USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 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 61 SER OG : rot 121:sc= 0.989 USER MOD Set 1.2: A 63 CYS SG : rot 19:sc= -0.655 USER MOD Set 1.3: A 68 ASN : amide:sc= -6.84! C(o=-7.2!,f=-3.7!) USER MOD Set 1.4: A 93 TYR OH : rot 180:sc= -0.736 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0 (180deg=-0.149) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.062) USER MOD Single : A 6 HIS : no HD1:sc=-0.00669 X(o=-0.0067,f=-0.0067) USER MOD Single : A 7 HIS : no HD1:sc= 0.134 K(o=0.13,f=-4.1!) USER MOD Single : A 8 HIS : no HD1:sc= -0.694 X(o=-0.69,f=-0.21) USER MOD Single : A 9 HIS : no HD1:sc= 0 K(o=0,f=-1) USER MOD Single : A 10 HIS : no HD1:sc= -1.05 K(o=-1,f=-4.7!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= -0.206 (180deg=-0.95) USER MOD Single : A 23 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.00022) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -80:sc= -0.279 USER MOD Single : A 48 MET CE :methyl 134:sc= -1.42 (180deg=-5.37!) USER MOD Single : A 50 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.0069) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.1) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -3.15! K(o=-3.1!,f=-0.56) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 79 TYR OH : rot -129:sc= 0.546 USER MOD Single : A 80 THR OG1 : rot -120:sc= -0.414 USER MOD Single : A 85 GLN : amide:sc= -0.031 X(o=-0.031,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.037) USER MOD Single : A 97 LYS NZ :NH3+ 148:sc= -0.0805 (180deg=-0.671) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.792 34.726 -3.099 1.00 0.00 N ATOM 2 CA MET A 1 -7.061 34.413 -4.527 1.00 0.00 C ATOM 3 C MET A 1 -8.287 33.515 -4.675 1.00 0.00 C ATOM 4 O MET A 1 -8.350 32.676 -5.574 1.00 0.00 O ATOM 5 CB MET A 1 -5.827 33.724 -5.114 1.00 0.00 C ATOM 6 CG MET A 1 -5.171 34.507 -6.239 1.00 0.00 C ATOM 7 SD MET A 1 -4.418 36.043 -5.670 1.00 0.00 S ATOM 8 CE MET A 1 -4.471 37.021 -7.170 1.00 0.00 C ATOM 0 H1 MET A 1 -5.859 35.176 -3.012 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.523 35.373 -2.742 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.806 33.848 -2.543 1.00 0.00 H new ATOM 0 HA MET A 1 -7.267 35.339 -5.064 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.098 33.565 -4.320 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.113 32.740 -5.486 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.409 33.887 -6.712 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.916 34.733 -7.002 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.039 38.003 -6.979 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.901 36.519 -7.952 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.506 37.136 -7.493 1.00 0.00 H new ATOM 20 N GLY A 2 -9.259 33.701 -3.787 1.00 0.00 N ATOM 21 CA GLY A 2 -10.471 32.902 -3.834 1.00 0.00 C ATOM 22 C GLY A 2 -11.291 33.166 -5.081 1.00 0.00 C ATOM 23 O GLY A 2 -11.985 34.180 -5.173 1.00 0.00 O ATOM 0 H GLY A 2 -9.229 34.390 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -10.208 31.845 -3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.077 33.114 -2.953 1.00 0.00 H new ATOM 27 N SER A 3 -11.212 32.252 -6.043 1.00 0.00 N ATOM 28 CA SER A 3 -11.950 32.389 -7.293 1.00 0.00 C ATOM 29 C SER A 3 -12.617 31.072 -7.679 1.00 0.00 C ATOM 30 O SER A 3 -12.789 30.774 -8.862 1.00 0.00 O ATOM 31 CB SER A 3 -11.013 32.847 -8.412 1.00 0.00 C ATOM 32 OG SER A 3 -11.382 34.125 -8.897 1.00 0.00 O ATOM 0 H SER A 3 -10.643 31.408 -5.980 1.00 0.00 H new ATOM 0 HA SER A 3 -12.727 33.139 -7.148 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.988 32.877 -8.042 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.036 32.125 -9.228 1.00 0.00 H new ATOM 0 HG SER A 3 -10.766 34.395 -9.610 1.00 0.00 H new ATOM 38 N SER A 4 -12.994 30.289 -6.673 1.00 0.00 N ATOM 39 CA SER A 4 -13.639 29.001 -6.906 1.00 0.00 C ATOM 40 C SER A 4 -15.147 29.169 -7.075 1.00 0.00 C ATOM 41 O SER A 4 -15.930 28.716 -6.239 1.00 0.00 O ATOM 42 CB SER A 4 -13.343 28.044 -5.750 1.00 0.00 C ATOM 43 OG SER A 4 -12.050 27.479 -5.874 1.00 0.00 O ATOM 0 H SER A 4 -12.864 30.524 -5.689 1.00 0.00 H new ATOM 0 HA SER A 4 -13.236 28.581 -7.827 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.421 28.578 -4.803 1.00 0.00 H new ATOM 0 HB3 SER A 4 -14.090 27.250 -5.731 1.00 0.00 H new ATOM 0 HG SER A 4 -11.885 26.873 -5.122 1.00 0.00 H new ATOM 49 N HIS A 5 -15.547 29.819 -8.164 1.00 0.00 N ATOM 50 CA HIS A 5 -16.960 30.044 -8.446 1.00 0.00 C ATOM 51 C HIS A 5 -17.461 29.080 -9.515 1.00 0.00 C ATOM 52 O HIS A 5 -16.760 28.142 -9.897 1.00 0.00 O ATOM 53 CB HIS A 5 -17.186 31.488 -8.900 1.00 0.00 C ATOM 54 CG HIS A 5 -16.631 32.507 -7.954 1.00 0.00 C ATOM 55 ND1 HIS A 5 -15.428 33.127 -8.195 1.00 0.00 N ATOM 56 CD2 HIS A 5 -17.145 32.974 -6.790 1.00 0.00 C ATOM 57 CE1 HIS A 5 -15.236 33.954 -7.183 1.00 0.00 C ATOM 58 NE2 HIS A 5 -16.251 33.895 -6.308 1.00 0.00 N ATOM 0 H HIS A 5 -14.912 30.199 -8.866 1.00 0.00 H new ATOM 0 HA HIS A 5 -17.521 29.865 -7.529 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -16.730 31.628 -9.880 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -18.256 31.660 -9.019 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -18.077 32.678 -6.332 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -14.373 34.595 -7.074 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -16.341 34.434 -5.447 1.00 0.00 H new ATOM 66 N HIS A 6 -18.679 29.313 -9.995 1.00 0.00 N ATOM 67 CA HIS A 6 -19.273 28.465 -11.024 1.00 0.00 C ATOM 68 C HIS A 6 -18.529 28.616 -12.347 1.00 0.00 C ATOM 69 O HIS A 6 -18.089 29.710 -12.702 1.00 0.00 O ATOM 70 CB HIS A 6 -20.750 28.818 -11.214 1.00 0.00 C ATOM 71 CG HIS A 6 -21.555 28.732 -9.954 1.00 0.00 C ATOM 72 ND1 HIS A 6 -21.560 27.595 -9.182 1.00 0.00 N ATOM 73 CD2 HIS A 6 -22.359 29.661 -9.380 1.00 0.00 C ATOM 74 CE1 HIS A 6 -22.360 27.854 -8.162 1.00 0.00 C ATOM 75 NE2 HIS A 6 -22.866 29.093 -8.241 1.00 0.00 N ATOM 0 H HIS A 6 -19.274 30.082 -9.688 1.00 0.00 H new ATOM 0 HA HIS A 6 -19.193 27.428 -10.698 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -20.824 29.829 -11.614 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -21.182 28.148 -11.957 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -22.561 30.656 -9.749 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -22.578 27.157 -7.367 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.507 29.530 -7.579 1.00 0.00 H new ATOM 83 N HIS A 7 -18.390 27.511 -13.072 1.00 0.00 N ATOM 84 CA HIS A 7 -17.696 27.520 -14.355 1.00 0.00 C ATOM 85 C HIS A 7 -18.452 26.696 -15.393 1.00 0.00 C ATOM 86 O HIS A 7 -18.973 27.237 -16.369 1.00 0.00 O ATOM 87 CB HIS A 7 -16.271 26.980 -14.200 1.00 0.00 C ATOM 88 CG HIS A 7 -16.042 26.233 -12.922 1.00 0.00 C ATOM 89 ND1 HIS A 7 -16.824 25.158 -12.569 1.00 0.00 N ATOM 90 CD2 HIS A 7 -15.117 26.445 -11.954 1.00 0.00 C ATOM 91 CE1 HIS A 7 -16.362 24.740 -11.404 1.00 0.00 C ATOM 92 NE2 HIS A 7 -15.329 25.490 -10.992 1.00 0.00 N ATOM 0 H HIS A 7 -18.749 26.598 -12.793 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.649 28.553 -14.700 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.049 26.321 -15.040 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -15.569 27.812 -14.254 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.360 27.216 -11.942 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.764 23.902 -10.854 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -14.801 25.373 -10.127 1.00 0.00 H new ATOM 100 N HIS A 8 -18.506 25.385 -15.179 1.00 0.00 N ATOM 101 CA HIS A 8 -19.193 24.488 -16.103 1.00 0.00 C ATOM 102 C HIS A 8 -20.291 23.700 -15.391 1.00 0.00 C ATOM 103 O HIS A 8 -21.431 24.155 -15.298 1.00 0.00 O ATOM 104 CB HIS A 8 -18.195 23.528 -16.760 1.00 0.00 C ATOM 105 CG HIS A 8 -16.902 23.394 -16.016 1.00 0.00 C ATOM 106 ND1 HIS A 8 -15.756 24.014 -16.453 1.00 0.00 N ATOM 107 CD2 HIS A 8 -16.628 22.703 -14.882 1.00 0.00 C ATOM 108 CE1 HIS A 8 -14.816 23.692 -15.583 1.00 0.00 C ATOM 109 NE2 HIS A 8 -15.298 22.900 -14.615 1.00 0.00 N ATOM 0 H HIS A 8 -18.083 24.920 -14.375 1.00 0.00 H new ATOM 0 HA HIS A 8 -19.659 25.097 -16.878 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -18.656 22.544 -16.848 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -17.986 23.874 -17.772 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -17.322 22.113 -14.302 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -13.790 24.024 -15.644 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -14.774 22.516 -13.828 1.00 0.00 H new ATOM 117 N HIS A 9 -19.944 22.514 -14.895 1.00 0.00 N ATOM 118 CA HIS A 9 -20.905 21.664 -14.201 1.00 0.00 C ATOM 119 C HIS A 9 -21.204 22.202 -12.806 1.00 0.00 C ATOM 120 O HIS A 9 -20.409 22.950 -12.234 1.00 0.00 O ATOM 121 CB HIS A 9 -20.376 20.231 -14.106 1.00 0.00 C ATOM 122 CG HIS A 9 -21.235 19.229 -14.811 1.00 0.00 C ATOM 123 ND1 HIS A 9 -22.056 18.372 -14.115 1.00 0.00 N ATOM 124 CD2 HIS A 9 -21.366 18.987 -16.139 1.00 0.00 C ATOM 125 CE1 HIS A 9 -22.663 17.633 -15.027 1.00 0.00 C ATOM 126 NE2 HIS A 9 -22.277 17.970 -16.265 1.00 0.00 N ATOM 0 H HIS A 9 -19.005 22.121 -14.961 1.00 0.00 H new ATOM 0 HA HIS A 9 -21.831 21.665 -14.775 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.371 20.195 -14.526 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.293 19.952 -13.056 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.853 19.496 -16.941 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.379 16.856 -14.803 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -22.600 17.550 -17.136 1.00 0.00 H new ATOM 134 N HIS A 10 -22.356 21.818 -12.265 1.00 0.00 N ATOM 135 CA HIS A 10 -22.765 22.262 -10.938 1.00 0.00 C ATOM 136 C HIS A 10 -22.993 21.071 -10.012 1.00 0.00 C ATOM 137 O HIS A 10 -23.699 21.180 -9.008 1.00 0.00 O ATOM 138 CB HIS A 10 -24.041 23.102 -11.030 1.00 0.00 C ATOM 139 CG HIS A 10 -23.813 24.481 -11.566 1.00 0.00 C ATOM 140 ND1 HIS A 10 -22.637 24.823 -12.190 1.00 0.00 N ATOM 141 CD2 HIS A 10 -24.633 25.561 -11.545 1.00 0.00 C ATOM 142 CE1 HIS A 10 -22.763 26.092 -12.534 1.00 0.00 C ATOM 143 NE2 HIS A 10 -23.957 26.580 -12.164 1.00 0.00 N ATOM 0 H HIS A 10 -23.023 21.200 -12.726 1.00 0.00 H new ATOM 0 HA HIS A 10 -21.964 22.874 -10.523 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -24.760 22.587 -11.668 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -24.490 23.176 -10.039 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -25.626 25.609 -11.123 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -22.003 26.663 -13.047 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -24.297 27.530 -12.315 1.00 0.00 H new ATOM 151 N SER A 11 -22.393 19.936 -10.356 1.00 0.00 N ATOM 152 CA SER A 11 -22.532 18.726 -9.555 1.00 0.00 C ATOM 153 C SER A 11 -21.376 18.587 -8.569 1.00 0.00 C ATOM 154 O SER A 11 -20.208 18.631 -8.956 1.00 0.00 O ATOM 155 CB SER A 11 -22.592 17.493 -10.461 1.00 0.00 C ATOM 156 OG SER A 11 -23.513 16.538 -9.963 1.00 0.00 O ATOM 0 H SER A 11 -21.806 19.829 -11.184 1.00 0.00 H new ATOM 0 HA SER A 11 -23.461 18.802 -8.990 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.882 17.792 -11.468 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.602 17.044 -10.535 1.00 0.00 H new ATOM 0 HG SER A 11 -23.534 15.761 -10.560 1.00 0.00 H new ATOM 162 N SER A 12 -21.711 18.422 -7.293 1.00 0.00 N ATOM 163 CA SER A 12 -20.701 18.279 -6.249 1.00 0.00 C ATOM 164 C SER A 12 -21.049 17.130 -5.308 1.00 0.00 C ATOM 165 O SER A 12 -20.681 17.144 -4.133 1.00 0.00 O ATOM 166 CB SER A 12 -20.573 19.582 -5.457 1.00 0.00 C ATOM 167 OG SER A 12 -20.522 20.703 -6.322 1.00 0.00 O ATOM 0 H SER A 12 -22.673 18.384 -6.957 1.00 0.00 H new ATOM 0 HA SER A 12 -19.747 18.055 -6.727 1.00 0.00 H new ATOM 0 HB2 SER A 12 -21.419 19.682 -4.777 1.00 0.00 H new ATOM 0 HB3 SER A 12 -19.673 19.551 -4.844 1.00 0.00 H new ATOM 0 HG SER A 12 -20.442 21.523 -5.791 1.00 0.00 H new ATOM 173 N GLY A 13 -21.757 16.134 -5.833 1.00 0.00 N ATOM 174 CA GLY A 13 -22.143 14.991 -5.027 1.00 0.00 C ATOM 175 C GLY A 13 -21.032 13.968 -4.901 1.00 0.00 C ATOM 176 O GLY A 13 -19.892 14.229 -5.286 1.00 0.00 O ATOM 0 H GLY A 13 -22.070 16.099 -6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -22.433 15.332 -4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -23.020 14.518 -5.469 1.00 0.00 H new ATOM 180 N LEU A 14 -21.365 12.799 -4.362 1.00 0.00 N ATOM 181 CA LEU A 14 -20.389 11.730 -4.186 1.00 0.00 C ATOM 182 C LEU A 14 -20.810 10.477 -4.948 1.00 0.00 C ATOM 183 O LEU A 14 -20.725 9.364 -4.428 1.00 0.00 O ATOM 184 CB LEU A 14 -20.219 11.406 -2.699 1.00 0.00 C ATOM 185 CG LEU A 14 -18.933 11.937 -2.056 1.00 0.00 C ATOM 186 CD1 LEU A 14 -17.708 11.388 -2.772 1.00 0.00 C ATOM 187 CD2 LEU A 14 -18.920 13.458 -2.062 1.00 0.00 C ATOM 0 H LEU A 14 -22.305 12.568 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 14 -19.435 12.073 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.072 11.812 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -20.248 10.324 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 14 -18.904 11.598 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.806 11.777 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -17.709 10.300 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -17.731 11.693 -3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -17.999 13.816 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -18.976 13.818 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.776 13.831 -1.500 1.00 0.00 H new ATOM 199 N VAL A 15 -21.265 10.668 -6.182 1.00 0.00 N ATOM 200 CA VAL A 15 -21.700 9.554 -7.018 1.00 0.00 C ATOM 201 C VAL A 15 -20.509 8.756 -7.556 1.00 0.00 C ATOM 202 O VAL A 15 -20.466 7.534 -7.412 1.00 0.00 O ATOM 203 CB VAL A 15 -22.572 10.035 -8.197 1.00 0.00 C ATOM 204 CG1 VAL A 15 -23.274 8.858 -8.855 1.00 0.00 C ATOM 205 CG2 VAL A 15 -23.579 11.075 -7.728 1.00 0.00 C ATOM 0 H VAL A 15 -21.342 11.583 -6.625 1.00 0.00 H new ATOM 0 HA VAL A 15 -22.300 8.904 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 15 -21.924 10.502 -8.939 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -23.884 9.216 -9.684 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -22.531 8.154 -9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -23.911 8.359 -8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -24.185 11.402 -8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -24.225 10.638 -6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -23.050 11.930 -7.308 1.00 0.00 H new ATOM 215 N PRO A 16 -19.513 9.426 -8.180 1.00 0.00 N ATOM 216 CA PRO A 16 -18.330 8.746 -8.726 1.00 0.00 C ATOM 217 C PRO A 16 -17.498 8.074 -7.638 1.00 0.00 C ATOM 218 O PRO A 16 -17.824 8.156 -6.454 1.00 0.00 O ATOM 219 CB PRO A 16 -17.526 9.871 -9.390 1.00 0.00 C ATOM 220 CG PRO A 16 -18.488 10.999 -9.552 1.00 0.00 C ATOM 221 CD PRO A 16 -19.453 10.880 -8.411 1.00 0.00 C ATOM 0 HA PRO A 16 -18.609 7.948 -9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.676 10.164 -8.773 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.126 9.553 -10.353 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.972 11.959 -9.529 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.005 10.937 -10.510 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.103 11.415 -7.528 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -20.431 11.289 -8.665 1.00 0.00 H new ATOM 229 N ARG A 17 -16.418 7.416 -8.048 1.00 0.00 N ATOM 230 CA ARG A 17 -15.535 6.735 -7.108 1.00 0.00 C ATOM 231 C ARG A 17 -14.370 7.635 -6.708 1.00 0.00 C ATOM 232 O ARG A 17 -14.081 7.802 -5.523 1.00 0.00 O ATOM 233 CB ARG A 17 -15.003 5.439 -7.722 1.00 0.00 C ATOM 234 CG ARG A 17 -15.883 4.229 -7.445 1.00 0.00 C ATOM 235 CD ARG A 17 -15.057 3.021 -7.035 1.00 0.00 C ATOM 236 NE ARG A 17 -15.768 1.767 -7.270 1.00 0.00 N ATOM 237 CZ ARG A 17 -16.281 1.016 -6.300 1.00 0.00 C ATOM 238 NH1 ARG A 17 -16.163 1.392 -5.033 1.00 0.00 N ATOM 239 NH2 ARG A 17 -16.915 -0.111 -6.596 1.00 0.00 N ATOM 0 H ARG A 17 -16.134 7.340 -9.025 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.112 6.496 -6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.908 5.570 -8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -14.003 5.247 -7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.595 4.469 -6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.464 3.989 -8.336 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.120 3.016 -7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.800 3.099 -5.979 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.877 1.449 -8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.678 2.259 -4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.557 0.814 -4.291 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.010 -0.403 -7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.308 -0.686 -5.851 1.00 0.00 H new ATOM 253 N GLY A 18 -13.705 8.213 -7.705 1.00 0.00 N ATOM 254 CA GLY A 18 -12.579 9.089 -7.439 1.00 0.00 C ATOM 255 C GLY A 18 -12.694 10.417 -8.163 1.00 0.00 C ATOM 256 O GLY A 18 -13.797 10.874 -8.463 1.00 0.00 O ATOM 0 H GLY A 18 -13.927 8.090 -8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.508 9.268 -6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.657 8.592 -7.741 1.00 0.00 H new ATOM 260 N SER A 19 -11.552 11.036 -8.445 1.00 0.00 N ATOM 261 CA SER A 19 -11.530 12.318 -9.141 1.00 0.00 C ATOM 262 C SER A 19 -11.990 12.160 -10.586 1.00 0.00 C ATOM 263 O SER A 19 -13.019 12.707 -10.984 1.00 0.00 O ATOM 264 CB SER A 19 -10.122 12.916 -9.106 1.00 0.00 C ATOM 265 OG SER A 19 -10.167 14.325 -8.973 1.00 0.00 O ATOM 0 H SER A 19 -10.631 10.671 -8.203 1.00 0.00 H new ATOM 0 HA SER A 19 -12.218 12.992 -8.631 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.563 12.487 -8.274 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.589 12.651 -10.019 1.00 0.00 H new ATOM 0 HG SER A 19 -9.254 14.681 -8.952 1.00 0.00 H new ATOM 271 N HIS A 20 -11.222 11.404 -11.367 1.00 0.00 N ATOM 272 CA HIS A 20 -11.551 11.170 -12.768 1.00 0.00 C ATOM 273 C HIS A 20 -11.532 9.680 -13.090 1.00 0.00 C ATOM 274 O HIS A 20 -12.579 9.069 -13.307 1.00 0.00 O ATOM 275 CB HIS A 20 -10.567 11.911 -13.676 1.00 0.00 C ATOM 276 CG HIS A 20 -11.142 13.145 -14.302 1.00 0.00 C ATOM 277 ND1 HIS A 20 -10.906 14.391 -13.773 1.00 0.00 N ATOM 278 CD2 HIS A 20 -11.927 13.270 -15.400 1.00 0.00 C ATOM 279 CE1 HIS A 20 -11.547 15.243 -14.553 1.00 0.00 C ATOM 280 NE2 HIS A 20 -12.179 14.608 -15.551 1.00 0.00 N ATOM 0 H HIS A 20 -10.368 10.944 -11.052 1.00 0.00 H new ATOM 0 HA HIS A 20 -12.557 11.550 -12.946 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.686 12.185 -13.096 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.233 11.236 -14.464 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -12.284 12.471 -16.032 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.560 16.313 -14.406 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -12.741 15.040 -16.284 1.00 0.00 H new ATOM 288 N MET A 21 -10.336 9.100 -13.121 1.00 0.00 N ATOM 289 CA MET A 21 -10.181 7.681 -13.419 1.00 0.00 C ATOM 290 C MET A 21 -10.142 6.856 -12.138 1.00 0.00 C ATOM 291 O MET A 21 -10.137 7.402 -11.035 1.00 0.00 O ATOM 292 CB MET A 21 -8.906 7.445 -14.230 1.00 0.00 C ATOM 293 CG MET A 21 -9.076 7.705 -15.719 1.00 0.00 C ATOM 294 SD MET A 21 -8.380 6.391 -16.738 1.00 0.00 S ATOM 295 CE MET A 21 -7.066 7.275 -17.576 1.00 0.00 C ATOM 0 H MET A 21 -9.460 9.591 -12.943 1.00 0.00 H new ATOM 0 HA MET A 21 -11.042 7.364 -14.007 1.00 0.00 H new ATOM 0 HB2 MET A 21 -8.116 8.089 -13.845 1.00 0.00 H new ATOM 0 HB3 MET A 21 -8.578 6.416 -14.084 1.00 0.00 H new ATOM 0 HG2 MET A 21 -10.137 7.812 -15.946 1.00 0.00 H new ATOM 0 HG3 MET A 21 -8.598 8.650 -15.976 1.00 0.00 H new ATOM 0 HE1 MET A 21 -6.539 6.595 -18.246 1.00 0.00 H new ATOM 0 HE2 MET A 21 -7.491 8.096 -18.153 1.00 0.00 H new ATOM 0 HE3 MET A 21 -6.367 7.672 -16.840 1.00 0.00 H new ATOM 305 N LYS A 22 -10.114 5.536 -12.295 1.00 0.00 N ATOM 306 CA LYS A 22 -10.076 4.631 -11.152 1.00 0.00 C ATOM 307 C LYS A 22 -9.020 3.547 -11.351 1.00 0.00 C ATOM 308 O LYS A 22 -9.335 2.418 -11.730 1.00 0.00 O ATOM 309 CB LYS A 22 -11.450 3.991 -10.935 1.00 0.00 C ATOM 310 CG LYS A 22 -12.155 3.605 -12.226 1.00 0.00 C ATOM 311 CD LYS A 22 -13.354 4.499 -12.496 1.00 0.00 C ATOM 312 CE LYS A 22 -13.149 5.344 -13.744 1.00 0.00 C ATOM 313 NZ LYS A 22 -12.838 4.509 -14.937 1.00 0.00 N ATOM 0 H LYS A 22 -10.117 5.070 -13.202 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.811 5.212 -10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.333 3.102 -10.315 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.081 4.685 -10.380 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.455 3.673 -13.058 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.480 2.566 -12.167 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.247 3.886 -12.613 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.524 5.150 -11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.047 5.931 -13.936 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.337 6.051 -13.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.177 4.989 -15.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.810 4.367 -15.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.310 3.586 -14.848 1.00 0.00 H new ATOM 327 N ASN A 23 -7.763 3.899 -11.092 1.00 0.00 N ATOM 328 CA ASN A 23 -6.659 2.958 -11.244 1.00 0.00 C ATOM 329 C ASN A 23 -5.799 2.918 -9.984 1.00 0.00 C ATOM 330 O ASN A 23 -6.192 3.432 -8.936 1.00 0.00 O ATOM 331 CB ASN A 23 -5.800 3.339 -12.452 1.00 0.00 C ATOM 332 CG ASN A 23 -5.624 4.840 -12.589 1.00 0.00 C ATOM 333 OD1 ASN A 23 -6.018 5.432 -13.595 1.00 0.00 O ATOM 334 ND2 ASN A 23 -5.033 5.463 -11.576 1.00 0.00 N ATOM 0 H ASN A 23 -7.485 4.828 -10.776 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.080 1.965 -11.405 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.821 2.868 -12.361 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.259 2.946 -13.359 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.890 6.472 -11.612 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.723 4.932 -10.762 1.00 0.00 H new ATOM 341 N ILE A 24 -4.624 2.304 -10.093 1.00 0.00 N ATOM 342 CA ILE A 24 -3.709 2.198 -8.962 1.00 0.00 C ATOM 343 C ILE A 24 -3.210 3.572 -8.530 1.00 0.00 C ATOM 344 O ILE A 24 -3.365 4.555 -9.254 1.00 0.00 O ATOM 345 CB ILE A 24 -2.497 1.307 -9.296 1.00 0.00 C ATOM 346 CG1 ILE A 24 -1.795 1.810 -10.560 1.00 0.00 C ATOM 347 CG2 ILE A 24 -2.933 -0.139 -9.467 1.00 0.00 C ATOM 348 CD1 ILE A 24 -0.296 1.950 -10.403 1.00 0.00 C ATOM 0 H ILE A 24 -4.284 1.873 -10.953 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.269 1.742 -8.146 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.791 1.358 -8.467 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.004 1.123 -11.380 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.215 2.776 -10.839 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.065 -0.755 -9.703 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.389 -0.493 -8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.657 -0.207 -10.279 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.136 2.310 -11.337 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.078 2.660 -9.605 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.136 0.981 -10.154 1.00 0.00 H new ATOM 360 N VAL A 25 -2.612 3.633 -7.344 1.00 0.00 N ATOM 361 CA VAL A 25 -2.095 4.890 -6.816 1.00 0.00 C ATOM 362 C VAL A 25 -0.762 4.694 -6.113 1.00 0.00 C ATOM 363 O VAL A 25 -0.552 3.696 -5.422 1.00 0.00 O ATOM 364 CB VAL A 25 -3.087 5.541 -5.835 1.00 0.00 C ATOM 365 CG1 VAL A 25 -4.191 6.266 -6.589 1.00 0.00 C ATOM 366 CG2 VAL A 25 -3.670 4.497 -4.893 1.00 0.00 C ATOM 0 H VAL A 25 -2.474 2.829 -6.732 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.954 5.550 -7.672 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.547 6.276 -5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.881 6.719 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.754 7.044 -7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.731 5.556 -7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.369 4.976 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.194 3.736 -5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.866 4.030 -4.324 1.00 0.00 H new ATOM 376 N PRO A 26 0.163 5.658 -6.274 1.00 0.00 N ATOM 377 CA PRO A 26 1.478 5.600 -5.639 1.00 0.00 C ATOM 378 C PRO A 26 1.370 5.432 -4.129 1.00 0.00 C ATOM 379 O PRO A 26 0.940 6.349 -3.429 1.00 0.00 O ATOM 380 CB PRO A 26 2.123 6.950 -5.986 1.00 0.00 C ATOM 381 CG PRO A 26 1.005 7.813 -6.465 1.00 0.00 C ATOM 382 CD PRO A 26 -0.005 6.884 -7.069 1.00 0.00 C ATOM 0 HA PRO A 26 2.059 4.747 -5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.611 7.387 -5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.887 6.834 -6.755 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.570 8.380 -5.642 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.358 8.537 -7.200 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.017 7.281 -6.991 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.188 6.709 -8.127 1.00 0.00 H new ATOM 390 N ASP A 27 1.750 4.242 -3.656 1.00 0.00 N ATOM 391 CA ASP A 27 1.723 3.893 -2.231 1.00 0.00 C ATOM 392 C ASP A 27 0.396 3.251 -1.842 1.00 0.00 C ATOM 393 O ASP A 27 -0.490 3.909 -1.295 1.00 0.00 O ATOM 394 CB ASP A 27 2.004 5.114 -1.347 1.00 0.00 C ATOM 395 CG ASP A 27 2.227 4.743 0.107 1.00 0.00 C ATOM 396 OD1 ASP A 27 1.246 4.362 0.779 1.00 0.00 O ATOM 397 OD2 ASP A 27 3.380 4.842 0.575 1.00 0.00 O ATOM 0 H ASP A 27 2.087 3.488 -4.254 1.00 0.00 H new ATOM 0 HA ASP A 27 2.517 3.165 -2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.884 5.636 -1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.167 5.809 -1.417 1.00 0.00 H new ATOM 402 N TYR A 28 0.275 1.953 -2.116 1.00 0.00 N ATOM 403 CA TYR A 28 -0.922 1.200 -1.758 1.00 0.00 C ATOM 404 C TYR A 28 -0.639 0.336 -0.534 1.00 0.00 C ATOM 405 O TYR A 28 0.511 0.200 -0.122 1.00 0.00 O ATOM 406 CB TYR A 28 -1.380 0.329 -2.929 1.00 0.00 C ATOM 407 CG TYR A 28 -2.849 -0.023 -2.883 1.00 0.00 C ATOM 408 CD1 TYR A 28 -3.823 0.947 -3.087 1.00 0.00 C ATOM 409 CD2 TYR A 28 -3.263 -1.326 -2.637 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.167 0.628 -3.046 1.00 0.00 C ATOM 411 CE2 TYR A 28 -4.605 -1.652 -2.594 1.00 0.00 C ATOM 412 CZ TYR A 28 -5.552 -0.672 -2.799 1.00 0.00 C ATOM 413 OH TYR A 28 -6.889 -0.993 -2.758 1.00 0.00 O ATOM 0 H TYR A 28 0.993 1.402 -2.586 1.00 0.00 H new ATOM 0 HA TYR A 28 -1.722 1.902 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.169 0.850 -3.863 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.795 -0.590 -2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.525 1.967 -3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.524 -2.097 -2.477 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.912 1.393 -3.207 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.910 -2.670 -2.401 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.990 -1.950 -2.574 1.00 0.00 H new ATOM 423 N ARG A 29 -1.684 -0.228 0.064 1.00 0.00 N ATOM 424 CA ARG A 29 -1.505 -1.039 1.262 1.00 0.00 C ATOM 425 C ARG A 29 -2.294 -2.343 1.208 1.00 0.00 C ATOM 426 O ARG A 29 -3.497 -2.350 0.945 1.00 0.00 O ATOM 427 CB ARG A 29 -1.911 -0.240 2.502 1.00 0.00 C ATOM 428 CG ARG A 29 -3.269 0.432 2.377 1.00 0.00 C ATOM 429 CD ARG A 29 -3.949 0.576 3.729 1.00 0.00 C ATOM 430 NE ARG A 29 -4.839 1.732 3.775 1.00 0.00 N ATOM 431 CZ ARG A 29 -6.026 1.774 3.175 1.00 0.00 C ATOM 432 NH1 ARG A 29 -6.464 0.729 2.487 1.00 0.00 N ATOM 433 NH2 ARG A 29 -6.775 2.865 3.265 1.00 0.00 N ATOM 0 H ARG A 29 -2.649 -0.141 -0.255 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.448 -1.300 1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.923 -0.906 3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.155 0.521 2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.148 1.416 1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.904 -0.151 1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.518 -0.328 3.946 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.192 0.671 4.507 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.534 2.554 4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.891 -0.112 2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.374 0.765 2.029 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.441 3.671 3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.685 2.898 2.805 1.00 0.00 H new ATOM 447 N LEU A 30 -1.603 -3.441 1.503 1.00 0.00 N ATOM 448 CA LEU A 30 -2.225 -4.758 1.577 1.00 0.00 C ATOM 449 C LEU A 30 -1.967 -5.351 2.957 1.00 0.00 C ATOM 450 O LEU A 30 -1.077 -6.182 3.129 1.00 0.00 O ATOM 451 CB LEU A 30 -1.671 -5.687 0.484 1.00 0.00 C ATOM 452 CG LEU A 30 -2.545 -6.905 0.141 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.362 -8.008 1.178 1.00 0.00 C ATOM 454 CD2 LEU A 30 -4.011 -6.503 0.039 1.00 0.00 C ATOM 0 H LEU A 30 -0.602 -3.442 1.696 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.298 -4.657 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.522 -5.102 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.690 -6.043 0.798 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.228 -7.290 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.989 -8.861 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.317 -8.319 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.649 -7.634 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.612 -7.379 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.342 -6.089 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.129 -5.753 -0.743 1.00 0.00 H new ATOM 466 N ASP A 31 -2.736 -4.898 3.943 1.00 0.00 N ATOM 467 CA ASP A 31 -2.534 -5.322 5.323 1.00 0.00 C ATOM 468 C ASP A 31 -3.555 -6.371 5.747 1.00 0.00 C ATOM 469 O ASP A 31 -4.458 -6.094 6.539 1.00 0.00 O ATOM 470 CB ASP A 31 -2.612 -4.113 6.260 1.00 0.00 C ATOM 471 CG ASP A 31 -2.289 -2.810 5.553 1.00 0.00 C ATOM 472 OD1 ASP A 31 -1.205 -2.722 4.938 1.00 0.00 O ATOM 473 OD2 ASP A 31 -3.119 -1.880 5.614 1.00 0.00 O ATOM 0 H ASP A 31 -3.503 -4.239 3.812 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.544 -5.773 5.388 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.613 -4.052 6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.919 -4.254 7.089 1.00 0.00 H new ATOM 478 N MET A 32 -3.422 -7.568 5.188 1.00 0.00 N ATOM 479 CA MET A 32 -4.305 -8.676 5.526 1.00 0.00 C ATOM 480 C MET A 32 -3.506 -9.970 5.705 1.00 0.00 C ATOM 481 O MET A 32 -2.743 -10.117 6.662 1.00 0.00 O ATOM 482 CB MET A 32 -5.376 -8.848 4.447 1.00 0.00 C ATOM 483 CG MET A 32 -6.533 -7.869 4.576 1.00 0.00 C ATOM 484 SD MET A 32 -8.142 -8.676 4.457 1.00 0.00 S ATOM 485 CE MET A 32 -8.514 -8.437 2.721 1.00 0.00 C ATOM 0 H MET A 32 -2.708 -7.796 4.496 1.00 0.00 H new ATOM 0 HA MET A 32 -4.798 -8.449 6.471 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.915 -8.726 3.467 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.765 -9.865 4.492 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.461 -7.351 5.532 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.452 -7.112 3.796 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.482 -8.883 2.492 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.544 -7.370 2.499 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.743 -8.912 2.115 1.00 0.00 H new ATOM 495 N VAL A 33 -3.696 -10.906 4.780 1.00 0.00 N ATOM 496 CA VAL A 33 -2.994 -12.181 4.816 1.00 0.00 C ATOM 497 C VAL A 33 -2.473 -12.553 3.429 1.00 0.00 C ATOM 498 O VAL A 33 -3.117 -12.271 2.419 1.00 0.00 O ATOM 499 CB VAL A 33 -3.916 -13.303 5.334 1.00 0.00 C ATOM 500 CG1 VAL A 33 -5.034 -13.588 4.342 1.00 0.00 C ATOM 501 CG2 VAL A 33 -3.117 -14.564 5.626 1.00 0.00 C ATOM 0 H VAL A 33 -4.335 -10.802 3.992 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.150 -12.072 5.497 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.371 -12.965 6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.671 -14.383 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.628 -12.686 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.605 -13.899 3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.787 -15.343 5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.627 -14.904 4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.363 -14.350 6.384 1.00 0.00 H new ATOM 511 N GLY A 34 -1.308 -13.189 3.389 1.00 0.00 N ATOM 512 CA GLY A 34 -0.735 -13.602 2.120 1.00 0.00 C ATOM 513 C GLY A 34 -1.422 -14.829 1.551 1.00 0.00 C ATOM 514 O GLY A 34 -0.889 -15.936 1.627 1.00 0.00 O ATOM 0 H GLY A 34 -0.751 -13.426 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.810 -12.782 1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.326 -13.812 2.254 1.00 0.00 H new ATOM 518 N GLU A 35 -2.612 -14.634 0.990 1.00 0.00 N ATOM 519 CA GLU A 35 -3.379 -15.735 0.418 1.00 0.00 C ATOM 520 C GLU A 35 -3.083 -15.897 -1.072 1.00 0.00 C ATOM 521 O GLU A 35 -2.852 -14.915 -1.778 1.00 0.00 O ATOM 522 CB GLU A 35 -4.879 -15.505 0.631 1.00 0.00 C ATOM 523 CG GLU A 35 -5.454 -14.379 -0.214 1.00 0.00 C ATOM 524 CD GLU A 35 -6.638 -13.698 0.445 1.00 0.00 C ATOM 525 OE1 GLU A 35 -6.977 -14.068 1.589 1.00 0.00 O ATOM 526 OE2 GLU A 35 -7.227 -12.794 -0.184 1.00 0.00 O ATOM 0 H GLU A 35 -3.066 -13.723 0.920 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.082 -16.651 0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.414 -16.427 0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.057 -15.284 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.676 -13.640 -0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.761 -14.777 -1.181 1.00 0.00 H new ATOM 533 N PRO A 36 -3.093 -17.148 -1.572 1.00 0.00 N ATOM 534 CA PRO A 36 -2.823 -17.440 -2.985 1.00 0.00 C ATOM 535 C PRO A 36 -3.756 -16.680 -3.925 1.00 0.00 C ATOM 536 O PRO A 36 -3.434 -16.469 -5.095 1.00 0.00 O ATOM 537 CB PRO A 36 -3.070 -18.948 -3.096 1.00 0.00 C ATOM 538 CG PRO A 36 -2.893 -19.470 -1.712 1.00 0.00 C ATOM 539 CD PRO A 36 -3.355 -18.374 -0.795 1.00 0.00 C ATOM 0 HA PRO A 36 -1.817 -17.137 -3.274 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.072 -19.157 -3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.367 -19.413 -3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.476 -20.378 -1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.851 -19.725 -1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.412 -18.475 -0.548 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.805 -18.379 0.146 1.00 0.00 H new ATOM 547 N CYS A 37 -4.913 -16.279 -3.408 1.00 0.00 N ATOM 548 CA CYS A 37 -5.897 -15.549 -4.203 1.00 0.00 C ATOM 549 C CYS A 37 -5.301 -14.257 -4.760 1.00 0.00 C ATOM 550 O CYS A 37 -4.562 -13.557 -4.066 1.00 0.00 O ATOM 551 CB CYS A 37 -7.130 -15.231 -3.356 1.00 0.00 C ATOM 552 SG CYS A 37 -8.345 -16.569 -3.290 1.00 0.00 S ATOM 0 H CYS A 37 -5.193 -16.447 -2.442 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.191 -16.181 -5.041 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.810 -14.995 -2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.611 -14.337 -3.754 1.00 0.00 H new ATOM 0 HG CYS A 37 -9.350 -16.207 -2.549 1.00 0.00 H new ATOM 558 N PRO A 38 -5.624 -13.916 -6.022 1.00 0.00 N ATOM 559 CA PRO A 38 -5.114 -12.707 -6.669 1.00 0.00 C ATOM 560 C PRO A 38 -5.941 -11.469 -6.334 1.00 0.00 C ATOM 561 O PRO A 38 -5.939 -10.491 -7.080 1.00 0.00 O ATOM 562 CB PRO A 38 -5.232 -13.047 -8.151 1.00 0.00 C ATOM 563 CG PRO A 38 -6.422 -13.941 -8.235 1.00 0.00 C ATOM 564 CD PRO A 38 -6.493 -14.693 -6.928 1.00 0.00 C ATOM 0 HA PRO A 38 -4.103 -12.458 -6.345 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.366 -12.149 -8.755 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.334 -13.546 -8.517 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.331 -13.361 -8.398 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.329 -14.631 -9.074 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.515 -14.746 -6.553 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.140 -15.718 -7.038 1.00 0.00 H new ATOM 572 N TYR A 39 -6.648 -11.522 -5.209 1.00 0.00 N ATOM 573 CA TYR A 39 -7.478 -10.403 -4.772 1.00 0.00 C ATOM 574 C TYR A 39 -6.630 -9.291 -4.143 1.00 0.00 C ATOM 575 O TYR A 39 -6.764 -8.126 -4.514 1.00 0.00 O ATOM 576 CB TYR A 39 -8.542 -10.880 -3.778 1.00 0.00 C ATOM 577 CG TYR A 39 -9.885 -11.161 -4.414 1.00 0.00 C ATOM 578 CD1 TYR A 39 -10.842 -10.160 -4.535 1.00 0.00 C ATOM 579 CD2 TYR A 39 -10.199 -12.428 -4.889 1.00 0.00 C ATOM 580 CE1 TYR A 39 -12.071 -10.414 -5.114 1.00 0.00 C ATOM 581 CE2 TYR A 39 -11.426 -12.690 -5.470 1.00 0.00 C ATOM 582 CZ TYR A 39 -12.358 -11.679 -5.579 1.00 0.00 C ATOM 583 OH TYR A 39 -13.580 -11.936 -6.157 1.00 0.00 O ATOM 0 H TYR A 39 -6.663 -12.327 -4.583 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.973 -9.994 -5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.187 -11.785 -3.285 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -8.668 -10.124 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -10.622 -9.168 -4.171 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -9.472 -13.222 -4.803 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -12.803 -9.625 -5.202 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -11.653 -13.680 -5.836 1.00 0.00 H new ATOM 0 HH TYR A 39 -13.621 -12.876 -6.432 1.00 0.00 H new ATOM 593 N PRO A 40 -5.742 -9.626 -3.182 1.00 0.00 N ATOM 594 CA PRO A 40 -4.890 -8.630 -2.515 1.00 0.00 C ATOM 595 C PRO A 40 -3.972 -7.897 -3.494 1.00 0.00 C ATOM 596 O PRO A 40 -4.234 -6.754 -3.869 1.00 0.00 O ATOM 597 CB PRO A 40 -4.065 -9.463 -1.526 1.00 0.00 C ATOM 598 CG PRO A 40 -4.843 -10.718 -1.336 1.00 0.00 C ATOM 599 CD PRO A 40 -5.507 -10.983 -2.653 1.00 0.00 C ATOM 0 HA PRO A 40 -5.481 -7.847 -2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.070 -9.671 -1.919 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.930 -8.935 -0.582 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.191 -11.544 -1.052 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.580 -10.606 -0.541 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.871 -11.570 -3.315 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.438 -11.536 -2.532 1.00 0.00 H new ATOM 607 N ALA A 41 -2.914 -8.582 -3.925 1.00 0.00 N ATOM 608 CA ALA A 41 -1.931 -8.015 -4.854 1.00 0.00 C ATOM 609 C ALA A 41 -2.551 -7.566 -6.176 1.00 0.00 C ATOM 610 O ALA A 41 -1.830 -7.163 -7.088 1.00 0.00 O ATOM 611 CB ALA A 41 -0.836 -9.031 -5.132 1.00 0.00 C ATOM 0 H ALA A 41 -2.712 -9.541 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.518 -7.129 -4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.109 -8.603 -5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.338 -9.294 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.274 -9.926 -5.574 1.00 0.00 H new ATOM 617 N VAL A 42 -3.874 -7.645 -6.292 1.00 0.00 N ATOM 618 CA VAL A 42 -4.551 -7.226 -7.514 1.00 0.00 C ATOM 619 C VAL A 42 -4.054 -5.854 -7.961 1.00 0.00 C ATOM 620 O VAL A 42 -3.961 -5.575 -9.155 1.00 0.00 O ATOM 621 CB VAL A 42 -6.082 -7.183 -7.330 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.507 -5.953 -6.538 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.779 -7.220 -8.682 1.00 0.00 C ATOM 0 H VAL A 42 -4.494 -7.993 -5.560 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.317 -7.964 -8.281 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.380 -8.064 -6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.591 -5.950 -6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.039 -5.974 -5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.195 -5.053 -7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.859 -7.189 -8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.468 -6.360 -9.275 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.510 -8.138 -9.205 1.00 0.00 H new ATOM 633 N ALA A 43 -3.736 -5.005 -6.987 1.00 0.00 N ATOM 634 CA ALA A 43 -3.227 -3.668 -7.269 1.00 0.00 C ATOM 635 C ALA A 43 -1.789 -3.727 -7.773 1.00 0.00 C ATOM 636 O ALA A 43 -1.398 -2.965 -8.656 1.00 0.00 O ATOM 637 CB ALA A 43 -3.317 -2.793 -6.028 1.00 0.00 C ATOM 0 H ALA A 43 -3.823 -5.221 -5.994 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.844 -3.229 -8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.933 -1.798 -6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.357 -2.717 -5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.725 -3.236 -5.227 1.00 0.00 H new ATOM 643 N THR A 44 -1.006 -4.630 -7.192 1.00 0.00 N ATOM 644 CA THR A 44 0.396 -4.792 -7.563 1.00 0.00 C ATOM 645 C THR A 44 0.539 -5.197 -9.028 1.00 0.00 C ATOM 646 O THR A 44 1.206 -4.518 -9.813 1.00 0.00 O ATOM 647 CB THR A 44 1.053 -5.845 -6.669 1.00 0.00 C ATOM 648 OG1 THR A 44 0.328 -5.998 -5.462 1.00 0.00 O ATOM 649 CG2 THR A 44 2.484 -5.514 -6.306 1.00 0.00 C ATOM 0 H THR A 44 -1.321 -5.264 -6.458 1.00 0.00 H new ATOM 0 HA THR A 44 0.894 -3.832 -7.425 1.00 0.00 H new ATOM 0 HB THR A 44 1.048 -6.765 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.566 -5.276 -4.844 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.890 -6.302 -5.671 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.081 -5.437 -7.215 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.513 -4.565 -5.771 1.00 0.00 H new ATOM 657 N LEU A 45 -0.084 -6.314 -9.390 1.00 0.00 N ATOM 658 CA LEU A 45 -0.008 -6.824 -10.752 1.00 0.00 C ATOM 659 C LEU A 45 -0.596 -5.835 -11.752 1.00 0.00 C ATOM 660 O LEU A 45 0.061 -5.468 -12.726 1.00 0.00 O ATOM 661 CB LEU A 45 -0.731 -8.167 -10.861 1.00 0.00 C ATOM 662 CG LEU A 45 0.104 -9.393 -10.473 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.588 -10.672 -10.919 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.505 -9.310 -11.068 1.00 0.00 C ATOM 0 H LEU A 45 -0.647 -6.883 -8.758 1.00 0.00 H new ATOM 0 HA LEU A 45 1.046 -6.964 -10.993 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.618 -8.136 -10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.076 -8.293 -11.887 1.00 0.00 H new ATOM 0 HG LEU A 45 0.197 -9.408 -9.387 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.019 -11.532 -10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.565 -10.743 -10.440 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.715 -10.659 -12.002 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.076 -10.192 -10.778 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.437 -9.264 -12.155 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.005 -8.415 -10.698 1.00 0.00 H new ATOM 676 N GLU A 46 -1.837 -5.419 -11.519 1.00 0.00 N ATOM 677 CA GLU A 46 -2.497 -4.469 -12.409 1.00 0.00 C ATOM 678 C GLU A 46 -1.663 -3.200 -12.537 1.00 0.00 C ATOM 679 O GLU A 46 -1.619 -2.573 -13.604 1.00 0.00 O ATOM 680 CB GLU A 46 -3.905 -4.139 -11.902 1.00 0.00 C ATOM 681 CG GLU A 46 -3.936 -3.097 -10.795 1.00 0.00 C ATOM 682 CD GLU A 46 -5.341 -2.806 -10.306 1.00 0.00 C ATOM 683 OE1 GLU A 46 -5.988 -3.731 -9.771 1.00 0.00 O ATOM 684 OE2 GLU A 46 -5.794 -1.652 -10.456 1.00 0.00 O ATOM 0 H GLU A 46 -2.403 -5.722 -10.727 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.590 -4.926 -13.394 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.507 -3.784 -12.738 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.373 -5.054 -11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.329 -3.443 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.483 -2.174 -11.157 1.00 0.00 H new ATOM 691 N ALA A 47 -0.976 -2.844 -11.449 1.00 0.00 N ATOM 692 CA ALA A 47 -0.104 -1.678 -11.457 1.00 0.00 C ATOM 693 C ALA A 47 0.708 -1.679 -12.729 1.00 0.00 C ATOM 694 O ALA A 47 0.603 -0.769 -13.529 1.00 0.00 O ATOM 695 CB ALA A 47 0.797 -1.653 -10.233 1.00 0.00 C ATOM 0 H ALA A 47 -1.009 -3.344 -10.561 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.715 -0.776 -11.420 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.435 -0.770 -10.269 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.185 -1.622 -9.331 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.417 -2.549 -10.219 1.00 0.00 H new ATOM 701 N MET A 48 1.515 -2.709 -12.914 1.00 0.00 N ATOM 702 CA MET A 48 2.234 -2.877 -14.167 1.00 0.00 C ATOM 703 C MET A 48 1.281 -3.398 -15.250 1.00 0.00 C ATOM 704 O MET A 48 0.581 -4.382 -15.020 1.00 0.00 O ATOM 705 CB MET A 48 3.403 -3.847 -13.991 1.00 0.00 C ATOM 706 CG MET A 48 4.363 -3.451 -12.882 1.00 0.00 C ATOM 707 SD MET A 48 5.189 -4.873 -12.142 1.00 0.00 S ATOM 708 CE MET A 48 3.853 -5.571 -11.173 1.00 0.00 C ATOM 0 H MET A 48 1.689 -3.436 -12.220 1.00 0.00 H new ATOM 0 HA MET A 48 2.630 -1.909 -14.472 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.010 -4.842 -13.781 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.953 -3.913 -14.930 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.112 -2.767 -13.281 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.817 -2.910 -12.109 1.00 0.00 H new ATOM 0 HE1 MET A 48 3.816 -6.649 -11.328 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.022 -5.362 -10.117 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.907 -5.127 -11.484 1.00 0.00 H new ATOM 718 N PRO A 49 1.362 -2.884 -16.493 1.00 0.00 N ATOM 719 CA PRO A 49 2.144 -1.708 -16.857 1.00 0.00 C ATOM 720 C PRO A 49 1.423 -0.384 -16.585 1.00 0.00 C ATOM 721 O PRO A 49 1.837 0.657 -17.096 1.00 0.00 O ATOM 722 CB PRO A 49 2.336 -1.907 -18.356 1.00 0.00 C ATOM 723 CG PRO A 49 1.072 -2.563 -18.809 1.00 0.00 C ATOM 724 CD PRO A 49 0.514 -3.313 -17.620 1.00 0.00 C ATOM 0 HA PRO A 49 3.063 -1.632 -16.276 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.495 -0.957 -18.866 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.205 -2.531 -18.566 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.358 -1.820 -19.166 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.266 -3.243 -19.638 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.533 -3.064 -17.448 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.565 -4.392 -17.769 1.00 0.00 H new ATOM 732 N GLN A 50 0.302 -0.422 -15.856 1.00 0.00 N ATOM 733 CA GLN A 50 -0.468 0.797 -15.592 1.00 0.00 C ATOM 734 C GLN A 50 0.250 1.715 -14.601 1.00 0.00 C ATOM 735 O GLN A 50 -0.359 2.619 -14.029 1.00 0.00 O ATOM 736 CB GLN A 50 -1.853 0.436 -15.051 1.00 0.00 C ATOM 737 CG GLN A 50 -2.997 1.041 -15.848 1.00 0.00 C ATOM 738 CD GLN A 50 -4.329 0.382 -15.548 1.00 0.00 C ATOM 739 OE1 GLN A 50 -5.298 1.052 -15.193 1.00 0.00 O ATOM 740 NE2 GLN A 50 -4.382 -0.938 -15.686 1.00 0.00 N ATOM 0 H GLN A 50 -0.087 -1.270 -15.444 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.571 1.334 -16.535 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.960 -0.649 -15.045 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.927 0.769 -14.016 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.065 2.106 -15.628 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.782 0.949 -16.913 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.553 -1.453 -15.983 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.251 -1.436 -15.495 1.00 0.00 H new ATOM 749 N LEU A 51 1.544 1.477 -14.401 1.00 0.00 N ATOM 750 CA LEU A 51 2.334 2.274 -13.471 1.00 0.00 C ATOM 751 C LEU A 51 2.571 3.678 -14.013 1.00 0.00 C ATOM 752 O LEU A 51 2.130 4.013 -15.114 1.00 0.00 O ATOM 753 CB LEU A 51 3.676 1.591 -13.196 1.00 0.00 C ATOM 754 CG LEU A 51 4.610 1.490 -14.404 1.00 0.00 C ATOM 755 CD1 LEU A 51 6.050 1.752 -13.988 1.00 0.00 C ATOM 756 CD2 LEU A 51 4.483 0.126 -15.065 1.00 0.00 C ATOM 0 H LEU A 51 2.066 0.738 -14.872 1.00 0.00 H new ATOM 0 HA LEU A 51 1.773 2.356 -12.540 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.189 2.137 -12.404 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.485 0.586 -12.819 1.00 0.00 H new ATOM 0 HG LEU A 51 4.319 2.250 -15.129 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.700 1.676 -14.860 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.129 2.752 -13.562 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.353 1.016 -13.244 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.155 0.073 -15.922 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.747 -0.652 -14.348 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.456 -0.022 -15.399 1.00 0.00 H new ATOM 768 N LYS A 52 3.271 4.493 -13.232 1.00 0.00 N ATOM 769 CA LYS A 52 3.576 5.862 -13.628 1.00 0.00 C ATOM 770 C LYS A 52 5.079 6.122 -13.547 1.00 0.00 C ATOM 771 O LYS A 52 5.884 5.218 -13.766 1.00 0.00 O ATOM 772 CB LYS A 52 2.815 6.849 -12.739 1.00 0.00 C ATOM 773 CG LYS A 52 1.352 6.488 -12.544 1.00 0.00 C ATOM 774 CD LYS A 52 0.525 7.701 -12.152 1.00 0.00 C ATOM 775 CE LYS A 52 -0.765 7.296 -11.458 1.00 0.00 C ATOM 776 NZ LYS A 52 -1.614 8.474 -11.129 1.00 0.00 N ATOM 0 H LYS A 52 3.639 4.228 -12.318 1.00 0.00 H new ATOM 0 HA LYS A 52 3.259 6.004 -14.661 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.302 6.898 -11.765 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.880 7.845 -13.178 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.956 6.059 -13.465 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.265 5.723 -11.773 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.109 8.342 -11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.292 8.287 -13.041 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.323 6.614 -12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.529 6.752 -10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.484 8.154 -10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.091 9.113 -10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.861 8.979 -12.004 1.00 0.00 H new ATOM 790 N LYS A 53 5.452 7.359 -13.233 1.00 0.00 N ATOM 791 CA LYS A 53 6.859 7.726 -13.121 1.00 0.00 C ATOM 792 C LYS A 53 7.252 7.932 -11.661 1.00 0.00 C ATOM 793 O LYS A 53 7.707 9.009 -11.274 1.00 0.00 O ATOM 794 CB LYS A 53 7.141 8.997 -13.925 1.00 0.00 C ATOM 795 CG LYS A 53 7.683 8.726 -15.319 1.00 0.00 C ATOM 796 CD LYS A 53 7.859 10.013 -16.108 1.00 0.00 C ATOM 797 CE LYS A 53 6.592 10.382 -16.862 1.00 0.00 C ATOM 798 NZ LYS A 53 6.877 11.249 -18.039 1.00 0.00 N ATOM 0 H LYS A 53 4.801 8.123 -13.052 1.00 0.00 H new ATOM 0 HA LYS A 53 7.457 6.910 -13.526 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.221 9.576 -14.008 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.857 9.611 -13.379 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.640 8.210 -15.244 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.003 8.061 -15.852 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.129 10.823 -15.430 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.683 9.899 -16.813 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.090 9.473 -17.194 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.907 10.897 -16.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.987 11.478 -18.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.333 12.128 -17.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.511 10.748 -18.694 1.00 0.00 H new ATOM 812 N GLY A 54 7.071 6.891 -10.854 1.00 0.00 N ATOM 813 CA GLY A 54 7.412 6.976 -9.446 1.00 0.00 C ATOM 814 C GLY A 54 6.257 6.585 -8.544 1.00 0.00 C ATOM 815 O GLY A 54 5.424 7.421 -8.197 1.00 0.00 O ATOM 0 H GLY A 54 6.694 5.991 -11.150 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.264 6.327 -9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.723 7.994 -9.212 1.00 0.00 H new ATOM 819 N GLU A 55 6.210 5.312 -8.162 1.00 0.00 N ATOM 820 CA GLU A 55 5.151 4.815 -7.290 1.00 0.00 C ATOM 821 C GLU A 55 5.734 4.158 -6.042 1.00 0.00 C ATOM 822 O GLU A 55 6.932 4.253 -5.784 1.00 0.00 O ATOM 823 CB GLU A 55 4.255 3.828 -8.049 1.00 0.00 C ATOM 824 CG GLU A 55 4.820 2.420 -8.139 1.00 0.00 C ATOM 825 CD GLU A 55 3.902 1.386 -7.516 1.00 0.00 C ATOM 826 OE1 GLU A 55 2.850 1.087 -8.118 1.00 0.00 O ATOM 827 OE2 GLU A 55 4.232 0.880 -6.423 1.00 0.00 O ATOM 0 H GLU A 55 6.892 4.607 -8.442 1.00 0.00 H new ATOM 0 HA GLU A 55 4.545 5.663 -6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.282 3.787 -7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.089 4.206 -9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.991 2.166 -9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.789 2.388 -7.641 1.00 0.00 H new ATOM 834 N ILE A 56 4.865 3.544 -5.244 1.00 0.00 N ATOM 835 CA ILE A 56 5.275 2.883 -4.008 1.00 0.00 C ATOM 836 C ILE A 56 4.203 1.882 -3.569 1.00 0.00 C ATOM 837 O ILE A 56 3.071 1.930 -4.047 1.00 0.00 O ATOM 838 CB ILE A 56 5.545 3.926 -2.887 1.00 0.00 C ATOM 839 CG1 ILE A 56 7.026 4.312 -2.871 1.00 0.00 C ATOM 840 CG2 ILE A 56 5.130 3.411 -1.516 1.00 0.00 C ATOM 841 CD1 ILE A 56 7.266 5.784 -2.622 1.00 0.00 C ATOM 0 H ILE A 56 3.864 3.490 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 56 6.203 2.343 -4.194 1.00 0.00 H new ATOM 0 HB ILE A 56 4.940 4.805 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.535 3.734 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.475 4.036 -3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.337 4.172 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.064 3.185 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.692 2.507 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.338 5.983 -2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.786 6.369 -3.407 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.847 6.062 -1.655 1.00 0.00 H new ATOM 853 N LEU A 57 4.568 0.958 -2.687 1.00 0.00 N ATOM 854 CA LEU A 57 3.619 -0.026 -2.184 1.00 0.00 C ATOM 855 C LEU A 57 3.878 -0.349 -0.738 1.00 0.00 C ATOM 856 O LEU A 57 4.968 -0.114 -0.217 1.00 0.00 O ATOM 857 CB LEU A 57 3.707 -1.324 -2.971 1.00 0.00 C ATOM 858 CG LEU A 57 2.515 -2.268 -2.810 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.284 -1.695 -3.496 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.846 -3.645 -3.363 1.00 0.00 C ATOM 0 H LEU A 57 5.511 0.870 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 57 2.629 0.415 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.818 -1.082 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.611 -1.852 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 57 2.298 -2.370 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.446 -2.380 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.035 -0.732 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.488 -1.562 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.986 -4.303 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.091 -3.563 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.699 -4.058 -2.824 1.00 0.00 H new ATOM 872 N GLU A 58 2.883 -0.943 -0.107 1.00 0.00 N ATOM 873 CA GLU A 58 3.032 -1.393 1.252 1.00 0.00 C ATOM 874 C GLU A 58 2.193 -2.643 1.493 1.00 0.00 C ATOM 875 O GLU A 58 1.092 -2.772 0.960 1.00 0.00 O ATOM 876 CB GLU A 58 2.642 -0.294 2.250 1.00 0.00 C ATOM 877 CG GLU A 58 2.840 1.123 1.728 1.00 0.00 C ATOM 878 CD GLU A 58 2.137 2.160 2.581 1.00 0.00 C ATOM 879 OE1 GLU A 58 0.890 2.210 2.549 1.00 0.00 O ATOM 880 OE2 GLU A 58 2.834 2.920 3.286 1.00 0.00 O ATOM 0 H GLU A 58 1.967 -1.122 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 58 4.083 -1.635 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.596 -0.424 2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.230 -0.420 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.906 1.348 1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.467 1.185 0.706 1.00 0.00 H new ATOM 887 N VAL A 59 2.733 -3.579 2.270 1.00 0.00 N ATOM 888 CA VAL A 59 2.034 -4.830 2.551 1.00 0.00 C ATOM 889 C VAL A 59 2.233 -5.272 3.998 1.00 0.00 C ATOM 890 O VAL A 59 3.358 -5.329 4.494 1.00 0.00 O ATOM 891 CB VAL A 59 2.508 -5.963 1.620 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.655 -7.207 1.816 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.482 -5.517 0.167 1.00 0.00 C ATOM 0 H VAL A 59 3.647 -3.496 2.714 1.00 0.00 H new ATOM 0 HA VAL A 59 0.976 -4.636 2.376 1.00 0.00 H new ATOM 0 HB VAL A 59 3.538 -6.208 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.004 -7.996 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.734 -7.543 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.615 -6.974 1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.821 -6.334 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.465 -5.238 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.141 -4.659 0.038 1.00 0.00 H new ATOM 903 N VAL A 60 1.132 -5.610 4.659 1.00 0.00 N ATOM 904 CA VAL A 60 1.174 -6.098 6.032 1.00 0.00 C ATOM 905 C VAL A 60 0.305 -7.344 6.175 1.00 0.00 C ATOM 906 O VAL A 60 -0.867 -7.264 6.543 1.00 0.00 O ATOM 907 CB VAL A 60 0.702 -5.030 7.037 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.889 -5.519 8.466 1.00 0.00 C ATOM 909 CG2 VAL A 60 1.444 -3.722 6.815 1.00 0.00 C ATOM 0 H VAL A 60 0.194 -5.554 4.263 1.00 0.00 H new ATOM 0 HA VAL A 60 2.213 -6.341 6.257 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.361 -4.851 6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.550 -4.751 9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.308 -6.428 8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.944 -5.729 8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.097 -2.980 7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.514 -3.883 6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.254 -3.363 5.803 1.00 0.00 H new ATOM 919 N SER A 61 0.875 -8.495 5.843 1.00 0.00 N ATOM 920 CA SER A 61 0.138 -9.747 5.909 1.00 0.00 C ATOM 921 C SER A 61 0.859 -10.767 6.779 1.00 0.00 C ATOM 922 O SER A 61 2.031 -10.597 7.112 1.00 0.00 O ATOM 923 CB SER A 61 -0.063 -10.313 4.501 1.00 0.00 C ATOM 924 OG SER A 61 0.805 -9.688 3.573 1.00 0.00 O ATOM 0 H SER A 61 1.841 -8.586 5.527 1.00 0.00 H new ATOM 0 HA SER A 61 -0.833 -9.542 6.359 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.119 -11.388 4.508 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.098 -10.167 4.191 1.00 0.00 H new ATOM 0 HG SER A 61 1.373 -10.365 3.150 1.00 0.00 H new ATOM 930 N ASP A 62 0.153 -11.836 7.125 1.00 0.00 N ATOM 931 CA ASP A 62 0.723 -12.900 7.944 1.00 0.00 C ATOM 932 C ASP A 62 0.730 -14.219 7.177 1.00 0.00 C ATOM 933 O ASP A 62 -0.243 -14.560 6.506 1.00 0.00 O ATOM 934 CB ASP A 62 -0.071 -13.056 9.242 1.00 0.00 C ATOM 935 CG ASP A 62 -1.547 -12.756 9.058 1.00 0.00 C ATOM 936 OD1 ASP A 62 -1.925 -11.568 9.131 1.00 0.00 O ATOM 937 OD2 ASP A 62 -2.323 -13.710 8.841 1.00 0.00 O ATOM 0 H ASP A 62 -0.817 -11.990 6.851 1.00 0.00 H new ATOM 0 HA ASP A 62 1.751 -12.631 8.189 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.046 -14.073 9.616 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.341 -12.388 9.999 1.00 0.00 H new ATOM 942 N CYS A 63 1.843 -14.942 7.255 1.00 0.00 N ATOM 943 CA CYS A 63 1.973 -16.218 6.560 1.00 0.00 C ATOM 944 C CYS A 63 3.074 -17.075 7.183 1.00 0.00 C ATOM 945 O CYS A 63 4.110 -16.559 7.602 1.00 0.00 O ATOM 946 CB CYS A 63 2.274 -15.983 5.078 1.00 0.00 C ATOM 947 SG CYS A 63 3.932 -15.341 4.752 1.00 0.00 S ATOM 0 H CYS A 63 2.666 -14.667 7.791 1.00 0.00 H new ATOM 0 HA CYS A 63 1.027 -16.752 6.656 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.148 -16.922 4.540 1.00 0.00 H new ATOM 0 HB3 CYS A 63 1.540 -15.284 4.676 1.00 0.00 H new ATOM 0 HG CYS A 63 4.695 -15.569 5.779 1.00 0.00 H new ATOM 953 N PRO A 64 2.869 -18.403 7.240 1.00 0.00 N ATOM 954 CA PRO A 64 3.850 -19.332 7.807 1.00 0.00 C ATOM 955 C PRO A 64 5.079 -19.480 6.917 1.00 0.00 C ATOM 956 O PRO A 64 6.089 -20.054 7.326 1.00 0.00 O ATOM 957 CB PRO A 64 3.091 -20.668 7.893 1.00 0.00 C ATOM 958 CG PRO A 64 1.659 -20.340 7.620 1.00 0.00 C ATOM 959 CD PRO A 64 1.671 -19.108 6.766 1.00 0.00 C ATOM 0 HA PRO A 64 4.225 -18.984 8.769 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.474 -21.383 7.165 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.208 -21.122 8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.161 -21.164 7.109 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.115 -20.166 8.548 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.736 -19.350 5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.769 -18.511 6.902 1.00 0.00 H new ATOM 967 N GLN A 65 4.985 -18.960 5.697 1.00 0.00 N ATOM 968 CA GLN A 65 6.087 -19.036 4.743 1.00 0.00 C ATOM 969 C GLN A 65 6.964 -17.789 4.824 1.00 0.00 C ATOM 970 O GLN A 65 6.885 -17.026 5.787 1.00 0.00 O ATOM 971 CB GLN A 65 5.544 -19.202 3.321 1.00 0.00 C ATOM 972 CG GLN A 65 4.412 -20.211 3.214 1.00 0.00 C ATOM 973 CD GLN A 65 4.790 -21.428 2.393 1.00 0.00 C ATOM 974 OE1 GLN A 65 5.965 -21.781 2.286 1.00 0.00 O ATOM 975 NE2 GLN A 65 3.791 -22.082 1.809 1.00 0.00 N ATOM 0 H GLN A 65 4.156 -18.481 5.345 1.00 0.00 H new ATOM 0 HA GLN A 65 6.697 -19.903 4.996 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.193 -18.235 2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.358 -19.511 2.664 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.118 -20.529 4.214 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.543 -19.730 2.765 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.832 -21.755 1.924 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.984 -22.911 1.246 1.00 0.00 H new ATOM 984 N SER A 66 7.802 -17.592 3.810 1.00 0.00 N ATOM 985 CA SER A 66 8.696 -16.441 3.768 1.00 0.00 C ATOM 986 C SER A 66 8.310 -15.487 2.642 1.00 0.00 C ATOM 987 O SER A 66 8.722 -14.327 2.629 1.00 0.00 O ATOM 988 CB SER A 66 10.143 -16.903 3.584 1.00 0.00 C ATOM 989 OG SER A 66 10.731 -17.249 4.825 1.00 0.00 O ATOM 0 H SER A 66 7.880 -18.215 3.006 1.00 0.00 H new ATOM 0 HA SER A 66 8.605 -15.909 4.715 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.171 -17.762 2.913 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.723 -16.110 3.112 1.00 0.00 H new ATOM 0 HG SER A 66 11.655 -17.542 4.679 1.00 0.00 H new ATOM 995 N ILE A 67 7.520 -15.985 1.695 1.00 0.00 N ATOM 996 CA ILE A 67 7.083 -15.179 0.562 1.00 0.00 C ATOM 997 C ILE A 67 5.564 -15.025 0.553 1.00 0.00 C ATOM 998 O ILE A 67 4.843 -15.873 1.079 1.00 0.00 O ATOM 999 CB ILE A 67 7.548 -15.794 -0.775 1.00 0.00 C ATOM 1000 CG1 ILE A 67 7.533 -14.738 -1.882 1.00 0.00 C ATOM 1001 CG2 ILE A 67 6.678 -16.984 -1.157 1.00 0.00 C ATOM 1002 CD1 ILE A 67 8.910 -14.389 -2.403 1.00 0.00 C ATOM 0 H ILE A 67 7.170 -16.943 1.691 1.00 0.00 H new ATOM 0 HA ILE A 67 7.539 -14.195 0.672 1.00 0.00 H new ATOM 0 HB ILE A 67 8.571 -16.150 -0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.921 -15.099 -2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.056 -13.834 -1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.025 -17.400 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.742 -17.746 -0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.643 -16.659 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.823 -13.635 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.519 -13.998 -1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.382 -15.283 -2.812 1.00 0.00 H new ATOM 1014 N ASN A 68 5.085 -13.935 -0.040 1.00 0.00 N ATOM 1015 CA ASN A 68 3.650 -13.674 -0.112 1.00 0.00 C ATOM 1016 C ASN A 68 3.208 -13.436 -1.551 1.00 0.00 C ATOM 1017 O ASN A 68 4.023 -13.449 -2.473 1.00 0.00 O ATOM 1018 CB ASN A 68 3.285 -12.467 0.753 1.00 0.00 C ATOM 1019 CG ASN A 68 2.562 -12.853 2.033 1.00 0.00 C ATOM 1020 OD1 ASN A 68 2.068 -11.992 2.760 1.00 0.00 O ATOM 1021 ND2 ASN A 68 2.495 -14.151 2.319 1.00 0.00 N ATOM 0 H ASN A 68 5.667 -13.220 -0.476 1.00 0.00 H new ATOM 0 HA ASN A 68 3.129 -14.554 0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.193 -11.920 1.006 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.655 -11.790 0.176 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.021 -14.463 3.167 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.917 -14.834 1.690 1.00 0.00 H new ATOM 1028 N ASN A 69 1.907 -13.233 -1.734 1.00 0.00 N ATOM 1029 CA ASN A 69 1.342 -13.018 -3.062 1.00 0.00 C ATOM 1030 C ASN A 69 1.694 -11.640 -3.615 1.00 0.00 C ATOM 1031 O ASN A 69 2.004 -11.504 -4.798 1.00 0.00 O ATOM 1032 CB ASN A 69 -0.178 -13.184 -3.019 1.00 0.00 C ATOM 1033 CG ASN A 69 -0.633 -14.486 -3.646 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -1.429 -14.493 -4.585 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -0.125 -15.600 -3.130 1.00 0.00 N ATOM 0 H ASN A 69 1.223 -13.213 -0.978 1.00 0.00 H new ATOM 0 HA ASN A 69 1.776 -13.765 -3.727 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.516 -13.144 -1.984 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.647 -12.349 -3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.392 -16.507 -3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.532 -15.548 -2.352 1.00 0.00 H new ATOM 1042 N ILE A 70 1.615 -10.616 -2.769 1.00 0.00 N ATOM 1043 CA ILE A 70 1.892 -9.246 -3.204 1.00 0.00 C ATOM 1044 C ILE A 70 3.320 -9.098 -3.740 1.00 0.00 C ATOM 1045 O ILE A 70 3.517 -8.559 -4.830 1.00 0.00 O ATOM 1046 CB ILE A 70 1.649 -8.200 -2.088 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.630 -8.704 -1.055 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.177 -6.887 -2.699 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.682 -9.166 -1.654 1.00 0.00 C ATOM 0 H ILE A 70 1.363 -10.705 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 70 1.185 -9.048 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 70 2.593 -8.036 -1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.073 -9.529 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.429 -7.906 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.008 -6.157 -1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.937 -6.511 -3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.247 -7.053 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.345 -9.506 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.150 -8.339 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.497 -9.986 -2.347 1.00 0.00 H new ATOM 1061 N PRO A 71 4.341 -9.571 -2.996 1.00 0.00 N ATOM 1062 CA PRO A 71 5.740 -9.476 -3.436 1.00 0.00 C ATOM 1063 C PRO A 71 6.022 -10.347 -4.656 1.00 0.00 C ATOM 1064 O PRO A 71 6.698 -9.922 -5.593 1.00 0.00 O ATOM 1065 CB PRO A 71 6.531 -9.983 -2.229 1.00 0.00 C ATOM 1066 CG PRO A 71 5.579 -10.866 -1.504 1.00 0.00 C ATOM 1067 CD PRO A 71 4.227 -10.236 -1.684 1.00 0.00 C ATOM 0 HA PRO A 71 6.002 -8.462 -3.739 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.422 -10.530 -2.539 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.866 -9.159 -1.599 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.597 -11.878 -1.909 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.839 -10.940 -0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.431 -10.981 -1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.005 -9.524 -0.889 1.00 0.00 H new ATOM 1075 N LEU A 72 5.501 -11.571 -4.633 1.00 0.00 N ATOM 1076 CA LEU A 72 5.701 -12.511 -5.730 1.00 0.00 C ATOM 1077 C LEU A 72 5.039 -12.011 -7.009 1.00 0.00 C ATOM 1078 O LEU A 72 5.522 -12.270 -8.112 1.00 0.00 O ATOM 1079 CB LEU A 72 5.138 -13.884 -5.358 1.00 0.00 C ATOM 1080 CG LEU A 72 5.740 -15.060 -6.128 1.00 0.00 C ATOM 1081 CD1 LEU A 72 6.270 -16.111 -5.164 1.00 0.00 C ATOM 1082 CD2 LEU A 72 4.708 -15.666 -7.066 1.00 0.00 C ATOM 0 H LEU A 72 4.937 -11.935 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 72 6.773 -12.597 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.296 -14.048 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.061 -13.875 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 72 6.573 -14.692 -6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.695 -16.941 -5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.041 -15.670 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.455 -16.476 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.153 -16.502 -7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.855 -16.021 -6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.375 -14.910 -7.778 1.00 0.00 H new ATOM 1094 N ASP A 73 3.926 -11.301 -6.856 1.00 0.00 N ATOM 1095 CA ASP A 73 3.194 -10.768 -8.000 1.00 0.00 C ATOM 1096 C ASP A 73 4.035 -9.744 -8.753 1.00 0.00 C ATOM 1097 O ASP A 73 4.294 -9.897 -9.947 1.00 0.00 O ATOM 1098 CB ASP A 73 1.880 -10.132 -7.541 1.00 0.00 C ATOM 1099 CG ASP A 73 0.738 -11.130 -7.498 1.00 0.00 C ATOM 1100 OD1 ASP A 73 1.003 -12.325 -7.250 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.420 -10.716 -7.712 1.00 0.00 O ATOM 0 H ASP A 73 3.511 -11.081 -5.951 1.00 0.00 H new ATOM 0 HA ASP A 73 2.971 -11.594 -8.675 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.016 -9.697 -6.551 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.620 -9.315 -8.215 1.00 0.00 H new ATOM 1106 N ALA A 74 4.463 -8.703 -8.047 1.00 0.00 N ATOM 1107 CA ALA A 74 5.283 -7.657 -8.649 1.00 0.00 C ATOM 1108 C ALA A 74 6.602 -8.225 -9.159 1.00 0.00 C ATOM 1109 O ALA A 74 7.076 -7.848 -10.229 1.00 0.00 O ATOM 1110 CB ALA A 74 5.530 -6.540 -7.651 1.00 0.00 C ATOM 0 H ALA A 74 4.256 -8.561 -7.058 1.00 0.00 H new ATOM 0 HA ALA A 74 4.742 -7.247 -9.502 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.143 -5.767 -8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.577 -6.111 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.048 -6.939 -6.779 1.00 0.00 H new ATOM 1116 N ARG A 75 7.183 -9.144 -8.393 1.00 0.00 N ATOM 1117 CA ARG A 75 8.439 -9.778 -8.778 1.00 0.00 C ATOM 1118 C ARG A 75 8.270 -10.565 -10.075 1.00 0.00 C ATOM 1119 O ARG A 75 9.200 -10.672 -10.873 1.00 0.00 O ATOM 1120 CB ARG A 75 8.929 -10.708 -7.665 1.00 0.00 C ATOM 1121 CG ARG A 75 10.159 -10.191 -6.937 1.00 0.00 C ATOM 1122 CD ARG A 75 10.188 -10.654 -5.490 1.00 0.00 C ATOM 1123 NE ARG A 75 10.609 -12.047 -5.367 1.00 0.00 N ATOM 1124 CZ ARG A 75 11.618 -12.449 -4.600 1.00 0.00 C ATOM 1125 NH1 ARG A 75 12.310 -11.566 -3.891 1.00 0.00 N ATOM 1126 NH2 ARG A 75 11.939 -13.734 -4.541 1.00 0.00 N ATOM 0 H ARG A 75 6.804 -9.466 -7.502 1.00 0.00 H new ATOM 0 HA ARG A 75 9.180 -8.995 -8.939 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.125 -10.853 -6.944 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.154 -11.685 -8.092 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.057 -10.537 -7.448 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.172 -9.102 -6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.867 -10.019 -4.920 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.197 -10.535 -5.052 1.00 0.00 H new ATOM 0 HE ARG A 75 10.100 -12.752 -5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.068 -10.576 -3.934 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.083 -11.877 -3.304 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.411 -14.417 -5.085 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.713 -14.040 -3.952 1.00 0.00 H new ATOM 1140 N ASN A 76 7.074 -11.112 -10.277 1.00 0.00 N ATOM 1141 CA ASN A 76 6.775 -11.884 -11.479 1.00 0.00 C ATOM 1142 C ASN A 76 6.906 -11.016 -12.727 1.00 0.00 C ATOM 1143 O ASN A 76 7.807 -11.217 -13.542 1.00 0.00 O ATOM 1144 CB ASN A 76 5.365 -12.471 -11.398 1.00 0.00 C ATOM 1145 CG ASN A 76 5.157 -13.619 -12.367 1.00 0.00 C ATOM 1146 OD1 ASN A 76 5.699 -14.709 -12.180 1.00 0.00 O ATOM 1147 ND2 ASN A 76 4.369 -13.379 -13.408 1.00 0.00 N ATOM 0 H ASN A 76 6.295 -11.034 -9.623 1.00 0.00 H new ATOM 0 HA ASN A 76 7.496 -12.699 -11.546 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.178 -12.819 -10.382 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.636 -11.688 -11.606 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.192 -14.113 -14.093 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.941 -12.460 -13.523 1.00 0.00 H new ATOM 1154 N HIS A 77 6.004 -10.050 -12.866 1.00 0.00 N ATOM 1155 CA HIS A 77 6.025 -9.143 -14.008 1.00 0.00 C ATOM 1156 C HIS A 77 7.332 -8.358 -14.045 1.00 0.00 C ATOM 1157 O HIS A 77 7.848 -8.040 -15.117 1.00 0.00 O ATOM 1158 CB HIS A 77 4.837 -8.180 -13.943 1.00 0.00 C ATOM 1159 CG HIS A 77 3.902 -8.303 -15.106 1.00 0.00 C ATOM 1160 ND1 HIS A 77 2.657 -8.870 -14.970 1.00 0.00 N ATOM 1161 CD2 HIS A 77 4.077 -7.922 -16.396 1.00 0.00 C ATOM 1162 CE1 HIS A 77 2.104 -8.822 -16.169 1.00 0.00 C ATOM 1163 NE2 HIS A 77 2.928 -8.256 -17.064 1.00 0.00 N ATOM 0 H HIS A 77 5.250 -9.875 -12.202 1.00 0.00 H new ATOM 0 HA HIS A 77 5.949 -9.737 -14.919 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.283 -8.361 -13.022 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.211 -7.157 -13.895 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.952 -7.448 -16.815 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.115 -9.191 -16.399 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.736 -8.103 -18.054 1.00 0.00 H new ATOM 1171 N GLY A 78 7.864 -8.060 -12.864 1.00 0.00 N ATOM 1172 CA GLY A 78 9.117 -7.334 -12.772 1.00 0.00 C ATOM 1173 C GLY A 78 8.926 -5.837 -12.623 1.00 0.00 C ATOM 1174 O GLY A 78 8.785 -5.121 -13.614 1.00 0.00 O ATOM 0 H GLY A 78 7.448 -8.309 -11.967 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.686 -7.708 -11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.711 -7.532 -13.664 1.00 0.00 H new ATOM 1178 N TYR A 79 8.938 -5.361 -11.380 1.00 0.00 N ATOM 1179 CA TYR A 79 8.794 -3.935 -11.105 1.00 0.00 C ATOM 1180 C TYR A 79 10.166 -3.283 -10.960 1.00 0.00 C ATOM 1181 O TYR A 79 11.187 -3.892 -11.278 1.00 0.00 O ATOM 1182 CB TYR A 79 7.965 -3.711 -9.834 1.00 0.00 C ATOM 1183 CG TYR A 79 6.825 -2.728 -10.007 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.968 -1.590 -10.793 1.00 0.00 C ATOM 1185 CD2 TYR A 79 5.606 -2.934 -9.370 1.00 0.00 C ATOM 1186 CE1 TYR A 79 5.928 -0.692 -10.947 1.00 0.00 C ATOM 1187 CE2 TYR A 79 4.562 -2.040 -9.520 1.00 0.00 C ATOM 1188 CZ TYR A 79 4.729 -0.921 -10.309 1.00 0.00 C ATOM 1189 OH TYR A 79 3.692 -0.030 -10.460 1.00 0.00 O ATOM 0 H TYR A 79 9.046 -5.942 -10.549 1.00 0.00 H new ATOM 0 HA TYR A 79 8.272 -3.474 -11.944 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.560 -4.667 -9.504 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.623 -3.353 -9.042 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.908 -1.404 -11.292 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.473 -3.807 -8.748 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.055 0.185 -11.565 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.620 -2.217 -9.022 1.00 0.00 H new ATOM 0 HH TYR A 79 3.346 0.221 -9.578 1.00 0.00 H new ATOM 1199 N THR A 80 10.187 -2.043 -10.483 1.00 0.00 N ATOM 1200 CA THR A 80 11.439 -1.317 -10.304 1.00 0.00 C ATOM 1201 C THR A 80 12.171 -1.792 -9.054 1.00 0.00 C ATOM 1202 O THR A 80 13.282 -2.317 -9.136 1.00 0.00 O ATOM 1203 CB THR A 80 11.173 0.187 -10.217 1.00 0.00 C ATOM 1204 OG1 THR A 80 10.561 0.653 -11.406 1.00 0.00 O ATOM 1205 CG2 THR A 80 12.425 1.008 -9.993 1.00 0.00 C ATOM 0 H THR A 80 9.353 -1.521 -10.214 1.00 0.00 H new ATOM 0 HA THR A 80 12.072 -1.516 -11.169 1.00 0.00 H new ATOM 0 HB THR A 80 10.518 0.316 -9.355 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.129 1.336 -11.820 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.163 2.065 -9.941 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.896 0.705 -9.058 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.119 0.846 -10.818 1.00 0.00 H new ATOM 1213 N VAL A 81 11.543 -1.605 -7.897 1.00 0.00 N ATOM 1214 CA VAL A 81 12.141 -2.014 -6.631 1.00 0.00 C ATOM 1215 C VAL A 81 11.188 -2.894 -5.825 1.00 0.00 C ATOM 1216 O VAL A 81 10.016 -2.565 -5.657 1.00 0.00 O ATOM 1217 CB VAL A 81 12.545 -0.797 -5.775 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.335 -1.240 -4.554 1.00 0.00 C ATOM 1219 CG2 VAL A 81 13.343 0.198 -6.603 1.00 0.00 C ATOM 0 H VAL A 81 10.623 -1.174 -7.810 1.00 0.00 H new ATOM 0 HA VAL A 81 13.035 -2.586 -6.880 1.00 0.00 H new ATOM 0 HB VAL A 81 11.637 -0.302 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.611 -0.367 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.724 -1.910 -3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.237 -1.761 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.619 1.050 -5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.245 -0.283 -6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.738 0.542 -7.442 1.00 0.00 H new ATOM 1229 N LEU A 82 11.712 -4.007 -5.326 1.00 0.00 N ATOM 1230 CA LEU A 82 10.933 -4.945 -4.523 1.00 0.00 C ATOM 1231 C LEU A 82 11.710 -5.347 -3.270 1.00 0.00 C ATOM 1232 O LEU A 82 12.601 -6.196 -3.329 1.00 0.00 O ATOM 1233 CB LEU A 82 10.594 -6.193 -5.346 1.00 0.00 C ATOM 1234 CG LEU A 82 9.101 -6.443 -5.583 1.00 0.00 C ATOM 1235 CD1 LEU A 82 8.381 -6.675 -4.263 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.477 -5.279 -6.339 1.00 0.00 C ATOM 0 H LEU A 82 12.684 -4.285 -5.465 1.00 0.00 H new ATOM 0 HA LEU A 82 10.007 -4.455 -4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.089 -6.114 -6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.015 -7.064 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 82 8.996 -7.341 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.322 -6.851 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.809 -7.544 -3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.495 -5.797 -3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.417 -5.475 -6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.594 -4.364 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.973 -5.163 -7.303 1.00 0.00 H new ATOM 1248 N ASP A 83 11.372 -4.731 -2.140 1.00 0.00 N ATOM 1249 CA ASP A 83 12.046 -5.024 -0.878 1.00 0.00 C ATOM 1250 C ASP A 83 11.044 -5.462 0.184 1.00 0.00 C ATOM 1251 O ASP A 83 9.855 -5.160 0.088 1.00 0.00 O ATOM 1252 CB ASP A 83 12.817 -3.795 -0.393 1.00 0.00 C ATOM 1253 CG ASP A 83 14.110 -4.162 0.308 1.00 0.00 C ATOM 1254 OD1 ASP A 83 14.042 -4.745 1.411 1.00 0.00 O ATOM 1255 OD2 ASP A 83 15.190 -3.865 -0.244 1.00 0.00 O ATOM 0 H ASP A 83 10.637 -4.027 -2.072 1.00 0.00 H new ATOM 0 HA ASP A 83 12.747 -5.841 -1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.039 -3.150 -1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.188 -3.221 0.288 1.00 0.00 H new ATOM 1260 N ILE A 84 11.525 -6.193 1.188 1.00 0.00 N ATOM 1261 CA ILE A 84 10.657 -6.686 2.253 1.00 0.00 C ATOM 1262 C ILE A 84 11.348 -6.643 3.613 1.00 0.00 C ATOM 1263 O ILE A 84 12.531 -6.318 3.715 1.00 0.00 O ATOM 1264 CB ILE A 84 10.186 -8.130 1.981 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.360 -9.115 2.071 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.503 -8.222 0.624 1.00 0.00 C ATOM 1267 CD1 ILE A 84 12.352 -9.010 0.929 1.00 0.00 C ATOM 0 H ILE A 84 12.506 -6.455 1.285 1.00 0.00 H new ATOM 0 HA ILE A 84 9.793 -6.022 2.270 1.00 0.00 H new ATOM 0 HB ILE A 84 9.461 -8.403 2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.887 -8.949 3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.965 -10.131 2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.178 -9.247 0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.638 -7.559 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.204 -7.926 -0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 84 13.149 -9.740 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 84 11.843 -9.207 -0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.779 -8.007 0.909 1.00 0.00 H new ATOM 1279 N GLN A 85 10.591 -6.983 4.653 1.00 0.00 N ATOM 1280 CA GLN A 85 11.106 -7.001 6.017 1.00 0.00 C ATOM 1281 C GLN A 85 10.313 -7.984 6.873 1.00 0.00 C ATOM 1282 O GLN A 85 9.247 -8.448 6.470 1.00 0.00 O ATOM 1283 CB GLN A 85 11.037 -5.602 6.633 1.00 0.00 C ATOM 1284 CG GLN A 85 12.257 -4.745 6.333 1.00 0.00 C ATOM 1285 CD GLN A 85 12.335 -3.511 7.210 1.00 0.00 C ATOM 1286 OE1 GLN A 85 12.289 -2.383 6.719 1.00 0.00 O ATOM 1287 NE2 GLN A 85 12.458 -3.719 8.515 1.00 0.00 N ATOM 0 H GLN A 85 9.610 -7.252 4.574 1.00 0.00 H new ATOM 0 HA GLN A 85 12.147 -7.321 5.985 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.146 -5.094 6.263 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.925 -5.695 7.713 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.158 -5.342 6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.234 -4.441 5.286 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.492 -4.671 8.879 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.518 -2.926 9.154 1.00 0.00 H new ATOM 1296 N GLN A 86 10.836 -8.299 8.052 1.00 0.00 N ATOM 1297 CA GLN A 86 10.169 -9.226 8.961 1.00 0.00 C ATOM 1298 C GLN A 86 10.397 -8.822 10.412 1.00 0.00 C ATOM 1299 O GLN A 86 11.463 -8.312 10.762 1.00 0.00 O ATOM 1300 CB GLN A 86 10.677 -10.652 8.733 1.00 0.00 C ATOM 1301 CG GLN A 86 9.893 -11.706 9.499 1.00 0.00 C ATOM 1302 CD GLN A 86 10.017 -13.086 8.885 1.00 0.00 C ATOM 1303 OE1 GLN A 86 9.016 -13.762 8.643 1.00 0.00 O ATOM 1304 NE2 GLN A 86 11.248 -13.515 8.632 1.00 0.00 N ATOM 0 H GLN A 86 11.719 -7.927 8.402 1.00 0.00 H new ATOM 0 HA GLN A 86 9.099 -9.190 8.755 1.00 0.00 H new ATOM 0 HB2 GLN A 86 10.631 -10.879 7.668 1.00 0.00 H new ATOM 0 HB3 GLN A 86 11.726 -10.707 9.026 1.00 0.00 H new ATOM 0 HG2 GLN A 86 10.246 -11.738 10.530 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.842 -11.420 9.531 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.049 -12.922 8.848 1.00 0.00 H new ATOM 0 HE22 GLN A 86 11.392 -14.437 8.221 1.00 0.00 H new ATOM 1313 N ASP A 87 9.395 -9.048 11.256 1.00 0.00 N ATOM 1314 CA ASP A 87 9.503 -8.705 12.669 1.00 0.00 C ATOM 1315 C ASP A 87 9.371 -9.947 13.542 1.00 0.00 C ATOM 1316 O ASP A 87 10.370 -10.532 13.962 1.00 0.00 O ATOM 1317 CB ASP A 87 8.436 -7.677 13.050 1.00 0.00 C ATOM 1318 CG ASP A 87 9.015 -6.496 13.803 1.00 0.00 C ATOM 1319 OD1 ASP A 87 9.820 -6.720 14.732 1.00 0.00 O ATOM 1320 OD2 ASP A 87 8.665 -5.346 13.463 1.00 0.00 O ATOM 0 H ASP A 87 8.504 -9.465 10.988 1.00 0.00 H new ATOM 0 HA ASP A 87 10.488 -8.271 12.838 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.940 -7.321 12.147 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.675 -8.158 13.664 1.00 0.00 H new ATOM 1325 N GLY A 88 8.133 -10.344 13.810 1.00 0.00 N ATOM 1326 CA GLY A 88 7.889 -11.518 14.625 1.00 0.00 C ATOM 1327 C GLY A 88 6.818 -12.413 14.034 1.00 0.00 C ATOM 1328 O GLY A 88 7.098 -13.207 13.137 1.00 0.00 O ATOM 0 H GLY A 88 7.292 -9.872 13.477 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.815 -12.083 14.731 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.589 -11.207 15.626 1.00 0.00 H new ATOM 1332 N PRO A 89 5.563 -12.293 14.504 1.00 0.00 N ATOM 1333 CA PRO A 89 4.456 -13.105 14.004 1.00 0.00 C ATOM 1334 C PRO A 89 3.848 -12.537 12.726 1.00 0.00 C ATOM 1335 O PRO A 89 2.831 -13.034 12.242 1.00 0.00 O ATOM 1336 CB PRO A 89 3.449 -13.040 15.148 1.00 0.00 C ATOM 1337 CG PRO A 89 3.665 -11.698 15.759 1.00 0.00 C ATOM 1338 CD PRO A 89 5.128 -11.373 15.576 1.00 0.00 C ATOM 0 HA PRO A 89 4.769 -14.115 13.740 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.427 -13.151 14.784 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.618 -13.837 15.872 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.038 -10.947 15.278 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.399 -11.706 16.816 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.274 -10.331 15.292 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.692 -11.535 16.495 1.00 0.00 H new ATOM 1346 N THR A 90 4.466 -11.486 12.188 1.00 0.00 N ATOM 1347 CA THR A 90 3.972 -10.860 10.966 1.00 0.00 C ATOM 1348 C THR A 90 5.119 -10.507 10.026 1.00 0.00 C ATOM 1349 O THR A 90 6.292 -10.651 10.374 1.00 0.00 O ATOM 1350 CB THR A 90 3.163 -9.600 11.291 1.00 0.00 C ATOM 1351 OG1 THR A 90 4.027 -8.509 11.563 1.00 0.00 O ATOM 1352 CG2 THR A 90 2.238 -9.760 12.478 1.00 0.00 C ATOM 0 H THR A 90 5.304 -11.054 12.577 1.00 0.00 H new ATOM 0 HA THR A 90 3.323 -11.580 10.467 1.00 0.00 H new ATOM 0 HB THR A 90 2.554 -9.416 10.406 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.494 -7.712 11.767 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.699 -8.828 12.647 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.525 -10.560 12.279 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.823 -10.007 13.364 1.00 0.00 H new ATOM 1360 N ILE A 91 4.765 -10.035 8.834 1.00 0.00 N ATOM 1361 CA ILE A 91 5.751 -9.662 7.829 1.00 0.00 C ATOM 1362 C ILE A 91 5.269 -8.460 7.018 1.00 0.00 C ATOM 1363 O ILE A 91 4.076 -8.322 6.751 1.00 0.00 O ATOM 1364 CB ILE A 91 6.052 -10.843 6.885 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.003 -10.414 5.766 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.758 -11.401 6.309 1.00 0.00 C ATOM 1367 CD1 ILE A 91 7.930 -11.517 5.304 1.00 0.00 C ATOM 0 H ILE A 91 3.797 -9.902 8.541 1.00 0.00 H new ATOM 0 HA ILE A 91 6.669 -9.391 8.351 1.00 0.00 H new ATOM 0 HB ILE A 91 6.542 -11.629 7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.417 -10.064 4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.600 -9.570 6.111 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.985 -12.234 5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.118 -11.748 7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.243 -10.621 5.749 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.575 -11.141 4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.542 -11.852 6.141 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.341 -12.353 4.928 1.00 0.00 H new ATOM 1379 N ARG A 92 6.201 -7.587 6.642 1.00 0.00 N ATOM 1380 CA ARG A 92 5.862 -6.386 5.888 1.00 0.00 C ATOM 1381 C ARG A 92 6.643 -6.321 4.575 1.00 0.00 C ATOM 1382 O ARG A 92 7.834 -6.626 4.532 1.00 0.00 O ATOM 1383 CB ARG A 92 6.141 -5.141 6.739 1.00 0.00 C ATOM 1384 CG ARG A 92 6.442 -3.889 5.932 1.00 0.00 C ATOM 1385 CD ARG A 92 7.258 -2.892 6.739 1.00 0.00 C ATOM 1386 NE ARG A 92 6.557 -1.622 6.912 1.00 0.00 N ATOM 1387 CZ ARG A 92 5.684 -1.387 7.889 1.00 0.00 C ATOM 1388 NH1 ARG A 92 5.404 -2.334 8.775 1.00 0.00 N ATOM 1389 NH2 ARG A 92 5.090 -0.205 7.978 1.00 0.00 N ATOM 0 H ARG A 92 7.195 -7.690 6.847 1.00 0.00 H new ATOM 0 HA ARG A 92 4.800 -6.421 5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.278 -4.950 7.377 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.985 -5.347 7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.987 -4.160 5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 92 5.508 -3.425 5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.485 -3.317 7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.211 -2.715 6.240 1.00 0.00 H new ATOM 0 HE ARG A 92 6.747 -0.873 6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.858 -3.245 8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 92 4.735 -2.151 9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.302 0.525 7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.421 -0.025 8.727 1.00 0.00 H new ATOM 1403 N TYR A 93 5.956 -5.916 3.511 1.00 0.00 N ATOM 1404 CA TYR A 93 6.563 -5.797 2.192 1.00 0.00 C ATOM 1405 C TYR A 93 6.381 -4.381 1.654 1.00 0.00 C ATOM 1406 O TYR A 93 5.401 -3.712 1.980 1.00 0.00 O ATOM 1407 CB TYR A 93 5.932 -6.804 1.222 1.00 0.00 C ATOM 1408 CG TYR A 93 5.723 -8.188 1.805 1.00 0.00 C ATOM 1409 CD1 TYR A 93 4.754 -8.424 2.776 1.00 0.00 C ATOM 1410 CD2 TYR A 93 6.472 -9.268 1.358 1.00 0.00 C ATOM 1411 CE1 TYR A 93 4.560 -9.688 3.299 1.00 0.00 C ATOM 1412 CE2 TYR A 93 6.285 -10.533 1.875 1.00 0.00 C ATOM 1413 CZ TYR A 93 5.327 -10.740 2.842 1.00 0.00 C ATOM 1414 OH TYR A 93 5.135 -12.002 3.355 1.00 0.00 O ATOM 0 H TYR A 93 4.968 -5.663 3.539 1.00 0.00 H new ATOM 0 HA TYR A 93 7.628 -6.011 2.281 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.970 -6.415 0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.566 -6.887 0.340 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.143 -7.605 3.127 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.216 -9.115 0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.812 -9.852 4.061 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.887 -11.357 1.523 1.00 0.00 H new ATOM 0 HH TYR A 93 5.755 -12.628 2.925 1.00 0.00 H new ATOM 1424 N LEU A 94 7.326 -3.917 0.844 1.00 0.00 N ATOM 1425 CA LEU A 94 7.246 -2.571 0.284 1.00 0.00 C ATOM 1426 C LEU A 94 8.013 -2.459 -1.030 1.00 0.00 C ATOM 1427 O LEU A 94 9.122 -2.976 -1.161 1.00 0.00 O ATOM 1428 CB LEU A 94 7.785 -1.548 1.286 1.00 0.00 C ATOM 1429 CG LEU A 94 8.970 -2.027 2.126 1.00 0.00 C ATOM 1430 CD1 LEU A 94 10.001 -0.919 2.270 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.498 -2.502 3.490 1.00 0.00 C ATOM 0 H LEU A 94 8.150 -4.447 0.562 1.00 0.00 H new ATOM 0 HA LEU A 94 6.196 -2.363 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.083 -0.652 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.976 -1.259 1.957 1.00 0.00 H new ATOM 0 HG LEU A 94 9.439 -2.868 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.838 -1.276 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.361 -0.627 1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.545 -0.059 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.354 -2.839 4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.004 -1.681 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.796 -3.327 3.365 1.00 0.00 H new ATOM 1443 N ILE A 95 7.419 -1.760 -1.994 1.00 0.00 N ATOM 1444 CA ILE A 95 8.049 -1.549 -3.293 1.00 0.00 C ATOM 1445 C ILE A 95 8.033 -0.066 -3.662 1.00 0.00 C ATOM 1446 O ILE A 95 7.268 0.713 -3.096 1.00 0.00 O ATOM 1447 CB ILE A 95 7.366 -2.385 -4.406 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.281 -1.575 -5.130 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.770 -3.656 -3.822 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.769 -0.896 -6.391 1.00 0.00 C ATOM 0 H ILE A 95 6.499 -1.329 -1.899 1.00 0.00 H new ATOM 0 HA ILE A 95 9.083 -1.885 -3.212 1.00 0.00 H new ATOM 0 HB ILE A 95 8.129 -2.653 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.453 -2.237 -5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.889 -0.819 -4.449 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.294 -4.232 -4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.560 -4.252 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.028 -3.396 -3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.948 -0.343 -6.848 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.577 -0.207 -6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.134 -1.648 -7.091 1.00 0.00 H new ATOM 1462 N GLN A 96 8.888 0.320 -4.604 1.00 0.00 N ATOM 1463 CA GLN A 96 8.961 1.710 -5.042 1.00 0.00 C ATOM 1464 C GLN A 96 9.439 1.802 -6.488 1.00 0.00 C ATOM 1465 O GLN A 96 10.270 1.008 -6.928 1.00 0.00 O ATOM 1466 CB GLN A 96 9.903 2.503 -4.131 1.00 0.00 C ATOM 1467 CG GLN A 96 11.195 1.772 -3.805 1.00 0.00 C ATOM 1468 CD GLN A 96 12.417 2.663 -3.916 1.00 0.00 C ATOM 1469 OE1 GLN A 96 13.233 2.735 -2.998 1.00 0.00 O ATOM 1470 NE2 GLN A 96 12.550 3.347 -5.046 1.00 0.00 N ATOM 0 H GLN A 96 9.538 -0.308 -5.077 1.00 0.00 H new ATOM 0 HA GLN A 96 7.960 2.137 -4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.144 3.452 -4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.384 2.737 -3.202 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.135 1.370 -2.794 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.307 0.923 -4.479 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.849 3.258 -5.782 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.353 3.962 -5.178 1.00 0.00 H new ATOM 1479 N LYS A 97 8.922 2.786 -7.219 1.00 0.00 N ATOM 1480 CA LYS A 97 9.301 2.986 -8.613 1.00 0.00 C ATOM 1481 C LYS A 97 9.842 4.395 -8.828 1.00 0.00 C ATOM 1482 O LYS A 97 10.582 4.601 -9.815 1.00 0.00 O ATOM 1483 CB LYS A 97 8.099 2.744 -9.529 1.00 0.00 C ATOM 1484 CG LYS A 97 8.452 2.744 -11.008 1.00 0.00 C ATOM 1485 CD LYS A 97 7.827 3.925 -11.733 1.00 0.00 C ATOM 1486 CE LYS A 97 8.869 4.728 -12.495 1.00 0.00 C ATOM 1487 NZ LYS A 97 9.687 3.869 -13.396 1.00 0.00 N ATOM 1488 OXT LYS A 97 9.531 5.279 -8.003 1.00 0.00 O ATOM 0 H LYS A 97 8.239 3.457 -6.868 1.00 0.00 H new ATOM 0 HA LYS A 97 10.086 2.271 -8.859 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.644 1.787 -9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.350 3.514 -9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.535 2.777 -11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.111 1.815 -11.464 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.065 3.566 -12.425 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.324 4.570 -11.013 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.373 5.500 -13.083 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.523 5.237 -11.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.967 4.415 -14.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.538 3.549 -12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.128 3.043 -13.690 1.00 0.00 H new TER 1502 LYS A 97