USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 160 SER OG : rot -161:sc= 1.07 USER MOD Set 1.2: A 163 SER OG : rot 77:sc= 1.1 USER MOD Set 2.1: A 107 CYS SG : rot 164:sc= 0.642 USER MOD Set 2.2: A 138 SER OG : rot 100:sc= 0.582 USER MOD Set 3.1: A 100 HIS : no HD1:sc= -0.431 K(o=-1.1,f=-5.6!) USER MOD Set 3.2: A 120 GLN : amide:sc= -0.666 X(o=-1.1,f=-0.79) USER MOD Set 4.1: A 82 HIS : no HE2:sc=0.000263 K(o=0.00026,f=-1.3) USER MOD Set 4.2: A 85 HIS : no HD1:sc= 0 X(o=0.00026,f=-0.2) USER MOD Single : A 80 MET CE :methyl 179:sc= 0 (180deg=-0.000336) USER MOD Single : A 83 HIS : no HD1:sc= -0.0893 X(o=-0.089,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 86 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=-0.017) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -1.33 F(o=-1.8,f=-1.3) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.0265 X(o=-0.027,f=-0.052) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.0039) USER MOD Single : A 101 MET CE :methyl -162:sc= -0.243 (180deg=-0.454) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.0991 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= -0.505 X(o=-0.5,f=-0.39) USER MOD Single : A 129 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 134 CYS SG : rot -15:sc= -0.0923 USER MOD Single : A 145 SER OG : rot -90:sc= 0.653 USER MOD Single : A 146 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.14) USER MOD Single : A 149 TYR OH : rot 43:sc= 0.263 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 ASN : amide:sc= 0.725 K(o=0.72,f=-6.4!) USER MOD Single : A 158 HIS : no HE2:sc= -0.209 K(o=-0.21,f=-4.5!) USER MOD Single : A 164 TYR OH : rot 60:sc= 0.638 USER MOD Single : A 167 LYS NZ :NH3+ 156:sc= 1.01 (180deg=0.272) USER MOD Single : A 176 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 80 12.610 2.763 13.913 1.00 25.00 N ATOM 2 CA MET A 80 12.183 3.026 12.505 1.00 25.00 C ATOM 3 C MET A 80 12.835 4.259 11.913 1.00 25.00 C ATOM 4 O MET A 80 12.923 4.476 10.727 1.00 25.00 O ATOM 5 CB MET A 80 10.652 3.179 12.449 1.00 25.00 C ATOM 6 CG MET A 80 9.950 1.866 12.847 1.00 25.00 C ATOM 7 SD MET A 80 8.131 1.988 12.757 1.00 25.00 S ATOM 8 CE MET A 80 7.864 1.879 10.954 1.00 25.00 C ATOM 0 HA MET A 80 12.505 2.172 11.909 1.00 25.00 H new ATOM 0 HB2 MET A 80 10.338 3.980 13.118 1.00 25.00 H new ATOM 0 HB3 MET A 80 10.348 3.467 11.443 1.00 25.00 H new ATOM 0 HG2 MET A 80 10.290 1.064 12.192 1.00 25.00 H new ATOM 0 HG3 MET A 80 10.243 1.595 13.861 1.00 25.00 H new ATOM 0 HE1 MET A 80 6.796 1.921 10.741 1.00 25.00 H new ATOM 0 HE2 MET A 80 8.366 2.712 10.461 1.00 25.00 H new ATOM 0 HE3 MET A 80 8.271 0.939 10.582 1.00 25.00 H new ATOM 18 N GLY A 81 13.325 5.099 12.833 1.00 25.00 N ATOM 19 CA GLY A 81 13.980 6.355 12.490 1.00 25.00 C ATOM 20 C GLY A 81 15.265 6.157 11.705 1.00 25.00 C ATOM 21 O GLY A 81 15.590 6.941 10.816 1.00 25.00 O ATOM 0 H GLY A 81 13.275 4.921 13.836 1.00 25.00 H new ATOM 0 HA2 GLY A 81 13.294 6.969 11.906 1.00 25.00 H new ATOM 0 HA3 GLY A 81 14.200 6.906 13.405 1.00 25.00 H new ATOM 25 N HIS A 82 15.991 5.093 12.014 1.00 25.00 N ATOM 26 CA HIS A 82 17.212 4.760 11.282 1.00 25.00 C ATOM 27 C HIS A 82 16.819 4.024 9.998 1.00 25.00 C ATOM 28 O HIS A 82 16.734 2.798 9.968 1.00 25.00 O ATOM 29 CB HIS A 82 18.144 3.898 12.142 1.00 25.00 C ATOM 30 CG HIS A 82 19.454 3.587 11.484 1.00 25.00 C ATOM 31 ND1 HIS A 82 19.613 2.678 10.468 1.00 25.00 N ATOM 32 CD2 HIS A 82 20.704 4.080 11.711 1.00 25.00 C ATOM 33 CE1 HIS A 82 20.895 2.649 10.128 1.00 25.00 C ATOM 34 NE2 HIS A 82 21.611 3.481 10.859 1.00 25.00 N ATOM 0 H HIS A 82 15.759 4.443 12.766 1.00 25.00 H new ATOM 0 HA HIS A 82 17.754 5.672 11.032 1.00 25.00 H new ATOM 0 HB2 HIS A 82 18.334 4.412 13.084 1.00 25.00 H new ATOM 0 HB3 HIS A 82 17.639 2.963 12.385 1.00 25.00 H new ATOM 0 HD1 HIS A 82 18.871 2.119 10.046 1.00 25.00 H new ATOM 0 HD2 HIS A 82 20.949 4.829 12.449 1.00 25.00 H new ATOM 0 HE1 HIS A 82 21.302 2.022 9.349 1.00 25.00 H new ATOM 42 N HIS A 83 16.525 4.787 8.957 1.00 25.00 N ATOM 43 CA HIS A 83 16.089 4.216 7.687 1.00 25.00 C ATOM 44 C HIS A 83 17.241 3.496 6.971 1.00 25.00 C ATOM 45 O HIS A 83 17.087 2.369 6.520 1.00 25.00 O ATOM 46 CB HIS A 83 15.530 5.336 6.800 1.00 25.00 C ATOM 47 CG HIS A 83 14.773 4.845 5.604 1.00 25.00 C ATOM 48 ND1 HIS A 83 14.198 5.667 4.667 1.00 25.00 N ATOM 49 CD2 HIS A 83 14.479 3.579 5.188 1.00 25.00 C ATOM 50 CE1 HIS A 83 13.604 4.908 3.753 1.00 25.00 C ATOM 51 NE2 HIS A 83 13.750 3.626 4.016 1.00 25.00 N ATOM 0 H HIS A 83 16.580 5.806 8.964 1.00 25.00 H new ATOM 0 HA HIS A 83 15.313 3.476 7.884 1.00 25.00 H new ATOM 0 HB2 HIS A 83 14.873 5.967 7.399 1.00 25.00 H new ATOM 0 HB3 HIS A 83 16.354 5.964 6.463 1.00 25.00 H new ATOM 0 HD2 HIS A 83 14.773 2.674 5.700 1.00 25.00 H new ATOM 0 HE1 HIS A 83 13.067 5.295 2.899 1.00 25.00 H new ATOM 0 HE2 HIS A 83 13.400 2.838 3.471 1.00 25.00 H new ATOM 59 N HIS A 84 18.388 4.155 6.876 1.00 25.00 N ATOM 60 CA HIS A 84 19.563 3.602 6.200 1.00 25.00 C ATOM 61 C HIS A 84 20.811 4.107 6.908 1.00 25.00 C ATOM 62 O HIS A 84 20.739 5.045 7.696 1.00 25.00 O ATOM 63 CB HIS A 84 19.610 4.050 4.728 1.00 25.00 C ATOM 64 CG HIS A 84 18.660 3.310 3.838 1.00 25.00 C ATOM 65 ND1 HIS A 84 17.379 3.711 3.557 1.00 25.00 N ATOM 66 CD2 HIS A 84 18.828 2.155 3.135 1.00 25.00 C ATOM 67 CE1 HIS A 84 16.834 2.819 2.734 1.00 25.00 C ATOM 68 NE2 HIS A 84 17.677 1.851 2.437 1.00 25.00 N ATOM 0 H HIS A 84 18.534 5.087 7.264 1.00 25.00 H new ATOM 0 HA HIS A 84 19.510 2.514 6.232 1.00 25.00 H new ATOM 0 HB2 HIS A 84 19.387 5.116 4.675 1.00 25.00 H new ATOM 0 HB3 HIS A 84 20.624 3.918 4.350 1.00 25.00 H new ATOM 0 HD2 HIS A 84 19.731 1.563 3.125 1.00 25.00 H new ATOM 0 HE1 HIS A 84 15.824 2.881 2.356 1.00 25.00 H new ATOM 0 HE2 HIS A 84 17.514 1.051 1.825 1.00 25.00 H new ATOM 76 N HIS A 85 21.948 3.503 6.588 1.00 25.00 N ATOM 77 CA HIS A 85 23.247 3.925 7.107 1.00 25.00 C ATOM 78 C HIS A 85 24.029 4.453 5.906 1.00 25.00 C ATOM 79 O HIS A 85 23.704 4.111 4.768 1.00 25.00 O ATOM 80 CB HIS A 85 23.969 2.738 7.753 1.00 25.00 C ATOM 81 CG HIS A 85 25.072 3.137 8.686 1.00 25.00 C ATOM 82 ND1 HIS A 85 26.366 3.394 8.301 1.00 25.00 N ATOM 83 CD2 HIS A 85 25.064 3.318 10.035 1.00 25.00 C ATOM 84 CE1 HIS A 85 27.065 3.717 9.383 1.00 25.00 C ATOM 85 NE2 HIS A 85 26.322 3.688 10.470 1.00 25.00 N ATOM 0 H HIS A 85 21.998 2.702 5.958 1.00 25.00 H new ATOM 0 HA HIS A 85 23.146 4.691 7.876 1.00 25.00 H new ATOM 0 HB2 HIS A 85 23.243 2.137 8.300 1.00 25.00 H new ATOM 0 HB3 HIS A 85 24.381 2.104 6.968 1.00 25.00 H new ATOM 0 HD2 HIS A 85 24.201 3.191 10.672 1.00 25.00 H new ATOM 0 HE1 HIS A 85 28.114 3.972 9.373 1.00 25.00 H new ATOM 0 HE2 HIS A 85 26.612 3.894 11.426 1.00 25.00 H new ATOM 93 N HIS A 86 25.036 5.279 6.145 1.00 25.00 N ATOM 94 CA HIS A 86 25.811 5.887 5.064 1.00 25.00 C ATOM 95 C HIS A 86 27.307 5.754 5.334 1.00 25.00 C ATOM 96 O HIS A 86 27.700 5.331 6.421 1.00 25.00 O ATOM 97 CB HIS A 86 25.424 7.363 4.930 1.00 25.00 C ATOM 98 CG HIS A 86 23.955 7.577 4.725 1.00 25.00 C ATOM 99 ND1 HIS A 86 23.269 7.217 3.592 1.00 25.00 N ATOM 100 CD2 HIS A 86 23.013 8.115 5.551 1.00 25.00 C ATOM 101 CE1 HIS A 86 21.990 7.537 3.760 1.00 25.00 C ATOM 102 NE2 HIS A 86 21.778 8.095 4.934 1.00 25.00 N ATOM 0 H HIS A 86 25.340 5.547 7.081 1.00 25.00 H new ATOM 0 HA HIS A 86 25.588 5.368 4.131 1.00 25.00 H new ATOM 0 HB2 HIS A 86 25.740 7.897 5.827 1.00 25.00 H new ATOM 0 HB3 HIS A 86 25.968 7.799 4.092 1.00 25.00 H new ATOM 0 HD2 HIS A 86 23.205 8.500 6.542 1.00 25.00 H new ATOM 0 HE1 HIS A 86 21.219 7.361 3.024 1.00 25.00 H new ATOM 0 HE2 HIS A 86 20.893 8.438 5.307 1.00 25.00 H new ATOM 110 N HIS A 87 28.115 6.122 4.341 1.00 25.00 N ATOM 111 CA HIS A 87 29.582 6.025 4.396 1.00 25.00 C ATOM 112 C HIS A 87 30.029 4.554 4.515 1.00 25.00 C ATOM 113 O HIS A 87 29.222 3.648 4.316 1.00 25.00 O ATOM 114 CB HIS A 87 30.151 6.915 5.521 1.00 25.00 C ATOM 115 CG HIS A 87 31.581 7.310 5.315 1.00 25.00 C ATOM 116 ND1 HIS A 87 32.694 7.017 6.043 1.00 25.00 N flip ATOM 117 CD2 HIS A 87 32.031 8.086 4.275 1.00 25.00 C flip ATOM 118 CE1 HIS A 87 33.805 7.584 5.455 1.00 25.00 C flip ATOM 119 NE2 HIS A 87 33.347 8.223 4.398 1.00 25.00 N flip ATOM 0 H HIS A 87 27.769 6.502 3.460 1.00 25.00 H new ATOM 0 HA HIS A 87 29.994 6.404 3.461 1.00 25.00 H new ATOM 0 HB2 HIS A 87 29.543 7.816 5.601 1.00 25.00 H new ATOM 0 HB3 HIS A 87 30.063 6.386 6.470 1.00 25.00 H new ATOM 0 HD2 HIS A 87 31.421 8.511 3.492 1.00 25.00 H new ATOM 0 HE1 HIS A 87 34.830 7.518 5.789 1.00 25.00 H new ATOM 0 HE2 HIS A 87 33.930 8.757 3.754 1.00 25.00 H new ATOM 127 N HIS A 88 31.319 4.337 4.763 1.00 25.00 N ATOM 128 CA HIS A 88 31.921 2.996 4.837 1.00 25.00 C ATOM 129 C HIS A 88 31.733 2.225 3.518 1.00 25.00 C ATOM 130 O HIS A 88 31.474 1.025 3.497 1.00 25.00 O ATOM 131 CB HIS A 88 31.364 2.214 6.039 1.00 25.00 C ATOM 132 CG HIS A 88 32.311 1.184 6.575 1.00 25.00 C ATOM 133 ND1 HIS A 88 33.203 1.407 7.594 1.00 25.00 N ATOM 134 CD2 HIS A 88 32.503 -0.116 6.216 1.00 25.00 C ATOM 135 CE1 HIS A 88 33.879 0.281 7.809 1.00 25.00 C ATOM 136 NE2 HIS A 88 33.492 -0.681 6.997 1.00 25.00 N ATOM 0 H HIS A 88 31.987 5.091 4.921 1.00 25.00 H new ATOM 0 HA HIS A 88 32.994 3.114 4.988 1.00 25.00 H new ATOM 0 HB2 HIS A 88 31.115 2.916 6.835 1.00 25.00 H new ATOM 0 HB3 HIS A 88 30.436 1.724 5.745 1.00 25.00 H new ATOM 0 HD2 HIS A 88 31.961 -0.629 5.435 1.00 25.00 H new ATOM 0 HE1 HIS A 88 34.650 0.170 8.557 1.00 25.00 H new ATOM 0 HE2 HIS A 88 33.846 -1.637 6.954 1.00 25.00 H new ATOM 144 N HIS A 89 31.869 2.941 2.412 1.00 25.00 N ATOM 145 CA HIS A 89 31.745 2.344 1.087 1.00 25.00 C ATOM 146 C HIS A 89 33.107 1.833 0.621 1.00 25.00 C ATOM 147 O HIS A 89 34.142 2.230 1.157 1.00 25.00 O ATOM 148 CB HIS A 89 31.220 3.382 0.090 1.00 25.00 C ATOM 149 CG HIS A 89 29.996 4.105 0.564 1.00 25.00 C ATOM 150 ND1 HIS A 89 28.875 3.489 1.061 1.00 25.00 N ATOM 151 CD2 HIS A 89 29.718 5.437 0.615 1.00 25.00 C ATOM 152 CE1 HIS A 89 27.991 4.428 1.382 1.00 25.00 C ATOM 153 NE2 HIS A 89 28.453 5.638 1.135 1.00 25.00 N ATOM 0 H HIS A 89 32.066 3.942 2.404 1.00 25.00 H new ATOM 0 HA HIS A 89 31.043 1.511 1.139 1.00 25.00 H new ATOM 0 HB2 HIS A 89 32.006 4.110 -0.112 1.00 25.00 H new ATOM 0 HB3 HIS A 89 30.996 2.885 -0.854 1.00 25.00 H new ATOM 0 HD2 HIS A 89 30.388 6.222 0.296 1.00 25.00 H new ATOM 0 HE1 HIS A 89 27.014 4.225 1.795 1.00 25.00 H new ATOM 0 HE2 HIS A 89 27.980 6.528 1.293 1.00 25.00 H new ATOM 161 N HIS A 90 33.108 0.979 -0.391 1.00 25.00 N ATOM 162 CA HIS A 90 34.351 0.500 -0.986 1.00 25.00 C ATOM 163 C HIS A 90 34.875 1.570 -1.942 1.00 25.00 C ATOM 164 O HIS A 90 34.087 2.266 -2.579 1.00 25.00 O ATOM 165 CB HIS A 90 34.104 -0.796 -1.761 1.00 0.00 C ATOM 166 CG HIS A 90 33.404 -1.849 -0.959 1.00 25.00 C ATOM 167 ND1 HIS A 90 33.916 -2.432 0.173 1.00 25.00 N ATOM 168 CD2 HIS A 90 32.188 -2.437 -1.139 1.00 25.00 C ATOM 169 CE1 HIS A 90 33.025 -3.310 0.627 1.00 25.00 C ATOM 170 NE2 HIS A 90 31.952 -3.353 -0.136 1.00 25.00 N ATOM 0 H HIS A 90 32.263 0.602 -0.819 1.00 25.00 H new ATOM 0 HA HIS A 90 35.079 0.303 -0.199 1.00 25.00 H new ATOM 0 HB2 HIS A 90 33.511 -0.572 -2.648 1.00 0.00 H new ATOM 0 HB3 HIS A 90 35.059 -1.190 -2.108 1.00 0.00 H new ATOM 0 HD2 HIS A 90 31.508 -2.218 -1.949 1.00 25.00 H new ATOM 0 HE1 HIS A 90 33.164 -3.913 1.512 1.00 25.00 H new ATOM 0 HE2 HIS A 90 31.125 -3.938 -0.012 1.00 25.00 H new ATOM 178 N HIS A 91 36.191 1.685 -2.057 1.00 25.00 N ATOM 179 CA HIS A 91 36.811 2.661 -2.950 1.00 25.00 C ATOM 180 C HIS A 91 37.989 1.996 -3.652 1.00 25.00 C ATOM 181 O HIS A 91 38.536 1.017 -3.148 1.00 25.00 O ATOM 182 CB HIS A 91 37.305 3.878 -2.156 1.00 25.00 C ATOM 183 CG HIS A 91 36.220 4.588 -1.403 1.00 25.00 C ATOM 184 ND1 HIS A 91 35.928 4.374 -0.080 1.00 25.00 N ATOM 185 CD2 HIS A 91 35.333 5.540 -1.810 1.00 25.00 C ATOM 186 CE1 HIS A 91 34.918 5.167 0.259 1.00 25.00 C ATOM 187 NE2 HIS A 91 34.515 5.905 -0.756 1.00 25.00 N ATOM 0 H HIS A 91 36.856 1.111 -1.540 1.00 25.00 H new ATOM 0 HA HIS A 91 36.078 3.002 -3.681 1.00 25.00 H new ATOM 0 HB2 HIS A 91 38.072 3.554 -1.452 1.00 25.00 H new ATOM 0 HB3 HIS A 91 37.778 4.580 -2.842 1.00 25.00 H new ATOM 0 HD2 HIS A 91 35.277 5.949 -2.808 1.00 25.00 H new ATOM 0 HE1 HIS A 91 34.480 5.203 1.246 1.00 25.00 H new ATOM 0 HE2 HIS A 91 33.764 6.595 -0.763 1.00 25.00 H new ATOM 195 N SER A 92 38.366 2.521 -4.808 1.00 25.00 N ATOM 196 CA SER A 92 39.501 2.003 -5.569 1.00 25.00 C ATOM 197 C SER A 92 40.758 2.782 -5.196 1.00 25.00 C ATOM 198 O SER A 92 40.668 3.889 -4.673 1.00 25.00 O ATOM 199 CB SER A 92 39.224 2.177 -7.060 1.00 25.00 C ATOM 200 OG SER A 92 38.903 3.531 -7.342 1.00 25.00 O ATOM 0 H SER A 92 37.899 3.315 -5.246 1.00 25.00 H new ATOM 0 HA SER A 92 39.645 0.947 -5.341 1.00 25.00 H new ATOM 0 HB2 SER A 92 40.097 1.874 -7.638 1.00 25.00 H new ATOM 0 HB3 SER A 92 38.401 1.529 -7.363 1.00 25.00 H new ATOM 0 HG SER A 92 38.729 3.633 -8.301 1.00 25.00 H new ATOM 206 N SER A 93 41.920 2.228 -5.508 1.00 25.00 N ATOM 207 CA SER A 93 43.197 2.897 -5.270 1.00 25.00 C ATOM 208 C SER A 93 44.175 2.384 -6.318 1.00 25.00 C ATOM 209 O SER A 93 43.910 1.364 -6.955 1.00 25.00 O ATOM 210 CB SER A 93 43.714 2.580 -3.863 1.00 25.00 C ATOM 211 OG SER A 93 43.855 1.181 -3.682 1.00 25.00 O ATOM 0 H SER A 93 42.008 1.305 -5.932 1.00 25.00 H new ATOM 0 HA SER A 93 43.083 3.979 -5.342 1.00 25.00 H new ATOM 0 HB2 SER A 93 44.674 3.070 -3.705 1.00 25.00 H new ATOM 0 HB3 SER A 93 43.025 2.980 -3.119 1.00 25.00 H new ATOM 0 HG SER A 93 44.188 1.000 -2.778 1.00 25.00 H new ATOM 217 N GLY A 94 45.280 3.089 -6.506 1.00 25.00 N ATOM 218 CA GLY A 94 46.289 2.687 -7.470 1.00 25.00 C ATOM 219 C GLY A 94 47.352 3.761 -7.518 1.00 25.00 C ATOM 220 O GLY A 94 47.069 4.901 -7.152 1.00 25.00 O ATOM 0 H GLY A 94 45.500 3.947 -6.000 1.00 25.00 H new ATOM 0 HA2 GLY A 94 46.728 1.731 -7.185 1.00 25.00 H new ATOM 0 HA3 GLY A 94 45.841 2.551 -8.454 1.00 25.00 H new ATOM 224 N HIS A 95 48.555 3.408 -7.944 1.00 25.00 N ATOM 225 CA HIS A 95 49.677 4.343 -8.024 1.00 25.00 C ATOM 226 C HIS A 95 50.364 4.086 -9.360 1.00 25.00 C ATOM 227 O HIS A 95 50.036 3.109 -10.037 1.00 25.00 O ATOM 228 CB HIS A 95 50.680 4.097 -6.888 1.00 25.00 C ATOM 229 CG HIS A 95 50.074 4.099 -5.518 1.00 25.00 C ATOM 230 ND1 HIS A 95 50.410 3.209 -4.532 1.00 25.00 N ATOM 231 CD2 HIS A 95 49.141 4.914 -4.953 1.00 25.00 C ATOM 232 CE1 HIS A 95 49.694 3.493 -3.449 1.00 25.00 C ATOM 233 NE2 HIS A 95 48.895 4.522 -3.650 1.00 25.00 N ATOM 0 H HIS A 95 48.786 2.462 -8.246 1.00 25.00 H new ATOM 0 HA HIS A 95 49.320 5.369 -7.937 1.00 25.00 H new ATOM 0 HB2 HIS A 95 51.171 3.138 -7.054 1.00 25.00 H new ATOM 0 HB3 HIS A 95 51.454 4.863 -6.931 1.00 25.00 H new ATOM 0 HD2 HIS A 95 48.663 5.745 -5.450 1.00 25.00 H new ATOM 0 HE1 HIS A 95 49.759 2.948 -2.519 1.00 25.00 H new ATOM 0 HE2 HIS A 95 48.239 4.938 -2.989 1.00 25.00 H new ATOM 241 N ILE A 96 51.310 4.937 -9.726 1.00 25.00 N ATOM 242 CA ILE A 96 52.108 4.747 -10.932 1.00 25.00 C ATOM 243 C ILE A 96 53.479 5.356 -10.642 1.00 25.00 C ATOM 244 O ILE A 96 53.579 6.379 -9.960 1.00 25.00 O ATOM 245 CB ILE A 96 51.422 5.385 -12.192 1.00 25.00 C ATOM 246 CG1 ILE A 96 52.172 4.958 -13.470 1.00 25.00 C ATOM 247 CG2 ILE A 96 51.330 6.934 -12.073 1.00 25.00 C ATOM 248 CD1 ILE A 96 51.420 5.249 -14.778 1.00 25.00 C ATOM 0 H ILE A 96 51.547 5.777 -9.199 1.00 25.00 H new ATOM 0 HA ILE A 96 52.206 3.689 -11.174 1.00 25.00 H new ATOM 0 HB ILE A 96 50.398 5.015 -12.251 1.00 25.00 H new ATOM 0 HG12 ILE A 96 53.135 5.468 -13.498 1.00 25.00 H new ATOM 0 HG13 ILE A 96 52.379 3.889 -13.415 1.00 25.00 H new ATOM 0 HG21 ILE A 96 50.850 7.339 -12.963 1.00 25.00 H new ATOM 0 HG22 ILE A 96 50.744 7.197 -11.193 1.00 25.00 H new ATOM 0 HG23 ILE A 96 52.332 7.352 -11.979 1.00 25.00 H new ATOM 0 HD11 ILE A 96 52.021 4.916 -15.625 1.00 25.00 H new ATOM 0 HD12 ILE A 96 50.469 4.717 -14.777 1.00 25.00 H new ATOM 0 HD13 ILE A 96 51.237 6.320 -14.862 1.00 25.00 H new ATOM 260 N GLU A 97 54.529 4.702 -11.114 1.00 25.00 N ATOM 261 CA GLU A 97 55.899 5.121 -10.846 1.00 25.00 C ATOM 262 C GLU A 97 56.675 5.191 -12.158 1.00 25.00 C ATOM 263 O GLU A 97 56.211 4.721 -13.198 1.00 25.00 O ATOM 264 CB GLU A 97 56.591 4.125 -9.898 1.00 25.00 C ATOM 265 CG GLU A 97 55.979 4.041 -8.491 1.00 25.00 C ATOM 266 CD GLU A 97 54.674 3.245 -8.441 1.00 25.00 C ATOM 267 OE1 GLU A 97 54.551 2.229 -9.162 1.00 25.00 O ATOM 268 OE2 GLU A 97 53.773 3.633 -7.668 1.00 25.00 O1- ATOM 0 H GLU A 97 54.457 3.866 -11.694 1.00 25.00 H new ATOM 0 HA GLU A 97 55.879 6.103 -10.373 1.00 25.00 H new ATOM 0 HB2 GLU A 97 56.562 3.134 -10.351 1.00 25.00 H new ATOM 0 HB3 GLU A 97 57.641 4.403 -9.806 1.00 25.00 H new ATOM 0 HG2 GLU A 97 56.701 3.582 -7.816 1.00 25.00 H new ATOM 0 HG3 GLU A 97 55.794 5.050 -8.123 1.00 25.00 H new ATOM 275 N GLY A 98 57.873 5.748 -12.095 1.00 25.00 N ATOM 276 CA GLY A 98 58.746 5.833 -13.249 1.00 25.00 C ATOM 277 C GLY A 98 60.136 6.035 -12.699 1.00 25.00 C ATOM 278 O GLY A 98 60.295 6.061 -11.485 1.00 25.00 O ATOM 0 H GLY A 98 58.265 6.152 -11.244 1.00 25.00 H new ATOM 0 HA2 GLY A 98 58.691 4.924 -13.849 1.00 25.00 H new ATOM 0 HA3 GLY A 98 58.458 6.661 -13.897 1.00 25.00 H new ATOM 282 N ARG A 99 61.144 6.173 -13.548 1.00 25.00 N ATOM 283 CA ARG A 99 62.502 6.413 -13.052 1.00 25.00 C ATOM 284 C ARG A 99 62.535 7.845 -12.540 1.00 25.00 C ATOM 285 O ARG A 99 62.038 8.741 -13.203 1.00 25.00 O ATOM 286 CB ARG A 99 63.543 6.204 -14.150 1.00 25.00 C ATOM 287 CG ARG A 99 63.567 4.772 -14.684 1.00 25.00 C ATOM 288 CD ARG A 99 64.780 4.522 -15.570 1.00 25.00 C ATOM 289 NE ARG A 99 64.786 5.395 -16.756 1.00 25.00 N ATOM 290 CZ ARG A 99 65.678 5.346 -17.740 1.00 25.00 C ATOM 291 NH1 ARG A 99 66.662 4.479 -17.749 1.00 25.00 N1+ ATOM 292 NH2 ARG A 99 65.577 6.186 -18.731 1.00 25.00 N ATOM 0 H ARG A 99 61.057 6.125 -14.563 1.00 25.00 H new ATOM 0 HA ARG A 99 62.748 5.707 -12.258 1.00 25.00 H new ATOM 0 HB2 ARG A 99 63.338 6.889 -14.972 1.00 25.00 H new ATOM 0 HB3 ARG A 99 64.529 6.458 -13.761 1.00 25.00 H new ATOM 0 HG2 ARG A 99 63.576 4.072 -13.848 1.00 25.00 H new ATOM 0 HG3 ARG A 99 62.656 4.580 -15.251 1.00 25.00 H new ATOM 0 HD2 ARG A 99 65.690 4.687 -14.994 1.00 25.00 H new ATOM 0 HD3 ARG A 99 64.789 3.479 -15.887 1.00 25.00 H new ATOM 0 HE ARG A 99 64.046 6.093 -16.828 1.00 25.00 H new ATOM 0 HH11 ARG A 99 66.761 3.812 -16.983 1.00 25.00 H new ATOM 0 HH12 ARG A 99 67.328 4.471 -18.522 1.00 25.00 H new ATOM 0 HH21 ARG A 99 64.820 6.870 -18.745 1.00 25.00 H new ATOM 0 HH22 ARG A 99 66.255 6.160 -19.493 1.00 25.00 H new ATOM 306 N HIS A 100 63.071 8.034 -11.348 1.00 25.00 N ATOM 307 CA HIS A 100 63.065 9.328 -10.678 1.00 25.00 C ATOM 308 C HIS A 100 64.232 9.296 -9.703 1.00 25.00 C ATOM 309 O HIS A 100 64.755 8.215 -9.436 1.00 25.00 O ATOM 310 CB HIS A 100 61.735 9.506 -9.927 1.00 25.00 C ATOM 311 CG HIS A 100 61.552 8.549 -8.784 1.00 25.00 C ATOM 312 ND1 HIS A 100 61.496 8.912 -7.459 1.00 25.00 N ATOM 313 CD2 HIS A 100 61.395 7.195 -8.778 1.00 25.00 C ATOM 314 CE1 HIS A 100 61.327 7.814 -6.731 1.00 25.00 C ATOM 315 NE2 HIS A 100 61.260 6.736 -7.485 1.00 25.00 N ATOM 0 H HIS A 100 63.525 7.294 -10.813 1.00 25.00 H new ATOM 0 HA HIS A 100 63.163 10.158 -11.378 1.00 25.00 H new ATOM 0 HB2 HIS A 100 61.676 10.526 -9.548 1.00 25.00 H new ATOM 0 HB3 HIS A 100 60.912 9.380 -10.630 1.00 25.00 H new ATOM 0 HD2 HIS A 100 61.379 6.571 -9.660 1.00 25.00 H new ATOM 0 HE1 HIS A 100 61.254 7.806 -5.654 1.00 25.00 H new ATOM 0 HE2 HIS A 100 61.135 5.771 -7.179 1.00 25.00 H new ATOM 323 N MET A 101 64.647 10.443 -9.179 1.00 25.00 N ATOM 324 CA MET A 101 65.751 10.476 -8.215 1.00 25.00 C ATOM 325 C MET A 101 65.540 11.552 -7.147 1.00 25.00 C ATOM 326 O MET A 101 64.961 12.613 -7.406 1.00 25.00 O ATOM 327 CB MET A 101 67.083 10.681 -8.949 1.00 25.00 C ATOM 328 CG MET A 101 67.208 12.004 -9.668 1.00 25.00 C ATOM 329 SD MET A 101 68.674 12.028 -10.697 1.00 25.00 S ATOM 330 CE MET A 101 68.811 13.763 -11.041 1.00 25.00 C ATOM 0 H MET A 101 64.245 11.354 -9.399 1.00 25.00 H new ATOM 0 HA MET A 101 65.778 9.516 -7.699 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.897 10.596 -8.229 1.00 25.00 H new ATOM 0 HB3 MET A 101 67.212 9.876 -9.672 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.324 12.175 -10.282 1.00 25.00 H new ATOM 0 HG3 MET A 101 67.254 12.816 -8.942 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.458 13.913 -11.905 1.00 25.00 H new ATOM 0 HE2 MET A 101 67.823 14.171 -11.253 1.00 25.00 H new ATOM 0 HE3 MET A 101 69.237 14.273 -10.177 1.00 25.00 H new ATOM 340 N LEU A 102 65.977 11.247 -5.934 1.00 25.00 N ATOM 341 CA LEU A 102 65.808 12.143 -4.793 1.00 25.00 C ATOM 342 C LEU A 102 67.169 12.724 -4.433 1.00 25.00 C ATOM 343 O LEU A 102 68.148 11.986 -4.332 1.00 25.00 O ATOM 344 CB LEU A 102 65.241 11.359 -3.601 1.00 25.00 C ATOM 345 CG LEU A 102 64.790 12.195 -2.391 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.438 12.858 -2.656 1.00 25.00 C ATOM 347 CD2 LEU A 102 64.688 11.308 -1.155 1.00 25.00 C ATOM 0 H LEU A 102 66.457 10.375 -5.710 1.00 25.00 H new ATOM 0 HA LEU A 102 65.115 12.947 -5.044 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.390 10.774 -3.949 1.00 25.00 H new ATOM 0 HB3 LEU A 102 65.999 10.651 -3.265 1.00 25.00 H new ATOM 0 HG LEU A 102 65.532 12.975 -2.223 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.143 13.443 -1.785 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.518 13.514 -3.523 1.00 25.00 H new ATOM 0 HD13 LEU A 102 62.688 12.091 -2.849 1.00 25.00 H new ATOM 0 HD21 LEU A 102 64.368 11.907 -0.303 1.00 25.00 H new ATOM 0 HD22 LEU A 102 63.961 10.516 -1.335 1.00 25.00 H new ATOM 0 HD23 LEU A 102 65.662 10.866 -0.943 1.00 25.00 H new ATOM 359 N LEU A 103 67.234 14.034 -4.255 1.00 25.00 N ATOM 360 CA LEU A 103 68.489 14.716 -3.930 1.00 25.00 C ATOM 361 C LEU A 103 68.300 15.489 -2.645 1.00 25.00 C ATOM 362 O LEU A 103 67.185 15.880 -2.331 1.00 25.00 O ATOM 363 CB LEU A 103 68.865 15.696 -5.044 1.00 25.00 C ATOM 364 CG LEU A 103 69.015 15.093 -6.446 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.289 16.222 -7.430 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.124 14.061 -6.513 1.00 25.00 C ATOM 0 H LEU A 103 66.429 14.655 -4.330 1.00 25.00 H new ATOM 0 HA LEU A 103 69.282 13.976 -3.823 1.00 25.00 H new ATOM 0 HB2 LEU A 103 68.106 16.477 -5.085 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.805 16.178 -4.775 1.00 25.00 H new ATOM 0 HG LEU A 103 68.090 14.576 -6.701 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.399 15.811 -8.434 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.458 16.927 -7.415 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.207 16.737 -7.146 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.190 13.664 -7.526 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.072 14.527 -6.243 1.00 25.00 H new ATOM 0 HD23 LEU A 103 69.908 13.249 -5.818 1.00 25.00 H new ATOM 378 N THR A 104 69.376 15.743 -1.921 1.00 25.00 N ATOM 379 CA THR A 104 69.288 16.505 -0.677 1.00 25.00 C ATOM 380 C THR A 104 69.796 17.921 -0.926 1.00 25.00 C ATOM 381 O THR A 104 70.776 18.110 -1.632 1.00 25.00 O ATOM 382 CB THR A 104 70.124 15.832 0.431 1.00 25.00 C ATOM 383 OG1 THR A 104 69.787 14.445 0.498 1.00 25.00 O ATOM 384 CG2 THR A 104 69.851 16.448 1.798 1.00 25.00 C ATOM 0 H THR A 104 70.318 15.437 -2.167 1.00 25.00 H new ATOM 0 HA THR A 104 68.249 16.537 -0.348 1.00 25.00 H new ATOM 0 HB THR A 104 71.176 15.975 0.183 1.00 25.00 H new ATOM 0 HG1 THR A 104 70.317 14.013 1.200 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.459 15.947 2.551 1.00 25.00 H new ATOM 0 HG22 THR A 104 70.102 17.508 1.776 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.796 16.330 2.046 1.00 25.00 H new ATOM 392 N VAL A 105 69.143 18.916 -0.352 1.00 25.00 N ATOM 393 CA VAL A 105 69.600 20.296 -0.457 1.00 25.00 C ATOM 394 C VAL A 105 69.753 20.854 0.947 1.00 25.00 C ATOM 395 O VAL A 105 68.808 20.857 1.734 1.00 25.00 O ATOM 396 CB VAL A 105 68.617 21.174 -1.269 1.00 25.00 C ATOM 397 CG1 VAL A 105 69.141 22.623 -1.382 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.419 20.590 -2.670 1.00 25.00 C ATOM 0 H VAL A 105 68.290 18.796 0.195 1.00 25.00 H new ATOM 0 HA VAL A 105 70.552 20.310 -0.987 1.00 25.00 H new ATOM 0 HB VAL A 105 67.662 21.186 -0.744 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.434 23.222 -1.957 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.251 23.049 -0.385 1.00 25.00 H new ATOM 0 HG13 VAL A 105 70.108 22.622 -1.885 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.726 21.217 -3.231 1.00 25.00 H new ATOM 0 HG22 VAL A 105 69.377 20.555 -3.188 1.00 25.00 H new ATOM 0 HG23 VAL A 105 68.013 19.582 -2.590 1.00 25.00 H new ATOM 408 N TYR A 106 70.949 21.324 1.258 1.00 25.00 N ATOM 409 CA TYR A 106 71.219 21.943 2.548 1.00 25.00 C ATOM 410 C TYR A 106 71.348 23.439 2.334 1.00 25.00 C ATOM 411 O TYR A 106 72.240 23.892 1.621 1.00 25.00 O ATOM 412 CB TYR A 106 72.505 21.380 3.157 1.00 25.00 C ATOM 413 CG TYR A 106 72.855 21.971 4.514 1.00 25.00 C ATOM 414 CD1 TYR A 106 71.847 22.320 5.440 1.00 25.00 C ATOM 415 CD2 TYR A 106 74.199 22.178 4.885 1.00 25.00 C ATOM 416 CE1 TYR A 106 72.170 22.849 6.708 1.00 25.00 C ATOM 417 CE2 TYR A 106 74.529 22.714 6.165 1.00 25.00 C ATOM 418 CZ TYR A 106 73.504 23.047 7.060 1.00 25.00 C ATOM 419 OH TYR A 106 73.801 23.574 8.290 1.00 25.00 O ATOM 0 H TYR A 106 71.754 21.289 0.632 1.00 25.00 H new ATOM 0 HA TYR A 106 70.404 21.730 3.240 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.405 20.299 3.257 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.331 21.561 2.469 1.00 25.00 H new ATOM 0 HD1 TYR A 106 70.810 22.179 5.173 1.00 25.00 H new ATOM 0 HD2 TYR A 106 74.988 21.928 4.192 1.00 25.00 H new ATOM 0 HE1 TYR A 106 71.384 23.100 7.405 1.00 25.00 H new ATOM 0 HE2 TYR A 106 75.562 22.862 6.442 1.00 25.00 H new ATOM 0 HH TYR A 106 74.773 23.650 8.387 1.00 25.00 H new ATOM 429 N CYS A 107 70.449 24.204 2.927 1.00 25.00 N ATOM 430 CA CYS A 107 70.460 25.649 2.789 1.00 25.00 C ATOM 431 C CYS A 107 71.154 26.256 3.995 1.00 25.00 C ATOM 432 O CYS A 107 70.778 26.005 5.136 1.00 25.00 O ATOM 433 CB CYS A 107 69.034 26.189 2.691 1.00 25.00 C ATOM 434 SG CYS A 107 68.975 27.978 2.407 1.00 25.00 S ATOM 0 H CYS A 107 69.696 23.844 3.514 1.00 25.00 H new ATOM 0 HA CYS A 107 70.994 25.917 1.877 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.513 25.680 1.880 1.00 25.00 H new ATOM 0 HB3 CYS A 107 68.498 25.954 3.611 1.00 25.00 H new ATOM 0 HG CYS A 107 67.786 28.314 2.004 1.00 25.00 H new ATOM 440 N VAL A 108 72.178 27.047 3.727 1.00 25.00 N ATOM 441 CA VAL A 108 72.978 27.677 4.764 1.00 25.00 C ATOM 442 C VAL A 108 72.769 29.180 4.722 1.00 25.00 C ATOM 443 O VAL A 108 72.931 29.807 3.671 1.00 25.00 O ATOM 444 CB VAL A 108 74.488 27.363 4.568 1.00 25.00 C ATOM 445 CG1 VAL A 108 75.329 27.978 5.702 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.709 25.848 4.520 1.00 25.00 C ATOM 0 H VAL A 108 72.480 27.272 2.779 1.00 25.00 H new ATOM 0 HA VAL A 108 72.663 27.282 5.730 1.00 25.00 H new ATOM 0 HB VAL A 108 74.807 27.804 3.623 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.382 27.744 5.542 1.00 25.00 H new ATOM 0 HG12 VAL A 108 75.194 29.060 5.709 1.00 25.00 H new ATOM 0 HG13 VAL A 108 75.007 27.566 6.658 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.770 25.639 4.382 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.369 25.401 5.454 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.145 25.424 3.689 1.00 25.00 H new ATOM 456 N ARG A 109 72.439 29.770 5.863 1.00 25.00 N ATOM 457 CA ARG A 109 72.264 31.213 5.961 1.00 25.00 C ATOM 458 C ARG A 109 73.176 31.737 7.038 1.00 25.00 C ATOM 459 O ARG A 109 73.345 31.111 8.072 1.00 25.00 O ATOM 460 CB ARG A 109 70.815 31.560 6.297 1.00 25.00 C ATOM 461 CG ARG A 109 69.906 31.547 5.078 1.00 25.00 C ATOM 462 CD ARG A 109 68.499 32.031 5.389 1.00 25.00 C ATOM 463 NE ARG A 109 68.497 33.420 5.885 1.00 25.00 N ATOM 464 CZ ARG A 109 67.417 34.155 6.106 1.00 25.00 C ATOM 465 NH1 ARG A 109 66.204 33.710 5.887 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 67.573 35.366 6.559 1.00 25.00 N ATOM 0 H ARG A 109 72.286 29.268 6.738 1.00 25.00 H new ATOM 0 HA ARG A 109 72.510 31.671 5.003 1.00 25.00 H new ATOM 0 HB2 ARG A 109 70.438 30.850 7.033 1.00 25.00 H new ATOM 0 HB3 ARG A 109 70.781 32.547 6.759 1.00 25.00 H new ATOM 0 HG2 ARG A 109 70.339 32.177 4.301 1.00 25.00 H new ATOM 0 HG3 ARG A 109 69.857 30.534 4.677 1.00 25.00 H new ATOM 0 HD2 ARG A 109 67.884 31.964 4.491 1.00 25.00 H new ATOM 0 HD3 ARG A 109 68.046 31.378 6.135 1.00 25.00 H new ATOM 0 HE ARG A 109 69.402 33.851 6.074 1.00 25.00 H new ATOM 0 HH11 ARG A 109 66.064 32.764 5.533 1.00 25.00 H new ATOM 0 HH12 ARG A 109 65.400 34.310 6.071 1.00 25.00 H new ATOM 0 HH21 ARG A 109 68.510 35.728 6.735 1.00 25.00 H new ATOM 0 HH22 ARG A 109 66.758 35.953 6.738 1.00 25.00 H new ATOM 480 N ARG A 110 73.719 32.923 6.806 1.00 25.00 N ATOM 481 CA ARG A 110 74.594 33.596 7.779 1.00 25.00 C ATOM 482 C ARG A 110 73.843 33.987 9.053 1.00 25.00 C ATOM 483 O ARG A 110 74.437 34.454 10.011 1.00 25.00 O ATOM 484 CB ARG A 110 75.179 34.865 7.145 1.00 25.00 C ATOM 485 CG ARG A 110 74.107 35.902 6.792 1.00 25.00 C ATOM 486 CD ARG A 110 74.701 37.224 6.355 1.00 25.00 C ATOM 487 NE ARG A 110 73.629 38.214 6.150 1.00 25.00 N ATOM 488 CZ ARG A 110 73.048 38.928 7.112 1.00 25.00 C ATOM 489 NH1 ARG A 110 73.403 38.840 8.372 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 72.086 39.749 6.796 1.00 25.00 N ATOM 0 H ARG A 110 73.572 33.451 5.946 1.00 25.00 H new ATOM 0 HA ARG A 110 75.384 32.895 8.050 1.00 25.00 H new ATOM 0 HB2 ARG A 110 75.897 35.311 7.833 1.00 25.00 H new ATOM 0 HB3 ARG A 110 75.728 34.595 6.243 1.00 25.00 H new ATOM 0 HG2 ARG A 110 73.475 35.510 5.995 1.00 25.00 H new ATOM 0 HG3 ARG A 110 73.464 36.064 7.657 1.00 25.00 H new ATOM 0 HD2 ARG A 110 75.401 37.584 7.109 1.00 25.00 H new ATOM 0 HD3 ARG A 110 75.266 37.091 5.432 1.00 25.00 H new ATOM 0 HE ARG A 110 73.306 38.364 5.194 1.00 25.00 H new ATOM 0 HH11 ARG A 110 74.152 38.205 8.648 1.00 25.00 H new ATOM 0 HH12 ARG A 110 72.930 39.407 9.076 1.00 25.00 H new ATOM 0 HH21 ARG A 110 71.789 39.837 5.824 1.00 25.00 H new ATOM 0 HH22 ARG A 110 71.630 40.303 7.521 1.00 25.00 H new ATOM 504 N ASP A 111 72.529 33.846 9.014 1.00 25.00 N ATOM 505 CA ASP A 111 71.644 34.281 10.088 1.00 25.00 C ATOM 506 C ASP A 111 71.294 33.125 11.030 1.00 25.00 C ATOM 507 O ASP A 111 70.314 33.199 11.762 1.00 25.00 O ATOM 508 CB ASP A 111 70.361 34.835 9.463 1.00 25.00 C ATOM 509 CG ASP A 111 70.637 35.750 8.286 1.00 25.00 C ATOM 510 OD1 ASP A 111 71.019 36.920 8.487 1.00 25.00 O ATOM 511 OD2 ASP A 111 70.488 35.276 7.129 1.00 25.00 O1- ATOM 0 H ASP A 111 72.038 33.421 8.227 1.00 25.00 H new ATOM 0 HA ASP A 111 72.153 35.046 10.675 1.00 25.00 H new ATOM 0 HB2 ASP A 111 69.733 34.006 9.136 1.00 25.00 H new ATOM 0 HB3 ASP A 111 69.798 35.382 10.220 1.00 25.00 H new ATOM 516 N LEU A 112 72.070 32.043 10.945 1.00 25.00 N ATOM 517 CA LEU A 112 71.855 30.806 11.729 1.00 25.00 C ATOM 518 C LEU A 112 70.452 30.243 11.487 1.00 25.00 C ATOM 519 O LEU A 112 69.773 29.746 12.381 1.00 25.00 O ATOM 520 CB LEU A 112 72.105 31.030 13.230 1.00 25.00 C ATOM 521 CG LEU A 112 73.511 31.519 13.615 1.00 25.00 C ATOM 522 CD1 LEU A 112 73.542 31.852 15.108 1.00 25.00 C ATOM 523 CD2 LEU A 112 74.581 30.463 13.302 1.00 25.00 C ATOM 0 H LEU A 112 72.878 31.991 10.325 1.00 25.00 H new ATOM 0 HA LEU A 112 72.583 30.072 11.384 1.00 25.00 H new ATOM 0 HB2 LEU A 112 71.378 31.755 13.595 1.00 25.00 H new ATOM 0 HB3 LEU A 112 71.912 30.094 13.754 1.00 25.00 H new ATOM 0 HG LEU A 112 73.734 32.409 13.026 1.00 25.00 H new ATOM 0 HD11 LEU A 112 74.538 32.199 15.383 1.00 25.00 H new ATOM 0 HD12 LEU A 112 72.814 32.634 15.322 1.00 25.00 H new ATOM 0 HD13 LEU A 112 73.296 30.960 15.685 1.00 25.00 H new ATOM 0 HD21 LEU A 112 75.562 30.843 13.587 1.00 25.00 H new ATOM 0 HD22 LEU A 112 74.368 29.552 13.862 1.00 25.00 H new ATOM 0 HD23 LEU A 112 74.574 30.243 12.234 1.00 25.00 H new ATOM 535 N SER A 113 70.023 30.406 10.249 1.00 25.00 N ATOM 536 CA SER A 113 68.695 30.027 9.778 1.00 25.00 C ATOM 537 C SER A 113 68.737 28.771 8.912 1.00 25.00 C ATOM 538 O SER A 113 67.976 28.659 7.953 1.00 25.00 O ATOM 539 CB SER A 113 68.077 31.174 9.004 1.00 25.00 C ATOM 540 OG SER A 113 68.029 32.348 9.798 1.00 25.00 O ATOM 0 H SER A 113 70.603 30.818 9.518 1.00 25.00 H new ATOM 0 HA SER A 113 68.082 29.803 10.651 1.00 25.00 H new ATOM 0 HB2 SER A 113 68.657 31.364 8.101 1.00 25.00 H new ATOM 0 HB3 SER A 113 67.070 30.903 8.685 1.00 25.00 H new ATOM 0 HG SER A 113 67.628 33.077 9.280 1.00 25.00 H new ATOM 546 N GLU A 114 69.736 27.930 9.118 1.00 25.00 N ATOM 547 CA GLU A 114 69.999 26.827 8.192 1.00 25.00 C ATOM 548 C GLU A 114 68.946 25.725 8.302 1.00 25.00 C ATOM 549 O GLU A 114 68.384 25.476 9.368 1.00 25.00 O ATOM 550 CB GLU A 114 71.351 26.181 8.514 1.00 25.00 C ATOM 551 CG GLU A 114 72.541 27.082 8.293 1.00 25.00 C ATOM 552 CD GLU A 114 73.170 27.569 9.576 1.00 25.00 C ATOM 553 OE1 GLU A 114 72.423 27.946 10.497 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 74.417 27.649 9.631 1.00 25.00 O1- ATOM 0 H GLU A 114 70.377 27.983 9.910 1.00 25.00 H new ATOM 0 HA GLU A 114 69.984 27.254 7.189 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.346 25.855 9.554 1.00 25.00 H new ATOM 0 HB3 GLU A 114 71.468 25.288 7.901 1.00 25.00 H new ATOM 0 HG2 GLU A 114 73.290 26.546 7.710 1.00 25.00 H new ATOM 0 HG3 GLU A 114 72.231 27.942 7.700 1.00 25.00 H new ATOM 561 N VAL A 115 68.683 25.075 7.177 1.00 25.00 N ATOM 562 CA VAL A 115 67.662 24.031 7.088 1.00 25.00 C ATOM 563 C VAL A 115 68.090 23.075 5.978 1.00 25.00 C ATOM 564 O VAL A 115 68.770 23.481 5.040 1.00 25.00 O ATOM 565 CB VAL A 115 66.243 24.662 6.792 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.204 25.365 5.419 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.127 23.606 6.880 1.00 25.00 C ATOM 0 H VAL A 115 69.169 25.254 6.298 1.00 25.00 H new ATOM 0 HA VAL A 115 67.573 23.493 8.032 1.00 25.00 H new ATOM 0 HB VAL A 115 66.067 25.413 7.562 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.212 25.785 5.253 1.00 25.00 H new ATOM 0 HG12 VAL A 115 66.945 26.164 5.398 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.428 24.643 4.634 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.165 24.075 6.671 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.313 22.818 6.150 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.111 23.176 7.882 1.00 25.00 H new ATOM 577 N THR A 116 67.718 21.810 6.082 1.00 25.00 N ATOM 578 CA THR A 116 68.037 20.826 5.052 1.00 25.00 C ATOM 579 C THR A 116 66.741 20.119 4.696 1.00 25.00 C ATOM 580 O THR A 116 65.865 19.953 5.548 1.00 25.00 O ATOM 581 CB THR A 116 69.132 19.819 5.523 1.00 25.00 C ATOM 582 OG1 THR A 116 69.325 18.812 4.529 1.00 25.00 O ATOM 583 CG2 THR A 116 68.772 19.150 6.841 1.00 25.00 C ATOM 0 H THR A 116 67.192 21.436 6.872 1.00 25.00 H new ATOM 0 HA THR A 116 68.456 21.321 4.176 1.00 25.00 H new ATOM 0 HB THR A 116 70.049 20.389 5.673 1.00 25.00 H new ATOM 0 HG1 THR A 116 70.015 18.184 4.829 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.565 18.459 7.127 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.656 19.909 7.615 1.00 25.00 H new ATOM 0 HG23 THR A 116 67.836 18.602 6.727 1.00 25.00 H new ATOM 591 N PHE A 117 66.595 19.771 3.429 1.00 25.00 N ATOM 592 CA PHE A 117 65.381 19.145 2.921 1.00 25.00 C ATOM 593 C PHE A 117 65.768 18.327 1.700 1.00 25.00 C ATOM 594 O PHE A 117 66.901 18.413 1.236 1.00 25.00 O ATOM 595 CB PHE A 117 64.335 20.213 2.562 1.00 25.00 C ATOM 596 CG PHE A 117 64.856 21.303 1.660 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.800 21.162 0.263 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.380 22.491 2.208 1.00 25.00 C ATOM 599 CE1 PHE A 117 65.254 22.200 -0.589 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.844 23.535 1.367 1.00 25.00 C ATOM 601 CZ PHE A 117 65.779 23.388 -0.036 1.00 25.00 C ATOM 0 H PHE A 117 67.315 19.914 2.720 1.00 25.00 H new ATOM 0 HA PHE A 117 64.933 18.501 3.678 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.488 19.728 2.077 1.00 25.00 H new ATOM 0 HB3 PHE A 117 63.961 20.664 3.481 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.407 20.252 -0.166 1.00 25.00 H new ATOM 0 HD2 PHE A 117 65.429 22.608 3.281 1.00 25.00 H new ATOM 0 HE1 PHE A 117 65.198 22.082 -1.661 1.00 25.00 H new ATOM 0 HE2 PHE A 117 66.246 24.440 1.799 1.00 25.00 H new ATOM 0 HZ PHE A 117 66.129 24.180 -0.682 1.00 25.00 H new ATOM 611 N SER A 118 64.849 17.530 1.183 1.00 25.00 N ATOM 612 CA SER A 118 65.115 16.712 0.005 1.00 25.00 C ATOM 613 C SER A 118 64.162 17.110 -1.104 1.00 25.00 C ATOM 614 O SER A 118 63.023 17.473 -0.835 1.00 25.00 O ATOM 615 CB SER A 118 64.931 15.235 0.339 1.00 25.00 C ATOM 616 OG SER A 118 63.617 14.996 0.821 1.00 25.00 O ATOM 0 H SER A 118 63.907 17.429 1.560 1.00 25.00 H new ATOM 0 HA SER A 118 66.143 16.872 -0.320 1.00 25.00 H new ATOM 0 HB2 SER A 118 65.115 14.629 -0.548 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.661 14.932 1.089 1.00 25.00 H new ATOM 0 HG SER A 118 63.513 14.044 1.029 1.00 25.00 H new ATOM 622 N LEU A 119 64.623 17.025 -2.342 1.00 25.00 N ATOM 623 CA LEU A 119 63.813 17.372 -3.505 1.00 25.00 C ATOM 624 C LEU A 119 63.704 16.187 -4.437 1.00 25.00 C ATOM 625 O LEU A 119 64.661 15.435 -4.628 1.00 25.00 O ATOM 626 CB LEU A 119 64.425 18.546 -4.267 1.00 25.00 C ATOM 627 CG LEU A 119 64.438 19.900 -3.547 1.00 25.00 C ATOM 628 CD1 LEU A 119 65.105 20.909 -4.458 1.00 25.00 C ATOM 629 CD2 LEU A 119 63.033 20.378 -3.198 1.00 25.00 C ATOM 0 H LEU A 119 65.567 16.714 -2.571 1.00 25.00 H new ATOM 0 HA LEU A 119 62.823 17.656 -3.148 1.00 25.00 H new ATOM 0 HB2 LEU A 119 65.452 18.287 -4.524 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.882 18.664 -5.205 1.00 25.00 H new ATOM 0 HG LEU A 119 64.983 19.792 -2.609 1.00 25.00 H new ATOM 0 HD11 LEU A 119 65.127 21.883 -3.968 1.00 25.00 H new ATOM 0 HD12 LEU A 119 66.124 20.588 -4.673 1.00 25.00 H new ATOM 0 HD13 LEU A 119 64.545 20.984 -5.390 1.00 25.00 H new ATOM 0 HD21 LEU A 119 63.092 21.340 -2.690 1.00 25.00 H new ATOM 0 HD22 LEU A 119 62.448 20.485 -4.111 1.00 25.00 H new ATOM 0 HD23 LEU A 119 62.553 19.650 -2.543 1.00 25.00 H new ATOM 641 N GLN A 120 62.531 16.047 -5.026 1.00 25.00 N ATOM 642 CA GLN A 120 62.231 14.952 -5.941 1.00 25.00 C ATOM 643 C GLN A 120 62.299 15.478 -7.366 1.00 25.00 C ATOM 644 O GLN A 120 61.517 16.347 -7.747 1.00 25.00 O ATOM 645 CB GLN A 120 60.831 14.399 -5.630 1.00 25.00 C ATOM 646 CG GLN A 120 60.376 13.283 -6.562 1.00 25.00 C ATOM 647 CD GLN A 120 61.346 12.132 -6.589 1.00 25.00 C ATOM 648 OE1 GLN A 120 61.410 11.330 -5.676 1.00 25.00 O ATOM 649 NE2 GLN A 120 62.113 12.051 -7.631 1.00 25.00 N ATOM 0 H GLN A 120 61.753 16.691 -4.885 1.00 25.00 H new ATOM 0 HA GLN A 120 62.954 14.145 -5.823 1.00 25.00 H new ATOM 0 HB2 GLN A 120 60.819 14.028 -4.605 1.00 25.00 H new ATOM 0 HB3 GLN A 120 60.111 15.216 -5.682 1.00 25.00 H new ATOM 0 HG2 GLN A 120 59.397 12.923 -6.244 1.00 25.00 H new ATOM 0 HG3 GLN A 120 60.258 13.680 -7.570 1.00 25.00 H new ATOM 0 HE21 GLN A 120 62.033 12.741 -8.378 1.00 25.00 H new ATOM 0 HE22 GLN A 120 62.797 11.298 -7.704 1.00 25.00 H new ATOM 658 N VAL A 121 63.244 14.969 -8.144 1.00 25.00 N ATOM 659 CA VAL A 121 63.452 15.442 -9.513 1.00 25.00 C ATOM 660 C VAL A 121 63.557 14.277 -10.497 1.00 25.00 C ATOM 661 O VAL A 121 63.707 13.117 -10.102 1.00 25.00 O ATOM 662 CB VAL A 121 64.756 16.300 -9.602 1.00 25.00 C ATOM 663 CG1 VAL A 121 64.640 17.546 -8.724 1.00 25.00 C ATOM 664 CG2 VAL A 121 65.979 15.487 -9.174 1.00 25.00 C ATOM 0 H VAL A 121 63.881 14.228 -7.854 1.00 25.00 H new ATOM 0 HA VAL A 121 62.588 16.051 -9.780 1.00 25.00 H new ATOM 0 HB VAL A 121 64.882 16.603 -10.642 1.00 25.00 H new ATOM 0 HG11 VAL A 121 65.557 18.131 -8.799 1.00 25.00 H new ATOM 0 HG12 VAL A 121 63.796 18.150 -9.059 1.00 25.00 H new ATOM 0 HG13 VAL A 121 64.484 17.247 -7.687 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.872 16.108 -9.246 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.851 15.152 -8.145 1.00 25.00 H new ATOM 0 HG23 VAL A 121 66.086 14.621 -9.827 1.00 25.00 H new ATOM 674 N ASP A 122 63.501 14.597 -11.780 1.00 25.00 N ATOM 675 CA ASP A 122 63.751 13.618 -12.836 1.00 25.00 C ATOM 676 C ASP A 122 65.242 13.658 -13.155 1.00 25.00 C ATOM 677 O ASP A 122 65.922 14.626 -12.822 1.00 25.00 O ATOM 678 CB ASP A 122 62.960 13.963 -14.100 1.00 25.00 C ATOM 679 CG ASP A 122 63.243 12.991 -15.230 1.00 25.00 C ATOM 680 OD1 ASP A 122 63.081 11.774 -15.017 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 63.821 13.420 -16.246 1.00 25.00 O1- ATOM 0 H ASP A 122 63.283 15.533 -12.121 1.00 25.00 H new ATOM 0 HA ASP A 122 63.440 12.629 -12.500 1.00 25.00 H new ATOM 0 HB2 ASP A 122 61.894 13.956 -13.874 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.211 14.974 -14.420 1.00 25.00 H new ATOM 686 N ALA A 123 65.747 12.634 -13.825 1.00 25.00 N ATOM 687 CA ALA A 123 67.149 12.593 -14.213 1.00 25.00 C ATOM 688 C ALA A 123 67.516 13.775 -15.126 1.00 25.00 C ATOM 689 O ALA A 123 68.579 14.383 -14.971 1.00 25.00 O ATOM 690 CB ALA A 123 67.449 11.264 -14.916 1.00 25.00 C ATOM 0 H ALA A 123 65.206 11.818 -14.112 1.00 25.00 H new ATOM 0 HA ALA A 123 67.756 12.674 -13.311 1.00 25.00 H new ATOM 0 HB1 ALA A 123 68.499 11.235 -15.206 1.00 25.00 H new ATOM 0 HB2 ALA A 123 67.237 10.438 -14.238 1.00 25.00 H new ATOM 0 HB3 ALA A 123 66.825 11.173 -15.805 1.00 25.00 H new ATOM 696 N ASP A 124 66.651 14.094 -16.079 1.00 25.00 N ATOM 697 CA ASP A 124 66.961 15.134 -17.062 1.00 25.00 C ATOM 698 C ASP A 124 66.425 16.507 -16.645 1.00 25.00 C ATOM 699 O ASP A 124 66.380 17.445 -17.438 1.00 25.00 O ATOM 700 CB ASP A 124 66.432 14.745 -18.447 1.00 25.00 C ATOM 701 CG ASP A 124 67.322 15.266 -19.578 1.00 25.00 C ATOM 702 OD1 ASP A 124 68.565 15.348 -19.382 1.00 25.00 O ATOM 703 OD2 ASP A 124 66.798 15.517 -20.684 1.00 25.00 O1- ATOM 0 H ASP A 124 65.737 13.656 -16.196 1.00 25.00 H new ATOM 0 HA ASP A 124 68.047 15.215 -17.110 1.00 25.00 H new ATOM 0 HB2 ASP A 124 66.361 13.659 -18.514 1.00 25.00 H new ATOM 0 HB3 ASP A 124 65.423 15.138 -18.571 1.00 25.00 H new ATOM 708 N PHE A 125 66.046 16.628 -15.381 1.00 25.00 N ATOM 709 CA PHE A 125 65.567 17.897 -14.838 1.00 25.00 C ATOM 710 C PHE A 125 66.698 18.919 -14.922 1.00 25.00 C ATOM 711 O PHE A 125 67.826 18.649 -14.511 1.00 25.00 O ATOM 712 CB PHE A 125 65.156 17.698 -13.385 1.00 25.00 C ATOM 713 CG PHE A 125 64.210 18.734 -12.852 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.874 18.775 -13.295 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.628 19.639 -11.858 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.961 19.712 -12.752 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.721 20.571 -11.302 1.00 25.00 C ATOM 718 CZ PHE A 125 62.386 20.607 -11.749 1.00 25.00 C ATOM 0 H PHE A 125 66.060 15.862 -14.708 1.00 25.00 H new ATOM 0 HA PHE A 125 64.707 18.252 -15.406 1.00 25.00 H new ATOM 0 HB2 PHE A 125 64.693 16.717 -13.284 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.053 17.692 -12.766 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.542 18.085 -14.057 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.652 19.621 -11.516 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.941 19.741 -13.106 1.00 25.00 H new ATOM 0 HE2 PHE A 125 64.052 21.255 -10.535 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.691 21.317 -11.325 1.00 25.00 H new ATOM 728 N GLU A 126 66.403 20.076 -15.488 1.00 25.00 N ATOM 729 CA GLU A 126 67.421 21.107 -15.703 1.00 25.00 C ATOM 730 C GLU A 126 67.847 21.762 -14.404 1.00 25.00 C ATOM 731 O GLU A 126 67.033 21.974 -13.506 1.00 25.00 O ATOM 732 CB GLU A 126 66.907 22.212 -16.630 1.00 25.00 C ATOM 733 CG GLU A 126 66.854 21.820 -18.094 1.00 25.00 C ATOM 734 CD GLU A 126 66.633 23.023 -19.010 1.00 25.00 C ATOM 735 OE1 GLU A 126 67.297 24.071 -18.808 1.00 25.00 O ATOM 736 OE2 GLU A 126 65.893 22.895 -20.004 1.00 25.00 O1- ATOM 0 H GLU A 126 65.469 20.332 -15.809 1.00 25.00 H new ATOM 0 HA GLU A 126 68.272 20.597 -16.155 1.00 25.00 H new ATOM 0 HB2 GLU A 126 65.908 22.506 -16.308 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.547 23.088 -16.523 1.00 25.00 H new ATOM 0 HG2 GLU A 126 67.785 21.323 -18.369 1.00 25.00 H new ATOM 0 HG3 GLU A 126 66.051 21.099 -18.246 1.00 25.00 H new ATOM 743 N LEU A 127 69.103 22.183 -14.350 1.00 25.00 N ATOM 744 CA LEU A 127 69.616 22.946 -13.215 1.00 25.00 C ATOM 745 C LEU A 127 68.860 24.281 -13.134 1.00 25.00 C ATOM 746 O LEU A 127 68.624 24.820 -12.051 1.00 25.00 O ATOM 747 CB LEU A 127 71.127 23.167 -13.397 1.00 25.00 C ATOM 748 CG LEU A 127 71.969 23.746 -12.241 1.00 25.00 C ATOM 749 CD1 LEU A 127 72.073 25.260 -12.350 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.451 23.362 -10.848 1.00 25.00 C ATOM 0 H LEU A 127 69.791 22.009 -15.083 1.00 25.00 H new ATOM 0 HA LEU A 127 69.462 22.403 -12.282 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.565 22.206 -13.666 1.00 25.00 H new ATOM 0 HB3 LEU A 127 71.257 23.828 -14.254 1.00 25.00 H new ATOM 0 HG LEU A 127 72.957 23.298 -12.346 1.00 25.00 H new ATOM 0 HD11 LEU A 127 72.671 25.644 -11.524 1.00 25.00 H new ATOM 0 HD12 LEU A 127 72.547 25.525 -13.295 1.00 25.00 H new ATOM 0 HD13 LEU A 127 71.075 25.697 -12.309 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.093 23.805 -10.086 1.00 25.00 H new ATOM 0 HD22 LEU A 127 70.433 23.731 -10.724 1.00 25.00 H new ATOM 0 HD23 LEU A 127 71.459 22.277 -10.743 1.00 25.00 H new ATOM 762 N HIS A 128 68.427 24.774 -14.285 1.00 25.00 N ATOM 763 CA HIS A 128 67.623 25.990 -14.357 1.00 25.00 C ATOM 764 C HIS A 128 66.330 25.836 -13.561 1.00 25.00 C ATOM 765 O HIS A 128 65.924 26.734 -12.833 1.00 25.00 O ATOM 766 CB HIS A 128 67.268 26.287 -15.819 1.00 25.00 C ATOM 767 CG HIS A 128 67.181 27.746 -16.137 1.00 25.00 C ATOM 768 ND1 HIS A 128 66.790 28.244 -17.352 1.00 25.00 N ATOM 769 CD2 HIS A 128 67.461 28.844 -15.379 1.00 25.00 C ATOM 770 CE1 HIS A 128 66.850 29.571 -17.297 1.00 25.00 C ATOM 771 NE2 HIS A 128 67.261 29.991 -16.119 1.00 25.00 N ATOM 0 H HIS A 128 68.620 24.347 -15.191 1.00 25.00 H new ATOM 0 HA HIS A 128 68.206 26.808 -13.934 1.00 25.00 H new ATOM 0 HB2 HIS A 128 68.017 25.828 -16.465 1.00 25.00 H new ATOM 0 HB3 HIS A 128 66.313 25.816 -16.054 1.00 25.00 H new ATOM 0 HD2 HIS A 128 67.791 28.820 -14.351 1.00 25.00 H new ATOM 0 HE1 HIS A 128 66.593 30.224 -18.118 1.00 25.00 H new ATOM 0 HE2 HIS A 128 67.401 30.956 -15.818 1.00 25.00 H new ATOM 779 N ASN A 129 65.699 24.681 -13.691 1.00 25.00 N ATOM 780 CA ASN A 129 64.451 24.416 -12.985 1.00 25.00 C ATOM 781 C ASN A 129 64.758 24.082 -11.532 1.00 25.00 C ATOM 782 O ASN A 129 63.997 24.410 -10.635 1.00 25.00 O ATOM 783 CB ASN A 129 63.697 23.249 -13.632 1.00 25.00 C ATOM 784 CG ASN A 129 63.260 23.545 -15.046 1.00 25.00 C ATOM 785 OD1 ASN A 129 63.285 24.676 -15.496 1.00 25.00 O ATOM 786 ND2 ASN A 129 62.868 22.523 -15.755 1.00 25.00 N ATOM 0 H ASN A 129 66.027 23.913 -14.276 1.00 25.00 H new ATOM 0 HA ASN A 129 63.822 25.305 -13.039 1.00 25.00 H new ATOM 0 HB2 ASN A 129 64.335 22.366 -13.632 1.00 25.00 H new ATOM 0 HB3 ASN A 129 62.821 23.010 -13.029 1.00 25.00 H new ATOM 0 HD21 ASN A 129 62.569 22.657 -16.721 1.00 25.00 H new ATOM 0 HD22 ASN A 129 62.861 21.590 -15.344 1.00 25.00 H new ATOM 793 N PHE A 130 65.886 23.427 -11.304 1.00 25.00 N ATOM 794 CA PHE A 130 66.286 23.020 -9.960 1.00 25.00 C ATOM 795 C PHE A 130 66.521 24.204 -9.035 1.00 25.00 C ATOM 796 O PHE A 130 66.122 24.168 -7.877 1.00 25.00 O ATOM 797 CB PHE A 130 67.551 22.174 -10.033 1.00 25.00 C ATOM 798 CG PHE A 130 67.922 21.530 -8.728 1.00 25.00 C ATOM 799 CD1 PHE A 130 67.155 20.467 -8.221 1.00 25.00 C ATOM 800 CD2 PHE A 130 69.044 21.970 -8.001 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.511 19.826 -7.011 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.409 21.341 -6.784 1.00 25.00 C ATOM 803 CZ PHE A 130 68.643 20.260 -6.295 1.00 25.00 C ATOM 0 H PHE A 130 66.546 23.163 -12.035 1.00 25.00 H new ATOM 0 HA PHE A 130 65.463 22.439 -9.543 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.415 21.397 -10.786 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.378 22.801 -10.367 1.00 25.00 H new ATOM 0 HD1 PHE A 130 66.282 20.135 -8.763 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.633 22.795 -8.374 1.00 25.00 H new ATOM 0 HE1 PHE A 130 66.916 19.006 -6.637 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.270 21.688 -6.232 1.00 25.00 H new ATOM 0 HZ PHE A 130 68.924 19.768 -5.376 1.00 25.00 H new ATOM 813 N ARG A 131 67.138 25.270 -9.535 1.00 25.00 N ATOM 814 CA ARG A 131 67.367 26.443 -8.686 1.00 25.00 C ATOM 815 C ARG A 131 66.042 27.102 -8.301 1.00 25.00 C ATOM 816 O ARG A 131 65.921 27.636 -7.213 1.00 25.00 O ATOM 817 CB ARG A 131 68.331 27.456 -9.329 1.00 25.00 C ATOM 818 CG ARG A 131 67.826 28.138 -10.600 1.00 25.00 C ATOM 819 CD ARG A 131 68.722 29.300 -11.023 1.00 25.00 C ATOM 820 NE ARG A 131 70.059 28.849 -11.449 1.00 25.00 N ATOM 821 CZ ARG A 131 71.183 28.974 -10.751 1.00 25.00 C ATOM 822 NH1 ARG A 131 71.230 29.542 -9.570 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 72.284 28.517 -11.272 1.00 25.00 N ATOM 0 H ARG A 131 67.481 25.351 -10.492 1.00 25.00 H new ATOM 0 HA ARG A 131 67.851 26.090 -7.776 1.00 25.00 H new ATOM 0 HB2 ARG A 131 68.563 28.226 -8.593 1.00 25.00 H new ATOM 0 HB3 ARG A 131 69.265 26.944 -9.560 1.00 25.00 H new ATOM 0 HG2 ARG A 131 67.775 27.407 -11.407 1.00 25.00 H new ATOM 0 HG3 ARG A 131 66.812 28.503 -10.437 1.00 25.00 H new ATOM 0 HD2 ARG A 131 68.247 29.844 -11.840 1.00 25.00 H new ATOM 0 HD3 ARG A 131 68.824 29.998 -10.192 1.00 25.00 H new ATOM 0 HE ARG A 131 70.128 28.400 -12.362 1.00 25.00 H new ATOM 0 HH11 ARG A 131 70.378 29.912 -9.148 1.00 25.00 H new ATOM 0 HH12 ARG A 131 72.118 29.614 -9.074 1.00 25.00 H new ATOM 0 HH21 ARG A 131 72.269 28.077 -12.192 1.00 25.00 H new ATOM 0 HH22 ARG A 131 73.163 28.598 -10.760 1.00 25.00 H new ATOM 837 N ALA A 132 65.041 27.019 -9.168 1.00 25.00 N ATOM 838 CA ALA A 132 63.719 27.552 -8.854 1.00 25.00 C ATOM 839 C ALA A 132 63.017 26.632 -7.846 1.00 25.00 C ATOM 840 O ALA A 132 62.327 27.085 -6.945 1.00 25.00 O ATOM 841 CB ALA A 132 62.886 27.684 -10.137 1.00 25.00 C ATOM 0 H ALA A 132 65.117 26.590 -10.090 1.00 25.00 H new ATOM 0 HA ALA A 132 63.825 28.542 -8.410 1.00 25.00 H new ATOM 0 HB1 ALA A 132 61.901 28.082 -9.892 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.389 28.359 -10.829 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.776 26.704 -10.602 1.00 25.00 H new ATOM 847 N LEU A 133 63.214 25.332 -8.006 1.00 25.00 N ATOM 848 CA LEU A 133 62.597 24.346 -7.122 1.00 25.00 C ATOM 849 C LEU A 133 63.126 24.484 -5.692 1.00 25.00 C ATOM 850 O LEU A 133 62.360 24.458 -4.737 1.00 25.00 O ATOM 851 CB LEU A 133 62.870 22.933 -7.661 1.00 25.00 C ATOM 852 CG LEU A 133 62.113 21.776 -6.988 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.607 21.882 -7.209 1.00 25.00 C ATOM 854 CD2 LEU A 133 62.614 20.451 -7.561 1.00 25.00 C ATOM 0 H LEU A 133 63.797 24.931 -8.741 1.00 25.00 H new ATOM 0 HA LEU A 133 61.522 24.522 -7.097 1.00 25.00 H new ATOM 0 HB2 LEU A 133 62.630 22.923 -8.724 1.00 25.00 H new ATOM 0 HB3 LEU A 133 63.939 22.736 -7.573 1.00 25.00 H new ATOM 0 HG LEU A 133 62.300 21.827 -5.915 1.00 25.00 H new ATOM 0 HD11 LEU A 133 60.108 21.047 -6.718 1.00 25.00 H new ATOM 0 HD12 LEU A 133 60.243 22.820 -6.789 1.00 25.00 H new ATOM 0 HD13 LEU A 133 60.393 21.856 -8.278 1.00 25.00 H new ATOM 0 HD21 LEU A 133 62.082 19.626 -7.088 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.436 20.429 -8.636 1.00 25.00 H new ATOM 0 HD23 LEU A 133 63.682 20.352 -7.368 1.00 25.00 H new ATOM 866 N CYS A 134 64.431 24.665 -5.538 1.00 25.00 N ATOM 867 CA CYS A 134 64.999 24.825 -4.203 1.00 25.00 C ATOM 868 C CYS A 134 64.696 26.211 -3.637 1.00 25.00 C ATOM 869 O CYS A 134 64.644 26.379 -2.433 1.00 25.00 O ATOM 870 CB CYS A 134 66.508 24.559 -4.202 1.00 25.00 C ATOM 871 SG CYS A 134 67.491 25.759 -5.122 1.00 25.00 S ATOM 0 H CYS A 134 65.105 24.704 -6.302 1.00 25.00 H new ATOM 0 HA CYS A 134 64.527 24.084 -3.558 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.858 24.539 -3.170 1.00 25.00 H new ATOM 0 HB3 CYS A 134 66.688 23.568 -4.619 1.00 25.00 H new ATOM 0 HG CYS A 134 66.711 26.462 -5.889 1.00 25.00 H new ATOM 877 N GLU A 135 64.478 27.193 -4.503 1.00 25.00 N ATOM 878 CA GLU A 135 64.089 28.537 -4.060 1.00 25.00 C ATOM 879 C GLU A 135 62.703 28.455 -3.427 1.00 25.00 C ATOM 880 O GLU A 135 62.468 28.997 -2.348 1.00 25.00 O ATOM 881 CB GLU A 135 64.094 29.500 -5.261 1.00 25.00 C ATOM 882 CG GLU A 135 63.312 30.799 -5.082 1.00 25.00 C ATOM 883 CD GLU A 135 63.480 31.733 -6.277 1.00 25.00 C ATOM 884 OE1 GLU A 135 64.629 32.171 -6.535 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 62.481 32.038 -6.953 1.00 25.00 O1- ATOM 0 H GLU A 135 64.562 27.090 -5.514 1.00 25.00 H new ATOM 0 HA GLU A 135 64.796 28.917 -3.323 1.00 25.00 H new ATOM 0 HB2 GLU A 135 65.128 29.751 -5.495 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.691 28.973 -6.126 1.00 25.00 H new ATOM 0 HG2 GLU A 135 62.255 30.571 -4.945 1.00 25.00 H new ATOM 0 HG3 GLU A 135 63.649 31.304 -4.176 1.00 25.00 H new ATOM 892 N LEU A 136 61.807 27.726 -4.081 1.00 25.00 N ATOM 893 CA LEU A 136 60.443 27.551 -3.591 1.00 25.00 C ATOM 894 C LEU A 136 60.410 26.822 -2.249 1.00 25.00 C ATOM 895 O LEU A 136 59.710 27.236 -1.333 1.00 25.00 O ATOM 896 CB LEU A 136 59.634 26.756 -4.626 1.00 25.00 C ATOM 897 CG LEU A 136 58.148 26.510 -4.314 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.352 27.818 -4.282 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.565 25.572 -5.373 1.00 25.00 C ATOM 0 H LEU A 136 62.001 27.243 -4.958 1.00 25.00 H new ATOM 0 HA LEU A 136 60.007 28.539 -3.443 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.697 27.280 -5.580 1.00 25.00 H new ATOM 0 HB3 LEU A 136 60.116 25.788 -4.761 1.00 25.00 H new ATOM 0 HG LEU A 136 58.074 26.057 -3.326 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.307 27.603 -4.059 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.760 28.473 -3.513 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.422 28.310 -5.252 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.511 25.392 -5.159 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.663 26.029 -6.358 1.00 25.00 H new ATOM 0 HD23 LEU A 136 58.105 24.625 -5.358 1.00 25.00 H new ATOM 911 N GLU A 137 61.155 25.732 -2.148 1.00 25.00 N ATOM 912 CA GLU A 137 61.152 24.910 -0.934 1.00 25.00 C ATOM 913 C GLU A 137 61.853 25.602 0.243 1.00 25.00 C ATOM 914 O GLU A 137 61.454 25.462 1.393 1.00 25.00 O ATOM 915 CB GLU A 137 61.848 23.580 -1.230 1.00 25.00 C ATOM 916 CG GLU A 137 61.431 22.432 -0.312 1.00 25.00 C ATOM 917 CD GLU A 137 60.063 21.863 -0.677 1.00 25.00 C ATOM 918 OE1 GLU A 137 59.906 21.374 -1.819 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 59.154 21.884 0.179 1.00 25.00 O1- ATOM 0 H GLU A 137 61.770 25.391 -2.887 1.00 25.00 H new ATOM 0 HA GLU A 137 60.114 24.748 -0.645 1.00 25.00 H new ATOM 0 HB2 GLU A 137 61.641 23.297 -2.262 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.926 23.722 -1.148 1.00 25.00 H new ATOM 0 HG2 GLU A 137 62.177 21.639 -0.364 1.00 25.00 H new ATOM 0 HG3 GLU A 137 61.412 22.784 0.719 1.00 25.00 H new ATOM 926 N SER A 138 62.918 26.338 -0.050 1.00 25.00 N ATOM 927 CA SER A 138 63.704 27.006 0.992 1.00 25.00 C ATOM 928 C SER A 138 63.083 28.343 1.404 1.00 25.00 C ATOM 929 O SER A 138 63.306 28.831 2.512 1.00 25.00 O ATOM 930 CB SER A 138 65.127 27.236 0.486 1.00 25.00 C ATOM 931 OG SER A 138 65.991 27.678 1.514 1.00 25.00 O ATOM 0 H SER A 138 63.261 26.490 -0.998 1.00 25.00 H new ATOM 0 HA SER A 138 63.716 26.360 1.870 1.00 25.00 H new ATOM 0 HB2 SER A 138 65.514 26.310 0.060 1.00 25.00 H new ATOM 0 HB3 SER A 138 65.111 27.974 -0.316 1.00 25.00 H new ATOM 0 HG SER A 138 66.520 26.922 1.844 1.00 25.00 H new ATOM 937 N GLY A 139 62.319 28.948 0.503 1.00 25.00 N ATOM 938 CA GLY A 139 61.668 30.215 0.799 1.00 25.00 C ATOM 939 C GLY A 139 62.592 31.409 0.652 1.00 25.00 C ATOM 940 O GLY A 139 62.271 32.509 1.107 1.00 25.00 O ATOM 0 H GLY A 139 62.137 28.584 -0.432 1.00 25.00 H new ATOM 0 HA2 GLY A 139 60.813 30.341 0.135 1.00 25.00 H new ATOM 0 HA3 GLY A 139 61.279 30.187 1.817 1.00 25.00 H new ATOM 944 N ILE A 140 63.748 31.204 0.032 1.00 25.00 N ATOM 945 CA ILE A 140 64.727 32.272 -0.166 1.00 25.00 C ATOM 946 C ILE A 140 65.149 32.340 -1.640 1.00 25.00 C ATOM 947 O ILE A 140 65.294 31.306 -2.294 1.00 25.00 O ATOM 948 CB ILE A 140 65.985 32.085 0.738 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.706 30.750 0.465 1.00 25.00 C ATOM 950 CG2 ILE A 140 65.602 32.159 2.226 1.00 25.00 C ATOM 951 CD1 ILE A 140 68.026 30.909 -0.273 1.00 25.00 C ATOM 0 H ILE A 140 64.034 30.301 -0.346 1.00 25.00 H new ATOM 0 HA ILE A 140 64.248 33.209 0.120 1.00 25.00 H new ATOM 0 HB ILE A 140 66.669 32.898 0.493 1.00 25.00 H new ATOM 0 HG12 ILE A 140 66.889 30.245 1.414 1.00 25.00 H new ATOM 0 HG13 ILE A 140 66.049 30.105 -0.118 1.00 25.00 H new ATOM 0 HG21 ILE A 140 66.494 32.026 2.838 1.00 25.00 H new ATOM 0 HG22 ILE A 140 65.157 33.131 2.439 1.00 25.00 H new ATOM 0 HG23 ILE A 140 64.883 31.372 2.456 1.00 25.00 H new ATOM 0 HD11 ILE A 140 68.476 29.929 -0.430 1.00 25.00 H new ATOM 0 HD12 ILE A 140 67.849 31.385 -1.237 1.00 25.00 H new ATOM 0 HD13 ILE A 140 68.701 31.527 0.318 1.00 25.00 H new ATOM 963 N PRO A 141 65.323 33.560 -2.190 1.00 25.00 N ATOM 964 CA PRO A 141 65.652 33.616 -3.620 1.00 25.00 C ATOM 965 C PRO A 141 66.992 32.995 -4.005 1.00 25.00 C ATOM 966 O PRO A 141 68.029 33.270 -3.386 1.00 25.00 O ATOM 967 CB PRO A 141 65.677 35.124 -3.914 1.00 25.00 C ATOM 968 CG PRO A 141 64.864 35.733 -2.835 1.00 25.00 C ATOM 969 CD PRO A 141 65.188 34.916 -1.628 1.00 25.00 C ATOM 0 HA PRO A 141 64.928 33.037 -4.193 1.00 25.00 H new ATOM 0 HB2 PRO A 141 66.696 35.511 -3.908 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.258 35.343 -4.896 1.00 25.00 H new ATOM 0 HG2 PRO A 141 65.120 36.782 -2.687 1.00 25.00 H new ATOM 0 HG3 PRO A 141 63.800 35.695 -3.068 1.00 25.00 H new ATOM 0 HD2 PRO A 141 66.107 35.250 -1.147 1.00 25.00 H new ATOM 0 HD3 PRO A 141 64.399 34.968 -0.878 1.00 25.00 H new ATOM 977 N ALA A 142 66.979 32.224 -5.083 1.00 25.00 N ATOM 978 CA ALA A 142 68.189 31.659 -5.666 1.00 25.00 C ATOM 979 C ALA A 142 69.084 32.789 -6.187 1.00 25.00 C ATOM 980 O ALA A 142 70.295 32.647 -6.277 1.00 25.00 O ATOM 981 CB ALA A 142 67.822 30.699 -6.803 1.00 25.00 C ATOM 0 H ALA A 142 66.125 31.971 -5.581 1.00 25.00 H new ATOM 0 HA ALA A 142 68.733 31.101 -4.903 1.00 25.00 H new ATOM 0 HB1 ALA A 142 68.732 30.281 -7.234 1.00 25.00 H new ATOM 0 HB2 ALA A 142 67.201 29.893 -6.412 1.00 25.00 H new ATOM 0 HB3 ALA A 142 67.272 31.240 -7.573 1.00 25.00 H new ATOM 987 N ALA A 143 68.462 33.905 -6.547 1.00 25.00 N ATOM 988 CA ALA A 143 69.178 35.065 -7.074 1.00 25.00 C ATOM 989 C ALA A 143 70.025 35.767 -5.999 1.00 25.00 C ATOM 990 O ALA A 143 71.045 36.370 -6.303 1.00 25.00 O ATOM 991 CB ALA A 143 68.168 36.056 -7.670 1.00 25.00 C ATOM 0 H ALA A 143 67.452 34.033 -6.483 1.00 25.00 H new ATOM 0 HA ALA A 143 69.863 34.711 -7.844 1.00 25.00 H new ATOM 0 HB1 ALA A 143 68.698 36.923 -8.064 1.00 25.00 H new ATOM 0 HB2 ALA A 143 67.615 35.572 -8.475 1.00 25.00 H new ATOM 0 HB3 ALA A 143 67.473 36.378 -6.894 1.00 25.00 H new ATOM 997 N GLU A 144 69.584 35.683 -4.752 1.00 25.00 N ATOM 998 CA GLU A 144 70.254 36.354 -3.628 1.00 25.00 C ATOM 999 C GLU A 144 71.201 35.385 -2.926 1.00 25.00 C ATOM 1000 O GLU A 144 71.620 35.599 -1.783 1.00 25.00 O ATOM 1001 CB GLU A 144 69.202 36.855 -2.627 1.00 25.00 C ATOM 1002 CG GLU A 144 68.402 38.056 -3.113 1.00 25.00 C ATOM 1003 CD GLU A 144 69.126 39.370 -2.840 1.00 25.00 C ATOM 1004 OE1 GLU A 144 70.181 39.620 -3.459 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 68.650 40.137 -1.975 1.00 25.00 O1- ATOM 0 H GLU A 144 68.756 35.152 -4.483 1.00 25.00 H new ATOM 0 HA GLU A 144 70.827 37.198 -4.011 1.00 25.00 H new ATOM 0 HB2 GLU A 144 68.513 36.040 -2.402 1.00 25.00 H new ATOM 0 HB3 GLU A 144 69.700 37.118 -1.694 1.00 25.00 H new ATOM 0 HG2 GLU A 144 68.216 37.959 -4.183 1.00 25.00 H new ATOM 0 HG3 GLU A 144 67.430 38.068 -2.620 1.00 25.00 H new ATOM 1012 N SER A 145 71.495 34.279 -3.587 1.00 25.00 N ATOM 1013 CA SER A 145 72.293 33.225 -2.990 1.00 25.00 C ATOM 1014 C SER A 145 73.145 32.536 -4.047 1.00 25.00 C ATOM 1015 O SER A 145 73.136 32.918 -5.213 1.00 25.00 O ATOM 1016 CB SER A 145 71.350 32.226 -2.319 1.00 25.00 C ATOM 1017 OG SER A 145 70.427 31.702 -3.248 1.00 25.00 O ATOM 0 H SER A 145 71.191 34.088 -4.542 1.00 25.00 H new ATOM 0 HA SER A 145 72.969 33.648 -2.247 1.00 25.00 H new ATOM 0 HB2 SER A 145 71.928 31.414 -1.878 1.00 25.00 H new ATOM 0 HB3 SER A 145 70.815 32.715 -1.505 1.00 25.00 H new ATOM 0 HG SER A 145 69.624 32.264 -3.264 1.00 25.00 H new ATOM 1023 N GLN A 146 73.911 31.542 -3.630 1.00 25.00 N ATOM 1024 CA GLN A 146 74.756 30.768 -4.534 1.00 25.00 C ATOM 1025 C GLN A 146 74.470 29.303 -4.280 1.00 25.00 C ATOM 1026 O GLN A 146 74.144 28.923 -3.161 1.00 25.00 O ATOM 1027 CB GLN A 146 76.233 31.079 -4.282 1.00 25.00 C ATOM 1028 CG GLN A 146 76.647 32.465 -4.766 1.00 25.00 C ATOM 1029 CD GLN A 146 76.613 32.572 -6.278 1.00 25.00 C ATOM 1030 OE1 GLN A 146 77.411 31.955 -6.965 1.00 25.00 O ATOM 1031 NE2 GLN A 146 75.685 33.329 -6.798 1.00 25.00 N ATOM 0 H GLN A 146 73.967 31.246 -2.656 1.00 25.00 H new ATOM 0 HA GLN A 146 74.541 31.023 -5.572 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.438 30.998 -3.214 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.846 30.329 -4.782 1.00 25.00 H new ATOM 0 HG2 GLN A 146 75.982 33.213 -4.335 1.00 25.00 H new ATOM 0 HG3 GLN A 146 77.652 32.688 -4.409 1.00 25.00 H new ATOM 0 HE21 GLN A 146 75.036 33.830 -6.191 1.00 25.00 H new ATOM 0 HE22 GLN A 146 75.609 33.420 -7.811 1.00 25.00 H new ATOM 1040 N ILE A 147 74.574 28.489 -5.318 1.00 25.00 N ATOM 1041 CA ILE A 147 74.258 27.066 -5.218 1.00 25.00 C ATOM 1042 C ILE A 147 75.477 26.259 -5.688 1.00 25.00 C ATOM 1043 O ILE A 147 76.088 26.562 -6.723 1.00 25.00 O ATOM 1044 CB ILE A 147 72.936 26.751 -6.000 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.444 25.339 -5.648 1.00 25.00 C ATOM 1046 CG2 ILE A 147 73.111 26.956 -7.534 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.057 24.990 -6.209 1.00 25.00 C ATOM 0 H ILE A 147 74.876 28.788 -6.245 1.00 25.00 H new ATOM 0 HA ILE A 147 74.061 26.774 -4.187 1.00 25.00 H new ATOM 0 HB ILE A 147 72.168 27.460 -5.689 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.166 24.613 -6.021 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.420 25.236 -4.563 1.00 25.00 H new ATOM 0 HG21 ILE A 147 72.173 26.728 -8.041 1.00 25.00 H new ATOM 0 HG22 ILE A 147 73.389 27.991 -7.733 1.00 25.00 H new ATOM 0 HG23 ILE A 147 73.894 26.293 -7.903 1.00 25.00 H new ATOM 0 HD11 ILE A 147 70.789 23.976 -5.912 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.319 25.690 -5.816 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.077 25.056 -7.297 1.00 25.00 H new ATOM 1059 N VAL A 148 75.900 25.322 -4.850 1.00 25.00 N ATOM 1060 CA VAL A 148 77.171 24.614 -5.012 1.00 25.00 C ATOM 1061 C VAL A 148 76.984 23.103 -4.860 1.00 25.00 C ATOM 1062 O VAL A 148 76.370 22.643 -3.909 1.00 25.00 O ATOM 1063 CB VAL A 148 78.180 25.112 -3.917 1.00 25.00 C ATOM 1064 CG1 VAL A 148 79.522 24.390 -4.011 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.412 26.629 -4.053 1.00 25.00 C ATOM 0 H VAL A 148 75.369 25.027 -4.031 1.00 25.00 H new ATOM 0 HA VAL A 148 77.554 24.820 -6.012 1.00 25.00 H new ATOM 0 HB VAL A 148 77.737 24.889 -2.946 1.00 25.00 H new ATOM 0 HG11 VAL A 148 80.191 24.764 -3.236 1.00 25.00 H new ATOM 0 HG12 VAL A 148 79.370 23.319 -3.874 1.00 25.00 H new ATOM 0 HG13 VAL A 148 79.965 24.571 -4.991 1.00 25.00 H new ATOM 0 HG21 VAL A 148 79.114 26.960 -3.287 1.00 25.00 H new ATOM 0 HG22 VAL A 148 78.822 26.847 -5.039 1.00 25.00 H new ATOM 0 HG23 VAL A 148 77.465 27.154 -3.929 1.00 25.00 H new ATOM 1075 N TYR A 149 77.556 22.335 -5.773 1.00 25.00 N ATOM 1076 CA TYR A 149 77.532 20.872 -5.697 1.00 25.00 C ATOM 1077 C TYR A 149 78.956 20.379 -5.882 1.00 25.00 C ATOM 1078 O TYR A 149 79.679 20.899 -6.728 1.00 25.00 O ATOM 1079 CB TYR A 149 76.641 20.288 -6.791 1.00 25.00 C ATOM 1080 CG TYR A 149 76.867 18.810 -7.016 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.514 17.861 -6.034 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.459 18.351 -8.211 1.00 25.00 C ATOM 1083 CE1 TYR A 149 76.753 16.476 -6.245 1.00 25.00 C ATOM 1084 CE2 TYR A 149 77.686 16.968 -8.426 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.331 16.045 -7.441 1.00 25.00 C ATOM 1086 OH TYR A 149 77.551 14.711 -7.651 1.00 25.00 O ATOM 0 H TYR A 149 78.050 22.700 -6.587 1.00 25.00 H new ATOM 0 HA TYR A 149 77.131 20.557 -4.734 1.00 25.00 H new ATOM 0 HB2 TYR A 149 75.596 20.453 -6.527 1.00 25.00 H new ATOM 0 HB3 TYR A 149 76.823 20.823 -7.723 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.057 18.190 -5.112 1.00 25.00 H new ATOM 0 HD2 TYR A 149 77.743 19.062 -8.972 1.00 25.00 H new ATOM 0 HE1 TYR A 149 76.488 15.759 -5.482 1.00 25.00 H new ATOM 0 HE2 TYR A 149 78.132 16.630 -9.349 1.00 25.00 H new ATOM 0 HH TYR A 149 76.770 14.200 -7.353 1.00 25.00 H new ATOM 1096 N ALA A 150 79.364 19.415 -5.061 1.00 25.00 N ATOM 1097 CA ALA A 150 80.721 18.860 -5.100 1.00 25.00 C ATOM 1098 C ALA A 150 81.777 19.981 -5.080 1.00 25.00 C ATOM 1099 O ALA A 150 82.725 19.965 -5.861 1.00 25.00 O ATOM 1100 CB ALA A 150 80.889 17.957 -6.343 1.00 25.00 C ATOM 0 H ALA A 150 78.767 18.994 -4.349 1.00 25.00 H new ATOM 0 HA ALA A 150 80.874 18.252 -4.209 1.00 25.00 H new ATOM 0 HB1 ALA A 150 81.900 17.550 -6.363 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.169 17.140 -6.299 1.00 25.00 H new ATOM 0 HB3 ALA A 150 80.716 18.544 -7.245 1.00 25.00 H new ATOM 1106 N GLU A 151 81.558 20.958 -4.203 1.00 25.00 N ATOM 1107 CA GLU A 151 82.436 22.134 -4.016 1.00 25.00 C ATOM 1108 C GLU A 151 82.570 23.070 -5.234 1.00 25.00 C ATOM 1109 O GLU A 151 83.368 24.003 -5.212 1.00 25.00 O ATOM 1110 CB GLU A 151 83.835 21.703 -3.541 1.00 25.00 C ATOM 1111 CG GLU A 151 83.817 20.845 -2.283 1.00 25.00 C ATOM 1112 CD GLU A 151 85.220 20.525 -1.799 1.00 25.00 C ATOM 1113 OE1 GLU A 151 85.980 19.884 -2.558 1.00 25.00 O ATOM 1114 OE2 GLU A 151 85.565 20.923 -0.668 1.00 25.00 O1- ATOM 0 H GLU A 151 80.748 20.964 -3.583 1.00 25.00 H new ATOM 0 HA GLU A 151 81.930 22.723 -3.251 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.326 21.149 -4.341 1.00 25.00 H new ATOM 0 HB3 GLU A 151 84.436 22.593 -3.354 1.00 25.00 H new ATOM 0 HG2 GLU A 151 83.271 21.365 -1.496 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.281 19.917 -2.483 1.00 25.00 H new ATOM 1121 N ARG A 152 81.775 22.859 -6.277 1.00 25.00 N ATOM 1122 CA ARG A 152 81.811 23.719 -7.470 1.00 25.00 C ATOM 1123 C ARG A 152 80.450 24.386 -7.681 1.00 25.00 C ATOM 1124 O ARG A 152 79.411 23.753 -7.491 1.00 25.00 O ATOM 1125 CB ARG A 152 82.171 22.877 -8.701 1.00 25.00 C ATOM 1126 CG ARG A 152 83.626 23.037 -9.190 1.00 25.00 C ATOM 1127 CD ARG A 152 84.674 22.622 -8.141 1.00 25.00 C ATOM 1128 NE ARG A 152 84.493 21.235 -7.681 1.00 25.00 N ATOM 1129 CZ ARG A 152 85.082 20.159 -8.186 1.00 25.00 C ATOM 1130 NH1 ARG A 152 85.917 20.214 -9.196 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 84.819 19.001 -7.655 1.00 25.00 N ATOM 0 H ARG A 152 81.095 22.101 -6.327 1.00 25.00 H new ATOM 0 HA ARG A 152 82.565 24.493 -7.327 1.00 25.00 H new ATOM 0 HB2 ARG A 152 81.993 21.827 -8.470 1.00 25.00 H new ATOM 0 HB3 ARG A 152 81.497 23.143 -9.516 1.00 25.00 H new ATOM 0 HG2 ARG A 152 83.767 22.438 -10.090 1.00 25.00 H new ATOM 0 HG3 ARG A 152 83.795 24.077 -9.470 1.00 25.00 H new ATOM 0 HD2 ARG A 152 85.672 22.733 -8.565 1.00 25.00 H new ATOM 0 HD3 ARG A 152 84.614 23.296 -7.286 1.00 25.00 H new ATOM 0 HE ARG A 152 83.854 21.088 -6.900 1.00 25.00 H new ATOM 0 HH11 ARG A 152 86.138 21.112 -9.627 1.00 25.00 H new ATOM 0 HH12 ARG A 152 86.346 19.359 -9.550 1.00 25.00 H new ATOM 0 HH21 ARG A 152 84.173 18.936 -6.869 1.00 25.00 H new ATOM 0 HH22 ARG A 152 85.259 18.158 -8.025 1.00 25.00 H new ATOM 1145 N PRO A 153 80.431 25.678 -8.057 1.00 25.00 N ATOM 1146 CA PRO A 153 79.109 26.272 -8.271 1.00 25.00 C ATOM 1147 C PRO A 153 78.446 25.734 -9.531 1.00 25.00 C ATOM 1148 O PRO A 153 79.115 25.371 -10.500 1.00 25.00 O ATOM 1149 CB PRO A 153 79.418 27.765 -8.399 1.00 25.00 C ATOM 1150 CG PRO A 153 80.777 27.799 -8.984 1.00 25.00 C ATOM 1151 CD PRO A 153 81.504 26.656 -8.318 1.00 25.00 C ATOM 0 HA PRO A 153 78.408 26.045 -7.468 1.00 25.00 H new ATOM 0 HB2 PRO A 153 78.695 28.269 -9.040 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.388 28.264 -7.430 1.00 25.00 H new ATOM 0 HG2 PRO A 153 80.746 27.673 -10.066 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.270 28.751 -8.788 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.278 26.241 -8.963 1.00 25.00 H new ATOM 0 HD3 PRO A 153 81.993 26.972 -7.397 1.00 25.00 H new ATOM 1159 N LEU A 154 77.128 25.672 -9.511 1.00 25.00 N ATOM 1160 CA LEU A 154 76.369 25.175 -10.659 1.00 25.00 C ATOM 1161 C LEU A 154 75.932 26.357 -11.522 1.00 0.00 C ATOM 1162 O LEU A 154 74.962 27.049 -11.206 1.00 25.00 O ATOM 1163 CB LEU A 154 75.149 24.378 -10.197 1.00 25.00 C ATOM 1164 CG LEU A 154 75.429 23.147 -9.320 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.693 23.293 -8.000 1.00 25.00 C ATOM 1166 CD2 LEU A 154 74.983 21.869 -10.017 1.00 25.00 C ATOM 0 H LEU A 154 76.555 25.958 -8.717 1.00 25.00 H new ATOM 0 HA LEU A 154 77.004 24.510 -11.245 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.492 25.049 -9.644 1.00 25.00 H new ATOM 0 HB3 LEU A 154 74.600 24.051 -11.080 1.00 25.00 H new ATOM 0 HG LEU A 154 76.502 23.083 -9.142 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.889 22.421 -7.376 1.00 25.00 H new ATOM 0 HD12 LEU A 154 75.038 24.191 -7.488 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.622 23.371 -8.187 1.00 25.00 H new ATOM 0 HD21 LEU A 154 75.192 21.013 -9.376 1.00 25.00 H new ATOM 0 HD22 LEU A 154 73.913 21.919 -10.218 1.00 25.00 H new ATOM 0 HD23 LEU A 154 75.524 21.759 -10.957 1.00 25.00 H new ATOM 1178 N THR A 155 76.685 26.621 -12.579 1.00 25.00 N ATOM 1179 CA THR A 155 76.440 27.783 -13.439 1.00 25.00 C ATOM 1180 C THR A 155 75.780 27.438 -14.772 1.00 25.00 C ATOM 1181 O THR A 155 75.207 28.302 -15.434 1.00 25.00 O ATOM 1182 CB THR A 155 77.778 28.479 -13.752 1.00 25.00 C ATOM 1183 OG1 THR A 155 78.707 27.512 -14.254 1.00 25.00 O ATOM 1184 CG2 THR A 155 78.384 29.082 -12.490 1.00 25.00 C ATOM 0 H THR A 155 77.477 26.046 -12.868 1.00 25.00 H new ATOM 0 HA THR A 155 75.756 28.425 -12.884 1.00 25.00 H new ATOM 0 HB THR A 155 77.587 29.265 -14.483 1.00 25.00 H new ATOM 0 HG1 THR A 155 79.559 27.951 -14.456 1.00 25.00 H new ATOM 0 HG21 THR A 155 79.328 29.568 -12.736 1.00 25.00 H new ATOM 0 HG22 THR A 155 77.696 29.817 -12.071 1.00 25.00 H new ATOM 0 HG23 THR A 155 78.562 28.293 -11.759 1.00 25.00 H new ATOM 1192 N ASP A 156 75.872 26.185 -15.185 1.00 25.00 N ATOM 1193 CA ASP A 156 75.352 25.765 -16.483 1.00 25.00 C ATOM 1194 C ASP A 156 73.882 25.400 -16.353 1.00 25.00 C ATOM 1195 O ASP A 156 73.525 24.235 -16.210 1.00 25.00 O ATOM 1196 CB ASP A 156 76.111 24.553 -17.025 1.00 25.00 C ATOM 1197 CG ASP A 156 77.604 24.777 -17.120 1.00 25.00 C ATOM 1198 OD1 ASP A 156 78.278 24.837 -16.066 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 78.128 24.712 -18.253 1.00 25.00 O1- ATOM 0 H ASP A 156 76.302 25.437 -14.642 1.00 25.00 H new ATOM 0 HA ASP A 156 75.480 26.597 -17.176 1.00 25.00 H new ATOM 0 HB2 ASP A 156 75.919 23.695 -16.381 1.00 25.00 H new ATOM 0 HB3 ASP A 156 75.724 24.303 -18.013 1.00 25.00 H new ATOM 1204 N ASN A 157 73.028 26.409 -16.381 1.00 25.00 N ATOM 1205 CA ASN A 157 71.594 26.213 -16.162 1.00 25.00 C ATOM 1206 C ASN A 157 70.952 25.157 -17.063 1.00 25.00 C ATOM 1207 O ASN A 157 70.084 24.420 -16.619 1.00 25.00 O ATOM 1208 CB ASN A 157 70.863 27.545 -16.357 1.00 25.00 C ATOM 1209 CG ASN A 157 71.006 28.466 -15.173 1.00 25.00 C ATOM 1210 OD1 ASN A 157 71.035 28.032 -14.032 1.00 25.00 O ATOM 1211 ND2 ASN A 157 71.083 29.741 -15.434 1.00 25.00 N ATOM 0 H ASN A 157 73.298 27.377 -16.553 1.00 25.00 H new ATOM 0 HA ASN A 157 71.497 25.844 -15.141 1.00 25.00 H new ATOM 0 HB2 ASN A 157 71.251 28.041 -17.247 1.00 25.00 H new ATOM 0 HB3 ASN A 157 69.805 27.351 -16.536 1.00 25.00 H new ATOM 0 HD21 ASN A 157 71.171 30.413 -14.672 1.00 25.00 H new ATOM 0 HD22 ASN A 157 71.055 30.066 -16.400 1.00 25.00 H new ATOM 1218 N HIS A 158 71.359 25.083 -18.323 1.00 25.00 N ATOM 1219 CA HIS A 158 70.725 24.143 -19.253 1.00 25.00 C ATOM 1220 C HIS A 158 71.258 22.706 -19.157 1.00 25.00 C ATOM 1221 O HIS A 158 70.782 21.826 -19.861 1.00 25.00 O ATOM 1222 CB HIS A 158 70.821 24.654 -20.698 1.00 25.00 C ATOM 1223 CG HIS A 158 69.856 23.984 -21.632 1.00 25.00 C ATOM 1224 ND1 HIS A 158 68.501 23.805 -21.339 1.00 25.00 N ATOM 1225 CD2 HIS A 158 70.020 23.405 -22.853 1.00 25.00 C ATOM 1226 CE1 HIS A 158 67.928 23.150 -22.336 1.00 25.00 C ATOM 1227 NE2 HIS A 158 68.819 22.906 -23.259 1.00 25.00 N ATOM 0 H HIS A 158 72.108 25.647 -18.724 1.00 25.00 H new ATOM 0 HA HIS A 158 69.679 24.096 -18.950 1.00 25.00 H new ATOM 0 HB2 HIS A 158 70.639 25.729 -20.708 1.00 25.00 H new ATOM 0 HB3 HIS A 158 71.836 24.499 -21.064 1.00 25.00 H new ATOM 0 HD1 HIS A 158 68.030 24.127 -20.494 1.00 25.00 H new ATOM 0 HD2 HIS A 158 70.946 23.350 -23.406 1.00 25.00 H new ATOM 0 HE1 HIS A 158 66.888 22.863 -22.379 1.00 25.00 H new ATOM 1235 N ARG A 159 72.220 22.445 -18.283 1.00 25.00 N ATOM 1236 CA ARG A 159 72.628 21.057 -18.059 1.00 25.00 C ATOM 1237 C ARG A 159 71.563 20.452 -17.180 1.00 25.00 C ATOM 1238 O ARG A 159 71.041 21.119 -16.285 1.00 25.00 O ATOM 1239 CB ARG A 159 73.965 20.943 -17.330 1.00 25.00 C ATOM 1240 CG ARG A 159 75.181 21.213 -18.181 1.00 25.00 C ATOM 1241 CD ARG A 159 76.439 20.838 -17.401 1.00 25.00 C ATOM 1242 NE ARG A 159 77.601 21.651 -17.791 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.830 21.510 -17.311 1.00 25.00 C ATOM 1244 NH1 ARG A 159 79.145 20.569 -16.454 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 79.756 22.342 -17.692 1.00 25.00 N ATOM 0 H ARG A 159 72.720 23.144 -17.733 1.00 25.00 H new ATOM 0 HA ARG A 159 72.744 20.557 -19.020 1.00 25.00 H new ATOM 0 HB2 ARG A 159 73.965 21.640 -16.492 1.00 25.00 H new ATOM 0 HB3 ARG A 159 74.049 19.940 -16.911 1.00 25.00 H new ATOM 0 HG2 ARG A 159 75.127 20.637 -19.105 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.215 22.265 -18.463 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.253 20.962 -16.334 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.664 19.784 -17.564 1.00 25.00 H new ATOM 0 HE ARG A 159 77.450 22.382 -18.486 1.00 25.00 H new ATOM 0 HH11 ARG A 159 78.433 19.912 -16.133 1.00 25.00 H new ATOM 0 HH12 ARG A 159 80.102 20.494 -16.108 1.00 25.00 H new ATOM 0 HH21 ARG A 159 79.532 23.088 -18.350 1.00 25.00 H new ATOM 0 HH22 ARG A 159 80.706 22.248 -17.332 1.00 25.00 H new ATOM 1259 N SER A 160 71.281 19.183 -17.389 1.00 25.00 N ATOM 1260 CA SER A 160 70.407 18.471 -16.487 1.00 25.00 C ATOM 1261 C SER A 160 71.228 18.082 -15.274 1.00 25.00 C ATOM 1262 O SER A 160 72.459 18.109 -15.308 1.00 25.00 O ATOM 1263 CB SER A 160 69.827 17.240 -17.160 1.00 25.00 C ATOM 1264 OG SER A 160 70.838 16.382 -17.664 1.00 25.00 O ATOM 0 H SER A 160 71.641 18.630 -18.167 1.00 25.00 H new ATOM 0 HA SER A 160 69.568 19.101 -16.193 1.00 25.00 H new ATOM 0 HB2 SER A 160 69.211 16.693 -16.446 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.173 17.548 -17.976 1.00 25.00 H new ATOM 0 HG SER A 160 70.453 15.783 -18.338 1.00 25.00 H new ATOM 1270 N LEU A 161 70.561 17.721 -14.196 1.00 25.00 N ATOM 1271 CA LEU A 161 71.251 17.342 -12.971 1.00 25.00 C ATOM 1272 C LEU A 161 72.060 16.059 -13.197 1.00 25.00 C ATOM 1273 O LEU A 161 73.176 15.914 -12.690 1.00 25.00 O ATOM 1274 CB LEU A 161 70.219 17.168 -11.857 1.00 25.00 C ATOM 1275 CG LEU A 161 69.510 18.476 -11.464 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.266 18.163 -10.670 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.434 19.391 -10.652 1.00 25.00 C ATOM 0 H LEU A 161 69.543 17.681 -14.139 1.00 25.00 H new ATOM 0 HA LEU A 161 71.953 18.122 -12.677 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.472 16.441 -12.176 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.712 16.754 -10.978 1.00 25.00 H new ATOM 0 HG LEU A 161 69.237 19.002 -12.379 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.767 19.092 -10.394 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.592 17.555 -11.274 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.538 17.615 -9.768 1.00 25.00 H new ATOM 0 HD21 LEU A 161 69.902 20.306 -10.391 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.744 18.879 -9.741 1.00 25.00 H new ATOM 0 HD23 LEU A 161 71.313 19.640 -11.246 1.00 25.00 H new ATOM 1289 N ALA A 162 71.551 15.172 -14.042 1.00 25.00 N ATOM 1290 CA ALA A 162 72.277 13.951 -14.396 1.00 25.00 C ATOM 1291 C ALA A 162 73.572 14.286 -15.147 1.00 25.00 C ATOM 1292 O ALA A 162 74.569 13.588 -15.015 1.00 25.00 O ATOM 1293 CB ALA A 162 71.399 13.034 -15.244 1.00 25.00 C ATOM 0 H ALA A 162 70.643 15.271 -14.495 1.00 25.00 H new ATOM 0 HA ALA A 162 72.538 13.432 -13.474 1.00 25.00 H new ATOM 0 HB1 ALA A 162 71.955 12.131 -15.498 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.505 12.764 -14.682 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.109 13.551 -16.159 1.00 25.00 H new ATOM 1299 N SER A 163 73.571 15.390 -15.884 1.00 25.00 N ATOM 1300 CA SER A 163 74.771 15.843 -16.598 1.00 25.00 C ATOM 1301 C SER A 163 75.829 16.366 -15.625 1.00 25.00 C ATOM 1302 O SER A 163 76.999 16.496 -15.980 1.00 25.00 O ATOM 1303 CB SER A 163 74.429 16.944 -17.603 1.00 25.00 C ATOM 1304 OG SER A 163 73.480 16.498 -18.556 1.00 25.00 O ATOM 0 H SER A 163 72.756 15.991 -16.006 1.00 25.00 H new ATOM 0 HA SER A 163 75.171 14.980 -17.131 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.035 17.812 -17.074 1.00 25.00 H new ATOM 0 HB3 SER A 163 75.336 17.267 -18.114 1.00 25.00 H new ATOM 0 HG SER A 163 72.588 16.490 -18.150 1.00 25.00 H new ATOM 1310 N TYR A 164 75.422 16.654 -14.395 1.00 25.00 N ATOM 1311 CA TYR A 164 76.357 17.072 -13.352 1.00 25.00 C ATOM 1312 C TYR A 164 76.730 15.869 -12.485 1.00 25.00 C ATOM 1313 O TYR A 164 77.585 15.966 -11.610 1.00 25.00 O ATOM 1314 CB TYR A 164 75.716 18.135 -12.466 1.00 25.00 C ATOM 1315 CG TYR A 164 75.916 19.551 -12.929 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.172 20.174 -12.788 1.00 25.00 C ATOM 1317 CD2 TYR A 164 74.847 20.296 -13.470 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.364 21.523 -13.164 1.00 25.00 C ATOM 1319 CE2 TYR A 164 75.034 21.664 -13.842 1.00 25.00 C ATOM 1320 CZ TYR A 164 76.297 22.258 -13.676 1.00 25.00 C ATOM 1321 OH TYR A 164 76.520 23.568 -13.996 1.00 25.00 O ATOM 0 H TYR A 164 74.449 16.606 -14.093 1.00 25.00 H new ATOM 0 HA TYR A 164 77.248 17.482 -13.827 1.00 25.00 H new ATOM 0 HB2 TYR A 164 74.646 17.937 -12.402 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.119 18.038 -11.458 1.00 25.00 H new ATOM 0 HD1 TYR A 164 78.002 19.611 -12.386 1.00 25.00 H new ATOM 0 HD2 TYR A 164 73.882 19.830 -13.604 1.00 25.00 H new ATOM 0 HE1 TYR A 164 78.335 21.983 -13.055 1.00 25.00 H new ATOM 0 HE2 TYR A 164 74.212 22.236 -14.247 1.00 25.00 H new ATOM 0 HH TYR A 164 77.223 23.623 -14.677 1.00 25.00 H new ATOM 1331 N GLY A 165 76.082 14.739 -12.730 1.00 25.00 N ATOM 1332 CA GLY A 165 76.338 13.538 -11.955 1.00 25.00 C ATOM 1333 C GLY A 165 75.544 13.461 -10.664 1.00 25.00 C ATOM 1334 O GLY A 165 75.929 12.717 -9.757 1.00 25.00 O ATOM 0 H GLY A 165 75.377 14.631 -13.459 1.00 25.00 H new ATOM 0 HA2 GLY A 165 76.105 12.666 -12.566 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.401 13.488 -11.720 1.00 25.00 H new ATOM 1338 N LEU A 166 74.444 14.203 -10.569 1.00 25.00 N ATOM 1339 CA LEU A 166 73.606 14.159 -9.369 1.00 25.00 C ATOM 1340 C LEU A 166 72.850 12.836 -9.301 1.00 25.00 C ATOM 1341 O LEU A 166 71.711 12.723 -9.733 1.00 25.00 O ATOM 1342 CB LEU A 166 72.597 15.315 -9.331 1.00 25.00 C ATOM 1343 CG LEU A 166 72.989 16.663 -8.705 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.359 16.505 -7.242 1.00 25.00 C ATOM 1345 CD2 LEU A 166 74.109 17.345 -9.442 1.00 25.00 C ATOM 0 H LEU A 166 74.113 14.835 -11.298 1.00 25.00 H new ATOM 0 HA LEU A 166 74.271 14.255 -8.510 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.293 15.512 -10.359 1.00 25.00 H new ATOM 0 HB3 LEU A 166 71.715 14.957 -8.801 1.00 25.00 H new ATOM 0 HG LEU A 166 72.107 17.298 -8.786 1.00 25.00 H new ATOM 0 HD11 LEU A 166 73.631 17.476 -6.829 1.00 25.00 H new ATOM 0 HD12 LEU A 166 72.508 16.103 -6.693 1.00 25.00 H new ATOM 0 HD13 LEU A 166 74.204 15.823 -7.152 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.342 18.292 -8.954 1.00 25.00 H new ATOM 0 HD22 LEU A 166 74.992 16.706 -9.434 1.00 25.00 H new ATOM 0 HD23 LEU A 166 73.806 17.533 -10.472 1.00 25.00 H new ATOM 1357 N LYS A 167 73.520 11.842 -8.757 1.00 25.00 N ATOM 1358 CA LYS A 167 72.924 10.534 -8.486 1.00 25.00 C ATOM 1359 C LYS A 167 71.961 10.683 -7.320 1.00 25.00 C ATOM 1360 O LYS A 167 72.108 11.588 -6.500 1.00 25.00 O ATOM 1361 CB LYS A 167 74.008 9.535 -8.089 1.00 25.00 C ATOM 1362 CG LYS A 167 75.048 9.279 -9.177 1.00 25.00 C ATOM 1363 CD LYS A 167 76.325 8.660 -8.608 1.00 25.00 C ATOM 1364 CE LYS A 167 77.372 9.728 -8.226 1.00 25.00 C ATOM 1365 NZ LYS A 167 77.033 10.505 -6.983 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.501 11.911 -8.486 1.00 25.00 H new ATOM 0 HA LYS A 167 72.411 10.176 -9.379 1.00 25.00 H new ATOM 0 HB2 LYS A 167 74.515 9.901 -7.196 1.00 25.00 H new ATOM 0 HB3 LYS A 167 73.536 8.589 -7.823 1.00 25.00 H new ATOM 0 HG2 LYS A 167 74.628 8.615 -9.932 1.00 25.00 H new ATOM 0 HG3 LYS A 167 75.290 10.217 -9.676 1.00 25.00 H new ATOM 0 HD2 LYS A 167 76.078 8.066 -7.728 1.00 25.00 H new ATOM 0 HD3 LYS A 167 76.755 7.979 -9.342 1.00 25.00 H new ATOM 0 HE2 LYS A 167 78.337 9.241 -8.085 1.00 25.00 H new ATOM 0 HE3 LYS A 167 77.485 10.424 -9.057 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 77.905 10.887 -6.564 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 76.394 11.289 -7.227 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 76.565 9.877 -6.298 1.00 25.00 H new ATOM 1379 N ASP A 168 71.018 9.765 -7.207 1.00 25.00 N ATOM 1380 CA ASP A 168 70.107 9.758 -6.073 1.00 25.00 C ATOM 1381 C ASP A 168 70.925 9.659 -4.786 1.00 25.00 C ATOM 1382 O ASP A 168 71.872 8.882 -4.686 1.00 25.00 O ATOM 1383 CB ASP A 168 69.107 8.593 -6.174 1.00 25.00 C ATOM 1384 CG ASP A 168 69.787 7.237 -6.371 1.00 25.00 C ATOM 1385 OD1 ASP A 168 70.432 7.036 -7.435 1.00 25.00 O ATOM 1386 OD2 ASP A 168 69.592 6.346 -5.520 1.00 25.00 O1- ATOM 0 H ASP A 168 70.862 9.017 -7.883 1.00 25.00 H new ATOM 0 HA ASP A 168 69.529 10.682 -6.070 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.502 8.561 -5.268 1.00 25.00 H new ATOM 0 HB3 ASP A 168 68.427 8.776 -7.006 1.00 25.00 H new ATOM 1391 N GLY A 169 70.590 10.514 -3.831 1.00 25.00 N ATOM 1392 CA GLY A 169 71.306 10.562 -2.567 1.00 25.00 C ATOM 1393 C GLY A 169 72.371 11.641 -2.504 1.00 25.00 C ATOM 1394 O GLY A 169 72.854 11.959 -1.417 1.00 25.00 O ATOM 0 H GLY A 169 69.825 11.185 -3.909 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.590 10.724 -1.761 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.773 9.593 -2.388 1.00 25.00 H new ATOM 1398 N ASP A 170 72.734 12.231 -3.638 1.00 25.00 N ATOM 1399 CA ASP A 170 73.718 13.319 -3.628 1.00 25.00 C ATOM 1400 C ASP A 170 73.136 14.553 -2.946 1.00 25.00 C ATOM 1401 O ASP A 170 71.913 14.731 -2.871 1.00 25.00 O ATOM 1402 CB ASP A 170 74.147 13.700 -5.044 1.00 25.00 C ATOM 1403 CG ASP A 170 75.253 12.810 -5.585 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.060 12.271 -4.797 1.00 25.00 O ATOM 1405 OD2 ASP A 170 75.366 12.703 -6.819 1.00 25.00 O1- ATOM 0 H ASP A 170 72.373 11.985 -4.560 1.00 25.00 H new ATOM 0 HA ASP A 170 74.589 12.961 -3.079 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.284 13.643 -5.708 1.00 25.00 H new ATOM 0 HB3 ASP A 170 74.486 14.736 -5.050 1.00 25.00 H new ATOM 1410 N VAL A 171 74.020 15.413 -2.455 1.00 25.00 N ATOM 1411 CA VAL A 171 73.614 16.607 -1.721 1.00 25.00 C ATOM 1412 C VAL A 171 74.208 17.882 -2.329 1.00 25.00 C ATOM 1413 O VAL A 171 75.382 17.939 -2.713 1.00 25.00 O ATOM 1414 CB VAL A 171 73.964 16.462 -0.197 1.00 25.00 C ATOM 1415 CG1 VAL A 171 75.416 16.040 -0.005 1.00 25.00 C ATOM 1416 CG2 VAL A 171 73.662 17.757 0.589 1.00 25.00 C ATOM 0 H VAL A 171 75.030 15.305 -2.552 1.00 25.00 H new ATOM 0 HA VAL A 171 72.532 16.703 -1.807 1.00 25.00 H new ATOM 0 HB VAL A 171 73.323 15.678 0.206 1.00 25.00 H new ATOM 0 HG11 VAL A 171 75.630 15.947 1.060 1.00 25.00 H new ATOM 0 HG12 VAL A 171 75.584 15.080 -0.494 1.00 25.00 H new ATOM 0 HG13 VAL A 171 76.074 16.790 -0.444 1.00 25.00 H new ATOM 0 HG21 VAL A 171 73.918 17.614 1.639 1.00 25.00 H new ATOM 0 HG22 VAL A 171 74.252 18.577 0.180 1.00 25.00 H new ATOM 0 HG23 VAL A 171 72.602 17.996 0.504 1.00 25.00 H new ATOM 1426 N VAL A 172 73.364 18.899 -2.427 1.00 25.00 N ATOM 1427 CA VAL A 172 73.721 20.205 -2.969 1.00 25.00 C ATOM 1428 C VAL A 172 73.686 21.200 -1.811 1.00 25.00 C ATOM 1429 O VAL A 172 72.808 21.127 -0.955 1.00 25.00 O ATOM 1430 CB VAL A 172 72.698 20.632 -4.065 1.00 25.00 C ATOM 1431 CG1 VAL A 172 73.089 21.967 -4.691 1.00 25.00 C ATOM 1432 CG2 VAL A 172 72.610 19.562 -5.160 1.00 25.00 C ATOM 0 H VAL A 172 72.391 18.839 -2.126 1.00 25.00 H new ATOM 0 HA VAL A 172 74.710 20.173 -3.426 1.00 25.00 H new ATOM 0 HB VAL A 172 71.725 20.742 -3.586 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.358 22.240 -5.452 1.00 25.00 H new ATOM 0 HG12 VAL A 172 73.115 22.737 -3.920 1.00 25.00 H new ATOM 0 HG13 VAL A 172 74.074 21.879 -5.149 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.892 19.875 -5.918 1.00 25.00 H new ATOM 0 HG22 VAL A 172 73.589 19.431 -5.620 1.00 25.00 H new ATOM 0 HG23 VAL A 172 72.286 18.618 -4.721 1.00 25.00 H new ATOM 1442 N ILE A 173 74.641 22.116 -1.766 1.00 25.00 N ATOM 1443 CA ILE A 173 74.707 23.111 -0.701 1.00 25.00 C ATOM 1444 C ILE A 173 74.317 24.471 -1.277 1.00 25.00 C ATOM 1445 O ILE A 173 74.930 24.967 -2.221 1.00 25.00 O ATOM 1446 CB ILE A 173 76.130 23.187 -0.069 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.574 21.785 0.409 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.133 24.184 1.127 1.00 25.00 C ATOM 1449 CD1 ILE A 173 78.041 21.701 0.872 1.00 25.00 C ATOM 0 H ILE A 173 75.386 22.193 -2.458 1.00 25.00 H new ATOM 0 HA ILE A 173 74.016 22.821 0.091 1.00 25.00 H new ATOM 0 HB ILE A 173 76.831 23.541 -0.824 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.929 21.474 1.231 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.421 21.073 -0.403 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.132 24.229 1.561 1.00 25.00 H new ATOM 0 HG22 ILE A 173 75.845 25.175 0.775 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.424 23.847 1.883 1.00 25.00 H new ATOM 0 HD11 ILE A 173 78.265 20.683 1.189 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.699 21.977 0.048 1.00 25.00 H new ATOM 0 HD13 ILE A 173 78.199 22.384 1.707 1.00 25.00 H new ATOM 1461 N LEU A 174 73.285 25.063 -0.707 1.00 25.00 N ATOM 1462 CA LEU A 174 72.787 26.370 -1.118 1.00 25.00 C ATOM 1463 C LEU A 174 73.265 27.341 -0.039 1.00 25.00 C ATOM 1464 O LEU A 174 73.143 27.043 1.136 1.00 25.00 O ATOM 1465 CB LEU A 174 71.254 26.313 -1.170 1.00 25.00 C ATOM 1466 CG LEU A 174 70.504 27.259 -2.118 1.00 25.00 C ATOM 1467 CD1 LEU A 174 69.010 26.955 -2.025 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.746 28.715 -1.784 1.00 25.00 C ATOM 0 H LEU A 174 72.760 24.649 0.063 1.00 25.00 H new ATOM 0 HA LEU A 174 73.142 26.678 -2.102 1.00 25.00 H new ATOM 0 HB2 LEU A 174 70.972 25.293 -1.432 1.00 25.00 H new ATOM 0 HB3 LEU A 174 70.884 26.497 -0.161 1.00 25.00 H new ATOM 0 HG LEU A 174 70.875 27.094 -3.130 1.00 25.00 H new ATOM 0 HD11 LEU A 174 68.461 27.619 -2.693 1.00 25.00 H new ATOM 0 HD12 LEU A 174 68.831 25.920 -2.315 1.00 25.00 H new ATOM 0 HD13 LEU A 174 68.670 27.109 -1.001 1.00 25.00 H new ATOM 0 HD21 LEU A 174 70.195 29.345 -2.482 1.00 25.00 H new ATOM 0 HD22 LEU A 174 70.407 28.916 -0.768 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.811 28.934 -1.861 1.00 25.00 H new ATOM 1480 N ARG A 175 73.855 28.469 -0.413 1.00 25.00 N ATOM 1481 CA ARG A 175 74.378 29.424 0.576 1.00 25.00 C ATOM 1482 C ARG A 175 73.905 30.846 0.323 1.00 25.00 C ATOM 1483 O ARG A 175 74.180 31.429 -0.722 1.00 25.00 O ATOM 1484 CB ARG A 175 75.907 29.401 0.584 1.00 25.00 C ATOM 1485 CG ARG A 175 76.498 28.020 0.872 1.00 25.00 C ATOM 1486 CD ARG A 175 77.981 28.087 1.225 1.00 25.00 C ATOM 1487 NE ARG A 175 78.198 28.676 2.563 1.00 25.00 N ATOM 1488 CZ ARG A 175 78.662 29.899 2.809 1.00 25.00 C ATOM 1489 NH1 ARG A 175 79.005 30.731 1.855 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 78.786 30.290 4.046 1.00 25.00 N ATOM 0 H ARG A 175 73.986 28.751 -1.385 1.00 25.00 H new ATOM 0 HA ARG A 175 73.991 29.109 1.545 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.272 29.749 -0.382 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.269 30.105 1.333 1.00 25.00 H new ATOM 0 HG2 ARG A 175 75.952 27.558 1.694 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.363 27.380 -0.000 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.408 27.085 1.195 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.507 28.680 0.477 1.00 25.00 H new ATOM 0 HE ARG A 175 77.972 28.094 3.369 1.00 25.00 H new ATOM 0 HH11 ARG A 175 78.921 30.450 0.878 1.00 25.00 H new ATOM 0 HH12 ARG A 175 79.356 31.659 2.090 1.00 25.00 H new ATOM 0 HH21 ARG A 175 78.529 29.662 4.808 1.00 25.00 H new ATOM 0 HH22 ARG A 175 79.140 31.224 4.253 1.00 25.00 H new ATOM 1504 N GLN A 176 73.230 31.424 1.316 1.00 25.00 N ATOM 1505 CA GLN A 176 72.749 32.815 1.287 1.00 25.00 C ATOM 1506 C GLN A 176 73.459 33.673 2.348 1.00 25.00 C ATOM 1507 O GLN A 176 73.607 33.352 3.515 1.00 25.00 O ATOM 1508 CB GLN A 176 71.218 32.861 1.462 1.00 25.00 C ATOM 1509 CG GLN A 176 70.678 34.298 1.337 1.00 25.00 C ATOM 1510 CD GLN A 176 69.184 34.334 1.490 1.00 25.00 C ATOM 1511 OE1 GLN A 176 68.608 33.954 2.477 1.00 25.00 O ATOM 1512 NE2 GLN A 176 68.513 34.838 0.468 1.00 25.00 N ATOM 1513 OXT GLN A 176 73.894 34.704 1.916 1.00 25.00 O ATOM 0 H GLN A 176 72.995 30.935 2.180 1.00 25.00 H new ATOM 0 HA GLN A 176 72.992 33.238 0.312 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.746 32.227 0.711 1.00 25.00 H new ATOM 0 HB3 GLN A 176 70.950 32.454 2.437 1.00 25.00 H new ATOM 0 HG2 GLN A 176 71.139 34.930 2.096 1.00 25.00 H new ATOM 0 HG3 GLN A 176 70.957 34.711 0.367 1.00 25.00 H new ATOM 0 HE21 GLN A 176 69.012 35.157 -0.363 1.00 25.00 H new ATOM 0 HE22 GLN A 176 67.496 34.908 0.510 1.00 25.00 H new TER 1523 GLN A 176