 CD ARG A 74 1.037 19.627 6.928 1.00 0.00 C ATOM 1231 NE ARG A 74 1.871 20.583 7.652 1.00 0.00 N ATOM 1232 CZ ARG A 74 2.045 20.556 8.969 1.00 0.00 C ATOM 1233 NH1 ARG A 74 1.447 19.626 9.701 1.00 0.00 N ATOM 1234 NH2 ARG A 74 2.819 21.460 9.556 1.00 0.00 N ATOM 0 H ARG A 74 -0.180 16.062 4.120 1.00 0.00 H new ATOM 0 HA ARG A 74 0.359 18.720 4.426 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.125 17.215 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.356 16.319 6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.614 17.813 7.921 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.696 18.297 6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.898 19.971 5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.049 19.587 7.387 1.00 0.00 H new ATOM 0 HE ARG A 74 2.346 21.311 7.118 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.852 18.929 9.253 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.582 19.607 10.712 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.281 22.177 8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.952 21.438 10.567 1.00 0.00 H new ATOM 1248 N ASN A 75 3.193 17.040 4.046 1.00 0.00 N ATOM 1249 CA ASN A 75 4.591 17.179 3.654 1.00 0.00 C ATOM 1250 C ASN A 75 5.179 15.831 3.249 1.00 0.00 C ATOM 1251 O ASN A 75 4.678 14.779 3.645 1.00 0.00 O ATOM 1252 CB ASN A 75 5.406 17.780 4.801 1.00 0.00 C ATOM 1253 CG ASN A 75 5.606 16.801 5.942 1.00 0.00 C ATOM 1254 OD1 ASN A 75 6.457 15.805 5.725 1.00 0.00 O flip ATOM 1255 ND2 ASN A 75 5.003 16.940 7.007 1.00 0.00 N flip ATOM 0 H ASN A 75 2.916 16.089 4.289 1.00 0.00 H new ATOM 0 HA ASN A 75 4.637 17.848 2.795 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.378 18.099 4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.901 18.671 5.174 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.358 17.721 7.130 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.149 16.274 7.766 1.00 0.00 H new ATOM 1262 N ASP A 76 6.246 15.872 2.458 1.00 0.00 N ATOM 1263 CA ASP A 76 6.904 14.654 1.999 1.00 0.00 C ATOM 1264 C ASP A 76 8.246 14.465 2.700 1.00 0.00 C ATOM 1265 O ASP A 76 9.274 14.995 2.278 1.00 0.00 O ATOM 1266 CB ASP A 76 7.107 14.698 0.484 1.00 0.00 C ATOM 1267 CG ASP A 76 5.836 14.387 -0.280 1.00 0.00 C ATOM 1268 OD1 ASP A 76 4.942 13.733 0.297 1.00 0.00 O ATOM 1269 OD2 ASP A 76 5.734 14.796 -1.456 1.00 0.00 O ATOM 0 H ASP A 76 6.673 16.735 2.122 1.00 0.00 H new ATOM 0 HA ASP A 76 6.263 13.808 2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.467 15.686 0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.880 13.983 0.203 1.00 0.00 H new ATOM 1274 N PRO A 77 8.238 13.693 3.797 1.00 0.00 N ATOM 1275 CA PRO A 77 9.446 13.418 4.580 1.00 0.00 C ATOM 1276 C PRO A 77 10.427 12.518 3.835 1.00 0.00 C ATOM 1277 O PRO A 77 10.163 11.334 3.628 1.00 0.00 O ATOM 1278 CB PRO A 77 8.908 12.707 5.824 1.00 0.00 C ATOM 1279 CG PRO A 77 7.623 12.095 5.385 1.00 0.00 C ATOM 1280 CD PRO A 77 7.048 13.030 4.357 1.00 0.00 C ATOM 0 HA PRO A 77 10.005 14.328 4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.606 11.949 6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.753 13.408 6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.787 11.104 4.962 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.941 11.974 6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.490 12.491 3.591 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.362 13.748 4.806 1.00 0.00 H new ATOM 1288 N SER A 78 11.559 13.088 3.434 1.00 0.00 N ATOM 1289 CA SER A 78 12.578 12.338 2.709 1.00 0.00 C ATOM 1290 C SER A 78 13.654 11.824 3.661 1.00 0.00 C ATOM 1291 O SER A 78 13.821 12.341 4.764 1.00 0.00 O ATOM 1292 CB SER A 78 13.213 13.214 1.628 1.00 0.00 C ATOM 1293 OG SER A 78 14.012 12.441 0.750 1.00 0.00 O ATOM 0 H SER A 78 11.794 14.067 3.599 1.00 0.00 H new ATOM 0 HA SER A 78 12.097 11.482 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.432 13.722 1.062 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.823 13.987 2.094 1.00 0.00 H new ATOM 0 HG SER A 78 14.405 13.024 0.067 1.00 0.00 H new ATOM 1299 N GLY A 79 14.381 10.800 3.224 1.00 0.00 N ATOM 1300 CA GLY A 79 15.432 10.232 4.048 1.00 0.00 C ATOM 1301 C GLY A 79 16.401 9.384 3.248 1.00 0.00 C ATOM 1302 O GLY A 79 16.269 8.162 3.166 1.00 0.00 O ATOM 0 H GLY A 79 14.261 10.354 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.979 11.037 4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.985 9.623 4.834 1.00 0.00 H new ATOM 1306 N PRO A 80 17.401 10.037 2.638 1.00 0.00 N ATOM 1307 CA PRO A 80 18.415 9.354 1.828 1.00 0.00 C ATOM 1308 C PRO A 80 19.356 8.503 2.675 1.00 0.00 C ATOM 1309 O PRO A 80 19.202 8.415 3.893 1.00 0.00 O ATOM 1310 CB PRO A 80 19.180 10.506 1.173 1.00 0.00 C ATOM 1311 CG PRO A 80 18.990 11.661 2.095 1.00 0.00 C ATOM 1312 CD PRO A 80 17.620 11.492 2.692 1.00 0.00 C ATOM 0 HA PRO A 80 17.969 8.661 1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 80 20.236 10.263 1.055 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.790 10.725 0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.755 11.671 2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.068 12.606 1.558 1.00 0.00 H new ATOM 0 HD2 PRO A 80 17.578 11.867 3.715 1.00 0.00 H new ATOM 0 HD3 PRO A 80 16.864 12.033 2.123 1.00 0.00 H new ATOM 1320 N SER A 81 20.330 7.879 2.021 1.00 0.00 N ATOM 1321 CA SER A 81 21.294 7.032 2.714 1.00 0.00 C ATOM 1322 C SER A 81 22.649 7.064 2.012 1.00 0.00 C ATOM 1323 O SER A 81 22.785 7.632 0.929 1.00 0.00 O ATOM 1324 CB SER A 81 20.780 5.593 2.788 1.00 0.00 C ATOM 1325 OG SER A 81 19.566 5.521 3.514 1.00 0.00 O ATOM 0 H SER A 81 20.473 7.944 1.013 1.00 0.00 H new ATOM 0 HA SER A 81 21.419 7.419 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.628 5.206 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.529 4.960 3.263 1.00 0.00 H new ATOM 0 HG SER A 81 19.258 4.591 3.545 1.00 0.00 H new ATOM 1331 N SER A 82 23.648 6.451 2.639 1.00 0.00 N ATOM 1332 CA SER A 82 24.993 6.413 2.078 1.00 0.00 C ATOM 1333 C SER A 82 25.868 5.416 2.832 1.00 0.00 C ATOM 1334 O SER A 82 25.463 4.869 3.857 1.00 0.00 O ATOM 1335 CB SER A 82 25.629 7.804 2.127 1.00 0.00 C ATOM 1336 OG SER A 82 25.215 8.592 1.024 1.00 0.00 O ATOM 0 H SER A 82 23.551 5.974 3.535 1.00 0.00 H new ATOM 0 HA SER A 82 24.917 6.092 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 82 25.353 8.301 3.057 1.00 0.00 H new ATOM 0 HB3 SER A 82 26.715 7.711 2.125 1.00 0.00 H new ATOM 0 HG SER A 82 24.422 8.189 0.613 1.00 0.00 H new ATOM 1342 N GLY A 83 27.071 5.184 2.315 1.00 0.00 N ATOM 1343 CA GLY A 83 27.985 4.253 2.951 1.00 0.00 C ATOM 1344 C GLY A 83 27.576 2.808 2.745 1.00 0.00 C ATOM 1345 O GLY A 83 26.451 2.526 2.333 1.00 0.00 O ATOM 0 H GLY A 83 27.429 5.624 1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 83 28.988 4.404 2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.031 4.466 4.019 1.00 0.00 H new TER 1349 GLY A 83