USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 563 hydrogens (18 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 Single : A 1 KDH O02 : rot -82:sc= 0.0235 USER MOD Single : A 1 KDH O03 : rot -129:sc= -0.0244 USER MOD Single : A 1 KDH O1 : rot 0:sc= 0.0326 USER MOD Single : A 1 KDH O10 : rot 180:sc= 0 USER MOD Single : A 1 KDH O44 : rot -159:sc= 0.0068 USER MOD Single : A 1 KDH O47 : rot -120:sc= 0.0139 USER MOD Single : A 1 KDH O50 : rot -159:sc= 0.0109 USER MOD Single : A 1 KDH O7 : rot 103:sc= 0.183 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.405 F(o=-0.99,f=-0.41) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -171:sc= -4.14! (180deg=-4.58!) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 124 THR OG1 : rot 82:sc= 1 USER MOD Single : A 127 THR OG1 : rot 49:sc= 0.628 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 137 MET CE :methyl 151:sc= -4.63! (180deg=-6.76!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN :FLIP amide:sc= -1.66 F(o=-2.4!,f=-1.7) USER MOD Single : A 144 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.5!) USER MOD Single : A 150 TYR OH : rot 130:sc= -1.39 USER MOD Single : A 157 MET CE :methyl 147:sc= -0.116 (180deg=-1.47) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 13.280 8.046 2.563 1.00 2.87 N ATOM 2 CA MET A 90 13.114 7.010 1.502 1.00 2.20 C ATOM 3 C MET A 90 11.727 7.128 0.862 1.00 1.76 C ATOM 4 O MET A 90 11.558 7.762 -0.160 1.00 2.23 O ATOM 5 CB MET A 90 13.260 5.671 2.227 1.00 2.68 C ATOM 6 CG MET A 90 14.733 5.433 2.565 1.00 3.11 C ATOM 7 SD MET A 90 15.643 5.034 1.051 1.00 4.08 S ATOM 8 CE MET A 90 17.016 4.152 1.834 1.00 4.71 C ATOM 0 HA MET A 90 13.844 7.119 0.700 1.00 2.20 H new ATOM 0 HB2 MET A 90 12.662 5.671 3.138 1.00 2.68 H new ATOM 0 HB3 MET A 90 12.884 4.863 1.600 1.00 2.68 H new ATOM 0 HG2 MET A 90 15.158 6.321 3.034 1.00 3.11 H new ATOM 0 HG3 MET A 90 14.825 4.618 3.283 1.00 3.11 H new ATOM 0 HE1 MET A 90 17.713 3.811 1.069 1.00 4.71 H new ATOM 0 HE2 MET A 90 17.533 4.821 2.523 1.00 4.71 H new ATOM 0 HE3 MET A 90 16.631 3.293 2.383 1.00 4.71 H new ATOM 20 N GLY A 91 10.734 6.524 1.456 1.00 1.61 N ATOM 21 CA GLY A 91 9.362 6.606 0.880 1.00 1.31 C ATOM 22 C GLY A 91 8.726 5.215 0.864 1.00 1.37 C ATOM 23 O GLY A 91 9.115 4.354 0.101 1.00 1.61 O ATOM 0 H GLY A 91 10.813 5.978 2.314 1.00 1.61 H new ATOM 0 HA2 GLY A 91 8.750 7.289 1.469 1.00 1.31 H new ATOM 0 HA3 GLY A 91 9.405 7.008 -0.132 1.00 1.31 H new ATOM 27 N LYS A 92 7.749 4.988 1.699 1.00 1.27 N ATOM 28 CA LYS A 92 7.089 3.652 1.727 1.00 1.47 C ATOM 29 C LYS A 92 5.621 3.797 2.136 1.00 1.40 C ATOM 30 O LYS A 92 4.955 4.744 1.768 1.00 1.56 O ATOM 31 CB LYS A 92 7.860 2.849 2.774 1.00 1.61 C ATOM 32 CG LYS A 92 8.043 1.413 2.279 1.00 1.94 C ATOM 33 CD LYS A 92 9.534 1.087 2.200 1.00 2.31 C ATOM 34 CE LYS A 92 10.200 1.421 3.536 1.00 2.59 C ATOM 35 NZ LYS A 92 11.452 0.614 3.553 1.00 3.20 N ATOM 0 H LYS A 92 7.380 5.669 2.362 1.00 1.27 H new ATOM 0 HA LYS A 92 7.101 3.165 0.752 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.831 3.308 2.958 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.321 2.853 3.721 1.00 1.61 H new ATOM 0 HG2 LYS A 92 7.543 0.718 2.954 1.00 1.94 H new ATOM 0 HG3 LYS A 92 7.581 1.293 1.299 1.00 1.94 H new ATOM 0 HD2 LYS A 92 9.675 0.032 1.965 1.00 2.31 H new ATOM 0 HD3 LYS A 92 10.000 1.657 1.396 1.00 2.31 H new ATOM 0 HE2 LYS A 92 10.416 2.487 3.614 1.00 2.59 H new ATOM 0 HE3 LYS A 92 9.553 1.164 4.375 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 11.966 0.789 4.440 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 11.215 -0.396 3.484 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 12.051 0.885 2.747 1.00 3.20 H new ATOM 49 N SER A 93 5.112 2.865 2.894 1.00 1.38 N ATOM 50 CA SER A 93 3.688 2.951 3.324 1.00 1.40 C ATOM 51 C SER A 93 3.398 4.337 3.907 1.00 1.20 C ATOM 52 O SER A 93 4.286 5.151 4.068 1.00 1.08 O ATOM 53 CB SER A 93 3.530 1.874 4.396 1.00 1.60 C ATOM 54 OG SER A 93 2.537 0.943 3.984 1.00 2.20 O ATOM 0 H SER A 93 5.620 2.048 3.234 1.00 1.38 H new ATOM 0 HA SER A 93 2.996 2.802 2.495 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.479 1.363 4.557 1.00 1.60 H new ATOM 0 HB3 SER A 93 3.247 2.328 5.346 1.00 1.60 H new ATOM 0 HG SER A 93 2.434 0.250 4.669 1.00 2.20 H new ATOM 60 N GLU A 94 2.163 4.611 4.226 1.00 1.26 N ATOM 61 CA GLU A 94 1.821 5.944 4.799 1.00 1.17 C ATOM 62 C GLU A 94 2.605 6.179 6.094 1.00 1.12 C ATOM 63 O GLU A 94 2.685 7.285 6.591 1.00 1.09 O ATOM 64 CB GLU A 94 0.320 5.882 5.083 1.00 1.33 C ATOM 65 CG GLU A 94 -0.406 6.910 4.213 1.00 1.28 C ATOM 66 CD GLU A 94 -1.316 6.186 3.219 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.008 5.056 2.880 1.00 2.09 O ATOM 68 OE2 GLU A 94 -2.305 6.774 2.815 1.00 1.94 O ATOM 0 H GLU A 94 1.377 3.971 4.115 1.00 1.26 H new ATOM 0 HA GLU A 94 2.073 6.761 4.123 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.059 4.881 4.876 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.130 6.083 6.137 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.994 7.581 4.839 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.318 7.525 3.678 1.00 1.28 H new ATOM 75 N GLU A 95 3.185 5.147 6.642 1.00 1.19 N ATOM 76 CA GLU A 95 3.964 5.312 7.902 1.00 1.23 C ATOM 77 C GLU A 95 5.029 6.396 7.724 1.00 1.03 C ATOM 78 O GLU A 95 5.019 7.408 8.395 1.00 1.01 O ATOM 79 CB GLU A 95 4.622 3.953 8.143 1.00 1.45 C ATOM 80 CG GLU A 95 5.560 4.048 9.347 1.00 1.90 C ATOM 81 CD GLU A 95 5.223 2.938 10.344 1.00 2.12 C ATOM 82 OE1 GLU A 95 5.488 1.788 10.032 1.00 2.49 O ATOM 83 OE2 GLU A 95 4.704 3.255 11.401 1.00 2.66 O ATOM 0 H GLU A 95 3.153 4.197 6.272 1.00 1.19 H new ATOM 0 HA GLU A 95 3.335 5.615 8.739 1.00 1.23 H new ATOM 0 HB2 GLU A 95 3.860 3.194 8.321 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.179 3.644 7.258 1.00 1.45 H new ATOM 0 HG2 GLU A 95 6.597 3.957 9.022 1.00 1.90 H new ATOM 0 HG3 GLU A 95 5.459 5.023 9.824 1.00 1.90 H new ATOM 90 N GLU A 96 5.948 6.188 6.822 1.00 1.02 N ATOM 91 CA GLU A 96 7.016 7.202 6.597 1.00 0.94 C ATOM 92 C GLU A 96 6.567 8.219 5.545 1.00 0.79 C ATOM 93 O GLU A 96 7.151 9.275 5.400 1.00 0.82 O ATOM 94 CB GLU A 96 8.216 6.399 6.096 1.00 1.15 C ATOM 95 CG GLU A 96 9.089 5.995 7.286 1.00 1.62 C ATOM 96 CD GLU A 96 10.239 5.111 6.800 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.969 3.998 6.383 1.00 2.78 O ATOM 98 OE2 GLU A 96 11.371 5.563 6.855 1.00 2.18 O ATOM 0 H GLU A 96 6.005 5.359 6.231 1.00 1.02 H new ATOM 0 HA GLU A 96 7.251 7.767 7.499 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.876 5.512 5.562 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.796 6.993 5.390 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.483 6.883 7.779 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.491 5.459 8.024 1.00 1.62 H new ATOM 105 N LEU A 97 5.534 7.910 4.810 1.00 0.77 N ATOM 106 CA LEU A 97 5.049 8.861 3.770 1.00 0.71 C ATOM 107 C LEU A 97 4.623 10.181 4.420 1.00 0.67 C ATOM 108 O LEU A 97 4.704 11.234 3.819 1.00 0.75 O ATOM 109 CB LEU A 97 3.849 8.164 3.128 1.00 0.80 C ATOM 110 CG LEU A 97 4.040 8.107 1.612 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.936 9.518 1.031 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.420 7.525 1.295 1.00 1.22 C ATOM 0 H LEU A 97 5.005 7.041 4.885 1.00 0.77 H new ATOM 0 HA LEU A 97 5.819 9.103 3.037 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.743 7.156 3.530 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.932 8.701 3.369 1.00 0.80 H new ATOM 0 HG LEU A 97 3.268 7.476 1.171 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.072 9.477 -0.050 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.954 9.933 1.258 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.708 10.150 1.470 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.558 7.484 0.215 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.191 8.157 1.735 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.495 6.519 1.709 1.00 1.22 H new ATOM 124 N SER A 98 4.170 10.131 5.643 1.00 0.69 N ATOM 125 CA SER A 98 3.738 11.382 6.331 1.00 0.76 C ATOM 126 C SER A 98 4.956 12.234 6.696 1.00 0.72 C ATOM 127 O SER A 98 4.831 13.380 7.080 1.00 0.77 O ATOM 128 CB SER A 98 3.015 10.909 7.591 1.00 0.92 C ATOM 129 OG SER A 98 1.964 11.817 7.899 1.00 1.57 O ATOM 0 H SER A 98 4.080 9.279 6.196 1.00 0.69 H new ATOM 0 HA SER A 98 3.098 12.000 5.702 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.613 9.907 7.439 1.00 0.92 H new ATOM 0 HB3 SER A 98 3.715 10.848 8.425 1.00 0.92 H new ATOM 0 HG SER A 98 1.497 11.515 8.706 1.00 1.57 H new ATOM 135 N ASP A 99 6.134 11.684 6.581 1.00 0.80 N ATOM 136 CA ASP A 99 7.358 12.465 6.921 1.00 0.86 C ATOM 137 C ASP A 99 7.944 13.107 5.660 1.00 0.81 C ATOM 138 O ASP A 99 8.534 14.168 5.709 1.00 0.91 O ATOM 139 CB ASP A 99 8.331 11.441 7.506 1.00 1.02 C ATOM 140 CG ASP A 99 9.166 12.100 8.606 1.00 1.23 C ATOM 141 OD1 ASP A 99 10.042 12.880 8.271 1.00 1.83 O ATOM 142 OD2 ASP A 99 8.916 11.813 9.765 1.00 1.79 O ATOM 0 H ASP A 99 6.302 10.728 6.267 1.00 0.80 H new ATOM 0 HA ASP A 99 7.151 13.275 7.620 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.781 10.592 7.912 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.983 11.054 6.723 1.00 1.02 H new ATOM 147 N LEU A 100 7.785 12.472 4.531 1.00 0.75 N ATOM 148 CA LEU A 100 8.331 13.050 3.270 1.00 0.76 C ATOM 149 C LEU A 100 7.515 14.277 2.856 1.00 0.68 C ATOM 150 O LEU A 100 7.975 15.119 2.110 1.00 0.79 O ATOM 151 CB LEU A 100 8.191 11.936 2.231 1.00 0.86 C ATOM 152 CG LEU A 100 9.470 11.097 2.209 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.110 9.620 2.043 1.00 1.41 C ATOM 154 CD2 LEU A 100 10.349 11.539 1.038 1.00 1.41 C ATOM 0 H LEU A 100 7.302 11.580 4.427 1.00 0.75 H new ATOM 0 HA LEU A 100 9.365 13.378 3.378 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.334 11.306 2.470 1.00 0.86 H new ATOM 0 HB3 LEU A 100 8.007 12.364 1.246 1.00 0.86 H new ATOM 0 HG LEU A 100 10.011 11.237 3.145 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.022 9.023 2.027 1.00 1.41 H new ATOM 0 HD12 LEU A 100 8.483 9.303 2.876 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.569 9.480 1.107 1.00 1.41 H new ATOM 0 HD21 LEU A 100 11.261 10.942 1.022 1.00 1.41 H new ATOM 0 HD22 LEU A 100 9.807 11.399 0.103 1.00 1.41 H new ATOM 0 HD23 LEU A 100 10.607 12.592 1.154 1.00 1.41 H new ATOM 166 N PHE A 101 6.306 14.386 3.337 1.00 0.60 N ATOM 167 CA PHE A 101 5.459 15.559 2.975 1.00 0.59 C ATOM 168 C PHE A 101 5.942 16.807 3.722 1.00 0.60 C ATOM 169 O PHE A 101 6.128 17.858 3.141 1.00 0.72 O ATOM 170 CB PHE A 101 4.049 15.177 3.426 1.00 0.61 C ATOM 171 CG PHE A 101 3.033 15.997 2.667 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.949 17.378 2.880 1.00 0.68 C ATOM 173 CD2 PHE A 101 2.175 15.375 1.753 1.00 0.86 C ATOM 174 CE1 PHE A 101 2.005 18.138 2.178 1.00 0.73 C ATOM 175 CE2 PHE A 101 1.231 16.135 1.052 1.00 0.90 C ATOM 176 CZ PHE A 101 1.146 17.516 1.264 1.00 0.69 C ATOM 0 H PHE A 101 5.868 13.713 3.966 1.00 0.60 H new ATOM 0 HA PHE A 101 5.500 15.790 1.910 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.876 14.115 3.252 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.941 15.347 4.497 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.612 17.857 3.585 1.00 0.68 H new ATOM 0 HD2 PHE A 101 2.241 14.310 1.589 1.00 0.86 H new ATOM 0 HE1 PHE A 101 1.940 19.204 2.342 1.00 0.73 H new ATOM 0 HE2 PHE A 101 0.568 15.655 0.347 1.00 0.90 H new ATOM 0 HZ PHE A 101 0.418 18.102 0.723 1.00 0.69 H new ATOM 186 N ARG A 102 6.145 16.695 5.006 1.00 0.67 N ATOM 187 CA ARG A 102 6.615 17.870 5.797 1.00 0.76 C ATOM 188 C ARG A 102 8.064 18.212 5.439 1.00 0.68 C ATOM 189 O ARG A 102 8.588 19.231 5.843 1.00 0.78 O ATOM 190 CB ARG A 102 6.519 17.427 7.258 1.00 0.99 C ATOM 191 CG ARG A 102 7.196 16.064 7.422 1.00 1.30 C ATOM 192 CD ARG A 102 7.794 15.953 8.825 1.00 1.45 C ATOM 193 NE ARG A 102 6.621 15.980 9.743 1.00 2.12 N ATOM 194 CZ ARG A 102 6.710 15.465 10.941 1.00 2.71 C ATOM 195 NH1 ARG A 102 7.833 14.938 11.351 1.00 3.07 N ATOM 196 NH2 ARG A 102 5.674 15.482 11.733 1.00 3.37 N ATOM 0 H ARG A 102 6.006 15.839 5.543 1.00 0.67 H new ATOM 0 HA ARG A 102 6.021 18.762 5.597 1.00 0.76 H new ATOM 0 HB2 ARG A 102 6.997 18.163 7.905 1.00 0.99 H new ATOM 0 HB3 ARG A 102 5.474 17.365 7.563 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.472 15.265 7.260 1.00 1.30 H new ATOM 0 HG3 ARG A 102 7.978 15.942 6.672 1.00 1.30 H new ATOM 0 HD2 ARG A 102 8.365 15.031 8.940 1.00 1.45 H new ATOM 0 HD3 ARG A 102 8.476 16.778 9.031 1.00 1.45 H new ATOM 0 HE ARG A 102 5.745 16.402 9.435 1.00 2.12 H new ATOM 0 HH11 ARG A 102 8.646 14.927 10.735 1.00 3.07 H new ATOM 0 HH12 ARG A 102 7.897 14.538 12.287 1.00 3.07 H new ATOM 0 HH21 ARG A 102 4.797 15.896 11.417 1.00 3.37 H new ATOM 0 HH22 ARG A 102 5.741 15.081 12.668 1.00 3.37 H new ATOM 210 N MET A 103 8.716 17.367 4.689 1.00 0.71 N ATOM 211 CA MET A 103 10.133 17.645 4.314 1.00 0.75 C ATOM 212 C MET A 103 10.194 18.457 3.017 1.00 0.68 C ATOM 213 O MET A 103 10.930 19.418 2.910 1.00 0.83 O ATOM 214 CB MET A 103 10.765 16.268 4.113 1.00 0.93 C ATOM 215 CG MET A 103 12.053 16.174 4.933 1.00 1.27 C ATOM 216 SD MET A 103 12.135 14.560 5.745 1.00 1.82 S ATOM 217 CE MET A 103 12.962 13.674 4.402 1.00 2.43 C ATOM 0 H MET A 103 8.331 16.498 4.320 1.00 0.71 H new ATOM 0 HA MET A 103 10.652 18.228 5.075 1.00 0.75 H new ATOM 0 HB2 MET A 103 10.068 15.488 4.420 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.981 16.106 3.057 1.00 0.93 H new ATOM 0 HG2 MET A 103 12.919 16.312 4.286 1.00 1.27 H new ATOM 0 HG3 MET A 103 12.081 16.969 5.678 1.00 1.27 H new ATOM 0 HE1 MET A 103 13.116 12.635 4.693 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.343 13.712 3.506 1.00 2.43 H new ATOM 0 HE3 MET A 103 13.926 14.141 4.198 1.00 2.43 H new ATOM 227 N PHE A 104 9.431 18.078 2.030 1.00 0.68 N ATOM 228 CA PHE A 104 9.453 18.829 0.742 1.00 0.79 C ATOM 229 C PHE A 104 8.792 20.199 0.913 1.00 0.71 C ATOM 230 O PHE A 104 9.342 21.215 0.537 1.00 0.88 O ATOM 231 CB PHE A 104 8.656 17.962 -0.234 1.00 0.94 C ATOM 232 CG PHE A 104 9.331 16.618 -0.375 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.727 16.541 -0.465 1.00 1.26 C ATOM 234 CD2 PHE A 104 8.562 15.448 -0.413 1.00 2.03 C ATOM 235 CE1 PHE A 104 11.353 15.295 -0.593 1.00 1.86 C ATOM 236 CE2 PHE A 104 9.189 14.203 -0.541 1.00 2.65 C ATOM 237 CZ PHE A 104 10.584 14.126 -0.631 1.00 2.56 C ATOM 0 H PHE A 104 8.794 17.282 2.058 1.00 0.68 H new ATOM 0 HA PHE A 104 10.467 19.013 0.388 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.635 17.833 0.126 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.592 18.453 -1.205 1.00 0.94 H new ATOM 0 HD1 PHE A 104 11.320 17.443 -0.436 1.00 1.26 H new ATOM 0 HD2 PHE A 104 7.486 15.506 -0.344 1.00 2.03 H new ATOM 0 HE1 PHE A 104 12.429 15.236 -0.662 1.00 1.86 H new ATOM 0 HE2 PHE A 104 8.596 13.301 -0.570 1.00 2.65 H new ATOM 0 HZ PHE A 104 11.067 13.165 -0.730 1.00 2.56 H new ATOM 247 N ASP A 105 7.618 20.236 1.479 1.00 0.61 N ATOM 248 CA ASP A 105 6.926 21.543 1.673 1.00 0.60 C ATOM 249 C ASP A 105 7.861 22.540 2.363 1.00 0.56 C ATOM 250 O ASP A 105 7.931 22.603 3.574 1.00 0.63 O ATOM 251 CB ASP A 105 5.727 21.229 2.568 1.00 0.68 C ATOM 252 CG ASP A 105 4.978 22.523 2.892 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.976 23.409 2.053 1.00 0.84 O ATOM 254 OD2 ASP A 105 4.418 22.606 3.973 1.00 1.45 O ATOM 0 H ASP A 105 7.107 19.420 1.816 1.00 0.61 H new ATOM 0 HA ASP A 105 6.623 21.992 0.727 1.00 0.60 H new ATOM 0 HB2 ASP A 105 5.061 20.526 2.068 1.00 0.68 H new ATOM 0 HB3 ASP A 105 6.062 20.750 3.488 1.00 0.68 H new ATOM 259 N LYS A 106 8.579 23.321 1.603 1.00 0.59 N ATOM 260 CA LYS A 106 9.507 24.311 2.221 1.00 0.66 C ATOM 261 C LYS A 106 8.710 25.440 2.883 1.00 0.55 C ATOM 262 O LYS A 106 9.205 26.137 3.746 1.00 0.63 O ATOM 263 CB LYS A 106 10.345 24.851 1.060 1.00 0.87 C ATOM 264 CG LYS A 106 11.032 26.150 1.488 1.00 1.21 C ATOM 265 CD LYS A 106 12.157 26.483 0.507 1.00 1.61 C ATOM 266 CE LYS A 106 12.790 27.822 0.893 1.00 1.77 C ATOM 267 NZ LYS A 106 14.255 27.617 0.728 1.00 2.14 N ATOM 0 H LYS A 106 8.564 23.317 0.583 1.00 0.59 H new ATOM 0 HA LYS A 106 10.130 23.865 2.997 1.00 0.66 H new ATOM 0 HB2 LYS A 106 11.091 24.114 0.762 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.710 25.031 0.192 1.00 0.87 H new ATOM 0 HG2 LYS A 106 10.308 26.964 1.516 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.434 26.046 2.496 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.910 25.695 0.520 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.765 26.533 -0.509 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.430 28.628 0.254 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.543 28.094 1.919 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 14.758 28.493 0.975 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.571 26.849 1.354 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 14.461 27.366 -0.260 1.00 2.14 H new ATOM 281 N ASN A 107 7.481 25.626 2.486 1.00 0.48 N ATOM 282 CA ASN A 107 6.659 26.711 3.097 1.00 0.50 C ATOM 283 C ASN A 107 6.224 26.312 4.510 1.00 0.58 C ATOM 284 O ASN A 107 5.753 27.128 5.278 1.00 0.70 O ATOM 285 CB ASN A 107 5.444 26.856 2.181 1.00 0.54 C ATOM 286 CG ASN A 107 4.745 28.185 2.472 1.00 0.70 C ATOM 287 OD1 ASN A 107 3.463 28.195 2.711 1.00 1.00 O flip ATOM 288 ND2 ASN A 107 5.373 29.226 2.483 1.00 0.78 N flip ATOM 0 H ASN A 107 7.011 25.076 1.767 1.00 0.48 H new ATOM 0 HA ASN A 107 7.212 27.646 3.187 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.755 26.817 1.137 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.754 26.027 2.339 1.00 0.54 H new ATOM 0 HD21 ASN A 107 6.376 29.219 2.296 1.00 0.78 H new ATOM 0 HD22 ASN A 107 4.897 30.107 2.679 1.00 0.78 H new ATOM 295 N ALA A 108 6.379 25.064 4.858 1.00 0.65 N ATOM 296 CA ALA A 108 5.976 24.613 6.222 1.00 0.84 C ATOM 297 C ALA A 108 4.560 25.096 6.545 1.00 0.78 C ATOM 298 O ALA A 108 4.327 25.736 7.551 1.00 0.96 O ATOM 299 CB ALA A 108 6.991 25.255 7.168 1.00 1.03 C ATOM 0 H ALA A 108 6.767 24.337 4.258 1.00 0.65 H new ATOM 0 HA ALA A 108 5.967 23.527 6.310 1.00 0.84 H new ATOM 0 HB1 ALA A 108 6.762 24.970 8.195 1.00 1.03 H new ATOM 0 HB2 ALA A 108 7.994 24.913 6.912 1.00 1.03 H new ATOM 0 HB3 ALA A 108 6.942 26.340 7.073 1.00 1.03 H new ATOM 305 N ASP A 109 3.611 24.794 5.701 1.00 0.73 N ATOM 306 CA ASP A 109 2.211 25.236 5.963 1.00 0.74 C ATOM 307 C ASP A 109 1.274 24.025 6.004 1.00 0.78 C ATOM 308 O ASP A 109 0.151 24.113 6.461 1.00 0.96 O ATOM 309 CB ASP A 109 1.858 26.152 4.791 1.00 0.72 C ATOM 310 CG ASP A 109 1.622 25.311 3.535 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.233 24.260 3.427 1.00 1.95 O ATOM 312 OD2 ASP A 109 0.835 25.731 2.703 1.00 1.66 O ATOM 0 H ASP A 109 3.744 24.261 4.842 1.00 0.73 H new ATOM 0 HA ASP A 109 2.110 25.746 6.921 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.965 26.732 5.026 1.00 0.72 H new ATOM 0 HB3 ASP A 109 2.664 26.865 4.618 1.00 0.72 H new ATOM 317 N GLY A 110 1.726 22.896 5.531 1.00 0.76 N ATOM 318 CA GLY A 110 0.862 21.681 5.544 1.00 0.85 C ATOM 319 C GLY A 110 0.559 21.252 4.107 1.00 0.70 C ATOM 320 O GLY A 110 0.206 20.118 3.850 1.00 0.73 O ATOM 0 H GLY A 110 2.657 22.762 5.136 1.00 0.76 H new ATOM 0 HA2 GLY A 110 1.362 20.873 6.078 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.067 21.888 6.076 1.00 0.85 H new ATOM 324 N TYR A 111 0.693 22.148 3.169 1.00 0.68 N ATOM 325 CA TYR A 111 0.410 21.788 1.750 1.00 0.60 C ATOM 326 C TYR A 111 1.613 22.132 0.867 1.00 0.58 C ATOM 327 O TYR A 111 2.565 22.743 1.310 1.00 0.83 O ATOM 328 CB TYR A 111 -0.802 22.633 1.363 1.00 0.68 C ATOM 329 CG TYR A 111 -1.941 22.336 2.307 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.842 21.305 2.014 1.00 0.78 C ATOM 331 CD2 TYR A 111 -2.096 23.090 3.476 1.00 0.71 C ATOM 332 CE1 TYR A 111 -3.898 21.028 2.890 1.00 0.83 C ATOM 333 CE2 TYR A 111 -3.152 22.813 4.353 1.00 0.78 C ATOM 334 CZ TYR A 111 -4.053 21.782 4.060 1.00 0.80 C ATOM 335 OH TYR A 111 -5.095 21.509 4.924 1.00 0.90 O ATOM 0 H TYR A 111 0.986 23.113 3.323 1.00 0.68 H new ATOM 0 HA TYR A 111 0.220 20.722 1.623 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.549 23.692 1.403 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.099 22.415 0.337 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.722 20.723 1.112 1.00 0.78 H new ATOM 0 HD2 TYR A 111 -1.401 23.885 3.702 1.00 0.71 H new ATOM 0 HE1 TYR A 111 -4.593 20.233 2.664 1.00 0.83 H new ATOM 0 HE2 TYR A 111 -3.271 23.394 5.255 1.00 0.78 H new ATOM 0 HH TYR A 111 -5.057 22.123 5.687 1.00 0.90 H new ATOM 345 N ILE A 112 1.576 21.745 -0.379 1.00 0.50 N ATOM 346 CA ILE A 112 2.718 22.049 -1.289 1.00 0.50 C ATOM 347 C ILE A 112 2.220 22.779 -2.539 1.00 0.49 C ATOM 348 O ILE A 112 1.214 22.422 -3.119 1.00 0.66 O ATOM 349 CB ILE A 112 3.302 20.684 -1.658 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.133 20.154 -0.488 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.197 20.822 -2.891 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.461 18.678 -0.722 1.00 0.66 C ATOM 0 H ILE A 112 0.805 21.232 -0.806 1.00 0.50 H new ATOM 0 HA ILE A 112 3.460 22.696 -0.821 1.00 0.50 H new ATOM 0 HB ILE A 112 2.489 19.991 -1.876 1.00 0.50 H new ATOM 0 HG12 ILE A 112 5.053 20.731 -0.391 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.583 20.272 0.445 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.611 19.848 -3.151 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.609 21.201 -3.727 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.009 21.516 -2.675 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.053 18.300 0.112 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.536 18.107 -0.798 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.028 18.574 -1.647 1.00 0.66 H new ATOM 364 N ASP A 113 2.917 23.800 -2.957 1.00 0.47 N ATOM 365 CA ASP A 113 2.485 24.553 -4.169 1.00 0.50 C ATOM 366 C ASP A 113 3.408 24.230 -5.348 1.00 0.50 C ATOM 367 O ASP A 113 4.422 23.580 -5.193 1.00 0.57 O ATOM 368 CB ASP A 113 2.603 26.027 -3.780 1.00 0.60 C ATOM 369 CG ASP A 113 1.205 26.637 -3.658 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.251 25.878 -3.610 1.00 1.85 O ATOM 371 OD2 ASP A 113 1.113 27.853 -3.616 1.00 1.77 O ATOM 0 H ASP A 113 3.767 24.146 -2.512 1.00 0.47 H new ATOM 0 HA ASP A 113 1.473 24.294 -4.480 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.137 26.123 -2.834 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.182 26.566 -4.529 1.00 0.60 H new ATOM 376 N LEU A 114 3.065 24.678 -6.525 1.00 0.52 N ATOM 377 CA LEU A 114 3.927 24.393 -7.709 1.00 0.57 C ATOM 378 C LEU A 114 5.308 25.026 -7.522 1.00 0.63 C ATOM 379 O LEU A 114 6.304 24.512 -7.989 1.00 0.80 O ATOM 380 CB LEU A 114 3.200 25.032 -8.893 1.00 0.62 C ATOM 381 CG LEU A 114 1.961 24.204 -9.236 1.00 0.61 C ATOM 382 CD1 LEU A 114 0.706 25.054 -9.033 1.00 0.91 C ATOM 383 CD2 LEU A 114 2.042 23.751 -10.696 1.00 0.81 C ATOM 0 H LEU A 114 2.228 25.228 -6.718 1.00 0.52 H new ATOM 0 HA LEU A 114 4.085 23.325 -7.857 1.00 0.57 H new ATOM 0 HB2 LEU A 114 2.911 26.054 -8.648 1.00 0.62 H new ATOM 0 HB3 LEU A 114 3.864 25.087 -9.755 1.00 0.62 H new ATOM 0 HG LEU A 114 1.915 23.331 -8.586 1.00 0.61 H new ATOM 0 HD11 LEU A 114 -0.177 24.463 -9.278 1.00 0.91 H new ATOM 0 HD12 LEU A 114 0.650 25.377 -7.994 1.00 0.91 H new ATOM 0 HD13 LEU A 114 0.749 25.928 -9.683 1.00 0.91 H new ATOM 0 HD21 LEU A 114 1.160 23.160 -10.943 1.00 0.81 H new ATOM 0 HD22 LEU A 114 2.088 24.625 -11.346 1.00 0.81 H new ATOM 0 HD23 LEU A 114 2.936 23.145 -10.840 1.00 0.81 H new ATOM 395 N ASP A 115 5.375 26.137 -6.841 1.00 0.61 N ATOM 396 CA ASP A 115 6.693 26.800 -6.625 1.00 0.71 C ATOM 397 C ASP A 115 7.487 26.054 -5.549 1.00 0.65 C ATOM 398 O ASP A 115 8.695 26.161 -5.470 1.00 0.89 O ATOM 399 CB ASP A 115 6.354 28.216 -6.158 1.00 0.80 C ATOM 400 CG ASP A 115 5.415 28.878 -7.168 1.00 1.17 C ATOM 401 OD1 ASP A 115 5.712 28.819 -8.350 1.00 1.76 O ATOM 402 OD2 ASP A 115 4.416 29.435 -6.742 1.00 1.76 O ATOM 0 H ASP A 115 4.575 26.614 -6.425 1.00 0.61 H new ATOM 0 HA ASP A 115 7.306 26.806 -7.526 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.883 28.183 -5.176 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.266 28.804 -6.054 1.00 0.80 H new ATOM 407 N GLU A 116 6.819 25.300 -4.720 1.00 0.51 N ATOM 408 CA GLU A 116 7.538 24.550 -3.651 1.00 0.48 C ATOM 409 C GLU A 116 8.072 23.224 -4.202 1.00 0.49 C ATOM 410 O GLU A 116 9.189 22.834 -3.927 1.00 0.63 O ATOM 411 CB GLU A 116 6.490 24.301 -2.565 1.00 0.48 C ATOM 412 CG GLU A 116 5.701 25.589 -2.313 1.00 0.57 C ATOM 413 CD GLU A 116 4.922 25.463 -1.003 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.202 24.540 -0.256 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.057 26.291 -0.769 1.00 1.19 O ATOM 0 H GLU A 116 5.807 25.171 -4.736 1.00 0.51 H new ATOM 0 HA GLU A 116 8.397 25.101 -3.266 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.815 23.502 -2.872 1.00 0.48 H new ATOM 0 HB3 GLU A 116 6.974 23.973 -1.645 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.380 26.440 -2.264 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.015 25.775 -3.140 1.00 0.57 H new ATOM 422 N LEU A 117 7.287 22.531 -4.983 1.00 0.48 N ATOM 423 CA LEU A 117 7.765 21.236 -5.550 1.00 0.52 C ATOM 424 C LEU A 117 9.033 21.473 -6.372 1.00 0.58 C ATOM 425 O LEU A 117 9.817 20.573 -6.602 1.00 0.69 O ATOM 426 CB LEU A 117 6.630 20.742 -6.450 1.00 0.55 C ATOM 427 CG LEU A 117 5.337 20.629 -5.640 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.138 20.861 -6.562 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.240 19.231 -5.024 1.00 0.53 C ATOM 0 H LEU A 117 6.341 22.803 -5.252 1.00 0.48 H new ATOM 0 HA LEU A 117 8.007 20.509 -4.775 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.489 21.430 -7.283 1.00 0.55 H new ATOM 0 HB3 LEU A 117 6.888 19.773 -6.877 1.00 0.55 H new ATOM 0 HG LEU A 117 5.339 21.377 -4.847 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.216 20.781 -5.987 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.205 21.855 -7.003 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.138 20.112 -7.354 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.319 19.151 -4.447 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.238 18.483 -5.817 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.094 19.062 -4.369 1.00 0.53 H new ATOM 441 N LYS A 118 9.237 22.683 -6.815 1.00 0.59 N ATOM 442 CA LYS A 118 10.451 22.991 -7.621 1.00 0.69 C ATOM 443 C LYS A 118 11.667 23.131 -6.702 1.00 0.64 C ATOM 444 O LYS A 118 12.794 22.945 -7.116 1.00 0.73 O ATOM 445 CB LYS A 118 10.136 24.322 -8.309 1.00 0.83 C ATOM 446 CG LYS A 118 11.434 24.968 -8.799 1.00 0.99 C ATOM 447 CD LYS A 118 11.117 25.986 -9.895 1.00 1.35 C ATOM 448 CE LYS A 118 11.998 27.223 -9.710 1.00 1.51 C ATOM 449 NZ LYS A 118 11.191 28.354 -10.246 1.00 1.99 N ATOM 0 H LYS A 118 8.613 23.474 -6.653 1.00 0.59 H new ATOM 0 HA LYS A 118 10.686 22.207 -8.341 1.00 0.69 H new ATOM 0 HB2 LYS A 118 9.460 24.158 -9.149 1.00 0.83 H new ATOM 0 HB3 LYS A 118 9.625 24.990 -7.615 1.00 0.83 H new ATOM 0 HG2 LYS A 118 11.944 25.458 -7.970 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.110 24.204 -9.182 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.291 25.546 -10.877 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.064 26.266 -9.853 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.246 27.378 -8.660 1.00 1.51 H new ATOM 0 HE3 LYS A 118 12.940 27.121 -10.248 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 11.729 29.239 -10.154 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 10.976 28.182 -11.249 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 10.303 28.432 -9.710 1.00 1.99 H new ATOM 463 N ILE A 119 11.448 23.460 -5.458 1.00 0.68 N ATOM 464 CA ILE A 119 12.594 23.615 -4.516 1.00 0.74 C ATOM 465 C ILE A 119 12.779 22.341 -3.684 1.00 0.75 C ATOM 466 O ILE A 119 13.887 21.939 -3.392 1.00 0.85 O ATOM 467 CB ILE A 119 12.217 24.799 -3.623 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.464 26.106 -4.382 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.073 24.782 -2.354 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.154 26.887 -4.497 1.00 1.06 C ATOM 0 H ILE A 119 10.527 23.628 -5.053 1.00 0.68 H new ATOM 0 HA ILE A 119 13.536 23.785 -5.037 1.00 0.74 H new ATOM 0 HB ILE A 119 11.164 24.724 -3.351 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.212 26.705 -3.862 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.860 25.893 -5.375 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.802 25.627 -1.721 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.901 23.852 -1.812 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.126 24.855 -2.625 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.331 27.817 -5.037 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.420 26.288 -5.036 1.00 1.06 H new ATOM 0 HD13 ILE A 119 10.776 27.113 -3.500 1.00 1.06 H new ATOM 482 N MET A 120 11.710 21.701 -3.297 1.00 0.85 N ATOM 483 CA MET A 120 11.854 20.457 -2.487 1.00 1.01 C ATOM 484 C MET A 120 12.756 19.461 -3.225 1.00 0.95 C ATOM 485 O MET A 120 13.433 18.653 -2.621 1.00 1.11 O ATOM 486 CB MET A 120 10.431 19.908 -2.333 1.00 1.17 C ATOM 487 CG MET A 120 10.016 19.151 -3.598 1.00 1.52 C ATOM 488 SD MET A 120 10.374 17.389 -3.389 1.00 1.88 S ATOM 489 CE MET A 120 8.660 16.808 -3.383 1.00 1.43 C ATOM 0 H MET A 120 10.751 21.981 -3.504 1.00 0.85 H new ATOM 0 HA MET A 120 12.313 20.640 -1.515 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.381 19.244 -1.470 1.00 1.17 H new ATOM 0 HB3 MET A 120 9.736 20.727 -2.146 1.00 1.17 H new ATOM 0 HG2 MET A 120 8.953 19.297 -3.790 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.553 19.542 -4.462 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.634 15.755 -3.104 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.082 17.388 -2.664 1.00 1.43 H new ATOM 0 HE3 MET A 120 8.231 16.931 -4.377 1.00 1.43 H new ATOM 499 N LEU A 121 12.770 19.520 -4.530 1.00 0.87 N ATOM 500 CA LEU A 121 13.628 18.586 -5.315 1.00 0.95 C ATOM 501 C LEU A 121 15.014 19.199 -5.541 1.00 0.87 C ATOM 502 O LEU A 121 15.989 18.498 -5.725 1.00 0.97 O ATOM 503 CB LEU A 121 12.901 18.409 -6.647 1.00 1.09 C ATOM 504 CG LEU A 121 12.663 16.921 -6.903 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.626 16.392 -5.912 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.149 16.728 -8.331 1.00 1.80 C ATOM 0 H LEU A 121 12.223 20.176 -5.087 1.00 0.87 H new ATOM 0 HA LEU A 121 13.781 17.637 -4.801 1.00 0.95 H new ATOM 0 HB2 LEU A 121 11.951 18.942 -6.629 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.492 18.838 -7.456 1.00 1.09 H new ATOM 0 HG LEU A 121 13.598 16.375 -6.775 1.00 1.41 H new ATOM 0 HD11 LEU A 121 11.456 15.331 -6.095 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.991 16.531 -4.894 1.00 2.03 H new ATOM 0 HD13 LEU A 121 10.690 16.936 -6.039 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.978 15.667 -8.516 1.00 1.80 H new ATOM 0 HD22 LEU A 121 11.214 17.273 -8.458 1.00 1.80 H new ATOM 0 HD23 LEU A 121 12.888 17.105 -9.038 1.00 1.80 H new ATOM 518 N GLN A 122 15.107 20.503 -5.535 1.00 0.82 N ATOM 519 CA GLN A 122 16.431 21.156 -5.757 1.00 0.95 C ATOM 520 C GLN A 122 17.510 20.454 -4.929 1.00 1.04 C ATOM 521 O GLN A 122 18.602 20.208 -5.400 1.00 1.19 O ATOM 522 CB GLN A 122 16.250 22.601 -5.291 1.00 1.14 C ATOM 523 CG GLN A 122 15.861 23.478 -6.484 1.00 1.42 C ATOM 524 CD GLN A 122 17.121 24.095 -7.096 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.135 23.438 -7.218 1.00 2.44 O ATOM 526 NE2 GLN A 122 17.098 25.340 -7.488 1.00 2.28 N ATOM 0 H GLN A 122 14.326 21.142 -5.386 1.00 0.82 H new ATOM 0 HA GLN A 122 16.746 21.105 -6.799 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.479 22.652 -4.522 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.173 22.968 -4.842 1.00 1.14 H new ATOM 0 HG2 GLN A 122 15.335 22.883 -7.231 1.00 1.42 H new ATOM 0 HG3 GLN A 122 15.177 24.264 -6.164 1.00 1.42 H new ATOM 0 HE21 GLN A 122 16.246 25.891 -7.385 1.00 2.28 H new ATOM 0 HE22 GLN A 122 17.932 25.761 -7.897 1.00 2.28 H new ATOM 535 N ALA A 123 17.213 20.124 -3.702 1.00 1.09 N ATOM 536 CA ALA A 123 18.226 19.432 -2.855 1.00 1.33 C ATOM 537 C ALA A 123 18.778 18.213 -3.599 1.00 1.38 C ATOM 538 O ALA A 123 19.858 17.734 -3.314 1.00 1.62 O ATOM 539 CB ALA A 123 17.467 18.999 -1.601 1.00 1.45 C ATOM 0 H ALA A 123 16.316 20.303 -3.250 1.00 1.09 H new ATOM 0 HA ALA A 123 19.074 20.072 -2.612 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.147 18.480 -0.925 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.059 19.877 -1.101 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.653 18.330 -1.881 1.00 1.45 H new ATOM 545 N THR A 124 18.044 17.712 -4.555 1.00 1.29 N ATOM 546 CA THR A 124 18.520 16.528 -5.324 1.00 1.47 C ATOM 547 C THR A 124 19.174 16.981 -6.631 1.00 1.44 C ATOM 548 O THR A 124 19.491 16.180 -7.488 1.00 1.72 O ATOM 549 CB THR A 124 17.258 15.710 -5.616 1.00 1.56 C ATOM 550 OG1 THR A 124 16.244 16.050 -4.681 1.00 2.16 O ATOM 551 CG2 THR A 124 17.576 14.219 -5.506 1.00 1.92 C ATOM 0 H THR A 124 17.133 18.073 -4.837 1.00 1.29 H new ATOM 0 HA THR A 124 19.263 15.950 -4.775 1.00 1.47 H new ATOM 0 HB THR A 124 16.910 15.932 -6.625 1.00 1.56 H new ATOM 0 HG1 THR A 124 15.790 16.868 -4.974 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.677 13.639 -5.714 1.00 1.92 H new ATOM 0 HG22 THR A 124 18.351 13.958 -6.227 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.927 13.995 -4.499 1.00 1.92 H new ATOM 559 N GLY A 125 19.372 18.260 -6.795 1.00 1.26 N ATOM 560 CA GLY A 125 19.998 18.761 -8.051 1.00 1.32 C ATOM 561 C GLY A 125 19.021 18.564 -9.209 1.00 1.26 C ATOM 562 O GLY A 125 19.414 18.373 -10.343 1.00 1.63 O ATOM 0 H GLY A 125 19.128 18.979 -6.114 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.253 19.816 -7.949 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.927 18.226 -8.248 1.00 1.32 H new ATOM 566 N GLU A 126 17.747 18.607 -8.930 1.00 1.02 N ATOM 567 CA GLU A 126 16.739 18.419 -10.012 1.00 1.08 C ATOM 568 C GLU A 126 16.961 19.440 -11.129 1.00 0.89 C ATOM 569 O GLU A 126 16.411 20.523 -11.112 1.00 0.87 O ATOM 570 CB GLU A 126 15.385 18.644 -9.337 1.00 1.34 C ATOM 571 CG GLU A 126 15.313 20.072 -8.790 1.00 1.45 C ATOM 572 CD GLU A 126 14.143 20.811 -9.443 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.151 20.164 -9.738 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.258 22.010 -9.637 1.00 2.16 O ATOM 0 H GLU A 126 17.360 18.764 -7.999 1.00 1.02 H new ATOM 0 HA GLU A 126 16.806 17.432 -10.470 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.579 18.477 -10.052 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.247 17.927 -8.528 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.186 20.052 -7.708 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.247 20.597 -8.991 1.00 1.45 H new ATOM 581 N THR A 127 17.753 19.100 -12.108 1.00 1.09 N ATOM 582 CA THR A 127 17.994 20.048 -13.229 1.00 1.21 C ATOM 583 C THR A 127 17.118 19.655 -14.417 1.00 1.29 C ATOM 584 O THR A 127 17.485 18.824 -15.225 1.00 1.60 O ATOM 585 CB THR A 127 19.475 19.889 -13.575 1.00 1.57 C ATOM 586 OG1 THR A 127 19.767 18.512 -13.774 1.00 1.91 O ATOM 587 CG2 THR A 127 20.330 20.433 -12.431 1.00 2.18 C ATOM 0 H THR A 127 18.243 18.208 -12.179 1.00 1.09 H new ATOM 0 HA THR A 127 17.753 21.079 -12.970 1.00 1.21 H new ATOM 0 HB THR A 127 19.697 20.444 -14.486 1.00 1.57 H new ATOM 0 HG1 THR A 127 19.100 18.120 -14.375 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.385 20.319 -12.679 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.105 21.489 -12.279 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.110 19.880 -11.518 1.00 2.18 H new ATOM 595 N ILE A 128 15.957 20.236 -14.521 1.00 1.08 N ATOM 596 CA ILE A 128 15.050 19.886 -15.648 1.00 1.20 C ATOM 597 C ILE A 128 14.413 21.149 -16.231 1.00 1.18 C ATOM 598 O ILE A 128 14.466 22.211 -15.644 1.00 1.15 O ATOM 599 CB ILE A 128 13.988 18.985 -15.019 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.085 19.822 -14.108 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.670 17.893 -14.193 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.062 18.913 -13.424 1.00 2.03 C ATOM 0 H ILE A 128 15.597 20.938 -13.875 1.00 1.08 H new ATOM 0 HA ILE A 128 15.573 19.395 -16.469 1.00 1.20 H new ATOM 0 HB ILE A 128 13.389 18.526 -15.805 1.00 1.12 H new ATOM 0 HG12 ILE A 128 13.685 20.339 -13.359 1.00 1.32 H new ATOM 0 HG13 ILE A 128 12.574 20.588 -14.691 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.913 17.250 -13.744 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.315 17.298 -14.839 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.269 18.352 -13.406 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.420 19.510 -12.776 1.00 2.03 H new ATOM 0 HD12 ILE A 128 11.453 18.417 -14.180 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.582 18.163 -12.828 1.00 2.03 H new ATOM 614 N THR A 129 13.806 21.040 -17.380 1.00 1.34 N ATOM 615 CA THR A 129 13.159 22.232 -17.998 1.00 1.42 C ATOM 616 C THR A 129 11.899 22.609 -17.212 1.00 1.16 C ATOM 617 O THR A 129 11.359 21.813 -16.470 1.00 0.97 O ATOM 618 CB THR A 129 12.799 21.791 -19.417 1.00 1.64 C ATOM 619 OG1 THR A 129 13.577 20.653 -19.767 1.00 2.23 O ATOM 620 CG2 THR A 129 13.085 22.931 -20.397 1.00 2.28 C ATOM 0 H THR A 129 13.730 20.177 -17.918 1.00 1.34 H new ATOM 0 HA THR A 129 13.808 23.108 -17.998 1.00 1.42 H new ATOM 0 HB THR A 129 11.740 21.536 -19.462 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.347 20.367 -20.676 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.828 22.615 -21.408 1.00 2.28 H new ATOM 0 HG22 THR A 129 12.488 23.802 -20.126 1.00 2.28 H new ATOM 0 HG23 THR A 129 14.143 23.189 -20.356 1.00 2.28 H new ATOM 628 N GLU A 130 11.429 23.816 -17.366 1.00 1.31 N ATOM 629 CA GLU A 130 10.207 24.242 -16.623 1.00 1.28 C ATOM 630 C GLU A 130 9.014 23.363 -17.011 1.00 1.16 C ATOM 631 O GLU A 130 7.982 23.384 -16.370 1.00 1.21 O ATOM 632 CB GLU A 130 9.969 25.688 -17.056 1.00 1.69 C ATOM 633 CG GLU A 130 9.600 25.719 -18.540 1.00 2.05 C ATOM 634 CD GLU A 130 10.441 26.778 -19.255 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.605 26.512 -19.506 1.00 2.70 O ATOM 636 OE2 GLU A 130 9.906 27.837 -19.540 1.00 3.03 O ATOM 0 H GLU A 130 11.837 24.526 -17.974 1.00 1.31 H new ATOM 0 HA GLU A 130 10.328 24.151 -15.544 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.169 26.130 -16.462 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.864 26.284 -16.880 1.00 1.69 H new ATOM 0 HG2 GLU A 130 9.771 24.740 -18.988 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.540 25.942 -18.657 1.00 2.05 H new ATOM 643 N ASP A 131 9.147 22.594 -18.056 1.00 1.18 N ATOM 644 CA ASP A 131 8.018 21.719 -18.485 1.00 1.19 C ATOM 645 C ASP A 131 8.011 20.422 -17.670 1.00 1.07 C ATOM 646 O ASP A 131 6.986 19.793 -17.496 1.00 1.14 O ATOM 647 CB ASP A 131 8.289 21.423 -19.960 1.00 1.44 C ATOM 648 CG ASP A 131 8.174 22.717 -20.769 1.00 1.48 C ATOM 649 OD1 ASP A 131 9.178 23.396 -20.909 1.00 2.07 O ATOM 650 OD2 ASP A 131 7.084 23.006 -21.235 1.00 1.91 O ATOM 0 H ASP A 131 9.987 22.533 -18.631 1.00 1.18 H new ATOM 0 HA ASP A 131 7.048 22.192 -18.333 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.284 20.994 -20.079 1.00 1.44 H new ATOM 0 HB3 ASP A 131 7.577 20.685 -20.331 1.00 1.44 H new ATOM 655 N ASP A 132 9.146 20.018 -17.168 1.00 1.00 N ATOM 656 CA ASP A 132 9.201 18.763 -16.366 1.00 1.03 C ATOM 657 C ASP A 132 8.753 19.034 -14.927 1.00 0.88 C ATOM 658 O ASP A 132 8.532 18.123 -14.153 1.00 1.03 O ATOM 659 CB ASP A 132 10.669 18.336 -16.402 1.00 1.13 C ATOM 660 CG ASP A 132 10.763 16.816 -16.251 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.041 16.125 -16.951 1.00 1.99 O ATOM 662 OD2 ASP A 132 11.554 16.369 -15.436 1.00 1.79 O ATOM 0 H ASP A 132 10.037 20.502 -17.278 1.00 1.00 H new ATOM 0 HA ASP A 132 8.542 17.990 -16.761 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.126 18.648 -17.341 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.221 18.826 -15.600 1.00 1.13 H new ATOM 667 N ILE A 133 8.615 20.280 -14.563 1.00 0.75 N ATOM 668 CA ILE A 133 8.180 20.609 -13.175 1.00 0.77 C ATOM 669 C ILE A 133 6.702 20.260 -12.983 1.00 0.70 C ATOM 670 O ILE A 133 6.356 19.364 -12.239 1.00 0.82 O ATOM 671 CB ILE A 133 8.392 22.117 -13.044 1.00 0.87 C ATOM 672 CG1 ILE A 133 9.860 22.451 -13.314 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.020 22.566 -11.630 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.733 21.841 -12.215 1.00 1.00 C ATOM 0 H ILE A 133 8.785 21.085 -15.167 1.00 0.75 H new ATOM 0 HA ILE A 133 8.738 20.048 -12.425 1.00 0.77 H new ATOM 0 HB ILE A 133 7.761 22.635 -13.767 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.159 22.063 -14.288 1.00 0.96 H new ATOM 0 HG13 ILE A 133 9.998 23.532 -13.345 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.172 23.641 -11.538 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.974 22.329 -11.436 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.649 22.048 -10.906 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.779 22.079 -12.407 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.440 22.250 -11.248 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.603 20.759 -12.206 1.00 1.00 H new ATOM 686 N GLU A 134 5.828 20.966 -13.647 1.00 0.61 N ATOM 687 CA GLU A 134 4.372 20.680 -13.501 1.00 0.64 C ATOM 688 C GLU A 134 4.093 19.197 -13.761 1.00 0.64 C ATOM 689 O GLU A 134 3.125 18.644 -13.279 1.00 0.76 O ATOM 690 CB GLU A 134 3.692 21.550 -14.558 1.00 0.73 C ATOM 691 CG GLU A 134 3.453 22.950 -13.989 1.00 0.89 C ATOM 692 CD GLU A 134 3.530 23.980 -15.117 1.00 1.21 C ATOM 693 OE1 GLU A 134 4.579 24.078 -15.733 1.00 1.86 O ATOM 694 OE2 GLU A 134 2.539 24.654 -15.347 1.00 1.87 O ATOM 0 H GLU A 134 6.059 21.728 -14.284 1.00 0.61 H new ATOM 0 HA GLU A 134 4.006 20.897 -12.497 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.315 21.610 -15.451 1.00 0.73 H new ATOM 0 HB3 GLU A 134 2.745 21.102 -14.859 1.00 0.73 H new ATOM 0 HG2 GLU A 134 2.477 22.996 -13.506 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.197 23.175 -13.225 1.00 0.89 H new ATOM 701 N GLU A 135 4.935 18.549 -14.519 1.00 0.59 N ATOM 702 CA GLU A 135 4.716 17.102 -14.808 1.00 0.67 C ATOM 703 C GLU A 135 4.346 16.354 -13.525 1.00 0.74 C ATOM 704 O GLU A 135 3.371 15.631 -13.475 1.00 0.91 O ATOM 705 CB GLU A 135 6.054 16.601 -15.351 1.00 0.72 C ATOM 706 CG GLU A 135 5.993 15.085 -15.543 1.00 1.16 C ATOM 707 CD GLU A 135 5.585 14.768 -16.982 1.00 1.56 C ATOM 708 OE1 GLU A 135 5.882 15.572 -17.851 1.00 2.03 O ATOM 709 OE2 GLU A 135 4.983 13.729 -17.192 1.00 2.29 O ATOM 0 H GLU A 135 5.764 18.958 -14.950 1.00 0.59 H new ATOM 0 HA GLU A 135 3.901 16.942 -15.514 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.279 17.089 -16.299 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.858 16.859 -14.661 1.00 0.72 H new ATOM 0 HG2 GLU A 135 6.964 14.641 -15.323 1.00 1.16 H new ATOM 0 HG3 GLU A 135 5.277 14.648 -14.846 1.00 1.16 H new ATOM 716 N LEU A 136 5.120 16.521 -12.487 1.00 0.73 N ATOM 717 CA LEU A 136 4.816 15.817 -11.209 1.00 0.87 C ATOM 718 C LEU A 136 3.599 16.449 -10.525 1.00 0.81 C ATOM 719 O LEU A 136 2.842 15.782 -9.847 1.00 1.00 O ATOM 720 CB LEU A 136 6.068 16.001 -10.350 1.00 0.99 C ATOM 721 CG LEU A 136 7.294 15.512 -11.123 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.407 16.558 -11.035 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.783 14.193 -10.519 1.00 1.75 C ATOM 0 H LEU A 136 5.949 17.114 -12.469 1.00 0.73 H new ATOM 0 HA LEU A 136 4.577 14.765 -11.366 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.188 17.051 -10.084 1.00 0.99 H new ATOM 0 HB3 LEU A 136 5.967 15.445 -9.418 1.00 0.99 H new ATOM 0 HG LEU A 136 7.026 15.357 -12.168 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.280 16.208 -11.586 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.059 17.497 -11.465 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.677 16.715 -9.991 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.657 13.843 -11.069 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.050 14.348 -9.474 1.00 1.75 H new ATOM 0 HD23 LEU A 136 6.991 13.447 -10.584 1.00 1.75 H new ATOM 735 N MET A 137 3.407 17.729 -10.692 1.00 0.67 N ATOM 736 CA MET A 137 2.241 18.397 -10.044 1.00 0.71 C ATOM 737 C MET A 137 0.930 17.741 -10.489 1.00 0.68 C ATOM 738 O MET A 137 0.123 17.336 -9.677 1.00 0.70 O ATOM 739 CB MET A 137 2.301 19.850 -10.516 1.00 0.82 C ATOM 740 CG MET A 137 2.039 20.782 -9.331 1.00 0.99 C ATOM 741 SD MET A 137 0.410 21.550 -9.517 1.00 0.94 S ATOM 742 CE MET A 137 0.027 21.714 -7.755 1.00 0.53 C ATOM 0 H MET A 137 4.005 18.341 -11.248 1.00 0.67 H new ATOM 0 HA MET A 137 2.278 18.319 -8.957 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.278 20.062 -10.951 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.561 20.021 -11.297 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.084 20.222 -8.397 1.00 0.99 H new ATOM 0 HG3 MET A 137 2.811 21.550 -9.280 1.00 0.99 H new ATOM 0 HE1 MET A 137 -0.629 22.572 -7.603 1.00 0.53 H new ATOM 0 HE2 MET A 137 -0.471 20.810 -7.405 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.950 21.859 -7.194 1.00 0.53 H new ATOM 752 N LYS A 138 0.711 17.638 -11.772 1.00 0.76 N ATOM 753 CA LYS A 138 -0.551 17.011 -12.267 1.00 0.82 C ATOM 754 C LYS A 138 -0.894 15.773 -11.433 1.00 0.72 C ATOM 755 O LYS A 138 -2.009 15.611 -10.977 1.00 0.84 O ATOM 756 CB LYS A 138 -0.258 16.617 -13.715 1.00 0.99 C ATOM 757 CG LYS A 138 -0.640 17.771 -14.645 1.00 1.57 C ATOM 758 CD LYS A 138 0.172 17.674 -15.937 1.00 2.09 C ATOM 759 CE LYS A 138 -0.381 18.663 -16.965 1.00 2.74 C ATOM 760 NZ LYS A 138 -0.262 17.961 -18.273 1.00 3.43 N ATOM 0 H LYS A 138 1.350 17.960 -12.499 1.00 0.76 H new ATOM 0 HA LYS A 138 -1.402 17.688 -12.193 1.00 0.82 H new ATOM 0 HB2 LYS A 138 0.799 16.377 -13.831 1.00 0.99 H new ATOM 0 HB3 LYS A 138 -0.819 15.721 -13.980 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -1.706 17.734 -14.869 1.00 1.57 H new ATOM 0 HG3 LYS A 138 -0.450 18.726 -14.154 1.00 1.57 H new ATOM 0 HD2 LYS A 138 1.221 17.891 -15.736 1.00 2.09 H new ATOM 0 HD3 LYS A 138 0.126 16.659 -16.332 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -1.418 18.921 -16.748 1.00 2.74 H new ATOM 0 HE3 LYS A 138 0.186 19.594 -16.963 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -0.622 18.576 -19.031 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 0.736 17.734 -18.456 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -0.818 17.082 -18.247 1.00 3.43 H new ATOM 774 N ASP A 139 0.053 14.898 -11.230 1.00 0.75 N ATOM 775 CA ASP A 139 -0.224 13.674 -10.425 1.00 0.78 C ATOM 776 C ASP A 139 -0.462 14.049 -8.959 1.00 0.70 C ATOM 777 O ASP A 139 -1.297 13.474 -8.289 1.00 0.81 O ATOM 778 CB ASP A 139 1.035 12.817 -10.562 1.00 0.97 C ATOM 779 CG ASP A 139 0.645 11.401 -10.991 1.00 1.16 C ATOM 780 OD1 ASP A 139 -0.122 11.279 -11.933 1.00 1.66 O ATOM 781 OD2 ASP A 139 1.119 10.464 -10.371 1.00 1.69 O ATOM 0 H ASP A 139 1.005 14.977 -11.586 1.00 0.75 H new ATOM 0 HA ASP A 139 -1.115 13.147 -10.767 1.00 0.78 H new ATOM 0 HB2 ASP A 139 1.710 13.258 -11.296 1.00 0.97 H new ATOM 0 HB3 ASP A 139 1.572 12.786 -9.614 1.00 0.97 H new ATOM 786 N GLY A 140 0.264 15.010 -8.458 1.00 0.64 N ATOM 787 CA GLY A 140 0.079 15.423 -7.039 1.00 0.62 C ATOM 788 C GLY A 140 -1.096 16.399 -6.937 1.00 0.57 C ATOM 789 O GLY A 140 -1.474 16.818 -5.861 1.00 0.65 O ATOM 0 H GLY A 140 0.978 15.527 -8.971 1.00 0.64 H new ATOM 0 HA2 GLY A 140 -0.107 14.548 -6.416 1.00 0.62 H new ATOM 0 HA3 GLY A 140 0.989 15.893 -6.665 1.00 0.62 H new ATOM 793 N ASP A 141 -1.677 16.763 -8.048 1.00 0.56 N ATOM 794 CA ASP A 141 -2.827 17.712 -8.011 1.00 0.56 C ATOM 795 C ASP A 141 -3.807 17.402 -9.146 1.00 0.58 C ATOM 796 O ASP A 141 -4.237 18.283 -9.863 1.00 0.64 O ATOM 797 CB ASP A 141 -2.206 19.096 -8.205 1.00 0.60 C ATOM 798 CG ASP A 141 -3.030 20.134 -7.441 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.698 19.751 -6.495 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.979 21.294 -7.815 1.00 1.23 O ATOM 0 H ASP A 141 -1.406 16.445 -8.978 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.388 17.643 -7.079 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.176 19.098 -7.847 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.176 19.348 -9.265 1.00 0.60 H new ATOM 805 N LYS A 142 -4.166 16.158 -9.313 1.00 0.62 N ATOM 806 CA LYS A 142 -5.120 15.800 -10.402 1.00 0.70 C ATOM 807 C LYS A 142 -6.401 16.629 -10.270 1.00 0.79 C ATOM 808 O LYS A 142 -7.090 16.884 -11.238 1.00 0.92 O ATOM 809 CB LYS A 142 -5.417 14.314 -10.199 1.00 0.79 C ATOM 810 CG LYS A 142 -4.752 13.504 -11.314 1.00 0.88 C ATOM 811 CD LYS A 142 -5.826 12.969 -12.264 1.00 1.37 C ATOM 812 CE LYS A 142 -5.422 11.580 -12.765 1.00 1.79 C ATOM 813 NZ LYS A 142 -4.655 11.832 -14.016 1.00 2.44 N ATOM 0 H LYS A 142 -3.841 15.376 -8.744 1.00 0.62 H new ATOM 0 HA LYS A 142 -4.712 15.999 -11.393 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -5.047 13.988 -9.227 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -6.494 14.143 -10.203 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.046 14.129 -11.861 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -4.183 12.677 -10.888 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -6.786 12.917 -11.751 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.952 13.649 -13.107 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -4.814 11.056 -12.028 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -6.297 10.959 -12.956 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -4.343 10.926 -14.420 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -5.261 12.326 -14.701 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -3.824 12.420 -13.801 1.00 2.44 H new ATOM 827 N ASN A 143 -6.722 17.055 -9.079 1.00 0.80 N ATOM 828 CA ASN A 143 -7.955 17.873 -8.885 1.00 0.95 C ATOM 829 C ASN A 143 -7.722 19.293 -9.406 1.00 0.92 C ATOM 830 O ASN A 143 -8.651 20.025 -9.683 1.00 1.08 O ATOM 831 CB ASN A 143 -8.189 17.883 -7.373 1.00 1.07 C ATOM 832 CG ASN A 143 -9.169 19.000 -7.013 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.874 19.821 -6.042 1.00 1.95 O flip ATOM 834 ND2 ASN A 143 -10.214 19.128 -7.621 1.00 1.70 N flip ATOM 0 H ASN A 143 -6.185 16.873 -8.231 1.00 0.80 H new ATOM 0 HA ASN A 143 -8.813 17.471 -9.423 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -8.585 16.920 -7.050 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.244 18.031 -6.850 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -10.444 18.486 -8.380 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -10.860 19.877 -7.372 1.00 1.70 H new ATOM 841 N ASN A 144 -6.484 19.682 -9.544 1.00 0.86 N ATOM 842 CA ASN A 144 -6.181 21.050 -10.051 1.00 0.93 C ATOM 843 C ASN A 144 -6.865 22.107 -9.179 1.00 1.03 C ATOM 844 O ASN A 144 -7.906 22.631 -9.524 1.00 1.71 O ATOM 845 CB ASN A 144 -6.746 21.077 -11.471 1.00 1.08 C ATOM 846 CG ASN A 144 -6.101 22.221 -12.254 1.00 1.49 C ATOM 847 OD1 ASN A 144 -5.769 23.246 -11.691 1.00 2.18 O ATOM 848 ND2 ASN A 144 -5.907 22.090 -13.538 1.00 1.97 N ATOM 0 H ASN A 144 -5.668 19.110 -9.327 1.00 0.86 H new ATOM 0 HA ASN A 144 -5.114 21.270 -10.031 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -6.553 20.127 -11.969 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -7.828 21.207 -11.441 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -5.477 22.847 -14.069 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -6.185 21.230 -14.011 1.00 1.97 H new ATOM 855 N ASP A 145 -6.288 22.423 -8.051 1.00 0.88 N ATOM 856 CA ASP A 145 -6.905 23.446 -7.158 1.00 0.92 C ATOM 857 C ASP A 145 -5.882 24.531 -6.802 1.00 0.91 C ATOM 858 O ASP A 145 -6.222 25.557 -6.245 1.00 1.07 O ATOM 859 CB ASP A 145 -7.331 22.675 -5.908 1.00 0.93 C ATOM 860 CG ASP A 145 -6.099 22.333 -5.068 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.071 22.036 -5.654 1.00 2.06 O ATOM 862 OD2 ASP A 145 -6.205 22.374 -3.853 1.00 1.89 O ATOM 0 H ASP A 145 -5.417 22.017 -7.709 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.747 23.952 -7.631 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -8.029 23.272 -5.321 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.854 21.762 -6.193 1.00 0.93 H new ATOM 867 N GLY A 146 -4.634 24.317 -7.121 1.00 0.84 N ATOM 868 CA GLY A 146 -3.598 25.341 -6.802 1.00 0.92 C ATOM 869 C GLY A 146 -2.723 24.850 -5.646 1.00 0.66 C ATOM 870 O GLY A 146 -1.638 25.350 -5.422 1.00 0.74 O ATOM 0 H GLY A 146 -4.288 23.479 -7.588 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.982 25.534 -7.680 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -4.075 26.284 -6.534 1.00 0.92 H new ATOM 874 N ARG A 147 -3.184 23.877 -4.908 1.00 0.56 N ATOM 875 CA ARG A 147 -2.375 23.361 -3.767 1.00 0.54 C ATOM 876 C ARG A 147 -2.440 21.832 -3.718 1.00 0.46 C ATOM 877 O ARG A 147 -3.456 21.235 -4.013 1.00 0.45 O ATOM 878 CB ARG A 147 -3.019 23.966 -2.521 1.00 0.77 C ATOM 879 CG ARG A 147 -2.154 25.120 -2.010 1.00 1.39 C ATOM 880 CD ARG A 147 -2.865 25.816 -0.848 1.00 1.79 C ATOM 881 NE ARG A 147 -1.803 26.610 -0.168 1.00 2.55 N ATOM 882 CZ ARG A 147 -2.069 27.250 0.939 1.00 2.87 C ATOM 883 NH1 ARG A 147 -3.270 27.203 1.452 1.00 3.10 N ATOM 884 NH2 ARG A 147 -1.134 27.940 1.532 1.00 3.37 N ATOM 0 H ARG A 147 -4.084 23.418 -5.045 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.322 23.629 -3.853 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.022 24.324 -2.754 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.124 23.206 -1.747 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -1.184 24.745 -1.684 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -1.967 25.832 -2.814 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -3.670 26.458 -1.205 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.313 25.091 -0.168 1.00 1.79 H new ATOM 0 HE ARG A 147 -0.866 26.654 -0.568 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -4.002 26.666 0.988 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -3.475 27.704 2.317 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -0.197 27.979 1.131 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -1.340 28.440 2.397 1.00 3.37 H new ATOM 898 N ILE A 148 -1.362 21.195 -3.346 1.00 0.49 N ATOM 899 CA ILE A 148 -1.361 19.705 -3.278 1.00 0.44 C ATOM 900 C ILE A 148 -1.580 19.239 -1.836 1.00 0.46 C ATOM 901 O ILE A 148 -0.970 19.740 -0.912 1.00 0.63 O ATOM 902 CB ILE A 148 0.025 19.290 -3.769 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.205 19.737 -5.221 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.166 17.768 -3.685 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.477 19.110 -5.795 1.00 0.63 C ATOM 0 H ILE A 148 -0.483 21.642 -3.086 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.157 19.264 -3.878 1.00 0.44 H new ATOM 0 HB ILE A 148 0.785 19.759 -3.145 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.660 19.439 -5.814 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.267 20.824 -5.273 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.155 17.474 -4.036 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.037 17.447 -2.651 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.594 17.297 -4.308 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.605 19.429 -6.829 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.338 19.430 -5.208 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.396 18.024 -5.757 1.00 0.63 H new ATOM 917 N ASP A 149 -2.443 18.281 -1.637 1.00 0.48 N ATOM 918 CA ASP A 149 -2.697 17.779 -0.256 1.00 0.53 C ATOM 919 C ASP A 149 -2.112 16.373 -0.094 1.00 0.53 C ATOM 920 O ASP A 149 -1.470 15.852 -0.983 1.00 0.63 O ATOM 921 CB ASP A 149 -4.220 17.744 -0.118 1.00 0.58 C ATOM 922 CG ASP A 149 -4.827 17.023 -1.324 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.738 15.807 -1.369 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.372 17.700 -2.181 1.00 1.65 O ATOM 0 H ASP A 149 -2.984 17.824 -2.371 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.235 18.409 0.505 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.500 17.233 0.803 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.613 18.759 -0.052 1.00 0.58 H new ATOM 929 N TYR A 150 -2.332 15.754 1.033 1.00 0.58 N ATOM 930 CA TYR A 150 -1.790 14.382 1.246 1.00 0.60 C ATOM 931 C TYR A 150 -2.554 13.378 0.379 1.00 0.59 C ATOM 932 O TYR A 150 -1.969 12.547 -0.288 1.00 0.63 O ATOM 933 CB TYR A 150 -2.015 14.092 2.729 1.00 0.73 C ATOM 934 CG TYR A 150 -1.136 12.941 3.156 1.00 0.72 C ATOM 935 CD1 TYR A 150 0.211 13.165 3.461 1.00 1.15 C ATOM 936 CD2 TYR A 150 -1.669 11.650 3.246 1.00 1.22 C ATOM 937 CE1 TYR A 150 1.027 12.097 3.857 1.00 1.43 C ATOM 938 CE2 TYR A 150 -0.854 10.583 3.642 1.00 1.56 C ATOM 939 CZ TYR A 150 0.494 10.806 3.947 1.00 1.48 C ATOM 940 OH TYR A 150 1.296 9.754 4.338 1.00 1.96 O ATOM 0 H TYR A 150 -2.863 16.138 1.815 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.737 14.304 0.974 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.787 14.977 3.322 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.062 13.850 2.908 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.622 14.161 3.391 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -2.709 11.477 3.010 1.00 1.22 H new ATOM 0 HE1 TYR A 150 2.067 12.270 4.093 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -1.265 9.587 3.712 1.00 1.56 H new ATOM 0 HH TYR A 150 0.852 9.253 5.054 1.00 1.96 H new ATOM 950 N ASP A 151 -3.857 13.449 0.382 1.00 0.64 N ATOM 951 CA ASP A 151 -4.657 12.500 -0.444 1.00 0.70 C ATOM 952 C ASP A 151 -4.062 12.400 -1.850 1.00 0.63 C ATOM 953 O ASP A 151 -4.083 11.356 -2.472 1.00 0.77 O ATOM 954 CB ASP A 151 -6.060 13.107 -0.501 1.00 0.79 C ATOM 955 CG ASP A 151 -6.746 12.940 0.856 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.047 12.682 1.823 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.958 13.072 0.906 1.00 1.90 O ATOM 0 H ASP A 151 -4.402 14.122 0.920 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.666 11.493 -0.026 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.000 14.164 -0.762 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.647 12.619 -1.279 1.00 0.79 H new ATOM 962 N GLU A 152 -3.531 13.479 -2.355 1.00 0.54 N ATOM 963 CA GLU A 152 -2.935 13.449 -3.720 1.00 0.56 C ATOM 964 C GLU A 152 -1.492 12.941 -3.658 1.00 0.52 C ATOM 965 O GLU A 152 -1.047 12.205 -4.516 1.00 0.65 O ATOM 966 CB GLU A 152 -2.973 14.899 -4.202 1.00 0.60 C ATOM 967 CG GLU A 152 -4.315 15.176 -4.881 1.00 0.77 C ATOM 968 CD GLU A 152 -4.761 16.605 -4.568 1.00 0.72 C ATOM 969 OE1 GLU A 152 -3.964 17.346 -4.016 1.00 1.40 O ATOM 970 OE2 GLU A 152 -5.892 16.935 -4.886 1.00 1.17 O ATOM 0 H GLU A 152 -3.484 14.381 -1.881 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.477 12.782 -4.391 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.833 15.577 -3.360 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.156 15.083 -4.899 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.224 15.040 -5.959 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.064 14.465 -4.532 1.00 0.77 H new ATOM 977 N PHE A 153 -0.758 13.326 -2.650 1.00 0.46 N ATOM 978 CA PHE A 153 0.654 12.859 -2.542 1.00 0.46 C ATOM 979 C PHE A 153 0.724 11.351 -2.791 1.00 0.50 C ATOM 980 O PHE A 153 1.655 10.855 -3.395 1.00 0.64 O ATOM 981 CB PHE A 153 1.078 13.191 -1.111 1.00 0.49 C ATOM 982 CG PHE A 153 2.586 13.215 -1.028 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.321 14.043 -1.886 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.250 12.410 -0.093 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.719 14.065 -1.809 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.648 12.433 -0.017 1.00 0.61 C ATOM 987 CZ PHE A 153 5.382 13.260 -0.875 1.00 0.68 C ATOM 0 H PHE A 153 -1.073 13.941 -1.900 1.00 0.46 H new ATOM 0 HA PHE A 153 1.306 13.335 -3.274 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.671 14.158 -0.814 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.676 12.450 -0.420 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.810 14.664 -2.607 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.684 11.772 0.569 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.286 14.703 -2.470 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.160 11.813 0.704 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.460 13.277 -0.817 1.00 0.68 H new ATOM 997 N LEU A 154 -0.255 10.617 -2.338 1.00 0.53 N ATOM 998 CA LEU A 154 -0.241 9.143 -2.561 1.00 0.62 C ATOM 999 C LEU A 154 -0.340 8.845 -4.057 1.00 0.65 C ATOM 1000 O LEU A 154 0.387 8.029 -4.588 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.468 8.615 -1.819 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.093 8.325 -0.364 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.209 7.078 -0.305 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.326 9.517 0.211 1.00 1.20 C ATOM 0 H LEU A 154 -1.062 10.972 -1.825 1.00 0.53 H new ATOM 0 HA LEU A 154 0.675 8.675 -2.202 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.275 9.347 -1.860 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.836 7.708 -2.300 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.999 8.158 0.218 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.059 6.871 0.731 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.752 6.227 -0.717 1.00 1.65 H new ATOM 0 HD13 LEU A 154 0.697 7.246 -0.887 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -0.058 9.312 1.247 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.580 9.682 -0.372 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -0.953 10.408 0.168 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.228 9.509 -4.745 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.363 9.270 -6.209 1.00 0.81 C ATOM 1018 C GLU A 155 -0.140 9.833 -6.937 1.00 0.76 C ATOM 1019 O GLU A 155 0.048 9.617 -8.118 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.629 10.021 -6.621 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.288 9.300 -7.799 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.226 8.212 -7.272 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -5.372 8.527 -7.000 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -3.781 7.083 -7.150 1.00 2.77 O ATOM 0 H GLU A 155 -1.865 10.205 -4.357 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.427 8.210 -6.456 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.322 10.077 -5.781 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.383 11.046 -6.899 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -3.845 10.011 -8.409 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -2.526 8.858 -8.441 1.00 1.41 H new ATOM 1031 N PHE A 156 0.693 10.555 -6.237 1.00 0.66 N ATOM 1032 CA PHE A 156 1.905 11.136 -6.878 1.00 0.77 C ATOM 1033 C PHE A 156 3.061 10.133 -6.822 1.00 0.71 C ATOM 1034 O PHE A 156 3.538 9.666 -7.837 1.00 0.88 O ATOM 1035 CB PHE A 156 2.225 12.381 -6.048 1.00 0.84 C ATOM 1036 CG PHE A 156 3.618 12.867 -6.368 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.106 12.785 -7.677 1.00 1.49 C ATOM 1038 CD2 PHE A 156 4.420 13.404 -5.353 1.00 1.09 C ATOM 1039 CE1 PHE A 156 5.397 13.240 -7.971 1.00 1.72 C ATOM 1040 CE2 PHE A 156 5.711 13.858 -5.648 1.00 1.31 C ATOM 1041 CZ PHE A 156 6.200 13.776 -6.957 1.00 1.53 C ATOM 0 H PHE A 156 0.585 10.767 -5.245 1.00 0.66 H new ATOM 0 HA PHE A 156 1.749 11.377 -7.929 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.499 13.166 -6.259 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.146 12.151 -4.986 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.487 12.371 -8.460 1.00 1.49 H new ATOM 0 HD2 PHE A 156 4.043 13.468 -4.343 1.00 1.09 H new ATOM 0 HE1 PHE A 156 5.774 13.177 -8.981 1.00 1.72 H new ATOM 0 HE2 PHE A 156 6.330 14.272 -4.865 1.00 1.31 H new ATOM 0 HZ PHE A 156 7.196 14.126 -7.185 1.00 1.53 H new ATOM 1051 N MET A 157 3.511 9.792 -5.645 1.00 0.61 N ATOM 1052 CA MET A 157 4.629 8.815 -5.531 1.00 0.69 C ATOM 1053 C MET A 157 4.076 7.423 -5.219 1.00 0.83 C ATOM 1054 O MET A 157 4.694 6.423 -5.524 1.00 1.17 O ATOM 1055 CB MET A 157 5.493 9.326 -4.376 1.00 0.84 C ATOM 1056 CG MET A 157 4.617 9.563 -3.144 1.00 0.92 C ATOM 1057 SD MET A 157 5.471 8.950 -1.671 1.00 1.56 S ATOM 1058 CE MET A 157 7.030 9.832 -1.930 1.00 0.90 C ATOM 0 H MET A 157 3.153 10.148 -4.759 1.00 0.61 H new ATOM 0 HA MET A 157 5.202 8.731 -6.454 1.00 0.69 H new ATOM 0 HB2 MET A 157 6.274 8.602 -4.145 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.991 10.252 -4.664 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.401 10.626 -3.037 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.660 9.054 -3.261 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.463 10.096 -0.965 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.723 9.193 -2.477 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.844 10.739 -2.504 1.00 0.90 H new ATOM 1068 N LYS A 158 2.913 7.366 -4.615 1.00 0.86 N ATOM 1069 CA LYS A 158 2.284 6.051 -4.266 1.00 1.07 C ATOM 1070 C LYS A 158 3.350 5.000 -3.942 1.00 1.36 C ATOM 1071 O LYS A 158 3.767 4.853 -2.809 1.00 1.73 O ATOM 1072 CB LYS A 158 1.461 5.629 -5.496 1.00 1.28 C ATOM 1073 CG LYS A 158 2.082 6.183 -6.786 1.00 1.66 C ATOM 1074 CD LYS A 158 1.384 5.558 -7.997 1.00 2.24 C ATOM 1075 CE LYS A 158 1.297 6.587 -9.127 1.00 2.85 C ATOM 1076 NZ LYS A 158 -0.037 6.358 -9.750 1.00 3.52 N ATOM 0 H LYS A 158 2.366 8.184 -4.346 1.00 0.86 H new ATOM 0 HA LYS A 158 1.656 6.141 -3.379 1.00 1.07 H new ATOM 0 HB2 LYS A 158 1.411 4.541 -5.550 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.438 5.991 -5.396 1.00 1.28 H new ATOM 0 HG2 LYS A 158 1.981 7.268 -6.814 1.00 1.66 H new ATOM 0 HG3 LYS A 158 3.149 5.961 -6.813 1.00 1.66 H new ATOM 0 HD2 LYS A 158 1.934 4.679 -8.333 1.00 2.24 H new ATOM 0 HD3 LYS A 158 0.385 5.222 -7.720 1.00 2.24 H new ATOM 0 HE2 LYS A 158 1.385 7.604 -8.744 1.00 2.85 H new ATOM 0 HE3 LYS A 158 2.100 6.448 -9.851 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -0.173 7.026 -10.535 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.089 5.384 -10.111 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -0.782 6.503 -9.039 1.00 3.52 H new ATOM 1090 N GLY A 159 3.793 4.268 -4.926 1.00 1.73 N ATOM 1091 CA GLY A 159 4.830 3.229 -4.674 1.00 2.35 C ATOM 1092 C GLY A 159 5.942 3.351 -5.718 1.00 2.13 C ATOM 1093 O GLY A 159 6.125 2.482 -6.548 1.00 2.59 O ATOM 0 H GLY A 159 3.482 4.344 -5.894 1.00 1.73 H new ATOM 0 HA2 GLY A 159 5.243 3.348 -3.672 1.00 2.35 H new ATOM 0 HA3 GLY A 159 4.383 2.236 -4.718 1.00 2.35 H new ATOM 1097 N VAL A 160 6.688 4.422 -5.682 1.00 1.87 N ATOM 1098 CA VAL A 160 7.789 4.599 -6.672 1.00 1.87 C ATOM 1099 C VAL A 160 8.964 3.681 -6.320 1.00 2.39 C ATOM 1100 O VAL A 160 9.111 3.249 -5.194 1.00 3.11 O ATOM 1101 CB VAL A 160 8.198 6.067 -6.550 1.00 1.68 C ATOM 1102 CG1 VAL A 160 9.229 6.404 -7.629 1.00 1.89 C ATOM 1103 CG2 VAL A 160 6.965 6.956 -6.730 1.00 1.76 C ATOM 0 H VAL A 160 6.583 5.182 -5.010 1.00 1.87 H new ATOM 0 HA VAL A 160 7.480 4.346 -7.686 1.00 1.87 H new ATOM 0 HB VAL A 160 8.633 6.241 -5.566 1.00 1.68 H new ATOM 0 HG11 VAL A 160 9.519 7.451 -7.540 1.00 1.89 H new ATOM 0 HG12 VAL A 160 10.108 5.772 -7.503 1.00 1.89 H new ATOM 0 HG13 VAL A 160 8.795 6.230 -8.614 1.00 1.89 H new ATOM 0 HG21 VAL A 160 7.256 8.003 -6.643 1.00 1.76 H new ATOM 0 HG22 VAL A 160 6.530 6.780 -7.714 1.00 1.76 H new ATOM 0 HG23 VAL A 160 6.230 6.719 -5.961 1.00 1.76 H new ATOM 1113 N GLU A 161 9.802 3.379 -7.275 1.00 2.52 N ATOM 1114 CA GLU A 161 10.966 2.490 -6.991 1.00 3.28 C ATOM 1115 C GLU A 161 10.488 1.167 -6.386 1.00 3.90 C ATOM 1116 O GLU A 161 10.376 0.205 -7.128 1.00 4.34 O ATOM 1117 CB GLU A 161 11.818 3.263 -5.985 1.00 3.49 C ATOM 1118 CG GLU A 161 13.252 3.371 -6.506 1.00 4.11 C ATOM 1119 CD GLU A 161 13.372 4.591 -7.421 1.00 4.29 C ATOM 1120 OE1 GLU A 161 12.452 5.393 -7.429 1.00 4.56 O ATOM 1121 OE2 GLU A 161 14.381 4.703 -8.097 1.00 4.60 O ATOM 1122 OXT GLU A 161 10.244 1.139 -5.191 1.00 4.37 O ATOM 0 H GLU A 161 9.731 3.709 -8.238 1.00 2.52 H new ATOM 0 HA GLU A 161 11.525 2.242 -7.893 1.00 3.28 H new ATOM 0 HB2 GLU A 161 11.401 4.258 -5.828 1.00 3.49 H new ATOM 0 HB3 GLU A 161 11.808 2.757 -5.020 1.00 3.49 H new ATOM 0 HG2 GLU A 161 13.948 3.459 -5.672 1.00 4.11 H new ATOM 0 HG3 GLU A 161 13.521 2.466 -7.051 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 162 3.037 25.187 1.200 1.00 0.75 CA HETATM 1131 CA CA A 2 -5.486 19.639 -4.405 1.00 0.75 CA HETATM 1132 O1 KDH A 1 6.632 9.549 -9.830 1.00 2.83 O HETATM 1133 C3 KDH A 1 7.891 9.536 -9.310 1.00 2.40 C HETATM 1134 C6 KDH A 1 8.969 9.005 -10.103 1.00 3.09 C HETATM 1135 O7 KDH A 1 8.719 8.557 -11.371 1.00 4.04 O HETATM 1136 C9 KDH A 1 10.316 8.938 -9.575 1.00 2.99 C HETATM 1137 O10 KDH A 1 11.308 8.418 -10.353 1.00 3.91 O HETATM 1138 C12 KDH A 1 10.586 9.422 -8.241 1.00 2.07 C HETATM 1139 C14 KDH A 1 9.502 9.940 -7.434 1.00 1.26 C HETATM 1140 C15 KDH A 1 9.803 10.329 -6.121 1.00 0.94 C HETATM 1141 C20 KDH A 1 11.556 9.970 -4.352 1.00 2.17 C HETATM 1142 C21 KDH A 1 12.403 9.058 -3.622 1.00 3.11 C HETATM 1143 C24 KDH A 1 13.209 9.551 -2.539 1.00 3.89 C HETATM 1144 C26 KDH A 1 13.128 10.925 -2.125 1.00 3.84 C HETATM 1145 C29 KDH A 1 12.259 11.838 -2.838 1.00 3.01 C HETATM 1146 C31 KDH A 1 11.407 11.351 -3.898 1.00 2.10 C HETATM 1147 C33 KDH A 1 10.055 11.860 -5.983 1.00 0.94 C HETATM 1148 C36 KDH A 1 10.700 13.240 -7.815 1.00 1.65 C HETATM 1149 C38 KDH A 1 11.132 12.982 -9.113 1.00 1.49 C HETATM 1150 C39 KDH A 1 10.320 12.146 -9.978 1.00 1.87 C HETATM 1151 C41 KDH A 1 12.372 13.545 -9.586 1.00 2.05 C HETATM 1152 C01 KDH A 1 10.413 12.192 -4.500 1.00 1.46 C HETATM 1153 O01 KDH A 1 10.894 9.530 -5.492 1.00 1.58 O HETATM 1154 O02 KDH A 1 14.065 8.707 -1.893 1.00 4.80 O HETATM 1155 O03 KDH A 1 12.251 13.159 -2.505 1.00 3.24 O HETATM 1156 C4 KDH A 1 8.158 10.043 -7.985 1.00 1.50 C HETATM 1157 O35 KDH A 1 11.092 12.320 -6.882 1.00 1.29 O HETATM 1158 O37 KDH A 1 10.015 14.238 -7.565 1.00 2.52 O HETATM 1159 C43 KDH A 1 12.784 13.322 -10.949 1.00 2.26 C HETATM 1160 O44 KDH A 1 13.950 13.848 -11.440 1.00 3.22 O HETATM 1161 C46 KDH A 1 11.958 12.528 -11.827 1.00 2.00 C HETATM 1162 O47 KDH A 1 12.340 12.323 -13.120 1.00 2.49 O HETATM 1163 C49 KDH A 1 10.719 11.943 -11.347 1.00 2.11 C HETATM 1164 O50 KDH A 1 9.957 11.211 -12.214 1.00 3.03 O HETATM 0 HO50 KDH A 1 10.514 10.904 -12.960 1.00 3.03 H new HETATM 0 HO47 KDH A 1 11.654 12.677 -13.724 1.00 2.49 H new HETATM 0 HO44 KDH A 1 13.906 13.885 -12.418 1.00 3.22 H new HETATM 0 HO10 KDH A 1 12.156 8.442 -9.862 1.00 3.91 H new HETATM 0 HO03 KDH A 1 11.328 13.453 -2.355 1.00 3.24 H new HETATM 0 HO02 KDH A 1 13.571 8.190 -1.223 1.00 4.80 H new HETATM 0 H01A KDH A 1 9.503 12.132 -3.903 1.00 1.46 H new HETATM 0 HO7 KDH A 1 9.032 9.221 -12.020 1.00 4.04 H new HETATM 0 HO1 KDH A 1 6.647 9.166 -10.732 1.00 2.83 H new HETATM 0 H41 KDH A 1 12.995 14.137 -8.916 1.00 2.05 H new HETATM 0 H4 KDH A 1 7.359 10.500 -7.401 1.00 1.50 H new HETATM 0 H39 KDH A 1 9.415 11.675 -9.594 1.00 1.87 H new HETATM 0 H33 KDH A 1 9.143 12.387 -6.263 1.00 0.94 H new HETATM 0 H26 KDH A 1 13.718 11.278 -1.279 1.00 3.84 H new HETATM 0 H21 KDH A 1 12.431 8.002 -3.890 1.00 3.11 H new HETATM 0 H15 KDH A 1 8.900 10.103 -5.554 1.00 0.94 H new HETATM 0 H12 KDH A 1 11.601 9.397 -7.844 1.00 2.07 H new HETATM 0 H01 KDH A 1 10.759 13.225 -4.451 1.00 1.46 H new