USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 718 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 THR OG1 : rot -25:sc= 1.17 USER MOD Set 1.2: A 59 ASN : amide:sc= 1.38 K(o=2.6,f=-8.2!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.271 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= 1.24 (180deg=0.153!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 170:sc= 0.307 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -145:sc= 0 (180deg=-0.0753) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0159 K(o=-0.016,f=-1.2) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -86:sc= 1.33 USER MOD Single : A 68 ASN : amide:sc= 0.582 K(o=0.58,f=-1.1) USER MOD Single : A 69 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 84:sc= 0.515 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.05 X(o=-0.05,f=-0.013) USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= 0.742 (180deg=0.738) USER MOD Single : A 91 GLN : amide:sc= -0.0894 X(o=-0.089,f=-0.28) USER MOD Single : A 95 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.2!) USER MOD Single : A 96 GLN : amide:sc= -0.0278 X(o=-0.028,f=-0.26) USER MOD Single : A 101 SER OG : rot 160:sc= 0.261 USER MOD Single : A 106 LYS NZ :NH3+ 170:sc= 0.974 (180deg=0.909) USER MOD Single : A 107 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.8!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.608 K(o=-0.61,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -15.526 -0.818 -23.068 1.00 0.00 N ATOM 2 CA GLY A 29 -14.400 -1.731 -23.113 1.00 0.00 C ATOM 3 C GLY A 29 -13.117 -1.048 -23.546 1.00 0.00 C ATOM 4 O GLY A 29 -12.673 -0.090 -22.913 1.00 0.00 O ATOM 0 HA2 GLY A 29 -14.257 -2.175 -22.128 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.624 -2.546 -23.801 1.00 0.00 H new ATOM 10 N SER A 30 -12.521 -1.542 -24.625 1.00 0.00 N ATOM 11 CA SER A 30 -11.434 -0.831 -25.292 1.00 0.00 C ATOM 12 C SER A 30 -10.086 -1.214 -24.690 1.00 0.00 C ATOM 13 O SER A 30 -9.099 -0.493 -24.843 1.00 0.00 O ATOM 14 CB SER A 30 -11.652 0.667 -25.197 1.00 0.00 C ATOM 15 OG SER A 30 -12.971 1.028 -25.500 1.00 0.00 O ATOM 0 H SER A 30 -12.771 -2.431 -25.057 1.00 0.00 H new ATOM 0 HA SER A 30 -11.429 -1.118 -26.344 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.406 1.006 -24.190 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.971 1.176 -25.880 1.00 0.00 H new ATOM 0 HG SER A 30 -13.069 2.000 -25.425 1.00 0.00 H new ATOM 21 N GLU A 31 -10.053 -2.354 -24.006 1.00 0.00 N ATOM 22 CA GLU A 31 -8.993 -2.635 -23.043 1.00 0.00 C ATOM 23 C GLU A 31 -9.141 -4.041 -22.468 1.00 0.00 C ATOM 24 O GLU A 31 -10.174 -4.685 -22.637 1.00 0.00 O ATOM 25 CB GLU A 31 -9.003 -1.599 -21.917 1.00 0.00 C ATOM 26 CG GLU A 31 -10.340 -1.461 -21.201 1.00 0.00 C ATOM 27 CD GLU A 31 -10.361 -0.249 -20.312 1.00 0.00 C ATOM 28 OE1 GLU A 31 -9.389 0.468 -20.293 1.00 0.00 O ATOM 29 OE2 GLU A 31 -11.388 0.024 -19.736 1.00 0.00 O ATOM 0 H GLU A 31 -10.746 -3.096 -24.100 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.038 -2.576 -23.564 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.239 -1.867 -21.187 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.724 -0.629 -22.329 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.142 -1.390 -21.935 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.530 -2.354 -20.606 1.00 0.00 H new ATOM 36 N GLU A 32 -8.096 -4.509 -21.791 1.00 0.00 N ATOM 37 CA GLU A 32 -8.188 -5.726 -20.991 1.00 0.00 C ATOM 38 C GLU A 32 -7.730 -5.472 -19.558 1.00 0.00 C ATOM 39 O GLU A 32 -7.722 -6.379 -18.726 1.00 0.00 O ATOM 40 CB GLU A 32 -7.356 -6.846 -21.621 1.00 0.00 C ATOM 41 CG GLU A 32 -7.827 -7.277 -23.003 1.00 0.00 C ATOM 42 CD GLU A 32 -6.996 -8.413 -23.534 1.00 0.00 C ATOM 43 OE1 GLU A 32 -6.128 -8.868 -22.827 1.00 0.00 O ATOM 44 OE2 GLU A 32 -7.302 -8.900 -24.595 1.00 0.00 O ATOM 0 H GLU A 32 -7.178 -4.065 -21.780 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.233 -6.036 -20.967 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.319 -6.517 -21.690 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.373 -7.711 -20.958 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.873 -7.580 -22.955 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.771 -6.431 -23.689 1.00 0.00 H new ATOM 51 N LYS A 33 -7.350 -4.230 -19.277 1.00 0.00 N ATOM 52 CA LYS A 33 -7.136 -3.788 -17.905 1.00 0.00 C ATOM 53 C LYS A 33 -6.432 -4.866 -17.088 1.00 0.00 C ATOM 54 O LYS A 33 -6.939 -5.306 -16.058 1.00 0.00 O ATOM 55 CB LYS A 33 -8.465 -3.411 -17.247 1.00 0.00 C ATOM 56 CG LYS A 33 -9.122 -2.166 -17.828 1.00 0.00 C ATOM 57 CD LYS A 33 -10.452 -1.875 -17.147 1.00 0.00 C ATOM 58 CE LYS A 33 -10.251 -1.430 -15.706 1.00 0.00 C ATOM 59 NZ LYS A 33 -11.545 -1.160 -15.021 1.00 0.00 N ATOM 0 H LYS A 33 -7.184 -3.512 -19.982 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.496 -2.906 -17.933 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.155 -4.250 -17.342 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.298 -3.255 -16.181 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.456 -1.312 -17.710 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.280 -2.301 -18.898 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.983 -1.099 -17.698 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.078 -2.767 -17.170 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.706 -2.201 -15.161 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.636 -0.530 -15.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.363 -0.860 -14.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.054 -0.407 -15.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.122 -2.025 -15.016 1.00 0.00 H new ATOM 73 N GLU A 34 -5.261 -5.288 -17.558 1.00 0.00 N ATOM 74 CA GLU A 34 -4.488 -6.318 -16.872 1.00 0.00 C ATOM 75 C GLU A 34 -3.028 -6.286 -17.310 1.00 0.00 C ATOM 76 O GLU A 34 -2.711 -5.861 -18.420 1.00 0.00 O ATOM 77 CB GLU A 34 -5.089 -7.702 -17.134 1.00 0.00 C ATOM 78 CG GLU A 34 -5.022 -8.151 -18.587 1.00 0.00 C ATOM 79 CD GLU A 34 -5.719 -9.469 -18.784 1.00 0.00 C ATOM 80 OE1 GLU A 34 -6.238 -9.993 -17.827 1.00 0.00 O ATOM 81 OE2 GLU A 34 -5.830 -9.898 -19.908 1.00 0.00 O ATOM 0 H GLU A 34 -4.827 -4.933 -18.410 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.529 -6.114 -15.802 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.569 -8.434 -16.516 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.131 -7.699 -16.815 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.481 -7.396 -19.225 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.980 -8.238 -18.895 1.00 0.00 H new ATOM 88 N GLU A 35 -2.142 -6.739 -16.428 1.00 0.00 N ATOM 89 CA GLU A 35 -0.751 -6.974 -16.795 1.00 0.00 C ATOM 90 C GLU A 35 -0.522 -8.437 -17.161 1.00 0.00 C ATOM 91 O GLU A 35 0.614 -8.879 -17.324 1.00 0.00 O ATOM 92 CB GLU A 35 0.183 -6.560 -15.656 1.00 0.00 C ATOM 93 CG GLU A 35 0.177 -5.069 -15.348 1.00 0.00 C ATOM 94 CD GLU A 35 1.136 -4.739 -14.237 1.00 0.00 C ATOM 95 OE1 GLU A 35 1.787 -5.632 -13.754 1.00 0.00 O ATOM 96 OE2 GLU A 35 1.299 -3.576 -13.948 1.00 0.00 O ATOM 0 H GLU A 35 -2.363 -6.950 -15.455 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.527 -6.364 -17.670 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.098 -7.106 -14.755 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.199 -6.863 -15.908 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.447 -4.509 -16.243 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.829 -4.757 -15.068 1.00 0.00 H new ATOM 103 N LYS A 36 -1.613 -9.187 -17.285 1.00 0.00 N ATOM 104 CA LYS A 36 -1.533 -10.610 -17.593 1.00 0.00 C ATOM 105 C LYS A 36 -0.996 -11.394 -16.400 1.00 0.00 C ATOM 106 O LYS A 36 -0.671 -12.577 -16.516 1.00 0.00 O ATOM 107 CB LYS A 36 -0.653 -10.847 -18.821 1.00 0.00 C ATOM 108 CG LYS A 36 -1.121 -10.126 -20.078 1.00 0.00 C ATOM 109 CD LYS A 36 -2.495 -10.613 -20.515 1.00 0.00 C ATOM 110 CE LYS A 36 -2.954 -9.907 -21.783 1.00 0.00 C ATOM 111 NZ LYS A 36 -4.334 -10.309 -22.174 1.00 0.00 N ATOM 0 H LYS A 36 -2.563 -8.832 -17.177 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.540 -10.964 -17.813 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.364 -10.529 -18.591 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.614 -11.917 -19.024 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.155 -9.052 -19.893 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.403 -10.288 -20.882 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.464 -11.689 -20.686 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.216 -10.437 -19.717 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.920 -8.828 -21.631 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.265 -10.136 -22.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.822 -9.499 -22.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.287 -11.091 -22.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.858 -10.618 -21.330 1.00 0.00 H new ATOM 125 N LYS A 37 -0.905 -10.731 -15.253 1.00 0.00 N ATOM 126 CA LYS A 37 -0.674 -11.416 -13.988 1.00 0.00 C ATOM 127 C LYS A 37 -1.292 -10.641 -12.828 1.00 0.00 C ATOM 128 O LYS A 37 -1.735 -11.229 -11.841 1.00 0.00 O ATOM 129 CB LYS A 37 0.824 -11.618 -13.750 1.00 0.00 C ATOM 130 CG LYS A 37 1.160 -12.415 -12.499 1.00 0.00 C ATOM 131 CD LYS A 37 2.664 -12.519 -12.295 1.00 0.00 C ATOM 132 CE LYS A 37 3.312 -13.380 -13.370 1.00 0.00 C ATOM 133 NZ LYS A 37 4.768 -13.565 -13.134 1.00 0.00 N ATOM 0 H LYS A 37 -0.988 -9.717 -15.174 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.154 -12.393 -14.043 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.252 -12.125 -14.615 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.304 -10.642 -13.684 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.705 -11.940 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.732 -13.414 -12.576 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.105 -11.522 -12.311 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.871 -12.944 -11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.823 -14.354 -13.398 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.159 -12.918 -14.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.170 -14.157 -13.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.240 -12.638 -13.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.914 -14.029 -12.215 1.00 0.00 H new ATOM 147 N VAL A 38 -1.319 -9.318 -12.954 1.00 0.00 N ATOM 148 CA VAL A 38 -1.716 -8.453 -11.850 1.00 0.00 C ATOM 149 C VAL A 38 -2.335 -7.158 -12.362 1.00 0.00 C ATOM 150 O VAL A 38 -2.361 -6.904 -13.566 1.00 0.00 O ATOM 151 CB VAL A 38 -0.521 -8.116 -10.938 1.00 0.00 C ATOM 152 CG1 VAL A 38 -0.137 -9.323 -10.095 1.00 0.00 C ATOM 153 CG2 VAL A 38 0.666 -7.648 -11.766 1.00 0.00 C ATOM 0 H VAL A 38 -1.071 -8.822 -13.810 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.458 -9.002 -11.270 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.816 -7.307 -10.269 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.709 -9.067 -9.457 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.983 -9.618 -9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.139 -10.150 -10.749 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.501 -7.414 -11.105 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.961 -8.437 -12.458 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.388 -6.757 -12.329 1.00 0.00 H new ATOM 163 N ARG A 39 -2.833 -6.341 -11.438 1.00 0.00 N ATOM 164 CA ARG A 39 -3.401 -5.045 -11.790 1.00 0.00 C ATOM 165 C ARG A 39 -2.350 -3.945 -11.688 1.00 0.00 C ATOM 166 O ARG A 39 -1.502 -3.965 -10.797 1.00 0.00 O ATOM 167 CB ARG A 39 -4.639 -4.716 -10.968 1.00 0.00 C ATOM 168 CG ARG A 39 -5.701 -5.803 -10.949 1.00 0.00 C ATOM 169 CD ARG A 39 -6.242 -6.154 -12.287 1.00 0.00 C ATOM 170 NE ARG A 39 -6.795 -5.031 -13.027 1.00 0.00 N ATOM 171 CZ ARG A 39 -8.022 -4.512 -12.826 1.00 0.00 C ATOM 172 NH1 ARG A 39 -8.841 -5.033 -11.940 1.00 0.00 N ATOM 173 NH2 ARG A 39 -8.391 -3.479 -13.564 1.00 0.00 N ATOM 0 H ARG A 39 -2.854 -6.554 -10.441 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.726 -5.105 -12.829 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.332 -4.510 -9.943 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.084 -3.800 -11.358 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.279 -6.699 -10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.524 -5.480 -10.311 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.447 -6.607 -12.879 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.018 -6.910 -12.164 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.213 -4.606 -13.749 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.551 -5.843 -11.392 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.766 -4.627 -11.801 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.753 -3.097 -14.262 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.314 -3.064 -13.435 1.00 0.00 H new ATOM 187 N GLU A 40 -2.412 -2.986 -12.608 1.00 0.00 N ATOM 188 CA GLU A 40 -1.294 -2.081 -12.845 1.00 0.00 C ATOM 189 C GLU A 40 -1.192 -1.038 -11.736 1.00 0.00 C ATOM 190 O GLU A 40 -1.997 -1.025 -10.805 1.00 0.00 O ATOM 191 CB GLU A 40 -1.436 -1.395 -14.205 1.00 0.00 C ATOM 192 CG GLU A 40 -2.611 -0.433 -14.303 1.00 0.00 C ATOM 193 CD GLU A 40 -2.732 0.143 -15.686 1.00 0.00 C ATOM 194 OE1 GLU A 40 -1.907 -0.165 -16.513 1.00 0.00 O ATOM 195 OE2 GLU A 40 -3.712 0.799 -15.951 1.00 0.00 O ATOM 0 H GLU A 40 -3.225 -2.817 -13.201 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.378 -2.672 -12.845 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.517 -0.850 -14.422 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.542 -2.159 -14.975 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.532 -0.953 -14.042 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.485 0.373 -13.581 1.00 0.00 H new ATOM 202 N LEU A 41 -0.198 -0.164 -11.843 1.00 0.00 N ATOM 203 CA LEU A 41 0.002 0.893 -10.858 1.00 0.00 C ATOM 204 C LEU A 41 -0.316 2.261 -11.453 1.00 0.00 C ATOM 205 O LEU A 41 0.579 2.982 -11.894 1.00 0.00 O ATOM 206 CB LEU A 41 1.443 0.871 -10.344 1.00 0.00 C ATOM 207 CG LEU A 41 1.794 -0.259 -9.376 1.00 0.00 C ATOM 208 CD1 LEU A 41 2.268 -1.488 -10.137 1.00 0.00 C ATOM 209 CD2 LEU A 41 2.852 0.197 -8.383 1.00 0.00 C ATOM 0 H LEU A 41 0.483 -0.166 -12.603 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.678 0.713 -10.026 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.112 0.808 -11.202 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.646 1.821 -9.850 1.00 0.00 H new ATOM 0 HG LEU A 41 0.895 -0.526 -8.820 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.513 -2.281 -9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.478 -1.829 -10.806 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.153 -1.236 -10.721 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.089 -0.621 -7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.752 0.493 -8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.474 1.046 -7.813 1.00 0.00 H new ATOM 221 N THR A 42 -1.598 2.612 -11.462 1.00 0.00 N ATOM 222 CA THR A 42 -2.037 3.888 -12.013 1.00 0.00 C ATOM 223 C THR A 42 -1.684 5.041 -11.078 1.00 0.00 C ATOM 224 O THR A 42 -1.491 4.860 -9.877 1.00 0.00 O ATOM 225 CB THR A 42 -3.554 3.899 -12.274 1.00 0.00 C ATOM 226 OG1 THR A 42 -4.257 3.718 -11.038 1.00 0.00 O ATOM 227 CG2 THR A 42 -3.937 2.784 -13.237 1.00 0.00 C ATOM 0 H THR A 42 -2.351 2.030 -11.094 1.00 0.00 H new ATOM 0 HA THR A 42 -1.514 4.018 -12.961 1.00 0.00 H new ATOM 0 HB THR A 42 -3.824 4.858 -12.716 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.212 3.885 -11.178 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.013 2.806 -13.410 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.414 2.925 -14.183 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.659 1.821 -12.808 1.00 0.00 H new ATOM 235 N PRO A 43 -1.598 6.255 -11.643 1.00 0.00 N ATOM 236 CA PRO A 43 -1.399 7.478 -10.861 1.00 0.00 C ATOM 237 C PRO A 43 -2.557 7.751 -9.908 1.00 0.00 C ATOM 238 O PRO A 43 -2.401 8.462 -8.915 1.00 0.00 O ATOM 239 CB PRO A 43 -1.263 8.576 -11.920 1.00 0.00 C ATOM 240 CG PRO A 43 -1.980 8.034 -13.109 1.00 0.00 C ATOM 241 CD PRO A 43 -1.715 6.552 -13.095 1.00 0.00 C ATOM 0 HA PRO A 43 -0.526 7.412 -10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.706 9.512 -11.581 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.217 8.782 -12.147 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.048 8.243 -13.052 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.615 8.490 -14.029 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.526 5.991 -13.559 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.803 6.299 -13.635 1.00 0.00 H new ATOM 249 N GLN A 44 -3.718 7.184 -10.217 1.00 0.00 N ATOM 250 CA GLN A 44 -4.886 7.313 -9.352 1.00 0.00 C ATOM 251 C GLN A 44 -4.793 6.359 -8.164 1.00 0.00 C ATOM 252 O GLN A 44 -5.089 6.735 -7.030 1.00 0.00 O ATOM 253 CB GLN A 44 -6.171 7.040 -10.138 1.00 0.00 C ATOM 254 CG GLN A 44 -7.445 7.234 -9.335 1.00 0.00 C ATOM 255 CD GLN A 44 -8.693 7.008 -10.168 1.00 0.00 C ATOM 256 OE1 GLN A 44 -8.613 6.666 -11.351 1.00 0.00 O ATOM 257 NE2 GLN A 44 -9.856 7.200 -9.554 1.00 0.00 N ATOM 0 H GLN A 44 -3.876 6.631 -11.059 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.911 8.336 -8.976 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.199 7.698 -11.007 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.144 6.017 -10.513 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.446 6.547 -8.489 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.463 8.244 -8.925 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.875 7.483 -8.574 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.730 7.065 -10.063 1.00 0.00 H new ATOM 266 N GLU A 45 -4.381 5.123 -8.434 1.00 0.00 N ATOM 267 CA GLU A 45 -4.287 4.107 -7.396 1.00 0.00 C ATOM 268 C GLU A 45 -3.159 4.428 -6.421 1.00 0.00 C ATOM 269 O GLU A 45 -3.276 4.189 -5.218 1.00 0.00 O ATOM 270 CB GLU A 45 -4.075 2.724 -8.016 1.00 0.00 C ATOM 271 CG GLU A 45 -5.320 2.118 -8.645 1.00 0.00 C ATOM 272 CD GLU A 45 -5.000 0.844 -9.376 1.00 0.00 C ATOM 273 OE1 GLU A 45 -3.845 0.498 -9.450 1.00 0.00 O ATOM 274 OE2 GLU A 45 -5.917 0.158 -9.764 1.00 0.00 O ATOM 0 H GLU A 45 -4.108 4.803 -9.363 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.226 4.101 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.297 2.796 -8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.706 2.047 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.061 1.919 -7.871 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.766 2.834 -9.336 1.00 0.00 H new ATOM 281 N LEU A 46 -2.064 4.966 -6.948 1.00 0.00 N ATOM 282 CA LEU A 46 -0.900 5.288 -6.130 1.00 0.00 C ATOM 283 C LEU A 46 -1.184 6.484 -5.226 1.00 0.00 C ATOM 284 O LEU A 46 -0.787 6.499 -4.061 1.00 0.00 O ATOM 285 CB LEU A 46 0.315 5.568 -7.024 1.00 0.00 C ATOM 286 CG LEU A 46 0.906 4.338 -7.727 1.00 0.00 C ATOM 287 CD1 LEU A 46 1.994 4.767 -8.702 1.00 0.00 C ATOM 288 CD2 LEU A 46 1.461 3.376 -6.687 1.00 0.00 C ATOM 0 H LEU A 46 -1.958 5.188 -7.938 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.679 4.430 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.028 6.297 -7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.094 6.029 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 46 0.124 3.830 -8.291 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.407 3.888 -9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.569 5.437 -9.450 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.786 5.284 -8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.881 2.503 -7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.241 3.874 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.660 3.061 -6.018 1.00 0.00 H new ATOM 300 N GLU A 47 -1.871 7.481 -5.769 1.00 0.00 N ATOM 301 CA GLU A 47 -2.125 8.721 -5.043 1.00 0.00 C ATOM 302 C GLU A 47 -3.146 8.499 -3.932 1.00 0.00 C ATOM 303 O GLU A 47 -3.003 9.023 -2.827 1.00 0.00 O ATOM 304 CB GLU A 47 -2.610 9.814 -5.996 1.00 0.00 C ATOM 305 CG GLU A 47 -1.510 10.449 -6.836 1.00 0.00 C ATOM 306 CD GLU A 47 -2.078 11.398 -7.854 1.00 0.00 C ATOM 307 OE1 GLU A 47 -3.280 11.499 -7.939 1.00 0.00 O ATOM 308 OE2 GLU A 47 -1.316 12.104 -8.471 1.00 0.00 O ATOM 0 H GLU A 47 -2.263 7.456 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.188 9.045 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.361 9.391 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.103 10.594 -5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.816 10.982 -6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.940 9.670 -7.341 1.00 0.00 H new ATOM 315 N LEU A 48 -4.180 7.720 -4.233 1.00 0.00 N ATOM 316 CA LEU A 48 -5.224 7.421 -3.258 1.00 0.00 C ATOM 317 C LEU A 48 -4.677 6.569 -2.118 1.00 0.00 C ATOM 318 O LEU A 48 -5.222 6.565 -1.014 1.00 0.00 O ATOM 319 CB LEU A 48 -6.391 6.701 -3.935 1.00 0.00 C ATOM 320 CG LEU A 48 -6.250 5.184 -4.076 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.590 4.493 -2.764 1.00 0.00 C ATOM 322 CD2 LEU A 48 -7.139 4.669 -5.199 1.00 0.00 C ATOM 0 H LEU A 48 -4.318 7.284 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.580 8.364 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.299 6.911 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.528 7.127 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.214 4.955 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.484 3.415 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.913 4.840 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.617 4.728 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.026 3.588 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.179 4.909 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.849 5.140 -6.138 1.00 0.00 H new ATOM 334 N PHE A 49 -3.592 5.849 -2.391 1.00 0.00 N ATOM 335 CA PHE A 49 -2.919 5.062 -1.366 1.00 0.00 C ATOM 336 C PHE A 49 -2.242 5.968 -0.342 1.00 0.00 C ATOM 337 O PHE A 49 -2.536 5.905 0.852 1.00 0.00 O ATOM 338 CB PHE A 49 -1.892 4.121 -2.000 1.00 0.00 C ATOM 339 CG PHE A 49 -1.150 3.274 -1.007 1.00 0.00 C ATOM 340 CD1 PHE A 49 -1.691 2.080 -0.551 1.00 0.00 C ATOM 341 CD2 PHE A 49 0.087 3.669 -0.523 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.010 1.300 0.365 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.771 2.890 0.391 1.00 0.00 C ATOM 344 CZ PHE A 49 0.222 1.704 0.835 1.00 0.00 C ATOM 0 H PHE A 49 -3.161 5.795 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.671 4.464 -0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.401 3.469 -2.711 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.173 4.712 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.655 1.757 -0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.522 4.597 -0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.443 0.374 0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.735 3.209 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.756 1.094 1.549 1.00 0.00 H new ATOM 354 N LYS A 50 -1.331 6.812 -0.818 1.00 0.00 N ATOM 355 CA LYS A 50 -0.623 7.744 0.053 1.00 0.00 C ATOM 356 C LYS A 50 -1.582 8.768 0.649 1.00 0.00 C ATOM 357 O LYS A 50 -1.336 9.309 1.728 1.00 0.00 O ATOM 358 CB LYS A 50 0.496 8.451 -0.716 1.00 0.00 C ATOM 359 CG LYS A 50 0.008 9.427 -1.777 1.00 0.00 C ATOM 360 CD LYS A 50 1.174 10.093 -2.493 1.00 0.00 C ATOM 361 CE LYS A 50 0.688 11.094 -3.531 1.00 0.00 C ATOM 362 NZ LYS A 50 1.818 11.737 -4.256 1.00 0.00 N ATOM 0 H LYS A 50 -1.066 6.869 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.181 7.173 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.125 8.989 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.125 7.699 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.613 8.900 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.619 10.188 -1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.808 10.600 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.788 9.333 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.039 10.589 -4.246 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.087 11.861 -3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.444 12.412 -4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.424 12.241 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.377 11.008 -4.744 1.00 0.00 H new ATOM 376 N ARG A 51 -2.677 9.028 -0.057 1.00 0.00 N ATOM 377 CA ARG A 51 -3.757 9.849 0.480 1.00 0.00 C ATOM 378 C ARG A 51 -4.396 9.179 1.692 1.00 0.00 C ATOM 379 O ARG A 51 -4.605 9.813 2.727 1.00 0.00 O ATOM 380 CB ARG A 51 -4.792 10.201 -0.578 1.00 0.00 C ATOM 381 CG ARG A 51 -5.923 11.094 -0.093 1.00 0.00 C ATOM 382 CD ARG A 51 -6.898 11.475 -1.148 1.00 0.00 C ATOM 383 NE ARG A 51 -7.990 12.315 -0.683 1.00 0.00 N ATOM 384 CZ ARG A 51 -8.992 12.767 -1.462 1.00 0.00 C ATOM 385 NH1 ARG A 51 -9.026 12.495 -2.748 1.00 0.00 N ATOM 386 NH2 ARG A 51 -9.929 13.513 -0.904 1.00 0.00 N ATOM 0 H ARG A 51 -2.841 8.682 -1.003 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.318 10.791 0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.288 10.696 -1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.219 9.278 -0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.455 10.583 0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.496 12.001 0.335 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.368 11.998 -1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.315 10.568 -1.585 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.998 12.581 0.302 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.286 11.934 -3.170 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.792 12.845 -3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.881 13.732 0.091 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.700 13.870 -1.468 1.00 0.00 H new ATOM 400 N ALA A 52 -4.708 7.895 1.555 1.00 0.00 N ATOM 401 CA ALA A 52 -5.306 7.134 2.646 1.00 0.00 C ATOM 402 C ALA A 52 -4.334 6.990 3.813 1.00 0.00 C ATOM 403 O ALA A 52 -4.730 7.069 4.976 1.00 0.00 O ATOM 404 CB ALA A 52 -5.747 5.764 2.153 1.00 0.00 C ATOM 0 H ALA A 52 -4.557 7.360 0.700 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.180 7.680 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.192 5.206 2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.482 5.883 1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.884 5.220 1.771 1.00 0.00 H new ATOM 410 N MET A 53 -3.062 6.780 3.495 1.00 0.00 N ATOM 411 CA MET A 53 -2.048 6.538 4.515 1.00 0.00 C ATOM 412 C MET A 53 -1.554 7.852 5.113 1.00 0.00 C ATOM 413 O MET A 53 -0.886 7.864 6.145 1.00 0.00 O ATOM 414 CB MET A 53 -0.881 5.749 3.926 1.00 0.00 C ATOM 415 CG MET A 53 -1.238 4.343 3.469 1.00 0.00 C ATOM 416 SD MET A 53 -1.801 3.293 4.824 1.00 0.00 S ATOM 417 CE MET A 53 -2.189 1.783 3.943 1.00 0.00 C ATOM 0 H MET A 53 -2.708 6.772 2.538 1.00 0.00 H new ATOM 0 HA MET A 53 -2.501 5.950 5.314 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.476 6.301 3.078 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.089 5.685 4.672 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.018 4.399 2.710 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.367 3.886 2.998 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.052 1.304 4.405 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.417 2.017 2.903 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.334 1.108 3.984 1.00 0.00 H new ATOM 427 N GLY A 54 -1.888 8.959 4.454 1.00 0.00 N ATOM 428 CA GLY A 54 -1.510 10.265 4.961 1.00 0.00 C ATOM 429 C GLY A 54 -0.011 10.491 4.922 1.00 0.00 C ATOM 430 O GLY A 54 0.555 11.090 5.836 1.00 0.00 O ATOM 0 H GLY A 54 -2.413 8.974 3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.006 11.037 4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.863 10.369 5.987 1.00 0.00 H new ATOM 434 N ILE A 55 0.631 10.009 3.864 1.00 0.00 N ATOM 435 CA ILE A 55 2.087 10.002 3.793 1.00 0.00 C ATOM 436 C ILE A 55 2.631 11.404 3.533 1.00 0.00 C ATOM 437 O ILE A 55 2.250 12.059 2.562 1.00 0.00 O ATOM 438 CB ILE A 55 2.594 9.052 2.693 1.00 0.00 C ATOM 439 CG1 ILE A 55 2.164 7.613 2.991 1.00 0.00 C ATOM 440 CG2 ILE A 55 4.107 9.144 2.567 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.470 6.640 1.874 1.00 0.00 C ATOM 0 H ILE A 55 0.166 9.618 3.044 1.00 0.00 H new ATOM 0 HA ILE A 55 2.448 9.648 4.759 1.00 0.00 H new ATOM 0 HB ILE A 55 2.152 9.353 1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.662 7.276 3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.092 7.598 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.449 8.466 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.389 10.165 2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.569 8.867 3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.136 5.642 2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.950 6.951 0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.544 6.624 1.689 1.00 0.00 H new ATOM 453 N THR A 56 3.526 11.857 4.405 1.00 0.00 N ATOM 454 CA THR A 56 4.104 13.189 4.284 1.00 0.00 C ATOM 455 C THR A 56 5.496 13.131 3.667 1.00 0.00 C ATOM 456 O THR A 56 6.172 12.103 3.696 1.00 0.00 O ATOM 457 CB THR A 56 4.187 13.894 5.652 1.00 0.00 C ATOM 458 OG1 THR A 56 5.132 13.212 6.486 1.00 0.00 O ATOM 459 CG2 THR A 56 2.827 13.900 6.333 1.00 0.00 C ATOM 0 H THR A 56 3.866 11.321 5.203 1.00 0.00 H new ATOM 0 HA THR A 56 3.445 13.761 3.631 1.00 0.00 H new ATOM 0 HB THR A 56 4.507 14.924 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.210 12.279 6.197 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.905 14.402 7.297 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.109 14.428 5.706 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.491 12.874 6.484 1.00 0.00 H new ATOM 467 N PRO A 57 5.937 14.261 3.093 1.00 0.00 N ATOM 468 CA PRO A 57 7.277 14.381 2.511 1.00 0.00 C ATOM 469 C PRO A 57 8.378 14.142 3.538 1.00 0.00 C ATOM 470 O PRO A 57 9.522 13.853 3.180 1.00 0.00 O ATOM 471 CB PRO A 57 7.312 15.810 1.962 1.00 0.00 C ATOM 472 CG PRO A 57 6.248 16.526 2.719 1.00 0.00 C ATOM 473 CD PRO A 57 5.157 15.510 2.932 1.00 0.00 C ATOM 0 HA PRO A 57 7.460 13.631 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.288 16.271 2.116 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.117 15.828 0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.627 16.901 3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.880 17.387 2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.556 15.734 3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.474 15.459 2.084 1.00 0.00 H new ATOM 481 N HIS A 58 8.028 14.263 4.814 1.00 0.00 N ATOM 482 CA HIS A 58 8.961 13.964 5.895 1.00 0.00 C ATOM 483 C HIS A 58 9.248 12.467 5.966 1.00 0.00 C ATOM 484 O HIS A 58 10.401 12.050 6.071 1.00 0.00 O ATOM 485 CB HIS A 58 8.416 14.459 7.239 1.00 0.00 C ATOM 486 CG HIS A 58 9.298 14.136 8.403 1.00 0.00 C ATOM 487 ND1 HIS A 58 10.503 14.773 8.623 1.00 0.00 N ATOM 488 CD2 HIS A 58 9.155 13.244 9.411 1.00 0.00 C ATOM 489 CE1 HIS A 58 11.060 14.285 9.718 1.00 0.00 C ATOM 490 NE2 HIS A 58 10.262 13.357 10.213 1.00 0.00 N ATOM 0 H HIS A 58 7.105 14.566 5.125 1.00 0.00 H new ATOM 0 HA HIS A 58 9.893 14.488 5.684 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.277 15.539 7.189 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.433 14.019 7.406 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.324 12.569 9.557 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.007 14.593 10.136 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.440 12.812 11.056 1.00 0.00 H new ATOM 498 N ASN A 59 8.190 11.664 5.912 1.00 0.00 N ATOM 499 CA ASN A 59 8.325 10.214 6.006 1.00 0.00 C ATOM 500 C ASN A 59 7.983 9.550 4.677 1.00 0.00 C ATOM 501 O ASN A 59 7.666 8.360 4.630 1.00 0.00 O ATOM 502 CB ASN A 59 7.463 9.646 7.118 1.00 0.00 C ATOM 503 CG ASN A 59 5.988 9.856 6.908 1.00 0.00 C ATOM 504 OD1 ASN A 59 5.566 10.541 5.967 1.00 0.00 O ATOM 505 ND2 ASN A 59 5.209 9.341 7.824 1.00 0.00 N ATOM 0 H ASN A 59 7.230 11.992 5.804 1.00 0.00 H new ATOM 0 HA ASN A 59 9.366 9.998 6.245 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.660 8.578 7.208 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.755 10.105 8.063 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.202 9.497 7.783 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.609 8.784 8.579 1.00 0.00 H new ATOM 512 N TYR A 60 8.049 10.323 3.599 1.00 0.00 N ATOM 513 CA TYR A 60 7.793 9.797 2.264 1.00 0.00 C ATOM 514 C TYR A 60 8.845 8.763 1.877 1.00 0.00 C ATOM 515 O TYR A 60 8.515 7.653 1.455 1.00 0.00 O ATOM 516 CB TYR A 60 7.766 10.932 1.238 1.00 0.00 C ATOM 517 CG TYR A 60 7.454 10.477 -0.171 1.00 0.00 C ATOM 518 CD1 TYR A 60 6.146 10.249 -0.573 1.00 0.00 C ATOM 519 CD2 TYR A 60 8.469 10.279 -1.095 1.00 0.00 C ATOM 520 CE1 TYR A 60 5.856 9.833 -1.858 1.00 0.00 C ATOM 521 CE2 TYR A 60 8.190 9.864 -2.383 1.00 0.00 C ATOM 522 CZ TYR A 60 6.882 9.641 -2.761 1.00 0.00 C ATOM 523 OH TYR A 60 6.599 9.228 -4.043 1.00 0.00 O ATOM 0 H TYR A 60 8.278 11.317 3.624 1.00 0.00 H new ATOM 0 HA TYR A 60 6.818 9.309 2.274 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.023 11.668 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.733 11.435 1.241 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.341 10.399 0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.494 10.452 -0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.832 9.659 -2.154 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.992 9.715 -3.091 1.00 0.00 H new ATOM 0 HH TYR A 60 7.433 9.142 -4.551 1.00 0.00 H new ATOM 533 N TRP A 61 10.112 9.133 2.021 1.00 0.00 N ATOM 534 CA TRP A 61 11.214 8.233 1.703 1.00 0.00 C ATOM 535 C TRP A 61 11.214 7.024 2.633 1.00 0.00 C ATOM 536 O TRP A 61 11.686 5.950 2.268 1.00 0.00 O ATOM 537 CB TRP A 61 12.552 8.970 1.798 1.00 0.00 C ATOM 538 CG TRP A 61 12.903 9.397 3.191 1.00 0.00 C ATOM 539 CD1 TRP A 61 12.618 10.594 3.773 1.00 0.00 C ATOM 540 CD2 TRP A 61 13.603 8.626 4.176 1.00 0.00 C ATOM 541 NE1 TRP A 61 13.099 10.622 5.060 1.00 0.00 N ATOM 542 CE2 TRP A 61 13.706 9.423 5.331 1.00 0.00 C ATOM 543 CE3 TRP A 61 14.152 7.339 4.192 1.00 0.00 C ATOM 544 CZ2 TRP A 61 14.334 8.980 6.485 1.00 0.00 C ATOM 545 CZ3 TRP A 61 14.780 6.895 5.350 1.00 0.00 C ATOM 546 CH2 TRP A 61 14.867 7.691 6.463 1.00 0.00 C ATOM 0 H TRP A 61 10.402 10.052 2.356 1.00 0.00 H new ATOM 0 HA TRP A 61 11.078 7.881 0.680 1.00 0.00 H new ATOM 0 HB2 TRP A 61 13.342 8.323 1.415 1.00 0.00 H new ATOM 0 HB3 TRP A 61 12.520 9.849 1.154 1.00 0.00 H new ATOM 0 HD1 TRP A 61 12.090 11.405 3.293 1.00 0.00 H new ATOM 0 HE1 TRP A 61 13.018 11.406 5.707 1.00 0.00 H new ATOM 0 HE3 TRP A 61 14.089 6.703 3.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 14.407 9.605 7.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 15.208 5.904 5.373 1.00 0.00 H new ATOM 0 HH2 TRP A 61 15.361 7.310 7.345 1.00 0.00 H new ATOM 557 N GLN A 62 10.681 7.211 3.836 1.00 0.00 N ATOM 558 CA GLN A 62 10.543 6.114 4.788 1.00 0.00 C ATOM 559 C GLN A 62 9.533 5.086 4.291 1.00 0.00 C ATOM 560 O GLN A 62 9.762 3.880 4.386 1.00 0.00 O ATOM 561 CB GLN A 62 10.116 6.644 6.159 1.00 0.00 C ATOM 562 CG GLN A 62 11.188 7.440 6.883 1.00 0.00 C ATOM 563 CD GLN A 62 10.719 7.952 8.231 1.00 0.00 C ATOM 564 OE1 GLN A 62 9.570 7.735 8.628 1.00 0.00 O ATOM 565 NE2 GLN A 62 11.604 8.639 8.943 1.00 0.00 N ATOM 0 H GLN A 62 10.338 8.110 4.175 1.00 0.00 H new ATOM 0 HA GLN A 62 11.514 5.628 4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.235 7.273 6.034 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.820 5.802 6.785 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.069 6.814 7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.491 8.284 6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.543 8.795 8.576 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.345 9.011 9.857 1.00 0.00 H new ATOM 574 N TRP A 63 8.414 5.570 3.763 1.00 0.00 N ATOM 575 CA TRP A 63 7.421 4.699 3.144 1.00 0.00 C ATOM 576 C TRP A 63 7.957 4.100 1.848 1.00 0.00 C ATOM 577 O TRP A 63 7.693 2.939 1.535 1.00 0.00 O ATOM 578 CB TRP A 63 6.133 5.476 2.867 1.00 0.00 C ATOM 579 CG TRP A 63 5.154 5.424 4.001 1.00 0.00 C ATOM 580 CD1 TRP A 63 5.079 6.285 5.058 1.00 0.00 C ATOM 581 CD2 TRP A 63 4.114 4.460 4.192 1.00 0.00 C ATOM 582 NE1 TRP A 63 4.052 5.915 5.895 1.00 0.00 N ATOM 583 CE2 TRP A 63 3.445 4.797 5.385 1.00 0.00 C ATOM 584 CE3 TRP A 63 3.681 3.343 3.470 1.00 0.00 C ATOM 585 CZ2 TRP A 63 2.368 4.059 5.870 1.00 0.00 C ATOM 586 CZ3 TRP A 63 2.614 2.612 3.953 1.00 0.00 C ATOM 587 CH2 TRP A 63 1.968 2.971 5.142 1.00 0.00 C ATOM 0 H TRP A 63 8.172 6.561 3.751 1.00 0.00 H new ATOM 0 HA TRP A 63 7.204 3.886 3.837 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.382 6.516 2.659 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.661 5.075 1.970 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.730 7.132 5.214 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.786 6.394 6.755 1.00 0.00 H new ATOM 0 HE3 TRP A 63 4.172 3.058 2.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.867 4.335 6.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.271 1.748 3.404 1.00 0.00 H new ATOM 0 HH2 TRP A 63 1.137 2.377 5.492 1.00 0.00 H new ATOM 598 N ALA A 64 8.708 4.898 1.097 1.00 0.00 N ATOM 599 CA ALA A 64 9.299 4.439 -0.153 1.00 0.00 C ATOM 600 C ALA A 64 10.198 3.228 0.076 1.00 0.00 C ATOM 601 O ALA A 64 10.313 2.357 -0.785 1.00 0.00 O ATOM 602 CB ALA A 64 10.083 5.564 -0.811 1.00 0.00 C ATOM 0 H ALA A 64 8.922 5.867 1.333 1.00 0.00 H new ATOM 0 HA ALA A 64 8.490 4.137 -0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.519 5.206 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.415 6.400 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.878 5.893 -0.142 1.00 0.00 H new ATOM 608 N SER A 65 10.834 3.182 1.243 1.00 0.00 N ATOM 609 CA SER A 65 11.723 2.078 1.586 1.00 0.00 C ATOM 610 C SER A 65 10.938 0.780 1.747 1.00 0.00 C ATOM 611 O SER A 65 11.321 -0.260 1.211 1.00 0.00 O ATOM 612 CB SER A 65 12.488 2.396 2.856 1.00 0.00 C ATOM 613 OG SER A 65 13.342 1.351 3.232 1.00 0.00 O ATOM 0 H SER A 65 10.750 3.896 1.966 1.00 0.00 H new ATOM 0 HA SER A 65 12.436 1.945 0.772 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.071 3.305 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.783 2.596 3.663 1.00 0.00 H new ATOM 0 HG SER A 65 13.817 1.596 4.053 1.00 0.00 H new ATOM 619 N ARG A 66 9.837 0.847 2.490 1.00 0.00 N ATOM 620 CA ARG A 66 9.069 -0.343 2.825 1.00 0.00 C ATOM 621 C ARG A 66 8.163 -0.753 1.667 1.00 0.00 C ATOM 622 O ARG A 66 7.809 -1.924 1.525 1.00 0.00 O ATOM 623 CB ARG A 66 8.281 -0.174 4.117 1.00 0.00 C ATOM 624 CG ARG A 66 7.093 0.771 4.022 1.00 0.00 C ATOM 625 CD ARG A 66 6.103 0.621 5.119 1.00 0.00 C ATOM 626 NE ARG A 66 6.646 0.824 6.453 1.00 0.00 N ATOM 627 CZ ARG A 66 6.711 2.015 7.079 1.00 0.00 C ATOM 628 NH1 ARG A 66 6.304 3.115 6.486 1.00 0.00 N ATOM 629 NH2 ARG A 66 7.217 2.052 8.300 1.00 0.00 N ATOM 0 H ARG A 66 9.458 1.714 2.871 1.00 0.00 H new ATOM 0 HA ARG A 66 9.782 -1.150 2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.924 -1.152 4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.955 0.190 4.892 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.460 1.797 4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.589 0.608 3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.292 1.331 4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.668 -0.377 5.065 1.00 0.00 H new ATOM 0 HE ARG A 66 7.003 0.007 6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.932 3.075 5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.360 4.009 6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.545 1.193 8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.279 2.939 8.800 1.00 0.00 H new ATOM 643 N THR A 67 7.796 0.220 0.839 1.00 0.00 N ATOM 644 CA THR A 67 6.887 -0.028 -0.275 1.00 0.00 C ATOM 645 C THR A 67 7.656 -0.383 -1.541 1.00 0.00 C ATOM 646 O THR A 67 7.069 -0.542 -2.612 1.00 0.00 O ATOM 647 CB THR A 67 5.990 1.192 -0.557 1.00 0.00 C ATOM 648 OG1 THR A 67 6.808 2.331 -0.853 1.00 0.00 O ATOM 649 CG2 THR A 67 5.116 1.500 0.650 1.00 0.00 C ATOM 0 H THR A 67 8.113 1.186 0.918 1.00 0.00 H new ATOM 0 HA THR A 67 6.257 -0.869 0.014 1.00 0.00 H new ATOM 0 HB THR A 67 5.349 0.965 -1.409 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.067 2.773 -0.018 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.489 2.365 0.434 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.484 0.640 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.748 1.717 1.511 1.00 0.00 H new ATOM 657 N ASN A 68 8.973 -0.508 -1.415 1.00 0.00 N ATOM 658 CA ASN A 68 9.824 -0.828 -2.554 1.00 0.00 C ATOM 659 C ASN A 68 9.590 0.150 -3.701 1.00 0.00 C ATOM 660 O ASN A 68 9.233 -0.248 -4.810 1.00 0.00 O ATOM 661 CB ASN A 68 9.608 -2.255 -3.026 1.00 0.00 C ATOM 662 CG ASN A 68 10.664 -2.743 -3.979 1.00 0.00 C ATOM 663 OD1 ASN A 68 11.749 -2.160 -4.088 1.00 0.00 O ATOM 664 ND2 ASN A 68 10.321 -3.760 -4.728 1.00 0.00 N ATOM 0 H ASN A 68 9.474 -0.392 -0.534 1.00 0.00 H new ATOM 0 HA ASN A 68 10.858 -0.735 -2.223 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.581 -2.915 -2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.634 -2.325 -3.510 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.962 -4.106 -5.442 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.413 -4.206 -4.598 1.00 0.00 H new ATOM 671 N ASN A 69 9.794 1.435 -3.426 1.00 0.00 N ATOM 672 CA ASN A 69 9.561 2.476 -4.421 1.00 0.00 C ATOM 673 C ASN A 69 8.082 2.556 -4.789 1.00 0.00 C ATOM 674 O ASN A 69 7.730 2.827 -5.937 1.00 0.00 O ATOM 675 CB ASN A 69 10.403 2.255 -5.664 1.00 0.00 C ATOM 676 CG ASN A 69 10.622 3.501 -6.477 1.00 0.00 C ATOM 677 OD1 ASN A 69 10.630 4.618 -5.947 1.00 0.00 O ATOM 678 ND2 ASN A 69 10.718 3.323 -7.770 1.00 0.00 N ATOM 0 H ASN A 69 10.120 1.780 -2.523 1.00 0.00 H new ATOM 0 HA ASN A 69 9.860 3.425 -3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.371 1.850 -5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.921 1.504 -6.290 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.804 4.128 -8.391 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.706 2.379 -8.157 1.00 0.00 H new ATOM 685 N PHE A 70 7.220 2.319 -3.805 1.00 0.00 N ATOM 686 CA PHE A 70 5.780 2.327 -4.033 1.00 0.00 C ATOM 687 C PHE A 70 5.413 1.453 -5.230 1.00 0.00 C ATOM 688 O PHE A 70 4.547 1.806 -6.028 1.00 0.00 O ATOM 689 CB PHE A 70 5.278 3.755 -4.250 1.00 0.00 C ATOM 690 CG PHE A 70 5.398 4.630 -3.035 1.00 0.00 C ATOM 691 CD1 PHE A 70 4.458 4.562 -2.017 1.00 0.00 C ATOM 692 CD2 PHE A 70 6.452 5.522 -2.904 1.00 0.00 C ATOM 693 CE1 PHE A 70 4.565 5.367 -0.900 1.00 0.00 C ATOM 694 CE2 PHE A 70 6.564 6.327 -1.785 1.00 0.00 C ATOM 695 CZ PHE A 70 5.620 6.250 -0.784 1.00 0.00 C ATOM 0 H PHE A 70 7.494 2.119 -2.843 1.00 0.00 H new ATOM 0 HA PHE A 70 5.297 1.917 -3.146 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.838 4.207 -5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.233 3.720 -4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.632 3.871 -2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.194 5.589 -3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.823 5.306 -0.117 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.391 7.016 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.705 6.879 0.090 1.00 0.00 H new ATOM 705 N LYS A 71 6.083 0.311 -5.347 1.00 0.00 N ATOM 706 CA LYS A 71 5.724 -0.687 -6.348 1.00 0.00 C ATOM 707 C LYS A 71 4.690 -1.664 -5.797 1.00 0.00 C ATOM 708 O LYS A 71 5.000 -2.828 -5.531 1.00 0.00 O ATOM 709 CB LYS A 71 6.970 -1.449 -6.808 1.00 0.00 C ATOM 710 CG LYS A 71 7.760 -0.728 -7.885 1.00 0.00 C ATOM 711 CD LYS A 71 7.225 -1.039 -9.273 1.00 0.00 C ATOM 712 CE LYS A 71 6.249 0.028 -9.743 1.00 0.00 C ATOM 713 NZ LYS A 71 5.878 -0.153 -11.174 1.00 0.00 N ATOM 0 H LYS A 71 6.877 0.054 -4.761 1.00 0.00 H new ATOM 0 HA LYS A 71 5.287 -0.169 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.618 -1.622 -5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.670 -2.427 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.717 0.347 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.809 -1.019 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.054 -1.111 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.729 -2.010 -9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.350 -0.005 -9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.694 1.014 -9.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.211 0.594 -11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.733 -0.096 -11.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.431 -1.083 -11.302 1.00 0.00 H new ATOM 727 N LEU A 72 3.462 -1.187 -5.628 1.00 0.00 N ATOM 728 CA LEU A 72 2.390 -2.012 -5.082 1.00 0.00 C ATOM 729 C LEU A 72 1.661 -2.764 -6.191 1.00 0.00 C ATOM 730 O LEU A 72 1.350 -2.198 -7.239 1.00 0.00 O ATOM 731 CB LEU A 72 1.404 -1.145 -4.288 1.00 0.00 C ATOM 732 CG LEU A 72 2.022 -0.347 -3.132 1.00 0.00 C ATOM 733 CD1 LEU A 72 0.991 0.607 -2.546 1.00 0.00 C ATOM 734 CD2 LEU A 72 2.536 -1.306 -2.069 1.00 0.00 C ATOM 0 H LEU A 72 3.184 -0.234 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 72 2.834 -2.746 -4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.924 -0.448 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.621 -1.788 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 72 2.859 0.243 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.439 1.169 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.655 1.299 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.139 0.038 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.975 -0.738 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.709 -1.909 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.293 -1.959 -2.504 1.00 0.00 H new ATOM 746 N LEU A 73 1.393 -4.044 -5.954 1.00 0.00 N ATOM 747 CA LEU A 73 0.621 -4.851 -6.892 1.00 0.00 C ATOM 748 C LEU A 73 -0.648 -5.384 -6.235 1.00 0.00 C ATOM 749 O LEU A 73 -0.692 -5.591 -5.022 1.00 0.00 O ATOM 750 CB LEU A 73 1.474 -6.007 -7.427 1.00 0.00 C ATOM 751 CG LEU A 73 2.701 -5.589 -8.245 1.00 0.00 C ATOM 752 CD1 LEU A 73 3.635 -6.778 -8.432 1.00 0.00 C ATOM 753 CD2 LEU A 73 2.252 -5.039 -9.591 1.00 0.00 C ATOM 0 H LEU A 73 1.699 -4.545 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 73 0.328 -4.216 -7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.808 -6.611 -6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.844 -6.645 -8.047 1.00 0.00 H new ATOM 0 HG LEU A 73 3.245 -4.809 -7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.503 -6.470 -9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.962 -7.141 -7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.109 -7.575 -8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.125 -4.742 -10.172 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.700 -5.807 -10.132 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.609 -4.173 -9.434 1.00 0.00 H new ATOM 765 N THR A 74 -1.679 -5.606 -7.044 1.00 0.00 N ATOM 766 CA THR A 74 -2.957 -6.090 -6.538 1.00 0.00 C ATOM 767 C THR A 74 -3.744 -6.807 -7.628 1.00 0.00 C ATOM 768 O THR A 74 -3.685 -6.432 -8.801 1.00 0.00 O ATOM 769 CB THR A 74 -3.813 -4.942 -5.973 1.00 0.00 C ATOM 770 OG1 THR A 74 -5.039 -5.469 -5.450 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.128 -3.925 -7.060 1.00 0.00 C ATOM 0 H THR A 74 -1.654 -5.458 -8.053 1.00 0.00 H new ATOM 0 HA THR A 74 -2.731 -6.791 -5.735 1.00 0.00 H new ATOM 0 HB THR A 74 -3.252 -4.449 -5.179 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.893 -5.791 -4.536 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.734 -3.121 -6.642 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.199 -3.512 -7.453 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.678 -4.412 -7.866 1.00 0.00 H new ATOM 779 N ASP A 75 -4.481 -7.841 -7.237 1.00 0.00 N ATOM 780 CA ASP A 75 -5.322 -8.578 -8.173 1.00 0.00 C ATOM 781 C ASP A 75 -6.505 -9.217 -7.452 1.00 0.00 C ATOM 782 O ASP A 75 -6.454 -10.384 -7.066 1.00 0.00 O ATOM 783 CB ASP A 75 -4.506 -9.649 -8.901 1.00 0.00 C ATOM 784 CG ASP A 75 -5.256 -10.357 -10.022 1.00 0.00 C ATOM 785 OD1 ASP A 75 -6.416 -10.074 -10.204 1.00 0.00 O ATOM 786 OD2 ASP A 75 -4.628 -11.054 -10.782 1.00 0.00 O ATOM 0 H ASP A 75 -4.513 -8.188 -6.278 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.707 -7.872 -8.909 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.610 -9.187 -9.315 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.175 -10.392 -8.176 1.00 0.00 H new ATOM 791 N GLY A 76 -7.571 -8.443 -7.272 1.00 0.00 N ATOM 792 CA GLY A 76 -8.746 -8.946 -6.584 1.00 0.00 C ATOM 793 C GLY A 76 -8.463 -9.301 -5.138 1.00 0.00 C ATOM 794 O GLY A 76 -9.229 -10.033 -4.512 1.00 0.00 O ATOM 0 H GLY A 76 -7.642 -7.477 -7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.535 -8.195 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.119 -9.828 -7.105 1.00 0.00 H new ATOM 798 N GLU A 77 -7.360 -8.783 -4.607 1.00 0.00 N ATOM 799 CA GLU A 77 -6.936 -9.114 -3.253 1.00 0.00 C ATOM 800 C GLU A 77 -6.402 -7.880 -2.532 1.00 0.00 C ATOM 801 O GLU A 77 -6.387 -6.782 -3.088 1.00 0.00 O ATOM 802 CB GLU A 77 -5.873 -10.215 -3.278 1.00 0.00 C ATOM 803 CG GLU A 77 -6.369 -11.558 -3.795 1.00 0.00 C ATOM 804 CD GLU A 77 -5.269 -12.582 -3.797 1.00 0.00 C ATOM 805 OE1 GLU A 77 -4.194 -12.275 -3.337 1.00 0.00 O ATOM 806 OE2 GLU A 77 -5.532 -13.705 -4.156 1.00 0.00 O ATOM 0 H GLU A 77 -6.744 -8.132 -5.095 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.806 -9.480 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.041 -9.885 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.483 -10.350 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.193 -11.908 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.760 -11.439 -4.805 1.00 0.00 H new ATOM 813 N TRP A 78 -5.965 -8.069 -1.292 1.00 0.00 N ATOM 814 CA TRP A 78 -5.281 -7.013 -0.553 1.00 0.00 C ATOM 815 C TRP A 78 -4.007 -6.584 -1.271 1.00 0.00 C ATOM 816 O TRP A 78 -3.307 -7.408 -1.861 1.00 0.00 O ATOM 817 CB TRP A 78 -4.951 -7.486 0.863 1.00 0.00 C ATOM 818 CG TRP A 78 -3.826 -8.476 0.912 1.00 0.00 C ATOM 819 CD1 TRP A 78 -3.393 -9.274 -0.108 1.00 0.00 C ATOM 820 CD2 TRP A 78 -2.994 -8.773 2.038 1.00 0.00 C ATOM 821 NE1 TRP A 78 -2.341 -10.049 0.317 1.00 0.00 N ATOM 822 CE2 TRP A 78 -2.075 -9.760 1.630 1.00 0.00 C ATOM 823 CE3 TRP A 78 -2.933 -8.298 3.352 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -1.112 -10.281 2.488 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -1.975 -8.817 4.203 1.00 0.00 C ATOM 826 CH2 TRP A 78 -1.076 -9.799 3.769 1.00 0.00 C ATOM 0 H TRP A 78 -6.072 -8.943 -0.777 1.00 0.00 H new ATOM 0 HA TRP A 78 -5.948 -6.153 -0.494 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.692 -6.622 1.476 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.840 -7.935 1.305 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -3.815 -9.293 -1.102 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -1.839 -10.730 -0.253 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.621 -7.540 3.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.418 -11.039 2.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -1.919 -8.459 5.220 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.339 -10.184 4.459 1.00 0.00 H new ATOM 837 N VAL A 79 -3.707 -5.290 -1.215 1.00 0.00 N ATOM 838 CA VAL A 79 -2.529 -4.749 -1.879 1.00 0.00 C ATOM 839 C VAL A 79 -1.248 -5.220 -1.201 1.00 0.00 C ATOM 840 O VAL A 79 -1.134 -5.182 0.024 1.00 0.00 O ATOM 841 CB VAL A 79 -2.551 -3.208 -1.901 1.00 0.00 C ATOM 842 CG1 VAL A 79 -1.279 -2.667 -2.537 1.00 0.00 C ATOM 843 CG2 VAL A 79 -3.774 -2.704 -2.651 1.00 0.00 C ATOM 0 H VAL A 79 -4.265 -4.597 -0.716 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.549 -5.118 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.604 -2.849 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.311 -1.577 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.415 -3.001 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.199 -3.035 -3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.774 -1.614 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.749 -3.072 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.677 -3.064 -2.158 1.00 0.00 H new ATOM 853 N TRP A 80 -0.290 -5.664 -2.004 1.00 0.00 N ATOM 854 CA TRP A 80 0.992 -6.127 -1.480 1.00 0.00 C ATOM 855 C TRP A 80 2.151 -5.408 -2.161 1.00 0.00 C ATOM 856 O TRP A 80 2.010 -4.901 -3.274 1.00 0.00 O ATOM 857 CB TRP A 80 1.129 -7.640 -1.666 1.00 0.00 C ATOM 858 CG TRP A 80 1.253 -8.059 -3.098 1.00 0.00 C ATOM 859 CD1 TRP A 80 2.392 -8.086 -3.845 1.00 0.00 C ATOM 860 CD2 TRP A 80 0.198 -8.510 -3.957 1.00 0.00 C ATOM 861 NE1 TRP A 80 2.115 -8.526 -5.116 1.00 0.00 N ATOM 862 CE2 TRP A 80 0.773 -8.794 -5.209 1.00 0.00 C ATOM 863 CE3 TRP A 80 -1.178 -8.702 -3.787 1.00 0.00 C ATOM 864 CZ2 TRP A 80 0.026 -9.255 -6.283 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -1.927 -9.165 -4.863 1.00 0.00 C ATOM 866 CH2 TRP A 80 -1.341 -9.435 -6.074 1.00 0.00 C ATOM 0 H TRP A 80 -0.374 -5.714 -3.019 1.00 0.00 H new ATOM 0 HA TRP A 80 1.024 -5.897 -0.415 1.00 0.00 H new ATOM 0 HB2 TRP A 80 2.005 -7.987 -1.117 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.261 -8.132 -1.226 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.371 -7.802 -3.489 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.796 -8.636 -5.868 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.649 -8.494 -2.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.483 -9.465 -7.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -2.990 -9.315 -4.743 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -1.954 -9.796 -6.886 1.00 0.00 H new ATOM 877 N VAL A 81 3.295 -5.370 -1.488 1.00 0.00 N ATOM 878 CA VAL A 81 4.495 -4.762 -2.052 1.00 0.00 C ATOM 879 C VAL A 81 5.237 -5.744 -2.951 1.00 0.00 C ATOM 880 O VAL A 81 5.577 -6.849 -2.532 1.00 0.00 O ATOM 881 CB VAL A 81 5.448 -4.267 -0.949 1.00 0.00 C ATOM 882 CG1 VAL A 81 6.718 -3.693 -1.561 1.00 0.00 C ATOM 883 CG2 VAL A 81 4.761 -3.226 -0.077 1.00 0.00 C ATOM 0 H VAL A 81 3.417 -5.753 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 81 4.168 -3.908 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 81 5.719 -5.117 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.381 -3.348 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.221 -4.464 -2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.463 -2.856 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.450 -2.888 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.461 -2.377 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.879 -3.666 0.389 1.00 0.00 H new ATOM 893 N GLU A 82 5.487 -5.330 -4.190 1.00 0.00 N ATOM 894 CA GLU A 82 6.243 -6.151 -5.130 1.00 0.00 C ATOM 895 C GLU A 82 7.584 -6.567 -4.534 1.00 0.00 C ATOM 896 O GLU A 82 8.334 -5.734 -4.024 1.00 0.00 O ATOM 897 CB GLU A 82 6.458 -5.400 -6.446 1.00 0.00 C ATOM 898 CG GLU A 82 7.207 -6.195 -7.506 1.00 0.00 C ATOM 899 CD GLU A 82 7.334 -5.413 -8.785 1.00 0.00 C ATOM 900 OE1 GLU A 82 6.798 -4.333 -8.855 1.00 0.00 O ATOM 901 OE2 GLU A 82 8.060 -5.843 -9.652 1.00 0.00 O ATOM 0 H GLU A 82 5.178 -4.433 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 82 5.664 -7.052 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.487 -5.107 -6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.008 -4.482 -6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.199 -6.455 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.683 -7.131 -7.700 1.00 0.00 H new ATOM 908 N GLY A 83 7.881 -7.862 -4.602 1.00 0.00 N ATOM 909 CA GLY A 83 9.096 -8.377 -3.997 1.00 0.00 C ATOM 910 C GLY A 83 8.832 -9.093 -2.689 1.00 0.00 C ATOM 911 O GLY A 83 9.704 -9.788 -2.166 1.00 0.00 O ATOM 0 H GLY A 83 7.302 -8.563 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.582 -9.062 -4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.789 -7.554 -3.824 1.00 0.00 H new ATOM 915 N TYR A 84 7.626 -8.926 -2.156 1.00 0.00 N ATOM 916 CA TYR A 84 7.224 -9.620 -0.940 1.00 0.00 C ATOM 917 C TYR A 84 6.041 -10.546 -1.208 1.00 0.00 C ATOM 918 O TYR A 84 5.141 -10.677 -0.379 1.00 0.00 O ATOM 919 CB TYR A 84 6.869 -8.616 0.160 1.00 0.00 C ATOM 920 CG TYR A 84 8.031 -7.754 0.600 1.00 0.00 C ATOM 921 CD1 TYR A 84 8.997 -8.251 1.464 1.00 0.00 C ATOM 922 CD2 TYR A 84 8.159 -6.447 0.155 1.00 0.00 C ATOM 923 CE1 TYR A 84 10.060 -7.469 1.869 1.00 0.00 C ATOM 924 CE2 TYR A 84 9.219 -5.655 0.555 1.00 0.00 C ATOM 925 CZ TYR A 84 10.168 -6.171 1.413 1.00 0.00 C ATOM 926 OH TYR A 84 11.225 -5.388 1.817 1.00 0.00 O ATOM 0 H TYR A 84 6.910 -8.315 -2.549 1.00 0.00 H new ATOM 0 HA TYR A 84 8.066 -10.225 -0.604 1.00 0.00 H new ATOM 0 HB2 TYR A 84 6.065 -7.971 -0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.484 -9.159 1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 84 8.916 -9.266 1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.417 -6.040 -0.516 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.804 -7.871 2.540 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.304 -4.639 0.198 1.00 0.00 H new ATOM 0 HH TYR A 84 11.152 -4.502 1.404 1.00 0.00 H new ATOM 936 N GLU A 85 6.052 -11.187 -2.372 1.00 0.00 N ATOM 937 CA GLU A 85 5.019 -12.156 -2.720 1.00 0.00 C ATOM 938 C GLU A 85 5.030 -13.336 -1.752 1.00 0.00 C ATOM 939 O GLU A 85 4.049 -14.070 -1.641 1.00 0.00 O ATOM 940 CB GLU A 85 5.205 -12.648 -4.156 1.00 0.00 C ATOM 941 CG GLU A 85 5.116 -11.555 -5.212 1.00 0.00 C ATOM 942 CD GLU A 85 6.418 -10.814 -5.342 1.00 0.00 C ATOM 943 OE1 GLU A 85 7.389 -11.253 -4.773 1.00 0.00 O ATOM 944 OE2 GLU A 85 6.470 -9.874 -6.099 1.00 0.00 O ATOM 0 H GLU A 85 6.764 -11.053 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 85 4.052 -11.659 -2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.176 -13.136 -4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.449 -13.404 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.848 -11.995 -6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.322 -10.856 -4.949 1.00 0.00 H new ATOM 951 N GLU A 86 6.148 -13.510 -1.054 1.00 0.00 N ATOM 952 CA GLU A 86 6.246 -14.522 -0.009 1.00 0.00 C ATOM 953 C GLU A 86 5.435 -14.117 1.219 1.00 0.00 C ATOM 954 O GLU A 86 5.269 -14.900 2.155 1.00 0.00 O ATOM 955 CB GLU A 86 7.708 -14.755 0.378 1.00 0.00 C ATOM 956 CG GLU A 86 8.478 -13.488 0.722 1.00 0.00 C ATOM 957 CD GLU A 86 9.263 -12.987 -0.458 1.00 0.00 C ATOM 958 OE1 GLU A 86 8.700 -12.883 -1.521 1.00 0.00 O ATOM 959 OE2 GLU A 86 10.394 -12.603 -0.274 1.00 0.00 O ATOM 0 H GLU A 86 6.998 -12.964 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 86 5.835 -15.452 -0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.741 -15.429 1.234 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.213 -15.260 -0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.783 -12.716 1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.154 -13.686 1.554 1.00 0.00 H new ATOM 966 N HIS A 87 4.930 -12.888 1.208 1.00 0.00 N ATOM 967 CA HIS A 87 4.158 -12.367 2.330 1.00 0.00 C ATOM 968 C HIS A 87 2.679 -12.267 1.972 1.00 0.00 C ATOM 969 O HIS A 87 1.890 -11.676 2.711 1.00 0.00 O ATOM 970 CB HIS A 87 4.689 -10.998 2.767 1.00 0.00 C ATOM 971 CG HIS A 87 6.063 -11.046 3.357 1.00 0.00 C ATOM 972 ND1 HIS A 87 6.747 -9.912 3.745 1.00 0.00 N ATOM 973 CD2 HIS A 87 6.883 -12.090 3.628 1.00 0.00 C ATOM 974 CE1 HIS A 87 7.927 -10.257 4.229 1.00 0.00 C ATOM 975 NE2 HIS A 87 8.034 -11.572 4.167 1.00 0.00 N ATOM 0 H HIS A 87 5.042 -12.234 0.434 1.00 0.00 H new ATOM 0 HA HIS A 87 4.267 -13.063 3.162 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.696 -10.329 1.906 1.00 0.00 H new ATOM 0 HB3 HIS A 87 4.004 -10.569 3.498 1.00 0.00 H new ATOM 0 HD2 HIS A 87 6.671 -13.134 3.453 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.676 -9.579 4.610 1.00 0.00 H new ATOM 0 HE2 HIS A 87 8.842 -12.115 4.471 1.00 0.00 H new ATOM 983 N ILE A 88 2.310 -12.843 0.833 1.00 0.00 N ATOM 984 CA ILE A 88 0.912 -12.903 0.426 1.00 0.00 C ATOM 985 C ILE A 88 0.183 -14.044 1.124 1.00 0.00 C ATOM 986 O ILE A 88 0.618 -15.194 1.077 1.00 0.00 O ATOM 987 CB ILE A 88 0.775 -13.075 -1.098 1.00 0.00 C ATOM 988 CG1 ILE A 88 1.373 -11.869 -1.828 1.00 0.00 C ATOM 989 CG2 ILE A 88 -0.684 -13.264 -1.484 1.00 0.00 C ATOM 990 CD1 ILE A 88 1.488 -12.055 -3.323 1.00 0.00 C ATOM 0 H ILE A 88 2.960 -13.275 0.176 1.00 0.00 H new ATOM 0 HA ILE A 88 0.459 -11.955 0.718 1.00 0.00 H new ATOM 0 HB ILE A 88 1.327 -13.966 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.757 -10.993 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.363 -11.663 -1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.762 -13.384 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.079 -14.152 -0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.258 -12.391 -1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.920 -11.159 -3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.129 -12.911 -3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.498 -12.230 -3.745 1.00 0.00 H new ATOM 1002 N GLY A 89 -0.931 -13.720 1.773 1.00 0.00 N ATOM 1003 CA GLY A 89 -1.682 -14.722 2.507 1.00 0.00 C ATOM 1004 C GLY A 89 -1.179 -14.902 3.926 1.00 0.00 C ATOM 1005 O GLY A 89 -1.606 -15.814 4.633 1.00 0.00 O ATOM 0 H GLY A 89 -1.327 -12.781 1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.734 -14.437 2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.622 -15.674 1.980 1.00 0.00 H new ATOM 1009 N LYS A 90 -0.266 -14.028 4.343 1.00 0.00 N ATOM 1010 CA LYS A 90 0.261 -14.064 5.702 1.00 0.00 C ATOM 1011 C LYS A 90 -0.441 -13.037 6.585 1.00 0.00 C ATOM 1012 O LYS A 90 -0.878 -11.991 6.106 1.00 0.00 O ATOM 1013 CB LYS A 90 1.770 -13.816 5.698 1.00 0.00 C ATOM 1014 CG LYS A 90 2.614 -15.071 5.524 1.00 0.00 C ATOM 1015 CD LYS A 90 2.716 -15.472 4.060 1.00 0.00 C ATOM 1016 CE LYS A 90 3.326 -16.856 3.905 1.00 0.00 C ATOM 1017 NZ LYS A 90 3.564 -17.203 2.478 1.00 0.00 N ATOM 0 H LYS A 90 0.123 -13.288 3.759 1.00 0.00 H new ATOM 0 HA LYS A 90 0.071 -15.056 6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.009 -13.118 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.049 -13.332 6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.612 -14.899 5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.176 -15.888 6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.725 -15.457 3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.323 -14.743 3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.268 -16.900 4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.663 -17.597 4.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.012 -18.140 2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.657 -17.219 1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.190 -16.493 2.048 1.00 0.00 H new ATOM 1031 N GLN A 91 -0.544 -13.344 7.873 1.00 0.00 N ATOM 1032 CA GLN A 91 -1.163 -12.432 8.827 1.00 0.00 C ATOM 1033 C GLN A 91 -0.104 -11.662 9.610 1.00 0.00 C ATOM 1034 O GLN A 91 0.363 -12.117 10.656 1.00 0.00 O ATOM 1035 CB GLN A 91 -2.067 -13.199 9.795 1.00 0.00 C ATOM 1036 CG GLN A 91 -2.854 -12.314 10.746 1.00 0.00 C ATOM 1037 CD GLN A 91 -3.835 -11.411 10.020 1.00 0.00 C ATOM 1038 OE1 GLN A 91 -4.556 -11.851 9.120 1.00 0.00 O ATOM 1039 NE2 GLN A 91 -3.865 -10.140 10.406 1.00 0.00 N ATOM 0 H GLN A 91 -0.207 -14.216 8.280 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.767 -11.720 8.265 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.766 -13.805 9.219 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -1.455 -13.886 10.379 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.397 -12.940 11.455 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.162 -11.703 11.325 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.251 -9.820 11.155 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.502 -9.485 9.954 1.00 0.00 H new ATOM 1048 N LEU A 92 0.272 -10.495 9.099 1.00 0.00 N ATOM 1049 CA LEU A 92 1.285 -9.667 9.744 1.00 0.00 C ATOM 1050 C LEU A 92 0.673 -8.376 10.277 1.00 0.00 C ATOM 1051 O LEU A 92 -0.259 -7.816 9.700 1.00 0.00 O ATOM 1052 CB LEU A 92 2.422 -9.356 8.763 1.00 0.00 C ATOM 1053 CG LEU A 92 3.156 -10.582 8.204 1.00 0.00 C ATOM 1054 CD1 LEU A 92 4.161 -10.151 7.146 1.00 0.00 C ATOM 1055 CD2 LEU A 92 3.849 -11.320 9.340 1.00 0.00 C ATOM 0 H LEU A 92 -0.110 -10.100 8.239 1.00 0.00 H new ATOM 0 HA LEU A 92 1.694 -10.222 10.588 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.015 -8.785 7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.148 -8.715 9.264 1.00 0.00 H new ATOM 0 HG LEU A 92 2.438 -11.255 7.736 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.677 -11.028 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.640 -9.645 6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.888 -9.471 7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.371 -12.191 8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.567 -10.655 9.821 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.107 -11.643 10.070 1.00 0.00 H new ATOM 1067 N PRO A 93 1.208 -7.889 11.408 1.00 0.00 N ATOM 1068 CA PRO A 93 0.802 -6.606 11.987 1.00 0.00 C ATOM 1069 C PRO A 93 0.989 -5.446 11.015 1.00 0.00 C ATOM 1070 O PRO A 93 1.878 -5.473 10.163 1.00 0.00 O ATOM 1071 CB PRO A 93 1.696 -6.461 13.223 1.00 0.00 C ATOM 1072 CG PRO A 93 2.107 -7.855 13.551 1.00 0.00 C ATOM 1073 CD PRO A 93 2.258 -8.549 12.223 1.00 0.00 C ATOM 0 HA PRO A 93 -0.260 -6.584 12.231 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.561 -5.831 13.016 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.157 -6.001 14.051 1.00 0.00 H new ATOM 0 HG2 PRO A 93 3.043 -7.868 14.110 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.359 -8.350 14.170 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.252 -8.407 11.799 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.096 -9.624 12.304 1.00 0.00 H new ATOM 1081 N LEU A 94 0.145 -4.428 11.147 1.00 0.00 N ATOM 1082 CA LEU A 94 0.165 -3.295 10.229 1.00 0.00 C ATOM 1083 C LEU A 94 1.555 -2.671 10.162 1.00 0.00 C ATOM 1084 O LEU A 94 1.968 -2.163 9.121 1.00 0.00 O ATOM 1085 CB LEU A 94 -0.874 -2.248 10.654 1.00 0.00 C ATOM 1086 CG LEU A 94 -2.337 -2.675 10.486 1.00 0.00 C ATOM 1087 CD1 LEU A 94 -3.259 -1.622 11.088 1.00 0.00 C ATOM 1088 CD2 LEU A 94 -2.642 -2.878 9.010 1.00 0.00 C ATOM 0 H LEU A 94 -0.561 -4.364 11.880 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.090 -3.658 9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.704 -1.995 11.700 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.709 -1.339 10.075 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.504 -3.616 11.010 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.296 -1.933 10.964 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.038 -1.509 12.149 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.103 -0.669 10.582 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.682 -3.182 8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.473 -1.945 8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.990 -3.653 8.607 1.00 0.00 H new ATOM 1100 N ASN A 95 2.273 -2.717 11.281 1.00 0.00 N ATOM 1101 CA ASN A 95 3.623 -2.169 11.345 1.00 0.00 C ATOM 1102 C ASN A 95 4.614 -3.082 10.631 1.00 0.00 C ATOM 1103 O ASN A 95 5.621 -2.621 10.094 1.00 0.00 O ATOM 1104 CB ASN A 95 4.060 -1.934 12.779 1.00 0.00 C ATOM 1105 CG ASN A 95 3.361 -0.782 13.444 1.00 0.00 C ATOM 1106 OD1 ASN A 95 2.825 0.112 12.779 1.00 0.00 O ATOM 1107 ND2 ASN A 95 3.432 -0.757 14.750 1.00 0.00 N ATOM 0 H ASN A 95 1.942 -3.128 12.154 1.00 0.00 H new ATOM 0 HA ASN A 95 3.609 -1.205 10.836 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.879 -2.840 13.357 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.135 -1.754 12.797 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.034 0.027 15.267 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.886 -1.521 15.251 1.00 0.00 H new ATOM 1114 N GLN A 96 4.321 -4.380 10.631 1.00 0.00 N ATOM 1115 CA GLN A 96 5.237 -5.368 10.073 1.00 0.00 C ATOM 1116 C GLN A 96 4.663 -5.984 8.803 1.00 0.00 C ATOM 1117 O GLN A 96 5.158 -7.000 8.315 1.00 0.00 O ATOM 1118 CB GLN A 96 5.529 -6.468 11.097 1.00 0.00 C ATOM 1119 CG GLN A 96 6.139 -5.964 12.394 1.00 0.00 C ATOM 1120 CD GLN A 96 7.518 -5.366 12.193 1.00 0.00 C ATOM 1121 OE1 GLN A 96 8.354 -5.926 11.480 1.00 0.00 O ATOM 1122 NE2 GLN A 96 7.764 -4.224 12.825 1.00 0.00 N ATOM 0 H GLN A 96 3.458 -4.770 11.010 1.00 0.00 H new ATOM 0 HA GLN A 96 6.168 -4.859 9.824 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.601 -6.993 11.325 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.205 -7.196 10.649 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.482 -5.214 12.834 1.00 0.00 H new ATOM 0 HG3 GLN A 96 6.204 -6.787 13.105 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.042 -3.796 13.405 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.675 -3.775 12.731 1.00 0.00 H new ATOM 1131 N ALA A 97 3.616 -5.363 8.270 1.00 0.00 N ATOM 1132 CA ALA A 97 2.960 -5.864 7.068 1.00 0.00 C ATOM 1133 C ALA A 97 3.486 -5.161 5.821 1.00 0.00 C ATOM 1134 O ALA A 97 3.536 -3.933 5.764 1.00 0.00 O ATOM 1135 CB ALA A 97 1.453 -5.690 7.178 1.00 0.00 C ATOM 0 H ALA A 97 3.204 -4.512 8.652 1.00 0.00 H new ATOM 0 HA ALA A 97 3.187 -6.926 6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.976 -6.068 6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.085 -6.244 8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.217 -4.633 7.298 1.00 0.00 H new ATOM 1141 N ARG A 98 3.878 -5.948 4.824 1.00 0.00 N ATOM 1142 CA ARG A 98 4.172 -5.414 3.500 1.00 0.00 C ATOM 1143 C ARG A 98 2.956 -5.528 2.586 1.00 0.00 C ATOM 1144 O ARG A 98 3.088 -5.786 1.390 1.00 0.00 O ATOM 1145 CB ARG A 98 5.402 -6.061 2.879 1.00 0.00 C ATOM 1146 CG ARG A 98 6.712 -5.756 3.588 1.00 0.00 C ATOM 1147 CD ARG A 98 7.214 -4.373 3.381 1.00 0.00 C ATOM 1148 NE ARG A 98 8.563 -4.143 3.870 1.00 0.00 N ATOM 1149 CZ ARG A 98 8.870 -3.784 5.131 1.00 0.00 C ATOM 1150 NH1 ARG A 98 7.927 -3.578 6.024 1.00 0.00 N ATOM 1151 NH2 ARG A 98 10.144 -3.622 5.442 1.00 0.00 N ATOM 0 H ARG A 98 3.999 -6.957 4.908 1.00 0.00 H new ATOM 0 HA ARG A 98 4.405 -4.356 3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.257 -7.141 2.863 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.482 -5.734 1.842 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.581 -5.926 4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.470 -6.460 3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.183 -4.144 2.316 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.538 -3.676 3.876 1.00 0.00 H new ATOM 0 HE ARG A 98 9.332 -4.262 3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.947 -3.690 5.766 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.176 -3.307 6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.864 -3.769 4.735 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.407 -3.350 6.389 1.00 0.00 H new ATOM 1165 N ALA A 99 1.772 -5.333 3.158 1.00 0.00 N ATOM 1166 CA ALA A 99 0.530 -5.461 2.406 1.00 0.00 C ATOM 1167 C ALA A 99 -0.648 -4.899 3.193 1.00 0.00 C ATOM 1168 O ALA A 99 -0.698 -5.010 4.418 1.00 0.00 O ATOM 1169 CB ALA A 99 0.279 -6.917 2.045 1.00 0.00 C ATOM 0 H ALA A 99 1.647 -5.086 4.140 1.00 0.00 H new ATOM 0 HA ALA A 99 0.629 -4.882 1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.652 -6.997 1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.103 -7.288 1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.206 -7.510 2.956 1.00 0.00 H new ATOM 1175 N TRP A 100 -1.593 -4.294 2.483 1.00 0.00 N ATOM 1176 CA TRP A 100 -2.801 -3.769 3.108 1.00 0.00 C ATOM 1177 C TRP A 100 -4.035 -4.112 2.281 1.00 0.00 C ATOM 1178 O TRP A 100 -3.975 -4.166 1.053 1.00 0.00 O ATOM 1179 CB TRP A 100 -2.693 -2.254 3.282 1.00 0.00 C ATOM 1180 CG TRP A 100 -1.460 -1.827 4.018 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -1.364 -1.514 5.344 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -0.147 -1.666 3.469 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -0.070 -1.167 5.653 1.00 0.00 N ATOM 1184 CE2 TRP A 100 0.695 -1.253 4.520 1.00 0.00 C ATOM 1185 CE3 TRP A 100 0.397 -1.830 2.194 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 2.052 -1.003 4.331 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.745 -1.582 2.007 1.00 0.00 C ATOM 1188 CH2 TRP A 100 2.560 -1.172 3.072 1.00 0.00 C ATOM 0 H TRP A 100 -1.546 -4.155 1.474 1.00 0.00 H new ATOM 0 HA TRP A 100 -2.904 -4.233 4.089 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -2.703 -1.781 2.300 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.571 -1.894 3.818 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -2.184 -1.536 6.047 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.266 -0.891 6.576 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.224 -2.145 1.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 2.681 -0.687 5.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.177 -1.706 1.025 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.609 -0.986 2.895 1.00 0.00 H new ATOM 1199 N SER A 101 -5.154 -4.341 2.961 1.00 0.00 N ATOM 1200 CA SER A 101 -6.403 -4.674 2.287 1.00 0.00 C ATOM 1201 C SER A 101 -6.965 -3.461 1.551 1.00 0.00 C ATOM 1202 O SER A 101 -6.824 -2.326 2.006 1.00 0.00 O ATOM 1203 CB SER A 101 -7.415 -5.200 3.289 1.00 0.00 C ATOM 1204 OG SER A 101 -8.699 -5.297 2.739 1.00 0.00 O ATOM 0 H SER A 101 -5.221 -4.302 3.978 1.00 0.00 H new ATOM 0 HA SER A 101 -6.198 -5.452 1.551 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.098 -6.181 3.643 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.442 -4.541 4.157 1.00 0.00 H new ATOM 0 HG SER A 101 -9.238 -5.917 3.274 1.00 0.00 H new ATOM 1210 N TRP A 102 -7.597 -3.710 0.411 1.00 0.00 N ATOM 1211 CA TRP A 102 -8.343 -2.672 -0.293 1.00 0.00 C ATOM 1212 C TRP A 102 -9.485 -2.143 0.569 1.00 0.00 C ATOM 1213 O TRP A 102 -9.868 -0.979 0.461 1.00 0.00 O ATOM 1214 CB TRP A 102 -8.892 -3.215 -1.613 1.00 0.00 C ATOM 1215 CG TRP A 102 -7.982 -2.974 -2.778 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -7.424 -3.919 -3.592 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -7.524 -1.705 -3.260 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -6.645 -3.314 -4.550 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -6.692 -1.956 -4.369 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -7.738 -0.382 -2.864 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -6.074 -0.932 -5.082 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -7.124 0.632 -3.573 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -6.301 0.354 -4.671 1.00 0.00 C ATOM 0 H TRP A 102 -7.609 -4.621 -0.047 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.661 -1.849 -0.504 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.066 -4.286 -1.513 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -9.858 -2.753 -1.814 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.573 -4.984 -3.497 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.118 -3.797 -5.277 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.372 -0.157 -2.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.438 -1.145 -5.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.282 1.658 -3.275 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -5.836 1.170 -5.204 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.023 -3.007 1.424 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.059 -2.602 2.367 1.00 0.00 C ATOM 1236 C GLU A 103 -10.470 -1.755 3.492 1.00 0.00 C ATOM 1237 O GLU A 103 -11.103 -0.813 3.971 1.00 0.00 O ATOM 1238 CB GLU A 103 -11.769 -3.829 2.946 1.00 0.00 C ATOM 1239 CG GLU A 103 -12.639 -4.581 1.949 1.00 0.00 C ATOM 1240 CD GLU A 103 -13.709 -3.691 1.378 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -14.419 -3.083 2.142 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -13.744 -3.531 0.181 1.00 0.00 O ATOM 0 H GLU A 103 -9.759 -3.990 1.483 1.00 0.00 H new ATOM 0 HA GLU A 103 -11.788 -1.998 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.020 -4.513 3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.389 -3.513 3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.018 -4.970 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.100 -5.439 2.439 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.256 -2.098 3.908 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.512 -1.276 4.855 1.00 0.00 C ATOM 1251 C PHE A 104 -8.196 0.092 4.258 1.00 0.00 C ATOM 1252 O PHE A 104 -8.348 1.120 4.917 1.00 0.00 O ATOM 1253 CB PHE A 104 -7.221 -1.980 5.277 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.396 -1.196 6.257 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.753 -1.139 7.596 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.263 -0.514 5.843 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -5.994 -0.419 8.500 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.502 0.207 6.743 1.00 0.00 C ATOM 1259 CZ PHE A 104 -4.868 0.254 8.074 1.00 0.00 C ATOM 0 H PHE A 104 -8.766 -2.940 3.604 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.135 -1.129 5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.472 -2.945 5.717 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.621 -2.181 4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.634 -1.663 7.936 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.971 -0.546 4.804 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.283 -0.384 9.540 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.621 0.734 6.406 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.274 0.816 8.779 1.00 0.00 H new ATOM 1269 N ILE A 105 -7.754 0.097 3.005 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.502 1.340 2.286 1.00 0.00 C ATOM 1271 C ILE A 105 -8.773 2.177 2.175 1.00 0.00 C ATOM 1272 O ILE A 105 -8.754 3.387 2.403 1.00 0.00 O ATOM 1273 CB ILE A 105 -6.945 1.075 0.876 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -5.541 0.472 0.960 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -6.930 2.359 0.060 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.028 -0.070 -0.353 1.00 0.00 C ATOM 0 H ILE A 105 -7.563 -0.747 2.466 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.757 1.891 2.860 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.596 0.359 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.850 1.234 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.545 -0.331 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.533 2.154 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -7.945 2.747 -0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.301 3.098 0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.028 -0.480 -0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.695 -0.855 -0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.990 0.734 -1.088 1.00 0.00 H new ATOM 1288 N LYS A 106 -9.875 1.524 1.825 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.161 2.204 1.701 1.00 0.00 C ATOM 1290 C LYS A 106 -11.625 2.739 3.051 1.00 0.00 C ATOM 1291 O LYS A 106 -12.184 3.832 3.137 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.213 1.261 1.116 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.075 1.017 -0.381 1.00 0.00 C ATOM 1294 CD LYS A 106 -12.824 -0.236 -0.808 1.00 0.00 C ATOM 1295 CE LYS A 106 -14.324 -0.085 -0.600 1.00 0.00 C ATOM 1296 NZ LYS A 106 -15.074 -1.286 -1.057 1.00 0.00 N ATOM 0 H LYS A 106 -9.905 0.525 1.622 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.032 3.048 1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.155 0.304 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.203 1.672 1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.459 1.877 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.021 0.919 -0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.620 -0.443 -1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.460 -1.091 -0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.528 0.089 0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.679 0.792 -1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.064 -1.216 -0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.040 -1.342 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.643 -2.140 -0.650 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.390 1.962 4.105 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.790 2.357 5.450 1.00 0.00 C ATOM 1312 C ASN A 107 -11.080 3.640 5.874 1.00 0.00 C ATOM 1313 O ASN A 107 -11.677 4.507 6.512 1.00 0.00 O ATOM 1314 CB ASN A 107 -11.525 1.251 6.456 1.00 0.00 C ATOM 1315 CG ASN A 107 -12.510 0.118 6.383 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -13.619 0.266 5.857 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -12.144 -0.988 6.980 1.00 0.00 N ATOM 0 H ASN A 107 -10.925 1.056 4.052 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.864 2.544 5.429 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.521 0.859 6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.545 1.674 7.461 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.786 -1.779 7.027 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.217 -1.059 7.399 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.807 3.753 5.513 1.00 0.00 N ATOM 1325 CA ARG A 108 -9.027 4.943 5.832 1.00 0.00 C ATOM 1326 C ARG A 108 -9.542 6.153 5.060 1.00 0.00 C ATOM 1327 O ARG A 108 -9.602 7.263 5.590 1.00 0.00 O ATOM 1328 CB ARG A 108 -7.536 4.728 5.609 1.00 0.00 C ATOM 1329 CG ARG A 108 -6.862 3.821 6.625 1.00 0.00 C ATOM 1330 CD ARG A 108 -5.391 3.696 6.452 1.00 0.00 C ATOM 1331 NE ARG A 108 -4.650 4.924 6.686 1.00 0.00 N ATOM 1332 CZ ARG A 108 -4.199 5.329 7.889 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -4.444 4.629 8.975 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -3.524 6.463 7.954 1.00 0.00 N ATOM 0 H ARG A 108 -9.294 3.036 5.000 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.157 5.143 6.896 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.389 4.307 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.038 5.697 5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.067 4.200 7.626 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.309 2.829 6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.022 2.929 7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.185 3.350 5.439 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.458 5.522 5.882 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.983 3.765 8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.095 4.950 9.878 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.357 7.006 7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -3.170 6.795 8.851 1.00 0.00 H new ATOM 1348 N LEU A 109 -9.913 5.933 3.803 1.00 0.00 N ATOM 1349 CA LEU A 109 -10.473 6.994 2.973 1.00 0.00 C ATOM 1350 C LEU A 109 -11.846 7.418 3.484 1.00 0.00 C ATOM 1351 O LEU A 109 -12.224 8.587 3.388 1.00 0.00 O ATOM 1352 CB LEU A 109 -10.566 6.533 1.513 1.00 0.00 C ATOM 1353 CG LEU A 109 -9.220 6.335 0.804 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -9.429 5.614 -0.521 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -8.554 7.685 0.586 1.00 0.00 C ATOM 0 H LEU A 109 -9.836 5.029 3.336 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.809 7.857 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.118 5.594 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.149 7.265 0.954 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.569 5.722 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.468 5.478 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.884 4.640 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.085 6.207 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -7.598 7.542 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.198 8.313 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.388 8.169 1.549 1.00 0.00 H new ATOM 1367 N LYS A 110 -12.588 6.463 4.033 1.00 0.00 N ATOM 1368 CA LYS A 110 -13.898 6.747 4.611 1.00 0.00 C ATOM 1369 C LYS A 110 -13.763 7.579 5.882 1.00 0.00 C ATOM 1370 O LYS A 110 -14.642 8.374 6.209 1.00 0.00 O ATOM 1371 CB LYS A 110 -14.647 5.447 4.907 1.00 0.00 C ATOM 1372 CG LYS A 110 -15.207 4.749 3.675 1.00 0.00 C ATOM 1373 CD LYS A 110 -15.843 3.415 4.036 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.441 2.738 2.811 1.00 0.00 C ATOM 1375 NZ LYS A 110 -17.094 1.445 3.155 1.00 0.00 N ATOM 0 H LYS A 110 -12.305 5.485 4.090 1.00 0.00 H new ATOM 0 HA LYS A 110 -14.470 7.323 3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.973 4.763 5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.467 5.662 5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -15.948 5.390 3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.408 4.589 2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.094 2.763 4.486 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.620 3.571 4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.172 3.402 2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.658 2.564 2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.489 1.016 2.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.392 0.802 3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.859 1.614 3.840 1.00 0.00 H new ATOM 1389 N GLU A 111 -12.656 7.390 6.592 1.00 0.00 N ATOM 1390 CA GLU A 111 -12.349 8.209 7.759 1.00 0.00 C ATOM 1391 C GLU A 111 -11.918 9.612 7.343 1.00 0.00 C ATOM 1392 O GLU A 111 -12.205 10.592 8.032 1.00 0.00 O ATOM 1393 CB GLU A 111 -11.257 7.550 8.605 1.00 0.00 C ATOM 1394 CG GLU A 111 -11.703 6.298 9.346 1.00 0.00 C ATOM 1395 CD GLU A 111 -10.556 5.655 10.073 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -9.457 6.143 9.961 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -10.794 4.743 10.829 1.00 0.00 O ATOM 0 H GLU A 111 -11.957 6.678 6.380 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.255 8.293 8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.418 7.294 7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.890 8.275 9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.489 6.554 10.057 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.132 5.588 8.639 1.00 0.00 H new ATOM 1404 N LEU A 112 -11.230 9.700 6.210 1.00 0.00 N ATOM 1405 CA LEU A 112 -10.805 10.988 5.673 1.00 0.00 C ATOM 1406 C LEU A 112 -12.000 11.785 5.157 1.00 0.00 C ATOM 1407 O LEU A 112 -12.050 13.006 5.298 1.00 0.00 O ATOM 1408 CB LEU A 112 -9.775 10.784 4.553 1.00 0.00 C ATOM 1409 CG LEU A 112 -8.411 10.251 5.011 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -7.557 9.896 3.802 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -7.720 11.295 5.873 1.00 0.00 C ATOM 0 H LEU A 112 -10.955 8.896 5.646 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.340 11.557 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.190 10.092 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.623 11.735 4.043 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.554 9.348 5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.591 9.519 4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.061 9.130 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.407 10.785 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.751 10.915 6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.577 12.208 5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.336 11.512 6.746 1.00 0.00 H new ATOM 1423 N ASN A 113 -12.959 11.084 4.560 1.00 0.00 N ATOM 1424 CA ASN A 113 -14.162 11.724 4.043 1.00 0.00 C ATOM 1425 C ASN A 113 -15.408 11.199 4.751 1.00 0.00 C ATOM 1426 O ASN A 113 -16.036 10.241 4.298 1.00 0.00 O ATOM 1427 CB ASN A 113 -14.292 11.534 2.542 1.00 0.00 C ATOM 1428 CG ASN A 113 -15.423 12.311 1.929 1.00 0.00 C ATOM 1429 OD1 ASN A 113 -16.355 12.739 2.619 1.00 0.00 O ATOM 1430 ND2 ASN A 113 -15.388 12.424 0.626 1.00 0.00 N ATOM 0 H ASN A 113 -12.926 10.074 4.423 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.072 12.792 4.243 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -13.358 11.832 2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -14.434 10.474 2.330 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -16.154 12.883 0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -14.595 12.053 0.103 1.00 0.00 H new ATOM 1437 N LEU A 114 -15.758 11.832 5.867 1.00 0.00 N ATOM 1438 CA LEU A 114 -16.919 11.421 6.647 1.00 0.00 C ATOM 1439 C LEU A 114 -18.195 12.042 6.091 1.00 0.00 C ATOM 1440 O LEU A 114 -18.244 13.239 5.803 1.00 0.00 O ATOM 1441 CB LEU A 114 -16.733 11.805 8.119 1.00 0.00 C ATOM 1442 CG LEU A 114 -15.578 11.096 8.838 1.00 0.00 C ATOM 1443 CD1 LEU A 114 -15.376 11.698 10.222 1.00 0.00 C ATOM 1444 CD2 LEU A 114 -15.876 9.608 8.936 1.00 0.00 C ATOM 1445 OXT LEU A 114 -19.171 11.363 5.927 1.00 0.00 O ATOM 0 H LEU A 114 -15.254 12.631 6.251 1.00 0.00 H new ATOM 0 HA LEU A 114 -17.012 10.337 6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -16.571 12.881 8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -17.659 11.591 8.653 1.00 0.00 H new ATOM 0 HG LEU A 114 -14.658 11.232 8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -14.554 11.188 10.724 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -15.141 12.758 10.127 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -16.288 11.579 10.807 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -15.055 9.105 9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -16.799 9.458 9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -15.989 9.193 7.935 1.00 0.00 H new TER 1457 LEU A 114