USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=19 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 -170:sc= 0.807 USER MOD Set 1.2: A 163 SER OG : rot 78:sc= 0.821 USER MOD Set 2.1: A 107 CYS SG : rot -150:sc= -0.0752 USER MOD Set 2.2: A 138 SER OG : rot 83:sc= 1.05 USER MOD Set 3.1: A 88 HIS : no HD1:sc= 0 X(o=-0.14,f=-0.016) USER MOD Set 3.2: A 90 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0562 X(o=-0.056,f=-0.26) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.0666 X(o=-0.067,f=-0.38) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.0787 X(o=-0.079,f=-0.084) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HE2:sc= 0.823 K(o=0.82,f=-2.6!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.0463 X(o=-0.046,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-4.8!) USER MOD Single : A 101 MET CE :methyl 172:sc= -0.834 (180deg=-0.968) 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 -130:sc=-0.00741 USER MOD Single : A 116 THR OG1 : rot 29:sc= 0.808 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 128 HIS : no HD1:sc= -1.15 X(o=-1.2,f=-1) USER MOD Single : A 129 ASN : amide:sc= -0.0456 K(o=-0.046,f=-1.4) USER MOD Single : A 134 CYS SG : rot -26:sc= -0.175 USER MOD Single : A 145 SER OG : rot 160:sc= 0 USER MOD Single : A 146 GLN : amide:sc= -0.0202 K(o=-0.02,f=-0.83) USER MOD Single : A 149 TYR OH : rot 42:sc= 0.916 USER MOD Single : A 155 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 ASN :FLIP amide:sc= -0.01 F(o=-0.55,f=-0.01) USER MOD Single : A 158 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.19) USER MOD Single : A 164 TYR OH : rot 159:sc= 0.559 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= -0.879 K(o=-0.88,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 80 36.545 33.264 -11.586 1.00 25.00 N ATOM 2 CA MET A 80 35.457 32.258 -11.702 1.00 25.00 C ATOM 3 C MET A 80 35.817 30.862 -11.179 1.00 25.00 C ATOM 4 O MET A 80 36.950 30.446 -11.121 1.00 25.00 O ATOM 5 CB MET A 80 34.994 32.197 -13.175 1.00 25.00 C ATOM 6 CG MET A 80 36.147 31.805 -14.121 1.00 25.00 C ATOM 7 SD MET A 80 35.640 31.841 -15.871 1.00 25.00 S ATOM 8 CE MET A 80 37.205 31.333 -16.659 1.00 25.00 C ATOM 0 HA MET A 80 34.646 32.590 -11.053 1.00 25.00 H new ATOM 0 HB2 MET A 80 34.183 31.475 -13.272 1.00 25.00 H new ATOM 0 HB3 MET A 80 34.594 33.167 -13.471 1.00 25.00 H new ATOM 0 HG2 MET A 80 36.985 32.486 -13.973 1.00 25.00 H new ATOM 0 HG3 MET A 80 36.500 30.806 -13.867 1.00 25.00 H new ATOM 0 HE1 MET A 80 37.074 31.302 -17.741 1.00 25.00 H new ATOM 0 HE2 MET A 80 37.988 32.049 -16.408 1.00 25.00 H new ATOM 0 HE3 MET A 80 37.489 30.344 -16.299 1.00 25.00 H new ATOM 18 N GLY A 81 34.789 30.113 -10.738 1.00 25.00 N ATOM 19 CA GLY A 81 34.992 28.760 -10.226 1.00 25.00 C ATOM 20 C GLY A 81 35.481 28.715 -8.787 1.00 25.00 C ATOM 21 O GLY A 81 36.085 27.747 -8.366 1.00 25.00 O ATOM 0 H GLY A 81 33.818 30.426 -10.729 1.00 25.00 H new ATOM 0 HA2 GLY A 81 34.054 28.210 -10.298 1.00 25.00 H new ATOM 0 HA3 GLY A 81 35.713 28.246 -10.861 1.00 25.00 H new ATOM 25 N HIS A 82 35.227 29.777 -8.035 1.00 25.00 N ATOM 26 CA HIS A 82 35.742 29.918 -6.664 1.00 25.00 C ATOM 27 C HIS A 82 35.092 29.009 -5.601 1.00 25.00 C ATOM 28 O HIS A 82 35.374 29.153 -4.415 1.00 25.00 O ATOM 29 CB HIS A 82 35.553 31.372 -6.208 1.00 25.00 C ATOM 30 CG HIS A 82 36.202 32.384 -7.104 1.00 25.00 C ATOM 31 ND1 HIS A 82 35.927 33.728 -7.068 1.00 25.00 N ATOM 32 CD2 HIS A 82 37.152 32.246 -8.073 1.00 25.00 C ATOM 33 CE1 HIS A 82 36.680 34.334 -7.978 1.00 25.00 C ATOM 34 NE2 HIS A 82 37.442 33.479 -8.626 1.00 25.00 N ATOM 0 H HIS A 82 34.662 30.566 -8.348 1.00 25.00 H new ATOM 0 HA HIS A 82 36.786 29.612 -6.727 1.00 25.00 H new ATOM 0 HB2 HIS A 82 34.486 31.587 -6.148 1.00 25.00 H new ATOM 0 HB3 HIS A 82 35.957 31.481 -5.202 1.00 25.00 H new ATOM 0 HD2 HIS A 82 37.610 31.312 -8.365 1.00 25.00 H new ATOM 0 HE1 HIS A 82 36.669 35.398 -8.164 1.00 25.00 H new ATOM 0 HE2 HIS A 82 38.104 33.682 -9.375 1.00 25.00 H new ATOM 42 N HIS A 83 34.203 28.110 -6.004 1.00 25.00 N ATOM 43 CA HIS A 83 33.501 27.249 -5.048 1.00 25.00 C ATOM 44 C HIS A 83 33.776 25.781 -5.336 1.00 25.00 C ATOM 45 O HIS A 83 33.706 25.332 -6.477 1.00 25.00 O ATOM 46 CB HIS A 83 31.999 27.529 -5.093 1.00 25.00 C ATOM 47 CG HIS A 83 31.647 28.933 -4.706 1.00 25.00 C ATOM 48 ND1 HIS A 83 30.871 29.775 -5.464 1.00 25.00 N ATOM 49 CD2 HIS A 83 31.990 29.662 -3.608 1.00 25.00 C ATOM 50 CE1 HIS A 83 30.774 30.938 -4.824 1.00 25.00 C ATOM 51 NE2 HIS A 83 31.438 30.925 -3.687 1.00 25.00 N ATOM 0 H HIS A 83 33.949 27.955 -6.980 1.00 25.00 H new ATOM 0 HA HIS A 83 33.872 27.472 -4.048 1.00 25.00 H new ATOM 0 HB2 HIS A 83 31.630 27.333 -6.100 1.00 25.00 H new ATOM 0 HB3 HIS A 83 31.487 26.836 -4.425 1.00 25.00 H new ATOM 0 HD2 HIS A 83 32.604 29.304 -2.795 1.00 25.00 H new ATOM 0 HE1 HIS A 83 30.219 31.788 -5.192 1.00 25.00 H new ATOM 0 HE2 HIS A 83 31.526 31.684 -3.011 1.00 25.00 H new ATOM 59 N HIS A 84 34.106 25.045 -4.285 1.00 25.00 N ATOM 60 CA HIS A 84 34.519 23.651 -4.407 1.00 25.00 C ATOM 61 C HIS A 84 33.388 22.683 -4.061 1.00 25.00 C ATOM 62 O HIS A 84 33.313 22.177 -2.942 1.00 25.00 O ATOM 63 CB HIS A 84 35.733 23.407 -3.507 1.00 25.00 C ATOM 64 CG HIS A 84 36.859 24.362 -3.756 1.00 25.00 C ATOM 65 ND1 HIS A 84 37.152 25.443 -2.958 1.00 25.00 N ATOM 66 CD2 HIS A 84 37.784 24.403 -4.755 1.00 25.00 C ATOM 67 CE1 HIS A 84 38.195 26.078 -3.485 1.00 25.00 C ATOM 68 NE2 HIS A 84 38.626 25.482 -4.577 1.00 25.00 N ATOM 0 H HIS A 84 34.096 25.394 -3.326 1.00 25.00 H new ATOM 0 HA HIS A 84 34.785 23.463 -5.447 1.00 25.00 H new ATOM 0 HB2 HIS A 84 35.425 23.484 -2.464 1.00 25.00 H new ATOM 0 HB3 HIS A 84 36.090 22.388 -3.659 1.00 25.00 H new ATOM 0 HD2 HIS A 84 37.849 23.695 -5.568 1.00 25.00 H new ATOM 0 HE1 HIS A 84 38.634 26.972 -3.068 1.00 25.00 H new ATOM 0 HE2 HIS A 84 39.413 25.758 -5.165 1.00 25.00 H new ATOM 76 N HIS A 85 32.539 22.432 -5.055 1.00 25.00 N ATOM 77 CA HIS A 85 31.395 21.502 -4.961 1.00 25.00 C ATOM 78 C HIS A 85 30.327 21.940 -3.948 1.00 25.00 C ATOM 79 O HIS A 85 30.445 22.972 -3.294 1.00 25.00 O ATOM 80 CB HIS A 85 31.861 20.072 -4.612 1.00 25.00 C ATOM 81 CG HIS A 85 33.148 19.674 -5.265 1.00 25.00 C ATOM 82 ND1 HIS A 85 34.360 19.646 -4.621 1.00 25.00 N ATOM 83 CD2 HIS A 85 33.413 19.257 -6.533 1.00 25.00 C ATOM 84 CE1 HIS A 85 35.282 19.239 -5.485 1.00 25.00 C ATOM 85 NE2 HIS A 85 34.761 18.991 -6.670 1.00 25.00 N ATOM 0 H HIS A 85 32.621 22.874 -5.971 1.00 25.00 H new ATOM 0 HA HIS A 85 30.937 21.516 -5.950 1.00 25.00 H new ATOM 0 HB2 HIS A 85 31.974 19.992 -3.531 1.00 25.00 H new ATOM 0 HB3 HIS A 85 31.084 19.366 -4.905 1.00 25.00 H new ATOM 0 HD2 HIS A 85 32.677 19.150 -7.317 1.00 25.00 H new ATOM 0 HE1 HIS A 85 36.329 19.125 -5.246 1.00 25.00 H new ATOM 0 HE2 HIS A 85 35.248 18.672 -7.507 1.00 25.00 H new ATOM 93 N HIS A 86 29.281 21.129 -3.830 1.00 25.00 N ATOM 94 CA HIS A 86 28.208 21.367 -2.859 1.00 25.00 C ATOM 95 C HIS A 86 28.027 20.148 -1.954 1.00 25.00 C ATOM 96 O HIS A 86 27.111 20.097 -1.138 1.00 25.00 O ATOM 97 CB HIS A 86 26.894 21.668 -3.586 1.00 25.00 C ATOM 98 CG HIS A 86 26.967 22.868 -4.477 1.00 25.00 C ATOM 99 ND1 HIS A 86 27.229 24.142 -4.038 1.00 25.00 N ATOM 100 CD2 HIS A 86 26.809 22.986 -5.825 1.00 25.00 C ATOM 101 CE1 HIS A 86 27.222 24.955 -5.088 1.00 25.00 C ATOM 102 NE2 HIS A 86 26.974 24.303 -6.206 1.00 25.00 N ATOM 0 H HIS A 86 29.149 20.292 -4.398 1.00 25.00 H new ATOM 0 HA HIS A 86 28.483 22.225 -2.246 1.00 25.00 H new ATOM 0 HB2 HIS A 86 26.610 20.800 -4.181 1.00 25.00 H new ATOM 0 HB3 HIS A 86 26.106 21.820 -2.848 1.00 25.00 H new ATOM 0 HD2 HIS A 86 26.587 22.170 -6.497 1.00 25.00 H new ATOM 0 HE1 HIS A 86 27.398 26.019 -5.033 1.00 25.00 H new ATOM 0 HE2 HIS A 86 26.916 24.688 -7.149 1.00 25.00 H new ATOM 110 N HIS A 87 28.897 19.161 -2.120 1.00 25.00 N ATOM 111 CA HIS A 87 28.821 17.920 -1.354 1.00 25.00 C ATOM 112 C HIS A 87 30.231 17.520 -0.949 1.00 25.00 C ATOM 113 O HIS A 87 31.198 17.949 -1.575 1.00 25.00 O ATOM 114 CB HIS A 87 28.203 16.797 -2.200 1.00 25.00 C ATOM 115 CG HIS A 87 26.911 17.175 -2.854 1.00 25.00 C ATOM 116 ND1 HIS A 87 25.769 17.528 -2.179 1.00 25.00 N ATOM 117 CD2 HIS A 87 26.578 17.260 -4.172 1.00 25.00 C ATOM 118 CE1 HIS A 87 24.826 17.810 -3.073 1.00 25.00 C ATOM 119 NE2 HIS A 87 25.265 17.663 -4.305 1.00 25.00 N ATOM 0 H HIS A 87 29.671 19.195 -2.784 1.00 25.00 H new ATOM 0 HA HIS A 87 28.195 18.077 -0.476 1.00 25.00 H new ATOM 0 HB2 HIS A 87 28.916 16.500 -2.969 1.00 25.00 H new ATOM 0 HB3 HIS A 87 28.037 15.926 -1.566 1.00 25.00 H new ATOM 0 HD2 HIS A 87 27.245 17.043 -4.994 1.00 25.00 H new ATOM 0 HE1 HIS A 87 23.823 18.121 -2.819 1.00 25.00 H new ATOM 0 HE2 HIS A 87 24.747 17.814 -5.171 1.00 25.00 H new ATOM 127 N HIS A 88 30.340 16.681 0.068 1.00 25.00 N ATOM 128 CA HIS A 88 31.634 16.165 0.501 1.00 25.00 C ATOM 129 C HIS A 88 32.170 15.230 -0.581 1.00 25.00 C ATOM 130 O HIS A 88 31.428 14.400 -1.108 1.00 25.00 O ATOM 131 CB HIS A 88 31.475 15.409 1.823 1.00 25.00 C ATOM 132 CG HIS A 88 32.757 14.850 2.356 1.00 25.00 C ATOM 133 ND1 HIS A 88 33.206 13.574 2.121 1.00 25.00 N ATOM 134 CD2 HIS A 88 33.706 15.417 3.153 1.00 25.00 C ATOM 135 CE1 HIS A 88 34.363 13.417 2.757 1.00 25.00 C ATOM 136 NE2 HIS A 88 34.717 14.512 3.399 1.00 25.00 N ATOM 0 H HIS A 88 29.547 16.340 0.612 1.00 25.00 H new ATOM 0 HA HIS A 88 32.333 16.987 0.656 1.00 25.00 H new ATOM 0 HB2 HIS A 88 31.046 16.081 2.566 1.00 25.00 H new ATOM 0 HB3 HIS A 88 30.765 14.594 1.682 1.00 25.00 H new ATOM 0 HD2 HIS A 88 33.671 16.426 3.536 1.00 25.00 H new ATOM 0 HE1 HIS A 88 34.941 12.505 2.749 1.00 25.00 H new ATOM 0 HE2 HIS A 88 35.558 14.659 3.958 1.00 25.00 H new ATOM 144 N HIS A 89 33.447 15.356 -0.903 1.00 25.00 N ATOM 145 CA HIS A 89 34.075 14.525 -1.921 1.00 25.00 C ATOM 146 C HIS A 89 35.462 14.148 -1.426 1.00 25.00 C ATOM 147 O HIS A 89 36.118 14.945 -0.762 1.00 25.00 O ATOM 148 CB HIS A 89 34.166 15.292 -3.242 1.00 25.00 C ATOM 149 CG HIS A 89 34.358 14.408 -4.433 1.00 25.00 C ATOM 150 ND1 HIS A 89 33.335 13.781 -5.099 1.00 25.00 N ATOM 151 CD2 HIS A 89 35.491 14.028 -5.089 1.00 25.00 C ATOM 152 CE1 HIS A 89 33.857 13.077 -6.098 1.00 25.00 C ATOM 153 NE2 HIS A 89 35.168 13.185 -6.135 1.00 25.00 N ATOM 0 H HIS A 89 34.076 16.033 -0.470 1.00 25.00 H new ATOM 0 HA HIS A 89 33.485 13.626 -2.097 1.00 25.00 H new ATOM 0 HB2 HIS A 89 33.256 15.877 -3.377 1.00 25.00 H new ATOM 0 HB3 HIS A 89 34.994 15.998 -3.187 1.00 25.00 H new ATOM 0 HD2 HIS A 89 36.492 14.340 -4.830 1.00 25.00 H new ATOM 0 HE1 HIS A 89 33.277 12.489 -6.794 1.00 25.00 H new ATOM 0 HE2 HIS A 89 35.808 12.742 -6.794 1.00 25.00 H new ATOM 161 N HIS A 90 35.890 12.928 -1.706 1.00 25.00 N ATOM 162 CA HIS A 90 37.197 12.457 -1.257 1.00 25.00 C ATOM 163 C HIS A 90 38.265 12.966 -2.218 1.00 25.00 C ATOM 164 O HIS A 90 38.011 13.115 -3.408 1.00 25.00 O ATOM 165 CB HIS A 90 37.221 10.927 -1.202 1.00 0.00 C ATOM 166 CG HIS A 90 36.344 10.350 -0.131 1.00 25.00 C ATOM 167 ND1 HIS A 90 36.418 9.056 0.318 1.00 25.00 N ATOM 168 CD2 HIS A 90 35.352 10.921 0.609 1.00 25.00 C ATOM 169 CE1 HIS A 90 35.506 8.893 1.274 1.00 25.00 C ATOM 170 NE2 HIS A 90 34.825 10.000 1.491 1.00 25.00 N ATOM 0 H HIS A 90 35.355 12.244 -2.241 1.00 25.00 H new ATOM 0 HA HIS A 90 37.396 12.838 -0.255 1.00 25.00 H new ATOM 0 HB2 HIS A 90 36.907 10.532 -2.168 1.00 0.00 H new ATOM 0 HB3 HIS A 90 38.246 10.594 -1.039 1.00 0.00 H new ATOM 0 HD2 HIS A 90 35.026 11.946 0.518 1.00 25.00 H new ATOM 0 HE1 HIS A 90 35.344 7.967 1.806 1.00 25.00 H new ATOM 0 HE2 HIS A 90 34.072 10.145 2.164 1.00 25.00 H new ATOM 178 N HIS A 91 39.451 13.243 -1.699 1.00 25.00 N ATOM 179 CA HIS A 91 40.545 13.736 -2.528 1.00 25.00 C ATOM 180 C HIS A 91 41.049 12.625 -3.454 1.00 25.00 C ATOM 181 O HIS A 91 41.073 11.452 -3.073 1.00 25.00 O ATOM 182 CB HIS A 91 41.687 14.234 -1.638 1.00 25.00 C ATOM 183 CG HIS A 91 42.679 15.097 -2.357 1.00 25.00 C ATOM 184 ND1 HIS A 91 43.711 14.623 -3.128 1.00 25.00 N ATOM 185 CD2 HIS A 91 42.791 16.452 -2.417 1.00 25.00 C ATOM 186 CE1 HIS A 91 44.379 15.661 -3.615 1.00 25.00 C ATOM 187 NE2 HIS A 91 43.858 16.804 -3.217 1.00 25.00 N ATOM 0 H HIS A 91 39.682 13.136 -0.711 1.00 25.00 H new ATOM 0 HA HIS A 91 40.181 14.563 -3.138 1.00 25.00 H new ATOM 0 HB2 HIS A 91 41.267 14.796 -0.804 1.00 25.00 H new ATOM 0 HB3 HIS A 91 42.206 13.375 -1.214 1.00 25.00 H new ATOM 0 HD1 HIS A 91 43.927 13.641 -3.298 1.00 25.00 H new ATOM 0 HD2 HIS A 91 42.140 17.150 -1.912 1.00 25.00 H new ATOM 0 HE1 HIS A 91 45.243 15.579 -4.258 1.00 25.00 H new ATOM 195 N SER A 92 41.464 13.002 -4.654 1.00 25.00 N ATOM 196 CA SER A 92 42.016 12.061 -5.623 1.00 25.00 C ATOM 197 C SER A 92 43.323 11.444 -5.124 1.00 25.00 C ATOM 198 O SER A 92 44.025 12.031 -4.298 1.00 25.00 O ATOM 199 CB SER A 92 42.284 12.793 -6.936 1.00 25.00 C ATOM 200 OG SER A 92 41.124 13.491 -7.355 1.00 25.00 O ATOM 0 H SER A 92 41.429 13.966 -4.985 1.00 25.00 H new ATOM 0 HA SER A 92 41.291 11.260 -5.768 1.00 25.00 H new ATOM 0 HB2 SER A 92 43.111 13.492 -6.809 1.00 25.00 H new ATOM 0 HB3 SER A 92 42.585 12.080 -7.703 1.00 25.00 H new ATOM 0 HG SER A 92 41.309 13.957 -8.197 1.00 25.00 H new ATOM 206 N SER A 93 43.662 10.280 -5.655 1.00 25.00 N ATOM 207 CA SER A 93 44.907 9.596 -5.319 1.00 25.00 C ATOM 208 C SER A 93 45.281 8.778 -6.547 1.00 25.00 C ATOM 209 O SER A 93 44.436 8.567 -7.416 1.00 25.00 O ATOM 210 CB SER A 93 44.706 8.687 -4.104 1.00 25.00 C ATOM 211 OG SER A 93 45.929 8.085 -3.706 1.00 25.00 O ATOM 0 H SER A 93 43.084 9.780 -6.331 1.00 25.00 H new ATOM 0 HA SER A 93 45.695 10.303 -5.060 1.00 25.00 H new ATOM 0 HB2 SER A 93 44.297 9.267 -3.277 1.00 25.00 H new ATOM 0 HB3 SER A 93 43.977 7.913 -4.342 1.00 25.00 H new ATOM 0 HG SER A 93 45.773 7.511 -2.927 1.00 25.00 H new ATOM 217 N GLY A 94 46.525 8.320 -6.617 1.00 25.00 N ATOM 218 CA GLY A 94 46.989 7.548 -7.765 1.00 25.00 C ATOM 219 C GLY A 94 47.927 8.352 -8.641 1.00 25.00 C ATOM 220 O GLY A 94 47.668 8.577 -9.817 1.00 25.00 O ATOM 0 H GLY A 94 47.230 8.469 -5.895 1.00 25.00 H new ATOM 0 HA2 GLY A 94 47.498 6.649 -7.417 1.00 25.00 H new ATOM 0 HA3 GLY A 94 46.132 7.221 -8.354 1.00 25.00 H new ATOM 224 N HIS A 95 49.014 8.822 -8.048 1.00 25.00 N ATOM 225 CA HIS A 95 49.971 9.667 -8.753 1.00 25.00 C ATOM 226 C HIS A 95 51.113 8.813 -9.295 1.00 25.00 C ATOM 227 O HIS A 95 51.773 8.104 -8.536 1.00 25.00 O ATOM 228 CB HIS A 95 50.507 10.728 -7.788 1.00 25.00 C ATOM 229 CG HIS A 95 49.428 11.419 -7.009 1.00 25.00 C ATOM 230 ND1 HIS A 95 49.553 11.822 -5.703 1.00 25.00 N ATOM 231 CD2 HIS A 95 48.161 11.772 -7.367 1.00 25.00 C ATOM 232 CE1 HIS A 95 48.402 12.376 -5.327 1.00 25.00 C ATOM 233 NE2 HIS A 95 47.516 12.366 -6.302 1.00 25.00 N ATOM 0 H HIS A 95 49.258 8.632 -7.076 1.00 25.00 H new ATOM 0 HA HIS A 95 49.481 10.161 -9.592 1.00 25.00 H new ATOM 0 HB2 HIS A 95 51.204 10.259 -7.093 1.00 25.00 H new ATOM 0 HB3 HIS A 95 51.071 11.471 -8.352 1.00 25.00 H new ATOM 0 HD2 HIS A 95 47.726 11.610 -8.342 1.00 25.00 H new ATOM 0 HE1 HIS A 95 48.217 12.783 -4.344 1.00 25.00 H new ATOM 0 HE2 HIS A 95 46.560 12.721 -6.275 1.00 25.00 H new ATOM 241 N ILE A 96 51.326 8.867 -10.601 1.00 25.00 N ATOM 242 CA ILE A 96 52.396 8.114 -11.254 1.00 25.00 C ATOM 243 C ILE A 96 53.151 9.077 -12.160 1.00 25.00 C ATOM 244 O ILE A 96 52.628 10.126 -12.519 1.00 25.00 O ATOM 245 CB ILE A 96 51.845 6.903 -12.078 1.00 25.00 C ATOM 246 CG1 ILE A 96 50.864 7.379 -13.173 1.00 25.00 C ATOM 247 CG2 ILE A 96 51.155 5.887 -11.128 1.00 25.00 C ATOM 248 CD1 ILE A 96 50.448 6.286 -14.170 1.00 25.00 C ATOM 0 H ILE A 96 50.766 9.431 -11.240 1.00 25.00 H new ATOM 0 HA ILE A 96 53.057 7.694 -10.495 1.00 25.00 H new ATOM 0 HB ILE A 96 52.682 6.411 -12.573 1.00 25.00 H new ATOM 0 HG12 ILE A 96 49.969 7.777 -12.694 1.00 25.00 H new ATOM 0 HG13 ILE A 96 51.323 8.200 -13.723 1.00 25.00 H new ATOM 0 HG21 ILE A 96 50.774 5.047 -11.709 1.00 25.00 H new ATOM 0 HG22 ILE A 96 51.877 5.525 -10.396 1.00 25.00 H new ATOM 0 HG23 ILE A 96 50.329 6.375 -10.611 1.00 25.00 H new ATOM 0 HD11 ILE A 96 49.759 6.706 -14.903 1.00 25.00 H new ATOM 0 HD12 ILE A 96 51.332 5.903 -14.680 1.00 25.00 H new ATOM 0 HD13 ILE A 96 49.957 5.473 -13.635 1.00 25.00 H new ATOM 260 N GLU A 97 54.389 8.734 -12.488 1.00 25.00 N ATOM 261 CA GLU A 97 55.243 9.613 -13.288 1.00 25.00 C ATOM 262 C GLU A 97 56.203 8.797 -14.158 1.00 25.00 C ATOM 263 O GLU A 97 56.127 8.814 -15.379 1.00 25.00 O ATOM 264 CB GLU A 97 56.035 10.517 -12.335 1.00 25.00 C ATOM 265 CG GLU A 97 56.879 11.586 -13.007 1.00 25.00 C ATOM 266 CD GLU A 97 57.773 12.282 -11.997 1.00 25.00 C ATOM 267 OE1 GLU A 97 57.302 12.554 -10.874 1.00 25.00 O ATOM 268 OE2 GLU A 97 58.987 12.391 -12.247 1.00 25.00 O1- ATOM 0 H GLU A 97 54.828 7.855 -12.215 1.00 25.00 H new ATOM 0 HA GLU A 97 54.623 10.215 -13.952 1.00 25.00 H new ATOM 0 HB2 GLU A 97 55.335 11.004 -11.656 1.00 25.00 H new ATOM 0 HB3 GLU A 97 56.688 9.892 -11.726 1.00 25.00 H new ATOM 0 HG2 GLU A 97 57.489 11.135 -13.789 1.00 25.00 H new ATOM 0 HG3 GLU A 97 56.231 12.317 -13.490 1.00 25.00 H new ATOM 275 N GLY A 98 57.098 8.064 -13.510 1.00 25.00 N ATOM 276 CA GLY A 98 58.108 7.299 -14.216 1.00 25.00 C ATOM 277 C GLY A 98 59.237 7.042 -13.248 1.00 25.00 C ATOM 278 O GLY A 98 59.000 6.962 -12.041 1.00 25.00 O ATOM 0 H GLY A 98 57.142 7.985 -12.494 1.00 25.00 H new ATOM 0 HA2 GLY A 98 57.693 6.359 -14.580 1.00 25.00 H new ATOM 0 HA3 GLY A 98 58.466 7.848 -15.087 1.00 25.00 H new ATOM 282 N ARG A 99 60.462 6.946 -13.742 1.00 25.00 N ATOM 283 CA ARG A 99 61.627 6.837 -12.862 1.00 25.00 C ATOM 284 C ARG A 99 62.054 8.264 -12.587 1.00 25.00 C ATOM 285 O ARG A 99 62.043 9.077 -13.488 1.00 25.00 O ATOM 286 CB ARG A 99 62.789 6.092 -13.533 1.00 25.00 C ATOM 287 CG ARG A 99 62.776 4.577 -13.341 1.00 25.00 C ATOM 288 CD ARG A 99 61.792 3.878 -14.269 1.00 25.00 C ATOM 289 NE ARG A 99 61.892 2.414 -14.133 1.00 25.00 N ATOM 290 CZ ARG A 99 61.193 1.529 -14.836 1.00 25.00 C ATOM 291 NH1 ARG A 99 60.320 1.888 -15.745 1.00 25.00 N1+ ATOM 292 NH2 ARG A 99 61.387 0.257 -14.625 1.00 25.00 N ATOM 0 H ARG A 99 60.680 6.941 -14.738 1.00 25.00 H new ATOM 0 HA ARG A 99 61.371 6.279 -11.961 1.00 25.00 H new ATOM 0 HB2 ARG A 99 62.772 6.309 -14.601 1.00 25.00 H new ATOM 0 HB3 ARG A 99 63.728 6.485 -13.143 1.00 25.00 H new ATOM 0 HG2 ARG A 99 63.777 4.184 -13.516 1.00 25.00 H new ATOM 0 HG3 ARG A 99 62.520 4.348 -12.307 1.00 25.00 H new ATOM 0 HD2 ARG A 99 60.777 4.200 -14.039 1.00 25.00 H new ATOM 0 HD3 ARG A 99 61.991 4.166 -15.301 1.00 25.00 H new ATOM 0 HE ARG A 99 62.551 2.051 -13.444 1.00 25.00 H new ATOM 0 HH11 ARG A 99 60.158 2.877 -15.934 1.00 25.00 H new ATOM 0 HH12 ARG A 99 59.803 1.178 -16.264 1.00 25.00 H new ATOM 0 HH21 ARG A 99 62.067 -0.046 -13.928 1.00 25.00 H new ATOM 0 HH22 ARG A 99 60.858 -0.435 -15.157 1.00 25.00 H new ATOM 306 N HIS A 100 62.443 8.542 -11.355 1.00 25.00 N ATOM 307 CA HIS A 100 62.971 9.848 -10.969 1.00 25.00 C ATOM 308 C HIS A 100 63.784 9.603 -9.710 1.00 25.00 C ATOM 309 O HIS A 100 63.709 8.507 -9.145 1.00 25.00 O ATOM 310 CB HIS A 100 61.851 10.886 -10.774 1.00 25.00 C ATOM 311 CG HIS A 100 60.793 10.493 -9.789 1.00 25.00 C ATOM 312 ND1 HIS A 100 59.533 11.085 -9.771 1.00 25.00 N ATOM 313 CD2 HIS A 100 60.762 9.592 -8.769 1.00 25.00 C ATOM 314 CE1 HIS A 100 58.817 10.553 -8.796 1.00 25.00 C ATOM 315 NE2 HIS A 100 59.535 9.651 -8.181 1.00 25.00 N ATOM 0 H HIS A 100 62.403 7.870 -10.589 1.00 25.00 H new ATOM 0 HA HIS A 100 63.597 10.279 -11.751 1.00 25.00 H new ATOM 0 HB2 HIS A 100 62.298 11.825 -10.449 1.00 25.00 H new ATOM 0 HB3 HIS A 100 61.378 11.074 -11.738 1.00 25.00 H new ATOM 0 HD2 HIS A 100 61.573 8.941 -8.476 1.00 25.00 H new ATOM 0 HE1 HIS A 100 57.801 10.821 -8.547 1.00 25.00 H new ATOM 0 HE2 HIS A 100 59.227 9.084 -7.391 1.00 25.00 H new ATOM 323 N MET A 101 64.583 10.574 -9.306 1.00 25.00 N ATOM 324 CA MET A 101 65.538 10.419 -8.209 1.00 25.00 C ATOM 325 C MET A 101 65.267 11.417 -7.089 1.00 25.00 C ATOM 326 O MET A 101 64.506 12.366 -7.262 1.00 25.00 O ATOM 327 CB MET A 101 66.953 10.630 -8.757 1.00 25.00 C ATOM 328 CG MET A 101 67.172 12.004 -9.360 1.00 25.00 C ATOM 329 SD MET A 101 68.779 12.145 -10.090 1.00 25.00 S ATOM 330 CE MET A 101 68.800 13.893 -10.479 1.00 25.00 C ATOM 0 H MET A 101 64.592 11.502 -9.729 1.00 25.00 H new ATOM 0 HA MET A 101 65.434 9.417 -7.793 1.00 25.00 H new ATOM 0 HB2 MET A 101 67.672 10.477 -7.952 1.00 25.00 H new ATOM 0 HB3 MET A 101 67.157 9.873 -9.515 1.00 25.00 H new ATOM 0 HG2 MET A 101 66.410 12.196 -10.115 1.00 25.00 H new ATOM 0 HG3 MET A 101 67.054 12.764 -8.588 1.00 25.00 H new ATOM 0 HE1 MET A 101 69.796 14.179 -10.816 1.00 25.00 H new ATOM 0 HE2 MET A 101 68.077 14.099 -11.269 1.00 25.00 H new ATOM 0 HE3 MET A 101 68.539 14.467 -9.590 1.00 25.00 H new ATOM 340 N LEU A 102 65.893 11.193 -5.942 1.00 25.00 N ATOM 341 CA LEU A 102 65.746 12.069 -4.783 1.00 25.00 C ATOM 342 C LEU A 102 67.113 12.663 -4.456 1.00 25.00 C ATOM 343 O LEU A 102 68.101 11.934 -4.391 1.00 25.00 O ATOM 344 CB LEU A 102 65.227 11.262 -3.583 1.00 25.00 C ATOM 345 CG LEU A 102 64.866 12.071 -2.323 1.00 25.00 C ATOM 346 CD1 LEU A 102 63.529 12.795 -2.495 1.00 25.00 C ATOM 347 CD2 LEU A 102 64.786 11.141 -1.118 1.00 25.00 C ATOM 0 H LEU A 102 66.517 10.401 -5.787 1.00 25.00 H new ATOM 0 HA LEU A 102 65.034 12.865 -5.001 1.00 25.00 H new ATOM 0 HB2 LEU A 102 64.343 10.708 -3.899 1.00 25.00 H new ATOM 0 HB3 LEU A 102 65.984 10.526 -3.312 1.00 25.00 H new ATOM 0 HG LEU A 102 65.645 12.817 -2.165 1.00 25.00 H new ATOM 0 HD11 LEU A 102 63.301 13.358 -1.590 1.00 25.00 H new ATOM 0 HD12 LEU A 102 63.592 13.479 -3.341 1.00 25.00 H new ATOM 0 HD13 LEU A 102 62.741 12.065 -2.677 1.00 25.00 H new ATOM 0 HD21 LEU A 102 64.530 11.718 -0.229 1.00 25.00 H new ATOM 0 HD22 LEU A 102 64.021 10.385 -1.292 1.00 25.00 H new ATOM 0 HD23 LEU A 102 65.750 10.654 -0.970 1.00 25.00 H new ATOM 359 N LEU A 103 67.162 13.971 -4.261 1.00 25.00 N ATOM 360 CA LEU A 103 68.401 14.676 -3.927 1.00 25.00 C ATOM 361 C LEU A 103 68.175 15.426 -2.630 1.00 25.00 C ATOM 362 O LEU A 103 67.038 15.756 -2.306 1.00 25.00 O ATOM 363 CB LEU A 103 68.756 15.687 -5.021 1.00 25.00 C ATOM 364 CG LEU A 103 69.006 15.137 -6.433 1.00 25.00 C ATOM 365 CD1 LEU A 103 69.296 16.314 -7.355 1.00 25.00 C ATOM 366 CD2 LEU A 103 70.163 14.159 -6.462 1.00 25.00 C ATOM 0 H LEU A 103 66.346 14.579 -4.329 1.00 25.00 H new ATOM 0 HA LEU A 103 69.215 13.957 -3.835 1.00 25.00 H new ATOM 0 HB2 LEU A 103 67.948 16.417 -5.081 1.00 25.00 H new ATOM 0 HB3 LEU A 103 69.650 16.226 -4.706 1.00 25.00 H new ATOM 0 HG LEU A 103 68.121 14.594 -6.763 1.00 25.00 H new ATOM 0 HD11 LEU A 103 69.477 15.948 -8.366 1.00 25.00 H new ATOM 0 HD12 LEU A 103 68.441 16.990 -7.362 1.00 25.00 H new ATOM 0 HD13 LEU A 103 70.177 16.847 -6.998 1.00 25.00 H new ATOM 0 HD21 LEU A 103 70.306 13.794 -7.479 1.00 25.00 H new ATOM 0 HD22 LEU A 103 71.071 14.659 -6.125 1.00 25.00 H new ATOM 0 HD23 LEU A 103 69.946 13.319 -5.802 1.00 25.00 H new ATOM 378 N THR A 104 69.244 15.733 -1.916 1.00 25.00 N ATOM 379 CA THR A 104 69.142 16.482 -0.663 1.00 25.00 C ATOM 380 C THR A 104 69.746 17.864 -0.864 1.00 25.00 C ATOM 381 O THR A 104 70.776 18.001 -1.514 1.00 25.00 O ATOM 382 CB THR A 104 69.891 15.755 0.470 1.00 25.00 C ATOM 383 OG1 THR A 104 69.517 14.375 0.470 1.00 25.00 O ATOM 384 CG2 THR A 104 69.546 16.339 1.834 1.00 25.00 C ATOM 0 H THR A 104 70.196 15.478 -2.178 1.00 25.00 H new ATOM 0 HA THR A 104 68.092 16.565 -0.384 1.00 25.00 H new ATOM 0 HB THR A 104 70.960 15.876 0.295 1.00 25.00 H new ATOM 0 HG1 THR A 104 69.992 13.907 1.188 1.00 25.00 H new ATOM 0 HG21 THR A 104 70.093 15.801 2.609 1.00 25.00 H new ATOM 0 HG22 THR A 104 69.823 17.393 1.859 1.00 25.00 H new ATOM 0 HG23 THR A 104 68.475 16.241 2.011 1.00 25.00 H new ATOM 392 N VAL A 105 69.111 18.890 -0.323 1.00 25.00 N ATOM 393 CA VAL A 105 69.615 20.255 -0.430 1.00 25.00 C ATOM 394 C VAL A 105 69.753 20.824 0.975 1.00 25.00 C ATOM 395 O VAL A 105 68.813 20.779 1.760 1.00 25.00 O ATOM 396 CB VAL A 105 68.657 21.154 -1.260 1.00 25.00 C ATOM 397 CG1 VAL A 105 69.244 22.572 -1.427 1.00 25.00 C ATOM 398 CG2 VAL A 105 68.398 20.534 -2.645 1.00 25.00 C ATOM 0 H VAL A 105 68.239 18.805 0.199 1.00 25.00 H new ATOM 0 HA VAL A 105 70.578 20.236 -0.941 1.00 25.00 H new ATOM 0 HB VAL A 105 67.713 21.225 -0.720 1.00 25.00 H new ATOM 0 HG11 VAL A 105 68.557 23.184 -2.011 1.00 25.00 H new ATOM 0 HG12 VAL A 105 69.388 23.024 -0.446 1.00 25.00 H new ATOM 0 HG13 VAL A 105 70.203 22.511 -1.942 1.00 25.00 H new ATOM 0 HG21 VAL A 105 67.725 21.178 -3.212 1.00 25.00 H new ATOM 0 HG22 VAL A 105 69.342 20.434 -3.181 1.00 25.00 H new ATOM 0 HG23 VAL A 105 67.943 19.551 -2.524 1.00 25.00 H new ATOM 408 N TYR A 106 70.926 21.347 1.292 1.00 25.00 N ATOM 409 CA TYR A 106 71.171 21.985 2.583 1.00 25.00 C ATOM 410 C TYR A 106 71.323 23.478 2.328 1.00 25.00 C ATOM 411 O TYR A 106 72.248 23.898 1.641 1.00 25.00 O ATOM 412 CB TYR A 106 72.434 21.411 3.231 1.00 25.00 C ATOM 413 CG TYR A 106 72.544 21.727 4.710 1.00 25.00 C ATOM 414 CD1 TYR A 106 72.760 23.048 5.161 1.00 25.00 C ATOM 415 CD2 TYR A 106 72.420 20.704 5.672 1.00 25.00 C ATOM 416 CE1 TYR A 106 72.839 23.339 6.550 1.00 25.00 C ATOM 417 CE2 TYR A 106 72.498 20.997 7.063 1.00 25.00 C ATOM 418 CZ TYR A 106 72.700 22.314 7.483 1.00 25.00 C ATOM 419 OH TYR A 106 72.766 22.609 8.818 1.00 25.00 O ATOM 0 H TYR A 106 71.733 21.344 0.669 1.00 25.00 H new ATOM 0 HA TYR A 106 70.344 21.800 3.269 1.00 25.00 H new ATOM 0 HB2 TYR A 106 72.444 20.329 3.096 1.00 25.00 H new ATOM 0 HB3 TYR A 106 73.310 21.805 2.716 1.00 25.00 H new ATOM 0 HD1 TYR A 106 72.866 23.847 4.442 1.00 25.00 H new ATOM 0 HD2 TYR A 106 72.264 19.685 5.350 1.00 25.00 H new ATOM 0 HE1 TYR A 106 73.007 24.353 6.882 1.00 25.00 H new ATOM 0 HE2 TYR A 106 72.401 20.205 7.790 1.00 25.00 H new ATOM 0 HH TYR A 106 72.650 21.788 9.341 1.00 25.00 H new ATOM 429 N CYS A 107 70.399 24.276 2.831 1.00 25.00 N ATOM 430 CA CYS A 107 70.419 25.717 2.616 1.00 25.00 C ATOM 431 C CYS A 107 70.996 26.413 3.839 1.00 25.00 C ATOM 432 O CYS A 107 70.472 26.273 4.928 1.00 25.00 O ATOM 433 CB CYS A 107 69.001 26.224 2.357 1.00 25.00 C ATOM 434 SG CYS A 107 68.942 27.985 1.958 1.00 25.00 S ATOM 0 H CYS A 107 69.616 23.949 3.397 1.00 25.00 H new ATOM 0 HA CYS A 107 71.042 25.938 1.749 1.00 25.00 H new ATOM 0 HB2 CYS A 107 68.563 25.656 1.536 1.00 25.00 H new ATOM 0 HB3 CYS A 107 68.387 26.036 3.238 1.00 25.00 H new ATOM 0 HG CYS A 107 67.810 28.483 2.359 1.00 25.00 H new ATOM 440 N VAL A 108 72.074 27.160 3.646 1.00 25.00 N ATOM 441 CA VAL A 108 72.754 27.868 4.730 1.00 25.00 C ATOM 442 C VAL A 108 72.469 29.364 4.664 1.00 25.00 C ATOM 443 O VAL A 108 72.631 30.001 3.613 1.00 25.00 O ATOM 444 CB VAL A 108 74.299 27.668 4.652 1.00 25.00 C ATOM 445 CG1 VAL A 108 74.997 28.378 5.829 1.00 25.00 C ATOM 446 CG2 VAL A 108 74.650 26.177 4.667 1.00 25.00 C ATOM 0 H VAL A 108 72.506 27.295 2.732 1.00 25.00 H new ATOM 0 HA VAL A 108 72.375 27.455 5.665 1.00 25.00 H new ATOM 0 HB VAL A 108 74.650 28.105 3.717 1.00 25.00 H new ATOM 0 HG11 VAL A 108 76.074 28.227 5.758 1.00 25.00 H new ATOM 0 HG12 VAL A 108 74.777 29.445 5.793 1.00 25.00 H new ATOM 0 HG13 VAL A 108 74.634 27.964 6.770 1.00 25.00 H new ATOM 0 HG21 VAL A 108 75.732 26.057 4.612 1.00 25.00 H new ATOM 0 HG22 VAL A 108 74.281 25.726 5.588 1.00 25.00 H new ATOM 0 HG23 VAL A 108 74.187 25.685 3.812 1.00 25.00 H new ATOM 456 N ARG A 109 72.099 29.937 5.803 1.00 25.00 N ATOM 457 CA ARG A 109 71.878 31.377 5.928 1.00 25.00 C ATOM 458 C ARG A 109 72.778 31.905 7.026 1.00 25.00 C ATOM 459 O ARG A 109 72.969 31.246 8.035 1.00 25.00 O ATOM 460 CB ARG A 109 70.424 31.648 6.303 1.00 25.00 C ATOM 461 CG ARG A 109 69.433 31.364 5.184 1.00 25.00 C ATOM 462 CD ARG A 109 68.759 32.642 4.724 1.00 25.00 C ATOM 463 NE ARG A 109 67.883 33.223 5.756 1.00 25.00 N ATOM 464 CZ ARG A 109 67.176 34.340 5.625 1.00 25.00 C ATOM 465 NH1 ARG A 109 67.206 35.072 4.538 1.00 25.00 N1+ ATOM 466 NH2 ARG A 109 66.430 34.732 6.619 1.00 25.00 N ATOM 0 H ARG A 109 71.943 29.419 6.667 1.00 25.00 H new ATOM 0 HA ARG A 109 72.100 31.868 4.981 1.00 25.00 H new ATOM 0 HB2 ARG A 109 70.163 31.039 7.169 1.00 25.00 H new ATOM 0 HB3 ARG A 109 70.326 32.691 6.605 1.00 25.00 H new ATOM 0 HG2 ARG A 109 69.949 30.897 4.345 1.00 25.00 H new ATOM 0 HG3 ARG A 109 68.681 30.655 5.530 1.00 25.00 H new ATOM 0 HD2 ARG A 109 69.521 33.371 4.447 1.00 25.00 H new ATOM 0 HD3 ARG A 109 68.173 32.437 3.828 1.00 25.00 H new ATOM 0 HE ARG A 109 67.814 32.727 6.644 1.00 25.00 H new ATOM 0 HH11 ARG A 109 67.789 34.791 3.750 1.00 25.00 H new ATOM 0 HH12 ARG A 109 66.647 35.923 4.481 1.00 25.00 H new ATOM 0 HH21 ARG A 109 66.396 34.184 7.479 1.00 25.00 H new ATOM 0 HH22 ARG A 109 65.880 35.587 6.538 1.00 25.00 H new ATOM 480 N ARG A 110 73.301 33.113 6.848 1.00 25.00 N ATOM 481 CA ARG A 110 74.167 33.732 7.867 1.00 25.00 C ATOM 482 C ARG A 110 73.411 34.025 9.154 1.00 25.00 C ATOM 483 O ARG A 110 74.005 34.117 10.211 1.00 25.00 O ATOM 484 CB ARG A 110 74.758 35.047 7.355 1.00 25.00 C ATOM 485 CG ARG A 110 75.794 34.881 6.259 1.00 25.00 C ATOM 486 CD ARG A 110 76.404 36.236 5.915 1.00 25.00 C ATOM 487 NE ARG A 110 77.454 36.128 4.886 1.00 25.00 N ATOM 488 CZ ARG A 110 77.253 36.178 3.573 1.00 25.00 C ATOM 489 NH1 ARG A 110 76.065 36.321 3.047 1.00 25.00 N1+ ATOM 490 NH2 ARG A 110 78.277 36.079 2.772 1.00 25.00 N ATOM 0 H ARG A 110 73.147 33.686 6.018 1.00 25.00 H new ATOM 0 HA ARG A 110 74.961 33.014 8.072 1.00 25.00 H new ATOM 0 HB2 ARG A 110 73.949 35.675 6.982 1.00 25.00 H new ATOM 0 HB3 ARG A 110 75.213 35.577 8.192 1.00 25.00 H new ATOM 0 HG2 ARG A 110 76.574 34.193 6.585 1.00 25.00 H new ATOM 0 HG3 ARG A 110 75.333 34.444 5.373 1.00 25.00 H new ATOM 0 HD2 ARG A 110 75.620 36.907 5.563 1.00 25.00 H new ATOM 0 HD3 ARG A 110 76.825 36.683 6.816 1.00 25.00 H new ATOM 0 HE ARG A 110 78.414 36.005 5.208 1.00 25.00 H new ATOM 0 HH11 ARG A 110 75.246 36.399 3.650 1.00 25.00 H new ATOM 0 HH12 ARG A 110 75.957 36.354 2.033 1.00 25.00 H new ATOM 0 HH21 ARG A 110 79.215 35.965 3.155 1.00 25.00 H new ATOM 0 HH22 ARG A 110 78.140 36.115 1.762 1.00 25.00 H new ATOM 504 N ASP A 111 72.100 34.156 9.042 1.00 25.00 N ATOM 505 CA ASP A 111 71.233 34.460 10.185 1.00 25.00 C ATOM 506 C ASP A 111 70.775 33.171 10.887 1.00 25.00 C ATOM 507 O ASP A 111 69.707 33.119 11.481 1.00 25.00 O ATOM 508 CB ASP A 111 70.028 35.260 9.678 1.00 25.00 C ATOM 509 CG ASP A 111 69.313 36.016 10.785 1.00 25.00 C ATOM 510 OD1 ASP A 111 69.987 36.495 11.720 1.00 25.00 O ATOM 511 OD2 ASP A 111 68.088 36.227 10.647 1.00 25.00 O1- ATOM 0 H ASP A 111 71.599 34.056 8.159 1.00 25.00 H new ATOM 0 HA ASP A 111 71.786 35.047 10.918 1.00 25.00 H new ATOM 0 HB2 ASP A 111 70.361 35.967 8.918 1.00 25.00 H new ATOM 0 HB3 ASP A 111 69.325 34.581 9.195 1.00 25.00 H new ATOM 516 N LEU A 112 71.583 32.120 10.746 1.00 25.00 N ATOM 517 CA LEU A 112 71.341 30.793 11.349 1.00 25.00 C ATOM 518 C LEU A 112 69.953 30.227 11.038 1.00 25.00 C ATOM 519 O LEU A 112 69.391 29.452 11.794 1.00 25.00 O ATOM 520 CB LEU A 112 71.572 30.841 12.868 1.00 25.00 C ATOM 521 CG LEU A 112 72.959 31.328 13.325 1.00 25.00 C ATOM 522 CD1 LEU A 112 72.991 31.407 14.850 1.00 25.00 C ATOM 523 CD2 LEU A 112 74.084 30.401 12.835 1.00 25.00 C ATOM 0 H LEU A 112 72.444 32.160 10.200 1.00 25.00 H new ATOM 0 HA LEU A 112 72.060 30.114 10.892 1.00 25.00 H new ATOM 0 HB2 LEU A 112 70.817 31.491 13.310 1.00 25.00 H new ATOM 0 HB3 LEU A 112 71.408 29.842 13.272 1.00 25.00 H new ATOM 0 HG LEU A 112 73.128 32.313 12.890 1.00 25.00 H new ATOM 0 HD11 LEU A 112 73.972 31.752 15.176 1.00 25.00 H new ATOM 0 HD12 LEU A 112 72.228 32.105 15.194 1.00 25.00 H new ATOM 0 HD13 LEU A 112 72.795 30.420 15.270 1.00 25.00 H new ATOM 0 HD21 LEU A 112 75.045 30.782 13.180 1.00 25.00 H new ATOM 0 HD22 LEU A 112 73.928 29.398 13.232 1.00 25.00 H new ATOM 0 HD23 LEU A 112 74.078 30.365 11.746 1.00 25.00 H new ATOM 535 N SER A 113 69.432 30.605 9.883 1.00 25.00 N ATOM 536 CA SER A 113 68.120 30.160 9.412 1.00 25.00 C ATOM 537 C SER A 113 68.266 28.910 8.558 1.00 25.00 C ATOM 538 O SER A 113 67.480 28.671 7.646 1.00 25.00 O ATOM 539 CB SER A 113 67.460 31.258 8.594 1.00 25.00 C ATOM 540 OG SER A 113 68.115 32.499 8.799 1.00 25.00 O ATOM 0 H SER A 113 69.907 31.235 9.236 1.00 25.00 H new ATOM 0 HA SER A 113 67.498 29.932 10.278 1.00 25.00 H new ATOM 0 HB2 SER A 113 67.488 30.997 7.536 1.00 25.00 H new ATOM 0 HB3 SER A 113 66.410 31.345 8.873 1.00 25.00 H new ATOM 0 HG SER A 113 67.451 33.188 9.011 1.00 25.00 H new ATOM 546 N GLU A 114 69.375 28.221 8.743 1.00 25.00 N ATOM 547 CA GLU A 114 69.743 27.128 7.857 1.00 25.00 C ATOM 548 C GLU A 114 68.852 25.903 8.084 1.00 25.00 C ATOM 549 O GLU A 114 68.323 25.683 9.173 1.00 25.00 O ATOM 550 CB GLU A 114 71.228 26.783 8.036 1.00 25.00 C ATOM 551 CG GLU A 114 71.637 26.248 9.404 1.00 25.00 C ATOM 552 CD GLU A 114 73.152 26.059 9.501 1.00 25.00 C ATOM 553 OE1 GLU A 114 73.854 26.331 8.495 1.00 25.00 O1- ATOM 554 OE2 GLU A 114 73.646 25.691 10.587 1.00 25.00 O1- ATOM 0 H GLU A 114 70.038 28.397 9.498 1.00 25.00 H new ATOM 0 HA GLU A 114 69.587 27.450 6.827 1.00 25.00 H new ATOM 0 HB2 GLU A 114 71.500 26.043 7.284 1.00 25.00 H new ATOM 0 HB3 GLU A 114 71.815 27.678 7.829 1.00 25.00 H new ATOM 0 HG2 GLU A 114 71.305 26.938 10.180 1.00 25.00 H new ATOM 0 HG3 GLU A 114 71.138 25.297 9.588 1.00 25.00 H new ATOM 561 N VAL A 115 68.625 25.168 7.006 1.00 25.00 N ATOM 562 CA VAL A 115 67.653 24.077 6.984 1.00 25.00 C ATOM 563 C VAL A 115 68.086 23.111 5.890 1.00 25.00 C ATOM 564 O VAL A 115 68.829 23.491 4.989 1.00 25.00 O ATOM 565 CB VAL A 115 66.204 24.652 6.695 1.00 25.00 C ATOM 566 CG1 VAL A 115 66.097 25.228 5.266 1.00 25.00 C ATOM 567 CG2 VAL A 115 65.108 23.594 6.931 1.00 25.00 C ATOM 0 H VAL A 115 69.108 25.309 6.119 1.00 25.00 H new ATOM 0 HA VAL A 115 67.614 23.563 7.944 1.00 25.00 H new ATOM 0 HB VAL A 115 66.043 25.464 7.404 1.00 25.00 H new ATOM 0 HG11 VAL A 115 65.090 25.613 5.103 1.00 25.00 H new ATOM 0 HG12 VAL A 115 66.819 26.036 5.144 1.00 25.00 H new ATOM 0 HG13 VAL A 115 66.307 24.442 4.540 1.00 25.00 H new ATOM 0 HG21 VAL A 115 64.131 24.029 6.722 1.00 25.00 H new ATOM 0 HG22 VAL A 115 65.275 22.743 6.270 1.00 25.00 H new ATOM 0 HG23 VAL A 115 65.142 23.260 7.968 1.00 25.00 H new ATOM 577 N THR A 116 67.612 21.878 5.935 1.00 25.00 N ATOM 578 CA THR A 116 67.867 20.935 4.859 1.00 25.00 C ATOM 579 C THR A 116 66.551 20.264 4.520 1.00 25.00 C ATOM 580 O THR A 116 65.678 20.122 5.377 1.00 25.00 O ATOM 581 CB THR A 116 68.979 19.913 5.223 1.00 25.00 C ATOM 582 OG1 THR A 116 69.312 19.132 4.071 1.00 25.00 O ATOM 583 CG2 THR A 116 68.560 18.971 6.343 1.00 25.00 C ATOM 0 H THR A 116 67.051 21.507 6.702 1.00 25.00 H new ATOM 0 HA THR A 116 68.249 21.461 3.984 1.00 25.00 H new ATOM 0 HB THR A 116 69.839 20.488 5.567 1.00 25.00 H new ATOM 0 HG1 THR A 116 69.153 19.660 3.261 1.00 25.00 H new ATOM 0 HG21 THR A 116 69.373 18.277 6.558 1.00 25.00 H new ATOM 0 HG22 THR A 116 68.330 19.549 7.238 1.00 25.00 H new ATOM 0 HG23 THR A 116 67.677 18.411 6.036 1.00 25.00 H new ATOM 591 N PHE A 117 66.391 19.919 3.254 1.00 25.00 N ATOM 592 CA PHE A 117 65.160 19.342 2.739 1.00 25.00 C ATOM 593 C PHE A 117 65.561 18.486 1.551 1.00 25.00 C ATOM 594 O PHE A 117 66.716 18.523 1.127 1.00 25.00 O ATOM 595 CB PHE A 117 64.178 20.448 2.329 1.00 25.00 C ATOM 596 CG PHE A 117 64.770 21.483 1.409 1.00 25.00 C ATOM 597 CD1 PHE A 117 64.756 21.292 0.013 1.00 25.00 C ATOM 598 CD2 PHE A 117 65.330 22.669 1.933 1.00 25.00 C ATOM 599 CE1 PHE A 117 65.286 22.275 -0.862 1.00 25.00 C ATOM 600 CE2 PHE A 117 65.864 23.661 1.074 1.00 25.00 C ATOM 601 CZ PHE A 117 65.838 23.471 -0.325 1.00 25.00 C ATOM 0 H PHE A 117 67.118 20.032 2.548 1.00 25.00 H new ATOM 0 HA PHE A 117 64.650 18.742 3.492 1.00 25.00 H new ATOM 0 HB2 PHE A 117 63.317 19.992 1.840 1.00 25.00 H new ATOM 0 HB3 PHE A 117 63.809 20.943 3.227 1.00 25.00 H new ATOM 0 HD1 PHE A 117 64.336 20.385 -0.396 1.00 25.00 H new ATOM 0 HD2 PHE A 117 65.351 22.822 3.002 1.00 25.00 H new ATOM 0 HE1 PHE A 117 65.270 22.116 -1.930 1.00 25.00 H new ATOM 0 HE2 PHE A 117 66.291 24.562 1.489 1.00 25.00 H new ATOM 0 HZ PHE A 117 66.235 24.229 -0.984 1.00 25.00 H new ATOM 611 N SER A 118 64.633 17.709 1.018 1.00 25.00 N ATOM 612 CA SER A 118 64.925 16.840 -0.116 1.00 25.00 C ATOM 613 C SER A 118 63.980 17.153 -1.258 1.00 25.00 C ATOM 614 O SER A 118 62.819 17.474 -1.033 1.00 25.00 O ATOM 615 CB SER A 118 64.778 15.377 0.292 1.00 25.00 C ATOM 616 OG SER A 118 63.456 15.118 0.740 1.00 25.00 O ATOM 0 H SER A 118 63.670 17.660 1.351 1.00 25.00 H new ATOM 0 HA SER A 118 65.951 17.014 -0.441 1.00 25.00 H new ATOM 0 HB2 SER A 118 65.015 14.732 -0.554 1.00 25.00 H new ATOM 0 HB3 SER A 118 65.490 15.140 1.083 1.00 25.00 H new ATOM 0 HG SER A 118 63.376 14.176 0.997 1.00 25.00 H new ATOM 622 N LEU A 119 64.476 17.034 -2.478 1.00 25.00 N ATOM 623 CA LEU A 119 63.684 17.297 -3.674 1.00 25.00 C ATOM 624 C LEU A 119 63.668 16.056 -4.533 1.00 25.00 C ATOM 625 O LEU A 119 64.661 15.338 -4.615 1.00 25.00 O ATOM 626 CB LEU A 119 64.291 18.448 -4.479 1.00 25.00 C ATOM 627 CG LEU A 119 64.160 19.858 -3.897 1.00 25.00 C ATOM 628 CD1 LEU A 119 64.900 20.797 -4.824 1.00 25.00 C ATOM 629 CD2 LEU A 119 62.702 20.295 -3.776 1.00 25.00 C ATOM 0 H LEU A 119 65.437 16.753 -2.670 1.00 25.00 H new ATOM 0 HA LEU A 119 62.672 17.570 -3.374 1.00 25.00 H new ATOM 0 HB2 LEU A 119 65.351 18.239 -4.620 1.00 25.00 H new ATOM 0 HB3 LEU A 119 63.832 18.447 -5.468 1.00 25.00 H new ATOM 0 HG LEU A 119 64.579 19.873 -2.891 1.00 25.00 H new ATOM 0 HD11 LEU A 119 64.830 21.816 -4.442 1.00 25.00 H new ATOM 0 HD12 LEU A 119 65.948 20.502 -4.880 1.00 25.00 H new ATOM 0 HD13 LEU A 119 64.456 20.751 -5.819 1.00 25.00 H new ATOM 0 HD21 LEU A 119 62.657 21.301 -3.359 1.00 25.00 H new ATOM 0 HD22 LEU A 119 62.238 20.290 -4.762 1.00 25.00 H new ATOM 0 HD23 LEU A 119 62.169 19.606 -3.121 1.00 25.00 H new ATOM 641 N GLN A 120 62.545 15.817 -5.189 1.00 25.00 N ATOM 642 CA GLN A 120 62.395 14.659 -6.065 1.00 25.00 C ATOM 643 C GLN A 120 62.250 15.175 -7.487 1.00 25.00 C ATOM 644 O GLN A 120 61.374 15.985 -7.771 1.00 25.00 O ATOM 645 CB GLN A 120 61.195 13.811 -5.635 1.00 25.00 C ATOM 646 CG GLN A 120 61.153 12.446 -6.300 1.00 25.00 C ATOM 647 CD GLN A 120 60.350 11.441 -5.505 1.00 25.00 C ATOM 648 OE1 GLN A 120 59.155 11.283 -5.692 1.00 25.00 O ATOM 649 NE2 GLN A 120 61.014 10.736 -4.627 1.00 25.00 N ATOM 0 H GLN A 120 61.718 16.411 -5.133 1.00 25.00 H new ATOM 0 HA GLN A 120 63.267 14.008 -6.003 1.00 25.00 H new ATOM 0 HB2 GLN A 120 61.221 13.680 -4.553 1.00 25.00 H new ATOM 0 HB3 GLN A 120 60.276 14.349 -5.869 1.00 25.00 H new ATOM 0 HG2 GLN A 120 60.723 12.544 -7.297 1.00 25.00 H new ATOM 0 HG3 GLN A 120 62.170 12.075 -6.427 1.00 25.00 H new ATOM 0 HE21 GLN A 120 62.013 10.894 -4.496 1.00 25.00 H new ATOM 0 HE22 GLN A 120 60.533 10.028 -4.073 1.00 25.00 H new ATOM 658 N VAL A 121 63.190 14.789 -8.336 1.00 25.00 N ATOM 659 CA VAL A 121 63.309 15.331 -9.691 1.00 25.00 C ATOM 660 C VAL A 121 63.773 14.221 -10.617 1.00 25.00 C ATOM 661 O VAL A 121 64.281 13.212 -10.154 1.00 25.00 O ATOM 662 CB VAL A 121 64.368 16.482 -9.740 1.00 25.00 C ATOM 663 CG1 VAL A 121 63.845 17.733 -9.033 1.00 25.00 C ATOM 664 CG2 VAL A 121 65.698 16.041 -9.090 1.00 25.00 C ATOM 0 H VAL A 121 63.896 14.089 -8.109 1.00 25.00 H new ATOM 0 HA VAL A 121 62.340 15.724 -9.997 1.00 25.00 H new ATOM 0 HB VAL A 121 64.549 16.715 -10.789 1.00 25.00 H new ATOM 0 HG11 VAL A 121 64.598 18.519 -9.080 1.00 25.00 H new ATOM 0 HG12 VAL A 121 62.933 18.074 -9.524 1.00 25.00 H new ATOM 0 HG13 VAL A 121 63.630 17.499 -7.990 1.00 25.00 H new ATOM 0 HG21 VAL A 121 66.416 16.860 -9.138 1.00 25.00 H new ATOM 0 HG22 VAL A 121 65.522 15.773 -8.048 1.00 25.00 H new ATOM 0 HG23 VAL A 121 66.096 15.178 -9.625 1.00 25.00 H new ATOM 674 N ASP A 122 63.621 14.395 -11.918 1.00 25.00 N ATOM 675 CA ASP A 122 64.134 13.410 -12.870 1.00 25.00 C ATOM 676 C ASP A 122 65.642 13.611 -13.060 1.00 25.00 C ATOM 677 O ASP A 122 66.190 14.644 -12.691 1.00 25.00 O ATOM 678 CB ASP A 122 63.434 13.535 -14.223 1.00 25.00 C ATOM 679 CG ASP A 122 63.897 12.472 -15.203 1.00 25.00 C ATOM 680 OD1 ASP A 122 64.037 11.304 -14.771 1.00 25.00 O1- ATOM 681 OD2 ASP A 122 64.357 12.837 -16.298 1.00 25.00 O1- ATOM 0 H ASP A 122 63.153 15.197 -12.341 1.00 25.00 H new ATOM 0 HA ASP A 122 63.938 12.416 -12.468 1.00 25.00 H new ATOM 0 HB2 ASP A 122 62.356 13.454 -14.082 1.00 25.00 H new ATOM 0 HB3 ASP A 122 63.627 14.523 -14.641 1.00 25.00 H new ATOM 686 N ALA A 123 66.300 12.640 -13.673 1.00 25.00 N ATOM 687 CA ALA A 123 67.713 12.744 -13.989 1.00 25.00 C ATOM 688 C ALA A 123 67.963 13.891 -14.985 1.00 25.00 C ATOM 689 O ALA A 123 68.956 14.617 -14.873 1.00 25.00 O ATOM 690 CB ALA A 123 68.199 11.411 -14.570 1.00 25.00 C ATOM 0 H ALA A 123 65.871 11.762 -13.964 1.00 25.00 H new ATOM 0 HA ALA A 123 68.270 12.965 -13.078 1.00 25.00 H new ATOM 0 HB1 ALA A 123 69.260 11.484 -14.809 1.00 25.00 H new ATOM 0 HB2 ALA A 123 68.045 10.618 -13.838 1.00 25.00 H new ATOM 0 HB3 ALA A 123 67.638 11.183 -15.476 1.00 25.00 H new ATOM 696 N ASP A 124 67.072 14.050 -15.956 1.00 25.00 N ATOM 697 CA ASP A 124 67.263 15.054 -17.008 1.00 25.00 C ATOM 698 C ASP A 124 66.637 16.408 -16.655 1.00 25.00 C ATOM 699 O ASP A 124 66.531 17.302 -17.488 1.00 25.00 O ATOM 700 CB ASP A 124 66.701 14.546 -18.338 1.00 25.00 C ATOM 701 CG ASP A 124 67.469 15.088 -19.542 1.00 25.00 C ATOM 702 OD1 ASP A 124 68.701 15.328 -19.414 1.00 25.00 O ATOM 703 OD2 ASP A 124 66.872 15.191 -20.634 1.00 25.00 O1- ATOM 0 H ASP A 124 66.215 13.504 -16.041 1.00 25.00 H new ATOM 0 HA ASP A 124 68.337 15.212 -17.101 1.00 25.00 H new ATOM 0 HB2 ASP A 124 66.734 13.457 -18.350 1.00 25.00 H new ATOM 0 HB3 ASP A 124 65.653 14.834 -18.420 1.00 25.00 H new ATOM 708 N PHE A 125 66.246 16.564 -15.399 1.00 25.00 N ATOM 709 CA PHE A 125 65.682 17.822 -14.913 1.00 25.00 C ATOM 710 C PHE A 125 66.744 18.916 -15.062 1.00 25.00 C ATOM 711 O PHE A 125 67.894 18.722 -14.671 1.00 25.00 O ATOM 712 CB PHE A 125 65.306 17.650 -13.444 1.00 25.00 C ATOM 713 CG PHE A 125 64.158 18.498 -12.985 1.00 25.00 C ATOM 714 CD1 PHE A 125 62.836 18.068 -13.202 1.00 25.00 C ATOM 715 CD2 PHE A 125 64.380 19.695 -12.282 1.00 25.00 C ATOM 716 CE1 PHE A 125 61.741 18.819 -12.715 1.00 25.00 C ATOM 717 CE2 PHE A 125 63.289 20.446 -11.777 1.00 25.00 C ATOM 718 CZ PHE A 125 61.970 20.006 -11.995 1.00 25.00 C ATOM 0 H PHE A 125 66.308 15.832 -14.691 1.00 25.00 H new ATOM 0 HA PHE A 125 64.794 18.098 -15.481 1.00 25.00 H new ATOM 0 HB2 PHE A 125 65.060 16.603 -13.267 1.00 25.00 H new ATOM 0 HB3 PHE A 125 66.177 17.880 -12.831 1.00 25.00 H new ATOM 0 HD1 PHE A 125 62.655 17.153 -13.747 1.00 25.00 H new ATOM 0 HD2 PHE A 125 65.390 20.045 -12.125 1.00 25.00 H new ATOM 0 HE1 PHE A 125 60.731 18.482 -12.895 1.00 25.00 H new ATOM 0 HE2 PHE A 125 63.470 21.356 -11.225 1.00 25.00 H new ATOM 0 HZ PHE A 125 61.137 20.577 -11.611 1.00 25.00 H new ATOM 728 N GLU A 126 66.379 20.048 -15.647 1.00 25.00 N ATOM 729 CA GLU A 126 67.347 21.124 -15.869 1.00 25.00 C ATOM 730 C GLU A 126 67.735 21.799 -14.568 1.00 25.00 C ATOM 731 O GLU A 126 66.910 21.955 -13.663 1.00 25.00 O ATOM 732 CB GLU A 126 66.779 22.203 -16.787 1.00 25.00 C ATOM 733 CG GLU A 126 66.923 21.909 -18.265 1.00 25.00 C ATOM 734 CD GLU A 126 66.690 23.160 -19.103 1.00 25.00 C ATOM 735 OE1 GLU A 126 67.451 24.144 -18.924 1.00 25.00 O ATOM 736 OE2 GLU A 126 65.711 23.196 -19.873 1.00 25.00 O1- ATOM 0 H GLU A 126 65.434 20.248 -15.974 1.00 25.00 H new ATOM 0 HA GLU A 126 68.219 20.656 -16.327 1.00 25.00 H new ATOM 0 HB2 GLU A 126 65.722 22.338 -16.558 1.00 25.00 H new ATOM 0 HB3 GLU A 126 67.276 23.148 -16.567 1.00 25.00 H new ATOM 0 HG2 GLU A 126 67.920 21.515 -18.464 1.00 25.00 H new ATOM 0 HG3 GLU A 126 66.211 21.136 -18.555 1.00 25.00 H new ATOM 743 N LEU A 127 68.966 22.288 -14.503 1.00 25.00 N ATOM 744 CA LEU A 127 69.430 23.039 -13.341 1.00 25.00 C ATOM 745 C LEU A 127 68.577 24.291 -13.155 1.00 25.00 C ATOM 746 O LEU A 127 68.303 24.698 -12.031 1.00 25.00 O ATOM 747 CB LEU A 127 70.877 23.482 -13.537 1.00 25.00 C ATOM 748 CG LEU A 127 71.861 23.415 -12.357 1.00 25.00 C ATOM 749 CD1 LEU A 127 73.066 24.280 -12.729 1.00 25.00 C ATOM 750 CD2 LEU A 127 71.282 23.900 -11.024 1.00 25.00 C ATOM 0 H LEU A 127 69.662 22.179 -15.240 1.00 25.00 H new ATOM 0 HA LEU A 127 69.352 22.391 -12.468 1.00 25.00 H new ATOM 0 HB2 LEU A 127 71.295 22.881 -14.344 1.00 25.00 H new ATOM 0 HB3 LEU A 127 70.857 24.514 -13.886 1.00 25.00 H new ATOM 0 HG LEU A 127 72.121 22.368 -12.198 1.00 25.00 H new ATOM 0 HD11 LEU A 127 73.792 24.261 -11.916 1.00 25.00 H new ATOM 0 HD12 LEU A 127 73.527 23.891 -13.637 1.00 25.00 H new ATOM 0 HD13 LEU A 127 72.739 25.306 -12.899 1.00 25.00 H new ATOM 0 HD21 LEU A 127 72.042 23.819 -10.246 1.00 25.00 H new ATOM 0 HD22 LEU A 127 70.970 24.940 -11.120 1.00 25.00 H new ATOM 0 HD23 LEU A 127 70.422 23.286 -10.756 1.00 25.00 H new ATOM 762 N HIS A 128 68.151 24.902 -14.257 1.00 25.00 N ATOM 763 CA HIS A 128 67.342 26.120 -14.180 1.00 25.00 C ATOM 764 C HIS A 128 66.040 25.854 -13.424 1.00 25.00 C ATOM 765 O HIS A 128 65.544 26.722 -12.701 1.00 25.00 O ATOM 766 CB HIS A 128 67.049 26.682 -15.589 1.00 25.00 C ATOM 767 CG HIS A 128 65.664 26.391 -16.090 1.00 25.00 C ATOM 768 ND1 HIS A 128 64.538 27.086 -15.714 1.00 25.00 N ATOM 769 CD2 HIS A 128 65.217 25.448 -16.965 1.00 25.00 C ATOM 770 CE1 HIS A 128 63.492 26.551 -16.335 1.00 25.00 C ATOM 771 NE2 HIS A 128 63.847 25.546 -17.105 1.00 25.00 N ATOM 0 H HIS A 128 68.348 24.580 -15.205 1.00 25.00 H new ATOM 0 HA HIS A 128 67.912 26.869 -13.631 1.00 25.00 H new ATOM 0 HB2 HIS A 128 67.200 27.761 -15.576 1.00 25.00 H new ATOM 0 HB3 HIS A 128 67.772 26.267 -16.291 1.00 25.00 H new ATOM 0 HD2 HIS A 128 65.842 24.729 -17.474 1.00 25.00 H new ATOM 0 HE1 HIS A 128 62.476 26.899 -16.221 1.00 25.00 H new ATOM 0 HE2 HIS A 128 63.240 24.964 -17.682 1.00 25.00 H new ATOM 779 N ASN A 129 65.489 24.663 -13.605 1.00 25.00 N ATOM 780 CA ASN A 129 64.249 24.284 -12.949 1.00 25.00 C ATOM 781 C ASN A 129 64.537 23.797 -11.527 1.00 25.00 C ATOM 782 O ASN A 129 63.814 24.097 -10.592 1.00 25.00 O ATOM 783 CB ASN A 129 63.548 23.205 -13.779 1.00 25.00 C ATOM 784 CG ASN A 129 62.061 23.152 -13.521 1.00 25.00 C ATOM 785 OD1 ASN A 129 61.542 23.852 -12.673 1.00 25.00 O ATOM 786 ND2 ASN A 129 61.369 22.342 -14.273 1.00 25.00 N ATOM 0 H ASN A 129 65.885 23.939 -14.205 1.00 25.00 H new ATOM 0 HA ASN A 129 63.588 25.147 -12.876 1.00 25.00 H new ATOM 0 HB2 ASN A 129 63.723 23.395 -14.838 1.00 25.00 H new ATOM 0 HB3 ASN A 129 63.988 22.234 -13.552 1.00 25.00 H new ATOM 0 HD21 ASN A 129 60.357 22.280 -14.160 1.00 25.00 H new ATOM 0 HD22 ASN A 129 61.840 21.770 -14.974 1.00 25.00 H new ATOM 793 N PHE A 130 65.637 23.078 -11.361 1.00 25.00 N ATOM 794 CA PHE A 130 66.031 22.570 -10.047 1.00 25.00 C ATOM 795 C PHE A 130 66.263 23.691 -9.050 1.00 25.00 C ATOM 796 O PHE A 130 65.782 23.642 -7.919 1.00 25.00 O ATOM 797 CB PHE A 130 67.315 21.763 -10.164 1.00 25.00 C ATOM 798 CG PHE A 130 67.801 21.222 -8.850 1.00 25.00 C ATOM 799 CD1 PHE A 130 67.120 20.161 -8.229 1.00 25.00 C ATOM 800 CD2 PHE A 130 68.935 21.775 -8.216 1.00 25.00 C ATOM 801 CE1 PHE A 130 67.571 19.632 -6.998 1.00 25.00 C ATOM 802 CE2 PHE A 130 69.396 21.252 -6.982 1.00 25.00 C ATOM 803 CZ PHE A 130 68.714 20.174 -6.376 1.00 25.00 C ATOM 0 H PHE A 130 66.275 22.831 -12.117 1.00 25.00 H new ATOM 0 HA PHE A 130 65.213 21.946 -9.689 1.00 25.00 H new ATOM 0 HB2 PHE A 130 67.153 20.934 -10.852 1.00 25.00 H new ATOM 0 HB3 PHE A 130 68.092 22.391 -10.600 1.00 25.00 H new ATOM 0 HD1 PHE A 130 66.241 19.744 -8.698 1.00 25.00 H new ATOM 0 HD2 PHE A 130 69.455 22.603 -8.675 1.00 25.00 H new ATOM 0 HE1 PHE A 130 67.040 18.813 -6.535 1.00 25.00 H new ATOM 0 HE2 PHE A 130 70.267 21.677 -6.506 1.00 25.00 H new ATOM 0 HZ PHE A 130 69.067 19.767 -5.440 1.00 25.00 H new ATOM 813 N ARG A 131 66.986 24.719 -9.468 1.00 25.00 N ATOM 814 CA ARG A 131 67.251 25.843 -8.577 1.00 25.00 C ATOM 815 C ARG A 131 65.958 26.586 -8.256 1.00 25.00 C ATOM 816 O ARG A 131 65.838 27.148 -7.188 1.00 25.00 O ATOM 817 CB ARG A 131 68.341 26.777 -9.130 1.00 25.00 C ATOM 818 CG ARG A 131 67.994 27.499 -10.419 1.00 25.00 C ATOM 819 CD ARG A 131 67.525 28.928 -10.173 1.00 25.00 C ATOM 820 NE ARG A 131 67.139 29.576 -11.437 1.00 25.00 N ATOM 821 CZ ARG A 131 67.969 30.195 -12.273 1.00 25.00 C ATOM 822 NH1 ARG A 131 69.255 30.302 -12.041 1.00 25.00 N1+ ATOM 823 NH2 ARG A 131 67.491 30.716 -13.367 1.00 25.00 N ATOM 0 H ARG A 131 67.394 24.801 -10.399 1.00 25.00 H new ATOM 0 HA ARG A 131 67.646 25.445 -7.642 1.00 25.00 H new ATOM 0 HB2 ARG A 131 68.576 27.522 -8.370 1.00 25.00 H new ATOM 0 HB3 ARG A 131 69.246 26.192 -9.294 1.00 25.00 H new ATOM 0 HG2 ARG A 131 68.867 27.513 -11.072 1.00 25.00 H new ATOM 0 HG3 ARG A 131 67.213 26.948 -10.943 1.00 25.00 H new ATOM 0 HD2 ARG A 131 66.678 28.925 -9.487 1.00 25.00 H new ATOM 0 HD3 ARG A 131 68.320 29.499 -9.694 1.00 25.00 H new ATOM 0 HE ARG A 131 66.152 29.548 -11.694 1.00 25.00 H new ATOM 0 HH11 ARG A 131 69.655 29.902 -11.192 1.00 25.00 H new ATOM 0 HH12 ARG A 131 69.855 30.785 -12.709 1.00 25.00 H new ATOM 0 HH21 ARG A 131 66.494 30.646 -13.572 1.00 25.00 H new ATOM 0 HH22 ARG A 131 68.113 31.194 -14.019 1.00 25.00 H new ATOM 837 N ALA A 132 64.980 26.552 -9.153 1.00 25.00 N ATOM 838 CA ALA A 132 63.688 27.175 -8.879 1.00 25.00 C ATOM 839 C ALA A 132 62.927 26.351 -7.827 1.00 25.00 C ATOM 840 O ALA A 132 62.297 26.904 -6.935 1.00 25.00 O ATOM 841 CB ALA A 132 62.866 27.293 -10.174 1.00 25.00 C ATOM 0 H ALA A 132 65.053 26.105 -10.067 1.00 25.00 H new ATOM 0 HA ALA A 132 63.852 28.179 -8.488 1.00 25.00 H new ATOM 0 HB1 ALA A 132 61.906 27.759 -9.954 1.00 25.00 H new ATOM 0 HB2 ALA A 132 63.409 27.904 -10.895 1.00 25.00 H new ATOM 0 HB3 ALA A 132 62.700 26.300 -10.591 1.00 25.00 H new ATOM 847 N LEU A 133 63.020 25.029 -7.911 1.00 25.00 N ATOM 848 CA LEU A 133 62.357 24.162 -6.936 1.00 25.00 C ATOM 849 C LEU A 133 62.966 24.357 -5.552 1.00 25.00 C ATOM 850 O LEU A 133 62.256 24.420 -4.555 1.00 25.00 O ATOM 851 CB LEU A 133 62.484 22.691 -7.347 1.00 25.00 C ATOM 852 CG LEU A 133 61.238 22.058 -7.989 1.00 25.00 C ATOM 853 CD1 LEU A 133 60.868 22.712 -9.323 1.00 25.00 C ATOM 854 CD2 LEU A 133 61.492 20.569 -8.203 1.00 25.00 C ATOM 0 H LEU A 133 63.542 24.535 -8.635 1.00 25.00 H new ATOM 0 HA LEU A 133 61.301 24.432 -6.906 1.00 25.00 H new ATOM 0 HB2 LEU A 133 63.314 22.601 -8.048 1.00 25.00 H new ATOM 0 HB3 LEU A 133 62.748 22.109 -6.464 1.00 25.00 H new ATOM 0 HG LEU A 133 60.399 22.215 -7.311 1.00 25.00 H new ATOM 0 HD11 LEU A 133 59.982 22.227 -9.733 1.00 25.00 H new ATOM 0 HD12 LEU A 133 60.662 23.771 -9.164 1.00 25.00 H new ATOM 0 HD13 LEU A 133 61.697 22.605 -10.023 1.00 25.00 H new ATOM 0 HD21 LEU A 133 60.613 20.112 -8.658 1.00 25.00 H new ATOM 0 HD22 LEU A 133 62.351 20.437 -8.861 1.00 25.00 H new ATOM 0 HD23 LEU A 133 61.693 20.093 -7.243 1.00 25.00 H new ATOM 866 N CYS A 134 64.285 24.480 -5.485 1.00 25.00 N ATOM 867 CA CYS A 134 64.939 24.683 -4.195 1.00 25.00 C ATOM 868 C CYS A 134 64.701 26.099 -3.672 1.00 25.00 C ATOM 869 O CYS A 134 64.738 26.320 -2.471 1.00 25.00 O ATOM 870 CB CYS A 134 66.437 24.353 -4.265 1.00 25.00 C ATOM 871 SG CYS A 134 67.485 25.612 -5.024 1.00 25.00 S ATOM 0 H CYS A 134 64.913 24.444 -6.288 1.00 25.00 H new ATOM 0 HA CYS A 134 64.489 23.990 -3.485 1.00 25.00 H new ATOM 0 HB2 CYS A 134 66.797 24.170 -3.253 1.00 25.00 H new ATOM 0 HB3 CYS A 134 66.559 23.423 -4.820 1.00 25.00 H new ATOM 0 HG CYS A 134 66.778 26.324 -5.851 1.00 25.00 H new ATOM 877 N GLU A 135 64.447 27.049 -4.566 1.00 25.00 N ATOM 878 CA GLU A 135 64.166 28.430 -4.164 1.00 25.00 C ATOM 879 C GLU A 135 62.848 28.462 -3.394 1.00 25.00 C ATOM 880 O GLU A 135 62.730 29.135 -2.372 1.00 25.00 O ATOM 881 CB GLU A 135 64.079 29.348 -5.398 1.00 25.00 C ATOM 882 CG GLU A 135 64.095 30.827 -5.065 1.00 25.00 C ATOM 883 CD GLU A 135 64.046 31.720 -6.300 1.00 25.00 C ATOM 884 OE1 GLU A 135 63.045 31.680 -7.045 1.00 25.00 O1- ATOM 885 OE2 GLU A 135 65.024 32.481 -6.522 1.00 25.00 O1- ATOM 0 H GLU A 135 64.429 26.892 -5.574 1.00 25.00 H new ATOM 0 HA GLU A 135 64.975 28.792 -3.529 1.00 25.00 H new ATOM 0 HB2 GLU A 135 64.913 29.126 -6.063 1.00 25.00 H new ATOM 0 HB3 GLU A 135 63.165 29.119 -5.946 1.00 25.00 H new ATOM 0 HG2 GLU A 135 63.245 31.058 -4.423 1.00 25.00 H new ATOM 0 HG3 GLU A 135 64.996 31.055 -4.495 1.00 25.00 H new ATOM 892 N LEU A 136 61.876 27.693 -3.871 1.00 25.00 N ATOM 893 CA LEU A 136 60.562 27.619 -3.233 1.00 25.00 C ATOM 894 C LEU A 136 60.658 27.054 -1.817 1.00 25.00 C ATOM 895 O LEU A 136 60.073 27.597 -0.888 1.00 25.00 O ATOM 896 CB LEU A 136 59.630 26.737 -4.078 1.00 25.00 C ATOM 897 CG LEU A 136 58.180 26.591 -3.582 1.00 25.00 C ATOM 898 CD1 LEU A 136 57.430 27.927 -3.616 1.00 25.00 C ATOM 899 CD2 LEU A 136 57.453 25.568 -4.455 1.00 25.00 C ATOM 0 H LEU A 136 61.972 27.108 -4.701 1.00 25.00 H new ATOM 0 HA LEU A 136 60.161 28.630 -3.166 1.00 25.00 H new ATOM 0 HB2 LEU A 136 59.605 27.141 -5.090 1.00 25.00 H new ATOM 0 HB3 LEU A 136 60.069 25.742 -4.143 1.00 25.00 H new ATOM 0 HG LEU A 136 58.206 26.254 -2.546 1.00 25.00 H new ATOM 0 HD11 LEU A 136 56.411 27.781 -3.258 1.00 25.00 H new ATOM 0 HD12 LEU A 136 57.940 28.647 -2.976 1.00 25.00 H new ATOM 0 HD13 LEU A 136 57.405 28.305 -4.638 1.00 25.00 H new ATOM 0 HD21 LEU A 136 56.425 25.460 -4.109 1.00 25.00 H new ATOM 0 HD22 LEU A 136 57.453 25.908 -5.491 1.00 25.00 H new ATOM 0 HD23 LEU A 136 57.961 24.606 -4.389 1.00 25.00 H new ATOM 911 N GLU A 137 61.408 25.972 -1.662 1.00 25.00 N ATOM 912 CA GLU A 137 61.573 25.327 -0.354 1.00 25.00 C ATOM 913 C GLU A 137 62.393 26.195 0.600 1.00 25.00 C ATOM 914 O GLU A 137 62.156 26.214 1.803 1.00 25.00 O ATOM 915 CB GLU A 137 62.292 23.990 -0.528 1.00 25.00 C ATOM 916 CG GLU A 137 61.428 22.878 -1.105 1.00 25.00 C ATOM 917 CD GLU A 137 60.496 22.262 -0.068 1.00 25.00 C ATOM 918 OE1 GLU A 137 61.000 21.631 0.888 1.00 25.00 O1- ATOM 919 OE2 GLU A 137 59.262 22.370 -0.234 1.00 25.00 O1- ATOM 0 H GLU A 137 61.914 25.518 -2.422 1.00 25.00 H new ATOM 0 HA GLU A 137 60.579 25.180 0.069 1.00 25.00 H new ATOM 0 HB2 GLU A 137 63.154 24.138 -1.179 1.00 25.00 H new ATOM 0 HB3 GLU A 137 62.675 23.669 0.441 1.00 25.00 H new ATOM 0 HG2 GLU A 137 60.836 23.274 -1.930 1.00 25.00 H new ATOM 0 HG3 GLU A 137 62.071 22.101 -1.518 1.00 25.00 H new ATOM 926 N SER A 138 63.378 26.899 0.061 1.00 25.00 N ATOM 927 CA SER A 138 64.259 27.728 0.886 1.00 25.00 C ATOM 928 C SER A 138 63.616 29.067 1.247 1.00 25.00 C ATOM 929 O SER A 138 63.991 29.693 2.236 1.00 25.00 O ATOM 930 CB SER A 138 65.575 27.975 0.155 1.00 25.00 C ATOM 931 OG SER A 138 66.208 26.752 -0.171 1.00 25.00 O ATOM 0 H SER A 138 63.590 26.916 -0.937 1.00 25.00 H new ATOM 0 HA SER A 138 64.443 27.186 1.813 1.00 25.00 H new ATOM 0 HB2 SER A 138 65.389 28.547 -0.754 1.00 25.00 H new ATOM 0 HB3 SER A 138 66.236 28.576 0.780 1.00 25.00 H new ATOM 0 HG SER A 138 65.823 26.395 -0.998 1.00 25.00 H new ATOM 937 N GLY A 139 62.661 29.511 0.437 1.00 25.00 N ATOM 938 CA GLY A 139 61.941 30.748 0.710 1.00 25.00 C ATOM 939 C GLY A 139 62.779 32.010 0.598 1.00 25.00 C ATOM 940 O GLY A 139 62.447 33.034 1.198 1.00 25.00 O ATOM 0 H GLY A 139 62.368 29.032 -0.414 1.00 25.00 H new ATOM 0 HA2 GLY A 139 61.101 30.824 0.019 1.00 25.00 H new ATOM 0 HA3 GLY A 139 61.523 30.694 1.715 1.00 25.00 H new ATOM 944 N ILE A 140 63.873 31.944 -0.148 1.00 25.00 N ATOM 945 CA ILE A 140 64.791 33.080 -0.293 1.00 25.00 C ATOM 946 C ILE A 140 65.196 33.260 -1.755 1.00 25.00 C ATOM 947 O ILE A 140 65.244 32.291 -2.498 1.00 25.00 O ATOM 948 CB ILE A 140 66.084 32.871 0.555 1.00 25.00 C ATOM 949 CG1 ILE A 140 66.777 31.538 0.192 1.00 25.00 C ATOM 950 CG2 ILE A 140 65.753 32.916 2.056 1.00 25.00 C ATOM 951 CD1 ILE A 140 68.180 31.379 0.747 1.00 25.00 C ATOM 0 H ILE A 140 64.153 31.112 -0.668 1.00 25.00 H new ATOM 0 HA ILE A 140 64.265 33.967 0.060 1.00 25.00 H new ATOM 0 HB ILE A 140 66.775 33.682 0.326 1.00 25.00 H new ATOM 0 HG12 ILE A 140 66.162 30.714 0.555 1.00 25.00 H new ATOM 0 HG13 ILE A 140 66.819 31.450 -0.894 1.00 25.00 H new ATOM 0 HG21 ILE A 140 66.665 32.769 2.634 1.00 25.00 H new ATOM 0 HG22 ILE A 140 65.319 33.884 2.304 1.00 25.00 H new ATOM 0 HG23 ILE A 140 65.040 32.127 2.295 1.00 25.00 H new ATOM 0 HD11 ILE A 140 68.585 30.415 0.441 1.00 25.00 H new ATOM 0 HD12 ILE A 140 68.815 32.178 0.364 1.00 25.00 H new ATOM 0 HD13 ILE A 140 68.149 31.430 1.835 1.00 25.00 H new ATOM 963 N PRO A 141 65.496 34.502 -2.188 1.00 25.00 N ATOM 964 CA PRO A 141 65.900 34.626 -3.596 1.00 25.00 C ATOM 965 C PRO A 141 67.241 33.955 -3.904 1.00 25.00 C ATOM 966 O PRO A 141 68.259 34.236 -3.262 1.00 25.00 O ATOM 967 CB PRO A 141 66.012 36.148 -3.794 1.00 25.00 C ATOM 968 CG PRO A 141 65.229 36.743 -2.668 1.00 25.00 C ATOM 969 CD PRO A 141 65.483 35.818 -1.524 1.00 25.00 C ATOM 0 HA PRO A 141 65.188 34.134 -4.259 1.00 25.00 H new ATOM 0 HB2 PRO A 141 67.052 36.474 -3.767 1.00 25.00 H new ATOM 0 HB3 PRO A 141 65.607 36.451 -4.760 1.00 25.00 H new ATOM 0 HG2 PRO A 141 65.561 37.757 -2.443 1.00 25.00 H new ATOM 0 HG3 PRO A 141 64.167 36.801 -2.907 1.00 25.00 H new ATOM 0 HD2 PRO A 141 66.429 36.034 -1.028 1.00 25.00 H new ATOM 0 HD3 PRO A 141 64.703 35.884 -0.765 1.00 25.00 H new ATOM 977 N ALA A 142 67.253 33.089 -4.905 1.00 25.00 N ATOM 978 CA ALA A 142 68.478 32.426 -5.346 1.00 25.00 C ATOM 979 C ALA A 142 69.469 33.429 -5.953 1.00 25.00 C ATOM 980 O ALA A 142 70.664 33.173 -6.002 1.00 25.00 O ATOM 981 CB ALA A 142 68.138 31.327 -6.363 1.00 25.00 C ATOM 0 H ALA A 142 66.422 32.825 -5.434 1.00 25.00 H new ATOM 0 HA ALA A 142 68.955 31.975 -4.476 1.00 25.00 H new ATOM 0 HB1 ALA A 142 69.055 30.836 -6.688 1.00 25.00 H new ATOM 0 HB2 ALA A 142 67.479 30.593 -5.899 1.00 25.00 H new ATOM 0 HB3 ALA A 142 67.639 31.770 -7.224 1.00 25.00 H new ATOM 987 N ALA A 143 68.952 34.545 -6.452 1.00 25.00 N ATOM 988 CA ALA A 143 69.762 35.547 -7.154 1.00 25.00 C ATOM 989 C ALA A 143 70.849 36.184 -6.275 1.00 25.00 C ATOM 990 O ALA A 143 71.887 36.602 -6.771 1.00 25.00 O ATOM 991 CB ALA A 143 68.839 36.638 -7.715 1.00 25.00 C ATOM 0 H ALA A 143 67.963 34.786 -6.385 1.00 25.00 H new ATOM 0 HA ALA A 143 70.285 35.028 -7.958 1.00 25.00 H new ATOM 0 HB1 ALA A 143 69.435 37.386 -8.238 1.00 25.00 H new ATOM 0 HB2 ALA A 143 68.127 36.191 -8.409 1.00 25.00 H new ATOM 0 HB3 ALA A 143 68.298 37.113 -6.897 1.00 25.00 H new ATOM 997 N GLU A 144 70.593 36.262 -4.978 1.00 25.00 N ATOM 998 CA GLU A 144 71.532 36.869 -4.028 1.00 25.00 C ATOM 999 C GLU A 144 72.214 35.764 -3.214 1.00 25.00 C ATOM 1000 O GLU A 144 72.802 35.995 -2.151 1.00 25.00 O ATOM 1001 CB GLU A 144 70.777 37.849 -3.123 1.00 25.00 C ATOM 1002 CG GLU A 144 69.736 37.190 -2.239 1.00 25.00 C ATOM 1003 CD GLU A 144 68.917 38.197 -1.455 1.00 25.00 C ATOM 1004 OE1 GLU A 144 68.156 38.964 -2.080 1.00 25.00 O1- ATOM 1005 OE2 GLU A 144 69.003 38.192 -0.208 1.00 25.00 O1- ATOM 0 H GLU A 144 69.736 35.911 -4.550 1.00 25.00 H new ATOM 0 HA GLU A 144 72.304 37.425 -4.560 1.00 25.00 H new ATOM 0 HB2 GLU A 144 71.495 38.374 -2.493 1.00 25.00 H new ATOM 0 HB3 GLU A 144 70.289 38.600 -3.744 1.00 25.00 H new ATOM 0 HG2 GLU A 144 69.070 36.587 -2.856 1.00 25.00 H new ATOM 0 HG3 GLU A 144 70.231 36.510 -1.545 1.00 25.00 H new ATOM 1012 N SER A 145 72.112 34.549 -3.726 1.00 25.00 N ATOM 1013 CA SER A 145 72.642 33.367 -3.066 1.00 25.00 C ATOM 1014 C SER A 145 73.551 32.619 -4.037 1.00 25.00 C ATOM 1015 O SER A 145 73.707 33.018 -5.187 1.00 25.00 O ATOM 1016 CB SER A 145 71.472 32.481 -2.627 1.00 25.00 C ATOM 1017 OG SER A 145 71.875 31.517 -1.672 1.00 25.00 O ATOM 0 H SER A 145 71.656 34.353 -4.617 1.00 25.00 H new ATOM 0 HA SER A 145 73.224 33.646 -2.188 1.00 25.00 H new ATOM 0 HB2 SER A 145 70.683 33.103 -2.205 1.00 25.00 H new ATOM 0 HB3 SER A 145 71.050 31.977 -3.497 1.00 25.00 H new ATOM 0 HG SER A 145 71.090 31.193 -1.183 1.00 25.00 H new ATOM 1023 N GLN A 146 74.150 31.534 -3.578 1.00 25.00 N ATOM 1024 CA GLN A 146 74.995 30.698 -4.420 1.00 25.00 C ATOM 1025 C GLN A 146 74.614 29.256 -4.171 1.00 25.00 C ATOM 1026 O GLN A 146 74.245 28.902 -3.066 1.00 25.00 O ATOM 1027 CB GLN A 146 76.469 30.915 -4.082 1.00 25.00 C ATOM 1028 CG GLN A 146 77.415 30.135 -4.982 1.00 25.00 C ATOM 1029 CD GLN A 146 78.857 30.491 -4.762 1.00 25.00 C ATOM 1030 OE1 GLN A 146 79.364 30.465 -3.648 1.00 25.00 O ATOM 1031 NE2 GLN A 146 79.532 30.807 -5.828 1.00 25.00 N ATOM 0 H GLN A 146 74.066 31.207 -2.616 1.00 25.00 H new ATOM 0 HA GLN A 146 74.851 30.957 -5.469 1.00 25.00 H new ATOM 0 HB2 GLN A 146 76.699 31.978 -4.159 1.00 25.00 H new ATOM 0 HB3 GLN A 146 76.643 30.625 -3.046 1.00 25.00 H new ATOM 0 HG2 GLN A 146 77.279 29.068 -4.806 1.00 25.00 H new ATOM 0 HG3 GLN A 146 77.155 30.322 -6.024 1.00 25.00 H new ATOM 0 HE21 GLN A 146 79.072 30.817 -6.738 1.00 25.00 H new ATOM 0 HE22 GLN A 146 80.521 31.045 -5.753 1.00 25.00 H new ATOM 1040 N ILE A 147 74.717 28.428 -5.194 1.00 25.00 N ATOM 1041 CA ILE A 147 74.381 27.018 -5.092 1.00 25.00 C ATOM 1042 C ILE A 147 75.621 26.227 -5.539 1.00 25.00 C ATOM 1043 O ILE A 147 76.314 26.616 -6.485 1.00 25.00 O ATOM 1044 CB ILE A 147 73.099 26.737 -5.925 1.00 25.00 C ATOM 1045 CG1 ILE A 147 72.695 25.260 -5.791 1.00 25.00 C ATOM 1046 CG2 ILE A 147 73.277 27.211 -7.386 1.00 25.00 C ATOM 1047 CD1 ILE A 147 71.367 24.885 -6.483 1.00 25.00 C ATOM 0 H ILE A 147 75.036 28.713 -6.120 1.00 25.00 H new ATOM 0 HA ILE A 147 74.139 26.706 -4.076 1.00 25.00 H new ATOM 0 HB ILE A 147 72.267 27.319 -5.529 1.00 25.00 H new ATOM 0 HG12 ILE A 147 73.491 24.641 -6.205 1.00 25.00 H new ATOM 0 HG13 ILE A 147 72.618 25.014 -4.732 1.00 25.00 H new ATOM 0 HG21 ILE A 147 72.367 27.004 -7.949 1.00 25.00 H new ATOM 0 HG22 ILE A 147 73.476 28.283 -7.399 1.00 25.00 H new ATOM 0 HG23 ILE A 147 74.114 26.681 -7.841 1.00 25.00 H new ATOM 0 HD11 ILE A 147 71.166 23.824 -6.334 1.00 25.00 H new ATOM 0 HD12 ILE A 147 70.555 25.472 -6.054 1.00 25.00 H new ATOM 0 HD13 ILE A 147 71.441 25.094 -7.550 1.00 25.00 H new ATOM 1059 N VAL A 148 75.969 25.207 -4.766 1.00 25.00 N ATOM 1060 CA VAL A 148 77.232 24.474 -4.916 1.00 25.00 C ATOM 1061 C VAL A 148 76.994 22.965 -4.811 1.00 25.00 C ATOM 1062 O VAL A 148 76.270 22.509 -3.934 1.00 25.00 O ATOM 1063 CB VAL A 148 78.233 24.900 -3.773 1.00 25.00 C ATOM 1064 CG1 VAL A 148 79.579 24.159 -3.880 1.00 25.00 C ATOM 1065 CG2 VAL A 148 78.489 26.418 -3.816 1.00 25.00 C ATOM 0 H VAL A 148 75.382 24.857 -4.009 1.00 25.00 H new ATOM 0 HA VAL A 148 77.649 24.710 -5.895 1.00 25.00 H new ATOM 0 HB VAL A 148 77.765 24.630 -2.826 1.00 25.00 H new ATOM 0 HG11 VAL A 148 80.238 24.483 -3.074 1.00 25.00 H new ATOM 0 HG12 VAL A 148 79.410 23.085 -3.802 1.00 25.00 H new ATOM 0 HG13 VAL A 148 80.043 24.384 -4.840 1.00 25.00 H new ATOM 0 HG21 VAL A 148 79.182 26.693 -3.020 1.00 25.00 H new ATOM 0 HG22 VAL A 148 78.919 26.687 -4.781 1.00 25.00 H new ATOM 0 HG23 VAL A 148 77.548 26.950 -3.677 1.00 25.00 H new ATOM 1075 N TYR A 149 77.642 22.196 -5.674 1.00 25.00 N ATOM 1076 CA TYR A 149 77.599 20.731 -5.621 1.00 25.00 C ATOM 1077 C TYR A 149 78.995 20.228 -5.959 1.00 25.00 C ATOM 1078 O TYR A 149 79.661 20.813 -6.806 1.00 25.00 O ATOM 1079 CB TYR A 149 76.596 20.182 -6.635 1.00 25.00 C ATOM 1080 CG TYR A 149 76.790 18.710 -6.920 1.00 25.00 C ATOM 1081 CD1 TYR A 149 76.447 17.732 -5.965 1.00 25.00 C ATOM 1082 CD2 TYR A 149 77.347 18.286 -8.145 1.00 25.00 C ATOM 1083 CE1 TYR A 149 76.656 16.351 -6.234 1.00 25.00 C ATOM 1084 CE2 TYR A 149 77.548 16.908 -8.415 1.00 25.00 C ATOM 1085 CZ TYR A 149 77.196 15.954 -7.462 1.00 25.00 C ATOM 1086 OH TYR A 149 77.392 14.629 -7.758 1.00 25.00 O ATOM 0 H TYR A 149 78.214 22.565 -6.433 1.00 25.00 H new ATOM 0 HA TYR A 149 77.287 20.399 -4.631 1.00 25.00 H new ATOM 0 HB2 TYR A 149 75.585 20.344 -6.262 1.00 25.00 H new ATOM 0 HB3 TYR A 149 76.686 20.742 -7.566 1.00 25.00 H new ATOM 0 HD1 TYR A 149 76.021 18.034 -5.020 1.00 25.00 H new ATOM 0 HD2 TYR A 149 77.624 19.020 -8.887 1.00 25.00 H new ATOM 0 HE1 TYR A 149 76.398 15.610 -5.492 1.00 25.00 H new ATOM 0 HE2 TYR A 149 77.973 16.598 -9.358 1.00 25.00 H new ATOM 0 HH TYR A 149 76.617 14.109 -7.458 1.00 25.00 H new ATOM 1096 N ALA A 150 79.442 19.179 -5.272 1.00 25.00 N ATOM 1097 CA ALA A 150 80.778 18.600 -5.480 1.00 25.00 C ATOM 1098 C ALA A 150 81.871 19.684 -5.449 1.00 25.00 C ATOM 1099 O ALA A 150 82.750 19.715 -6.308 1.00 25.00 O ATOM 1100 CB ALA A 150 80.814 17.813 -6.810 1.00 25.00 C ATOM 0 H ALA A 150 78.894 18.703 -4.556 1.00 25.00 H new ATOM 0 HA ALA A 150 80.983 17.910 -4.661 1.00 25.00 H new ATOM 0 HB1 ALA A 150 81.807 17.388 -6.955 1.00 25.00 H new ATOM 0 HB2 ALA A 150 80.077 17.010 -6.778 1.00 25.00 H new ATOM 0 HB3 ALA A 150 80.583 18.485 -7.637 1.00 25.00 H new ATOM 1106 N GLU A 151 81.760 20.578 -4.469 1.00 25.00 N ATOM 1107 CA GLU A 151 82.698 21.701 -4.252 1.00 25.00 C ATOM 1108 C GLU A 151 82.838 22.670 -5.441 1.00 25.00 C ATOM 1109 O GLU A 151 83.758 23.484 -5.484 1.00 25.00 O ATOM 1110 CB GLU A 151 84.082 21.177 -3.832 1.00 25.00 C ATOM 1111 CG GLU A 151 84.046 20.332 -2.563 1.00 25.00 C ATOM 1112 CD GLU A 151 85.440 19.981 -2.072 1.00 25.00 C ATOM 1113 OE1 GLU A 151 86.175 19.278 -2.801 1.00 25.00 O ATOM 1114 OE2 GLU A 151 85.805 20.417 -0.958 1.00 25.00 O1- ATOM 0 H GLU A 151 81.004 20.550 -3.785 1.00 25.00 H new ATOM 0 HA GLU A 151 82.254 22.287 -3.448 1.00 25.00 H new ATOM 0 HB2 GLU A 151 84.500 20.583 -4.645 1.00 25.00 H new ATOM 0 HB3 GLU A 151 84.752 22.023 -3.678 1.00 25.00 H new ATOM 0 HG2 GLU A 151 83.512 20.874 -1.782 1.00 25.00 H new ATOM 0 HG3 GLU A 151 83.488 19.416 -2.754 1.00 25.00 H new ATOM 1121 N ARG A 152 81.903 22.619 -6.380 1.00 25.00 N ATOM 1122 CA ARG A 152 81.916 23.507 -7.545 1.00 25.00 C ATOM 1123 C ARG A 152 80.601 24.270 -7.612 1.00 25.00 C ATOM 1124 O ARG A 152 79.545 23.714 -7.307 1.00 25.00 O ATOM 1125 CB ARG A 152 82.090 22.676 -8.817 1.00 25.00 C ATOM 1126 CG ARG A 152 83.456 22.014 -8.929 1.00 25.00 C ATOM 1127 CD ARG A 152 83.421 20.886 -9.947 1.00 25.00 C ATOM 1128 NE ARG A 152 84.741 20.252 -10.117 1.00 25.00 N ATOM 1129 CZ ARG A 152 85.259 19.319 -9.320 1.00 25.00 C ATOM 1130 NH1 ARG A 152 84.650 18.873 -8.254 1.00 25.00 N1+ ATOM 1131 NH2 ARG A 152 86.431 18.827 -9.607 1.00 25.00 N ATOM 0 H ARG A 152 81.118 21.968 -6.361 1.00 25.00 H new ATOM 0 HA ARG A 152 82.742 24.212 -7.457 1.00 25.00 H new ATOM 0 HB2 ARG A 152 81.319 21.906 -8.847 1.00 25.00 H new ATOM 0 HB3 ARG A 152 81.934 23.317 -9.684 1.00 25.00 H new ATOM 0 HG2 ARG A 152 84.201 22.753 -9.222 1.00 25.00 H new ATOM 0 HG3 ARG A 152 83.758 21.625 -7.957 1.00 25.00 H new ATOM 0 HD2 ARG A 152 82.697 20.135 -9.631 1.00 25.00 H new ATOM 0 HD3 ARG A 152 83.080 21.274 -10.906 1.00 25.00 H new ATOM 0 HE ARG A 152 85.305 20.553 -10.912 1.00 25.00 H new ATOM 0 HH11 ARG A 152 83.734 19.241 -7.999 1.00 25.00 H new ATOM 0 HH12 ARG A 152 85.091 18.157 -7.677 1.00 25.00 H new ATOM 0 HH21 ARG A 152 86.935 19.157 -10.430 1.00 25.00 H new ATOM 0 HH22 ARG A 152 86.844 18.112 -9.009 1.00 25.00 H new ATOM 1145 N PRO A 153 80.638 25.559 -7.990 1.00 25.00 N ATOM 1146 CA PRO A 153 79.337 26.221 -8.064 1.00 25.00 C ATOM 1147 C PRO A 153 78.525 25.707 -9.249 1.00 25.00 C ATOM 1148 O PRO A 153 79.068 25.360 -10.297 1.00 25.00 O ATOM 1149 CB PRO A 153 79.709 27.695 -8.223 1.00 25.00 C ATOM 1150 CG PRO A 153 81.003 27.662 -8.948 1.00 25.00 C ATOM 1151 CD PRO A 153 81.732 26.472 -8.371 1.00 25.00 C ATOM 0 HA PRO A 153 78.707 26.038 -7.194 1.00 25.00 H new ATOM 0 HB2 PRO A 153 78.950 28.240 -8.785 1.00 25.00 H new ATOM 0 HB3 PRO A 153 79.806 28.189 -7.256 1.00 25.00 H new ATOM 0 HG2 PRO A 153 80.853 27.553 -10.022 1.00 25.00 H new ATOM 0 HG3 PRO A 153 81.566 28.583 -8.797 1.00 25.00 H new ATOM 0 HD2 PRO A 153 82.401 26.016 -9.101 1.00 25.00 H new ATOM 0 HD3 PRO A 153 82.341 26.751 -7.511 1.00 25.00 H new ATOM 1159 N LEU A 154 77.221 25.645 -9.065 1.00 25.00 N ATOM 1160 CA LEU A 154 76.308 25.166 -10.098 1.00 25.00 C ATOM 1161 C LEU A 154 75.834 26.373 -10.912 1.00 0.00 C ATOM 1162 O LEU A 154 74.886 27.053 -10.526 1.00 25.00 O ATOM 1163 CB LEU A 154 75.126 24.444 -9.434 1.00 25.00 C ATOM 1164 CG LEU A 154 75.347 22.976 -9.029 1.00 25.00 C ATOM 1165 CD1 LEU A 154 74.196 22.502 -8.145 1.00 25.00 C ATOM 1166 CD2 LEU A 154 75.443 22.069 -10.239 1.00 25.00 C ATOM 0 H LEU A 154 76.760 25.923 -8.199 1.00 25.00 H new ATOM 0 HA LEU A 154 76.804 24.459 -10.763 1.00 25.00 H new ATOM 0 HB2 LEU A 154 74.844 25.003 -8.542 1.00 25.00 H new ATOM 0 HB3 LEU A 154 74.277 24.484 -10.117 1.00 25.00 H new ATOM 0 HG LEU A 154 76.289 22.925 -8.484 1.00 25.00 H new ATOM 0 HD11 LEU A 154 74.359 21.462 -7.862 1.00 25.00 H new ATOM 0 HD12 LEU A 154 74.148 23.119 -7.248 1.00 25.00 H new ATOM 0 HD13 LEU A 154 73.258 22.586 -8.693 1.00 25.00 H new ATOM 0 HD21 LEU A 154 75.599 21.041 -9.912 1.00 25.00 H new ATOM 0 HD22 LEU A 154 74.519 22.131 -10.814 1.00 25.00 H new ATOM 0 HD23 LEU A 154 76.280 22.382 -10.863 1.00 25.00 H new ATOM 1178 N THR A 155 76.551 26.687 -11.987 1.00 25.00 N ATOM 1179 CA THR A 155 76.295 27.912 -12.760 1.00 25.00 C ATOM 1180 C THR A 155 75.704 27.719 -14.154 1.00 25.00 C ATOM 1181 O THR A 155 74.928 28.555 -14.610 1.00 25.00 O ATOM 1182 CB THR A 155 77.605 28.705 -12.953 1.00 25.00 C ATOM 1183 OG1 THR A 155 78.577 27.870 -13.591 1.00 25.00 O ATOM 1184 CG2 THR A 155 78.176 29.146 -11.615 1.00 25.00 C ATOM 0 H THR A 155 77.315 26.115 -12.348 1.00 25.00 H new ATOM 0 HA THR A 155 75.550 28.434 -12.159 1.00 25.00 H new ATOM 0 HB THR A 155 77.381 29.582 -13.561 1.00 25.00 H new ATOM 0 HG1 THR A 155 79.409 28.373 -13.716 1.00 25.00 H new ATOM 0 HG21 THR A 155 79.099 29.703 -11.779 1.00 25.00 H new ATOM 0 HG22 THR A 155 77.454 29.783 -11.103 1.00 25.00 H new ATOM 0 HG23 THR A 155 78.385 28.269 -11.002 1.00 25.00 H new ATOM 1192 N ASP A 156 76.078 26.650 -14.848 1.00 25.00 N ATOM 1193 CA ASP A 156 75.618 26.448 -16.229 1.00 25.00 C ATOM 1194 C ASP A 156 74.212 25.868 -16.170 1.00 25.00 C ATOM 1195 O ASP A 156 74.032 24.651 -16.073 1.00 25.00 O ATOM 1196 CB ASP A 156 76.539 25.495 -17.008 1.00 25.00 C ATOM 1197 CG ASP A 156 77.971 25.994 -17.104 1.00 25.00 C ATOM 1198 OD1 ASP A 156 78.226 27.198 -16.879 1.00 25.00 O1- ATOM 1199 OD2 ASP A 156 78.854 25.149 -17.383 1.00 25.00 O1- ATOM 0 H ASP A 156 76.689 25.916 -14.490 1.00 25.00 H new ATOM 0 HA ASP A 156 75.631 27.404 -16.752 1.00 25.00 H new ATOM 0 HB2 ASP A 156 76.533 24.518 -16.525 1.00 25.00 H new ATOM 0 HB3 ASP A 156 76.141 25.356 -18.013 1.00 25.00 H new ATOM 1204 N ASN A 157 73.212 26.738 -16.156 1.00 25.00 N ATOM 1205 CA ASN A 157 71.834 26.305 -15.925 1.00 25.00 C ATOM 1206 C ASN A 157 71.245 25.483 -17.060 1.00 25.00 C ATOM 1207 O ASN A 157 70.184 24.894 -16.904 1.00 25.00 O ATOM 1208 CB ASN A 157 70.925 27.509 -15.652 1.00 25.00 C ATOM 1209 CG ASN A 157 70.683 28.352 -16.883 1.00 25.00 C ATOM 1210 OD1 ASN A 157 69.681 28.013 -17.650 1.00 25.00 O flip ATOM 1211 ND2 ASN A 157 71.383 29.314 -17.117 1.00 25.00 N flip ATOM 0 H ASN A 157 73.324 27.742 -16.300 1.00 25.00 H new ATOM 0 HA ASN A 157 71.880 25.655 -15.051 1.00 25.00 H new ATOM 0 HB2 ASN A 157 69.969 27.156 -15.265 1.00 25.00 H new ATOM 0 HB3 ASN A 157 71.374 28.129 -14.876 1.00 25.00 H new ATOM 0 HD21 ASN A 157 72.156 29.546 -16.493 1.00 25.00 H new ATOM 0 HD22 ASN A 157 71.199 29.891 -17.937 1.00 25.00 H new ATOM 1218 N HIS A 158 71.935 25.471 -18.191 1.00 25.00 N ATOM 1219 CA HIS A 158 71.487 24.761 -19.390 1.00 25.00 C ATOM 1220 C HIS A 158 71.715 23.257 -19.291 1.00 25.00 C ATOM 1221 O HIS A 158 71.316 22.500 -20.166 1.00 25.00 O ATOM 1222 CB HIS A 158 72.270 25.286 -20.595 1.00 25.00 C ATOM 1223 CG HIS A 158 72.545 26.756 -20.533 1.00 25.00 C ATOM 1224 ND1 HIS A 158 71.599 27.729 -20.730 1.00 25.00 N ATOM 1225 CD2 HIS A 158 73.700 27.431 -20.279 1.00 25.00 C ATOM 1226 CE1 HIS A 158 72.186 28.914 -20.582 1.00 25.00 C ATOM 1227 NE2 HIS A 158 73.469 28.791 -20.306 1.00 25.00 N ATOM 0 H HIS A 158 72.826 25.954 -18.308 1.00 25.00 H new ATOM 0 HA HIS A 158 70.416 24.936 -19.497 1.00 25.00 H new ATOM 0 HB2 HIS A 158 73.216 24.750 -20.665 1.00 25.00 H new ATOM 0 HB3 HIS A 158 71.711 25.067 -21.505 1.00 25.00 H new ATOM 0 HD2 HIS A 158 74.657 26.969 -20.085 1.00 25.00 H new ATOM 0 HE1 HIS A 158 71.674 29.860 -20.676 1.00 25.00 H new ATOM 0 HE2 HIS A 158 74.144 29.539 -20.147 1.00 25.00 H new ATOM 1235 N ARG A 159 72.415 22.829 -18.250 1.00 25.00 N ATOM 1236 CA ARG A 159 72.701 21.413 -18.066 1.00 25.00 C ATOM 1237 C ARG A 159 71.596 20.762 -17.268 1.00 25.00 C ATOM 1238 O ARG A 159 71.021 21.379 -16.370 1.00 25.00 O ATOM 1239 CB ARG A 159 73.996 21.221 -17.290 1.00 25.00 C ATOM 1240 CG ARG A 159 75.255 21.591 -18.026 1.00 25.00 C ATOM 1241 CD ARG A 159 76.430 20.910 -17.343 1.00 25.00 C ATOM 1242 NE ARG A 159 77.727 21.360 -17.865 1.00 25.00 N ATOM 1243 CZ ARG A 159 78.856 20.666 -17.800 1.00 25.00 C ATOM 1244 NH1 ARG A 159 78.920 19.465 -17.268 1.00 25.00 N1+ ATOM 1245 NH2 ARG A 159 79.945 21.191 -18.284 1.00 25.00 N ATOM 0 H ARG A 159 72.793 23.437 -17.524 1.00 25.00 H new ATOM 0 HA ARG A 159 72.785 20.963 -19.055 1.00 25.00 H new ATOM 0 HB2 ARG A 159 73.943 21.814 -16.377 1.00 25.00 H new ATOM 0 HB3 ARG A 159 74.066 20.176 -16.988 1.00 25.00 H new ATOM 0 HG2 ARG A 159 75.190 21.279 -19.068 1.00 25.00 H new ATOM 0 HG3 ARG A 159 75.391 22.673 -18.025 1.00 25.00 H new ATOM 0 HD2 ARG A 159 76.386 21.107 -16.272 1.00 25.00 H new ATOM 0 HD3 ARG A 159 76.345 19.831 -17.473 1.00 25.00 H new ATOM 0 HE ARG A 159 77.763 22.276 -18.312 1.00 25.00 H new ATOM 0 HH11 ARG A 159 78.080 19.032 -16.884 1.00 25.00 H new ATOM 0 HH12 ARG A 159 79.810 18.967 -17.239 1.00 25.00 H new ATOM 0 HH21 ARG A 159 79.920 22.120 -18.704 1.00 25.00 H new ATOM 0 HH22 ARG A 159 80.823 20.673 -18.243 1.00 25.00 H new ATOM 1259 N SER A 160 71.381 19.484 -17.515 1.00 25.00 N ATOM 1260 CA SER A 160 70.515 18.690 -16.664 1.00 25.00 C ATOM 1261 C SER A 160 71.332 18.244 -15.460 1.00 25.00 C ATOM 1262 O SER A 160 72.561 18.324 -15.466 1.00 25.00 O ATOM 1263 CB SER A 160 69.975 17.486 -17.422 1.00 25.00 C ATOM 1264 OG SER A 160 71.016 16.659 -17.916 1.00 25.00 O ATOM 0 H SER A 160 71.793 18.974 -18.296 1.00 25.00 H new ATOM 0 HA SER A 160 69.658 19.281 -16.341 1.00 25.00 H new ATOM 0 HB2 SER A 160 69.330 16.903 -16.765 1.00 25.00 H new ATOM 0 HB3 SER A 160 69.358 17.828 -18.253 1.00 25.00 H new ATOM 0 HG SER A 160 70.641 15.991 -18.527 1.00 25.00 H new ATOM 1270 N LEU A 161 70.666 17.783 -14.418 1.00 25.00 N ATOM 1271 CA LEU A 161 71.353 17.365 -13.196 1.00 25.00 C ATOM 1272 C LEU A 161 72.236 16.132 -13.438 1.00 25.00 C ATOM 1273 O LEU A 161 73.351 16.027 -12.895 1.00 25.00 O ATOM 1274 CB LEU A 161 70.307 17.098 -12.115 1.00 25.00 C ATOM 1275 CG LEU A 161 69.522 18.345 -11.673 1.00 25.00 C ATOM 1276 CD1 LEU A 161 68.362 17.911 -10.813 1.00 25.00 C ATOM 1277 CD2 LEU A 161 70.404 19.343 -10.904 1.00 25.00 C ATOM 0 H LEU A 161 69.651 17.686 -14.387 1.00 25.00 H new ATOM 0 HA LEU A 161 72.020 18.162 -12.867 1.00 25.00 H new ATOM 0 HB2 LEU A 161 69.603 16.351 -12.483 1.00 25.00 H new ATOM 0 HB3 LEU A 161 70.802 16.667 -11.245 1.00 25.00 H new ATOM 0 HG LEU A 161 69.164 18.857 -12.566 1.00 25.00 H new ATOM 0 HD11 LEU A 161 67.798 18.787 -10.494 1.00 25.00 H new ATOM 0 HD12 LEU A 161 67.712 17.250 -11.386 1.00 25.00 H new ATOM 0 HD13 LEU A 161 68.737 17.382 -9.937 1.00 25.00 H new ATOM 0 HD21 LEU A 161 69.807 20.207 -10.612 1.00 25.00 H new ATOM 0 HD22 LEU A 161 70.805 18.862 -10.012 1.00 25.00 H new ATOM 0 HD23 LEU A 161 71.226 19.669 -11.542 1.00 25.00 H new ATOM 1289 N ALA A 162 71.791 15.246 -14.320 1.00 25.00 N ATOM 1290 CA ALA A 162 72.586 14.082 -14.713 1.00 25.00 C ATOM 1291 C ALA A 162 73.897 14.511 -15.381 1.00 25.00 C ATOM 1292 O ALA A 162 74.913 13.837 -15.257 1.00 25.00 O ATOM 1293 CB ALA A 162 71.782 13.200 -15.663 1.00 25.00 C ATOM 0 H ALA A 162 70.882 15.309 -14.779 1.00 25.00 H new ATOM 0 HA ALA A 162 72.831 13.516 -13.814 1.00 25.00 H new ATOM 0 HB1 ALA A 162 72.380 12.336 -15.951 1.00 25.00 H new ATOM 0 HB2 ALA A 162 70.873 12.862 -15.165 1.00 25.00 H new ATOM 0 HB3 ALA A 162 71.517 13.771 -16.553 1.00 25.00 H new ATOM 1299 N SER A 163 73.879 15.657 -16.049 1.00 25.00 N ATOM 1300 CA SER A 163 75.075 16.190 -16.710 1.00 25.00 C ATOM 1301 C SER A 163 76.120 16.674 -15.699 1.00 25.00 C ATOM 1302 O SER A 163 77.284 16.874 -16.054 1.00 25.00 O ATOM 1303 CB SER A 163 74.707 17.332 -17.653 1.00 25.00 C ATOM 1304 OG SER A 163 73.775 16.911 -18.634 1.00 25.00 O ATOM 0 H SER A 163 73.049 16.241 -16.151 1.00 25.00 H new ATOM 0 HA SER A 163 75.512 15.373 -17.284 1.00 25.00 H new ATOM 0 HB2 SER A 163 74.286 18.158 -17.080 1.00 25.00 H new ATOM 0 HB3 SER A 163 75.607 17.708 -18.141 1.00 25.00 H new ATOM 0 HG SER A 163 72.879 16.872 -18.239 1.00 25.00 H new ATOM 1310 N TYR A 164 75.712 16.871 -14.451 1.00 25.00 N ATOM 1311 CA TYR A 164 76.651 17.217 -13.379 1.00 25.00 C ATOM 1312 C TYR A 164 76.979 15.976 -12.554 1.00 25.00 C ATOM 1313 O TYR A 164 77.879 16.002 -11.722 1.00 25.00 O ATOM 1314 CB TYR A 164 76.044 18.255 -12.446 1.00 25.00 C ATOM 1315 CG TYR A 164 76.051 19.656 -12.984 1.00 25.00 C ATOM 1316 CD1 TYR A 164 77.235 20.420 -12.979 1.00 25.00 C ATOM 1317 CD2 TYR A 164 74.871 20.247 -13.472 1.00 25.00 C ATOM 1318 CE1 TYR A 164 77.237 21.758 -13.441 1.00 25.00 C ATOM 1319 CE2 TYR A 164 74.870 21.581 -13.928 1.00 25.00 C ATOM 1320 CZ TYR A 164 76.051 22.326 -13.904 1.00 25.00 C ATOM 1321 OH TYR A 164 76.055 23.623 -14.327 1.00 25.00 O ATOM 0 H TYR A 164 74.740 16.798 -14.152 1.00 25.00 H new ATOM 0 HA TYR A 164 77.553 17.619 -13.841 1.00 25.00 H new ATOM 0 HB2 TYR A 164 75.016 17.969 -12.225 1.00 25.00 H new ATOM 0 HB3 TYR A 164 76.589 18.239 -11.502 1.00 25.00 H new ATOM 0 HD1 TYR A 164 78.153 19.979 -12.618 1.00 25.00 H new ATOM 0 HD2 TYR A 164 73.957 19.673 -13.497 1.00 25.00 H new ATOM 0 HE1 TYR A 164 78.150 22.334 -13.435 1.00 25.00 H new ATOM 0 HE2 TYR A 164 73.957 22.026 -14.295 1.00 25.00 H new ATOM 0 HH TYR A 164 75.286 23.778 -14.915 1.00 25.00 H new ATOM 1331 N GLY A 165 76.238 14.901 -12.782 1.00 25.00 N ATOM 1332 CA GLY A 165 76.431 13.674 -12.027 1.00 25.00 C ATOM 1333 C GLY A 165 75.601 13.595 -10.757 1.00 25.00 C ATOM 1334 O GLY A 165 75.919 12.801 -9.869 1.00 25.00 O ATOM 0 H GLY A 165 75.499 14.855 -13.483 1.00 25.00 H new ATOM 0 HA2 GLY A 165 76.184 12.825 -12.664 1.00 25.00 H new ATOM 0 HA3 GLY A 165 77.485 13.581 -11.767 1.00 25.00 H new ATOM 1338 N LEU A 166 74.532 14.382 -10.662 1.00 25.00 N ATOM 1339 CA LEU A 166 73.677 14.335 -9.472 1.00 25.00 C ATOM 1340 C LEU A 166 72.929 13.007 -9.402 1.00 25.00 C ATOM 1341 O LEU A 166 71.822 12.879 -9.903 1.00 25.00 O ATOM 1342 CB LEU A 166 72.646 15.472 -9.478 1.00 25.00 C ATOM 1343 CG LEU A 166 72.969 16.825 -8.828 1.00 25.00 C ATOM 1344 CD1 LEU A 166 73.310 16.662 -7.362 1.00 25.00 C ATOM 1345 CD2 LEU A 166 74.075 17.560 -9.540 1.00 25.00 C ATOM 0 H LEU A 166 74.239 15.048 -11.377 1.00 25.00 H new ATOM 0 HA LEU A 166 74.329 14.445 -8.605 1.00 25.00 H new ATOM 0 HB2 LEU A 166 72.391 15.669 -10.519 1.00 25.00 H new ATOM 0 HB3 LEU A 166 71.745 15.091 -8.996 1.00 25.00 H new ATOM 0 HG LEU A 166 72.066 17.429 -8.915 1.00 25.00 H new ATOM 0 HD11 LEU A 166 73.534 17.637 -6.930 1.00 25.00 H new ATOM 0 HD12 LEU A 166 72.463 16.219 -6.838 1.00 25.00 H new ATOM 0 HD13 LEU A 166 74.179 16.012 -7.261 1.00 25.00 H new ATOM 0 HD21 LEU A 166 74.262 18.510 -9.039 1.00 25.00 H new ATOM 0 HD22 LEU A 166 74.982 16.956 -9.524 1.00 25.00 H new ATOM 0 HD23 LEU A 166 73.782 17.747 -10.573 1.00 25.00 H new ATOM 1357 N LYS A 167 73.555 12.020 -8.794 1.00 25.00 N ATOM 1358 CA LYS A 167 72.915 10.721 -8.561 1.00 25.00 C ATOM 1359 C LYS A 167 71.991 10.789 -7.353 1.00 25.00 C ATOM 1360 O LYS A 167 72.107 11.677 -6.515 1.00 25.00 O ATOM 1361 CB LYS A 167 73.971 9.650 -8.329 1.00 25.00 C ATOM 1362 CG LYS A 167 74.819 9.401 -9.554 1.00 25.00 C ATOM 1363 CD LYS A 167 75.816 8.308 -9.302 1.00 25.00 C ATOM 1364 CE LYS A 167 76.691 8.120 -10.522 1.00 25.00 C ATOM 1365 NZ LYS A 167 77.684 7.030 -10.288 1.00 25.00 N1+ ATOM 0 H LYS A 167 74.512 12.084 -8.447 1.00 25.00 H new ATOM 0 HA LYS A 167 72.328 10.467 -9.444 1.00 25.00 H new ATOM 0 HB2 LYS A 167 74.613 9.950 -7.501 1.00 25.00 H new ATOM 0 HB3 LYS A 167 73.483 8.721 -8.033 1.00 25.00 H new ATOM 0 HG2 LYS A 167 74.180 9.129 -10.394 1.00 25.00 H new ATOM 0 HG3 LYS A 167 75.340 10.317 -9.833 1.00 25.00 H new ATOM 0 HD2 LYS A 167 76.431 8.557 -8.437 1.00 25.00 H new ATOM 0 HD3 LYS A 167 75.298 7.378 -9.068 1.00 25.00 H new ATOM 0 HE2 LYS A 167 76.073 7.878 -11.387 1.00 25.00 H new ATOM 0 HE3 LYS A 167 77.210 9.050 -10.752 1.00 25.00 H new ATOM 0 HZ1 LYS A 167 78.277 6.913 -11.134 1.00 25.00 H new ATOM 0 HZ2 LYS A 167 78.285 7.276 -9.476 1.00 25.00 H new ATOM 0 HZ3 LYS A 167 77.183 6.140 -10.091 1.00 25.00 H new ATOM 1379 N ASP A 168 71.089 9.828 -7.249 1.00 25.00 N ATOM 1380 CA ASP A 168 70.173 9.765 -6.118 1.00 25.00 C ATOM 1381 C ASP A 168 70.967 9.686 -4.817 1.00 25.00 C ATOM 1382 O ASP A 168 71.919 8.921 -4.691 1.00 25.00 O ATOM 1383 CB ASP A 168 69.207 8.573 -6.243 1.00 25.00 C ATOM 1384 CG ASP A 168 69.921 7.235 -6.440 1.00 25.00 C ATOM 1385 OD1 ASP A 168 70.609 7.061 -7.480 1.00 25.00 O ATOM 1386 OD2 ASP A 168 69.665 6.311 -5.638 1.00 25.00 O1- ATOM 0 H ASP A 168 70.970 9.080 -7.932 1.00 25.00 H new ATOM 0 HA ASP A 168 69.569 10.672 -6.112 1.00 25.00 H new ATOM 0 HB2 ASP A 168 68.589 8.519 -5.346 1.00 25.00 H new ATOM 0 HB3 ASP A 168 68.535 8.746 -7.083 1.00 25.00 H new ATOM 1391 N GLY A 169 70.591 10.538 -3.874 1.00 25.00 N ATOM 1392 CA GLY A 169 71.284 10.620 -2.600 1.00 25.00 C ATOM 1393 C GLY A 169 72.328 11.721 -2.523 1.00 25.00 C ATOM 1394 O GLY A 169 72.808 12.020 -1.430 1.00 25.00 O ATOM 0 H GLY A 169 69.807 11.183 -3.969 1.00 25.00 H new ATOM 0 HA2 GLY A 169 70.549 10.777 -1.810 1.00 25.00 H new ATOM 0 HA3 GLY A 169 71.767 9.663 -2.401 1.00 25.00 H new ATOM 1398 N ASP A 170 72.683 12.342 -3.645 1.00 25.00 N ATOM 1399 CA ASP A 170 73.671 13.430 -3.616 1.00 25.00 C ATOM 1400 C ASP A 170 73.162 14.642 -2.837 1.00 25.00 C ATOM 1401 O ASP A 170 71.948 14.883 -2.734 1.00 25.00 O ATOM 1402 CB ASP A 170 74.054 13.881 -5.027 1.00 25.00 C ATOM 1403 CG ASP A 170 75.341 13.241 -5.516 1.00 25.00 C ATOM 1404 OD1 ASP A 170 76.310 13.190 -4.730 1.00 25.00 O ATOM 1405 OD2 ASP A 170 75.435 12.907 -6.716 1.00 25.00 O1- ATOM 0 H ASP A 170 72.314 12.121 -4.570 1.00 25.00 H new ATOM 0 HA ASP A 170 74.549 13.025 -3.113 1.00 25.00 H new ATOM 0 HB2 ASP A 170 73.246 13.634 -5.715 1.00 25.00 H new ATOM 0 HB3 ASP A 170 74.164 14.965 -5.040 1.00 25.00 H new ATOM 1410 N VAL A 171 74.103 15.409 -2.297 1.00 25.00 N ATOM 1411 CA VAL A 171 73.787 16.581 -1.480 1.00 25.00 C ATOM 1412 C VAL A 171 74.273 17.867 -2.154 1.00 25.00 C ATOM 1413 O VAL A 171 75.434 17.982 -2.558 1.00 25.00 O ATOM 1414 CB VAL A 171 74.428 16.467 -0.059 1.00 25.00 C ATOM 1415 CG1 VAL A 171 73.996 17.650 0.837 1.00 25.00 C ATOM 1416 CG2 VAL A 171 74.022 15.139 0.612 1.00 25.00 C ATOM 0 H VAL A 171 75.102 15.239 -2.411 1.00 25.00 H new ATOM 0 HA VAL A 171 72.703 16.620 -1.377 1.00 25.00 H new ATOM 0 HB VAL A 171 75.511 16.493 -0.179 1.00 25.00 H new ATOM 0 HG11 VAL A 171 74.455 17.548 1.820 1.00 25.00 H new ATOM 0 HG12 VAL A 171 74.317 18.587 0.382 1.00 25.00 H new ATOM 0 HG13 VAL A 171 72.911 17.650 0.941 1.00 25.00 H new ATOM 0 HG21 VAL A 171 74.477 15.077 1.600 1.00 25.00 H new ATOM 0 HG22 VAL A 171 72.937 15.097 0.709 1.00 25.00 H new ATOM 0 HG23 VAL A 171 74.364 14.303 0.002 1.00 25.00 H new ATOM 1426 N VAL A 172 73.373 18.832 -2.256 1.00 25.00 N ATOM 1427 CA VAL A 172 73.657 20.143 -2.836 1.00 25.00 C ATOM 1428 C VAL A 172 73.642 21.154 -1.691 1.00 25.00 C ATOM 1429 O VAL A 172 72.840 21.027 -0.773 1.00 25.00 O ATOM 1430 CB VAL A 172 72.569 20.516 -3.887 1.00 25.00 C ATOM 1431 CG1 VAL A 172 72.881 21.856 -4.550 1.00 25.00 C ATOM 1432 CG2 VAL A 172 72.474 19.423 -4.959 1.00 25.00 C ATOM 0 H VAL A 172 72.410 18.729 -1.935 1.00 25.00 H new ATOM 0 HA VAL A 172 74.623 20.139 -3.341 1.00 25.00 H new ATOM 0 HB VAL A 172 71.615 20.601 -3.367 1.00 25.00 H new ATOM 0 HG11 VAL A 172 72.105 22.091 -5.279 1.00 25.00 H new ATOM 0 HG12 VAL A 172 72.915 22.638 -3.791 1.00 25.00 H new ATOM 0 HG13 VAL A 172 73.846 21.797 -5.054 1.00 25.00 H new ATOM 0 HG21 VAL A 172 71.711 19.694 -5.688 1.00 25.00 H new ATOM 0 HG22 VAL A 172 73.436 19.321 -5.461 1.00 25.00 H new ATOM 0 HG23 VAL A 172 72.208 18.476 -4.490 1.00 25.00 H new ATOM 1442 N ILE A 173 74.524 22.141 -1.724 1.00 25.00 N ATOM 1443 CA ILE A 173 74.607 23.137 -0.659 1.00 25.00 C ATOM 1444 C ILE A 173 74.270 24.514 -1.226 1.00 25.00 C ATOM 1445 O ILE A 173 74.883 24.980 -2.186 1.00 25.00 O ATOM 1446 CB ILE A 173 76.019 23.159 0.006 1.00 25.00 C ATOM 1447 CG1 ILE A 173 76.408 21.736 0.475 1.00 25.00 C ATOM 1448 CG2 ILE A 173 76.026 24.135 1.221 1.00 25.00 C ATOM 1449 CD1 ILE A 173 77.848 21.606 1.002 1.00 25.00 C ATOM 0 H ILE A 173 75.196 22.277 -2.479 1.00 25.00 H new ATOM 0 HA ILE A 173 73.888 22.869 0.115 1.00 25.00 H new ATOM 0 HB ILE A 173 76.746 23.503 -0.730 1.00 25.00 H new ATOM 0 HG12 ILE A 173 75.718 21.425 1.260 1.00 25.00 H new ATOM 0 HG13 ILE A 173 76.276 21.045 -0.357 1.00 25.00 H new ATOM 0 HG21 ILE A 173 77.016 24.142 1.677 1.00 25.00 H new ATOM 0 HG22 ILE A 173 75.776 25.140 0.882 1.00 25.00 H new ATOM 0 HG23 ILE A 173 75.291 23.807 1.956 1.00 25.00 H new ATOM 0 HD11 ILE A 173 78.032 20.576 1.308 1.00 25.00 H new ATOM 0 HD12 ILE A 173 78.550 21.882 0.215 1.00 25.00 H new ATOM 0 HD13 ILE A 173 77.984 22.268 1.857 1.00 25.00 H new ATOM 1461 N LEU A 174 73.281 25.151 -0.629 1.00 25.00 N ATOM 1462 CA LEU A 174 72.828 26.481 -1.016 1.00 25.00 C ATOM 1463 C LEU A 174 73.384 27.429 0.044 1.00 25.00 C ATOM 1464 O LEU A 174 73.383 27.094 1.216 1.00 25.00 O ATOM 1465 CB LEU A 174 71.299 26.491 -1.012 1.00 25.00 C ATOM 1466 CG LEU A 174 70.567 27.114 -2.208 1.00 25.00 C ATOM 1467 CD1 LEU A 174 69.082 26.810 -2.074 1.00 25.00 C ATOM 1468 CD2 LEU A 174 70.767 28.619 -2.276 1.00 25.00 C ATOM 0 H LEU A 174 72.758 24.755 0.152 1.00 25.00 H new ATOM 0 HA LEU A 174 73.164 26.776 -2.010 1.00 25.00 H new ATOM 0 HB2 LEU A 174 70.961 25.459 -0.918 1.00 25.00 H new ATOM 0 HB3 LEU A 174 70.973 27.016 -0.114 1.00 25.00 H new ATOM 0 HG LEU A 174 70.976 26.686 -3.123 1.00 25.00 H new ATOM 0 HD11 LEU A 174 68.544 27.245 -2.916 1.00 25.00 H new ATOM 0 HD12 LEU A 174 68.931 25.731 -2.066 1.00 25.00 H new ATOM 0 HD13 LEU A 174 68.706 27.236 -1.144 1.00 25.00 H new ATOM 0 HD21 LEU A 174 70.232 29.019 -3.137 1.00 25.00 H new ATOM 0 HD22 LEU A 174 70.383 29.079 -1.365 1.00 25.00 H new ATOM 0 HD23 LEU A 174 71.830 28.841 -2.374 1.00 25.00 H new ATOM 1480 N ARG A 175 73.929 28.569 -0.357 1.00 25.00 N ATOM 1481 CA ARG A 175 74.599 29.485 0.578 1.00 25.00 C ATOM 1482 C ARG A 175 74.208 30.934 0.336 1.00 25.00 C ATOM 1483 O ARG A 175 74.679 31.573 -0.605 1.00 25.00 O ATOM 1484 CB ARG A 175 76.119 29.350 0.406 1.00 25.00 C ATOM 1485 CG ARG A 175 76.651 27.967 0.771 1.00 25.00 C ATOM 1486 CD ARG A 175 78.102 27.768 0.341 1.00 25.00 C ATOM 1487 NE ARG A 175 79.036 28.634 1.083 1.00 25.00 N ATOM 1488 CZ ARG A 175 79.767 29.613 0.557 1.00 25.00 C ATOM 1489 NH1 ARG A 175 79.724 29.927 -0.714 1.00 25.00 N1+ ATOM 1490 NH2 ARG A 175 80.568 30.288 1.333 1.00 25.00 N ATOM 0 H ARG A 175 73.924 28.889 -1.325 1.00 25.00 H new ATOM 0 HA ARG A 175 74.291 29.215 1.588 1.00 25.00 H new ATOM 0 HB2 ARG A 175 76.381 29.570 -0.629 1.00 25.00 H new ATOM 0 HB3 ARG A 175 76.615 30.097 1.026 1.00 25.00 H new ATOM 0 HG2 ARG A 175 76.572 27.823 1.849 1.00 25.00 H new ATOM 0 HG3 ARG A 175 76.028 27.206 0.301 1.00 25.00 H new ATOM 0 HD2 ARG A 175 78.382 26.725 0.491 1.00 25.00 H new ATOM 0 HD3 ARG A 175 78.192 27.972 -0.726 1.00 25.00 H new ATOM 0 HE ARG A 175 79.130 28.468 2.085 1.00 25.00 H new ATOM 0 HH11 ARG A 175 79.111 29.412 -1.346 1.00 25.00 H new ATOM 0 HH12 ARG A 175 80.304 30.686 -1.072 1.00 25.00 H new ATOM 0 HH21 ARG A 175 80.627 30.062 2.326 1.00 25.00 H new ATOM 0 HH22 ARG A 175 81.136 31.042 0.947 1.00 25.00 H new ATOM 1504 N GLN A 176 73.387 31.495 1.224 1.00 25.00 N ATOM 1505 CA GLN A 176 72.993 32.907 1.105 1.00 25.00 C ATOM 1506 C GLN A 176 73.991 33.821 1.817 1.00 25.00 C ATOM 1507 O GLN A 176 74.034 34.005 3.021 1.00 25.00 O ATOM 1508 CB GLN A 176 71.532 33.173 1.528 1.00 25.00 C ATOM 1509 CG GLN A 176 71.079 34.546 0.978 1.00 25.00 C ATOM 1510 CD GLN A 176 69.621 34.791 1.255 1.00 25.00 C ATOM 1511 OE1 GLN A 176 69.127 34.712 2.354 1.00 25.00 O ATOM 1512 NE2 GLN A 176 68.876 35.083 0.212 1.00 25.00 N ATOM 1513 OXT GLN A 176 74.794 34.306 1.068 1.00 25.00 O ATOM 0 H GLN A 176 72.985 31.006 2.024 1.00 25.00 H new ATOM 0 HA GLN A 176 73.026 33.153 0.044 1.00 25.00 H new ATOM 0 HB2 GLN A 176 70.883 32.384 1.148 1.00 25.00 H new ATOM 0 HB3 GLN A 176 71.448 33.159 2.615 1.00 25.00 H new ATOM 0 HG2 GLN A 176 71.676 35.337 1.432 1.00 25.00 H new ATOM 0 HG3 GLN A 176 71.259 34.587 -0.096 1.00 25.00 H new ATOM 0 HE21 GLN A 176 69.298 35.149 -0.714 1.00 25.00 H new ATOM 0 HE22 GLN A 176 67.876 35.244 0.329 1.00 25.00 H new TER 1523 GLN A 176