USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 648 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 25 TYR OH : rot 150:sc= -0.342 USER MOD Set 1.2: A 29 ASN : amide:sc= -1.44! K(o=-1.8!,f=-2.5) USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0229 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 26:sc= 0.0344 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 17 HIS : no HD1:sc=-0.00439 X(o=-0.0044,f=0) USER MOD Single : A 18 GLN : amide:sc= -3.92! C(o=-3.9!,f=-3.3!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -152:sc= -1.04 (180deg=-2.33!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.384 X(o=-0.38,f=0.076) USER MOD Single : A 31 ASN : amide:sc= -0.0533 X(o=-0.053,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -64:sc= 0.738 USER MOD Single : A 47 THR OG1 : rot 180:sc=0.000376 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.17! C(o=-2.2!,f=-5.2!) USER MOD Single : A 56 GLN : amide:sc= -1.42 K(o=-1.4,f=-4.6!) USER MOD Single : A 57 ASN : amide:sc= 0.226 X(o=0.23,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0589 K(o=-0.059,f=-1.7!) USER MOD Single : A 69 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.0085) USER MOD Single : A 71 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.6) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.125 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.402 -23.720 -2.827 1.00 0.00 N ATOM 2 CA GLY A 1 -7.026 -22.800 -3.760 1.00 0.00 C ATOM 3 C GLY A 1 -7.841 -23.515 -4.820 1.00 0.00 C ATOM 4 O GLY A 1 -7.506 -24.627 -5.226 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.413 -23.439 -2.671 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.915 -23.698 -1.923 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.430 -24.683 -3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.671 -22.113 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.256 -22.198 -4.242 1.00 0.00 H new ATOM 8 N SER A 2 -8.917 -22.875 -5.268 1.00 0.00 N ATOM 9 CA SER A 2 -9.786 -23.459 -6.283 1.00 0.00 C ATOM 10 C SER A 2 -9.181 -23.296 -7.674 1.00 0.00 C ATOM 11 O SER A 2 -8.476 -22.326 -7.947 1.00 0.00 O ATOM 12 CB SER A 2 -11.170 -22.806 -6.236 1.00 0.00 C ATOM 13 OG SER A 2 -11.921 -23.283 -5.133 1.00 0.00 O ATOM 0 H SER A 2 -9.207 -21.952 -4.944 1.00 0.00 H new ATOM 0 HA SER A 2 -9.887 -24.524 -6.072 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.063 -21.724 -6.166 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.706 -23.014 -7.162 1.00 0.00 H new ATOM 0 HG SER A 2 -12.800 -22.850 -5.124 1.00 0.00 H new ATOM 19 N SER A 3 -9.464 -24.255 -8.551 1.00 0.00 N ATOM 20 CA SER A 3 -8.946 -24.221 -9.913 1.00 0.00 C ATOM 21 C SER A 3 -9.990 -23.668 -10.878 1.00 0.00 C ATOM 22 O SER A 3 -10.834 -24.403 -11.388 1.00 0.00 O ATOM 23 CB SER A 3 -8.521 -25.624 -10.354 1.00 0.00 C ATOM 24 OG SER A 3 -7.316 -26.014 -9.720 1.00 0.00 O ATOM 0 H SER A 3 -10.049 -25.064 -8.342 1.00 0.00 H new ATOM 0 HA SER A 3 -8.077 -23.563 -9.929 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.309 -26.338 -10.115 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.390 -25.644 -11.436 1.00 0.00 H new ATOM 0 HG SER A 3 -7.067 -26.914 -10.017 1.00 0.00 H new ATOM 30 N GLY A 4 -9.925 -22.362 -11.124 1.00 0.00 N ATOM 31 CA GLY A 4 -10.870 -21.729 -12.026 1.00 0.00 C ATOM 32 C GLY A 4 -11.163 -20.293 -11.644 1.00 0.00 C ATOM 33 O GLY A 4 -12.291 -19.959 -11.277 1.00 0.00 O ATOM 0 H GLY A 4 -9.235 -21.732 -10.715 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.474 -21.758 -13.041 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.800 -22.298 -12.030 1.00 0.00 H new ATOM 37 N SER A 5 -10.149 -19.439 -11.729 1.00 0.00 N ATOM 38 CA SER A 5 -10.302 -18.031 -11.384 1.00 0.00 C ATOM 39 C SER A 5 -9.871 -17.138 -12.543 1.00 0.00 C ATOM 40 O SER A 5 -8.759 -17.260 -13.055 1.00 0.00 O ATOM 41 CB SER A 5 -9.482 -17.698 -10.136 1.00 0.00 C ATOM 42 OG SER A 5 -9.835 -18.542 -9.053 1.00 0.00 O ATOM 0 H SER A 5 -9.211 -19.698 -12.034 1.00 0.00 H new ATOM 0 HA SER A 5 -11.356 -17.845 -11.178 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.420 -17.807 -10.355 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.644 -16.657 -9.858 1.00 0.00 H new ATOM 0 HG SER A 5 -9.296 -18.310 -8.268 1.00 0.00 H new ATOM 48 N SER A 6 -10.761 -16.239 -12.950 1.00 0.00 N ATOM 49 CA SER A 6 -10.476 -15.325 -14.051 1.00 0.00 C ATOM 50 C SER A 6 -11.131 -13.968 -13.816 1.00 0.00 C ATOM 51 O SER A 6 -12.150 -13.868 -13.134 1.00 0.00 O ATOM 52 CB SER A 6 -10.967 -15.918 -15.374 1.00 0.00 C ATOM 53 OG SER A 6 -9.974 -16.742 -15.963 1.00 0.00 O ATOM 0 H SER A 6 -11.685 -16.124 -12.534 1.00 0.00 H new ATOM 0 HA SER A 6 -9.396 -15.183 -14.102 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.872 -16.500 -15.202 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.231 -15.114 -16.061 1.00 0.00 H new ATOM 0 HG SER A 6 -9.381 -17.090 -15.265 1.00 0.00 H new ATOM 59 N GLY A 7 -10.537 -12.924 -14.386 1.00 0.00 N ATOM 60 CA GLY A 7 -11.076 -11.586 -14.226 1.00 0.00 C ATOM 61 C GLY A 7 -10.076 -10.628 -13.609 1.00 0.00 C ATOM 62 O GLY A 7 -9.473 -10.927 -12.578 1.00 0.00 O ATOM 0 H GLY A 7 -9.693 -12.981 -14.955 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.388 -11.205 -15.198 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.967 -11.629 -13.600 1.00 0.00 H new ATOM 66 N LYS A 8 -9.898 -9.473 -14.241 1.00 0.00 N ATOM 67 CA LYS A 8 -8.963 -8.468 -13.749 1.00 0.00 C ATOM 68 C LYS A 8 -9.627 -7.096 -13.680 1.00 0.00 C ATOM 69 O LYS A 8 -9.537 -6.402 -12.668 1.00 0.00 O ATOM 70 CB LYS A 8 -7.728 -8.404 -14.650 1.00 0.00 C ATOM 71 CG LYS A 8 -8.051 -8.105 -16.105 1.00 0.00 C ATOM 72 CD LYS A 8 -6.858 -8.370 -17.007 1.00 0.00 C ATOM 73 CE LYS A 8 -5.785 -7.307 -16.838 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.563 -7.620 -17.630 1.00 0.00 N ATOM 0 H LYS A 8 -10.389 -9.210 -15.095 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.656 -8.755 -12.743 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.052 -7.637 -14.272 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.197 -9.354 -14.592 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.893 -8.718 -16.425 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.359 -7.064 -16.204 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.439 -9.350 -16.780 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.185 -8.396 -18.046 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.180 -6.340 -17.148 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.522 -7.221 -15.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.856 -6.871 -17.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.171 -8.531 -17.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.808 -7.677 -18.639 1.00 0.00 H new ATOM 88 N ARG A 9 -10.294 -6.711 -14.764 1.00 0.00 N ATOM 89 CA ARG A 9 -10.973 -5.423 -14.826 1.00 0.00 C ATOM 90 C ARG A 9 -11.720 -5.138 -13.526 1.00 0.00 C ATOM 91 O ARG A 9 -11.515 -4.102 -12.895 1.00 0.00 O ATOM 92 CB ARG A 9 -11.948 -5.393 -16.004 1.00 0.00 C ATOM 93 CG ARG A 9 -12.475 -4.003 -16.324 1.00 0.00 C ATOM 94 CD ARG A 9 -11.586 -3.289 -17.330 1.00 0.00 C ATOM 95 NE ARG A 9 -11.482 -4.026 -18.587 1.00 0.00 N ATOM 96 CZ ARG A 9 -10.493 -3.855 -19.459 1.00 0.00 C ATOM 97 NH1 ARG A 9 -9.530 -2.978 -19.211 1.00 0.00 N ATOM 98 NH2 ARG A 9 -10.467 -4.563 -20.581 1.00 0.00 N ATOM 0 H ARG A 9 -10.378 -7.273 -15.611 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.218 -4.649 -14.968 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.451 -5.796 -16.886 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.790 -6.050 -15.785 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.487 -4.079 -16.721 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.535 -3.415 -15.408 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.986 -2.294 -17.525 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.591 -3.155 -16.905 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.207 -4.709 -18.808 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.547 -2.432 -18.349 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.773 -2.849 -19.882 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.206 -5.239 -20.775 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.708 -4.431 -21.250 1.00 0.00 H new ATOM 112 N MET A 10 -12.587 -6.066 -13.133 1.00 0.00 N ATOM 113 CA MET A 10 -13.364 -5.915 -11.908 1.00 0.00 C ATOM 114 C MET A 10 -12.447 -5.810 -10.693 1.00 0.00 C ATOM 115 O MET A 10 -11.595 -6.670 -10.471 1.00 0.00 O ATOM 116 CB MET A 10 -14.323 -7.095 -11.738 1.00 0.00 C ATOM 117 CG MET A 10 -15.627 -6.932 -12.501 1.00 0.00 C ATOM 118 SD MET A 10 -15.380 -6.801 -14.282 1.00 0.00 S ATOM 119 CE MET A 10 -16.921 -6.038 -14.783 1.00 0.00 C ATOM 0 H MET A 10 -12.769 -6.930 -13.645 1.00 0.00 H new ATOM 0 HA MET A 10 -13.943 -4.995 -11.985 1.00 0.00 H new ATOM 0 HB2 MET A 10 -13.827 -8.007 -12.072 1.00 0.00 H new ATOM 0 HB3 MET A 10 -14.545 -7.223 -10.678 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.275 -7.782 -12.290 1.00 0.00 H new ATOM 0 HG3 MET A 10 -16.143 -6.041 -12.144 1.00 0.00 H new ATOM 0 HE1 MET A 10 -16.920 -5.891 -15.863 1.00 0.00 H new ATOM 0 HE2 MET A 10 -17.754 -6.684 -14.505 1.00 0.00 H new ATOM 0 HE3 MET A 10 -17.028 -5.074 -14.286 1.00 0.00 H new ATOM 129 N ARG A 11 -12.629 -4.752 -9.910 1.00 0.00 N ATOM 130 CA ARG A 11 -11.819 -4.534 -8.718 1.00 0.00 C ATOM 131 C ARG A 11 -12.632 -4.787 -7.452 1.00 0.00 C ATOM 132 O ARG A 11 -13.860 -4.869 -7.496 1.00 0.00 O ATOM 133 CB ARG A 11 -11.265 -3.108 -8.705 1.00 0.00 C ATOM 134 CG ARG A 11 -10.059 -2.914 -9.609 1.00 0.00 C ATOM 135 CD ARG A 11 -8.836 -3.640 -9.069 1.00 0.00 C ATOM 136 NE ARG A 11 -7.616 -3.252 -9.772 1.00 0.00 N ATOM 137 CZ ARG A 11 -6.409 -3.707 -9.453 1.00 0.00 C ATOM 138 NH1 ARG A 11 -6.261 -4.561 -8.450 1.00 0.00 N ATOM 139 NH2 ARG A 11 -5.345 -3.308 -10.140 1.00 0.00 N ATOM 0 H ARG A 11 -13.331 -4.032 -10.080 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.988 -5.239 -8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.052 -2.419 -9.011 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.989 -2.844 -7.684 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.290 -3.281 -10.609 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.840 -1.850 -9.703 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.726 -3.425 -8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.982 -4.716 -9.163 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.695 -2.597 -10.550 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.075 -4.871 -7.920 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.333 -4.908 -8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.454 -2.652 -10.913 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.419 -3.658 -9.894 1.00 0.00 H new ATOM 153 N THR A 12 -11.939 -4.913 -6.325 1.00 0.00 N ATOM 154 CA THR A 12 -12.597 -5.158 -5.047 1.00 0.00 C ATOM 155 C THR A 12 -12.696 -3.879 -4.225 1.00 0.00 C ATOM 156 O THR A 12 -11.808 -3.028 -4.272 1.00 0.00 O ATOM 157 CB THR A 12 -11.848 -6.226 -4.227 1.00 0.00 C ATOM 158 OG1 THR A 12 -12.536 -6.469 -2.995 1.00 0.00 O ATOM 159 CG2 THR A 12 -10.421 -5.783 -3.937 1.00 0.00 C ATOM 0 H THR A 12 -10.922 -4.850 -6.271 1.00 0.00 H new ATOM 0 HA THR A 12 -13.600 -5.520 -5.272 1.00 0.00 H new ATOM 0 HB THR A 12 -11.815 -7.145 -4.812 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.055 -7.150 -2.480 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.912 -6.553 -3.357 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.891 -5.626 -4.876 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.437 -4.852 -3.370 1.00 0.00 H new ATOM 167 N SER A 13 -13.783 -3.749 -3.471 1.00 0.00 N ATOM 168 CA SER A 13 -14.000 -2.571 -2.640 1.00 0.00 C ATOM 169 C SER A 13 -13.486 -2.803 -1.223 1.00 0.00 C ATOM 170 O SER A 13 -14.128 -3.479 -0.419 1.00 0.00 O ATOM 171 CB SER A 13 -15.487 -2.214 -2.603 1.00 0.00 C ATOM 172 OG SER A 13 -15.945 -1.798 -3.878 1.00 0.00 O ATOM 0 H SER A 13 -14.527 -4.445 -3.419 1.00 0.00 H new ATOM 0 HA SER A 13 -13.445 -1.741 -3.078 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.063 -3.078 -2.270 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.655 -1.419 -1.876 1.00 0.00 H new ATOM 0 HG SER A 13 -16.898 -1.577 -3.827 1.00 0.00 H new ATOM 178 N PHE A 14 -12.321 -2.237 -0.924 1.00 0.00 N ATOM 179 CA PHE A 14 -11.718 -2.382 0.397 1.00 0.00 C ATOM 180 C PHE A 14 -12.483 -1.571 1.437 1.00 0.00 C ATOM 181 O PHE A 14 -13.008 -0.497 1.141 1.00 0.00 O ATOM 182 CB PHE A 14 -10.253 -1.939 0.363 1.00 0.00 C ATOM 183 CG PHE A 14 -9.468 -2.548 -0.763 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.318 -3.922 -0.856 1.00 0.00 C ATOM 185 CD2 PHE A 14 -8.878 -1.747 -1.727 1.00 0.00 C ATOM 186 CE1 PHE A 14 -8.596 -4.487 -1.891 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.156 -2.305 -2.765 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.014 -3.677 -2.846 1.00 0.00 C ATOM 0 H PHE A 14 -11.776 -1.674 -1.577 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.766 -3.434 0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.212 -0.853 0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.780 -2.203 1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.771 -4.560 -0.111 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.983 -0.674 -1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.487 -5.560 -1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.703 -1.670 -3.512 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.449 -4.115 -3.655 1.00 0.00 H new ATOM 198 N LYS A 15 -12.542 -2.090 2.658 1.00 0.00 N ATOM 199 CA LYS A 15 -13.243 -1.416 3.745 1.00 0.00 C ATOM 200 C LYS A 15 -12.337 -0.395 4.424 1.00 0.00 C ATOM 201 O LYS A 15 -11.177 -0.228 4.043 1.00 0.00 O ATOM 202 CB LYS A 15 -13.738 -2.437 4.772 1.00 0.00 C ATOM 203 CG LYS A 15 -14.375 -3.667 4.148 1.00 0.00 C ATOM 204 CD LYS A 15 -15.446 -4.257 5.048 1.00 0.00 C ATOM 205 CE LYS A 15 -14.867 -5.289 6.003 1.00 0.00 C ATOM 206 NZ LYS A 15 -15.923 -6.164 6.582 1.00 0.00 N ATOM 0 H LYS A 15 -12.112 -2.977 2.921 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.100 -0.892 3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.900 -2.749 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.463 -1.957 5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.813 -3.403 3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.608 -4.417 3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.923 -3.460 5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.221 -4.720 4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.136 -5.902 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.335 -4.781 6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.487 -6.853 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.607 -5.582 7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.414 -6.669 5.817 1.00 0.00 H new ATOM 220 N HIS A 16 -12.872 0.286 5.432 1.00 0.00 N ATOM 221 CA HIS A 16 -12.110 1.290 6.167 1.00 0.00 C ATOM 222 C HIS A 16 -11.389 0.663 7.356 1.00 0.00 C ATOM 223 O HIS A 16 -10.458 1.248 7.911 1.00 0.00 O ATOM 224 CB HIS A 16 -13.033 2.410 6.648 1.00 0.00 C ATOM 225 CG HIS A 16 -13.688 3.165 5.533 1.00 0.00 C ATOM 226 ND1 HIS A 16 -15.007 3.571 5.572 1.00 0.00 N ATOM 227 CD2 HIS A 16 -13.201 3.590 4.344 1.00 0.00 C ATOM 228 CE1 HIS A 16 -15.301 4.210 4.454 1.00 0.00 C ATOM 229 NE2 HIS A 16 -14.223 4.237 3.692 1.00 0.00 N ATOM 0 H HIS A 16 -13.830 0.161 5.759 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.363 1.709 5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.804 1.984 7.290 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.458 3.106 7.259 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.196 3.447 3.976 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -16.261 4.638 4.205 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.159 4.668 2.770 1.00 0.00 H new ATOM 238 N HIS A 17 -11.827 -0.531 7.745 1.00 0.00 N ATOM 239 CA HIS A 17 -11.224 -1.237 8.870 1.00 0.00 C ATOM 240 C HIS A 17 -9.965 -1.980 8.432 1.00 0.00 C ATOM 241 O HIS A 17 -8.879 -1.744 8.962 1.00 0.00 O ATOM 242 CB HIS A 17 -12.225 -2.220 9.478 1.00 0.00 C ATOM 243 CG HIS A 17 -13.545 -1.599 9.815 1.00 0.00 C ATOM 244 ND1 HIS A 17 -13.852 -1.118 11.070 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.641 -1.380 9.052 1.00 0.00 C ATOM 246 CE1 HIS A 17 -15.080 -0.631 11.064 1.00 0.00 C ATOM 247 NE2 HIS A 17 -15.581 -0.778 9.851 1.00 0.00 N ATOM 0 H HIS A 17 -12.597 -1.029 7.298 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.947 -0.500 9.624 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.387 -3.040 8.779 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.795 -2.652 10.382 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.755 -1.632 8.008 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.588 -0.188 11.908 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.514 -0.491 9.556 1.00 0.00 H new ATOM 256 N GLN A 18 -10.120 -2.877 7.464 1.00 0.00 N ATOM 257 CA GLN A 18 -8.995 -3.655 6.958 1.00 0.00 C ATOM 258 C GLN A 18 -7.888 -2.741 6.444 1.00 0.00 C ATOM 259 O GLN A 18 -6.717 -2.909 6.790 1.00 0.00 O ATOM 260 CB GLN A 18 -9.457 -4.593 5.842 1.00 0.00 C ATOM 261 CG GLN A 18 -10.637 -4.057 5.046 1.00 0.00 C ATOM 262 CD GLN A 18 -10.671 -4.584 3.626 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.360 -5.561 3.330 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.926 -3.939 2.736 1.00 0.00 N ATOM 0 H GLN A 18 -11.012 -3.083 7.015 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.598 -4.249 7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.624 -4.774 5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.729 -5.555 6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.564 -4.327 5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.591 -2.968 5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.370 -3.134 3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.910 -4.249 1.764 1.00 0.00 H new ATOM 273 N LEU A 19 -8.265 -1.772 5.616 1.00 0.00 N ATOM 274 CA LEU A 19 -7.304 -0.830 5.053 1.00 0.00 C ATOM 275 C LEU A 19 -6.519 -0.129 6.156 1.00 0.00 C ATOM 276 O LEU A 19 -5.298 0.014 6.069 1.00 0.00 O ATOM 277 CB LEU A 19 -8.023 0.205 4.185 1.00 0.00 C ATOM 278 CG LEU A 19 -8.205 -0.163 2.713 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.729 1.028 1.926 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.894 -0.660 2.121 1.00 0.00 C ATOM 0 H LEU A 19 -9.229 -1.618 5.320 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.603 -1.390 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.007 0.391 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.469 1.142 4.239 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.938 -0.967 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.852 0.747 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.691 1.339 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.020 1.853 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.043 -0.917 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.140 0.123 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.559 -1.542 2.667 1.00 0.00 H new ATOM 292 N ARG A 20 -7.225 0.305 7.194 1.00 0.00 N ATOM 293 CA ARG A 20 -6.594 0.990 8.315 1.00 0.00 C ATOM 294 C ARG A 20 -5.362 0.228 8.795 1.00 0.00 C ATOM 295 O ARG A 20 -4.329 0.823 9.101 1.00 0.00 O ATOM 296 CB ARG A 20 -7.587 1.151 9.468 1.00 0.00 C ATOM 297 CG ARG A 20 -6.935 1.535 10.786 1.00 0.00 C ATOM 298 CD ARG A 20 -7.914 2.247 11.706 1.00 0.00 C ATOM 299 NE ARG A 20 -7.424 2.316 13.079 1.00 0.00 N ATOM 300 CZ ARG A 20 -7.502 1.307 13.940 1.00 0.00 C ATOM 301 NH1 ARG A 20 -8.048 0.157 13.569 1.00 0.00 N ATOM 302 NH2 ARG A 20 -7.033 1.446 15.173 1.00 0.00 N ATOM 0 H ARG A 20 -8.235 0.194 7.282 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.280 1.977 7.974 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.321 1.911 9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.131 0.216 9.601 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.555 0.640 11.280 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.078 2.181 10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.093 3.256 11.334 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.872 1.727 11.689 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.998 3.187 13.395 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.409 0.046 12.621 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.107 -0.617 14.231 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.611 2.329 15.462 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.094 0.670 15.832 1.00 0.00 H new ATOM 316 N THR A 21 -5.479 -1.095 8.858 1.00 0.00 N ATOM 317 CA THR A 21 -4.376 -1.940 9.301 1.00 0.00 C ATOM 318 C THR A 21 -3.224 -1.909 8.304 1.00 0.00 C ATOM 319 O THR A 21 -2.056 -1.928 8.689 1.00 0.00 O ATOM 320 CB THR A 21 -4.830 -3.398 9.500 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.777 -3.475 10.572 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.641 -4.298 9.801 1.00 0.00 C ATOM 0 H THR A 21 -6.326 -1.605 8.608 1.00 0.00 H new ATOM 0 HA THR A 21 -4.036 -1.540 10.256 1.00 0.00 H new ATOM 0 HB THR A 21 -5.299 -3.739 8.577 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.062 -4.405 10.691 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.986 -5.323 9.938 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.936 -4.260 8.970 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.148 -3.957 10.711 1.00 0.00 H new ATOM 330 N MET A 22 -3.562 -1.862 7.019 1.00 0.00 N ATOM 331 CA MET A 22 -2.554 -1.827 5.966 1.00 0.00 C ATOM 332 C MET A 22 -1.900 -0.452 5.884 1.00 0.00 C ATOM 333 O MET A 22 -0.702 -0.307 6.126 1.00 0.00 O ATOM 334 CB MET A 22 -3.183 -2.186 4.617 1.00 0.00 C ATOM 335 CG MET A 22 -3.650 -3.630 4.530 1.00 0.00 C ATOM 336 SD MET A 22 -3.587 -4.280 2.850 1.00 0.00 S ATOM 337 CE MET A 22 -5.101 -3.609 2.170 1.00 0.00 C ATOM 0 H MET A 22 -4.525 -1.847 6.683 1.00 0.00 H new ATOM 0 HA MET A 22 -1.786 -2.561 6.209 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.031 -1.527 4.434 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.457 -1.999 3.826 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.029 -4.248 5.178 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.671 -3.701 4.905 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.467 -4.265 1.381 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.851 -3.534 2.957 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.907 -2.619 1.758 1.00 0.00 H new ATOM 347 N LYS A 23 -2.695 0.557 5.542 1.00 0.00 N ATOM 348 CA LYS A 23 -2.194 1.922 5.430 1.00 0.00 C ATOM 349 C LYS A 23 -1.182 2.223 6.531 1.00 0.00 C ATOM 350 O LYS A 23 -0.042 2.595 6.256 1.00 0.00 O ATOM 351 CB LYS A 23 -3.352 2.920 5.499 1.00 0.00 C ATOM 352 CG LYS A 23 -4.366 2.754 4.381 1.00 0.00 C ATOM 353 CD LYS A 23 -5.503 3.754 4.506 1.00 0.00 C ATOM 354 CE LYS A 23 -6.075 4.120 3.145 1.00 0.00 C ATOM 355 NZ LYS A 23 -7.170 5.124 3.256 1.00 0.00 N ATOM 0 H LYS A 23 -3.689 0.455 5.338 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.695 2.021 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.859 2.809 6.457 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.950 3.933 5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.872 2.883 3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.768 1.741 4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.291 3.335 5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.144 4.654 5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.281 4.517 2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.454 3.222 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.534 5.347 2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.939 4.736 3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.803 5.990 3.699 1.00 0.00 H new ATOM 369 N SER A 24 -1.608 2.058 7.780 1.00 0.00 N ATOM 370 CA SER A 24 -0.739 2.314 8.924 1.00 0.00 C ATOM 371 C SER A 24 0.622 1.653 8.731 1.00 0.00 C ATOM 372 O SER A 24 1.661 2.257 9.000 1.00 0.00 O ATOM 373 CB SER A 24 -1.390 1.802 10.210 1.00 0.00 C ATOM 374 OG SER A 24 -0.600 2.118 11.342 1.00 0.00 O ATOM 0 H SER A 24 -2.548 1.749 8.025 1.00 0.00 H new ATOM 0 HA SER A 24 -0.592 3.391 9.004 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.381 2.242 10.320 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.526 0.722 10.148 1.00 0.00 H new ATOM 0 HG SER A 24 -1.038 1.781 12.151 1.00 0.00 H new ATOM 380 N TYR A 25 0.608 0.411 8.263 1.00 0.00 N ATOM 381 CA TYR A 25 1.840 -0.335 8.035 1.00 0.00 C ATOM 382 C TYR A 25 2.707 0.353 6.985 1.00 0.00 C ATOM 383 O TYR A 25 3.930 0.423 7.121 1.00 0.00 O ATOM 384 CB TYR A 25 1.523 -1.764 7.593 1.00 0.00 C ATOM 385 CG TYR A 25 2.753 -2.610 7.350 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.564 -2.389 6.244 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.103 -3.629 8.227 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.688 -3.160 6.018 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.226 -4.404 8.009 1.00 0.00 C ATOM 390 CZ TYR A 25 5.015 -4.166 6.903 1.00 0.00 C ATOM 391 OH TYR A 25 6.135 -4.935 6.682 1.00 0.00 O ATOM 0 H TYR A 25 -0.244 -0.102 8.034 1.00 0.00 H new ATOM 0 HA TYR A 25 2.393 -0.367 8.974 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.908 -2.243 8.355 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.930 -1.730 6.679 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.312 -1.601 5.549 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.487 -3.819 9.094 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.307 -2.976 5.153 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.485 -5.192 8.701 1.00 0.00 H new ATOM 0 HH TYR A 25 6.500 -5.235 7.540 1.00 0.00 H new ATOM 401 N PHE A 26 2.066 0.861 5.938 1.00 0.00 N ATOM 402 CA PHE A 26 2.776 1.545 4.863 1.00 0.00 C ATOM 403 C PHE A 26 3.830 2.495 5.426 1.00 0.00 C ATOM 404 O PHE A 26 4.905 2.657 4.850 1.00 0.00 O ATOM 405 CB PHE A 26 1.792 2.319 3.984 1.00 0.00 C ATOM 406 CG PHE A 26 2.434 2.951 2.781 1.00 0.00 C ATOM 407 CD1 PHE A 26 3.111 2.177 1.854 1.00 0.00 C ATOM 408 CD2 PHE A 26 2.357 4.320 2.579 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.701 2.756 0.745 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.945 4.904 1.473 1.00 0.00 C ATOM 411 CZ PHE A 26 3.619 4.122 0.555 1.00 0.00 C ATOM 0 H PHE A 26 1.055 0.812 5.811 1.00 0.00 H new ATOM 0 HA PHE A 26 3.278 0.792 4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.004 1.643 3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.316 3.096 4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.179 1.109 1.998 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.832 4.937 3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.225 2.141 0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.878 5.972 1.326 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.081 4.577 -0.309 1.00 0.00 H new ATOM 421 N ALA A 27 3.512 3.120 6.555 1.00 0.00 N ATOM 422 CA ALA A 27 4.430 4.052 7.196 1.00 0.00 C ATOM 423 C ALA A 27 5.576 3.312 7.879 1.00 0.00 C ATOM 424 O ALA A 27 6.719 3.769 7.860 1.00 0.00 O ATOM 425 CB ALA A 27 3.686 4.919 8.202 1.00 0.00 C ATOM 0 H ALA A 27 2.625 2.997 7.044 1.00 0.00 H new ATOM 0 HA ALA A 27 4.855 4.693 6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.385 5.611 8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.907 5.483 7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.233 4.285 8.964 1.00 0.00 H new ATOM 431 N ILE A 28 5.262 2.170 8.479 1.00 0.00 N ATOM 432 CA ILE A 28 6.266 1.368 9.167 1.00 0.00 C ATOM 433 C ILE A 28 7.265 0.774 8.180 1.00 0.00 C ATOM 434 O ILE A 28 8.476 0.918 8.345 1.00 0.00 O ATOM 435 CB ILE A 28 5.619 0.227 9.974 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.550 0.783 10.918 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.678 -0.535 10.756 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.435 -0.196 11.210 1.00 0.00 C ATOM 0 H ILE A 28 4.320 1.779 8.503 1.00 0.00 H new ATOM 0 HA ILE A 28 6.788 2.036 9.852 1.00 0.00 H new ATOM 0 HB ILE A 28 5.141 -0.463 9.279 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.022 1.075 11.856 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.125 1.686 10.481 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.205 -1.338 11.321 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.407 -0.958 10.065 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.182 0.144 11.443 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.714 0.265 11.885 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.938 -0.469 10.279 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.849 -1.090 11.676 1.00 0.00 H new ATOM 450 N ASN A 29 6.750 0.108 7.153 1.00 0.00 N ATOM 451 CA ASN A 29 7.597 -0.507 6.137 1.00 0.00 C ATOM 452 C ASN A 29 6.962 -0.390 4.755 1.00 0.00 C ATOM 453 O ASN A 29 5.790 -0.721 4.568 1.00 0.00 O ATOM 454 CB ASN A 29 7.845 -1.978 6.474 1.00 0.00 C ATOM 455 CG ASN A 29 8.817 -2.635 5.512 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.612 -1.960 4.857 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.758 -3.959 5.423 1.00 0.00 N ATOM 0 H ASN A 29 5.749 -0.020 7.001 1.00 0.00 H new ATOM 0 HA ASN A 29 8.550 0.022 6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.235 -2.055 7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.898 -2.517 6.454 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.387 -4.456 4.793 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.083 -4.478 5.985 1.00 0.00 H new ATOM 464 N HIS A 30 7.742 0.082 3.789 1.00 0.00 N ATOM 465 CA HIS A 30 7.257 0.242 2.422 1.00 0.00 C ATOM 466 C HIS A 30 7.307 -1.084 1.669 1.00 0.00 C ATOM 467 O HIS A 30 6.359 -1.454 0.980 1.00 0.00 O ATOM 468 CB HIS A 30 8.086 1.292 1.683 1.00 0.00 C ATOM 469 CG HIS A 30 8.118 2.622 2.372 1.00 0.00 C ATOM 470 ND1 HIS A 30 9.269 3.370 2.511 1.00 0.00 N ATOM 471 CD2 HIS A 30 7.132 3.338 2.962 1.00 0.00 C ATOM 472 CE1 HIS A 30 8.989 4.488 3.157 1.00 0.00 C ATOM 473 NE2 HIS A 30 7.700 4.494 3.442 1.00 0.00 N ATOM 0 H HIS A 30 8.713 0.361 3.927 1.00 0.00 H new ATOM 0 HA HIS A 30 6.220 0.575 2.468 1.00 0.00 H new ATOM 0 HB2 HIS A 30 9.106 0.925 1.571 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.682 1.422 0.679 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.093 3.054 3.041 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.695 5.265 3.409 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.206 5.236 3.938 1.00 0.00 H new ATOM 482 N ASN A 31 8.422 -1.796 1.806 1.00 0.00 N ATOM 483 CA ASN A 31 8.597 -3.080 1.138 1.00 0.00 C ATOM 484 C ASN A 31 8.515 -4.229 2.139 1.00 0.00 C ATOM 485 O ASN A 31 9.527 -4.765 2.590 1.00 0.00 O ATOM 486 CB ASN A 31 9.941 -3.120 0.408 1.00 0.00 C ATOM 487 CG ASN A 31 10.075 -2.010 -0.617 1.00 0.00 C ATOM 488 OD1 ASN A 31 11.028 -1.230 -0.583 1.00 0.00 O ATOM 489 ND2 ASN A 31 9.118 -1.932 -1.534 1.00 0.00 N ATOM 0 H ASN A 31 9.218 -1.505 2.374 1.00 0.00 H new ATOM 0 HA ASN A 31 7.793 -3.196 0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.749 -3.039 1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.054 -4.084 -0.088 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.154 -1.205 -2.248 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.347 -2.599 -1.524 1.00 0.00 H new ATOM 496 N PRO A 32 7.281 -4.618 2.492 1.00 0.00 N ATOM 497 CA PRO A 32 7.038 -5.708 3.442 1.00 0.00 C ATOM 498 C PRO A 32 7.409 -7.072 2.867 1.00 0.00 C ATOM 499 O PRO A 32 7.250 -7.316 1.671 1.00 0.00 O ATOM 500 CB PRO A 32 5.530 -5.628 3.694 1.00 0.00 C ATOM 501 CG PRO A 32 4.974 -4.983 2.471 1.00 0.00 C ATOM 502 CD PRO A 32 6.029 -4.025 1.993 1.00 0.00 C ATOM 0 HA PRO A 32 7.642 -5.605 4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.102 -6.618 3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.308 -5.042 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.747 -5.726 1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.044 -4.460 2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.031 -3.939 0.906 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.872 -3.023 2.392 1.00 0.00 H new ATOM 510 N ASP A 33 7.904 -7.955 3.727 1.00 0.00 N ATOM 511 CA ASP A 33 8.296 -9.295 3.304 1.00 0.00 C ATOM 512 C ASP A 33 7.131 -10.270 3.437 1.00 0.00 C ATOM 513 O ASP A 33 6.138 -9.980 4.104 1.00 0.00 O ATOM 514 CB ASP A 33 9.485 -9.786 4.132 1.00 0.00 C ATOM 515 CG ASP A 33 10.184 -10.971 3.495 1.00 0.00 C ATOM 516 OD1 ASP A 33 10.082 -11.127 2.261 1.00 0.00 O ATOM 517 OD2 ASP A 33 10.833 -11.743 4.232 1.00 0.00 O ATOM 0 H ASP A 33 8.043 -7.768 4.720 1.00 0.00 H new ATOM 0 HA ASP A 33 8.588 -9.247 2.255 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.198 -8.971 4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.140 -10.064 5.128 1.00 0.00 H new ATOM 522 N ALA A 34 7.258 -11.428 2.797 1.00 0.00 N ATOM 523 CA ALA A 34 6.216 -12.446 2.843 1.00 0.00 C ATOM 524 C ALA A 34 5.712 -12.648 4.268 1.00 0.00 C ATOM 525 O ALA A 34 4.516 -12.832 4.494 1.00 0.00 O ATOM 526 CB ALA A 34 6.734 -13.757 2.273 1.00 0.00 C ATOM 0 H ALA A 34 8.073 -11.684 2.240 1.00 0.00 H new ATOM 0 HA ALA A 34 5.379 -12.104 2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.945 -14.508 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.040 -13.608 1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.588 -14.096 2.859 1.00 0.00 H new ATOM 532 N LYS A 35 6.630 -12.616 5.227 1.00 0.00 N ATOM 533 CA LYS A 35 6.280 -12.795 6.631 1.00 0.00 C ATOM 534 C LYS A 35 5.253 -11.758 7.072 1.00 0.00 C ATOM 535 O LYS A 35 4.321 -12.069 7.815 1.00 0.00 O ATOM 536 CB LYS A 35 7.530 -12.695 7.507 1.00 0.00 C ATOM 537 CG LYS A 35 7.392 -13.399 8.846 1.00 0.00 C ATOM 538 CD LYS A 35 6.546 -12.592 9.816 1.00 0.00 C ATOM 539 CE LYS A 35 6.941 -12.862 11.259 1.00 0.00 C ATOM 540 NZ LYS A 35 8.102 -12.029 11.681 1.00 0.00 N ATOM 0 H LYS A 35 7.625 -12.467 5.057 1.00 0.00 H new ATOM 0 HA LYS A 35 5.842 -13.786 6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.376 -13.120 6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.759 -11.643 7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.941 -14.380 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.380 -13.564 9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.657 -11.529 9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.494 -12.838 9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.092 -12.659 11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.189 -13.917 11.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.341 -12.242 12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.920 -12.240 11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.857 -11.022 11.593 1.00 0.00 H new ATOM 554 N ASP A 36 5.427 -10.525 6.608 1.00 0.00 N ATOM 555 CA ASP A 36 4.513 -9.443 6.953 1.00 0.00 C ATOM 556 C ASP A 36 3.265 -9.484 6.077 1.00 0.00 C ATOM 557 O ASP A 36 2.219 -8.946 6.442 1.00 0.00 O ATOM 558 CB ASP A 36 5.212 -8.090 6.803 1.00 0.00 C ATOM 559 CG ASP A 36 6.459 -7.984 7.658 1.00 0.00 C ATOM 560 OD1 ASP A 36 7.537 -8.409 7.192 1.00 0.00 O ATOM 561 OD2 ASP A 36 6.358 -7.476 8.794 1.00 0.00 O ATOM 0 H ASP A 36 6.192 -10.250 5.992 1.00 0.00 H new ATOM 0 HA ASP A 36 4.210 -9.574 7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.478 -7.936 5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.519 -7.294 7.076 1.00 0.00 H new ATOM 566 N LEU A 37 3.383 -10.125 4.919 1.00 0.00 N ATOM 567 CA LEU A 37 2.265 -10.237 3.990 1.00 0.00 C ATOM 568 C LEU A 37 1.240 -11.251 4.489 1.00 0.00 C ATOM 569 O LEU A 37 0.039 -11.101 4.262 1.00 0.00 O ATOM 570 CB LEU A 37 2.767 -10.643 2.603 1.00 0.00 C ATOM 571 CG LEU A 37 3.150 -9.497 1.665 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.706 -10.042 0.359 1.00 0.00 C ATOM 573 CD2 LEU A 37 1.949 -8.599 1.404 1.00 0.00 C ATOM 0 H LEU A 37 4.242 -10.575 4.602 1.00 0.00 H new ATOM 0 HA LEU A 37 1.782 -9.262 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.636 -11.289 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.993 -11.239 2.119 1.00 0.00 H new ATOM 0 HG LEU A 37 3.926 -8.901 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.973 -9.213 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.592 -10.643 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.952 -10.661 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.239 -7.789 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.152 -9.182 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.595 -8.182 2.347 1.00 0.00 H new ATOM 585 N LYS A 38 1.722 -12.283 5.174 1.00 0.00 N ATOM 586 CA LYS A 38 0.849 -13.321 5.709 1.00 0.00 C ATOM 587 C LYS A 38 0.161 -12.848 6.986 1.00 0.00 C ATOM 588 O LYS A 38 -0.964 -13.250 7.280 1.00 0.00 O ATOM 589 CB LYS A 38 1.650 -14.594 5.991 1.00 0.00 C ATOM 590 CG LYS A 38 2.726 -14.415 7.048 1.00 0.00 C ATOM 591 CD LYS A 38 3.244 -15.752 7.549 1.00 0.00 C ATOM 592 CE LYS A 38 4.316 -15.572 8.613 1.00 0.00 C ATOM 593 NZ LYS A 38 4.556 -16.828 9.377 1.00 0.00 N ATOM 0 H LYS A 38 2.713 -12.423 5.372 1.00 0.00 H new ATOM 0 HA LYS A 38 0.084 -13.538 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.966 -15.380 6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.115 -14.933 5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.551 -13.836 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.324 -13.843 7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.418 -16.333 7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.651 -16.322 6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.245 -15.250 8.142 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.016 -14.781 9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.293 -16.664 10.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.676 -17.122 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.867 -17.577 8.725 1.00 0.00 H new ATOM 607 N GLN A 39 0.845 -11.992 7.738 1.00 0.00 N ATOM 608 CA GLN A 39 0.298 -11.464 8.983 1.00 0.00 C ATOM 609 C GLN A 39 -0.862 -10.513 8.707 1.00 0.00 C ATOM 610 O GLN A 39 -1.867 -10.520 9.419 1.00 0.00 O ATOM 611 CB GLN A 39 1.387 -10.741 9.777 1.00 0.00 C ATOM 612 CG GLN A 39 2.390 -11.681 10.428 1.00 0.00 C ATOM 613 CD GLN A 39 3.253 -10.987 11.463 1.00 0.00 C ATOM 614 OE1 GLN A 39 3.828 -9.931 11.203 1.00 0.00 O ATOM 615 NE2 GLN A 39 3.348 -11.580 12.649 1.00 0.00 N ATOM 0 H GLN A 39 1.778 -11.649 7.508 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.075 -12.302 9.571 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.918 -10.060 9.112 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.918 -10.132 10.550 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.856 -12.506 10.900 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.029 -12.114 9.658 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.854 -12.456 12.822 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.915 -11.159 13.386 1.00 0.00 H new ATOM 624 N LEU A 40 -0.717 -9.694 7.671 1.00 0.00 N ATOM 625 CA LEU A 40 -1.752 -8.736 7.301 1.00 0.00 C ATOM 626 C LEU A 40 -2.958 -9.445 6.693 1.00 0.00 C ATOM 627 O LEU A 40 -4.104 -9.102 6.983 1.00 0.00 O ATOM 628 CB LEU A 40 -1.196 -7.711 6.311 1.00 0.00 C ATOM 629 CG LEU A 40 -0.300 -6.624 6.903 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.534 -5.966 5.814 1.00 0.00 C ATOM 631 CD2 LEU A 40 -1.135 -5.585 7.639 1.00 0.00 C ATOM 0 H LEU A 40 0.108 -9.675 7.072 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.075 -8.220 8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.630 -8.244 5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.035 -7.229 5.809 1.00 0.00 H new ATOM 0 HG LEU A 40 0.377 -7.090 7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.165 -5.195 6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.161 -6.716 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.126 -5.515 5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.480 -4.819 8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.837 -5.124 6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.686 -6.067 8.446 1.00 0.00 H new ATOM 643 N ALA A 41 -2.691 -10.437 5.851 1.00 0.00 N ATOM 644 CA ALA A 41 -3.754 -11.198 5.205 1.00 0.00 C ATOM 645 C ALA A 41 -4.829 -11.602 6.210 1.00 0.00 C ATOM 646 O ALA A 41 -5.981 -11.827 5.842 1.00 0.00 O ATOM 647 CB ALA A 41 -3.181 -12.430 4.520 1.00 0.00 C ATOM 0 H ALA A 41 -1.748 -10.733 5.600 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.217 -10.560 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.986 -12.988 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.455 -12.123 3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.690 -13.063 5.260 1.00 0.00 H new ATOM 653 N GLN A 42 -4.442 -11.690 7.479 1.00 0.00 N ATOM 654 CA GLN A 42 -5.373 -12.068 8.535 1.00 0.00 C ATOM 655 C GLN A 42 -5.942 -10.833 9.227 1.00 0.00 C ATOM 656 O GLN A 42 -7.156 -10.694 9.373 1.00 0.00 O ATOM 657 CB GLN A 42 -4.677 -12.966 9.559 1.00 0.00 C ATOM 658 CG GLN A 42 -4.349 -14.352 9.030 1.00 0.00 C ATOM 659 CD GLN A 42 -5.493 -15.331 9.207 1.00 0.00 C ATOM 660 OE1 GLN A 42 -6.267 -15.574 8.279 1.00 0.00 O ATOM 661 NE2 GLN A 42 -5.607 -15.900 10.401 1.00 0.00 N ATOM 0 H GLN A 42 -3.492 -11.505 7.800 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.196 -12.618 8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.756 -12.484 9.886 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.315 -13.063 10.437 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.096 -14.282 7.972 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.467 -14.733 9.544 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.944 -15.670 11.141 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.358 -16.567 10.578 1.00 0.00 H new ATOM 670 N LYS A 43 -5.056 -9.938 9.650 1.00 0.00 N ATOM 671 CA LYS A 43 -5.469 -8.713 10.326 1.00 0.00 C ATOM 672 C LYS A 43 -6.516 -7.966 9.507 1.00 0.00 C ATOM 673 O LYS A 43 -7.241 -7.119 10.030 1.00 0.00 O ATOM 674 CB LYS A 43 -4.259 -7.810 10.572 1.00 0.00 C ATOM 675 CG LYS A 43 -3.280 -8.367 11.591 1.00 0.00 C ATOM 676 CD LYS A 43 -2.149 -7.392 11.870 1.00 0.00 C ATOM 677 CE LYS A 43 -0.983 -7.602 10.916 1.00 0.00 C ATOM 678 NZ LYS A 43 0.236 -6.872 11.362 1.00 0.00 N ATOM 0 H LYS A 43 -4.047 -10.038 9.537 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.911 -8.987 11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.737 -7.652 9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.607 -6.835 10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.807 -8.589 12.519 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.868 -9.308 11.225 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.517 -6.370 11.777 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.806 -7.515 12.897 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.762 -8.667 10.841 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.264 -7.264 9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.008 -7.040 10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.033 -5.853 11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.520 -7.212 12.303 1.00 0.00 H new ATOM 692 N THR A 44 -6.594 -8.287 8.219 1.00 0.00 N ATOM 693 CA THR A 44 -7.552 -7.647 7.328 1.00 0.00 C ATOM 694 C THR A 44 -8.539 -8.662 6.762 1.00 0.00 C ATOM 695 O THR A 44 -9.722 -8.366 6.596 1.00 0.00 O ATOM 696 CB THR A 44 -6.845 -6.931 6.162 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.165 -7.886 5.340 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.850 -5.903 6.682 1.00 0.00 C ATOM 0 H THR A 44 -6.004 -8.987 7.770 1.00 0.00 H new ATOM 0 HA THR A 44 -8.092 -6.910 7.922 1.00 0.00 H new ATOM 0 HB THR A 44 -7.601 -6.415 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.457 -8.320 5.860 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.363 -5.410 5.841 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.375 -5.161 7.283 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.099 -6.401 7.295 1.00 0.00 H new ATOM 706 N GLY A 45 -8.045 -9.861 6.467 1.00 0.00 N ATOM 707 CA GLY A 45 -8.898 -10.902 5.923 1.00 0.00 C ATOM 708 C GLY A 45 -8.634 -11.158 4.453 1.00 0.00 C ATOM 709 O GLY A 45 -8.974 -12.220 3.930 1.00 0.00 O ATOM 0 H GLY A 45 -7.069 -10.130 6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.743 -11.824 6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.942 -10.619 6.058 1.00 0.00 H new ATOM 713 N LEU A 46 -8.028 -10.184 3.784 1.00 0.00 N ATOM 714 CA LEU A 46 -7.719 -10.309 2.364 1.00 0.00 C ATOM 715 C LEU A 46 -6.606 -11.327 2.136 1.00 0.00 C ATOM 716 O LEU A 46 -5.965 -11.785 3.081 1.00 0.00 O ATOM 717 CB LEU A 46 -7.309 -8.951 1.789 1.00 0.00 C ATOM 718 CG LEU A 46 -8.220 -7.773 2.138 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.468 -6.458 1.997 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.459 -7.778 1.255 1.00 0.00 C ATOM 0 H LEU A 46 -7.741 -9.299 4.202 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.616 -10.658 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.302 -8.721 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.260 -9.038 0.704 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.537 -7.878 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.131 -5.631 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.611 -6.455 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.122 -6.345 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.096 -6.933 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.161 -7.697 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.009 -8.707 1.405 1.00 0.00 H new ATOM 732 N THR A 47 -6.382 -11.676 0.873 1.00 0.00 N ATOM 733 CA THR A 47 -5.346 -12.639 0.519 1.00 0.00 C ATOM 734 C THR A 47 -4.024 -11.940 0.222 1.00 0.00 C ATOM 735 O THR A 47 -3.958 -10.712 0.165 1.00 0.00 O ATOM 736 CB THR A 47 -5.756 -13.481 -0.704 1.00 0.00 C ATOM 737 OG1 THR A 47 -4.965 -14.673 -0.765 1.00 0.00 O ATOM 738 CG2 THR A 47 -5.582 -12.685 -1.990 1.00 0.00 C ATOM 0 H THR A 47 -6.904 -11.306 0.078 1.00 0.00 H new ATOM 0 HA THR A 47 -5.220 -13.298 1.378 1.00 0.00 H new ATOM 0 HB THR A 47 -6.808 -13.748 -0.599 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.233 -15.204 -1.544 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.877 -13.299 -2.841 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.206 -11.792 -1.953 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.537 -12.393 -2.099 1.00 0.00 H new ATOM 746 N LYS A 48 -2.973 -12.730 0.032 1.00 0.00 N ATOM 747 CA LYS A 48 -1.651 -12.188 -0.262 1.00 0.00 C ATOM 748 C LYS A 48 -1.650 -11.450 -1.597 1.00 0.00 C ATOM 749 O LYS A 48 -1.116 -10.346 -1.705 1.00 0.00 O ATOM 750 CB LYS A 48 -0.611 -13.311 -0.287 1.00 0.00 C ATOM 751 CG LYS A 48 0.782 -12.859 0.117 1.00 0.00 C ATOM 752 CD LYS A 48 1.567 -13.985 0.766 1.00 0.00 C ATOM 753 CE LYS A 48 2.302 -14.822 -0.270 1.00 0.00 C ATOM 754 NZ LYS A 48 2.623 -16.183 0.243 1.00 0.00 N ATOM 0 H LYS A 48 -3.011 -13.748 0.076 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.393 -11.479 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.934 -14.108 0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.570 -13.734 -1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.318 -12.500 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.707 -12.021 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.284 -13.569 1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.889 -14.621 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.690 -14.907 -1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.223 -14.316 -0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.123 -16.722 -0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.228 -16.103 1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.742 -16.676 0.495 1.00 0.00 H new ATOM 768 N ARG A 49 -2.252 -12.066 -2.609 1.00 0.00 N ATOM 769 CA ARG A 49 -2.321 -11.466 -3.936 1.00 0.00 C ATOM 770 C ARG A 49 -2.895 -10.055 -3.866 1.00 0.00 C ATOM 771 O ARG A 49 -2.458 -9.159 -4.589 1.00 0.00 O ATOM 772 CB ARG A 49 -3.175 -12.330 -4.865 1.00 0.00 C ATOM 773 CG ARG A 49 -3.731 -11.574 -6.061 1.00 0.00 C ATOM 774 CD ARG A 49 -5.090 -10.965 -5.751 1.00 0.00 C ATOM 775 NE ARG A 49 -5.633 -10.229 -6.891 1.00 0.00 N ATOM 776 CZ ARG A 49 -6.842 -9.681 -6.901 1.00 0.00 C ATOM 777 NH1 ARG A 49 -7.630 -9.782 -5.840 1.00 0.00 N ATOM 778 NH2 ARG A 49 -7.265 -9.027 -7.976 1.00 0.00 N ATOM 0 H ARG A 49 -2.699 -12.980 -2.535 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.308 -11.408 -4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.575 -13.167 -5.222 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.003 -12.752 -4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.035 -10.786 -6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.819 -12.250 -6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.785 -11.755 -5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.000 -10.295 -4.896 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.052 -10.131 -7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.308 -10.282 -5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.558 -9.359 -5.852 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.661 -8.946 -8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.194 -8.606 -7.984 1.00 0.00 H new ATOM 792 N VAL A 50 -3.878 -9.864 -2.992 1.00 0.00 N ATOM 793 CA VAL A 50 -4.512 -8.562 -2.826 1.00 0.00 C ATOM 794 C VAL A 50 -3.597 -7.596 -2.080 1.00 0.00 C ATOM 795 O VAL A 50 -3.357 -6.477 -2.533 1.00 0.00 O ATOM 796 CB VAL A 50 -5.846 -8.679 -2.066 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.469 -7.306 -1.865 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.801 -9.603 -2.806 1.00 0.00 C ATOM 0 H VAL A 50 -4.253 -10.595 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.706 -8.175 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.648 -9.109 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.411 -7.409 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.789 -6.678 -1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.655 -6.845 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.739 -9.674 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.995 -9.204 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.355 -10.594 -2.892 1.00 0.00 H new ATOM 808 N LEU A 51 -3.090 -8.036 -0.935 1.00 0.00 N ATOM 809 CA LEU A 51 -2.201 -7.212 -0.123 1.00 0.00 C ATOM 810 C LEU A 51 -0.989 -6.760 -0.932 1.00 0.00 C ATOM 811 O LEU A 51 -0.504 -5.641 -0.768 1.00 0.00 O ATOM 812 CB LEU A 51 -1.743 -7.985 1.114 1.00 0.00 C ATOM 813 CG LEU A 51 -2.852 -8.573 1.987 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.372 -9.840 2.678 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.326 -7.551 3.010 1.00 0.00 C ATOM 0 H LEU A 51 -3.279 -8.960 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.754 -6.328 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.094 -8.798 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.138 -7.320 1.730 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.695 -8.831 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.175 -10.244 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.084 -10.577 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.513 -9.608 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.115 -7.988 3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.491 -7.260 3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.712 -6.672 2.494 1.00 0.00 H new ATOM 827 N GLN A 52 -0.508 -7.637 -1.808 1.00 0.00 N ATOM 828 CA GLN A 52 0.646 -7.327 -2.643 1.00 0.00 C ATOM 829 C GLN A 52 0.317 -6.217 -3.635 1.00 0.00 C ATOM 830 O GLN A 52 1.047 -5.231 -3.744 1.00 0.00 O ATOM 831 CB GLN A 52 1.108 -8.577 -3.393 1.00 0.00 C ATOM 832 CG GLN A 52 2.126 -9.407 -2.626 1.00 0.00 C ATOM 833 CD GLN A 52 3.512 -8.793 -2.645 1.00 0.00 C ATOM 834 OE1 GLN A 52 3.713 -7.671 -2.178 1.00 0.00 O ATOM 835 NE2 GLN A 52 4.477 -9.528 -3.183 1.00 0.00 N ATOM 0 H GLN A 52 -0.900 -8.567 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 52 1.451 -6.982 -1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.240 -9.198 -3.617 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.541 -8.278 -4.348 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.795 -9.517 -1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.170 -10.408 -3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.265 -10.453 -3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.431 -9.168 -3.221 1.00 0.00 H new ATOM 844 N VAL A 53 -0.786 -6.383 -4.358 1.00 0.00 N ATOM 845 CA VAL A 53 -1.212 -5.395 -5.341 1.00 0.00 C ATOM 846 C VAL A 53 -1.442 -4.036 -4.690 1.00 0.00 C ATOM 847 O VAL A 53 -0.766 -3.058 -5.013 1.00 0.00 O ATOM 848 CB VAL A 53 -2.504 -5.834 -6.056 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.941 -4.782 -7.064 1.00 0.00 C ATOM 850 CG2 VAL A 53 -2.306 -7.183 -6.732 1.00 0.00 C ATOM 0 H VAL A 53 -1.401 -7.193 -4.281 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.410 -5.313 -6.074 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.293 -5.938 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.855 -5.110 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.125 -3.839 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.156 -4.642 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.228 -7.478 -7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.503 -7.108 -7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.044 -7.930 -5.983 1.00 0.00 H new ATOM 860 N TRP A 54 -2.400 -3.980 -3.771 1.00 0.00 N ATOM 861 CA TRP A 54 -2.719 -2.740 -3.073 1.00 0.00 C ATOM 862 C TRP A 54 -1.450 -1.967 -2.729 1.00 0.00 C ATOM 863 O TRP A 54 -1.233 -0.860 -3.222 1.00 0.00 O ATOM 864 CB TRP A 54 -3.511 -3.037 -1.798 1.00 0.00 C ATOM 865 CG TRP A 54 -3.983 -1.803 -1.092 1.00 0.00 C ATOM 866 CD1 TRP A 54 -5.184 -1.173 -1.256 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.264 -1.049 -0.110 1.00 0.00 C ATOM 868 NE1 TRP A 54 -5.253 -0.073 -0.436 1.00 0.00 N ATOM 869 CE2 TRP A 54 -4.088 0.024 0.279 1.00 0.00 C ATOM 870 CE3 TRP A 54 -2.004 -1.178 0.481 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.692 0.962 1.228 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.611 -0.246 1.423 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.453 0.812 1.790 1.00 0.00 C ATOM 0 H TRP A 54 -2.969 -4.779 -3.492 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.328 -2.126 -3.736 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.373 -3.655 -2.050 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.888 -3.620 -1.119 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.964 -1.493 -1.931 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.044 0.568 -0.370 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.349 -1.992 0.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.339 1.779 1.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.638 -0.335 1.884 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.118 1.523 2.531 1.00 0.00 H new ATOM 884 N PHE A 55 -0.614 -2.558 -1.881 1.00 0.00 N ATOM 885 CA PHE A 55 0.634 -1.923 -1.471 1.00 0.00 C ATOM 886 C PHE A 55 1.391 -1.383 -2.681 1.00 0.00 C ATOM 887 O PHE A 55 1.779 -0.215 -2.710 1.00 0.00 O ATOM 888 CB PHE A 55 1.510 -2.919 -0.709 1.00 0.00 C ATOM 889 CG PHE A 55 1.266 -2.920 0.773 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.122 -3.496 1.300 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.181 -2.342 1.639 1.00 0.00 C ATOM 892 CE1 PHE A 55 -0.105 -3.498 2.664 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.960 -2.342 3.004 1.00 0.00 C ATOM 894 CZ PHE A 55 0.815 -2.920 3.517 1.00 0.00 C ATOM 0 H PHE A 55 -0.778 -3.475 -1.465 1.00 0.00 H new ATOM 0 HA PHE A 55 0.391 -1.088 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.331 -3.921 -1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.558 -2.686 -0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.601 -3.949 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.077 -1.886 1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.001 -3.951 3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.682 -1.891 3.668 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.640 -2.920 4.583 1.00 0.00 H new ATOM 904 N GLN A 56 1.600 -2.241 -3.673 1.00 0.00 N ATOM 905 CA GLN A 56 2.312 -1.850 -4.884 1.00 0.00 C ATOM 906 C GLN A 56 1.672 -0.621 -5.520 1.00 0.00 C ATOM 907 O GLN A 56 2.366 0.280 -5.988 1.00 0.00 O ATOM 908 CB GLN A 56 2.331 -3.006 -5.886 1.00 0.00 C ATOM 909 CG GLN A 56 3.255 -4.144 -5.485 1.00 0.00 C ATOM 910 CD GLN A 56 2.807 -5.483 -6.037 1.00 0.00 C ATOM 911 OE1 GLN A 56 1.755 -5.585 -6.669 1.00 0.00 O ATOM 912 NE2 GLN A 56 3.604 -6.517 -5.801 1.00 0.00 N ATOM 0 H GLN A 56 1.287 -3.212 -3.663 1.00 0.00 H new ATOM 0 HA GLN A 56 3.337 -1.601 -4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.319 -3.394 -6.000 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.638 -2.626 -6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.264 -3.929 -5.838 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.303 -4.202 -4.398 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.466 -6.386 -5.273 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.354 -7.443 -6.148 1.00 0.00 H new ATOM 921 N ASN A 57 0.343 -0.592 -5.533 1.00 0.00 N ATOM 922 CA ASN A 57 -0.391 0.527 -6.113 1.00 0.00 C ATOM 923 C ASN A 57 -0.216 1.787 -5.271 1.00 0.00 C ATOM 924 O ASN A 57 -0.313 2.904 -5.778 1.00 0.00 O ATOM 925 CB ASN A 57 -1.877 0.182 -6.232 1.00 0.00 C ATOM 926 CG ASN A 57 -2.205 -0.518 -7.536 1.00 0.00 C ATOM 927 OD1 ASN A 57 -2.855 0.053 -8.414 1.00 0.00 O ATOM 928 ND2 ASN A 57 -1.756 -1.759 -7.671 1.00 0.00 N ATOM 0 H ASN A 57 -0.247 -1.330 -5.149 1.00 0.00 H new ATOM 0 HA ASN A 57 0.012 0.717 -7.108 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.167 -0.456 -5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.467 1.095 -6.155 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.945 -2.279 -8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.222 -2.193 -6.918 1.00 0.00 H new ATOM 935 N ALA A 58 0.042 1.599 -3.980 1.00 0.00 N ATOM 936 CA ALA A 58 0.233 2.720 -3.068 1.00 0.00 C ATOM 937 C ALA A 58 1.570 3.411 -3.320 1.00 0.00 C ATOM 938 O ALA A 58 1.702 4.619 -3.119 1.00 0.00 O ATOM 939 CB ALA A 58 0.147 2.246 -1.625 1.00 0.00 C ATOM 0 H ALA A 58 0.123 0.681 -3.543 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.561 3.444 -3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.291 3.093 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.833 1.804 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.921 1.501 -1.440 1.00 0.00 H new ATOM 945 N ARG A 59 2.556 2.638 -3.762 1.00 0.00 N ATOM 946 CA ARG A 59 3.882 3.177 -4.039 1.00 0.00 C ATOM 947 C ARG A 59 3.867 4.033 -5.302 1.00 0.00 C ATOM 948 O ARG A 59 4.649 4.974 -5.435 1.00 0.00 O ATOM 949 CB ARG A 59 4.896 2.041 -4.192 1.00 0.00 C ATOM 950 CG ARG A 59 5.124 1.253 -2.913 1.00 0.00 C ATOM 951 CD ARG A 59 6.168 1.917 -2.028 1.00 0.00 C ATOM 952 NE ARG A 59 7.414 2.170 -2.746 1.00 0.00 N ATOM 953 CZ ARG A 59 8.437 2.840 -2.229 1.00 0.00 C ATOM 954 NH1 ARG A 59 8.364 3.319 -0.995 1.00 0.00 N ATOM 955 NH2 ARG A 59 9.538 3.030 -2.946 1.00 0.00 N ATOM 0 H ARG A 59 2.462 1.637 -3.936 1.00 0.00 H new ATOM 0 HA ARG A 59 4.175 3.805 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.552 1.361 -4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.846 2.456 -4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.185 1.165 -2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.445 0.241 -3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.773 2.858 -1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.369 1.281 -1.166 1.00 0.00 H new ATOM 0 HE ARG A 59 7.503 1.812 -3.697 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.520 3.173 -0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.151 3.833 -0.600 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.599 2.661 -3.895 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.323 3.545 -2.548 1.00 0.00 H new ATOM 969 N ALA A 60 2.973 3.699 -6.227 1.00 0.00 N ATOM 970 CA ALA A 60 2.856 4.438 -7.479 1.00 0.00 C ATOM 971 C ALA A 60 2.274 5.828 -7.243 1.00 0.00 C ATOM 972 O ALA A 60 2.609 6.780 -7.948 1.00 0.00 O ATOM 973 CB ALA A 60 1.997 3.664 -8.469 1.00 0.00 C ATOM 0 H ALA A 60 2.319 2.922 -6.133 1.00 0.00 H new ATOM 0 HA ALA A 60 3.855 4.558 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.918 4.226 -9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.455 2.695 -8.669 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.002 3.515 -8.049 1.00 0.00 H new ATOM 979 N LYS A 61 1.400 5.937 -6.248 1.00 0.00 N ATOM 980 CA LYS A 61 0.771 7.210 -5.919 1.00 0.00 C ATOM 981 C LYS A 61 1.660 8.033 -4.992 1.00 0.00 C ATOM 982 O LYS A 61 1.647 9.264 -5.034 1.00 0.00 O ATOM 983 CB LYS A 61 -0.590 6.975 -5.260 1.00 0.00 C ATOM 984 CG LYS A 61 -0.517 6.825 -3.751 1.00 0.00 C ATOM 985 CD LYS A 61 -1.643 5.952 -3.221 1.00 0.00 C ATOM 986 CE LYS A 61 -2.872 6.778 -2.874 1.00 0.00 C ATOM 987 NZ LYS A 61 -3.722 6.105 -1.853 1.00 0.00 N ATOM 0 H LYS A 61 1.111 5.159 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 61 0.628 7.766 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.250 7.808 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.040 6.077 -5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.443 6.390 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.568 7.809 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.906 5.202 -3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.303 5.415 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.560 7.754 -2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.458 6.954 -3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.549 6.699 -1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.040 5.185 -2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.171 5.960 -0.983 1.00 0.00 H new ATOM 1001 N PHE A 62 2.434 7.346 -4.158 1.00 0.00 N ATOM 1002 CA PHE A 62 3.330 8.013 -3.221 1.00 0.00 C ATOM 1003 C PHE A 62 4.271 8.966 -3.954 1.00 0.00 C ATOM 1004 O PHE A 62 4.388 10.137 -3.595 1.00 0.00 O ATOM 1005 CB PHE A 62 4.142 6.981 -2.435 1.00 0.00 C ATOM 1006 CG PHE A 62 4.997 7.585 -1.358 1.00 0.00 C ATOM 1007 CD1 PHE A 62 4.418 8.186 -0.251 1.00 0.00 C ATOM 1008 CD2 PHE A 62 6.378 7.553 -1.451 1.00 0.00 C ATOM 1009 CE1 PHE A 62 5.201 8.742 0.743 1.00 0.00 C ATOM 1010 CE2 PHE A 62 7.167 8.106 -0.461 1.00 0.00 C ATOM 1011 CZ PHE A 62 6.577 8.703 0.636 1.00 0.00 C ATOM 0 H PHE A 62 2.459 6.327 -4.112 1.00 0.00 H new ATOM 0 HA PHE A 62 2.722 8.592 -2.526 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.460 6.260 -1.985 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.779 6.429 -3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.342 8.220 -0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.844 7.090 -2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.738 9.206 1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.243 8.072 -0.545 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.192 9.139 1.410 1.00 0.00 H new ATOM 1021 N ARG A 63 4.939 8.454 -4.982 1.00 0.00 N ATOM 1022 CA ARG A 63 5.871 9.258 -5.764 1.00 0.00 C ATOM 1023 C ARG A 63 5.320 10.662 -5.991 1.00 0.00 C ATOM 1024 O ARG A 63 6.041 11.651 -5.861 1.00 0.00 O ATOM 1025 CB ARG A 63 6.153 8.585 -7.109 1.00 0.00 C ATOM 1026 CG ARG A 63 7.327 7.622 -7.073 1.00 0.00 C ATOM 1027 CD ARG A 63 7.589 7.010 -8.442 1.00 0.00 C ATOM 1028 NE ARG A 63 6.797 5.803 -8.661 1.00 0.00 N ATOM 1029 CZ ARG A 63 7.060 4.636 -8.081 1.00 0.00 C ATOM 1030 NH1 ARG A 63 8.087 4.522 -7.250 1.00 0.00 N ATOM 1031 NH2 ARG A 63 6.294 3.582 -8.332 1.00 0.00 N ATOM 0 H ARG A 63 4.852 7.486 -5.293 1.00 0.00 H new ATOM 0 HA ARG A 63 6.802 9.339 -5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.262 8.046 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.347 9.354 -7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.219 8.147 -6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.127 6.830 -6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.358 7.741 -9.217 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.648 6.771 -8.536 1.00 0.00 H new ATOM 0 HE ARG A 63 5.999 5.858 -9.293 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.677 5.331 -7.055 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.287 3.626 -6.806 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.503 3.667 -8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.496 2.687 -7.887 1.00 0.00 H new ATOM 1045 N ARG A 64 4.037 10.741 -6.332 1.00 0.00 N ATOM 1046 CA ARG A 64 3.390 12.024 -6.578 1.00 0.00 C ATOM 1047 C ARG A 64 3.681 13.006 -5.448 1.00 0.00 C ATOM 1048 O ARG A 64 4.123 14.129 -5.687 1.00 0.00 O ATOM 1049 CB ARG A 64 1.879 11.836 -6.729 1.00 0.00 C ATOM 1050 CG ARG A 64 1.159 13.074 -7.239 1.00 0.00 C ATOM 1051 CD ARG A 64 -0.162 12.717 -7.901 1.00 0.00 C ATOM 1052 NE ARG A 64 -1.155 12.262 -6.930 1.00 0.00 N ATOM 1053 CZ ARG A 64 -2.416 11.986 -7.243 1.00 0.00 C ATOM 1054 NH1 ARG A 64 -2.837 12.118 -8.493 1.00 0.00 N ATOM 1055 NH2 ARG A 64 -3.259 11.578 -6.304 1.00 0.00 N ATOM 0 H ARG A 64 3.426 9.932 -6.444 1.00 0.00 H new ATOM 0 HA ARG A 64 3.793 12.434 -7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.691 11.009 -7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.458 11.553 -5.764 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.979 13.759 -6.410 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.795 13.598 -7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.547 13.586 -8.434 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.004 11.936 -8.643 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.864 12.150 -5.959 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.192 12.432 -9.218 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.806 11.905 -8.730 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.939 11.476 -5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.227 11.366 -6.545 1.00 0.00 H new ATOM 1069 N ASN A 65 3.429 12.575 -4.216 1.00 0.00 N ATOM 1070 CA ASN A 65 3.663 13.417 -3.048 1.00 0.00 C ATOM 1071 C ASN A 65 5.157 13.605 -2.804 1.00 0.00 C ATOM 1072 O ASN A 65 5.565 14.459 -2.017 1.00 0.00 O ATOM 1073 CB ASN A 65 3.006 12.802 -1.811 1.00 0.00 C ATOM 1074 CG ASN A 65 2.763 13.824 -0.717 1.00 0.00 C ATOM 1075 OD1 ASN A 65 2.943 15.025 -0.923 1.00 0.00 O ATOM 1076 ND2 ASN A 65 2.355 13.352 0.454 1.00 0.00 N ATOM 0 H ASN A 65 3.063 11.648 -4.001 1.00 0.00 H new ATOM 0 HA ASN A 65 3.219 14.394 -3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.058 12.346 -2.095 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.640 12.004 -1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.177 13.992 1.228 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.219 12.349 0.580 1.00 0.00 H new ATOM 1083 N LEU A 66 5.968 12.802 -3.485 1.00 0.00 N ATOM 1084 CA LEU A 66 7.417 12.880 -3.342 1.00 0.00 C ATOM 1085 C LEU A 66 8.018 13.815 -4.389 1.00 0.00 C ATOM 1086 O LEU A 66 9.221 14.079 -4.384 1.00 0.00 O ATOM 1087 CB LEU A 66 8.038 11.488 -3.470 1.00 0.00 C ATOM 1088 CG LEU A 66 9.510 11.370 -3.075 1.00 0.00 C ATOM 1089 CD1 LEU A 66 9.651 11.263 -1.565 1.00 0.00 C ATOM 1090 CD2 LEU A 66 10.151 10.171 -3.759 1.00 0.00 C ATOM 0 H LEU A 66 5.646 12.090 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 66 7.638 13.281 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.461 10.797 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.933 11.159 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 66 10.028 12.271 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.706 11.180 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.230 12.152 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.119 10.380 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.199 10.102 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.631 9.261 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.083 10.290 -4.840 1.00 0.00 H new ATOM 1102 N LEU A 67 7.172 14.313 -5.283 1.00 0.00 N ATOM 1103 CA LEU A 67 7.618 15.221 -6.334 1.00 0.00 C ATOM 1104 C LEU A 67 7.198 16.655 -6.030 1.00 0.00 C ATOM 1105 O LEU A 67 7.452 17.567 -6.817 1.00 0.00 O ATOM 1106 CB LEU A 67 7.048 14.786 -7.686 1.00 0.00 C ATOM 1107 CG LEU A 67 7.494 13.414 -8.193 1.00 0.00 C ATOM 1108 CD1 LEU A 67 6.742 13.044 -9.462 1.00 0.00 C ATOM 1109 CD2 LEU A 67 8.995 13.397 -8.436 1.00 0.00 C ATOM 0 H LEU A 67 6.174 14.104 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 67 8.707 15.183 -6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.960 14.789 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.323 15.533 -8.431 1.00 0.00 H new ATOM 0 HG LEU A 67 7.262 12.672 -7.428 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.072 12.065 -9.808 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.672 13.014 -9.255 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.942 13.788 -10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.294 12.413 -8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.251 14.150 -9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.517 13.616 -7.505 1.00 0.00 H new ATOM 1121 N ARG A 68 6.557 16.848 -4.882 1.00 0.00 N ATOM 1122 CA ARG A 68 6.102 18.171 -4.474 1.00 0.00 C ATOM 1123 C ARG A 68 7.250 18.977 -3.873 1.00 0.00 C ATOM 1124 O ARG A 68 8.016 18.470 -3.055 1.00 0.00 O ATOM 1125 CB ARG A 68 4.963 18.052 -3.459 1.00 0.00 C ATOM 1126 CG ARG A 68 4.503 19.389 -2.902 1.00 0.00 C ATOM 1127 CD ARG A 68 3.359 19.216 -1.914 1.00 0.00 C ATOM 1128 NE ARG A 68 2.150 18.710 -2.559 1.00 0.00 N ATOM 1129 CZ ARG A 68 0.931 18.855 -2.053 1.00 0.00 C ATOM 1130 NH1 ARG A 68 0.759 19.488 -0.900 1.00 0.00 N ATOM 1131 NH2 ARG A 68 -0.120 18.365 -2.699 1.00 0.00 N ATOM 0 H ARG A 68 6.341 16.104 -4.218 1.00 0.00 H new ATOM 0 HA ARG A 68 5.737 18.692 -5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.116 17.554 -3.932 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.287 17.416 -2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.339 19.886 -2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.185 20.035 -3.720 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.663 18.529 -1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.143 20.173 -1.439 1.00 0.00 H new ATOM 0 HE ARG A 68 2.248 18.218 -3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.564 19.865 -0.400 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.179 19.598 -0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.008 17.876 -3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.056 18.477 -2.309 1.00 0.00 H new ATOM 1145 N GLN A 69 7.362 20.237 -4.286 1.00 0.00 N ATOM 1146 CA GLN A 69 8.416 21.112 -3.789 1.00 0.00 C ATOM 1147 C GLN A 69 8.592 20.953 -2.283 1.00 0.00 C ATOM 1148 O GLN A 69 7.737 21.370 -1.502 1.00 0.00 O ATOM 1149 CB GLN A 69 8.099 22.570 -4.127 1.00 0.00 C ATOM 1150 CG GLN A 69 9.212 23.536 -3.757 1.00 0.00 C ATOM 1151 CD GLN A 69 9.104 24.860 -4.489 1.00 0.00 C ATOM 1152 OE1 GLN A 69 9.022 25.920 -3.869 1.00 0.00 O ATOM 1153 NE2 GLN A 69 9.101 24.804 -5.816 1.00 0.00 N ATOM 0 H GLN A 69 6.736 20.673 -4.963 1.00 0.00 H new ATOM 0 HA GLN A 69 9.349 20.828 -4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.899 22.651 -5.195 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.187 22.864 -3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.189 23.717 -2.682 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.175 23.078 -3.983 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.171 23.903 -6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.029 25.662 -6.363 1.00 0.00 H new ATOM 1162 N GLU A 70 9.704 20.346 -1.882 1.00 0.00 N ATOM 1163 CA GLU A 70 9.990 20.133 -0.468 1.00 0.00 C ATOM 1164 C GLU A 70 10.993 21.161 0.047 1.00 0.00 C ATOM 1165 O GLU A 70 11.707 21.791 -0.733 1.00 0.00 O ATOM 1166 CB GLU A 70 10.532 18.719 -0.243 1.00 0.00 C ATOM 1167 CG GLU A 70 11.972 18.540 -0.695 1.00 0.00 C ATOM 1168 CD GLU A 70 12.125 18.611 -2.202 1.00 0.00 C ATOM 1169 OE1 GLU A 70 11.418 17.860 -2.906 1.00 0.00 O ATOM 1170 OE2 GLU A 70 12.952 19.419 -2.676 1.00 0.00 O ATOM 0 H GLU A 70 10.421 19.993 -2.516 1.00 0.00 H new ATOM 0 HA GLU A 70 9.059 20.252 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.460 18.476 0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.901 18.008 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.591 19.309 -0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.343 17.578 -0.341 1.00 0.00 H new ATOM 1177 N ASN A 71 11.040 21.325 1.365 1.00 0.00 N ATOM 1178 CA ASN A 71 11.954 22.278 1.985 1.00 0.00 C ATOM 1179 C ASN A 71 13.405 21.855 1.776 1.00 0.00 C ATOM 1180 O ASN A 71 13.712 20.665 1.713 1.00 0.00 O ATOM 1181 CB ASN A 71 11.657 22.402 3.481 1.00 0.00 C ATOM 1182 CG ASN A 71 12.510 23.459 4.154 1.00 0.00 C ATOM 1183 OD1 ASN A 71 12.938 24.424 3.520 1.00 0.00 O ATOM 1184 ND2 ASN A 71 12.763 23.281 5.445 1.00 0.00 N ATOM 0 H ASN A 71 10.456 20.811 2.024 1.00 0.00 H new ATOM 0 HA ASN A 71 11.805 23.248 1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.604 22.646 3.621 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.828 21.440 3.964 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.333 23.959 5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.388 22.466 5.931 1.00 0.00 H new ATOM 1191 N GLY A 72 14.292 22.838 1.669 1.00 0.00 N ATOM 1192 CA GLY A 72 15.700 22.548 1.470 1.00 0.00 C ATOM 1193 C GLY A 72 16.368 22.025 2.726 1.00 0.00 C ATOM 1194 O GLY A 72 16.724 22.798 3.616 1.00 0.00 O ATOM 0 H GLY A 72 14.061 23.830 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.807 21.813 0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.211 23.453 1.140 1.00 0.00 H new ATOM 1198 N GLY A 73 16.539 20.708 2.801 1.00 0.00 N ATOM 1199 CA GLY A 73 17.166 20.106 3.962 1.00 0.00 C ATOM 1200 C GLY A 73 18.011 18.900 3.604 1.00 0.00 C ATOM 1201 O GLY A 73 17.988 18.433 2.465 1.00 0.00 O ATOM 0 H GLY A 73 16.254 20.048 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.790 20.848 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.396 19.808 4.673 1.00 0.00 H new ATOM 1205 N VAL A 74 18.759 18.393 4.578 1.00 0.00 N ATOM 1206 CA VAL A 74 19.616 17.233 4.360 1.00 0.00 C ATOM 1207 C VAL A 74 18.791 15.957 4.238 1.00 0.00 C ATOM 1208 O VAL A 74 18.962 15.185 3.294 1.00 0.00 O ATOM 1209 CB VAL A 74 20.636 17.066 5.503 1.00 0.00 C ATOM 1210 CG1 VAL A 74 21.491 15.829 5.278 1.00 0.00 C ATOM 1211 CG2 VAL A 74 21.504 18.309 5.627 1.00 0.00 C ATOM 0 H VAL A 74 18.789 18.767 5.526 1.00 0.00 H new ATOM 0 HA VAL A 74 20.153 17.406 3.427 1.00 0.00 H new ATOM 0 HB VAL A 74 20.091 16.936 6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 74 22.205 15.727 6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.852 14.947 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 74 22.029 15.925 4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 74 22.219 18.174 6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 74 22.042 18.472 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 74 20.874 19.173 5.838 1.00 0.00 H new ATOM 1221 N SER A 75 17.899 15.741 5.198 1.00 0.00 N ATOM 1222 CA SER A 75 17.050 14.556 5.200 1.00 0.00 C ATOM 1223 C SER A 75 16.510 14.271 3.802 1.00 0.00 C ATOM 1224 O SER A 75 15.702 15.032 3.270 1.00 0.00 O ATOM 1225 CB SER A 75 15.889 14.736 6.181 1.00 0.00 C ATOM 1226 OG SER A 75 15.322 13.485 6.535 1.00 0.00 O ATOM 0 H SER A 75 17.745 16.371 5.985 1.00 0.00 H new ATOM 0 HA SER A 75 17.655 13.707 5.516 1.00 0.00 H new ATOM 0 HB2 SER A 75 16.242 15.246 7.078 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.125 15.371 5.733 1.00 0.00 H new ATOM 0 HG SER A 75 14.584 13.627 7.164 1.00 0.00 H new ATOM 1232 N GLY A 76 16.963 13.169 3.212 1.00 0.00 N ATOM 1233 CA GLY A 76 16.515 12.803 1.880 1.00 0.00 C ATOM 1234 C GLY A 76 17.091 13.706 0.807 1.00 0.00 C ATOM 1235 O GLY A 76 17.359 14.886 1.036 1.00 0.00 O ATOM 0 H GLY A 76 17.632 12.523 3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.801 11.771 1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.427 12.846 1.841 1.00 0.00 H new ATOM 1239 N PRO A 77 17.288 13.149 -0.397 1.00 0.00 N ATOM 1240 CA PRO A 77 17.838 13.894 -1.533 1.00 0.00 C ATOM 1241 C PRO A 77 16.864 14.939 -2.068 1.00 0.00 C ATOM 1242 O PRO A 77 15.675 14.913 -1.749 1.00 0.00 O ATOM 1243 CB PRO A 77 18.087 12.808 -2.583 1.00 0.00 C ATOM 1244 CG PRO A 77 17.126 11.722 -2.239 1.00 0.00 C ATOM 1245 CD PRO A 77 16.990 11.749 -0.741 1.00 0.00 C ATOM 0 HA PRO A 77 18.732 14.454 -1.258 1.00 0.00 H new ATOM 0 HB2 PRO A 77 17.914 13.185 -3.591 1.00 0.00 H new ATOM 0 HB3 PRO A 77 19.117 12.452 -2.548 1.00 0.00 H new ATOM 0 HG2 PRO A 77 16.162 11.886 -2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 77 17.493 10.754 -2.580 1.00 0.00 H new ATOM 0 HD2 PRO A 77 15.988 11.462 -0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 77 17.686 11.060 -0.262 1.00 0.00 H new ATOM 1253 N SER A 78 17.374 15.855 -2.884 1.00 0.00 N ATOM 1254 CA SER A 78 16.549 16.911 -3.459 1.00 0.00 C ATOM 1255 C SER A 78 16.735 16.980 -4.973 1.00 0.00 C ATOM 1256 O SER A 78 15.764 17.070 -5.725 1.00 0.00 O ATOM 1257 CB SER A 78 16.898 18.260 -2.830 1.00 0.00 C ATOM 1258 OG SER A 78 18.203 18.673 -3.195 1.00 0.00 O ATOM 0 H SER A 78 18.355 15.888 -3.162 1.00 0.00 H new ATOM 0 HA SER A 78 15.505 16.679 -3.247 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.174 19.010 -3.148 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.827 18.188 -1.745 1.00 0.00 H new ATOM 0 HG SER A 78 18.400 19.539 -2.781 1.00 0.00 H new ATOM 1264 N SER A 79 17.989 16.938 -5.412 1.00 0.00 N ATOM 1265 CA SER A 79 18.303 17.000 -6.834 1.00 0.00 C ATOM 1266 C SER A 79 17.689 15.818 -7.578 1.00 0.00 C ATOM 1267 O SER A 79 17.527 14.735 -7.018 1.00 0.00 O ATOM 1268 CB SER A 79 19.819 17.017 -7.043 1.00 0.00 C ATOM 1269 OG SER A 79 20.427 18.045 -6.280 1.00 0.00 O ATOM 0 H SER A 79 18.804 16.861 -4.803 1.00 0.00 H new ATOM 0 HA SER A 79 17.878 17.920 -7.235 1.00 0.00 H new ATOM 0 HB2 SER A 79 20.239 16.052 -6.759 1.00 0.00 H new ATOM 0 HB3 SER A 79 20.042 17.164 -8.100 1.00 0.00 H new ATOM 0 HG SER A 79 21.395 18.034 -6.429 1.00 0.00 H new ATOM 1275 N GLY A 80 17.351 16.035 -8.845 1.00 0.00 N ATOM 1276 CA GLY A 80 16.758 14.980 -9.646 1.00 0.00 C ATOM 1277 C GLY A 80 16.962 15.198 -11.132 1.00 0.00 C ATOM 1278 O GLY A 80 16.056 15.655 -11.830 1.00 0.00 O ATOM 0 H GLY A 80 17.477 16.923 -9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.192 14.022 -9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.691 14.923 -9.433 1.00 0.00 H new TER 1282 GLY A 80