USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 513 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 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= -0.159 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 : amide:sc= -1.93 K(o=-1.9,f=-2.8!) 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 -133:sc= -10.6! (180deg=-15.3!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 124 THR OG1 : rot -29:sc= 1.08 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.189 USER MOD Single : A 137 MET CE :methyl 154:sc= -8.39! (180deg=-9.98!) 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 : amide:sc= -1.52 K(o=-1.5,f=-2.7!) USER MOD Single : A 144 ASN : amide:sc= 0.703 K(o=0.7,f=-0.27) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -161:sc= -1.75 (180deg=-2.53) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 7.359 5.768 0.672 1.00 1.27 N ATOM 28 CA LYS A 92 6.897 4.373 0.414 1.00 1.47 C ATOM 29 C LYS A 92 5.381 4.264 0.598 1.00 1.40 C ATOM 30 O LYS A 92 4.634 4.205 -0.358 1.00 1.56 O ATOM 31 CB LYS A 92 7.622 3.518 1.452 1.00 1.61 C ATOM 32 CG LYS A 92 7.000 2.121 1.486 1.00 1.94 C ATOM 33 CD LYS A 92 8.099 1.078 1.696 1.00 2.31 C ATOM 34 CE LYS A 92 8.106 0.098 0.521 1.00 2.59 C ATOM 35 NZ LYS A 92 9.183 -0.881 0.842 1.00 3.20 N ATOM 0 HA LYS A 92 7.113 4.054 -0.606 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.682 3.450 1.207 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.552 3.983 2.435 1.00 1.61 H new ATOM 0 HG2 LYS A 92 6.266 2.058 2.289 1.00 1.94 H new ATOM 0 HG3 LYS A 92 6.471 1.924 0.554 1.00 1.94 H new ATOM 0 HD2 LYS A 92 9.069 1.568 1.780 1.00 2.31 H new ATOM 0 HD3 LYS A 92 7.932 0.541 2.630 1.00 2.31 H new ATOM 0 HE2 LYS A 92 7.141 -0.398 0.415 1.00 2.59 H new ATOM 0 HE3 LYS A 92 8.306 0.611 -0.420 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 9.249 -1.587 0.081 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 10.091 -0.382 0.931 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 8.962 -1.359 1.739 1.00 3.20 H new ATOM 49 N SER A 93 4.922 4.229 1.819 1.00 1.38 N ATOM 50 CA SER A 93 3.454 4.115 2.060 1.00 1.40 C ATOM 51 C SER A 93 3.006 5.118 3.127 1.00 1.20 C ATOM 52 O SER A 93 3.778 5.930 3.594 1.00 1.08 O ATOM 53 CB SER A 93 3.246 2.683 2.549 1.00 1.60 C ATOM 54 OG SER A 93 2.745 1.889 1.481 1.00 2.20 O ATOM 0 H SER A 93 5.498 4.274 2.659 1.00 1.38 H new ATOM 0 HA SER A 93 2.872 4.331 1.164 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.187 2.271 2.913 1.00 1.60 H new ATOM 0 HB3 SER A 93 2.547 2.670 3.386 1.00 1.60 H new ATOM 0 HG SER A 93 2.612 0.969 1.792 1.00 2.20 H new ATOM 60 N GLU A 94 1.759 5.067 3.511 1.00 1.26 N ATOM 61 CA GLU A 94 1.253 6.018 4.543 1.00 1.17 C ATOM 62 C GLU A 94 2.104 5.939 5.814 1.00 1.12 C ATOM 63 O GLU A 94 2.065 6.818 6.652 1.00 1.09 O ATOM 64 CB GLU A 94 -0.179 5.566 4.830 1.00 1.33 C ATOM 65 CG GLU A 94 -0.961 5.484 3.518 1.00 1.28 C ATOM 66 CD GLU A 94 -2.259 6.283 3.646 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.773 6.367 4.749 1.00 1.94 O ATOM 68 OE2 GLU A 94 -2.715 6.799 2.639 1.00 2.09 O ATOM 0 H GLU A 94 1.068 4.407 3.154 1.00 1.26 H new ATOM 0 HA GLU A 94 1.297 7.052 4.201 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.173 4.594 5.323 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.663 6.266 5.511 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.359 5.877 2.699 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -1.184 4.444 3.280 1.00 1.28 H new ATOM 75 N GLU A 95 2.871 4.895 5.968 1.00 1.19 N ATOM 76 CA GLU A 95 3.717 4.770 7.190 1.00 1.23 C ATOM 77 C GLU A 95 4.865 5.782 7.145 1.00 1.03 C ATOM 78 O GLU A 95 5.177 6.425 8.127 1.00 1.01 O ATOM 79 CB GLU A 95 4.259 3.342 7.157 1.00 1.45 C ATOM 80 CG GLU A 95 4.161 2.726 8.555 1.00 1.90 C ATOM 81 CD GLU A 95 2.703 2.377 8.860 1.00 2.12 C ATOM 82 OE1 GLU A 95 1.876 2.558 7.982 1.00 2.49 O ATOM 83 OE2 GLU A 95 2.440 1.934 9.965 1.00 2.66 O ATOM 0 H GLU A 95 2.949 4.125 5.303 1.00 1.19 H new ATOM 0 HA GLU A 95 3.154 4.969 8.102 1.00 1.23 H new ATOM 0 HB2 GLU A 95 3.693 2.743 6.444 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.296 3.343 6.820 1.00 1.45 H new ATOM 0 HG2 GLU A 95 4.780 1.831 8.613 1.00 1.90 H new ATOM 0 HG3 GLU A 95 4.542 3.425 9.299 1.00 1.90 H new ATOM 90 N GLU A 96 5.498 5.927 6.013 1.00 1.02 N ATOM 91 CA GLU A 96 6.626 6.897 5.907 1.00 0.94 C ATOM 92 C GLU A 96 6.130 8.230 5.338 1.00 0.79 C ATOM 93 O GLU A 96 6.576 9.288 5.734 1.00 0.82 O ATOM 94 CB GLU A 96 7.620 6.243 4.948 1.00 1.15 C ATOM 95 CG GLU A 96 8.936 5.975 5.681 1.00 1.62 C ATOM 96 CD GLU A 96 9.807 5.038 4.842 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.248 4.221 4.130 1.00 2.18 O ATOM 98 OE2 GLU A 96 11.018 5.154 4.926 1.00 2.78 O ATOM 0 H GLU A 96 5.283 5.416 5.157 1.00 1.02 H new ATOM 0 HA GLU A 96 7.075 7.114 6.876 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.209 5.310 4.563 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.795 6.892 4.090 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.461 6.913 5.861 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.737 5.529 6.655 1.00 1.62 H new ATOM 105 N LEU A 97 5.215 8.186 4.409 1.00 0.77 N ATOM 106 CA LEU A 97 4.695 9.451 3.813 1.00 0.71 C ATOM 107 C LEU A 97 4.049 10.325 4.893 1.00 0.67 C ATOM 108 O LEU A 97 3.973 11.531 4.765 1.00 0.75 O ATOM 109 CB LEU A 97 3.650 9.006 2.789 1.00 0.80 C ATOM 110 CG LEU A 97 4.317 8.129 1.728 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.312 7.818 0.617 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.517 8.873 1.136 1.00 1.22 C ATOM 0 H LEU A 97 4.805 7.330 4.036 1.00 0.77 H new ATOM 0 HA LEU A 97 5.487 10.046 3.358 1.00 0.71 H new ATOM 0 HB2 LEU A 97 2.852 8.453 3.285 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.191 9.876 2.320 1.00 0.80 H new ATOM 0 HG LEU A 97 4.653 7.198 2.184 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.787 7.193 -0.139 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.456 7.291 1.038 1.00 1.40 H new ATOM 0 HD13 LEU A 97 2.976 8.748 0.160 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.994 8.250 0.379 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.179 9.803 0.680 1.00 1.22 H new ATOM 0 HD23 LEU A 97 6.233 9.096 1.927 1.00 1.22 H new ATOM 124 N SER A 98 3.580 9.726 5.953 1.00 0.69 N ATOM 125 CA SER A 98 2.937 10.521 7.039 1.00 0.76 C ATOM 126 C SER A 98 3.850 11.675 7.470 1.00 0.72 C ATOM 127 O SER A 98 3.457 12.825 7.461 1.00 0.77 O ATOM 128 CB SER A 98 2.740 9.531 8.188 1.00 0.92 C ATOM 129 OG SER A 98 3.235 10.100 9.394 1.00 1.57 O ATOM 0 H SER A 98 3.614 8.719 6.115 1.00 0.69 H new ATOM 0 HA SER A 98 1.996 10.969 6.720 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.683 9.288 8.295 1.00 0.92 H new ATOM 0 HB3 SER A 98 3.262 8.599 7.972 1.00 0.92 H new ATOM 0 HG SER A 98 3.108 9.467 10.131 1.00 1.57 H new ATOM 135 N ASP A 99 5.061 11.377 7.852 1.00 0.80 N ATOM 136 CA ASP A 99 5.992 12.458 8.288 1.00 0.86 C ATOM 137 C ASP A 99 6.724 13.051 7.081 1.00 0.81 C ATOM 138 O ASP A 99 7.366 14.079 7.178 1.00 0.91 O ATOM 139 CB ASP A 99 6.982 11.773 9.230 1.00 1.02 C ATOM 140 CG ASP A 99 6.776 12.293 10.653 1.00 1.23 C ATOM 141 OD1 ASP A 99 6.988 13.475 10.868 1.00 1.83 O ATOM 142 OD2 ASP A 99 6.412 11.500 11.505 1.00 1.79 O ATOM 0 H ASP A 99 5.447 10.433 7.881 1.00 0.80 H new ATOM 0 HA ASP A 99 5.467 13.280 8.774 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.839 10.693 9.202 1.00 1.02 H new ATOM 0 HB3 ASP A 99 8.004 11.968 8.905 1.00 1.02 H new ATOM 147 N LEU A 100 6.636 12.415 5.945 1.00 0.75 N ATOM 148 CA LEU A 100 7.332 12.949 4.739 1.00 0.76 C ATOM 149 C LEU A 100 6.668 14.250 4.278 1.00 0.68 C ATOM 150 O LEU A 100 7.326 15.240 4.030 1.00 0.79 O ATOM 151 CB LEU A 100 7.177 11.862 3.675 1.00 0.86 C ATOM 152 CG LEU A 100 8.388 11.889 2.741 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.557 11.158 3.403 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.033 11.194 1.424 1.00 1.41 C ATOM 0 H LEU A 100 6.114 11.551 5.799 1.00 0.75 H new ATOM 0 HA LEU A 100 8.379 13.179 4.936 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.091 10.884 4.148 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.261 12.023 3.106 1.00 0.86 H new ATOM 0 HG LEU A 100 8.670 12.923 2.542 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.421 11.176 2.738 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.810 11.652 4.341 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.274 10.124 3.602 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.896 11.213 0.758 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.751 10.160 1.623 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.199 11.713 0.952 1.00 1.41 H new ATOM 166 N PHE A 101 5.368 14.254 4.162 1.00 0.60 N ATOM 167 CA PHE A 101 4.662 15.491 3.718 1.00 0.59 C ATOM 168 C PHE A 101 4.961 16.645 4.679 1.00 0.60 C ATOM 169 O PHE A 101 5.249 17.751 4.266 1.00 0.72 O ATOM 170 CB PHE A 101 3.176 15.133 3.755 1.00 0.61 C ATOM 171 CG PHE A 101 2.394 16.143 2.948 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.296 17.468 3.390 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.768 15.753 1.758 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.571 18.403 2.642 1.00 0.73 C ATOM 175 CE2 PHE A 101 1.043 16.688 1.010 1.00 0.90 C ATOM 176 CZ PHE A 101 0.944 18.013 1.452 1.00 0.69 C ATOM 0 H PHE A 101 4.764 13.455 4.355 1.00 0.60 H new ATOM 0 HA PHE A 101 4.979 15.814 2.726 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.022 14.132 3.352 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.820 15.120 4.785 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.780 17.768 4.308 1.00 0.68 H new ATOM 0 HD2 PHE A 101 1.844 14.731 1.417 1.00 0.86 H new ATOM 0 HE1 PHE A 101 1.495 19.425 2.983 1.00 0.73 H new ATOM 0 HE2 PHE A 101 0.560 16.387 0.092 1.00 0.90 H new ATOM 0 HZ PHE A 101 0.384 18.734 0.875 1.00 0.69 H new ATOM 186 N ARG A 102 4.897 16.395 5.958 1.00 0.67 N ATOM 187 CA ARG A 102 5.180 17.477 6.946 1.00 0.76 C ATOM 188 C ARG A 102 6.400 18.289 6.503 1.00 0.68 C ATOM 189 O ARG A 102 6.461 19.488 6.688 1.00 0.78 O ATOM 190 CB ARG A 102 5.466 16.745 8.258 1.00 0.99 C ATOM 191 CG ARG A 102 5.972 17.739 9.307 1.00 1.30 C ATOM 192 CD ARG A 102 6.977 17.042 10.228 1.00 1.45 C ATOM 193 NE ARG A 102 7.265 18.032 11.301 1.00 2.12 N ATOM 194 CZ ARG A 102 8.296 17.867 12.087 1.00 2.71 C ATOM 195 NH1 ARG A 102 9.078 16.832 11.935 1.00 3.07 N ATOM 196 NH2 ARG A 102 8.545 18.739 13.024 1.00 3.37 N ATOM 0 H ARG A 102 4.661 15.489 6.363 1.00 0.67 H new ATOM 0 HA ARG A 102 4.352 18.179 7.044 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.561 16.254 8.616 1.00 0.99 H new ATOM 0 HB3 ARG A 102 6.209 15.964 8.095 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.442 18.592 8.818 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.136 18.126 9.890 1.00 1.30 H new ATOM 0 HD2 ARG A 102 6.563 16.122 10.640 1.00 1.45 H new ATOM 0 HD3 ARG A 102 7.884 16.769 9.688 1.00 1.45 H new ATOM 0 HE ARG A 102 6.656 18.841 11.423 1.00 2.12 H new ATOM 0 HH11 ARG A 102 8.885 16.150 11.201 1.00 3.07 H new ATOM 0 HH12 ARG A 102 9.882 16.706 12.550 1.00 3.07 H new ATOM 0 HH21 ARG A 102 7.936 19.548 13.143 1.00 3.37 H new ATOM 0 HH22 ARG A 102 9.349 18.612 13.638 1.00 3.37 H new ATOM 210 N MET A 103 7.371 17.642 5.919 1.00 0.71 N ATOM 211 CA MET A 103 8.588 18.374 5.465 1.00 0.75 C ATOM 212 C MET A 103 8.465 18.738 3.983 1.00 0.68 C ATOM 213 O MET A 103 8.992 19.736 3.533 1.00 0.83 O ATOM 214 CB MET A 103 9.744 17.396 5.680 1.00 0.93 C ATOM 215 CG MET A 103 11.042 18.014 5.157 1.00 1.27 C ATOM 216 SD MET A 103 12.401 17.608 6.281 1.00 1.82 S ATOM 217 CE MET A 103 13.622 17.186 5.014 1.00 2.43 C ATOM 0 H MET A 103 7.375 16.638 5.736 1.00 0.71 H new ATOM 0 HA MET A 103 8.735 19.306 6.011 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.842 17.161 6.740 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.541 16.458 5.163 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.259 17.638 4.157 1.00 1.27 H new ATOM 0 HG3 MET A 103 10.935 19.096 5.075 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.558 16.899 5.492 1.00 2.43 H new ATOM 0 HE2 MET A 103 13.251 16.355 4.414 1.00 2.43 H new ATOM 0 HE3 MET A 103 13.793 18.050 4.371 1.00 2.43 H new ATOM 227 N PHE A 104 7.774 17.936 3.220 1.00 0.68 N ATOM 228 CA PHE A 104 7.621 18.238 1.768 1.00 0.79 C ATOM 229 C PHE A 104 7.148 19.681 1.572 1.00 0.71 C ATOM 230 O PHE A 104 7.330 20.266 0.522 1.00 0.88 O ATOM 231 CB PHE A 104 6.565 17.254 1.265 1.00 0.94 C ATOM 232 CG PHE A 104 6.855 16.897 -0.172 1.00 1.31 C ATOM 233 CD1 PHE A 104 6.755 17.875 -1.169 1.00 2.03 C ATOM 234 CD2 PHE A 104 7.224 15.589 -0.508 1.00 1.26 C ATOM 235 CE1 PHE A 104 7.025 17.544 -2.502 1.00 2.65 C ATOM 236 CE2 PHE A 104 7.493 15.258 -1.841 1.00 1.86 C ATOM 237 CZ PHE A 104 7.394 16.236 -2.838 1.00 2.56 C ATOM 0 H PHE A 104 7.309 17.086 3.538 1.00 0.68 H new ATOM 0 HA PHE A 104 8.561 18.137 1.226 1.00 0.79 H new ATOM 0 HB2 PHE A 104 6.567 16.355 1.882 1.00 0.94 H new ATOM 0 HB3 PHE A 104 5.572 17.696 1.348 1.00 0.94 H new ATOM 0 HD1 PHE A 104 6.470 18.884 -0.910 1.00 2.03 H new ATOM 0 HD2 PHE A 104 7.301 14.835 0.262 1.00 1.26 H new ATOM 0 HE1 PHE A 104 6.949 18.298 -3.272 1.00 2.65 H new ATOM 0 HE2 PHE A 104 7.777 14.249 -2.100 1.00 1.86 H new ATOM 0 HZ PHE A 104 7.602 15.981 -3.867 1.00 2.56 H new ATOM 247 N ASP A 105 6.541 20.259 2.572 1.00 0.61 N ATOM 248 CA ASP A 105 6.056 21.664 2.440 1.00 0.60 C ATOM 249 C ASP A 105 7.154 22.646 2.858 1.00 0.56 C ATOM 250 O ASP A 105 7.185 23.116 3.978 1.00 0.63 O ATOM 251 CB ASP A 105 4.861 21.761 3.389 1.00 0.68 C ATOM 252 CG ASP A 105 3.713 22.493 2.692 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.992 23.286 1.807 1.00 0.84 O ATOM 254 OD2 ASP A 105 2.574 22.249 3.055 1.00 1.45 O ATOM 0 H ASP A 105 6.360 19.820 3.475 1.00 0.61 H new ATOM 0 HA ASP A 105 5.784 21.911 1.414 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.541 20.764 3.690 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.147 22.292 4.297 1.00 0.68 H new ATOM 259 N LYS A 106 8.054 22.962 1.966 1.00 0.59 N ATOM 260 CA LYS A 106 9.146 23.916 2.315 1.00 0.66 C ATOM 261 C LYS A 106 8.569 25.126 3.053 1.00 0.55 C ATOM 262 O LYS A 106 9.137 25.610 4.012 1.00 0.63 O ATOM 263 CB LYS A 106 9.747 24.339 0.974 1.00 0.87 C ATOM 264 CG LYS A 106 10.755 25.469 1.200 1.00 1.21 C ATOM 265 CD LYS A 106 12.171 24.947 0.947 1.00 1.61 C ATOM 266 CE LYS A 106 12.570 23.986 2.071 1.00 1.77 C ATOM 267 NZ LYS A 106 14.048 23.820 1.944 1.00 2.14 N ATOM 0 H LYS A 106 8.080 22.601 1.012 1.00 0.59 H new ATOM 0 HA LYS A 106 9.893 23.470 2.971 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.238 23.489 0.499 1.00 0.87 H new ATOM 0 HB3 LYS A 106 8.958 24.670 0.298 1.00 0.87 H new ATOM 0 HG2 LYS A 106 10.539 26.303 0.532 1.00 1.21 H new ATOM 0 HG3 LYS A 106 10.672 25.847 2.219 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.215 24.437 -0.015 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.874 25.779 0.899 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.302 24.390 3.047 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.057 23.029 1.971 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 14.390 23.173 2.684 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.274 23.426 1.008 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 14.512 24.745 2.051 1.00 2.14 H new ATOM 281 N ASN A 107 7.441 25.615 2.615 1.00 0.48 N ATOM 282 CA ASN A 107 6.826 26.790 3.295 1.00 0.50 C ATOM 283 C ASN A 107 6.159 26.348 4.600 1.00 0.58 C ATOM 284 O ASN A 107 5.917 27.143 5.487 1.00 0.70 O ATOM 285 CB ASN A 107 5.783 27.316 2.308 1.00 0.54 C ATOM 286 CG ASN A 107 4.857 28.303 3.020 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.255 28.951 3.969 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.630 28.447 2.601 1.00 0.78 N ATOM 0 H ASN A 107 6.919 25.252 1.817 1.00 0.48 H new ATOM 0 HA ASN A 107 7.560 27.553 3.554 1.00 0.50 H new ATOM 0 HB2 ASN A 107 6.276 27.805 1.468 1.00 0.54 H new ATOM 0 HB3 ASN A 107 5.204 26.488 1.899 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.005 29.103 3.069 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.296 27.904 1.805 1.00 0.78 H new ATOM 295 N ALA A 108 5.863 25.083 4.724 1.00 0.65 N ATOM 296 CA ALA A 108 5.215 24.584 5.972 1.00 0.84 C ATOM 297 C ALA A 108 3.891 25.314 6.214 1.00 0.78 C ATOM 298 O ALA A 108 3.742 26.046 7.173 1.00 0.96 O ATOM 299 CB ALA A 108 6.213 24.899 7.087 1.00 1.03 C ATOM 0 H ALA A 108 6.042 24.372 4.015 1.00 0.65 H new ATOM 0 HA ALA A 108 4.983 23.520 5.919 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.810 24.562 8.042 1.00 1.03 H new ATOM 0 HB2 ALA A 108 7.154 24.386 6.889 1.00 1.03 H new ATOM 0 HB3 ALA A 108 6.387 25.974 7.126 1.00 1.03 H new ATOM 305 N ASP A 109 2.928 25.122 5.354 1.00 0.73 N ATOM 306 CA ASP A 109 1.615 25.809 5.541 1.00 0.74 C ATOM 307 C ASP A 109 0.459 24.806 5.445 1.00 0.78 C ATOM 308 O ASP A 109 -0.668 25.114 5.777 1.00 0.96 O ATOM 309 CB ASP A 109 1.534 26.826 4.403 1.00 0.72 C ATOM 310 CG ASP A 109 1.621 26.098 3.060 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.086 24.970 3.049 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.223 26.681 2.066 1.00 1.95 O ATOM 0 H ASP A 109 2.992 24.521 4.532 1.00 0.73 H new ATOM 0 HA ASP A 109 1.539 26.280 6.521 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.600 27.384 4.466 1.00 0.72 H new ATOM 0 HB3 ASP A 109 2.345 27.550 4.490 1.00 0.72 H new ATOM 317 N GLY A 110 0.725 23.609 4.994 1.00 0.76 N ATOM 318 CA GLY A 110 -0.366 22.600 4.880 1.00 0.85 C ATOM 319 C GLY A 110 -0.574 22.230 3.410 1.00 0.70 C ATOM 320 O GLY A 110 -1.178 21.225 3.093 1.00 0.73 O ATOM 0 H GLY A 110 1.648 23.288 4.701 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.113 21.710 5.457 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.290 23.000 5.299 1.00 0.85 H new ATOM 324 N TYR A 111 -0.078 23.033 2.509 1.00 0.68 N ATOM 325 CA TYR A 111 -0.251 22.721 1.061 1.00 0.60 C ATOM 326 C TYR A 111 1.048 22.992 0.299 1.00 0.58 C ATOM 327 O TYR A 111 1.926 23.684 0.774 1.00 0.83 O ATOM 328 CB TYR A 111 -1.356 23.661 0.580 1.00 0.68 C ATOM 329 CG TYR A 111 -2.604 23.435 1.398 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.703 23.976 2.685 1.00 0.71 C ATOM 331 CD2 TYR A 111 -3.663 22.687 0.868 1.00 0.78 C ATOM 332 CE1 TYR A 111 -3.861 23.768 3.444 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.821 22.480 1.627 1.00 0.83 C ATOM 334 CZ TYR A 111 -4.920 23.020 2.915 1.00 0.80 C ATOM 335 OH TYR A 111 -6.062 22.816 3.662 1.00 0.90 O ATOM 0 H TYR A 111 0.438 23.889 2.711 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.504 21.674 0.895 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.031 24.697 0.672 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.564 23.485 -0.475 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -1.887 24.554 3.092 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.586 22.270 -0.125 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -3.937 24.184 4.438 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -5.638 21.904 1.219 1.00 0.83 H new ATOM 0 HH TYR A 111 -6.698 22.278 3.147 1.00 0.90 H new ATOM 345 N ILE A 112 1.175 22.452 -0.882 1.00 0.50 N ATOM 346 CA ILE A 112 2.414 22.679 -1.680 1.00 0.50 C ATOM 347 C ILE A 112 2.057 23.276 -3.043 1.00 0.49 C ATOM 348 O ILE A 112 1.046 22.944 -3.630 1.00 0.66 O ATOM 349 CB ILE A 112 3.035 21.292 -1.849 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.223 20.644 -0.477 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.394 21.420 -2.539 1.00 0.58 C ATOM 352 CD1 ILE A 112 3.896 19.282 -0.647 1.00 0.66 C ATOM 0 H ILE A 112 0.473 21.862 -1.330 1.00 0.50 H new ATOM 0 HA ILE A 112 3.099 23.375 -1.195 1.00 0.50 H new ATOM 0 HB ILE A 112 2.374 20.673 -2.457 1.00 0.50 H new ATOM 0 HG12 ILE A 112 3.832 21.286 0.160 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.259 20.526 0.017 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.836 20.431 -2.659 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.263 21.880 -3.518 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.053 22.041 -1.932 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.031 18.818 0.330 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.270 18.642 -1.269 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.867 19.413 -1.124 1.00 0.66 H new ATOM 364 N ASP A 113 2.877 24.153 -3.552 1.00 0.47 N ATOM 365 CA ASP A 113 2.579 24.765 -4.879 1.00 0.50 C ATOM 366 C ASP A 113 3.615 24.317 -5.912 1.00 0.50 C ATOM 367 O ASP A 113 4.451 23.476 -5.644 1.00 0.57 O ATOM 368 CB ASP A 113 2.662 26.276 -4.652 1.00 0.60 C ATOM 369 CG ASP A 113 4.109 26.675 -4.355 1.00 1.17 C ATOM 370 OD1 ASP A 113 4.946 25.791 -4.286 1.00 1.77 O ATOM 371 OD2 ASP A 113 4.355 27.860 -4.201 1.00 1.85 O ATOM 0 H ASP A 113 3.738 24.472 -3.109 1.00 0.47 H new ATOM 0 HA ASP A 113 1.602 24.467 -5.260 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.302 26.806 -5.534 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.017 26.565 -3.822 1.00 0.60 H new ATOM 376 N LEU A 114 3.567 24.872 -7.090 1.00 0.52 N ATOM 377 CA LEU A 114 4.548 24.480 -8.141 1.00 0.57 C ATOM 378 C LEU A 114 5.936 25.029 -7.800 1.00 0.63 C ATOM 379 O LEU A 114 6.939 24.371 -7.994 1.00 0.80 O ATOM 380 CB LEU A 114 4.020 25.114 -9.428 1.00 0.62 C ATOM 381 CG LEU A 114 3.161 24.099 -10.183 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.170 24.837 -11.085 1.00 0.91 C ATOM 383 CD2 LEU A 114 4.061 23.208 -11.040 1.00 0.81 C ATOM 0 H LEU A 114 2.890 25.581 -7.372 1.00 0.52 H new ATOM 0 HA LEU A 114 4.649 23.398 -8.231 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.432 26.001 -9.194 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.852 25.439 -10.053 1.00 0.62 H new ATOM 0 HG LEU A 114 2.613 23.485 -9.468 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.558 24.113 -11.623 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.528 25.473 -10.476 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.717 25.452 -11.800 1.00 0.91 H new ATOM 0 HD21 LEU A 114 3.450 22.484 -11.579 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.608 23.823 -11.754 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.767 22.681 -10.399 1.00 0.81 H new ATOM 395 N ASP A 115 6.001 26.229 -7.292 1.00 0.61 N ATOM 396 CA ASP A 115 7.324 26.819 -6.938 1.00 0.71 C ATOM 397 C ASP A 115 7.987 26.002 -5.826 1.00 0.65 C ATOM 398 O ASP A 115 9.066 25.469 -5.991 1.00 0.89 O ATOM 399 CB ASP A 115 7.006 28.232 -6.447 1.00 0.80 C ATOM 400 CG ASP A 115 7.003 29.197 -7.634 1.00 1.17 C ATOM 401 OD1 ASP A 115 6.786 28.739 -8.744 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.217 30.377 -7.413 1.00 1.76 O ATOM 0 H ASP A 115 5.196 26.827 -7.107 1.00 0.61 H new ATOM 0 HA ASP A 115 8.014 26.825 -7.782 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.035 28.246 -5.951 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.745 28.547 -5.710 1.00 0.80 H new ATOM 407 N GLU A 116 7.346 25.900 -4.693 1.00 0.51 N ATOM 408 CA GLU A 116 7.935 25.117 -3.567 1.00 0.48 C ATOM 409 C GLU A 116 8.235 23.685 -4.017 1.00 0.49 C ATOM 410 O GLU A 116 9.154 23.051 -3.537 1.00 0.63 O ATOM 411 CB GLU A 116 6.859 25.122 -2.479 1.00 0.48 C ATOM 412 CG GLU A 116 6.539 26.564 -2.082 1.00 0.57 C ATOM 413 CD GLU A 116 5.565 26.565 -0.902 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.764 25.776 0.005 1.00 1.19 O ATOM 415 OE2 GLU A 116 4.636 27.356 -0.927 1.00 1.36 O ATOM 0 H GLU A 116 6.440 26.325 -4.498 1.00 0.51 H new ATOM 0 HA GLU A 116 8.875 25.542 -3.215 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.959 24.625 -2.841 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.204 24.563 -1.609 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.455 27.090 -1.812 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.103 27.097 -2.927 1.00 0.57 H new ATOM 422 N LEU A 117 7.463 23.170 -4.935 1.00 0.48 N ATOM 423 CA LEU A 117 7.694 21.777 -5.418 1.00 0.52 C ATOM 424 C LEU A 117 9.141 21.603 -5.888 1.00 0.58 C ATOM 425 O LEU A 117 9.821 20.671 -5.505 1.00 0.69 O ATOM 426 CB LEU A 117 6.733 21.606 -6.596 1.00 0.55 C ATOM 427 CG LEU A 117 5.482 20.857 -6.137 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.513 20.716 -7.313 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.876 19.466 -5.634 1.00 0.53 C ATOM 0 H LEU A 117 6.680 23.655 -5.373 1.00 0.48 H new ATOM 0 HA LEU A 117 7.525 21.039 -4.633 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.458 22.581 -6.997 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.223 21.057 -7.400 1.00 0.55 H new ATOM 0 HG LEU A 117 5.001 21.413 -5.332 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.620 20.182 -6.987 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.232 21.706 -7.674 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.995 20.160 -8.117 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.984 18.931 -5.307 1.00 0.53 H new ATOM 0 HD22 LEU A 117 6.357 18.911 -6.439 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.568 19.564 -4.797 1.00 0.53 H new ATOM 441 N LYS A 118 9.612 22.485 -6.726 1.00 0.59 N ATOM 442 CA LYS A 118 11.009 22.364 -7.234 1.00 0.69 C ATOM 443 C LYS A 118 12.007 22.954 -6.232 1.00 0.64 C ATOM 444 O LYS A 118 13.182 22.649 -6.265 1.00 0.73 O ATOM 445 CB LYS A 118 11.021 23.164 -8.537 1.00 0.83 C ATOM 446 CG LYS A 118 10.614 24.611 -8.253 1.00 0.99 C ATOM 447 CD LYS A 118 11.507 25.561 -9.054 1.00 1.35 C ATOM 448 CE LYS A 118 10.753 26.864 -9.328 1.00 1.51 C ATOM 449 NZ LYS A 118 10.138 26.678 -10.672 1.00 1.99 N ATOM 0 H LYS A 118 9.090 23.286 -7.082 1.00 0.59 H new ATOM 0 HA LYS A 118 11.301 21.324 -7.384 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.015 23.136 -8.984 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.335 22.717 -9.257 1.00 0.83 H new ATOM 0 HG2 LYS A 118 9.569 24.765 -8.521 1.00 0.99 H new ATOM 0 HG3 LYS A 118 10.704 24.822 -7.188 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.423 25.768 -8.501 1.00 1.35 H new ATOM 0 HD3 LYS A 118 11.801 25.094 -9.994 1.00 1.35 H new ATOM 0 HE2 LYS A 118 9.993 27.048 -8.568 1.00 1.51 H new ATOM 0 HE3 LYS A 118 11.428 27.720 -9.318 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 9.603 27.532 -10.930 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 10.885 26.512 -11.376 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 9.496 25.860 -10.650 1.00 1.99 H new ATOM 463 N ILE A 119 11.555 23.798 -5.347 1.00 0.68 N ATOM 464 CA ILE A 119 12.491 24.402 -4.356 1.00 0.74 C ATOM 465 C ILE A 119 12.746 23.432 -3.199 1.00 0.75 C ATOM 466 O ILE A 119 13.753 23.509 -2.525 1.00 0.85 O ATOM 467 CB ILE A 119 11.782 25.661 -3.856 1.00 0.98 C ATOM 468 CG1 ILE A 119 11.864 26.748 -4.930 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.460 26.155 -2.578 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.326 28.065 -4.368 1.00 1.06 C ATOM 0 H ILE A 119 10.583 24.095 -5.266 1.00 0.68 H new ATOM 0 HA ILE A 119 13.463 24.628 -4.795 1.00 0.74 H new ATOM 0 HB ILE A 119 10.737 25.433 -3.646 1.00 0.98 H new ATOM 0 HG12 ILE A 119 12.896 26.875 -5.256 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.287 26.452 -5.806 1.00 1.22 H new ATOM 0 HG21 ILE A 119 11.955 27.053 -2.222 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.405 25.380 -1.814 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.505 26.385 -2.786 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.385 28.838 -5.134 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.288 27.934 -4.064 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.922 28.363 -3.505 1.00 1.06 H new ATOM 482 N MET A 120 11.843 22.520 -2.963 1.00 0.85 N ATOM 483 CA MET A 120 12.040 21.550 -1.847 1.00 1.01 C ATOM 484 C MET A 120 12.857 20.346 -2.326 1.00 0.95 C ATOM 485 O MET A 120 13.442 19.629 -1.539 1.00 1.11 O ATOM 486 CB MET A 120 10.629 21.116 -1.449 1.00 1.17 C ATOM 487 CG MET A 120 10.683 20.361 -0.119 1.00 1.52 C ATOM 488 SD MET A 120 11.129 18.634 -0.424 1.00 1.88 S ATOM 489 CE MET A 120 9.577 18.136 -1.209 1.00 1.43 C ATOM 0 H MET A 120 10.979 22.404 -3.493 1.00 0.85 H new ATOM 0 HA MET A 120 12.585 21.988 -1.011 1.00 1.01 H new ATOM 0 HB2 MET A 120 9.981 21.988 -1.358 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.201 20.480 -2.223 1.00 1.17 H new ATOM 0 HG2 MET A 120 11.413 20.824 0.545 1.00 1.52 H new ATOM 0 HG3 MET A 120 9.716 20.415 0.382 1.00 1.52 H new ATOM 0 HE1 MET A 120 9.236 17.196 -0.776 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.823 18.906 -1.045 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.736 18.006 -2.280 1.00 1.43 H new ATOM 499 N LEU A 121 12.903 20.119 -3.610 1.00 0.87 N ATOM 500 CA LEU A 121 13.683 18.961 -4.134 1.00 0.95 C ATOM 501 C LEU A 121 15.175 19.301 -4.177 1.00 0.87 C ATOM 502 O LEU A 121 16.012 18.438 -4.342 1.00 0.97 O ATOM 503 CB LEU A 121 13.146 18.727 -5.546 1.00 1.09 C ATOM 504 CG LEU A 121 12.304 17.451 -5.564 1.00 1.41 C ATOM 505 CD1 LEU A 121 10.962 17.732 -6.242 1.00 2.03 C ATOM 506 CD2 LEU A 121 13.047 16.361 -6.340 1.00 1.80 C ATOM 0 H LEU A 121 12.435 20.684 -4.319 1.00 0.87 H new ATOM 0 HA LEU A 121 13.578 18.076 -3.506 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.543 19.578 -5.863 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.972 18.641 -6.252 1.00 1.09 H new ATOM 0 HG LEU A 121 12.131 17.117 -4.541 1.00 1.41 H new ATOM 0 HD11 LEU A 121 10.363 16.822 -6.254 1.00 2.03 H new ATOM 0 HD12 LEU A 121 10.431 18.508 -5.691 1.00 2.03 H new ATOM 0 HD13 LEU A 121 11.134 18.067 -7.265 1.00 2.03 H new ATOM 0 HD21 LEU A 121 12.447 15.451 -6.353 1.00 1.80 H new ATOM 0 HD22 LEU A 121 13.220 16.696 -7.363 1.00 1.80 H new ATOM 0 HD23 LEU A 121 14.003 16.158 -5.858 1.00 1.80 H new ATOM 518 N GLN A 122 15.516 20.551 -4.028 1.00 0.82 N ATOM 519 CA GLN A 122 16.955 20.938 -4.060 1.00 0.95 C ATOM 520 C GLN A 122 17.783 19.968 -3.212 1.00 1.04 C ATOM 521 O GLN A 122 18.967 19.796 -3.425 1.00 1.19 O ATOM 522 CB GLN A 122 17.000 22.344 -3.461 1.00 1.14 C ATOM 523 CG GLN A 122 17.285 23.362 -4.566 1.00 1.42 C ATOM 524 CD GLN A 122 17.868 24.635 -3.950 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.985 24.636 -3.471 1.00 2.44 O ATOM 526 NE2 GLN A 122 17.153 25.727 -3.940 1.00 2.28 N ATOM 0 H GLN A 122 14.862 21.321 -3.886 1.00 0.82 H new ATOM 0 HA GLN A 122 17.367 20.910 -5.069 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.051 22.574 -2.976 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.772 22.399 -2.694 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.984 22.943 -5.290 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.367 23.594 -5.106 1.00 1.42 H new ATOM 0 HE21 GLN A 122 16.216 25.726 -4.342 1.00 2.28 H new ATOM 0 HE22 GLN A 122 17.532 26.581 -3.530 1.00 2.28 H new ATOM 535 N ALA A 123 17.169 19.336 -2.250 1.00 1.09 N ATOM 536 CA ALA A 123 17.917 18.379 -1.383 1.00 1.33 C ATOM 537 C ALA A 123 18.749 17.415 -2.235 1.00 1.38 C ATOM 538 O ALA A 123 19.743 16.879 -1.787 1.00 1.62 O ATOM 539 CB ALA A 123 16.837 17.618 -0.614 1.00 1.45 C ATOM 0 H ALA A 123 16.179 19.441 -2.026 1.00 1.09 H new ATOM 0 HA ALA A 123 18.614 18.889 -0.718 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.306 16.891 0.049 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.248 18.320 -0.024 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.186 17.100 -1.318 1.00 1.45 H new ATOM 545 N THR A 124 18.353 17.185 -3.458 1.00 1.29 N ATOM 546 CA THR A 124 19.128 16.251 -4.326 1.00 1.47 C ATOM 547 C THR A 124 19.650 16.984 -5.568 1.00 1.44 C ATOM 548 O THR A 124 19.972 16.375 -6.569 1.00 1.72 O ATOM 549 CB THR A 124 18.132 15.157 -4.721 1.00 1.56 C ATOM 550 OG1 THR A 124 18.747 14.267 -5.641 1.00 2.16 O ATOM 551 CG2 THR A 124 16.899 15.790 -5.367 1.00 1.92 C ATOM 0 H THR A 124 17.530 17.601 -3.893 1.00 1.29 H new ATOM 0 HA THR A 124 20.000 15.842 -3.815 1.00 1.47 H new ATOM 0 HB THR A 124 17.828 14.607 -3.830 1.00 1.56 H new ATOM 0 HG1 THR A 124 19.422 14.750 -6.162 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.193 15.008 -5.647 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.426 16.470 -4.659 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.198 16.344 -6.257 1.00 1.92 H new ATOM 559 N GLY A 125 19.740 18.286 -5.509 1.00 1.26 N ATOM 560 CA GLY A 125 20.244 19.055 -6.685 1.00 1.32 C ATOM 561 C GLY A 125 19.072 19.423 -7.598 1.00 1.26 C ATOM 562 O GLY A 125 19.158 20.341 -8.387 1.00 1.63 O ATOM 0 H GLY A 125 19.487 18.850 -4.698 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.755 19.958 -6.350 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.974 18.461 -7.235 1.00 1.32 H new ATOM 566 N GLU A 126 17.983 18.707 -7.484 1.00 1.02 N ATOM 567 CA GLU A 126 16.778 18.984 -8.328 1.00 1.08 C ATOM 568 C GLU A 126 17.166 19.524 -9.710 1.00 0.89 C ATOM 569 O GLU A 126 16.615 20.498 -10.180 1.00 0.87 O ATOM 570 CB GLU A 126 15.960 20.014 -7.536 1.00 1.34 C ATOM 571 CG GLU A 126 16.504 21.431 -7.761 1.00 1.45 C ATOM 572 CD GLU A 126 15.428 22.289 -8.432 1.00 1.61 C ATOM 573 OE1 GLU A 126 14.879 21.847 -9.427 1.00 2.16 O ATOM 574 OE2 GLU A 126 15.170 23.374 -7.938 1.00 2.09 O ATOM 0 H GLU A 126 17.875 17.930 -6.832 1.00 1.02 H new ATOM 0 HA GLU A 126 16.208 18.075 -8.522 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.915 19.968 -7.842 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.992 19.772 -6.474 1.00 1.34 H new ATOM 0 HG2 GLU A 126 16.798 21.875 -6.810 1.00 1.45 H new ATOM 0 HG3 GLU A 126 17.397 21.395 -8.385 1.00 1.45 H new ATOM 581 N THR A 127 18.100 18.896 -10.369 1.00 1.09 N ATOM 582 CA THR A 127 18.500 19.379 -11.722 1.00 1.21 C ATOM 583 C THR A 127 17.583 18.762 -12.780 1.00 1.29 C ATOM 584 O THR A 127 17.815 17.668 -13.256 1.00 1.60 O ATOM 585 CB THR A 127 19.938 18.896 -11.910 1.00 1.57 C ATOM 586 OG1 THR A 127 20.354 19.165 -13.242 1.00 1.91 O ATOM 587 CG2 THR A 127 20.013 17.392 -11.644 1.00 2.18 C ATOM 0 H THR A 127 18.601 18.074 -10.032 1.00 1.09 H new ATOM 0 HA THR A 127 18.424 20.462 -11.818 1.00 1.21 H new ATOM 0 HB THR A 127 20.592 19.418 -11.211 1.00 1.57 H new ATOM 0 HG1 THR A 127 21.276 18.858 -13.365 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.039 17.049 -11.779 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.693 17.187 -10.622 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.361 16.866 -12.341 1.00 2.18 H new ATOM 595 N ILE A 128 16.537 19.451 -13.145 1.00 1.08 N ATOM 596 CA ILE A 128 15.600 18.900 -14.165 1.00 1.20 C ATOM 597 C ILE A 128 15.189 19.989 -15.161 1.00 1.18 C ATOM 598 O ILE A 128 15.301 21.168 -14.888 1.00 1.15 O ATOM 599 CB ILE A 128 14.393 18.420 -13.359 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.328 17.871 -14.309 1.00 1.32 C ATOM 601 CG2 ILE A 128 13.811 19.590 -12.563 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.787 16.522 -14.862 1.00 2.03 C ATOM 0 H ILE A 128 16.290 20.372 -12.781 1.00 1.08 H new ATOM 0 HA ILE A 128 16.049 18.099 -14.752 1.00 1.20 H new ATOM 0 HB ILE A 128 14.707 17.634 -12.672 1.00 1.12 H new ATOM 0 HG12 ILE A 128 12.380 17.757 -13.783 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.157 18.572 -15.126 1.00 1.32 H new ATOM 0 HG21 ILE A 128 12.950 19.247 -11.989 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.569 19.980 -11.883 1.00 1.62 H new ATOM 0 HG23 ILE A 128 13.499 20.377 -13.249 1.00 1.62 H new ATOM 0 HD11 ILE A 128 13.029 16.129 -15.539 1.00 2.03 H new ATOM 0 HD12 ILE A 128 14.725 16.650 -15.402 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.935 15.823 -14.039 1.00 2.03 H new ATOM 614 N THR A 129 14.708 19.603 -16.312 1.00 1.34 N ATOM 615 CA THR A 129 14.284 20.616 -17.321 1.00 1.42 C ATOM 616 C THR A 129 13.030 21.348 -16.832 1.00 1.16 C ATOM 617 O THR A 129 12.122 20.749 -16.291 1.00 0.97 O ATOM 618 CB THR A 129 13.978 19.817 -18.591 1.00 1.64 C ATOM 619 OG1 THR A 129 13.990 18.427 -18.293 1.00 2.23 O ATOM 620 CG2 THR A 129 15.034 20.121 -19.655 1.00 2.28 C ATOM 0 H THR A 129 14.590 18.631 -16.597 1.00 1.34 H new ATOM 0 HA THR A 129 15.050 21.371 -17.495 1.00 1.42 H new ATOM 0 HB THR A 129 12.994 20.099 -18.967 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.792 17.916 -19.106 1.00 2.23 H new ATOM 0 HG21 THR A 129 14.815 19.552 -20.558 1.00 2.28 H new ATOM 0 HG22 THR A 129 15.022 21.186 -19.886 1.00 2.28 H new ATOM 0 HG23 THR A 129 16.019 19.842 -19.280 1.00 2.28 H new ATOM 628 N GLU A 130 12.974 22.638 -17.016 1.00 1.31 N ATOM 629 CA GLU A 130 11.780 23.405 -16.557 1.00 1.28 C ATOM 630 C GLU A 130 10.492 22.713 -17.012 1.00 1.16 C ATOM 631 O GLU A 130 9.607 22.447 -16.223 1.00 1.21 O ATOM 632 CB GLU A 130 11.912 24.779 -17.216 1.00 1.69 C ATOM 633 CG GLU A 130 10.765 25.679 -16.753 1.00 2.05 C ATOM 634 CD GLU A 130 10.724 26.940 -17.618 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.282 26.909 -18.702 1.00 2.70 O ATOM 636 OE2 GLU A 130 10.135 27.915 -17.181 1.00 3.03 O ATOM 0 H GLU A 130 13.702 23.195 -17.464 1.00 1.31 H new ATOM 0 HA GLU A 130 11.732 23.476 -15.470 1.00 1.28 H new ATOM 0 HB2 GLU A 130 12.870 25.229 -16.955 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.893 24.677 -18.301 1.00 1.69 H new ATOM 0 HG2 GLU A 130 9.818 25.145 -16.825 1.00 2.05 H new ATOM 0 HG3 GLU A 130 10.900 25.948 -15.705 1.00 2.05 H new ATOM 643 N ASP A 131 10.380 22.421 -18.278 1.00 1.18 N ATOM 644 CA ASP A 131 9.148 21.748 -18.783 1.00 1.19 C ATOM 645 C ASP A 131 8.867 20.475 -17.980 1.00 1.07 C ATOM 646 O ASP A 131 7.760 19.975 -17.959 1.00 1.14 O ATOM 647 CB ASP A 131 9.456 21.407 -20.242 1.00 1.44 C ATOM 648 CG ASP A 131 8.162 21.019 -20.961 1.00 1.48 C ATOM 649 OD1 ASP A 131 7.184 21.732 -20.806 1.00 1.91 O ATOM 650 OD2 ASP A 131 8.171 20.014 -21.653 1.00 2.07 O ATOM 0 H ASP A 131 11.088 22.619 -18.986 1.00 1.18 H new ATOM 0 HA ASP A 131 8.265 22.380 -18.688 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.917 22.262 -20.737 1.00 1.44 H new ATOM 0 HB3 ASP A 131 10.172 20.586 -20.291 1.00 1.44 H new ATOM 655 N ASP A 132 9.860 19.947 -17.317 1.00 1.00 N ATOM 656 CA ASP A 132 9.646 18.706 -16.516 1.00 1.03 C ATOM 657 C ASP A 132 9.111 19.059 -15.126 1.00 0.88 C ATOM 658 O ASP A 132 8.613 18.214 -14.408 1.00 1.03 O ATOM 659 CB ASP A 132 11.028 18.060 -16.407 1.00 1.13 C ATOM 660 CG ASP A 132 11.045 16.745 -17.188 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.815 16.786 -18.386 1.00 1.79 O ATOM 662 OD2 ASP A 132 11.290 15.718 -16.576 1.00 1.99 O ATOM 0 H ASP A 132 10.809 20.320 -17.295 1.00 1.00 H new ATOM 0 HA ASP A 132 8.918 18.039 -16.978 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.788 18.736 -16.798 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.273 17.876 -15.361 1.00 1.13 H new ATOM 667 N ILE A 133 9.212 20.301 -14.738 1.00 0.75 N ATOM 668 CA ILE A 133 8.712 20.705 -13.392 1.00 0.77 C ATOM 669 C ILE A 133 7.181 20.719 -13.377 1.00 0.70 C ATOM 670 O ILE A 133 6.560 20.684 -12.333 1.00 0.82 O ATOM 671 CB ILE A 133 9.267 22.112 -13.170 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.796 22.052 -13.138 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.753 22.663 -11.838 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.247 21.184 -11.962 1.00 1.00 C ATOM 0 H ILE A 133 9.619 21.053 -15.294 1.00 0.75 H new ATOM 0 HA ILE A 133 9.028 20.015 -12.609 1.00 0.77 H new ATOM 0 HB ILE A 133 8.941 22.764 -13.981 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.174 21.641 -14.074 1.00 0.96 H new ATOM 0 HG13 ILE A 133 11.208 23.056 -13.042 1.00 0.96 H new ATOM 0 HG21 ILE A 133 9.150 23.666 -11.682 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.664 22.703 -11.857 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.079 22.013 -11.026 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.336 21.141 -11.938 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.881 21.615 -11.030 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.846 20.177 -12.078 1.00 1.00 H new ATOM 686 N GLU A 134 6.567 20.767 -14.528 1.00 0.61 N ATOM 687 CA GLU A 134 5.077 20.782 -14.579 1.00 0.64 C ATOM 688 C GLU A 134 4.534 19.350 -14.587 1.00 0.64 C ATOM 689 O GLU A 134 3.349 19.124 -14.439 1.00 0.76 O ATOM 690 CB GLU A 134 4.732 21.494 -15.889 1.00 0.73 C ATOM 691 CG GLU A 134 4.609 22.997 -15.634 1.00 0.89 C ATOM 692 CD GLU A 134 4.576 23.741 -16.971 1.00 1.21 C ATOM 693 OE1 GLU A 134 5.515 23.590 -17.735 1.00 1.87 O ATOM 694 OE2 GLU A 134 3.612 24.451 -17.207 1.00 1.86 O ATOM 0 H GLU A 134 7.033 20.796 -15.435 1.00 0.61 H new ATOM 0 HA GLU A 134 4.639 21.283 -13.716 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.504 21.303 -16.634 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.797 21.105 -16.292 1.00 0.73 H new ATOM 0 HG2 GLU A 134 3.703 23.207 -15.066 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.449 23.345 -15.033 1.00 0.89 H new ATOM 701 N GLU A 135 5.391 18.382 -14.758 1.00 0.59 N ATOM 702 CA GLU A 135 4.924 16.966 -14.777 1.00 0.67 C ATOM 703 C GLU A 135 4.458 16.540 -13.381 1.00 0.74 C ATOM 704 O GLU A 135 3.312 16.192 -13.180 1.00 0.91 O ATOM 705 CB GLU A 135 6.146 16.155 -15.209 1.00 0.72 C ATOM 706 CG GLU A 135 5.736 14.701 -15.451 1.00 1.16 C ATOM 707 CD GLU A 135 6.700 13.769 -14.714 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.745 13.836 -13.497 1.00 2.03 O ATOM 709 OE2 GLU A 135 7.379 13.005 -15.381 1.00 2.29 O ATOM 0 H GLU A 135 6.395 18.510 -14.886 1.00 0.59 H new ATOM 0 HA GLU A 135 4.078 16.818 -15.448 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.574 16.579 -16.117 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.917 16.203 -14.440 1.00 0.72 H new ATOM 0 HG2 GLU A 135 4.717 14.537 -15.102 1.00 1.16 H new ATOM 0 HG3 GLU A 135 5.747 14.482 -16.519 1.00 1.16 H new ATOM 716 N LEU A 136 5.337 16.563 -12.415 1.00 0.73 N ATOM 717 CA LEU A 136 4.937 16.156 -11.037 1.00 0.87 C ATOM 718 C LEU A 136 3.580 16.769 -10.680 1.00 0.81 C ATOM 719 O LEU A 136 2.825 16.219 -9.903 1.00 1.00 O ATOM 720 CB LEU A 136 6.031 16.708 -10.124 1.00 0.99 C ATOM 721 CG LEU A 136 7.399 16.248 -10.628 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.171 17.450 -11.175 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.184 15.621 -9.473 1.00 1.75 C ATOM 0 H LEU A 136 6.312 16.845 -12.520 1.00 0.73 H new ATOM 0 HA LEU A 136 4.835 15.075 -10.940 1.00 0.87 H new ATOM 0 HB2 LEU A 136 5.987 17.797 -10.104 1.00 0.99 H new ATOM 0 HB3 LEU A 136 5.874 16.364 -9.102 1.00 0.99 H new ATOM 0 HG LEU A 136 7.265 15.511 -11.419 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.147 17.123 -11.535 1.00 1.74 H new ATOM 0 HD12 LEU A 136 7.613 17.898 -11.997 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.305 18.187 -10.383 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.159 15.293 -9.832 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.318 16.358 -8.681 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.634 14.765 -9.082 1.00 1.75 H new ATOM 735 N MET A 137 3.266 17.905 -11.241 1.00 0.67 N ATOM 736 CA MET A 137 1.959 18.550 -10.933 1.00 0.71 C ATOM 737 C MET A 137 0.807 17.671 -11.430 1.00 0.68 C ATOM 738 O MET A 137 -0.178 17.478 -10.745 1.00 0.70 O ATOM 739 CB MET A 137 1.987 19.881 -11.686 1.00 0.82 C ATOM 740 CG MET A 137 1.947 21.035 -10.683 1.00 0.99 C ATOM 741 SD MET A 137 0.398 20.973 -9.749 1.00 0.94 S ATOM 742 CE MET A 137 1.112 21.247 -8.108 1.00 0.53 C ATOM 0 H MET A 137 3.857 18.413 -11.898 1.00 0.67 H new ATOM 0 HA MET A 137 1.809 18.693 -9.863 1.00 0.71 H new ATOM 0 HB2 MET A 137 2.888 19.947 -12.297 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.136 19.945 -12.365 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.796 20.969 -10.003 1.00 0.99 H new ATOM 0 HG3 MET A 137 2.030 21.988 -11.206 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.363 21.697 -7.456 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.434 20.294 -7.687 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.969 21.915 -8.191 1.00 0.53 H new ATOM 752 N LYS A 138 0.925 17.131 -12.614 1.00 0.76 N ATOM 753 CA LYS A 138 -0.164 16.261 -13.144 1.00 0.82 C ATOM 754 C LYS A 138 -0.530 15.195 -12.109 1.00 0.72 C ATOM 755 O LYS A 138 -1.622 15.182 -11.577 1.00 0.84 O ATOM 756 CB LYS A 138 0.420 15.608 -14.398 1.00 0.99 C ATOM 757 CG LYS A 138 0.186 16.518 -15.605 1.00 1.57 C ATOM 758 CD LYS A 138 1.145 16.129 -16.732 1.00 2.09 C ATOM 759 CE LYS A 138 1.866 17.378 -17.245 1.00 2.74 C ATOM 760 NZ LYS A 138 1.098 17.795 -18.451 1.00 3.43 N ATOM 0 H LYS A 138 1.725 17.254 -13.234 1.00 0.76 H new ATOM 0 HA LYS A 138 -1.072 16.823 -13.364 1.00 0.82 H new ATOM 0 HB2 LYS A 138 1.487 15.431 -14.265 1.00 0.99 H new ATOM 0 HB3 LYS A 138 -0.046 14.637 -14.566 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -0.846 16.430 -15.945 1.00 1.57 H new ATOM 0 HG3 LYS A 138 0.342 17.560 -15.324 1.00 1.57 H new ATOM 0 HD2 LYS A 138 1.871 15.400 -16.371 1.00 2.09 H new ATOM 0 HD3 LYS A 138 0.594 15.655 -17.544 1.00 2.09 H new ATOM 0 HE2 LYS A 138 1.877 18.166 -16.492 1.00 2.74 H new ATOM 0 HE3 LYS A 138 2.905 17.161 -17.494 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 1.531 18.647 -18.861 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 1.111 17.028 -19.153 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 0.115 18.002 -18.182 1.00 3.43 H new ATOM 774 N ASP A 139 0.378 14.305 -11.816 1.00 0.75 N ATOM 775 CA ASP A 139 0.084 13.246 -10.811 1.00 0.78 C ATOM 776 C ASP A 139 0.001 13.866 -9.414 1.00 0.70 C ATOM 777 O ASP A 139 -0.932 13.630 -8.673 1.00 0.81 O ATOM 778 CB ASP A 139 1.262 12.274 -10.899 1.00 0.97 C ATOM 779 CG ASP A 139 1.384 11.747 -12.330 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.656 10.827 -12.665 1.00 1.69 O ATOM 781 OD2 ASP A 139 2.203 12.272 -13.066 1.00 1.66 O ATOM 0 H ASP A 139 1.310 14.266 -12.229 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.866 12.746 -10.999 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.184 12.776 -10.605 1.00 0.97 H new ATOM 0 HB3 ASP A 139 1.116 11.445 -10.206 1.00 0.97 H new ATOM 786 N GLY A 140 0.970 14.663 -9.053 1.00 0.64 N ATOM 787 CA GLY A 140 0.945 15.302 -7.707 1.00 0.62 C ATOM 788 C GLY A 140 -0.381 16.040 -7.525 1.00 0.57 C ATOM 789 O GLY A 140 -0.908 16.133 -6.434 1.00 0.65 O ATOM 0 H GLY A 140 1.777 14.899 -9.631 1.00 0.64 H new ATOM 0 HA2 GLY A 140 1.064 14.546 -6.930 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.779 15.997 -7.606 1.00 0.62 H new ATOM 793 N ASP A 141 -0.927 16.562 -8.589 1.00 0.56 N ATOM 794 CA ASP A 141 -2.223 17.290 -8.484 1.00 0.56 C ATOM 795 C ASP A 141 -3.170 16.839 -9.598 1.00 0.58 C ATOM 796 O ASP A 141 -3.678 17.640 -10.357 1.00 0.64 O ATOM 797 CB ASP A 141 -1.866 18.767 -8.651 1.00 0.60 C ATOM 798 CG ASP A 141 -2.312 19.543 -7.411 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.359 19.216 -6.878 1.00 1.14 O ATOM 800 OD2 ASP A 141 -1.599 20.450 -7.015 1.00 1.23 O ATOM 0 H ASP A 141 -0.531 16.516 -9.528 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.728 17.099 -7.537 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.791 18.878 -8.796 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.351 19.171 -9.540 1.00 0.60 H new ATOM 805 N LYS A 142 -3.412 15.561 -9.703 1.00 0.62 N ATOM 806 CA LYS A 142 -4.326 15.061 -10.769 1.00 0.70 C ATOM 807 C LYS A 142 -5.665 15.802 -10.708 1.00 0.79 C ATOM 808 O LYS A 142 -6.422 15.815 -11.659 1.00 0.92 O ATOM 809 CB LYS A 142 -4.514 13.575 -10.462 1.00 0.79 C ATOM 810 CG LYS A 142 -3.232 12.817 -10.814 1.00 0.88 C ATOM 811 CD LYS A 142 -3.482 11.311 -10.709 1.00 1.37 C ATOM 812 CE LYS A 142 -4.170 10.816 -11.984 1.00 1.79 C ATOM 813 NZ LYS A 142 -3.277 9.748 -12.512 1.00 2.44 N ATOM 0 H LYS A 142 -3.017 14.842 -9.097 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.924 15.221 -11.769 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.753 13.438 -9.407 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.353 13.178 -11.033 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -2.911 13.073 -11.824 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.427 13.110 -10.140 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -2.539 10.784 -10.565 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -4.104 11.095 -9.840 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -5.166 10.428 -11.770 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -4.291 11.623 -12.707 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -3.682 9.359 -13.387 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -2.338 10.148 -12.713 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -3.187 8.990 -11.805 1.00 2.44 H new ATOM 827 N ASN A 143 -5.962 16.423 -9.598 1.00 0.80 N ATOM 828 CA ASN A 143 -7.250 17.166 -9.480 1.00 0.95 C ATOM 829 C ASN A 143 -7.173 18.478 -10.266 1.00 0.92 C ATOM 830 O ASN A 143 -8.178 19.067 -10.611 1.00 1.08 O ATOM 831 CB ASN A 143 -7.412 17.442 -7.985 1.00 1.07 C ATOM 832 CG ASN A 143 -8.573 18.414 -7.768 1.00 1.36 C ATOM 833 OD1 ASN A 143 -9.489 18.473 -8.564 1.00 1.95 O ATOM 834 ND2 ASN A 143 -8.574 19.185 -6.715 1.00 1.70 N ATOM 0 H ASN A 143 -5.369 16.448 -8.769 1.00 0.80 H new ATOM 0 HA ASN A 143 -8.093 16.604 -9.882 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.599 16.511 -7.451 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -6.491 17.862 -7.580 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -9.343 19.837 -6.561 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -7.805 19.136 -6.046 1.00 1.70 H new ATOM 841 N ASN A 144 -5.985 18.937 -10.553 1.00 0.86 N ATOM 842 CA ASN A 144 -5.839 20.210 -11.319 1.00 0.93 C ATOM 843 C ASN A 144 -6.509 21.364 -10.570 1.00 1.03 C ATOM 844 O ASN A 144 -7.453 21.962 -11.047 1.00 1.71 O ATOM 845 CB ASN A 144 -6.543 19.954 -12.652 1.00 1.08 C ATOM 846 CG ASN A 144 -6.142 21.034 -13.658 1.00 1.49 C ATOM 847 OD1 ASN A 144 -5.360 20.787 -14.555 1.00 2.18 O ATOM 848 ND2 ASN A 144 -6.649 22.232 -13.548 1.00 1.97 N ATOM 0 H ASN A 144 -5.109 18.486 -10.291 1.00 0.86 H new ATOM 0 HA ASN A 144 -4.794 20.489 -11.456 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -6.274 18.969 -13.034 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -7.624 19.957 -12.511 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -6.389 22.959 -14.214 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -7.305 22.441 -12.796 1.00 1.97 H new ATOM 855 N ASP A 145 -6.026 21.685 -9.400 1.00 0.88 N ATOM 856 CA ASP A 145 -6.634 22.803 -8.621 1.00 0.92 C ATOM 857 C ASP A 145 -5.573 23.860 -8.302 1.00 0.91 C ATOM 858 O ASP A 145 -5.878 25.018 -8.098 1.00 1.07 O ATOM 859 CB ASP A 145 -7.152 22.157 -7.336 1.00 0.93 C ATOM 860 CG ASP A 145 -5.975 21.592 -6.538 1.00 1.40 C ATOM 861 OD1 ASP A 145 -5.337 20.675 -7.030 1.00 2.06 O ATOM 862 OD2 ASP A 145 -5.731 22.087 -5.450 1.00 1.89 O ATOM 0 H ASP A 145 -5.237 21.222 -8.950 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.429 23.306 -9.171 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.691 22.892 -6.738 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -7.858 21.362 -7.575 1.00 0.93 H new ATOM 867 N GLY A 146 -4.328 23.469 -8.260 1.00 0.84 N ATOM 868 CA GLY A 146 -3.249 24.452 -7.956 1.00 0.92 C ATOM 869 C GLY A 146 -2.657 24.159 -6.575 1.00 0.66 C ATOM 870 O GLY A 146 -1.803 24.874 -6.093 1.00 0.74 O ATOM 0 H GLY A 146 -4.012 22.513 -8.423 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.469 24.397 -8.716 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.649 25.466 -7.983 1.00 0.92 H new ATOM 874 N ARG A 147 -3.104 23.113 -5.933 1.00 0.56 N ATOM 875 CA ARG A 147 -2.562 22.783 -4.583 1.00 0.54 C ATOM 876 C ARG A 147 -2.390 21.269 -4.432 1.00 0.46 C ATOM 877 O ARG A 147 -3.301 20.503 -4.676 1.00 0.45 O ATOM 878 CB ARG A 147 -3.613 23.301 -3.599 1.00 0.77 C ATOM 879 CG ARG A 147 -3.552 24.828 -3.539 1.00 1.39 C ATOM 880 CD ARG A 147 -4.829 25.366 -2.889 1.00 1.79 C ATOM 881 NE ARG A 147 -4.454 25.640 -1.475 1.00 2.55 N ATOM 882 CZ ARG A 147 -3.658 26.636 -1.188 1.00 2.87 C ATOM 883 NH1 ARG A 147 -3.191 27.398 -2.140 1.00 3.10 N ATOM 884 NH2 ARG A 147 -3.329 26.870 0.053 1.00 3.37 N ATOM 0 H ARG A 147 -3.818 22.475 -6.283 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.583 23.231 -4.413 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.607 22.979 -3.910 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.437 22.881 -2.609 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -2.679 25.145 -2.968 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -3.442 25.238 -4.543 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -5.175 26.271 -3.388 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -5.639 24.639 -2.949 1.00 1.79 H new ATOM 0 HE ARG A 147 -4.819 25.049 -0.728 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -3.447 27.217 -3.110 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -2.570 28.175 -1.913 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -3.693 26.276 0.798 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -2.708 27.647 0.278 1.00 3.37 H new ATOM 898 N ILE A 148 -1.229 20.833 -4.023 1.00 0.49 N ATOM 899 CA ILE A 148 -1.000 19.369 -3.847 1.00 0.44 C ATOM 900 C ILE A 148 -1.329 18.961 -2.408 1.00 0.46 C ATOM 901 O ILE A 148 -0.733 19.443 -1.466 1.00 0.63 O ATOM 902 CB ILE A 148 0.487 19.163 -4.137 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.736 19.291 -5.642 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.910 17.770 -3.668 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.199 18.961 -5.950 1.00 0.63 C ATOM 0 H ILE A 148 -0.429 21.427 -3.803 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.628 18.767 -4.504 1.00 0.44 H new ATOM 0 HB ILE A 148 1.068 19.917 -3.607 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.077 18.616 -6.189 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.503 20.302 -5.975 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.970 17.623 -3.875 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.733 17.677 -2.596 1.00 0.47 H new ATOM 0 HG23 ILE A 148 0.329 17.016 -4.198 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.375 19.053 -7.022 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.849 19.654 -5.415 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.417 17.941 -5.632 1.00 0.63 H new ATOM 917 N ASP A 149 -2.278 18.082 -2.227 1.00 0.48 N ATOM 918 CA ASP A 149 -2.644 17.657 -0.845 1.00 0.53 C ATOM 919 C ASP A 149 -2.135 16.241 -0.561 1.00 0.53 C ATOM 920 O ASP A 149 -1.794 15.499 -1.461 1.00 0.63 O ATOM 921 CB ASP A 149 -4.172 17.694 -0.813 1.00 0.58 C ATOM 922 CG ASP A 149 -4.727 16.926 -2.015 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.923 15.729 -1.889 1.00 1.84 O ATOM 924 OD2 ASP A 149 -4.946 17.549 -3.041 1.00 1.65 O ATOM 0 H ASP A 149 -2.814 17.641 -2.974 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.201 18.304 -0.088 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.538 17.253 0.114 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.522 18.726 -0.834 1.00 0.58 H new ATOM 929 N TYR A 150 -2.083 15.863 0.688 1.00 0.58 N ATOM 930 CA TYR A 150 -1.600 14.496 1.042 1.00 0.60 C ATOM 931 C TYR A 150 -2.362 13.441 0.236 1.00 0.59 C ATOM 932 O TYR A 150 -1.782 12.522 -0.306 1.00 0.63 O ATOM 933 CB TYR A 150 -1.897 14.352 2.536 1.00 0.73 C ATOM 934 CG TYR A 150 -1.530 12.962 2.998 1.00 0.72 C ATOM 935 CD1 TYR A 150 -2.351 11.875 2.673 1.00 1.22 C ATOM 936 CD2 TYR A 150 -0.369 12.760 3.756 1.00 1.15 C ATOM 937 CE1 TYR A 150 -2.012 10.587 3.106 1.00 1.56 C ATOM 938 CE2 TYR A 150 -0.031 11.472 4.188 1.00 1.43 C ATOM 939 CZ TYR A 150 -0.852 10.386 3.863 1.00 1.48 C ATOM 940 OH TYR A 150 -0.518 9.117 4.290 1.00 1.96 O ATOM 0 H TYR A 150 -2.355 16.444 1.481 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.542 14.358 0.820 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.333 15.094 3.102 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.953 14.541 2.726 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -3.246 12.030 2.088 1.00 1.22 H new ATOM 0 HD2 TYR A 150 0.265 13.598 4.007 1.00 1.15 H new ATOM 0 HE1 TYR A 150 -2.646 9.749 2.856 1.00 1.56 H new ATOM 0 HE2 TYR A 150 0.864 11.316 4.772 1.00 1.43 H new ATOM 0 HH TYR A 150 0.317 9.153 4.802 1.00 1.96 H new ATOM 950 N ASP A 151 -3.659 13.566 0.153 1.00 0.64 N ATOM 951 CA ASP A 151 -4.454 12.569 -0.619 1.00 0.70 C ATOM 952 C ASP A 151 -3.875 12.414 -2.027 1.00 0.63 C ATOM 953 O ASP A 151 -3.720 11.318 -2.527 1.00 0.77 O ATOM 954 CB ASP A 151 -5.868 13.148 -0.678 1.00 0.79 C ATOM 955 CG ASP A 151 -6.881 12.007 -0.778 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.463 10.862 -0.718 1.00 1.83 O ATOM 957 OD2 ASP A 151 -8.059 12.296 -0.912 1.00 1.90 O ATOM 0 H ASP A 151 -4.201 14.314 0.585 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.440 11.581 -0.159 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.065 13.747 0.211 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -5.965 13.812 -1.537 1.00 0.79 H new ATOM 962 N GLU A 152 -3.550 13.503 -2.668 1.00 0.54 N ATOM 963 CA GLU A 152 -2.976 13.414 -4.041 1.00 0.56 C ATOM 964 C GLU A 152 -1.476 13.123 -3.961 1.00 0.52 C ATOM 965 O GLU A 152 -0.841 12.800 -4.946 1.00 0.65 O ATOM 966 CB GLU A 152 -3.224 14.787 -4.666 1.00 0.60 C ATOM 967 CG GLU A 152 -4.375 14.689 -5.668 1.00 0.77 C ATOM 968 CD GLU A 152 -5.037 16.059 -5.820 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.949 16.342 -5.061 1.00 1.17 O ATOM 970 OE2 GLU A 152 -4.622 16.803 -6.693 1.00 1.40 O ATOM 0 H GLU A 152 -3.657 14.449 -2.302 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.427 12.615 -4.629 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.464 15.514 -3.890 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.322 15.140 -5.165 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.003 14.344 -6.633 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.106 13.956 -5.328 1.00 0.77 H new ATOM 977 N PHE A 153 -0.906 13.234 -2.792 1.00 0.46 N ATOM 978 CA PHE A 153 0.553 12.964 -2.642 1.00 0.46 C ATOM 979 C PHE A 153 0.823 11.459 -2.720 1.00 0.50 C ATOM 980 O PHE A 153 1.946 11.029 -2.898 1.00 0.64 O ATOM 981 CB PHE A 153 0.910 13.502 -1.256 1.00 0.49 C ATOM 982 CG PHE A 153 2.402 13.404 -1.046 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.279 13.785 -2.068 1.00 0.62 C ATOM 984 CD2 PHE A 153 2.907 12.932 0.171 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.662 13.693 -1.873 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.290 12.840 0.366 1.00 0.61 C ATOM 987 CZ PHE A 153 5.168 13.220 -0.656 1.00 0.68 C ATOM 0 H PHE A 153 -1.388 13.500 -1.933 1.00 0.46 H new ATOM 0 HA PHE A 153 1.145 13.433 -3.428 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.586 14.539 -1.162 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.386 12.934 -0.488 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.889 14.150 -3.007 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.230 12.639 0.959 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.339 13.987 -2.661 1.00 0.73 H new ATOM 0 HE2 PHE A 153 4.680 12.476 1.305 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.235 13.148 -0.506 1.00 0.68 H new ATOM 997 N LEU A 154 -0.197 10.656 -2.589 1.00 0.53 N ATOM 998 CA LEU A 154 0.003 9.180 -2.657 1.00 0.62 C ATOM 999 C LEU A 154 0.168 8.736 -4.112 1.00 0.65 C ATOM 1000 O LEU A 154 1.249 8.398 -4.549 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.266 8.580 -2.055 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.966 8.076 -0.644 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.211 7.101 -0.691 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.606 9.263 0.252 1.00 1.20 C ATOM 0 H LEU A 154 -1.160 10.957 -2.438 1.00 0.53 H new ATOM 0 HA LEU A 154 0.898 8.860 -2.123 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.058 9.329 -2.025 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.625 7.761 -2.678 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.844 7.568 -0.244 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.426 6.741 0.315 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.041 6.257 -1.332 1.00 1.65 H new ATOM 0 HD13 LEU A 154 1.089 7.609 -1.089 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -0.391 8.906 1.259 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.273 9.768 -0.149 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -1.442 9.961 0.285 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.896 8.740 -4.866 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.796 8.324 -6.294 1.00 0.81 C ATOM 1018 C GLU A 155 0.371 9.051 -6.967 1.00 0.76 C ATOM 1019 O GLU A 155 0.901 8.607 -7.966 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.127 8.742 -6.922 1.00 0.97 C ATOM 1021 CG GLU A 155 -2.224 8.176 -8.339 1.00 1.41 C ATOM 1022 CD GLU A 155 -2.955 6.833 -8.303 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -2.509 5.957 -7.581 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -3.950 6.703 -8.997 1.00 2.57 O ATOM 0 H GLU A 155 -1.829 9.013 -4.556 1.00 0.69 H new ATOM 0 HA GLU A 155 -0.614 7.255 -6.406 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.957 8.378 -6.316 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.204 9.829 -6.947 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -2.756 8.874 -8.985 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -1.227 8.048 -8.760 1.00 1.41 H new ATOM 1031 N PHE A 156 0.773 10.168 -6.423 1.00 0.66 N ATOM 1032 CA PHE A 156 1.904 10.929 -7.023 1.00 0.77 C ATOM 1033 C PHE A 156 3.195 10.108 -6.964 1.00 0.71 C ATOM 1034 O PHE A 156 3.775 9.773 -7.977 1.00 0.88 O ATOM 1035 CB PHE A 156 2.034 12.185 -6.162 1.00 0.84 C ATOM 1036 CG PHE A 156 3.270 12.948 -6.570 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.551 13.151 -7.926 1.00 1.09 C ATOM 1038 CD2 PHE A 156 4.137 13.452 -5.592 1.00 1.49 C ATOM 1039 CE1 PHE A 156 4.698 13.857 -8.306 1.00 1.31 C ATOM 1040 CE2 PHE A 156 5.285 14.158 -5.972 1.00 1.72 C ATOM 1041 CZ PHE A 156 5.565 14.361 -7.328 1.00 1.53 C ATOM 0 H PHE A 156 0.365 10.586 -5.587 1.00 0.66 H new ATOM 0 HA PHE A 156 1.728 11.164 -8.073 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.151 12.813 -6.280 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.093 11.912 -5.108 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.882 12.762 -8.680 1.00 1.09 H new ATOM 0 HD2 PHE A 156 3.920 13.296 -4.546 1.00 1.49 H new ATOM 0 HE1 PHE A 156 4.915 14.013 -9.352 1.00 1.31 H new ATOM 0 HE2 PHE A 156 5.954 14.546 -5.218 1.00 1.72 H new ATOM 0 HZ PHE A 156 6.450 14.907 -7.621 1.00 1.53 H new ATOM 1051 N MET A 157 3.651 9.784 -5.784 1.00 0.61 N ATOM 1052 CA MET A 157 4.906 8.988 -5.666 1.00 0.69 C ATOM 1053 C MET A 157 4.577 7.500 -5.526 1.00 0.83 C ATOM 1054 O MET A 157 5.371 6.645 -5.866 1.00 1.17 O ATOM 1055 CB MET A 157 5.593 9.515 -4.403 1.00 0.84 C ATOM 1056 CG MET A 157 4.898 8.950 -3.161 1.00 0.92 C ATOM 1057 SD MET A 157 4.892 10.199 -1.850 1.00 1.56 S ATOM 1058 CE MET A 157 6.666 10.557 -1.866 1.00 0.90 C ATOM 0 H MET A 157 3.210 10.035 -4.899 1.00 0.61 H new ATOM 0 HA MET A 157 5.544 9.087 -6.544 1.00 0.69 H new ATOM 0 HB2 MET A 157 6.645 9.229 -4.404 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.558 10.604 -4.387 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.876 8.658 -3.404 1.00 0.92 H new ATOM 0 HG3 MET A 157 5.413 8.052 -2.820 1.00 0.92 H new ATOM 0 HE1 MET A 157 6.948 11.041 -0.931 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.224 9.627 -1.976 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.896 11.219 -2.701 1.00 0.90 H new ATOM 1068 N LYS A 158 3.415 7.183 -5.025 1.00 0.86 N ATOM 1069 CA LYS A 158 3.043 5.749 -4.862 1.00 1.07 C ATOM 1070 C LYS A 158 4.097 5.033 -4.014 1.00 1.36 C ATOM 1071 O LYS A 158 3.968 4.916 -2.812 1.00 1.73 O ATOM 1072 CB LYS A 158 3.024 5.184 -6.283 1.00 1.28 C ATOM 1073 CG LYS A 158 1.603 5.254 -6.847 1.00 1.66 C ATOM 1074 CD LYS A 158 1.567 4.582 -8.221 1.00 2.24 C ATOM 1075 CE LYS A 158 0.114 4.399 -8.666 1.00 2.85 C ATOM 1076 NZ LYS A 158 -0.030 5.262 -9.872 1.00 3.52 N ATOM 0 H LYS A 158 2.708 7.853 -4.722 1.00 0.86 H new ATOM 0 HA LYS A 158 2.084 5.620 -4.360 1.00 1.07 H new ATOM 0 HB2 LYS A 158 3.706 5.749 -6.918 1.00 1.28 H new ATOM 0 HB3 LYS A 158 3.374 4.152 -6.279 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.907 4.759 -6.170 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.284 6.293 -6.930 1.00 1.66 H new ATOM 0 HD2 LYS A 158 2.107 5.189 -8.948 1.00 2.24 H new ATOM 0 HD3 LYS A 158 2.069 3.615 -8.177 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -0.099 3.356 -8.899 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -0.580 4.698 -7.881 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.001 5.190 -10.236 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 0.172 6.250 -9.618 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 0.638 4.949 -10.605 1.00 3.52 H new