USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 LYS NZ :NH3+ -162:sc= 1.38 (180deg=-0.858) USER MOD Set 1.2: A 87 SER OG : rot 154:sc= 1.1 USER MOD Set 2.1: A 11 HIS : no HD1:sc= -0.277 K(o=-0.9,f=-2.6) USER MOD Set 2.2: A 37 MET CE :methyl -171:sc= -0.623 (180deg=-0.739) USER MOD Set 3.1: A 36 CYS SG : rot 180:sc= 0.081 USER MOD Set 3.2: A 78 ASN : amide:sc= -0.891 K(o=-0.81,f=-4.4!) USER MOD Set 4.1: A 18 MET CE :methyl -112:sc= -1.34 (180deg=-1.79) USER MOD Set 4.2: A 33 HIS :FLIP no HD1:sc= -0.0541 F(o=-1.6,f=-0.69) USER MOD Set 4.3: A 81 THR OG1 : rot 66:sc= 0.711 USER MOD Single : A 8 LYS NZ :NH3+ -130:sc= 0.729 (180deg=-1.14!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.217 USER MOD Single : A 16 SER OG : rot 140:sc= 0.0202 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -169:sc=-0.00703 (180deg=-0.119) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -92:sc= 0.87 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.0796 F(o=-0.61,f=-0.08) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00387 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -159:sc= 1.45 USER MOD Single : A 48 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.011) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 161:sc= -4.59! (180deg=-5.85!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 50:sc= 0.535 USER MOD Single : A 70 ASN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.15) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 156:sc= -0.385 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 162:sc= -0.119 (180deg=-0.59) USER MOD Single : A 97 ASN :FLIP amide:sc=-0.00886 F(o=-0.99,f=-0.0089) USER MOD Single : A 101 LYS NZ :NH3+ -107:sc= 0.691 (180deg=0.0315) USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 7 13.992 1.941 2.505 1.00 52.43 N ATOM 86 CA PHE A 7 13.624 1.254 1.286 1.00 54.52 C ATOM 87 C PHE A 7 13.215 2.228 0.197 1.00 11.31 C ATOM 88 O PHE A 7 12.658 3.295 0.458 1.00 60.50 O ATOM 89 CB PHE A 7 12.507 0.260 1.573 1.00 70.40 C ATOM 90 CG PHE A 7 12.865 -0.709 2.663 1.00 23.14 C ATOM 91 CD1 PHE A 7 13.723 -1.766 2.409 1.00 34.01 C ATOM 92 CD2 PHE A 7 12.363 -0.552 3.943 1.00 62.20 C ATOM 93 CE1 PHE A 7 14.071 -2.650 3.411 1.00 61.13 C ATOM 94 CE2 PHE A 7 12.709 -1.430 4.949 1.00 2.45 C ATOM 95 CZ PHE A 7 13.565 -2.480 4.683 1.00 2.14 C ATOM 0 HA PHE A 7 14.497 0.713 0.921 1.00 54.52 H new ATOM 0 HB2 PHE A 7 11.605 0.803 1.856 1.00 70.40 H new ATOM 0 HB3 PHE A 7 12.274 -0.292 0.663 1.00 70.40 H new ATOM 0 HD1 PHE A 7 14.125 -1.900 1.416 1.00 34.01 H new ATOM 0 HD2 PHE A 7 11.693 0.267 4.157 1.00 62.20 H new ATOM 0 HE1 PHE A 7 14.738 -3.473 3.199 1.00 61.13 H new ATOM 0 HE2 PHE A 7 12.311 -1.296 5.944 1.00 2.45 H new ATOM 0 HZ PHE A 7 13.838 -3.167 5.470 1.00 2.14 H new ATOM 105 N LYS A 8 13.498 1.835 -1.024 1.00 23.22 N ATOM 106 CA LYS A 8 13.365 2.712 -2.169 1.00 44.03 C ATOM 107 C LYS A 8 11.988 2.615 -2.811 1.00 14.12 C ATOM 108 O LYS A 8 11.547 3.531 -3.502 1.00 53.33 O ATOM 109 CB LYS A 8 14.447 2.387 -3.203 1.00 4.23 C ATOM 110 CG LYS A 8 14.378 0.992 -3.827 1.00 24.13 C ATOM 111 CD LYS A 8 14.918 -0.096 -2.905 1.00 62.13 C ATOM 112 CE LYS A 8 14.942 -1.457 -3.593 1.00 64.44 C ATOM 113 NZ LYS A 8 15.230 -2.561 -2.636 1.00 5.21 N ATOM 0 H LYS A 8 13.827 0.897 -1.253 1.00 23.22 H new ATOM 0 HA LYS A 8 13.488 3.735 -1.813 1.00 44.03 H new ATOM 0 HB2 LYS A 8 14.391 3.125 -4.003 1.00 4.23 H new ATOM 0 HB3 LYS A 8 15.422 2.504 -2.729 1.00 4.23 H new ATOM 0 HG2 LYS A 8 13.343 0.764 -4.083 1.00 24.13 H new ATOM 0 HG3 LYS A 8 14.945 0.987 -4.758 1.00 24.13 H new ATOM 0 HD2 LYS A 8 15.926 0.167 -2.583 1.00 62.13 H new ATOM 0 HD3 LYS A 8 14.301 -0.152 -2.008 1.00 62.13 H new ATOM 0 HE2 LYS A 8 13.981 -1.637 -4.075 1.00 64.44 H new ATOM 0 HE3 LYS A 8 15.697 -1.453 -4.379 1.00 64.44 H new ATOM 0 HZ1 LYS A 8 15.994 -3.157 -3.013 1.00 5.21 H new ATOM 0 HZ2 LYS A 8 15.523 -2.161 -1.722 1.00 5.21 H new ATOM 0 HZ3 LYS A 8 14.375 -3.137 -2.503 1.00 5.21 H new ATOM 127 N SER A 9 11.316 1.512 -2.580 1.00 53.00 N ATOM 128 CA SER A 9 10.035 1.255 -3.232 1.00 51.10 C ATOM 129 C SER A 9 8.928 0.991 -2.218 1.00 53.05 C ATOM 130 O SER A 9 9.197 0.703 -1.048 1.00 22.54 O ATOM 131 CB SER A 9 10.181 0.083 -4.199 1.00 4.21 C ATOM 132 OG SER A 9 11.242 0.316 -5.114 1.00 54.04 O ATOM 0 H SER A 9 11.627 0.774 -1.948 1.00 53.00 H new ATOM 0 HA SER A 9 9.748 2.147 -3.789 1.00 51.10 H new ATOM 0 HB2 SER A 9 10.370 -0.834 -3.641 1.00 4.21 H new ATOM 0 HB3 SER A 9 9.249 -0.063 -4.745 1.00 4.21 H new ATOM 0 HG SER A 9 11.321 -0.447 -5.724 1.00 54.04 H new ATOM 138 N PHE A 10 7.687 1.085 -2.683 1.00 32.23 N ATOM 139 CA PHE A 10 6.523 0.935 -1.825 1.00 20.43 C ATOM 140 C PHE A 10 6.417 -0.502 -1.347 1.00 25.31 C ATOM 141 O PHE A 10 6.387 -0.775 -0.148 1.00 62.15 O ATOM 142 CB PHE A 10 5.246 1.310 -2.582 1.00 64.25 C ATOM 143 CG PHE A 10 5.368 2.561 -3.408 1.00 32.10 C ATOM 144 CD1 PHE A 10 5.612 3.785 -2.810 1.00 33.50 C ATOM 145 CD2 PHE A 10 5.239 2.508 -4.785 1.00 41.03 C ATOM 146 CE1 PHE A 10 5.724 4.933 -3.570 1.00 72.51 C ATOM 147 CE2 PHE A 10 5.349 3.653 -5.551 1.00 41.14 C ATOM 148 CZ PHE A 10 5.593 4.868 -4.942 1.00 12.22 C ATOM 0 H PHE A 10 7.463 1.267 -3.661 1.00 32.23 H new ATOM 0 HA PHE A 10 6.638 1.600 -0.969 1.00 20.43 H new ATOM 0 HB2 PHE A 10 4.966 0.482 -3.234 1.00 64.25 H new ATOM 0 HB3 PHE A 10 4.435 1.438 -1.865 1.00 64.25 H new ATOM 0 HD1 PHE A 10 5.716 3.843 -1.737 1.00 33.50 H new ATOM 0 HD2 PHE A 10 5.050 1.560 -5.267 1.00 41.03 H new ATOM 0 HE1 PHE A 10 5.914 5.882 -3.090 1.00 72.51 H new ATOM 0 HE2 PHE A 10 5.244 3.598 -6.624 1.00 41.14 H new ATOM 0 HZ PHE A 10 5.681 5.765 -5.538 1.00 12.22 H new ATOM 158 N HIS A 11 6.399 -1.419 -2.303 1.00 75.41 N ATOM 159 CA HIS A 11 6.292 -2.842 -2.002 1.00 43.15 C ATOM 160 C HIS A 11 7.595 -3.341 -1.399 1.00 15.31 C ATOM 161 O HIS A 11 7.622 -4.353 -0.703 1.00 62.03 O ATOM 162 CB HIS A 11 5.933 -3.636 -3.267 1.00 2.30 C ATOM 163 CG HIS A 11 6.096 -5.121 -3.138 1.00 21.22 C ATOM 164 ND1 HIS A 11 5.191 -5.929 -2.489 1.00 51.43 N ATOM 165 CD2 HIS A 11 7.083 -5.938 -3.570 1.00 22.54 C ATOM 166 CE1 HIS A 11 5.616 -7.178 -2.524 1.00 12.34 C ATOM 167 NE2 HIS A 11 6.764 -7.213 -3.173 1.00 3.52 N ATOM 0 H HIS A 11 6.457 -1.203 -3.298 1.00 75.41 H new ATOM 0 HA HIS A 11 5.493 -2.992 -1.276 1.00 43.15 H new ATOM 0 HB2 HIS A 11 4.899 -3.419 -3.535 1.00 2.30 H new ATOM 0 HB3 HIS A 11 6.556 -3.285 -4.090 1.00 2.30 H new ATOM 0 HD2 HIS A 11 7.961 -5.642 -4.125 1.00 22.54 H new ATOM 0 HE1 HIS A 11 5.109 -8.029 -2.093 1.00 12.34 H new ATOM 0 HE2 HIS A 11 7.322 -8.048 -3.350 1.00 3.52 H new ATOM 176 N ASP A 12 8.663 -2.614 -1.669 1.00 13.14 N ATOM 177 CA ASP A 12 9.968 -2.917 -1.107 1.00 13.45 C ATOM 178 C ASP A 12 9.929 -2.730 0.404 1.00 71.20 C ATOM 179 O ASP A 12 10.367 -3.593 1.165 1.00 40.21 O ATOM 180 CB ASP A 12 11.013 -2.007 -1.749 1.00 24.23 C ATOM 181 CG ASP A 12 12.431 -2.332 -1.346 1.00 44.52 C ATOM 182 OD1 ASP A 12 12.871 -3.472 -1.575 1.00 62.10 O ATOM 183 OD2 ASP A 12 13.127 -1.427 -0.846 1.00 71.31 O ATOM 0 H ASP A 12 8.652 -1.799 -2.282 1.00 13.14 H new ATOM 0 HA ASP A 12 10.236 -3.953 -1.314 1.00 13.45 H new ATOM 0 HB2 ASP A 12 10.927 -2.079 -2.833 1.00 24.23 H new ATOM 0 HB3 ASP A 12 10.796 -0.973 -1.480 1.00 24.23 H new ATOM 188 N PHE A 13 9.357 -1.609 0.829 1.00 32.41 N ATOM 189 CA PHE A 13 9.150 -1.337 2.245 1.00 63.30 C ATOM 190 C PHE A 13 8.143 -2.333 2.819 1.00 73.42 C ATOM 191 O PHE A 13 8.345 -2.889 3.901 1.00 2.25 O ATOM 192 CB PHE A 13 8.645 0.101 2.432 1.00 71.14 C ATOM 193 CG PHE A 13 8.658 0.587 3.857 1.00 15.31 C ATOM 194 CD1 PHE A 13 7.667 0.208 4.749 1.00 51.32 C ATOM 195 CD2 PHE A 13 9.661 1.435 4.300 1.00 25.13 C ATOM 196 CE1 PHE A 13 7.678 0.660 6.055 1.00 42.13 C ATOM 197 CE2 PHE A 13 9.676 1.894 5.603 1.00 70.24 C ATOM 198 CZ PHE A 13 8.683 1.506 6.482 1.00 52.43 C ATOM 0 H PHE A 13 9.027 -0.870 0.208 1.00 32.41 H new ATOM 0 HA PHE A 13 10.096 -1.447 2.776 1.00 63.30 H new ATOM 0 HB2 PHE A 13 9.258 0.769 1.828 1.00 71.14 H new ATOM 0 HB3 PHE A 13 7.627 0.168 2.048 1.00 71.14 H new ATOM 0 HD1 PHE A 13 6.876 -0.449 4.419 1.00 51.32 H new ATOM 0 HD2 PHE A 13 10.441 1.741 3.618 1.00 25.13 H new ATOM 0 HE1 PHE A 13 6.902 0.352 6.740 1.00 42.13 H new ATOM 0 HE2 PHE A 13 10.463 2.555 5.934 1.00 70.24 H new ATOM 0 HZ PHE A 13 8.693 1.864 7.501 1.00 52.43 H new ATOM 208 N VAL A 14 7.062 -2.555 2.070 1.00 1.30 N ATOM 209 CA VAL A 14 6.016 -3.491 2.469 1.00 23.14 C ATOM 210 C VAL A 14 6.579 -4.888 2.720 1.00 25.23 C ATOM 211 O VAL A 14 6.307 -5.486 3.753 1.00 15.33 O ATOM 212 CB VAL A 14 4.894 -3.583 1.405 1.00 53.54 C ATOM 213 CG1 VAL A 14 3.930 -4.717 1.721 1.00 54.01 C ATOM 214 CG2 VAL A 14 4.139 -2.269 1.304 1.00 62.53 C ATOM 0 H VAL A 14 6.890 -2.094 1.177 1.00 1.30 H new ATOM 0 HA VAL A 14 5.595 -3.103 3.397 1.00 23.14 H new ATOM 0 HB VAL A 14 5.365 -3.791 0.444 1.00 53.54 H new ATOM 0 HG11 VAL A 14 3.153 -4.758 0.957 1.00 54.01 H new ATOM 0 HG12 VAL A 14 4.473 -5.662 1.737 1.00 54.01 H new ATOM 0 HG13 VAL A 14 3.472 -4.545 2.695 1.00 54.01 H new ATOM 0 HG21 VAL A 14 3.356 -2.356 0.551 1.00 62.53 H new ATOM 0 HG22 VAL A 14 3.690 -2.032 2.269 1.00 62.53 H new ATOM 0 HG23 VAL A 14 4.829 -1.474 1.020 1.00 62.53 H new ATOM 224 N ALA A 15 7.377 -5.387 1.782 1.00 54.21 N ATOM 225 CA ALA A 15 7.889 -6.751 1.851 1.00 41.53 C ATOM 226 C ALA A 15 8.696 -6.987 3.121 1.00 3.41 C ATOM 227 O ALA A 15 8.491 -7.980 3.818 1.00 54.10 O ATOM 228 CB ALA A 15 8.734 -7.065 0.626 1.00 41.24 C ATOM 0 H ALA A 15 7.684 -4.865 0.962 1.00 54.21 H new ATOM 0 HA ALA A 15 7.030 -7.422 1.873 1.00 41.53 H new ATOM 0 HB1 ALA A 15 9.108 -8.087 0.694 1.00 41.24 H new ATOM 0 HB2 ALA A 15 8.126 -6.960 -0.272 1.00 41.24 H new ATOM 0 HB3 ALA A 15 9.575 -6.373 0.577 1.00 41.24 H new ATOM 234 N SER A 16 9.601 -6.068 3.424 1.00 0.11 N ATOM 235 CA SER A 16 10.465 -6.201 4.588 1.00 13.44 C ATOM 236 C SER A 16 9.651 -6.171 5.880 1.00 55.22 C ATOM 237 O SER A 16 9.896 -6.956 6.800 1.00 15.41 O ATOM 238 CB SER A 16 11.509 -5.086 4.591 1.00 51.22 C ATOM 239 OG SER A 16 12.456 -5.267 5.633 1.00 43.33 O ATOM 0 H SER A 16 9.756 -5.220 2.879 1.00 0.11 H new ATOM 0 HA SER A 16 10.972 -7.164 4.533 1.00 13.44 H new ATOM 0 HB2 SER A 16 12.023 -5.064 3.630 1.00 51.22 H new ATOM 0 HB3 SER A 16 11.014 -4.122 4.710 1.00 51.22 H new ATOM 0 HG SER A 16 13.351 -5.039 5.305 1.00 43.33 H new ATOM 245 N TYR A 17 8.674 -5.277 5.936 1.00 41.33 N ATOM 246 CA TYR A 17 7.831 -5.145 7.115 1.00 63.01 C ATOM 247 C TYR A 17 6.887 -6.338 7.230 1.00 4.13 C ATOM 248 O TYR A 17 6.723 -6.914 8.306 1.00 25.14 O ATOM 249 CB TYR A 17 7.036 -3.836 7.049 1.00 13.22 C ATOM 250 CG TYR A 17 6.154 -3.584 8.257 1.00 20.42 C ATOM 251 CD1 TYR A 17 6.695 -3.138 9.458 1.00 44.21 C ATOM 252 CD2 TYR A 17 4.780 -3.788 8.193 1.00 41.12 C ATOM 253 CE1 TYR A 17 5.892 -2.903 10.559 1.00 3.10 C ATOM 254 CE2 TYR A 17 3.972 -3.554 9.290 1.00 22.30 C ATOM 255 CZ TYR A 17 4.533 -3.112 10.469 1.00 52.41 C ATOM 256 OH TYR A 17 3.729 -2.876 11.564 1.00 43.45 O ATOM 0 H TYR A 17 8.446 -4.633 5.179 1.00 41.33 H new ATOM 0 HA TYR A 17 8.466 -5.124 8.000 1.00 63.01 H new ATOM 0 HB2 TYR A 17 7.733 -3.005 6.942 1.00 13.22 H new ATOM 0 HB3 TYR A 17 6.414 -3.846 6.154 1.00 13.22 H new ATOM 0 HD1 TYR A 17 7.760 -2.972 9.532 1.00 44.21 H new ATOM 0 HD2 TYR A 17 4.337 -4.135 7.271 1.00 41.12 H new ATOM 0 HE1 TYR A 17 6.328 -2.557 11.485 1.00 3.10 H new ATOM 0 HE2 TYR A 17 2.906 -3.717 9.224 1.00 22.30 H new ATOM 0 HH TYR A 17 2.797 -3.071 11.333 1.00 43.45 H new ATOM 266 N MET A 18 6.292 -6.714 6.108 1.00 54.13 N ATOM 267 CA MET A 18 5.329 -7.804 6.067 1.00 73.52 C ATOM 268 C MET A 18 6.007 -9.141 6.343 1.00 11.22 C ATOM 269 O MET A 18 5.375 -10.068 6.835 1.00 30.21 O ATOM 270 CB MET A 18 4.603 -7.826 4.722 1.00 51.31 C ATOM 271 CG MET A 18 3.403 -8.754 4.688 1.00 35.43 C ATOM 272 SD MET A 18 2.284 -8.377 3.324 1.00 34.32 S ATOM 273 CE MET A 18 1.751 -6.726 3.779 1.00 33.22 C ATOM 0 H MET A 18 6.462 -6.274 5.204 1.00 54.13 H new ATOM 0 HA MET A 18 4.590 -7.637 6.851 1.00 73.52 H new ATOM 0 HB2 MET A 18 4.275 -6.815 4.480 1.00 51.31 H new ATOM 0 HB3 MET A 18 5.306 -8.128 3.945 1.00 51.31 H new ATOM 0 HG2 MET A 18 3.746 -9.785 4.599 1.00 35.43 H new ATOM 0 HG3 MET A 18 2.861 -8.678 5.631 1.00 35.43 H new ATOM 0 HE1 MET A 18 0.695 -6.746 4.050 1.00 33.22 H new ATOM 0 HE2 MET A 18 2.337 -6.376 4.628 1.00 33.22 H new ATOM 0 HE3 MET A 18 1.896 -6.051 2.935 1.00 33.22 H new ATOM 283 N LYS A 19 7.288 -9.243 6.005 1.00 64.42 N ATOM 284 CA LYS A 19 8.074 -10.438 6.310 1.00 52.24 C ATOM 285 C LYS A 19 7.954 -10.785 7.797 1.00 11.34 C ATOM 286 O LYS A 19 7.783 -11.950 8.163 1.00 33.12 O ATOM 287 CB LYS A 19 9.538 -10.209 5.907 1.00 52.40 C ATOM 288 CG LYS A 19 10.412 -11.455 5.955 1.00 54.54 C ATOM 289 CD LYS A 19 10.960 -11.704 7.347 1.00 42.01 C ATOM 290 CE LYS A 19 11.771 -12.981 7.406 1.00 41.24 C ATOM 291 NZ LYS A 19 10.930 -14.191 7.220 1.00 42.44 N ATOM 0 H LYS A 19 7.807 -8.512 5.519 1.00 64.42 H new ATOM 0 HA LYS A 19 7.688 -11.283 5.739 1.00 52.24 H new ATOM 0 HB2 LYS A 19 9.563 -9.802 4.896 1.00 52.40 H new ATOM 0 HB3 LYS A 19 9.968 -9.454 6.565 1.00 52.40 H new ATOM 0 HG2 LYS A 19 9.831 -12.319 5.633 1.00 54.54 H new ATOM 0 HG3 LYS A 19 11.239 -11.347 5.253 1.00 54.54 H new ATOM 0 HD2 LYS A 19 11.583 -10.862 7.649 1.00 42.01 H new ATOM 0 HD3 LYS A 19 10.136 -11.762 8.058 1.00 42.01 H new ATOM 0 HE2 LYS A 19 12.542 -12.955 6.636 1.00 41.24 H new ATOM 0 HE3 LYS A 19 12.282 -13.040 8.367 1.00 41.24 H new ATOM 0 HZ1 LYS A 19 11.486 -15.039 7.451 1.00 42.44 H new ATOM 0 HZ2 LYS A 19 10.102 -14.138 7.847 1.00 42.44 H new ATOM 0 HZ3 LYS A 19 10.612 -14.244 6.231 1.00 42.44 H new ATOM 305 N THR A 20 8.022 -9.772 8.647 1.00 21.35 N ATOM 306 CA THR A 20 7.851 -9.963 10.080 1.00 70.00 C ATOM 307 C THR A 20 6.365 -9.924 10.452 1.00 63.13 C ATOM 308 O THR A 20 5.882 -10.728 11.253 1.00 60.03 O ATOM 309 CB THR A 20 8.608 -8.874 10.862 1.00 24.13 C ATOM 310 OG1 THR A 20 9.963 -8.791 10.391 1.00 75.32 O ATOM 311 CG2 THR A 20 8.604 -9.172 12.354 1.00 32.51 C ATOM 0 H THR A 20 8.195 -8.806 8.369 1.00 21.35 H new ATOM 0 HA THR A 20 8.258 -10.939 10.344 1.00 70.00 H new ATOM 0 HB THR A 20 8.103 -7.922 10.699 1.00 24.13 H new ATOM 0 HG1 THR A 20 10.441 -8.096 10.890 1.00 75.32 H new ATOM 0 HG21 THR A 20 9.145 -8.388 12.883 1.00 32.51 H new ATOM 0 HG22 THR A 20 7.576 -9.210 12.715 1.00 32.51 H new ATOM 0 HG23 THR A 20 9.088 -10.132 12.535 1.00 32.51 H new ATOM 319 N TYR A 21 5.647 -9.000 9.821 1.00 63.04 N ATOM 320 CA TYR A 21 4.224 -8.770 10.076 1.00 64.43 C ATOM 321 C TYR A 21 3.372 -9.992 9.710 1.00 62.21 C ATOM 322 O TYR A 21 2.229 -10.118 10.150 1.00 63.11 O ATOM 323 CB TYR A 21 3.788 -7.533 9.276 1.00 21.21 C ATOM 324 CG TYR A 21 2.324 -7.164 9.378 1.00 45.42 C ATOM 325 CD1 TYR A 21 1.779 -6.690 10.565 1.00 44.43 C ATOM 326 CD2 TYR A 21 1.492 -7.279 8.274 1.00 50.34 C ATOM 327 CE1 TYR A 21 0.441 -6.343 10.646 1.00 4.34 C ATOM 328 CE2 TYR A 21 0.159 -6.929 8.345 1.00 65.22 C ATOM 329 CZ TYR A 21 -0.364 -6.464 9.530 1.00 62.05 C ATOM 330 OH TYR A 21 -1.696 -6.114 9.597 1.00 12.14 O ATOM 0 H TYR A 21 6.038 -8.382 9.110 1.00 63.04 H new ATOM 0 HA TYR A 21 4.072 -8.600 11.142 1.00 64.43 H new ATOM 0 HB2 TYR A 21 4.382 -6.681 9.608 1.00 21.21 H new ATOM 0 HB3 TYR A 21 4.029 -7.699 8.226 1.00 21.21 H new ATOM 0 HD1 TYR A 21 2.408 -6.591 11.437 1.00 44.43 H new ATOM 0 HD2 TYR A 21 1.895 -7.649 7.343 1.00 50.34 H new ATOM 0 HE1 TYR A 21 0.029 -5.980 11.576 1.00 4.34 H new ATOM 0 HE2 TYR A 21 -0.472 -7.020 7.473 1.00 65.22 H new ATOM 0 HH TYR A 21 -2.117 -6.259 8.724 1.00 12.14 H new ATOM 340 N SER A 22 3.945 -10.903 8.931 1.00 62.02 N ATOM 341 CA SER A 22 3.245 -12.105 8.488 1.00 45.23 C ATOM 342 C SER A 22 2.858 -12.993 9.671 1.00 31.03 C ATOM 343 O SER A 22 1.987 -13.848 9.553 1.00 2.43 O ATOM 344 CB SER A 22 4.116 -12.889 7.502 1.00 21.12 C ATOM 345 OG SER A 22 5.341 -13.284 8.102 1.00 42.30 O ATOM 0 H SER A 22 4.903 -10.831 8.590 1.00 62.02 H new ATOM 0 HA SER A 22 2.328 -11.794 7.988 1.00 45.23 H new ATOM 0 HB2 SER A 22 3.576 -13.771 7.157 1.00 21.12 H new ATOM 0 HB3 SER A 22 4.319 -12.275 6.624 1.00 21.12 H new ATOM 0 HG SER A 22 6.023 -12.601 7.932 1.00 42.30 H new ATOM 351 N ARG A 23 3.501 -12.782 10.815 1.00 4.32 N ATOM 352 CA ARG A 23 3.173 -13.531 12.026 1.00 41.32 C ATOM 353 C ARG A 23 1.805 -13.135 12.569 1.00 61.54 C ATOM 354 O ARG A 23 1.268 -13.779 13.466 1.00 30.50 O ATOM 355 CB ARG A 23 4.244 -13.323 13.093 1.00 3.23 C ATOM 356 CG ARG A 23 5.406 -14.290 12.969 1.00 43.02 C ATOM 357 CD ARG A 23 4.966 -15.717 13.270 1.00 23.42 C ATOM 358 NE ARG A 23 6.026 -16.692 13.030 1.00 10.15 N ATOM 359 CZ ARG A 23 6.071 -17.899 13.594 1.00 74.31 C ATOM 360 NH1 ARG A 23 5.157 -18.262 14.487 1.00 41.40 N ATOM 361 NH2 ARG A 23 7.046 -18.737 13.275 1.00 15.11 N ATOM 0 H ARG A 23 4.251 -12.100 10.930 1.00 4.32 H new ATOM 0 HA ARG A 23 3.140 -14.588 11.762 1.00 41.32 H new ATOM 0 HB2 ARG A 23 4.620 -12.302 13.027 1.00 3.23 H new ATOM 0 HB3 ARG A 23 3.792 -13.433 14.079 1.00 3.23 H new ATOM 0 HG2 ARG A 23 5.820 -14.239 11.962 1.00 43.02 H new ATOM 0 HG3 ARG A 23 6.201 -13.999 13.656 1.00 43.02 H new ATOM 0 HD2 ARG A 23 4.645 -15.783 14.310 1.00 23.42 H new ATOM 0 HD3 ARG A 23 4.102 -15.965 12.653 1.00 23.42 H new ATOM 0 HE ARG A 23 6.778 -16.434 12.392 1.00 10.15 H new ATOM 0 HH11 ARG A 23 4.412 -17.615 14.747 1.00 41.40 H new ATOM 0 HH12 ARG A 23 5.200 -19.188 14.913 1.00 41.40 H new ATOM 0 HH21 ARG A 23 7.758 -18.458 12.600 1.00 15.11 H new ATOM 0 HH22 ARG A 23 7.085 -19.662 13.704 1.00 15.11 H new ATOM 375 N ARG A 24 1.251 -12.067 12.027 1.00 52.42 N ATOM 376 CA ARG A 24 -0.088 -11.629 12.391 1.00 64.45 C ATOM 377 C ARG A 24 -1.050 -11.873 11.233 1.00 24.04 C ATOM 378 O ARG A 24 -2.232 -11.545 11.312 1.00 75.51 O ATOM 379 CB ARG A 24 -0.074 -10.143 12.752 1.00 11.34 C ATOM 380 CG ARG A 24 0.838 -9.796 13.918 1.00 60.45 C ATOM 381 CD ARG A 24 0.255 -10.238 15.253 1.00 33.14 C ATOM 382 NE ARG A 24 0.243 -11.694 15.429 1.00 72.12 N ATOM 383 CZ ARG A 24 -0.466 -12.316 16.376 1.00 21.00 C ATOM 384 NH1 ARG A 24 -1.240 -11.618 17.197 1.00 13.43 N ATOM 385 NH2 ARG A 24 -0.395 -13.636 16.506 1.00 22.22 N ATOM 0 H ARG A 24 1.709 -11.482 11.328 1.00 52.42 H new ATOM 0 HA ARG A 24 -0.422 -12.201 13.257 1.00 64.45 H new ATOM 0 HB2 ARG A 24 0.238 -9.571 11.878 1.00 11.34 H new ATOM 0 HB3 ARG A 24 -1.090 -9.829 12.993 1.00 11.34 H new ATOM 0 HG2 ARG A 24 1.808 -10.270 13.772 1.00 60.45 H new ATOM 0 HG3 ARG A 24 1.009 -8.720 13.936 1.00 60.45 H new ATOM 0 HD2 ARG A 24 0.832 -9.786 16.060 1.00 33.14 H new ATOM 0 HD3 ARG A 24 -0.764 -9.860 15.339 1.00 33.14 H new ATOM 0 HE ARG A 24 0.805 -12.262 14.795 1.00 72.12 H new ATOM 0 HH11 ARG A 24 -1.295 -10.604 17.107 1.00 13.43 H new ATOM 0 HH12 ARG A 24 -1.780 -12.096 17.919 1.00 13.43 H new ATOM 0 HH21 ARG A 24 0.202 -14.179 15.882 1.00 22.22 H new ATOM 0 HH22 ARG A 24 -0.938 -14.107 17.230 1.00 22.22 H new ATOM 399 N LEU A 25 -0.529 -12.467 10.167 1.00 74.53 N ATOM 400 CA LEU A 25 -1.298 -12.680 8.947 1.00 33.01 C ATOM 401 C LEU A 25 -1.400 -14.157 8.597 1.00 53.15 C ATOM 402 O LEU A 25 -0.413 -14.888 8.638 1.00 35.52 O ATOM 403 CB LEU A 25 -0.650 -11.932 7.777 1.00 12.22 C ATOM 404 CG LEU A 25 -1.412 -10.706 7.276 1.00 55.45 C ATOM 405 CD1 LEU A 25 -1.705 -9.749 8.419 1.00 53.11 C ATOM 406 CD2 LEU A 25 -0.617 -10.010 6.182 1.00 2.34 C ATOM 0 H LEU A 25 0.430 -12.812 10.123 1.00 74.53 H new ATOM 0 HA LEU A 25 -2.303 -12.297 9.125 1.00 33.01 H new ATOM 0 HB2 LEU A 25 0.350 -11.619 8.078 1.00 12.22 H new ATOM 0 HB3 LEU A 25 -0.529 -12.627 6.946 1.00 12.22 H new ATOM 0 HG LEU A 25 -2.365 -11.034 6.861 1.00 55.45 H new ATOM 0 HD11 LEU A 25 -2.248 -8.884 8.039 1.00 53.11 H new ATOM 0 HD12 LEU A 25 -2.310 -10.255 9.171 1.00 53.11 H new ATOM 0 HD13 LEU A 25 -0.768 -9.421 8.868 1.00 53.11 H new ATOM 0 HD21 LEU A 25 -1.168 -9.137 5.831 1.00 2.34 H new ATOM 0 HD22 LEU A 25 0.348 -9.695 6.578 1.00 2.34 H new ATOM 0 HD23 LEU A 25 -0.461 -10.699 5.352 1.00 2.34 H new ATOM 418 N GLU A 26 -2.607 -14.593 8.282 1.00 11.34 N ATOM 419 CA GLU A 26 -2.822 -15.901 7.711 1.00 73.34 C ATOM 420 C GLU A 26 -2.432 -15.873 6.236 1.00 73.55 C ATOM 421 O GLU A 26 -2.358 -14.803 5.629 1.00 40.21 O ATOM 422 CB GLU A 26 -4.290 -16.265 7.886 1.00 40.22 C ATOM 423 CG GLU A 26 -4.550 -17.738 8.115 1.00 44.15 C ATOM 424 CD GLU A 26 -4.595 -18.532 6.828 1.00 12.33 C ATOM 425 OE1 GLU A 26 -5.636 -18.480 6.135 1.00 10.34 O ATOM 426 OE2 GLU A 26 -3.591 -19.187 6.494 1.00 52.14 O ATOM 0 H GLU A 26 -3.459 -14.049 8.416 1.00 11.34 H new ATOM 0 HA GLU A 26 -2.209 -16.652 8.210 1.00 73.34 H new ATOM 0 HB2 GLU A 26 -4.692 -15.703 8.729 1.00 40.22 H new ATOM 0 HB3 GLU A 26 -4.838 -15.946 7.000 1.00 40.22 H new ATOM 0 HG2 GLU A 26 -3.771 -18.144 8.760 1.00 44.15 H new ATOM 0 HG3 GLU A 26 -5.496 -17.858 8.644 1.00 44.15 H new ATOM 433 N ILE A 27 -2.192 -17.038 5.663 1.00 35.20 N ATOM 434 CA ILE A 27 -1.755 -17.135 4.277 1.00 61.24 C ATOM 435 C ILE A 27 -2.842 -16.628 3.335 1.00 34.21 C ATOM 436 O ILE A 27 -2.546 -15.989 2.325 1.00 74.01 O ATOM 437 CB ILE A 27 -1.375 -18.587 3.907 1.00 53.43 C ATOM 438 CG1 ILE A 27 -0.213 -19.065 4.783 1.00 4.43 C ATOM 439 CG2 ILE A 27 -1.013 -18.700 2.431 1.00 2.52 C ATOM 440 CD1 ILE A 27 1.034 -18.217 4.655 1.00 71.14 C ATOM 0 H ILE A 27 -2.292 -17.936 6.136 1.00 35.20 H new ATOM 0 HA ILE A 27 -0.868 -16.510 4.168 1.00 61.24 H new ATOM 0 HB ILE A 27 -2.240 -19.225 4.088 1.00 53.43 H new ATOM 0 HG12 ILE A 27 -0.533 -19.070 5.825 1.00 4.43 H new ATOM 0 HG13 ILE A 27 0.030 -20.094 4.519 1.00 4.43 H new ATOM 0 HG21 ILE A 27 -0.750 -19.732 2.199 1.00 2.52 H new ATOM 0 HG22 ILE A 27 -1.866 -18.397 1.823 1.00 2.52 H new ATOM 0 HG23 ILE A 27 -0.164 -18.052 2.214 1.00 2.52 H new ATOM 0 HD11 ILE A 27 1.813 -18.616 5.304 1.00 71.14 H new ATOM 0 HD12 ILE A 27 1.380 -18.232 3.621 1.00 71.14 H new ATOM 0 HD13 ILE A 27 0.808 -17.191 4.947 1.00 71.14 H new ATOM 452 N GLY A 28 -4.099 -16.890 3.694 1.00 41.15 N ATOM 453 CA GLY A 28 -5.223 -16.464 2.878 1.00 25.32 C ATOM 454 C GLY A 28 -5.230 -14.971 2.610 1.00 64.42 C ATOM 455 O GLY A 28 -5.418 -14.542 1.472 1.00 74.44 O ATOM 0 H GLY A 28 -4.358 -17.394 4.542 1.00 41.15 H new ATOM 0 HA2 GLY A 28 -5.198 -16.998 1.928 1.00 25.32 H new ATOM 0 HA3 GLY A 28 -6.152 -16.742 3.376 1.00 25.32 H new ATOM 459 N THR A 29 -5.019 -14.180 3.652 1.00 63.51 N ATOM 460 CA THR A 29 -5.004 -12.733 3.510 1.00 73.14 C ATOM 461 C THR A 29 -3.661 -12.248 2.950 1.00 72.12 C ATOM 462 O THR A 29 -3.611 -11.287 2.182 1.00 21.23 O ATOM 463 CB THR A 29 -5.327 -12.031 4.854 1.00 42.05 C ATOM 464 OG1 THR A 29 -5.380 -10.611 4.680 1.00 60.45 O ATOM 465 CG2 THR A 29 -4.307 -12.374 5.928 1.00 1.41 C ATOM 0 H THR A 29 -4.856 -14.515 4.602 1.00 63.51 H new ATOM 0 HA THR A 29 -5.784 -12.464 2.798 1.00 73.14 H new ATOM 0 HB THR A 29 -6.302 -12.394 5.180 1.00 42.05 H new ATOM 0 HG1 THR A 29 -5.586 -10.184 5.538 1.00 60.45 H new ATOM 0 HG21 THR A 29 -4.568 -11.863 6.855 1.00 1.41 H new ATOM 0 HG22 THR A 29 -4.304 -13.451 6.096 1.00 1.41 H new ATOM 0 HG23 THR A 29 -3.316 -12.055 5.604 1.00 1.41 H new ATOM 473 N PHE A 30 -2.582 -12.941 3.313 1.00 54.35 N ATOM 474 CA PHE A 30 -1.239 -12.596 2.848 1.00 52.22 C ATOM 475 C PHE A 30 -1.151 -12.655 1.319 1.00 62.22 C ATOM 476 O PHE A 30 -0.740 -11.688 0.672 1.00 42.23 O ATOM 477 CB PHE A 30 -0.218 -13.550 3.481 1.00 21.41 C ATOM 478 CG PHE A 30 1.201 -13.321 3.042 1.00 44.42 C ATOM 479 CD1 PHE A 30 1.934 -12.261 3.547 1.00 32.51 C ATOM 480 CD2 PHE A 30 1.799 -14.169 2.123 1.00 1.34 C ATOM 481 CE1 PHE A 30 3.238 -12.048 3.143 1.00 41.54 C ATOM 482 CE2 PHE A 30 3.102 -13.963 1.715 1.00 12.13 C ATOM 483 CZ PHE A 30 3.824 -12.900 2.226 1.00 2.22 C ATOM 0 H PHE A 30 -2.613 -13.751 3.932 1.00 54.35 H new ATOM 0 HA PHE A 30 -1.016 -11.573 3.153 1.00 52.22 H new ATOM 0 HB2 PHE A 30 -0.270 -13.451 4.565 1.00 21.41 H new ATOM 0 HB3 PHE A 30 -0.499 -14.575 3.240 1.00 21.41 H new ATOM 0 HD1 PHE A 30 1.482 -11.593 4.265 1.00 32.51 H new ATOM 0 HD2 PHE A 30 1.239 -15.001 1.721 1.00 1.34 H new ATOM 0 HE1 PHE A 30 3.799 -11.216 3.543 1.00 41.54 H new ATOM 0 HE2 PHE A 30 3.556 -14.631 0.998 1.00 12.13 H new ATOM 0 HZ PHE A 30 4.843 -12.736 1.909 1.00 2.22 H new ATOM 493 N ARG A 31 -1.567 -13.783 0.755 1.00 75.33 N ATOM 494 CA ARG A 31 -1.499 -14.010 -0.691 1.00 22.31 C ATOM 495 C ARG A 31 -2.417 -13.046 -1.447 1.00 52.23 C ATOM 496 O ARG A 31 -2.179 -12.734 -2.616 1.00 71.25 O ATOM 497 CB ARG A 31 -1.912 -15.451 -1.005 1.00 52.01 C ATOM 498 CG ARG A 31 -3.359 -15.733 -0.642 1.00 21.02 C ATOM 499 CD ARG A 31 -3.700 -17.210 -0.680 1.00 33.41 C ATOM 500 NE ARG A 31 -5.071 -17.440 -0.225 1.00 13.43 N ATOM 501 CZ ARG A 31 -5.609 -18.645 -0.037 1.00 33.31 C ATOM 502 NH1 ARG A 31 -4.918 -19.741 -0.325 1.00 44.31 N ATOM 503 NH2 ARG A 31 -6.846 -18.749 0.432 1.00 34.42 N ATOM 0 H ARG A 31 -1.959 -14.564 1.280 1.00 75.33 H new ATOM 0 HA ARG A 31 -0.473 -13.835 -1.014 1.00 22.31 H new ATOM 0 HB2 ARG A 31 -1.763 -15.645 -2.067 1.00 52.01 H new ATOM 0 HB3 ARG A 31 -1.264 -16.138 -0.461 1.00 52.01 H new ATOM 0 HG2 ARG A 31 -3.560 -15.344 0.356 1.00 21.02 H new ATOM 0 HG3 ARG A 31 -4.012 -15.197 -1.330 1.00 21.02 H new ATOM 0 HD2 ARG A 31 -3.581 -17.589 -1.695 1.00 33.41 H new ATOM 0 HD3 ARG A 31 -3.005 -17.764 -0.049 1.00 33.41 H new ATOM 0 HE ARG A 31 -5.654 -16.624 -0.039 1.00 13.43 H new ATOM 0 HH11 ARG A 31 -3.970 -19.664 -0.692 1.00 44.31 H new ATOM 0 HH12 ARG A 31 -5.335 -20.660 -0.179 1.00 44.31 H new ATOM 0 HH21 ARG A 31 -7.382 -17.908 0.647 1.00 34.42 H new ATOM 0 HH22 ARG A 31 -7.261 -19.670 0.577 1.00 34.42 H new ATOM 517 N HIS A 32 -3.447 -12.557 -0.756 1.00 64.44 N ATOM 518 CA HIS A 32 -4.494 -11.740 -1.371 1.00 14.02 C ATOM 519 C HIS A 32 -3.937 -10.412 -1.890 1.00 14.14 C ATOM 520 O HIS A 32 -4.574 -9.729 -2.692 1.00 3.40 O ATOM 521 CB HIS A 32 -5.615 -11.496 -0.347 1.00 24.14 C ATOM 522 CG HIS A 32 -6.855 -10.872 -0.915 1.00 61.34 C ATOM 523 ND1 HIS A 32 -7.268 -9.584 -0.940 1.00 73.15 N flip ATOM 524 CD2 HIS A 32 -7.851 -11.600 -1.527 1.00 24.35 C flip ATOM 525 CE1 HIS A 32 -8.494 -9.557 -1.556 1.00 3.35 C flip ATOM 526 NE2 HIS A 32 -8.820 -10.789 -1.902 1.00 14.25 N flip ATOM 0 H HIS A 32 -3.579 -12.715 0.243 1.00 64.44 H new ATOM 0 HA HIS A 32 -4.897 -12.278 -2.229 1.00 14.02 H new ATOM 0 HB2 HIS A 32 -5.881 -12.447 0.114 1.00 24.14 H new ATOM 0 HB3 HIS A 32 -5.231 -10.854 0.446 1.00 24.14 H new ATOM 0 HD2 HIS A 32 -7.840 -12.670 -1.676 1.00 24.35 H new ATOM 0 HE1 HIS A 32 -9.093 -8.675 -1.729 1.00 3.35 H new ATOM 0 HE2 HIS A 32 -9.678 -11.066 -2.379 1.00 14.25 H new ATOM 535 N HIS A 33 -2.744 -10.056 -1.438 1.00 72.32 N ATOM 536 CA HIS A 33 -2.102 -8.816 -1.863 1.00 4.40 C ATOM 537 C HIS A 33 -0.601 -9.017 -2.035 1.00 4.22 C ATOM 538 O HIS A 33 0.195 -8.110 -1.792 1.00 2.40 O ATOM 539 CB HIS A 33 -2.383 -7.690 -0.861 1.00 20.44 C ATOM 540 CG HIS A 33 -2.150 -8.053 0.576 1.00 73.54 C ATOM 541 ND1 HIS A 33 -3.029 -8.248 1.586 1.00 33.12 N flip ATOM 542 CD2 HIS A 33 -0.898 -8.253 1.118 1.00 15.22 C flip ATOM 543 CE1 HIS A 33 -2.303 -8.560 2.705 1.00 64.44 C flip ATOM 544 NE2 HIS A 33 -1.022 -8.559 2.398 1.00 54.12 N flip ATOM 0 H HIS A 33 -2.198 -10.607 -0.776 1.00 72.32 H new ATOM 0 HA HIS A 33 -2.521 -8.530 -2.827 1.00 4.40 H new ATOM 0 HB2 HIS A 33 -1.755 -6.835 -1.111 1.00 20.44 H new ATOM 0 HB3 HIS A 33 -3.418 -7.370 -0.977 1.00 20.44 H new ATOM 0 HD2 HIS A 33 0.036 -8.172 0.582 1.00 15.22 H new ATOM 0 HE1 HIS A 33 -2.714 -8.772 3.681 1.00 64.44 H new ATOM 0 HE2 HIS A 33 -0.255 -8.760 3.040 1.00 54.12 H new ATOM 553 N LYS A 34 -0.228 -10.206 -2.474 1.00 51.44 N ATOM 554 CA LYS A 34 1.175 -10.565 -2.630 1.00 22.22 C ATOM 555 C LYS A 34 1.660 -10.347 -4.069 1.00 60.34 C ATOM 556 O LYS A 34 2.652 -9.652 -4.303 1.00 32.43 O ATOM 557 CB LYS A 34 1.372 -12.026 -2.216 1.00 64.12 C ATOM 558 CG LYS A 34 2.794 -12.535 -2.379 1.00 75.11 C ATOM 559 CD LYS A 34 2.888 -14.008 -2.016 1.00 41.13 C ATOM 560 CE LYS A 34 4.252 -14.586 -2.351 1.00 11.05 C ATOM 561 NZ LYS A 34 4.292 -16.058 -2.146 1.00 22.42 N ATOM 0 H LYS A 34 -0.881 -10.946 -2.731 1.00 51.44 H new ATOM 0 HA LYS A 34 1.770 -9.916 -1.987 1.00 22.22 H new ATOM 0 HB2 LYS A 34 1.075 -12.139 -1.173 1.00 64.12 H new ATOM 0 HB3 LYS A 34 0.704 -12.652 -2.807 1.00 64.12 H new ATOM 0 HG2 LYS A 34 3.121 -12.388 -3.408 1.00 75.11 H new ATOM 0 HG3 LYS A 34 3.466 -11.957 -1.745 1.00 75.11 H new ATOM 0 HD2 LYS A 34 2.692 -14.133 -0.951 1.00 41.13 H new ATOM 0 HD3 LYS A 34 2.117 -14.564 -2.550 1.00 41.13 H new ATOM 0 HE2 LYS A 34 4.500 -14.356 -3.387 1.00 11.05 H new ATOM 0 HE3 LYS A 34 5.011 -14.111 -1.729 1.00 11.05 H new ATOM 0 HZ1 LYS A 34 5.239 -16.416 -2.385 1.00 22.42 H new ATOM 0 HZ2 LYS A 34 4.080 -16.276 -1.151 1.00 22.42 H new ATOM 0 HZ3 LYS A 34 3.585 -16.513 -2.758 1.00 22.42 H new ATOM 575 N SER A 35 0.944 -10.930 -5.024 1.00 32.20 N ATOM 576 CA SER A 35 1.389 -10.972 -6.415 1.00 3.34 C ATOM 577 C SER A 35 1.341 -9.601 -7.097 1.00 71.35 C ATOM 578 O SER A 35 2.191 -9.291 -7.932 1.00 34.40 O ATOM 579 CB SER A 35 0.508 -11.954 -7.188 1.00 34.55 C ATOM 580 OG SER A 35 0.235 -13.111 -6.412 1.00 14.01 O ATOM 0 H SER A 35 0.045 -11.384 -4.860 1.00 32.20 H new ATOM 0 HA SER A 35 2.431 -11.293 -6.417 1.00 3.34 H new ATOM 0 HB2 SER A 35 -0.428 -11.468 -7.465 1.00 34.55 H new ATOM 0 HB3 SER A 35 1.004 -12.242 -8.115 1.00 34.55 H new ATOM 0 HG SER A 35 -0.331 -13.724 -6.926 1.00 14.01 H new ATOM 586 N CYS A 36 0.361 -8.787 -6.720 1.00 30.12 N ATOM 587 CA CYS A 36 0.051 -7.543 -7.432 1.00 31.21 C ATOM 588 C CYS A 36 1.273 -6.644 -7.647 1.00 51.12 C ATOM 589 O CYS A 36 1.743 -6.488 -8.775 1.00 32.01 O ATOM 590 CB CYS A 36 -1.031 -6.781 -6.670 1.00 43.34 C ATOM 591 SG CYS A 36 -2.483 -7.783 -6.275 1.00 42.32 S ATOM 0 H CYS A 36 -0.241 -8.966 -5.916 1.00 30.12 H new ATOM 0 HA CYS A 36 -0.302 -7.822 -8.425 1.00 31.21 H new ATOM 0 HB2 CYS A 36 -0.606 -6.392 -5.745 1.00 43.34 H new ATOM 0 HB3 CYS A 36 -1.344 -5.922 -7.263 1.00 43.34 H new ATOM 0 HG CYS A 36 -3.347 -7.059 -5.628 1.00 42.32 H new ATOM 597 N MET A 37 1.789 -6.062 -6.569 1.00 65.33 N ATOM 598 CA MET A 37 2.899 -5.111 -6.671 1.00 14.33 C ATOM 599 C MET A 37 4.180 -5.796 -7.136 1.00 14.24 C ATOM 600 O MET A 37 5.054 -5.162 -7.722 1.00 40.23 O ATOM 601 CB MET A 37 3.129 -4.408 -5.333 1.00 51.42 C ATOM 602 CG MET A 37 2.049 -3.394 -4.984 1.00 34.23 C ATOM 603 SD MET A 37 2.281 -2.652 -3.356 1.00 14.21 S ATOM 604 CE MET A 37 2.072 -4.080 -2.301 1.00 42.15 C ATOM 0 H MET A 37 1.461 -6.229 -5.618 1.00 65.33 H new ATOM 0 HA MET A 37 2.627 -4.366 -7.418 1.00 14.33 H new ATOM 0 HB2 MET A 37 3.181 -5.157 -4.543 1.00 51.42 H new ATOM 0 HB3 MET A 37 4.095 -3.903 -5.358 1.00 51.42 H new ATOM 0 HG2 MET A 37 2.039 -2.607 -5.738 1.00 34.23 H new ATOM 0 HG3 MET A 37 1.075 -3.882 -5.020 1.00 34.23 H new ATOM 0 HE1 MET A 37 2.027 -3.760 -1.260 1.00 42.15 H new ATOM 0 HE2 MET A 37 1.147 -4.593 -2.563 1.00 42.15 H new ATOM 0 HE3 MET A 37 2.914 -4.759 -2.436 1.00 42.15 H new ATOM 614 N ARG A 38 4.285 -7.095 -6.872 1.00 62.35 N ATOM 615 CA ARG A 38 5.444 -7.868 -7.295 1.00 31.21 C ATOM 616 C ARG A 38 5.571 -7.851 -8.810 1.00 35.32 C ATOM 617 O ARG A 38 6.622 -7.525 -9.359 1.00 75.44 O ATOM 618 CB ARG A 38 5.318 -9.317 -6.833 1.00 53.20 C ATOM 619 CG ARG A 38 6.610 -10.100 -6.967 1.00 61.02 C ATOM 620 CD ARG A 38 6.403 -11.581 -6.709 1.00 31.33 C ATOM 621 NE ARG A 38 7.580 -12.357 -7.093 1.00 34.05 N ATOM 622 CZ ARG A 38 7.806 -13.614 -6.726 1.00 64.41 C ATOM 623 NH1 ARG A 38 6.919 -14.272 -5.988 1.00 55.30 N ATOM 624 NH2 ARG A 38 8.919 -14.219 -7.118 1.00 2.41 N ATOM 0 H ARG A 38 3.581 -7.633 -6.367 1.00 62.35 H new ATOM 0 HA ARG A 38 6.328 -7.415 -6.847 1.00 31.21 H new ATOM 0 HB2 ARG A 38 4.997 -9.333 -5.791 1.00 53.20 H new ATOM 0 HB3 ARG A 38 4.539 -9.811 -7.414 1.00 53.20 H new ATOM 0 HG2 ARG A 38 7.018 -9.959 -7.968 1.00 61.02 H new ATOM 0 HG3 ARG A 38 7.346 -9.709 -6.265 1.00 61.02 H new ATOM 0 HD2 ARG A 38 6.188 -11.742 -5.653 1.00 31.33 H new ATOM 0 HD3 ARG A 38 5.535 -11.932 -7.268 1.00 31.33 H new ATOM 0 HE ARG A 38 8.276 -11.902 -7.684 1.00 34.05 H new ATOM 0 HH11 ARG A 38 6.056 -13.813 -5.698 1.00 55.30 H new ATOM 0 HH12 ARG A 38 7.101 -15.237 -5.711 1.00 55.30 H new ATOM 0 HH21 ARG A 38 9.594 -13.720 -7.697 1.00 2.41 H new ATOM 0 HH22 ARG A 38 9.100 -15.184 -6.841 1.00 2.41 H new ATOM 638 N LYS A 39 4.476 -8.199 -9.467 1.00 2.43 N ATOM 639 CA LYS A 39 4.431 -8.293 -10.907 1.00 63.21 C ATOM 640 C LYS A 39 4.607 -6.914 -11.541 1.00 44.22 C ATOM 641 O LYS A 39 5.259 -6.769 -12.575 1.00 33.21 O ATOM 642 CB LYS A 39 3.087 -8.906 -11.295 1.00 63.14 C ATOM 643 CG LYS A 39 3.116 -9.697 -12.582 1.00 61.05 C ATOM 644 CD LYS A 39 3.372 -8.809 -13.782 1.00 33.10 C ATOM 645 CE LYS A 39 2.238 -7.822 -14.005 1.00 42.34 C ATOM 646 NZ LYS A 39 2.363 -7.123 -15.312 1.00 74.33 N ATOM 0 H LYS A 39 3.593 -8.424 -9.009 1.00 2.43 H new ATOM 0 HA LYS A 39 5.244 -8.921 -11.271 1.00 63.21 H new ATOM 0 HB2 LYS A 39 2.751 -9.558 -10.488 1.00 63.14 H new ATOM 0 HB3 LYS A 39 2.350 -8.108 -11.388 1.00 63.14 H new ATOM 0 HG2 LYS A 39 3.892 -10.460 -12.522 1.00 61.05 H new ATOM 0 HG3 LYS A 39 2.167 -10.217 -12.711 1.00 61.05 H new ATOM 0 HD2 LYS A 39 4.305 -8.264 -13.639 1.00 33.10 H new ATOM 0 HD3 LYS A 39 3.497 -9.427 -14.671 1.00 33.10 H new ATOM 0 HE2 LYS A 39 1.285 -8.349 -13.964 1.00 42.34 H new ATOM 0 HE3 LYS A 39 2.231 -7.088 -13.199 1.00 42.34 H new ATOM 0 HZ1 LYS A 39 1.571 -6.458 -15.427 1.00 74.33 H new ATOM 0 HZ2 LYS A 39 3.261 -6.600 -15.341 1.00 74.33 H new ATOM 0 HZ3 LYS A 39 2.344 -7.821 -16.082 1.00 74.33 H new ATOM 660 N PHE A 40 4.010 -5.917 -10.905 1.00 10.13 N ATOM 661 CA PHE A 40 4.052 -4.533 -11.379 1.00 74.32 C ATOM 662 C PHE A 40 5.486 -4.031 -11.578 1.00 44.04 C ATOM 663 O PHE A 40 5.741 -3.232 -12.483 1.00 52.12 O ATOM 664 CB PHE A 40 3.309 -3.635 -10.383 1.00 2.30 C ATOM 665 CG PHE A 40 3.272 -2.183 -10.770 1.00 75.04 C ATOM 666 CD1 PHE A 40 2.431 -1.744 -11.780 1.00 25.34 C ATOM 667 CD2 PHE A 40 4.074 -1.258 -10.119 1.00 61.31 C ATOM 668 CE1 PHE A 40 2.392 -0.408 -12.135 1.00 20.13 C ATOM 669 CE2 PHE A 40 4.039 0.078 -10.469 1.00 24.14 C ATOM 670 CZ PHE A 40 3.196 0.502 -11.478 1.00 70.33 C ATOM 0 H PHE A 40 3.480 -6.041 -10.042 1.00 10.13 H new ATOM 0 HA PHE A 40 3.564 -4.496 -12.353 1.00 74.32 H new ATOM 0 HB2 PHE A 40 2.286 -3.997 -10.277 1.00 2.30 H new ATOM 0 HB3 PHE A 40 3.782 -3.727 -9.405 1.00 2.30 H new ATOM 0 HD1 PHE A 40 1.799 -2.453 -12.295 1.00 25.34 H new ATOM 0 HD2 PHE A 40 4.734 -1.586 -9.329 1.00 61.31 H new ATOM 0 HE1 PHE A 40 1.734 -0.077 -12.925 1.00 20.13 H new ATOM 0 HE2 PHE A 40 4.669 0.789 -9.955 1.00 24.14 H new ATOM 0 HZ PHE A 40 3.166 1.546 -11.753 1.00 70.33 H new ATOM 680 N LYS A 41 6.410 -4.525 -10.750 1.00 50.33 N ATOM 681 CA LYS A 41 7.809 -4.088 -10.769 1.00 64.33 C ATOM 682 C LYS A 41 7.933 -2.654 -10.258 1.00 73.54 C ATOM 683 O LYS A 41 7.612 -1.693 -10.960 1.00 32.14 O ATOM 684 CB LYS A 41 8.424 -4.222 -12.171 1.00 32.02 C ATOM 685 CG LYS A 41 9.840 -3.669 -12.285 1.00 71.22 C ATOM 686 CD LYS A 41 10.831 -4.442 -11.423 1.00 54.11 C ATOM 687 CE LYS A 41 12.208 -3.799 -11.460 1.00 1.04 C ATOM 688 NZ LYS A 41 13.205 -4.551 -10.648 1.00 53.43 N ATOM 0 H LYS A 41 6.210 -5.238 -10.049 1.00 50.33 H new ATOM 0 HA LYS A 41 8.369 -4.743 -10.101 1.00 64.33 H new ATOM 0 HB2 LYS A 41 8.433 -5.275 -12.453 1.00 32.02 H new ATOM 0 HB3 LYS A 41 7.785 -3.706 -12.887 1.00 32.02 H new ATOM 0 HG2 LYS A 41 10.160 -3.707 -13.326 1.00 71.22 H new ATOM 0 HG3 LYS A 41 9.844 -2.620 -11.988 1.00 71.22 H new ATOM 0 HD2 LYS A 41 10.471 -4.479 -10.395 1.00 54.11 H new ATOM 0 HD3 LYS A 41 10.898 -5.472 -11.775 1.00 54.11 H new ATOM 0 HE2 LYS A 41 12.552 -3.742 -12.493 1.00 1.04 H new ATOM 0 HE3 LYS A 41 12.139 -2.776 -11.090 1.00 1.04 H new ATOM 0 HZ1 LYS A 41 14.128 -4.075 -10.704 1.00 53.43 H new ATOM 0 HZ2 LYS A 41 12.892 -4.584 -9.657 1.00 53.43 H new ATOM 0 HZ3 LYS A 41 13.292 -5.520 -11.016 1.00 53.43 H new ATOM 702 N GLU A 42 8.399 -2.537 -9.025 1.00 32.42 N ATOM 703 CA GLU A 42 8.539 -1.254 -8.345 1.00 41.52 C ATOM 704 C GLU A 42 9.487 -0.308 -9.080 1.00 53.25 C ATOM 705 O GLU A 42 9.055 0.592 -9.804 1.00 62.22 O ATOM 706 CB GLU A 42 9.071 -1.493 -6.935 1.00 54.42 C ATOM 707 CG GLU A 42 8.182 -2.372 -6.078 1.00 70.02 C ATOM 708 CD GLU A 42 6.938 -1.653 -5.615 1.00 23.03 C ATOM 709 OE1 GLU A 42 7.070 -0.718 -4.797 1.00 33.23 O ATOM 710 OE2 GLU A 42 5.834 -2.047 -6.027 1.00 42.32 O ATOM 0 H GLU A 42 8.694 -3.334 -8.461 1.00 32.42 H new ATOM 0 HA GLU A 42 7.556 -0.785 -8.319 1.00 41.52 H new ATOM 0 HB2 GLU A 42 10.058 -1.950 -7.004 1.00 54.42 H new ATOM 0 HB3 GLU A 42 9.199 -0.531 -6.439 1.00 54.42 H new ATOM 0 HG2 GLU A 42 7.897 -3.258 -6.645 1.00 70.02 H new ATOM 0 HG3 GLU A 42 8.744 -2.716 -5.210 1.00 70.02 H new ATOM 717 N TYR A 43 10.787 -0.529 -8.872 1.00 65.24 N ATOM 718 CA TYR A 43 11.841 0.341 -9.391 1.00 44.01 C ATOM 719 C TYR A 43 11.599 1.801 -8.985 1.00 12.32 C ATOM 720 O TYR A 43 11.808 2.731 -9.766 1.00 53.52 O ATOM 721 CB TYR A 43 11.972 0.208 -10.913 1.00 12.22 C ATOM 722 CG TYR A 43 13.243 0.831 -11.454 1.00 22.24 C ATOM 723 CD1 TYR A 43 14.486 0.341 -11.075 1.00 5.24 C ATOM 724 CD2 TYR A 43 13.202 1.909 -12.329 1.00 33.22 C ATOM 725 CE1 TYR A 43 15.652 0.911 -11.550 1.00 31.03 C ATOM 726 CE2 TYR A 43 14.362 2.481 -12.809 1.00 71.02 C ATOM 727 CZ TYR A 43 15.585 1.979 -12.417 1.00 20.15 C ATOM 728 OH TYR A 43 16.742 2.551 -12.893 1.00 21.02 O ATOM 0 H TYR A 43 11.139 -1.322 -8.335 1.00 65.24 H new ATOM 0 HA TYR A 43 12.784 0.021 -8.948 1.00 44.01 H new ATOM 0 HB2 TYR A 43 11.948 -0.848 -11.183 1.00 12.22 H new ATOM 0 HB3 TYR A 43 11.112 0.679 -11.389 1.00 12.22 H new ATOM 0 HD1 TYR A 43 14.542 -0.499 -10.398 1.00 5.24 H new ATOM 0 HD2 TYR A 43 12.246 2.306 -12.639 1.00 33.22 H new ATOM 0 HE1 TYR A 43 16.611 0.521 -11.243 1.00 31.03 H new ATOM 0 HE2 TYR A 43 14.312 3.319 -13.489 1.00 71.02 H new ATOM 0 HH TYR A 43 16.517 3.292 -13.494 1.00 21.02 H new ATOM 738 N CYS A 44 11.161 1.993 -7.752 1.00 42.30 N ATOM 739 CA CYS A 44 11.003 3.330 -7.208 1.00 31.41 C ATOM 740 C CYS A 44 12.310 3.758 -6.555 1.00 12.45 C ATOM 741 O CYS A 44 13.044 2.920 -6.032 1.00 51.10 O ATOM 742 CB CYS A 44 9.852 3.358 -6.206 1.00 42.32 C ATOM 743 SG CYS A 44 8.295 2.742 -6.883 1.00 64.24 S ATOM 0 H CYS A 44 10.909 1.241 -7.110 1.00 42.30 H new ATOM 0 HA CYS A 44 10.763 4.030 -8.009 1.00 31.41 H new ATOM 0 HB2 CYS A 44 10.123 2.760 -5.336 1.00 42.32 H new ATOM 0 HB3 CYS A 44 9.709 4.381 -5.857 1.00 42.32 H new ATOM 0 HG CYS A 44 7.304 3.197 -6.176 1.00 64.24 H new ATOM 749 N GLU A 45 12.605 5.047 -6.591 1.00 2.05 N ATOM 750 CA GLU A 45 13.915 5.530 -6.181 1.00 42.22 C ATOM 751 C GLU A 45 13.834 6.322 -4.871 1.00 70.54 C ATOM 752 O GLU A 45 14.630 7.230 -4.627 1.00 3.21 O ATOM 753 CB GLU A 45 14.490 6.395 -7.304 1.00 43.33 C ATOM 754 CG GLU A 45 15.991 6.612 -7.229 1.00 13.04 C ATOM 755 CD GLU A 45 16.492 7.482 -8.357 1.00 4.54 C ATOM 756 OE1 GLU A 45 16.337 8.717 -8.269 1.00 54.42 O ATOM 757 OE2 GLU A 45 17.022 6.938 -9.347 1.00 63.12 O ATOM 0 H GLU A 45 11.960 5.775 -6.898 1.00 2.05 H new ATOM 0 HA GLU A 45 14.570 4.678 -5.998 1.00 42.22 H new ATOM 0 HB2 GLU A 45 14.250 5.931 -8.261 1.00 43.33 H new ATOM 0 HB3 GLU A 45 13.994 7.366 -7.287 1.00 43.33 H new ATOM 0 HG2 GLU A 45 16.244 7.074 -6.275 1.00 13.04 H new ATOM 0 HG3 GLU A 45 16.499 5.648 -7.261 1.00 13.04 H new ATOM 764 N GLY A 46 12.884 5.965 -4.017 1.00 32.41 N ATOM 765 CA GLY A 46 12.764 6.624 -2.733 1.00 44.04 C ATOM 766 C GLY A 46 11.356 7.097 -2.456 1.00 51.11 C ATOM 767 O GLY A 46 10.697 7.651 -3.334 1.00 64.13 O ATOM 0 H GLY A 46 12.196 5.232 -4.191 1.00 32.41 H new ATOM 0 HA2 GLY A 46 13.075 5.938 -1.945 1.00 44.04 H new ATOM 0 HA3 GLY A 46 13.443 7.476 -2.700 1.00 44.04 H new ATOM 771 N LEU A 47 10.894 6.871 -1.237 1.00 54.33 N ATOM 772 CA LEU A 47 9.570 7.310 -0.828 1.00 72.12 C ATOM 773 C LEU A 47 9.678 8.246 0.373 1.00 25.31 C ATOM 774 O LEU A 47 10.291 7.913 1.387 1.00 34.30 O ATOM 775 CB LEU A 47 8.679 6.097 -0.511 1.00 10.32 C ATOM 776 CG LEU A 47 7.184 6.389 -0.279 1.00 73.12 C ATOM 777 CD1 LEU A 47 6.920 6.842 1.151 1.00 72.34 C ATOM 778 CD2 LEU A 47 6.680 7.432 -1.268 1.00 55.22 C ATOM 0 H LEU A 47 11.419 6.384 -0.511 1.00 54.33 H new ATOM 0 HA LEU A 47 9.107 7.860 -1.647 1.00 72.12 H new ATOM 0 HB2 LEU A 47 8.765 5.386 -1.332 1.00 10.32 H new ATOM 0 HB3 LEU A 47 9.074 5.606 0.379 1.00 10.32 H new ATOM 0 HG LEU A 47 6.638 5.460 -0.442 1.00 73.12 H new ATOM 0 HD11 LEU A 47 5.856 7.039 1.280 1.00 72.34 H new ATOM 0 HD12 LEU A 47 7.230 6.060 1.844 1.00 72.34 H new ATOM 0 HD13 LEU A 47 7.485 7.752 1.355 1.00 72.34 H new ATOM 0 HD21 LEU A 47 5.622 7.624 -1.087 1.00 55.22 H new ATOM 0 HD22 LEU A 47 7.243 8.356 -1.141 1.00 55.22 H new ATOM 0 HD23 LEU A 47 6.813 7.063 -2.285 1.00 55.22 H new ATOM 790 N GLN A 48 9.081 9.421 0.240 1.00 54.25 N ATOM 791 CA GLN A 48 9.115 10.435 1.286 1.00 70.42 C ATOM 792 C GLN A 48 7.719 10.667 1.842 1.00 14.24 C ATOM 793 O GLN A 48 6.758 10.025 1.416 1.00 2.01 O ATOM 794 CB GLN A 48 9.659 11.760 0.743 1.00 11.21 C ATOM 795 CG GLN A 48 11.176 11.909 0.787 1.00 1.23 C ATOM 796 CD GLN A 48 11.922 10.902 -0.066 1.00 12.23 C ATOM 797 OE1 GLN A 48 12.130 11.116 -1.260 1.00 12.51 O ATOM 798 NE2 GLN A 48 12.357 9.814 0.548 1.00 1.22 N ATOM 0 H GLN A 48 8.561 9.699 -0.592 1.00 54.25 H new ATOM 0 HA GLN A 48 9.772 10.075 2.078 1.00 70.42 H new ATOM 0 HB2 GLN A 48 9.329 11.873 -0.290 1.00 11.21 H new ATOM 0 HB3 GLN A 48 9.214 12.577 1.311 1.00 11.21 H new ATOM 0 HG2 GLN A 48 11.441 12.914 0.459 1.00 1.23 H new ATOM 0 HG3 GLN A 48 11.510 11.812 1.820 1.00 1.23 H new ATOM 0 HE21 GLN A 48 12.162 9.676 1.540 1.00 1.22 H new ATOM 0 HE22 GLN A 48 12.887 9.113 0.030 1.00 1.22 H new ATOM 807 N PHE A 49 7.608 11.604 2.775 1.00 44.42 N ATOM 808 CA PHE A 49 6.320 11.945 3.359 1.00 1.53 C ATOM 809 C PHE A 49 5.428 12.607 2.317 1.00 43.34 C ATOM 810 O PHE A 49 4.336 12.120 2.024 1.00 33.20 O ATOM 811 CB PHE A 49 6.499 12.864 4.571 1.00 13.14 C ATOM 812 CG PHE A 49 5.210 13.434 5.099 1.00 63.12 C ATOM 813 CD1 PHE A 49 4.236 12.608 5.630 1.00 10.13 C ATOM 814 CD2 PHE A 49 4.973 14.797 5.057 1.00 50.41 C ATOM 815 CE1 PHE A 49 3.049 13.129 6.108 1.00 44.43 C ATOM 816 CE2 PHE A 49 3.789 15.326 5.533 1.00 23.42 C ATOM 817 CZ PHE A 49 2.826 14.490 6.061 1.00 50.00 C ATOM 0 H PHE A 49 8.394 12.140 3.142 1.00 44.42 H new ATOM 0 HA PHE A 49 5.842 11.026 3.697 1.00 1.53 H new ATOM 0 HB2 PHE A 49 6.992 12.307 5.368 1.00 13.14 H new ATOM 0 HB3 PHE A 49 7.163 13.684 4.298 1.00 13.14 H new ATOM 0 HD1 PHE A 49 4.405 11.542 5.672 1.00 10.13 H new ATOM 0 HD2 PHE A 49 5.724 15.456 4.647 1.00 50.41 H new ATOM 0 HE1 PHE A 49 2.296 12.472 6.518 1.00 44.43 H new ATOM 0 HE2 PHE A 49 3.617 16.391 5.492 1.00 23.42 H new ATOM 0 HZ PHE A 49 1.900 14.900 6.436 1.00 50.00 H new ATOM 827 N HIS A 50 5.898 13.703 1.737 1.00 13.21 N ATOM 828 CA HIS A 50 5.130 14.382 0.712 1.00 51.45 C ATOM 829 C HIS A 50 5.445 13.784 -0.651 1.00 35.40 C ATOM 830 O HIS A 50 6.103 14.399 -1.491 1.00 60.11 O ATOM 831 CB HIS A 50 5.382 15.893 0.722 1.00 24.20 C ATOM 832 CG HIS A 50 4.408 16.662 -0.123 1.00 63.31 C ATOM 833 ND1 HIS A 50 3.132 16.968 0.293 1.00 53.13 N ATOM 834 CD2 HIS A 50 4.522 17.164 -1.375 1.00 25.40 C ATOM 835 CE1 HIS A 50 2.503 17.622 -0.666 1.00 34.21 C ATOM 836 NE2 HIS A 50 3.323 17.755 -1.692 1.00 15.24 N ATOM 0 H HIS A 50 6.796 14.134 1.957 1.00 13.21 H new ATOM 0 HA HIS A 50 4.071 14.235 0.926 1.00 51.45 H new ATOM 0 HB2 HIS A 50 5.329 16.257 1.748 1.00 24.20 H new ATOM 0 HB3 HIS A 50 6.394 16.088 0.367 1.00 24.20 H new ATOM 0 HD2 HIS A 50 5.395 17.110 -2.008 1.00 25.40 H new ATOM 0 HE1 HIS A 50 1.488 17.987 -0.619 1.00 34.21 H new ATOM 0 HE2 HIS A 50 3.103 18.219 -2.573 1.00 15.24 H new ATOM 845 N GLU A 51 5.017 12.548 -0.819 1.00 41.45 N ATOM 846 CA GLU A 51 5.105 11.846 -2.083 1.00 20.14 C ATOM 847 C GLU A 51 3.979 10.828 -2.140 1.00 70.03 C ATOM 848 O GLU A 51 3.228 10.758 -3.112 1.00 74.34 O ATOM 849 CB GLU A 51 6.462 11.156 -2.235 1.00 30.32 C ATOM 850 CG GLU A 51 7.251 11.637 -3.442 1.00 22.43 C ATOM 851 CD GLU A 51 6.496 11.444 -4.743 1.00 63.13 C ATOM 852 OE1 GLU A 51 6.507 10.321 -5.279 1.00 63.12 O ATOM 853 OE2 GLU A 51 5.882 12.419 -5.234 1.00 51.51 O ATOM 0 H GLU A 51 4.593 11.997 -0.072 1.00 41.45 H new ATOM 0 HA GLU A 51 5.010 12.556 -2.904 1.00 20.14 H new ATOM 0 HB2 GLU A 51 7.051 11.326 -1.334 1.00 30.32 H new ATOM 0 HB3 GLU A 51 6.307 10.080 -2.316 1.00 30.32 H new ATOM 0 HG2 GLU A 51 7.491 12.693 -3.318 1.00 22.43 H new ATOM 0 HG3 GLU A 51 8.198 11.099 -3.491 1.00 22.43 H new ATOM 860 N LEU A 52 3.859 10.053 -1.071 1.00 40.42 N ATOM 861 CA LEU A 52 2.716 9.180 -0.887 1.00 21.42 C ATOM 862 C LEU A 52 1.605 9.994 -0.231 1.00 33.33 C ATOM 863 O LEU A 52 1.447 9.989 0.987 1.00 52.31 O ATOM 864 CB LEU A 52 3.101 7.968 -0.020 1.00 32.23 C ATOM 865 CG LEU A 52 2.231 6.714 -0.184 1.00 22.24 C ATOM 866 CD1 LEU A 52 0.805 6.957 0.284 1.00 14.13 C ATOM 867 CD2 LEU A 52 2.247 6.243 -1.630 1.00 5.21 C ATOM 0 H LEU A 52 4.545 10.014 -0.317 1.00 40.42 H new ATOM 0 HA LEU A 52 2.372 8.794 -1.847 1.00 21.42 H new ATOM 0 HB2 LEU A 52 4.134 7.700 -0.244 1.00 32.23 H new ATOM 0 HB3 LEU A 52 3.071 8.272 1.026 1.00 32.23 H new ATOM 0 HG LEU A 52 2.654 5.931 0.445 1.00 22.24 H new ATOM 0 HD11 LEU A 52 0.219 6.047 0.153 1.00 14.13 H new ATOM 0 HD12 LEU A 52 0.810 7.236 1.338 1.00 14.13 H new ATOM 0 HD13 LEU A 52 0.362 7.762 -0.302 1.00 14.13 H new ATOM 0 HD21 LEU A 52 1.626 5.353 -1.730 1.00 5.21 H new ATOM 0 HD22 LEU A 52 1.858 7.032 -2.274 1.00 5.21 H new ATOM 0 HD23 LEU A 52 3.269 6.006 -1.924 1.00 5.21 H new ATOM 879 N THR A 53 0.877 10.734 -1.046 1.00 34.12 N ATOM 880 CA THR A 53 -0.125 11.663 -0.548 1.00 61.22 C ATOM 881 C THR A 53 -1.502 11.355 -1.123 1.00 43.23 C ATOM 882 O THR A 53 -1.674 10.384 -1.865 1.00 15.44 O ATOM 883 CB THR A 53 0.254 13.113 -0.909 1.00 10.35 C ATOM 884 OG1 THR A 53 0.475 13.215 -2.324 1.00 50.54 O ATOM 885 CG2 THR A 53 1.504 13.557 -0.158 1.00 74.22 C ATOM 0 H THR A 53 0.960 10.711 -2.062 1.00 34.12 H new ATOM 0 HA THR A 53 -0.160 11.550 0.536 1.00 61.22 H new ATOM 0 HB THR A 53 -0.568 13.766 -0.617 1.00 10.35 H new ATOM 0 HG1 THR A 53 0.714 14.138 -2.552 1.00 50.54 H new ATOM 0 HG21 THR A 53 1.748 14.583 -0.432 1.00 74.22 H new ATOM 0 HG22 THR A 53 1.323 13.501 0.915 1.00 74.22 H new ATOM 0 HG23 THR A 53 2.337 12.904 -0.419 1.00 74.22 H new ATOM 893 N GLU A 54 -2.472 12.193 -0.776 1.00 4.32 N ATOM 894 CA GLU A 54 -3.834 12.083 -1.284 1.00 53.42 C ATOM 895 C GLU A 54 -3.825 12.036 -2.806 1.00 63.50 C ATOM 896 O GLU A 54 -4.582 11.287 -3.428 1.00 73.22 O ATOM 897 CB GLU A 54 -4.682 13.282 -0.833 1.00 33.33 C ATOM 898 CG GLU A 54 -4.483 13.698 0.619 1.00 41.20 C ATOM 899 CD GLU A 54 -3.231 14.531 0.828 1.00 20.24 C ATOM 900 OE1 GLU A 54 -3.291 15.764 0.647 1.00 21.43 O ATOM 901 OE2 GLU A 54 -2.176 13.952 1.157 1.00 72.11 O ATOM 0 H GLU A 54 -2.335 12.971 -0.131 1.00 4.32 H new ATOM 0 HA GLU A 54 -4.266 11.165 -0.886 1.00 53.42 H new ATOM 0 HB2 GLU A 54 -4.452 14.133 -1.474 1.00 33.33 H new ATOM 0 HB3 GLU A 54 -5.734 13.042 -0.986 1.00 33.33 H new ATOM 0 HG2 GLU A 54 -5.351 14.267 0.951 1.00 41.20 H new ATOM 0 HG3 GLU A 54 -4.428 12.806 1.243 1.00 41.20 H new ATOM 908 N ASP A 55 -2.944 12.838 -3.389 1.00 34.42 N ATOM 909 CA ASP A 55 -2.819 12.939 -4.833 1.00 35.35 C ATOM 910 C ASP A 55 -2.286 11.640 -5.420 1.00 1.55 C ATOM 911 O ASP A 55 -2.727 11.207 -6.478 1.00 42.41 O ATOM 912 CB ASP A 55 -1.902 14.101 -5.211 1.00 34.41 C ATOM 913 CG ASP A 55 -1.679 14.198 -6.705 1.00 31.15 C ATOM 914 OD1 ASP A 55 -2.620 14.589 -7.429 1.00 31.45 O ATOM 915 OD2 ASP A 55 -0.560 13.896 -7.163 1.00 74.13 O ATOM 0 H ASP A 55 -2.298 13.435 -2.873 1.00 34.42 H new ATOM 0 HA ASP A 55 -3.810 13.125 -5.247 1.00 35.35 H new ATOM 0 HB2 ASP A 55 -2.335 15.034 -4.850 1.00 34.41 H new ATOM 0 HB3 ASP A 55 -0.941 13.980 -4.710 1.00 34.41 H new ATOM 920 N PHE A 56 -1.349 11.011 -4.723 1.00 45.01 N ATOM 921 CA PHE A 56 -0.795 9.750 -5.190 1.00 23.21 C ATOM 922 C PHE A 56 -1.848 8.651 -5.089 1.00 11.34 C ATOM 923 O PHE A 56 -1.965 7.809 -5.979 1.00 73.13 O ATOM 924 CB PHE A 56 0.450 9.363 -4.388 1.00 1.35 C ATOM 925 CG PHE A 56 1.251 8.263 -5.031 1.00 34.14 C ATOM 926 CD1 PHE A 56 0.931 6.928 -4.822 1.00 24.03 C ATOM 927 CD2 PHE A 56 2.321 8.569 -5.856 1.00 63.05 C ATOM 928 CE1 PHE A 56 1.664 5.923 -5.422 1.00 73.23 C ATOM 929 CE2 PHE A 56 3.056 7.569 -6.458 1.00 54.41 C ATOM 930 CZ PHE A 56 2.728 6.245 -6.242 1.00 43.33 C ATOM 0 H PHE A 56 -0.961 11.349 -3.842 1.00 45.01 H new ATOM 0 HA PHE A 56 -0.500 9.872 -6.232 1.00 23.21 H new ATOM 0 HB2 PHE A 56 1.084 10.242 -4.266 1.00 1.35 H new ATOM 0 HB3 PHE A 56 0.148 9.047 -3.389 1.00 1.35 H new ATOM 0 HD1 PHE A 56 0.099 6.673 -4.183 1.00 24.03 H new ATOM 0 HD2 PHE A 56 2.583 9.602 -6.030 1.00 63.05 H new ATOM 0 HE1 PHE A 56 1.406 4.888 -5.251 1.00 73.23 H new ATOM 0 HE2 PHE A 56 3.888 7.821 -7.098 1.00 54.41 H new ATOM 0 HZ PHE A 56 3.303 5.462 -6.714 1.00 43.33 H new ATOM 940 N LEU A 57 -2.614 8.675 -4.001 1.00 20.15 N ATOM 941 CA LEU A 57 -3.699 7.722 -3.798 1.00 32.05 C ATOM 942 C LEU A 57 -4.700 7.784 -4.943 1.00 45.03 C ATOM 943 O LEU A 57 -5.040 6.759 -5.537 1.00 50.54 O ATOM 944 CB LEU A 57 -4.412 8.000 -2.469 1.00 65.51 C ATOM 945 CG LEU A 57 -3.847 7.276 -1.240 1.00 74.12 C ATOM 946 CD1 LEU A 57 -4.179 5.793 -1.291 1.00 63.03 C ATOM 947 CD2 LEU A 57 -2.345 7.464 -1.127 1.00 73.24 C ATOM 0 H LEU A 57 -2.501 9.348 -3.243 1.00 20.15 H new ATOM 0 HA LEU A 57 -3.267 6.722 -3.770 1.00 32.05 H new ATOM 0 HB2 LEU A 57 -4.381 9.073 -2.280 1.00 65.51 H new ATOM 0 HB3 LEU A 57 -5.461 7.725 -2.578 1.00 65.51 H new ATOM 0 HG LEU A 57 -4.314 7.716 -0.359 1.00 74.12 H new ATOM 0 HD11 LEU A 57 -3.769 5.298 -0.411 1.00 63.03 H new ATOM 0 HD12 LEU A 57 -5.261 5.663 -1.310 1.00 63.03 H new ATOM 0 HD13 LEU A 57 -3.745 5.354 -2.189 1.00 63.03 H new ATOM 0 HD21 LEU A 57 -1.978 6.938 -0.246 1.00 73.24 H new ATOM 0 HD22 LEU A 57 -1.860 7.063 -2.017 1.00 73.24 H new ATOM 0 HD23 LEU A 57 -2.117 8.526 -1.037 1.00 73.24 H new ATOM 959 N ARG A 58 -5.160 8.990 -5.263 1.00 31.41 N ATOM 960 CA ARG A 58 -6.150 9.159 -6.320 1.00 30.13 C ATOM 961 C ARG A 58 -5.543 8.851 -7.685 1.00 61.14 C ATOM 962 O ARG A 58 -6.199 8.260 -8.536 1.00 63.40 O ATOM 963 CB ARG A 58 -6.750 10.570 -6.306 1.00 42.24 C ATOM 964 CG ARG A 58 -5.743 11.677 -6.554 1.00 25.14 C ATOM 965 CD ARG A 58 -6.393 13.047 -6.517 1.00 35.11 C ATOM 966 NE ARG A 58 -5.414 14.115 -6.700 1.00 4.22 N ATOM 967 CZ ARG A 58 -5.580 15.366 -6.279 1.00 34.14 C ATOM 968 NH1 ARG A 58 -6.702 15.734 -5.671 1.00 3.02 N ATOM 969 NH2 ARG A 58 -4.609 16.247 -6.465 1.00 52.22 N ATOM 0 H ARG A 58 -4.867 9.856 -4.811 1.00 31.41 H new ATOM 0 HA ARG A 58 -6.956 8.450 -6.131 1.00 30.13 H new ATOM 0 HB2 ARG A 58 -7.531 10.628 -7.064 1.00 42.24 H new ATOM 0 HB3 ARG A 58 -7.229 10.739 -5.342 1.00 42.24 H new ATOM 0 HG2 ARG A 58 -4.956 11.628 -5.802 1.00 25.14 H new ATOM 0 HG3 ARG A 58 -5.268 11.526 -7.523 1.00 25.14 H new ATOM 0 HD2 ARG A 58 -7.151 13.111 -7.297 1.00 35.11 H new ATOM 0 HD3 ARG A 58 -6.904 13.182 -5.564 1.00 35.11 H new ATOM 0 HE ARG A 58 -4.545 13.887 -7.183 1.00 4.22 H new ATOM 0 HH11 ARG A 58 -7.448 15.054 -5.522 1.00 3.02 H new ATOM 0 HH12 ARG A 58 -6.818 16.696 -5.353 1.00 3.02 H new ATOM 0 HH21 ARG A 58 -3.745 15.964 -6.927 1.00 52.22 H new ATOM 0 HH22 ARG A 58 -4.725 17.209 -6.146 1.00 52.22 H new ATOM 983 N ASP A 59 -4.282 9.227 -7.878 1.00 33.45 N ATOM 984 CA ASP A 59 -3.596 8.989 -9.147 1.00 53.44 C ATOM 985 C ASP A 59 -3.423 7.496 -9.394 1.00 54.10 C ATOM 986 O ASP A 59 -3.665 7.006 -10.499 1.00 54.10 O ATOM 987 CB ASP A 59 -2.231 9.682 -9.163 1.00 72.34 C ATOM 988 CG ASP A 59 -1.459 9.425 -10.442 1.00 53.13 C ATOM 989 OD1 ASP A 59 -1.803 10.029 -11.481 1.00 53.34 O ATOM 990 OD2 ASP A 59 -0.500 8.627 -10.416 1.00 63.41 O ATOM 0 H ASP A 59 -3.714 9.697 -7.174 1.00 33.45 H new ATOM 0 HA ASP A 59 -4.211 9.407 -9.944 1.00 53.44 H new ATOM 0 HB2 ASP A 59 -2.372 10.756 -9.038 1.00 72.34 H new ATOM 0 HB3 ASP A 59 -1.643 9.337 -8.313 1.00 72.34 H new ATOM 995 N TYR A 60 -3.015 6.777 -8.355 1.00 44.53 N ATOM 996 CA TYR A 60 -2.838 5.334 -8.445 1.00 14.35 C ATOM 997 C TYR A 60 -4.191 4.660 -8.654 1.00 14.05 C ATOM 998 O TYR A 60 -4.306 3.691 -9.405 1.00 61.11 O ATOM 999 CB TYR A 60 -2.161 4.804 -7.176 1.00 71.03 C ATOM 1000 CG TYR A 60 -1.580 3.412 -7.317 1.00 22.45 C ATOM 1001 CD1 TYR A 60 -0.400 3.200 -8.021 1.00 31.23 C ATOM 1002 CD2 TYR A 60 -2.200 2.311 -6.737 1.00 33.33 C ATOM 1003 CE1 TYR A 60 0.143 1.934 -8.146 1.00 63.42 C ATOM 1004 CE2 TYR A 60 -1.664 1.041 -6.858 1.00 31.11 C ATOM 1005 CZ TYR A 60 -0.493 0.859 -7.562 1.00 4.11 C ATOM 1006 OH TYR A 60 0.044 -0.404 -7.681 1.00 2.23 O ATOM 0 H TYR A 60 -2.800 7.171 -7.439 1.00 44.53 H new ATOM 0 HA TYR A 60 -2.197 5.104 -9.296 1.00 14.35 H new ATOM 0 HB2 TYR A 60 -1.365 5.491 -6.889 1.00 71.03 H new ATOM 0 HB3 TYR A 60 -2.888 4.802 -6.364 1.00 71.03 H new ATOM 0 HD1 TYR A 60 0.102 4.039 -8.479 1.00 31.23 H new ATOM 0 HD2 TYR A 60 -3.116 2.449 -6.182 1.00 33.33 H new ATOM 0 HE1 TYR A 60 1.060 1.788 -8.698 1.00 63.42 H new ATOM 0 HE2 TYR A 60 -2.161 0.197 -6.403 1.00 31.11 H new ATOM 0 HH TYR A 60 -0.526 -1.048 -7.211 1.00 2.23 H new ATOM 1016 N LEU A 61 -5.210 5.197 -7.989 1.00 11.31 N ATOM 1017 CA LEU A 61 -6.581 4.739 -8.165 1.00 52.10 C ATOM 1018 C LEU A 61 -7.007 4.905 -9.617 1.00 53.33 C ATOM 1019 O LEU A 61 -7.444 3.952 -10.257 1.00 30.43 O ATOM 1020 CB LEU A 61 -7.523 5.530 -7.253 1.00 31.22 C ATOM 1021 CG LEU A 61 -9.016 5.234 -7.429 1.00 53.44 C ATOM 1022 CD1 LEU A 61 -9.339 3.804 -7.024 1.00 61.44 C ATOM 1023 CD2 LEU A 61 -9.850 6.221 -6.627 1.00 43.41 C ATOM 0 H LEU A 61 -5.108 5.958 -7.317 1.00 11.31 H new ATOM 0 HA LEU A 61 -6.633 3.683 -7.898 1.00 52.10 H new ATOM 0 HB2 LEU A 61 -7.251 5.329 -6.217 1.00 31.22 H new ATOM 0 HB3 LEU A 61 -7.359 6.594 -7.425 1.00 31.22 H new ATOM 0 HG LEU A 61 -9.264 5.348 -8.484 1.00 53.44 H new ATOM 0 HD11 LEU A 61 -10.405 3.620 -7.158 1.00 61.44 H new ATOM 0 HD12 LEU A 61 -8.770 3.112 -7.645 1.00 61.44 H new ATOM 0 HD13 LEU A 61 -9.074 3.654 -5.977 1.00 61.44 H new ATOM 0 HD21 LEU A 61 -10.908 5.998 -6.762 1.00 43.41 H new ATOM 0 HD22 LEU A 61 -9.594 6.139 -5.571 1.00 43.41 H new ATOM 0 HD23 LEU A 61 -9.646 7.235 -6.972 1.00 43.41 H new ATOM 1035 N ILE A 62 -6.859 6.120 -10.132 1.00 51.51 N ATOM 1036 CA ILE A 62 -7.217 6.425 -11.516 1.00 73.33 C ATOM 1037 C ILE A 62 -6.472 5.517 -12.490 1.00 62.40 C ATOM 1038 O ILE A 62 -7.079 4.919 -13.373 1.00 2.21 O ATOM 1039 CB ILE A 62 -6.924 7.904 -11.872 1.00 50.12 C ATOM 1040 CG1 ILE A 62 -7.802 8.845 -11.039 1.00 55.22 C ATOM 1041 CG2 ILE A 62 -7.133 8.160 -13.360 1.00 43.33 C ATOM 1042 CD1 ILE A 62 -9.288 8.642 -11.244 1.00 54.02 C ATOM 0 H ILE A 62 -6.492 6.916 -9.610 1.00 51.51 H new ATOM 0 HA ILE A 62 -8.289 6.250 -11.607 1.00 73.33 H new ATOM 0 HB ILE A 62 -5.879 8.105 -11.636 1.00 50.12 H new ATOM 0 HG12 ILE A 62 -7.569 8.704 -9.984 1.00 55.22 H new ATOM 0 HG13 ILE A 62 -7.549 9.876 -11.287 1.00 55.22 H new ATOM 0 HG21 ILE A 62 -6.921 9.206 -13.583 1.00 43.33 H new ATOM 0 HG22 ILE A 62 -6.462 7.523 -13.937 1.00 43.33 H new ATOM 0 HG23 ILE A 62 -8.166 7.935 -13.626 1.00 43.33 H new ATOM 0 HD11 ILE A 62 -9.841 9.345 -10.620 1.00 54.02 H new ATOM 0 HD12 ILE A 62 -9.537 8.812 -12.291 1.00 54.02 H new ATOM 0 HD13 ILE A 62 -9.557 7.622 -10.968 1.00 54.02 H new ATOM 1054 N TYR A 63 -5.165 5.393 -12.307 1.00 62.23 N ATOM 1055 CA TYR A 63 -4.345 4.583 -13.198 1.00 61.43 C ATOM 1056 C TYR A 63 -4.805 3.126 -13.191 1.00 65.10 C ATOM 1057 O TYR A 63 -4.950 2.499 -14.241 1.00 65.44 O ATOM 1058 CB TYR A 63 -2.875 4.670 -12.782 1.00 23.12 C ATOM 1059 CG TYR A 63 -1.928 3.986 -13.744 1.00 72.11 C ATOM 1060 CD1 TYR A 63 -1.620 4.569 -14.966 1.00 31.54 C ATOM 1061 CD2 TYR A 63 -1.351 2.759 -13.437 1.00 30.12 C ATOM 1062 CE1 TYR A 63 -0.762 3.953 -15.855 1.00 45.24 C ATOM 1063 CE2 TYR A 63 -0.491 2.136 -14.322 1.00 34.00 C ATOM 1064 CZ TYR A 63 -0.202 2.737 -15.529 1.00 34.30 C ATOM 1065 OH TYR A 63 0.647 2.115 -16.416 1.00 2.13 O ATOM 0 H TYR A 63 -4.650 5.842 -11.550 1.00 62.23 H new ATOM 0 HA TYR A 63 -4.455 4.971 -14.210 1.00 61.43 H new ATOM 0 HB2 TYR A 63 -2.593 5.719 -12.693 1.00 23.12 H new ATOM 0 HB3 TYR A 63 -2.759 4.224 -11.794 1.00 23.12 H new ATOM 0 HD1 TYR A 63 -2.059 5.521 -15.226 1.00 31.54 H new ATOM 0 HD2 TYR A 63 -1.578 2.286 -12.493 1.00 30.12 H new ATOM 0 HE1 TYR A 63 -0.531 4.421 -16.800 1.00 45.24 H new ATOM 0 HE2 TYR A 63 -0.048 1.184 -14.070 1.00 34.00 H new ATOM 0 HH TYR A 63 0.956 1.267 -16.033 1.00 2.13 H new ATOM 1075 N MET A 64 -5.044 2.603 -12.003 1.00 44.21 N ATOM 1076 CA MET A 64 -5.430 1.208 -11.837 1.00 52.22 C ATOM 1077 C MET A 64 -6.854 0.954 -12.328 1.00 34.23 C ATOM 1078 O MET A 64 -7.126 -0.048 -12.992 1.00 74.23 O ATOM 1079 CB MET A 64 -5.293 0.817 -10.368 1.00 34.24 C ATOM 1080 CG MET A 64 -5.614 -0.638 -10.075 1.00 53.32 C ATOM 1081 SD MET A 64 -4.764 -1.243 -8.607 1.00 73.40 S ATOM 1082 CE MET A 64 -5.068 0.094 -7.456 1.00 23.45 C ATOM 0 H MET A 64 -4.978 3.126 -11.130 1.00 44.21 H new ATOM 0 HA MET A 64 -4.766 0.592 -12.443 1.00 52.22 H new ATOM 0 HB2 MET A 64 -4.274 1.024 -10.043 1.00 34.24 H new ATOM 0 HB3 MET A 64 -5.952 1.449 -9.773 1.00 34.24 H new ATOM 0 HG2 MET A 64 -6.690 -0.751 -9.942 1.00 53.32 H new ATOM 0 HG3 MET A 64 -5.333 -1.250 -10.933 1.00 53.32 H new ATOM 0 HE1 MET A 64 -4.911 -0.260 -6.437 1.00 23.45 H new ATOM 0 HE2 MET A 64 -4.383 0.916 -7.664 1.00 23.45 H new ATOM 0 HE3 MET A 64 -6.095 0.442 -7.565 1.00 23.45 H new ATOM 1092 N LYS A 65 -7.753 1.860 -11.994 1.00 3.54 N ATOM 1093 CA LYS A 65 -9.153 1.732 -12.377 1.00 50.53 C ATOM 1094 C LYS A 65 -9.334 1.986 -13.879 1.00 5.53 C ATOM 1095 O LYS A 65 -9.966 1.195 -14.578 1.00 45.52 O ATOM 1096 CB LYS A 65 -10.004 2.714 -11.554 1.00 52.43 C ATOM 1097 CG LYS A 65 -11.474 2.327 -11.413 1.00 33.34 C ATOM 1098 CD LYS A 65 -12.235 2.460 -12.722 1.00 24.41 C ATOM 1099 CE LYS A 65 -13.704 2.092 -12.567 1.00 52.13 C ATOM 1100 NZ LYS A 65 -14.405 2.063 -13.878 1.00 23.04 N ATOM 0 H LYS A 65 -7.540 2.699 -11.455 1.00 3.54 H new ATOM 0 HA LYS A 65 -9.483 0.714 -12.170 1.00 50.53 H new ATOM 0 HB2 LYS A 65 -9.569 2.803 -10.558 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -9.945 3.699 -12.017 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -11.544 1.299 -11.058 1.00 33.34 H new ATOM 0 HG3 LYS A 65 -11.942 2.958 -10.658 1.00 33.34 H new ATOM 0 HD2 LYS A 65 -12.154 3.484 -13.086 1.00 24.41 H new ATOM 0 HD3 LYS A 65 -11.778 1.817 -13.474 1.00 24.41 H new ATOM 0 HE2 LYS A 65 -13.786 1.116 -12.089 1.00 52.13 H new ATOM 0 HE3 LYS A 65 -14.192 2.811 -11.909 1.00 52.13 H new ATOM 0 HZ1 LYS A 65 -15.403 1.809 -13.733 1.00 23.04 H new ATOM 0 HZ2 LYS A 65 -14.348 3.001 -14.323 1.00 23.04 H new ATOM 0 HZ3 LYS A 65 -13.955 1.359 -14.497 1.00 23.04 H new ATOM 1114 N LYS A 66 -8.764 3.078 -14.374 1.00 21.54 N ATOM 1115 CA LYS A 66 -8.974 3.488 -15.759 1.00 53.10 C ATOM 1116 C LYS A 66 -8.006 2.766 -16.696 1.00 53.22 C ATOM 1117 O LYS A 66 -8.428 1.991 -17.553 1.00 33.02 O ATOM 1118 CB LYS A 66 -8.810 5.011 -15.891 1.00 73.34 C ATOM 1119 CG LYS A 66 -9.617 5.646 -17.020 1.00 1.45 C ATOM 1120 CD LYS A 66 -9.145 5.202 -18.396 1.00 33.31 C ATOM 1121 CE LYS A 66 -10.003 5.809 -19.496 1.00 54.20 C ATOM 1122 NZ LYS A 66 -9.582 5.350 -20.847 1.00 22.41 N ATOM 0 H LYS A 66 -8.154 3.695 -13.839 1.00 21.54 H new ATOM 0 HA LYS A 66 -9.989 3.215 -16.046 1.00 53.10 H new ATOM 0 HB2 LYS A 66 -9.101 5.477 -14.949 1.00 73.34 H new ATOM 0 HB3 LYS A 66 -7.755 5.237 -16.046 1.00 73.34 H new ATOM 0 HG2 LYS A 66 -10.669 5.388 -16.900 1.00 1.45 H new ATOM 0 HG3 LYS A 66 -9.545 6.731 -16.948 1.00 1.45 H new ATOM 0 HD2 LYS A 66 -8.105 5.496 -18.539 1.00 33.31 H new ATOM 0 HD3 LYS A 66 -9.181 4.115 -18.462 1.00 33.31 H new ATOM 0 HE2 LYS A 66 -11.047 5.542 -19.331 1.00 54.20 H new ATOM 0 HE3 LYS A 66 -9.941 6.896 -19.446 1.00 54.20 H new ATOM 0 HZ1 LYS A 66 -10.192 5.787 -21.568 1.00 22.41 H new ATOM 0 HZ2 LYS A 66 -8.594 5.627 -21.015 1.00 22.41 H new ATOM 0 HZ3 LYS A 66 -9.666 4.315 -20.904 1.00 22.41 H new ATOM 1136 N THR A 67 -6.713 3.004 -16.516 1.00 75.34 N ATOM 1137 CA THR A 67 -5.707 2.465 -17.426 1.00 54.22 C ATOM 1138 C THR A 67 -5.603 0.942 -17.314 1.00 54.12 C ATOM 1139 O THR A 67 -5.659 0.231 -18.319 1.00 53.10 O ATOM 1140 CB THR A 67 -4.323 3.094 -17.159 1.00 33.15 C ATOM 1141 OG1 THR A 67 -4.399 4.523 -17.276 1.00 53.44 O ATOM 1142 CG2 THR A 67 -3.287 2.565 -18.137 1.00 64.14 C ATOM 0 H THR A 67 -6.336 3.564 -15.752 1.00 75.34 H new ATOM 0 HA THR A 67 -6.027 2.719 -18.437 1.00 54.22 H new ATOM 0 HB THR A 67 -4.021 2.824 -16.147 1.00 33.15 H new ATOM 0 HG1 THR A 67 -3.517 4.913 -17.103 1.00 53.44 H new ATOM 0 HG21 THR A 67 -2.321 3.024 -17.927 1.00 64.14 H new ATOM 0 HG22 THR A 67 -3.206 1.483 -18.031 1.00 64.14 H new ATOM 0 HG23 THR A 67 -3.591 2.808 -19.155 1.00 64.14 H new ATOM 1150 N LEU A 68 -5.478 0.439 -16.091 1.00 70.13 N ATOM 1151 CA LEU A 68 -5.363 -1.000 -15.873 1.00 32.43 C ATOM 1152 C LEU A 68 -6.734 -1.666 -15.967 1.00 72.44 C ATOM 1153 O LEU A 68 -6.840 -2.894 -15.947 1.00 63.50 O ATOM 1154 CB LEU A 68 -4.712 -1.296 -14.519 1.00 40.14 C ATOM 1155 CG LEU A 68 -3.276 -0.789 -14.361 1.00 63.51 C ATOM 1156 CD1 LEU A 68 -2.747 -1.122 -12.975 1.00 33.22 C ATOM 1157 CD2 LEU A 68 -2.376 -1.393 -15.432 1.00 20.11 C ATOM 0 H LEU A 68 -5.454 1.001 -15.240 1.00 70.13 H new ATOM 0 HA LEU A 68 -4.724 -1.413 -16.653 1.00 32.43 H new ATOM 0 HB2 LEU A 68 -5.325 -0.853 -13.734 1.00 40.14 H new ATOM 0 HB3 LEU A 68 -4.719 -2.374 -14.358 1.00 40.14 H new ATOM 0 HG LEU A 68 -3.277 0.294 -14.482 1.00 63.51 H new ATOM 0 HD11 LEU A 68 -1.725 -0.755 -12.878 1.00 33.22 H new ATOM 0 HD12 LEU A 68 -3.376 -0.648 -12.222 1.00 33.22 H new ATOM 0 HD13 LEU A 68 -2.760 -2.202 -12.830 1.00 33.22 H new ATOM 0 HD21 LEU A 68 -1.359 -1.022 -15.305 1.00 20.11 H new ATOM 0 HD22 LEU A 68 -2.380 -2.479 -15.340 1.00 20.11 H new ATOM 0 HD23 LEU A 68 -2.744 -1.111 -16.418 1.00 20.11 H new ATOM 1169 N CYS A 69 -7.774 -0.835 -16.055 1.00 73.04 N ATOM 1170 CA CYS A 69 -9.141 -1.292 -16.299 1.00 13.44 C ATOM 1171 C CYS A 69 -9.668 -2.180 -15.172 1.00 70.43 C ATOM 1172 O CYS A 69 -10.548 -3.011 -15.390 1.00 21.04 O ATOM 1173 CB CYS A 69 -9.213 -2.030 -17.639 1.00 72.50 C ATOM 1174 SG CYS A 69 -8.613 -1.054 -19.039 1.00 42.23 S ATOM 0 H CYS A 69 -7.690 0.177 -15.959 1.00 73.04 H new ATOM 0 HA CYS A 69 -9.780 -0.410 -16.333 1.00 13.44 H new ATOM 0 HB2 CYS A 69 -8.629 -2.948 -17.570 1.00 72.50 H new ATOM 0 HB3 CYS A 69 -10.246 -2.323 -17.828 1.00 72.50 H new ATOM 0 HG CYS A 69 -7.451 -0.549 -18.749 1.00 42.23 H new ATOM 1180 N ASN A 70 -9.162 -1.982 -13.962 1.00 75.30 N ATOM 1181 CA ASN A 70 -9.621 -2.761 -12.815 1.00 11.31 C ATOM 1182 C ASN A 70 -10.813 -2.094 -12.147 1.00 62.01 C ATOM 1183 O ASN A 70 -11.161 -0.955 -12.467 1.00 62.41 O ATOM 1184 CB ASN A 70 -8.503 -2.958 -11.787 1.00 65.41 C ATOM 1185 CG ASN A 70 -7.528 -4.049 -12.180 1.00 4.05 C ATOM 1186 OD1 ASN A 70 -7.760 -5.231 -11.915 1.00 51.44 O ATOM 1187 ND2 ASN A 70 -6.423 -3.662 -12.793 1.00 63.20 N ATOM 0 H ASN A 70 -8.439 -1.295 -13.748 1.00 75.30 H new ATOM 0 HA ASN A 70 -9.923 -3.738 -13.192 1.00 11.31 H new ATOM 0 HB2 ASN A 70 -7.961 -2.021 -11.663 1.00 65.41 H new ATOM 0 HB3 ASN A 70 -8.944 -3.202 -10.820 1.00 65.41 H new ATOM 0 HD21 ASN A 70 -5.723 -4.352 -13.066 1.00 63.20 H new ATOM 0 HD22 ASN A 70 -6.270 -2.674 -12.993 1.00 63.20 H new ATOM 1194 N ALA A 71 -11.439 -2.813 -11.228 1.00 10.13 N ATOM 1195 CA ALA A 71 -12.558 -2.278 -10.464 1.00 75.12 C ATOM 1196 C ALA A 71 -12.059 -1.677 -9.153 1.00 74.33 C ATOM 1197 O ALA A 71 -10.908 -1.894 -8.766 1.00 40.22 O ATOM 1198 CB ALA A 71 -13.586 -3.367 -10.196 1.00 52.30 C ATOM 0 H ALA A 71 -11.190 -3.774 -10.992 1.00 10.13 H new ATOM 0 HA ALA A 71 -13.037 -1.491 -11.047 1.00 75.12 H new ATOM 0 HB1 ALA A 71 -14.416 -2.951 -9.624 1.00 52.30 H new ATOM 0 HB2 ALA A 71 -13.958 -3.758 -11.143 1.00 52.30 H new ATOM 0 HB3 ALA A 71 -13.122 -4.173 -9.628 1.00 52.30 H new ATOM 1204 N ASP A 72 -12.923 -0.941 -8.460 1.00 32.24 N ATOM 1205 CA ASP A 72 -12.525 -0.269 -7.226 1.00 71.13 C ATOM 1206 C ASP A 72 -12.271 -1.271 -6.105 1.00 72.43 C ATOM 1207 O ASP A 72 -11.462 -1.013 -5.223 1.00 23.12 O ATOM 1208 CB ASP A 72 -13.565 0.770 -6.786 1.00 5.30 C ATOM 1209 CG ASP A 72 -14.912 0.167 -6.449 1.00 12.32 C ATOM 1210 OD1 ASP A 72 -15.731 -0.021 -7.378 1.00 41.35 O ATOM 1211 OD2 ASP A 72 -15.168 -0.109 -5.258 1.00 31.14 O ATOM 0 H ASP A 72 -13.896 -0.795 -8.729 1.00 32.24 H new ATOM 0 HA ASP A 72 -11.593 0.255 -7.436 1.00 71.13 H new ATOM 0 HB2 ASP A 72 -13.187 1.305 -5.915 1.00 5.30 H new ATOM 0 HB3 ASP A 72 -13.693 1.505 -7.581 1.00 5.30 H new ATOM 1216 N SER A 73 -12.948 -2.418 -6.147 1.00 54.03 N ATOM 1217 CA SER A 73 -12.718 -3.480 -5.170 1.00 71.13 C ATOM 1218 C SER A 73 -11.250 -3.903 -5.174 1.00 53.44 C ATOM 1219 O SER A 73 -10.636 -4.070 -4.119 1.00 11.32 O ATOM 1220 CB SER A 73 -13.613 -4.687 -5.472 1.00 3.22 C ATOM 1221 OG SER A 73 -14.987 -4.351 -5.346 1.00 24.25 O ATOM 0 H SER A 73 -13.659 -2.635 -6.846 1.00 54.03 H new ATOM 0 HA SER A 73 -12.968 -3.096 -4.181 1.00 71.13 H new ATOM 0 HB2 SER A 73 -13.415 -5.047 -6.482 1.00 3.22 H new ATOM 0 HB3 SER A 73 -13.371 -5.502 -4.790 1.00 3.22 H new ATOM 0 HG SER A 73 -15.536 -5.138 -5.546 1.00 24.25 H new ATOM 1227 N THR A 74 -10.694 -4.061 -6.367 1.00 3.31 N ATOM 1228 CA THR A 74 -9.296 -4.424 -6.521 1.00 72.02 C ATOM 1229 C THR A 74 -8.404 -3.263 -6.092 1.00 45.41 C ATOM 1230 O THR A 74 -7.430 -3.444 -5.363 1.00 64.01 O ATOM 1231 CB THR A 74 -8.995 -4.795 -7.985 1.00 13.23 C ATOM 1232 OG1 THR A 74 -10.038 -5.635 -8.496 1.00 53.12 O ATOM 1233 CG2 THR A 74 -7.662 -5.515 -8.106 1.00 65.51 C ATOM 0 H THR A 74 -11.196 -3.942 -7.247 1.00 3.31 H new ATOM 0 HA THR A 74 -9.091 -5.288 -5.889 1.00 72.02 H new ATOM 0 HB THR A 74 -8.943 -3.873 -8.564 1.00 13.23 H new ATOM 0 HG1 THR A 74 -9.844 -5.867 -9.428 1.00 53.12 H new ATOM 0 HG21 THR A 74 -7.477 -5.764 -9.151 1.00 65.51 H new ATOM 0 HG22 THR A 74 -6.865 -4.868 -7.740 1.00 65.51 H new ATOM 0 HG23 THR A 74 -7.687 -6.430 -7.514 1.00 65.51 H new ATOM 1241 N ALA A 75 -8.778 -2.063 -6.524 1.00 61.10 N ATOM 1242 CA ALA A 75 -8.020 -0.858 -6.216 1.00 50.42 C ATOM 1243 C ALA A 75 -7.945 -0.617 -4.709 1.00 34.44 C ATOM 1244 O ALA A 75 -6.877 -0.332 -4.172 1.00 32.33 O ATOM 1245 CB ALA A 75 -8.641 0.340 -6.917 1.00 35.43 C ATOM 0 H ALA A 75 -9.609 -1.900 -7.093 1.00 61.10 H new ATOM 0 HA ALA A 75 -7.001 -0.995 -6.579 1.00 50.42 H new ATOM 0 HB1 ALA A 75 -8.068 1.237 -6.681 1.00 35.43 H new ATOM 0 HB2 ALA A 75 -8.632 0.176 -7.995 1.00 35.43 H new ATOM 0 HB3 ALA A 75 -9.669 0.467 -6.578 1.00 35.43 H new ATOM 1251 N GLN A 76 -9.080 -0.749 -4.035 1.00 74.51 N ATOM 1252 CA GLN A 76 -9.162 -0.524 -2.605 1.00 55.02 C ATOM 1253 C GLN A 76 -8.295 -1.519 -1.838 1.00 4.23 C ATOM 1254 O GLN A 76 -7.689 -1.172 -0.825 1.00 11.05 O ATOM 1255 CB GLN A 76 -10.617 -0.629 -2.158 1.00 53.30 C ATOM 1256 CG GLN A 76 -11.470 0.571 -2.550 1.00 21.33 C ATOM 1257 CD GLN A 76 -11.050 1.846 -1.846 1.00 43.24 C ATOM 1258 OE1 GLN A 76 -11.526 2.152 -0.753 1.00 62.03 O ATOM 1259 NE2 GLN A 76 -10.162 2.601 -2.470 1.00 13.03 N ATOM 0 H GLN A 76 -9.965 -1.014 -4.466 1.00 74.51 H new ATOM 0 HA GLN A 76 -8.786 0.476 -2.387 1.00 55.02 H new ATOM 0 HB2 GLN A 76 -11.055 -1.530 -2.588 1.00 53.30 H new ATOM 0 HB3 GLN A 76 -10.647 -0.746 -1.075 1.00 53.30 H new ATOM 0 HG2 GLN A 76 -11.407 0.719 -3.628 1.00 21.33 H new ATOM 0 HG3 GLN A 76 -12.514 0.360 -2.318 1.00 21.33 H new ATOM 0 HE21 GLN A 76 -9.792 2.311 -3.375 1.00 13.03 H new ATOM 0 HE22 GLN A 76 -9.847 3.474 -2.046 1.00 13.03 H new ATOM 1268 N ARG A 77 -8.232 -2.750 -2.329 1.00 41.40 N ATOM 1269 CA ARG A 77 -7.413 -3.778 -1.720 1.00 54.53 C ATOM 1270 C ARG A 77 -5.933 -3.439 -1.870 1.00 42.51 C ATOM 1271 O ARG A 77 -5.161 -3.526 -0.913 1.00 34.55 O ATOM 1272 CB ARG A 77 -7.735 -5.121 -2.370 1.00 23.22 C ATOM 1273 CG ARG A 77 -6.748 -6.222 -2.043 1.00 63.53 C ATOM 1274 CD ARG A 77 -6.165 -6.810 -3.312 1.00 65.12 C ATOM 1275 NE ARG A 77 -7.202 -7.321 -4.205 1.00 55.34 N ATOM 1276 CZ ARG A 77 -6.997 -8.227 -5.155 1.00 44.21 C ATOM 1277 NH1 ARG A 77 -5.803 -8.794 -5.298 1.00 35.03 N ATOM 1278 NH2 ARG A 77 -8.002 -8.573 -5.950 1.00 43.32 N ATOM 0 H ARG A 77 -8.745 -3.058 -3.155 1.00 41.40 H new ATOM 0 HA ARG A 77 -7.632 -3.837 -0.654 1.00 54.53 H new ATOM 0 HB2 ARG A 77 -8.730 -5.435 -2.055 1.00 23.22 H new ATOM 0 HB3 ARG A 77 -7.770 -4.989 -3.451 1.00 23.22 H new ATOM 0 HG2 ARG A 77 -5.947 -5.826 -1.418 1.00 63.53 H new ATOM 0 HG3 ARG A 77 -7.244 -7.004 -1.468 1.00 63.53 H new ATOM 0 HD2 ARG A 77 -5.583 -6.048 -3.831 1.00 65.12 H new ATOM 0 HD3 ARG A 77 -5.478 -7.616 -3.056 1.00 65.12 H new ATOM 0 HE ARG A 77 -8.148 -6.957 -4.091 1.00 55.34 H new ATOM 0 HH11 ARG A 77 -5.037 -8.534 -4.676 1.00 35.03 H new ATOM 0 HH12 ARG A 77 -5.653 -9.489 -6.029 1.00 35.03 H new ATOM 0 HH21 ARG A 77 -8.920 -8.144 -5.828 1.00 43.32 H new ATOM 0 HH22 ARG A 77 -7.857 -9.267 -6.683 1.00 43.32 H new ATOM 1292 N ASN A 78 -5.550 -3.039 -3.075 1.00 71.43 N ATOM 1293 CA ASN A 78 -4.172 -2.652 -3.357 1.00 34.34 C ATOM 1294 C ASN A 78 -3.777 -1.424 -2.545 1.00 62.23 C ATOM 1295 O ASN A 78 -2.699 -1.379 -1.951 1.00 41.03 O ATOM 1296 CB ASN A 78 -3.982 -2.388 -4.857 1.00 64.40 C ATOM 1297 CG ASN A 78 -3.962 -3.667 -5.679 1.00 22.34 C ATOM 1298 OD1 ASN A 78 -4.529 -4.685 -5.285 1.00 13.33 O ATOM 1299 ND2 ASN A 78 -3.317 -3.622 -6.836 1.00 35.54 N ATOM 0 H ASN A 78 -6.177 -2.973 -3.877 1.00 71.43 H new ATOM 0 HA ASN A 78 -3.522 -3.477 -3.066 1.00 34.34 H new ATOM 0 HB2 ASN A 78 -4.786 -1.744 -5.213 1.00 64.40 H new ATOM 0 HB3 ASN A 78 -3.048 -1.847 -5.011 1.00 64.40 H new ATOM 0 HD21 ASN A 78 -3.280 -4.449 -7.432 1.00 35.54 H new ATOM 0 HD22 ASN A 78 -2.858 -2.760 -7.131 1.00 35.54 H new ATOM 1306 N LEU A 79 -4.668 -0.443 -2.495 1.00 31.15 N ATOM 1307 CA LEU A 79 -4.426 0.770 -1.718 1.00 2.43 C ATOM 1308 C LEU A 79 -4.330 0.447 -0.230 1.00 42.53 C ATOM 1309 O LEU A 79 -3.563 1.071 0.499 1.00 54.12 O ATOM 1310 CB LEU A 79 -5.524 1.815 -1.960 1.00 14.35 C ATOM 1311 CG LEU A 79 -5.578 2.402 -3.373 1.00 34.22 C ATOM 1312 CD1 LEU A 79 -6.675 3.449 -3.470 1.00 61.23 C ATOM 1313 CD2 LEU A 79 -4.232 3.001 -3.756 1.00 21.51 C ATOM 0 H LEU A 79 -5.564 -0.461 -2.982 1.00 31.15 H new ATOM 0 HA LEU A 79 -3.476 1.190 -2.050 1.00 2.43 H new ATOM 0 HB2 LEU A 79 -6.489 1.360 -1.738 1.00 14.35 H new ATOM 0 HB3 LEU A 79 -5.386 2.632 -1.252 1.00 14.35 H new ATOM 0 HG LEU A 79 -5.805 1.597 -4.072 1.00 34.22 H new ATOM 0 HD11 LEU A 79 -6.700 3.857 -4.481 1.00 61.23 H new ATOM 0 HD12 LEU A 79 -7.637 2.991 -3.239 1.00 61.23 H new ATOM 0 HD13 LEU A 79 -6.476 4.252 -2.760 1.00 61.23 H new ATOM 0 HD21 LEU A 79 -4.291 3.413 -4.763 1.00 21.51 H new ATOM 0 HD22 LEU A 79 -3.974 3.794 -3.054 1.00 21.51 H new ATOM 0 HD23 LEU A 79 -3.467 2.226 -3.725 1.00 21.51 H new ATOM 1325 N SER A 80 -5.097 -0.542 0.215 1.00 4.01 N ATOM 1326 CA SER A 80 -5.067 -0.959 1.610 1.00 52.04 C ATOM 1327 C SER A 80 -3.756 -1.671 1.929 1.00 73.44 C ATOM 1328 O SER A 80 -3.327 -1.709 3.081 1.00 43.03 O ATOM 1329 CB SER A 80 -6.250 -1.874 1.931 1.00 43.24 C ATOM 1330 OG SER A 80 -6.315 -2.169 3.320 1.00 50.24 O ATOM 0 H SER A 80 -5.746 -1.069 -0.370 1.00 4.01 H new ATOM 0 HA SER A 80 -5.142 -0.065 2.229 1.00 52.04 H new ATOM 0 HB2 SER A 80 -7.178 -1.397 1.615 1.00 43.24 H new ATOM 0 HB3 SER A 80 -6.159 -2.801 1.364 1.00 43.24 H new ATOM 0 HG SER A 80 -7.082 -2.754 3.495 1.00 50.24 H new ATOM 1336 N THR A 81 -3.125 -2.236 0.912 1.00 41.12 N ATOM 1337 CA THR A 81 -1.834 -2.876 1.088 1.00 44.13 C ATOM 1338 C THR A 81 -0.756 -1.810 1.247 1.00 63.43 C ATOM 1339 O THR A 81 0.132 -1.921 2.095 1.00 32.11 O ATOM 1340 CB THR A 81 -1.502 -3.793 -0.102 1.00 50.31 C ATOM 1341 OG1 THR A 81 -2.622 -4.642 -0.384 1.00 45.34 O ATOM 1342 CG2 THR A 81 -0.280 -4.650 0.198 1.00 12.30 C ATOM 0 H THR A 81 -3.486 -2.264 -0.042 1.00 41.12 H new ATOM 0 HA THR A 81 -1.872 -3.494 1.985 1.00 44.13 H new ATOM 0 HB THR A 81 -1.284 -3.167 -0.968 1.00 50.31 H new ATOM 0 HG1 THR A 81 -3.375 -4.098 -0.696 1.00 45.34 H new ATOM 0 HG21 THR A 81 -0.065 -5.290 -0.658 1.00 12.30 H new ATOM 0 HG22 THR A 81 0.577 -4.006 0.394 1.00 12.30 H new ATOM 0 HG23 THR A 81 -0.476 -5.269 1.073 1.00 12.30 H new ATOM 1350 N ILE A 82 -0.865 -0.765 0.436 1.00 74.31 N ATOM 1351 CA ILE A 82 -0.011 0.406 0.567 1.00 64.34 C ATOM 1352 C ILE A 82 -0.252 1.064 1.923 1.00 71.23 C ATOM 1353 O ILE A 82 0.680 1.506 2.594 1.00 15.12 O ATOM 1354 CB ILE A 82 -0.294 1.423 -0.564 1.00 55.52 C ATOM 1355 CG1 ILE A 82 0.002 0.790 -1.926 1.00 13.13 C ATOM 1356 CG2 ILE A 82 0.519 2.700 -0.376 1.00 14.43 C ATOM 1357 CD1 ILE A 82 -0.367 1.672 -3.100 1.00 71.21 C ATOM 0 H ILE A 82 -1.542 -0.706 -0.324 1.00 74.31 H new ATOM 0 HA ILE A 82 1.029 0.088 0.492 1.00 64.34 H new ATOM 0 HB ILE A 82 -1.349 1.694 -0.523 1.00 55.52 H new ATOM 0 HG12 ILE A 82 1.064 0.551 -1.982 1.00 13.13 H new ATOM 0 HG13 ILE A 82 -0.542 -0.151 -2.005 1.00 13.13 H new ATOM 0 HG21 ILE A 82 0.298 3.395 -1.186 1.00 14.43 H new ATOM 0 HG22 ILE A 82 0.259 3.160 0.577 1.00 14.43 H new ATOM 0 HG23 ILE A 82 1.582 2.459 -0.384 1.00 14.43 H new ATOM 0 HD11 ILE A 82 -0.129 1.157 -4.031 1.00 71.21 H new ATOM 0 HD12 ILE A 82 -1.434 1.891 -3.069 1.00 71.21 H new ATOM 0 HD13 ILE A 82 0.196 2.604 -3.046 1.00 71.21 H new ATOM 1369 N LYS A 83 -1.517 1.092 2.325 1.00 11.51 N ATOM 1370 CA LYS A 83 -1.926 1.653 3.609 1.00 31.12 C ATOM 1371 C LYS A 83 -1.154 1.010 4.760 1.00 65.33 C ATOM 1372 O LYS A 83 -0.875 1.664 5.757 1.00 33.30 O ATOM 1373 CB LYS A 83 -3.431 1.437 3.813 1.00 50.31 C ATOM 1374 CG LYS A 83 -4.192 2.652 4.332 1.00 75.34 C ATOM 1375 CD LYS A 83 -3.565 3.221 5.591 1.00 71.10 C ATOM 1376 CE LYS A 83 -4.536 4.108 6.348 1.00 24.42 C ATOM 1377 NZ LYS A 83 -3.886 4.755 7.516 1.00 3.15 N ATOM 0 H LYS A 83 -2.290 0.726 1.770 1.00 11.51 H new ATOM 0 HA LYS A 83 -1.705 2.720 3.601 1.00 31.12 H new ATOM 0 HB2 LYS A 83 -3.871 1.130 2.864 1.00 50.31 H new ATOM 0 HB3 LYS A 83 -3.573 0.613 4.512 1.00 50.31 H new ATOM 0 HG2 LYS A 83 -4.217 3.421 3.560 1.00 75.34 H new ATOM 0 HG3 LYS A 83 -5.225 2.372 4.536 1.00 75.34 H new ATOM 0 HD2 LYS A 83 -3.238 2.405 6.236 1.00 71.10 H new ATOM 0 HD3 LYS A 83 -2.676 3.795 5.328 1.00 71.10 H new ATOM 0 HE2 LYS A 83 -4.929 4.874 5.679 1.00 24.42 H new ATOM 0 HE3 LYS A 83 -5.385 3.514 6.686 1.00 24.42 H new ATOM 0 HZ1 LYS A 83 -4.615 5.097 8.174 1.00 3.15 H new ATOM 0 HZ2 LYS A 83 -3.278 4.065 8.001 1.00 3.15 H new ATOM 0 HZ3 LYS A 83 -3.309 5.557 7.192 1.00 3.15 H new ATOM 1391 N ILE A 84 -0.801 -0.260 4.612 1.00 12.14 N ATOM 1392 CA ILE A 84 -0.096 -0.982 5.666 1.00 23.11 C ATOM 1393 C ILE A 84 1.263 -0.352 5.959 1.00 4.23 C ATOM 1394 O ILE A 84 1.559 -0.024 7.110 1.00 31.44 O ATOM 1395 CB ILE A 84 0.087 -2.473 5.307 1.00 30.54 C ATOM 1396 CG1 ILE A 84 -1.279 -3.141 5.107 1.00 44.23 C ATOM 1397 CG2 ILE A 84 0.884 -3.196 6.390 1.00 54.54 C ATOM 1398 CD1 ILE A 84 -1.197 -4.586 4.661 1.00 13.40 C ATOM 0 H ILE A 84 -0.990 -0.811 3.775 1.00 12.14 H new ATOM 0 HA ILE A 84 -0.713 -0.914 6.562 1.00 23.11 H new ATOM 0 HB ILE A 84 0.647 -2.538 4.374 1.00 30.54 H new ATOM 0 HG12 ILE A 84 -1.837 -3.091 6.042 1.00 44.23 H new ATOM 0 HG13 ILE A 84 -1.845 -2.574 4.367 1.00 44.23 H new ATOM 0 HG21 ILE A 84 1.001 -4.245 6.117 1.00 54.54 H new ATOM 0 HG22 ILE A 84 1.867 -2.735 6.488 1.00 54.54 H new ATOM 0 HG23 ILE A 84 0.354 -3.126 7.340 1.00 54.54 H new ATOM 0 HD11 ILE A 84 -2.203 -4.988 4.542 1.00 13.40 H new ATOM 0 HD12 ILE A 84 -0.668 -4.644 3.710 1.00 13.40 H new ATOM 0 HD13 ILE A 84 -0.661 -5.168 5.410 1.00 13.40 H new ATOM 1410 N TYR A 85 2.080 -0.154 4.929 1.00 50.25 N ATOM 1411 CA TYR A 85 3.412 0.389 5.139 1.00 23.20 C ATOM 1412 C TYR A 85 3.327 1.875 5.480 1.00 41.12 C ATOM 1413 O TYR A 85 4.140 2.394 6.243 1.00 11.42 O ATOM 1414 CB TYR A 85 4.319 0.135 3.922 1.00 74.21 C ATOM 1415 CG TYR A 85 4.389 1.257 2.903 1.00 64.45 C ATOM 1416 CD1 TYR A 85 5.300 2.299 3.050 1.00 71.33 C ATOM 1417 CD2 TYR A 85 3.552 1.272 1.799 1.00 32.53 C ATOM 1418 CE1 TYR A 85 5.372 3.319 2.122 1.00 30.11 C ATOM 1419 CE2 TYR A 85 3.620 2.288 0.866 1.00 22.11 C ATOM 1420 CZ TYR A 85 4.527 3.310 1.034 1.00 62.41 C ATOM 1421 OH TYR A 85 4.589 4.327 0.112 1.00 3.23 O ATOM 0 H TYR A 85 1.846 -0.358 3.957 1.00 50.25 H new ATOM 0 HA TYR A 85 3.866 -0.127 5.985 1.00 23.20 H new ATOM 0 HB2 TYR A 85 5.328 -0.067 4.281 1.00 74.21 H new ATOM 0 HB3 TYR A 85 3.973 -0.767 3.417 1.00 74.21 H new ATOM 0 HD1 TYR A 85 5.961 2.310 3.904 1.00 71.33 H new ATOM 0 HD2 TYR A 85 2.834 0.476 1.666 1.00 32.53 H new ATOM 0 HE1 TYR A 85 6.086 4.119 2.248 1.00 30.11 H new ATOM 0 HE2 TYR A 85 2.964 2.281 0.008 1.00 22.11 H new ATOM 0 HH TYR A 85 4.241 4.011 -0.748 1.00 3.23 H new ATOM 1431 N VAL A 86 2.323 2.548 4.925 1.00 43.13 N ATOM 1432 CA VAL A 86 2.082 3.953 5.230 1.00 2.22 C ATOM 1433 C VAL A 86 1.695 4.112 6.697 1.00 25.22 C ATOM 1434 O VAL A 86 2.288 4.905 7.421 1.00 62.45 O ATOM 1435 CB VAL A 86 0.971 4.542 4.332 1.00 54.33 C ATOM 1436 CG1 VAL A 86 0.620 5.962 4.744 1.00 52.33 C ATOM 1437 CG2 VAL A 86 1.402 4.510 2.876 1.00 23.54 C ATOM 0 H VAL A 86 1.663 2.142 4.261 1.00 43.13 H new ATOM 0 HA VAL A 86 3.005 4.500 5.034 1.00 2.22 H new ATOM 0 HB VAL A 86 0.079 3.927 4.455 1.00 54.33 H new ATOM 0 HG11 VAL A 86 -0.164 6.347 4.092 1.00 52.33 H new ATOM 0 HG12 VAL A 86 0.269 5.965 5.776 1.00 52.33 H new ATOM 0 HG13 VAL A 86 1.504 6.594 4.660 1.00 52.33 H new ATOM 0 HG21 VAL A 86 0.611 4.928 2.253 1.00 23.54 H new ATOM 0 HG22 VAL A 86 2.310 5.099 2.752 1.00 23.54 H new ATOM 0 HG23 VAL A 86 1.594 3.480 2.576 1.00 23.54 H new ATOM 1447 N SER A 87 0.720 3.323 7.130 1.00 3.42 N ATOM 1448 CA SER A 87 0.256 3.339 8.510 1.00 64.01 C ATOM 1449 C SER A 87 1.393 3.021 9.480 1.00 74.52 C ATOM 1450 O SER A 87 1.482 3.611 10.558 1.00 71.24 O ATOM 1451 CB SER A 87 -0.893 2.343 8.677 1.00 32.10 C ATOM 1452 OG SER A 87 -2.142 3.012 8.746 1.00 61.33 O ATOM 0 H SER A 87 0.230 2.655 6.535 1.00 3.42 H new ATOM 0 HA SER A 87 -0.103 4.341 8.745 1.00 64.01 H new ATOM 0 HB2 SER A 87 -0.897 1.644 7.841 1.00 32.10 H new ATOM 0 HB3 SER A 87 -0.741 1.756 9.583 1.00 32.10 H new ATOM 0 HG SER A 87 -2.853 2.411 8.439 1.00 61.33 H new ATOM 1458 N ALA A 88 2.267 2.101 9.086 1.00 55.43 N ATOM 1459 CA ALA A 88 3.433 1.764 9.893 1.00 4.34 C ATOM 1460 C ALA A 88 4.412 2.936 9.934 1.00 14.24 C ATOM 1461 O ALA A 88 4.952 3.276 10.988 1.00 31.42 O ATOM 1462 CB ALA A 88 4.114 0.520 9.344 1.00 15.10 C ATOM 0 H ALA A 88 2.190 1.577 8.215 1.00 55.43 H new ATOM 0 HA ALA A 88 3.102 1.557 10.911 1.00 4.34 H new ATOM 0 HB1 ALA A 88 4.983 0.281 9.957 1.00 15.10 H new ATOM 0 HB2 ALA A 88 3.415 -0.316 9.363 1.00 15.10 H new ATOM 0 HB3 ALA A 88 4.433 0.703 8.318 1.00 15.10 H new ATOM 1468 N ALA A 89 4.616 3.559 8.779 1.00 64.34 N ATOM 1469 CA ALA A 89 5.536 4.685 8.662 1.00 32.30 C ATOM 1470 C ALA A 89 5.016 5.909 9.398 1.00 3.51 C ATOM 1471 O ALA A 89 5.794 6.755 9.831 1.00 55.44 O ATOM 1472 CB ALA A 89 5.794 5.016 7.200 1.00 71.54 C ATOM 0 H ALA A 89 4.155 3.302 7.906 1.00 64.34 H new ATOM 0 HA ALA A 89 6.477 4.391 9.127 1.00 32.30 H new ATOM 0 HB1 ALA A 89 6.482 5.858 7.134 1.00 71.54 H new ATOM 0 HB2 ALA A 89 6.231 4.150 6.703 1.00 71.54 H new ATOM 0 HB3 ALA A 89 4.854 5.277 6.715 1.00 71.54 H new ATOM 1478 N ILE A 90 3.707 6.010 9.529 1.00 62.51 N ATOM 1479 CA ILE A 90 3.107 7.109 10.266 1.00 21.24 C ATOM 1480 C ILE A 90 3.196 6.851 11.767 1.00 32.04 C ATOM 1481 O ILE A 90 3.346 7.778 12.564 1.00 12.54 O ATOM 1482 CB ILE A 90 1.631 7.324 9.856 1.00 13.11 C ATOM 1483 CG1 ILE A 90 1.544 7.704 8.377 1.00 64.14 C ATOM 1484 CG2 ILE A 90 0.972 8.397 10.719 1.00 34.13 C ATOM 1485 CD1 ILE A 90 0.130 7.791 7.854 1.00 2.01 C ATOM 0 H ILE A 90 3.039 5.347 9.136 1.00 62.51 H new ATOM 0 HA ILE A 90 3.663 8.014 10.022 1.00 21.24 H new ATOM 0 HB ILE A 90 1.095 6.388 10.013 1.00 13.11 H new ATOM 0 HG12 ILE A 90 2.037 8.665 8.228 1.00 64.14 H new ATOM 0 HG13 ILE A 90 2.095 6.969 7.789 1.00 64.14 H new ATOM 0 HG21 ILE A 90 -0.065 8.527 10.409 1.00 34.13 H new ATOM 0 HG22 ILE A 90 1.002 8.092 11.765 1.00 34.13 H new ATOM 0 HG23 ILE A 90 1.507 9.339 10.600 1.00 34.13 H new ATOM 0 HD11 ILE A 90 0.148 8.065 6.799 1.00 2.01 H new ATOM 0 HD12 ILE A 90 -0.361 6.825 7.970 1.00 2.01 H new ATOM 0 HD13 ILE A 90 -0.420 8.546 8.415 1.00 2.01 H new ATOM 1497 N LYS A 91 3.143 5.579 12.139 1.00 1.21 N ATOM 1498 CA LYS A 91 3.134 5.202 13.541 1.00 11.53 C ATOM 1499 C LYS A 91 4.535 5.334 14.114 1.00 45.05 C ATOM 1500 O LYS A 91 4.719 5.847 15.220 1.00 61.14 O ATOM 1501 CB LYS A 91 2.607 3.776 13.700 1.00 52.13 C ATOM 1502 CG LYS A 91 2.160 3.447 15.111 1.00 74.51 C ATOM 1503 CD LYS A 91 1.247 2.236 15.125 1.00 41.43 C ATOM 1504 CE LYS A 91 0.572 2.062 16.477 1.00 21.04 C ATOM 1505 NZ LYS A 91 -0.497 1.031 16.436 1.00 12.40 N ATOM 0 H LYS A 91 3.106 4.794 11.489 1.00 1.21 H new ATOM 0 HA LYS A 91 2.471 5.869 14.092 1.00 11.53 H new ATOM 0 HB2 LYS A 91 1.769 3.630 13.019 1.00 52.13 H new ATOM 0 HB3 LYS A 91 3.386 3.074 13.402 1.00 52.13 H new ATOM 0 HG2 LYS A 91 3.032 3.257 15.737 1.00 74.51 H new ATOM 0 HG3 LYS A 91 1.640 4.303 15.540 1.00 74.51 H new ATOM 0 HD2 LYS A 91 0.488 2.342 14.349 1.00 41.43 H new ATOM 0 HD3 LYS A 91 1.823 1.342 14.887 1.00 41.43 H new ATOM 0 HE2 LYS A 91 1.318 1.782 17.221 1.00 21.04 H new ATOM 0 HE3 LYS A 91 0.146 3.014 16.795 1.00 21.04 H new ATOM 0 HZ1 LYS A 91 -0.931 0.944 17.377 1.00 12.40 H new ATOM 0 HZ2 LYS A 91 -1.222 1.310 15.745 1.00 12.40 H new ATOM 0 HZ3 LYS A 91 -0.087 0.117 16.158 1.00 12.40 H new ATOM 1519 N LYS A 92 5.519 4.874 13.348 1.00 70.05 N ATOM 1520 CA LYS A 92 6.917 5.106 13.677 1.00 75.14 C ATOM 1521 C LYS A 92 7.811 4.686 12.519 1.00 64.55 C ATOM 1522 O LYS A 92 8.449 3.633 12.553 1.00 42.23 O ATOM 1523 CB LYS A 92 7.333 4.363 14.947 1.00 34.00 C ATOM 1524 CG LYS A 92 8.556 4.968 15.608 1.00 52.22 C ATOM 1525 CD LYS A 92 8.270 6.383 16.082 1.00 13.33 C ATOM 1526 CE LYS A 92 9.521 7.075 16.588 1.00 21.21 C ATOM 1527 NZ LYS A 92 9.225 8.451 17.060 1.00 63.21 N ATOM 0 H LYS A 92 5.371 4.337 12.493 1.00 70.05 H new ATOM 0 HA LYS A 92 7.035 6.174 13.858 1.00 75.14 H new ATOM 0 HB2 LYS A 92 6.503 4.369 15.654 1.00 34.00 H new ATOM 0 HB3 LYS A 92 7.536 3.320 14.702 1.00 34.00 H new ATOM 0 HG2 LYS A 92 8.860 4.351 16.454 1.00 52.22 H new ATOM 0 HG3 LYS A 92 9.388 4.977 14.904 1.00 52.22 H new ATOM 0 HD2 LYS A 92 7.842 6.961 15.263 1.00 13.33 H new ATOM 0 HD3 LYS A 92 7.524 6.356 16.876 1.00 13.33 H new ATOM 0 HE2 LYS A 92 9.956 6.495 17.402 1.00 21.21 H new ATOM 0 HE3 LYS A 92 10.265 7.114 15.792 1.00 21.21 H new ATOM 0 HZ1 LYS A 92 10.101 8.897 17.400 1.00 63.21 H new ATOM 0 HZ2 LYS A 92 8.833 9.010 16.276 1.00 63.21 H new ATOM 0 HZ3 LYS A 92 8.534 8.411 17.836 1.00 63.21 H new ATOM 1541 N GLY A 93 7.835 5.503 11.482 1.00 73.21 N ATOM 1542 CA GLY A 93 8.655 5.196 10.330 1.00 74.52 C ATOM 1543 C GLY A 93 9.222 6.428 9.651 1.00 63.45 C ATOM 1544 O GLY A 93 10.439 6.622 9.625 1.00 53.13 O ATOM 0 H GLY A 93 7.304 6.371 11.415 1.00 73.21 H new ATOM 0 HA2 GLY A 93 9.476 4.550 10.639 1.00 74.52 H new ATOM 0 HA3 GLY A 93 8.061 4.634 9.610 1.00 74.52 H new ATOM 1548 N TYR A 94 8.347 7.269 9.109 1.00 43.21 N ATOM 1549 CA TYR A 94 8.785 8.409 8.316 1.00 0.40 C ATOM 1550 C TYR A 94 7.670 9.446 8.198 1.00 10.54 C ATOM 1551 O TYR A 94 7.876 10.628 8.478 1.00 3.22 O ATOM 1552 CB TYR A 94 9.196 7.923 6.925 1.00 61.23 C ATOM 1553 CG TYR A 94 10.295 8.733 6.277 1.00 1.20 C ATOM 1554 CD1 TYR A 94 11.489 8.954 6.944 1.00 61.14 C ATOM 1555 CD2 TYR A 94 10.152 9.253 4.995 1.00 11.44 C ATOM 1556 CE1 TYR A 94 12.510 9.672 6.360 1.00 71.35 C ATOM 1557 CE2 TYR A 94 11.176 9.969 4.399 1.00 45.35 C ATOM 1558 CZ TYR A 94 12.352 10.173 5.088 1.00 30.34 C ATOM 1559 OH TYR A 94 13.384 10.874 4.504 1.00 44.32 O ATOM 0 H TYR A 94 7.335 7.182 9.204 1.00 43.21 H new ATOM 0 HA TYR A 94 9.636 8.879 8.809 1.00 0.40 H new ATOM 0 HB2 TYR A 94 9.522 6.885 6.998 1.00 61.23 H new ATOM 0 HB3 TYR A 94 8.321 7.937 6.276 1.00 61.23 H new ATOM 0 HD1 TYR A 94 11.622 8.557 7.939 1.00 61.14 H new ATOM 0 HD2 TYR A 94 9.229 9.096 4.457 1.00 11.44 H new ATOM 0 HE1 TYR A 94 13.431 9.841 6.899 1.00 71.35 H new ATOM 0 HE2 TYR A 94 11.054 10.365 3.402 1.00 45.35 H new ATOM 0 HH TYR A 94 13.118 11.160 3.605 1.00 44.32 H new ATOM 1569 N MET A 95 6.489 8.988 7.792 1.00 55.03 N ATOM 1570 CA MET A 95 5.345 9.864 7.587 1.00 21.42 C ATOM 1571 C MET A 95 4.729 10.275 8.916 1.00 73.53 C ATOM 1572 O MET A 95 4.994 9.666 9.950 1.00 3.41 O ATOM 1573 CB MET A 95 4.307 9.163 6.715 1.00 74.13 C ATOM 1574 CG MET A 95 4.805 8.845 5.315 1.00 4.31 C ATOM 1575 SD MET A 95 3.557 8.034 4.299 1.00 13.14 S ATOM 1576 CE MET A 95 2.303 9.313 4.197 1.00 63.34 C ATOM 0 H MET A 95 6.301 8.005 7.597 1.00 55.03 H new ATOM 0 HA MET A 95 5.686 10.767 7.081 1.00 21.42 H new ATOM 0 HB2 MET A 95 4.001 8.237 7.202 1.00 74.13 H new ATOM 0 HB3 MET A 95 3.420 9.793 6.642 1.00 74.13 H new ATOM 0 HG2 MET A 95 5.120 9.768 4.828 1.00 4.31 H new ATOM 0 HG3 MET A 95 5.684 8.204 5.384 1.00 4.31 H new ATOM 0 HE1 MET A 95 1.633 9.100 3.364 1.00 63.34 H new ATOM 0 HE2 MET A 95 1.732 9.337 5.125 1.00 63.34 H new ATOM 0 HE3 MET A 95 2.781 10.280 4.040 1.00 63.34 H new ATOM 1586 N GLU A 96 3.906 11.313 8.881 1.00 55.12 N ATOM 1587 CA GLU A 96 3.307 11.854 10.096 1.00 33.35 C ATOM 1588 C GLU A 96 1.793 11.974 9.966 1.00 13.23 C ATOM 1589 O GLU A 96 1.055 11.759 10.926 1.00 24.45 O ATOM 1590 CB GLU A 96 3.897 13.228 10.399 1.00 20.31 C ATOM 1591 CG GLU A 96 5.402 13.216 10.616 1.00 2.42 C ATOM 1592 CD GLU A 96 5.946 14.585 10.955 1.00 63.04 C ATOM 1593 OE1 GLU A 96 6.076 15.425 10.040 1.00 14.34 O ATOM 1594 OE2 GLU A 96 6.248 14.831 12.145 1.00 34.31 O ATOM 0 H GLU A 96 3.637 11.799 8.025 1.00 55.12 H new ATOM 0 HA GLU A 96 3.529 11.165 10.911 1.00 33.35 H new ATOM 0 HB2 GLU A 96 3.664 13.903 9.575 1.00 20.31 H new ATOM 0 HB3 GLU A 96 3.414 13.632 11.289 1.00 20.31 H new ATOM 0 HG2 GLU A 96 5.645 12.522 11.421 1.00 2.42 H new ATOM 0 HG3 GLU A 96 5.893 12.845 9.716 1.00 2.42 H new ATOM 1601 N ASN A 97 1.336 12.328 8.777 1.00 21.24 N ATOM 1602 CA ASN A 97 -0.084 12.539 8.536 1.00 5.15 C ATOM 1603 C ASN A 97 -0.605 11.502 7.562 1.00 40.20 C ATOM 1604 O ASN A 97 0.088 11.127 6.615 1.00 41.00 O ATOM 1605 CB ASN A 97 -0.343 13.947 7.983 1.00 44.32 C ATOM 1606 CG ASN A 97 -0.019 15.051 8.977 1.00 73.21 C ATOM 1607 OD1 ASN A 97 -0.252 14.797 10.257 1.00 61.30 O flip ATOM 1608 ND2 ASN A 97 0.434 16.131 8.595 1.00 21.31 N flip ATOM 0 H ASN A 97 1.929 12.476 7.960 1.00 21.24 H new ATOM 0 HA ASN A 97 -0.609 12.439 9.486 1.00 5.15 H new ATOM 0 HB2 ASN A 97 0.253 14.092 7.082 1.00 44.32 H new ATOM 0 HB3 ASN A 97 -1.389 14.028 7.689 1.00 44.32 H new ATOM 0 HD21 ASN A 97 0.601 16.291 7.602 1.00 21.31 H new ATOM 0 HD22 ASN A 97 0.642 16.865 9.272 1.00 21.31 H new ATOM 1615 N ASP A 98 -1.815 11.032 7.812 1.00 70.04 N ATOM 1616 CA ASP A 98 -2.442 10.042 6.947 1.00 75.24 C ATOM 1617 C ASP A 98 -2.987 10.705 5.688 1.00 15.25 C ATOM 1618 O ASP A 98 -3.539 11.806 5.753 1.00 4.22 O ATOM 1619 CB ASP A 98 -3.588 9.349 7.688 1.00 25.03 C ATOM 1620 CG ASP A 98 -3.469 7.840 7.684 1.00 52.02 C ATOM 1621 OD1 ASP A 98 -3.548 7.230 6.597 1.00 50.33 O ATOM 1622 OD2 ASP A 98 -3.327 7.249 8.772 1.00 2.03 O ATOM 0 H ASP A 98 -2.385 11.319 8.608 1.00 70.04 H new ATOM 0 HA ASP A 98 -1.689 9.305 6.667 1.00 75.24 H new ATOM 0 HB2 ASP A 98 -3.613 9.703 8.719 1.00 25.03 H new ATOM 0 HB3 ASP A 98 -4.535 9.634 7.229 1.00 25.03 H new ATOM 1627 N PRO A 99 -2.861 10.035 4.534 1.00 64.21 N ATOM 1628 CA PRO A 99 -3.374 10.549 3.263 1.00 44.32 C ATOM 1629 C PRO A 99 -4.897 10.657 3.238 1.00 24.13 C ATOM 1630 O PRO A 99 -5.439 11.723 2.972 1.00 53.01 O ATOM 1631 CB PRO A 99 -2.888 9.522 2.232 1.00 50.23 C ATOM 1632 CG PRO A 99 -2.615 8.285 3.014 1.00 23.23 C ATOM 1633 CD PRO A 99 -2.163 8.748 4.367 1.00 22.31 C ATOM 0 HA PRO A 99 -3.022 11.562 3.071 1.00 44.32 H new ATOM 0 HB2 PRO A 99 -3.643 9.345 1.466 1.00 50.23 H new ATOM 0 HB3 PRO A 99 -1.991 9.871 1.721 1.00 50.23 H new ATOM 0 HG2 PRO A 99 -3.509 7.666 3.091 1.00 23.23 H new ATOM 0 HG3 PRO A 99 -1.848 7.679 2.532 1.00 23.23 H new ATOM 0 HD2 PRO A 99 -2.436 8.038 5.147 1.00 22.31 H new ATOM 0 HD3 PRO A 99 -1.081 8.869 4.410 1.00 22.31 H new ATOM 1641 N PHE A 100 -5.588 9.558 3.549 1.00 5.13 N ATOM 1642 CA PHE A 100 -7.045 9.507 3.405 1.00 65.44 C ATOM 1643 C PHE A 100 -7.731 10.453 4.385 1.00 40.04 C ATOM 1644 O PHE A 100 -8.847 10.910 4.147 1.00 12.55 O ATOM 1645 CB PHE A 100 -7.570 8.080 3.595 1.00 41.31 C ATOM 1646 CG PHE A 100 -7.693 7.634 5.029 1.00 65.14 C ATOM 1647 CD1 PHE A 100 -6.581 7.248 5.753 1.00 33.13 C ATOM 1648 CD2 PHE A 100 -8.933 7.603 5.648 1.00 34.33 C ATOM 1649 CE1 PHE A 100 -6.702 6.839 7.068 1.00 50.24 C ATOM 1650 CE2 PHE A 100 -9.061 7.195 6.961 1.00 51.52 C ATOM 1651 CZ PHE A 100 -7.943 6.813 7.671 1.00 61.42 C ATOM 0 H PHE A 100 -5.167 8.698 3.899 1.00 5.13 H new ATOM 0 HA PHE A 100 -7.282 9.831 2.391 1.00 65.44 H new ATOM 0 HB2 PHE A 100 -8.548 8.002 3.121 1.00 41.31 H new ATOM 0 HB3 PHE A 100 -6.906 7.392 3.072 1.00 41.31 H new ATOM 0 HD1 PHE A 100 -5.607 7.266 5.287 1.00 33.13 H new ATOM 0 HD2 PHE A 100 -9.811 7.902 5.095 1.00 34.33 H new ATOM 0 HE1 PHE A 100 -5.825 6.540 7.623 1.00 50.24 H new ATOM 0 HE2 PHE A 100 -10.034 7.175 7.430 1.00 51.52 H new ATOM 0 HZ PHE A 100 -8.038 6.494 8.698 1.00 61.42 H new ATOM 1661 N LYS A 101 -7.048 10.743 5.482 1.00 2.15 N ATOM 1662 CA LYS A 101 -7.548 11.645 6.491 1.00 43.21 C ATOM 1663 C LYS A 101 -7.693 13.044 5.899 1.00 24.43 C ATOM 1664 O LYS A 101 -8.662 13.750 6.166 1.00 24.12 O ATOM 1665 CB LYS A 101 -6.568 11.641 7.673 1.00 33.04 C ATOM 1666 CG LYS A 101 -7.078 12.317 8.934 1.00 54.31 C ATOM 1667 CD LYS A 101 -7.137 13.825 8.791 1.00 21.34 C ATOM 1668 CE LYS A 101 -5.759 14.441 8.593 1.00 20.21 C ATOM 1669 NZ LYS A 101 -5.826 15.923 8.463 1.00 62.02 N ATOM 0 H LYS A 101 -6.129 10.354 5.692 1.00 2.15 H new ATOM 0 HA LYS A 101 -8.530 11.326 6.841 1.00 43.21 H new ATOM 0 HB2 LYS A 101 -6.313 10.608 7.910 1.00 33.04 H new ATOM 0 HB3 LYS A 101 -5.646 12.133 7.363 1.00 33.04 H new ATOM 0 HG2 LYS A 101 -8.072 11.937 9.171 1.00 54.31 H new ATOM 0 HG3 LYS A 101 -6.429 12.058 9.771 1.00 54.31 H new ATOM 0 HD2 LYS A 101 -7.773 14.083 7.944 1.00 21.34 H new ATOM 0 HD3 LYS A 101 -7.600 14.254 9.680 1.00 21.34 H new ATOM 0 HE2 LYS A 101 -5.120 14.179 9.436 1.00 20.21 H new ATOM 0 HE3 LYS A 101 -5.298 14.019 7.700 1.00 20.21 H new ATOM 0 HZ1 LYS A 101 -5.652 16.193 7.474 1.00 62.02 H new ATOM 0 HZ2 LYS A 101 -6.769 16.255 8.752 1.00 62.02 H new ATOM 0 HZ3 LYS A 101 -5.104 16.358 9.073 1.00 62.02 H new ATOM 1683 N ASP A 102 -6.724 13.425 5.081 1.00 64.12 N ATOM 1684 CA ASP A 102 -6.702 14.750 4.475 1.00 2.11 C ATOM 1685 C ASP A 102 -7.199 14.667 3.035 1.00 12.20 C ATOM 1686 O ASP A 102 -7.032 15.593 2.242 1.00 13.10 O ATOM 1687 CB ASP A 102 -5.276 15.303 4.523 1.00 42.25 C ATOM 1688 CG ASP A 102 -5.232 16.805 4.717 1.00 3.20 C ATOM 1689 OD1 ASP A 102 -5.410 17.256 5.871 1.00 60.14 O ATOM 1690 OD2 ASP A 102 -4.989 17.537 3.734 1.00 23.30 O ATOM 0 H ASP A 102 -5.937 12.832 4.819 1.00 64.12 H new ATOM 0 HA ASP A 102 -7.360 15.421 5.028 1.00 2.11 H new ATOM 0 HB2 ASP A 102 -4.732 14.821 5.335 1.00 42.25 H new ATOM 0 HB3 ASP A 102 -4.761 15.046 3.597 1.00 42.25 H new ATOM 1695 N PHE A 103 -7.831 13.544 2.720 1.00 75.24 N ATOM 1696 CA PHE A 103 -8.288 13.254 1.369 1.00 42.32 C ATOM 1697 C PHE A 103 -9.812 13.311 1.300 1.00 65.34 C ATOM 1698 O PHE A 103 -10.494 12.286 1.406 1.00 51.41 O ATOM 1699 CB PHE A 103 -7.761 11.872 0.945 1.00 55.21 C ATOM 1700 CG PHE A 103 -8.094 11.446 -0.461 1.00 1.35 C ATOM 1701 CD1 PHE A 103 -8.226 12.375 -1.481 1.00 10.21 C ATOM 1702 CD2 PHE A 103 -8.251 10.100 -0.759 1.00 3.43 C ATOM 1703 CE1 PHE A 103 -8.518 11.969 -2.771 1.00 63.23 C ATOM 1704 CE2 PHE A 103 -8.544 9.689 -2.046 1.00 42.12 C ATOM 1705 CZ PHE A 103 -8.675 10.625 -3.054 1.00 65.44 C ATOM 0 H PHE A 103 -8.041 12.809 3.395 1.00 75.24 H new ATOM 0 HA PHE A 103 -7.900 14.004 0.680 1.00 42.32 H new ATOM 0 HB2 PHE A 103 -6.677 11.867 1.059 1.00 55.21 H new ATOM 0 HB3 PHE A 103 -8.157 11.126 1.634 1.00 55.21 H new ATOM 0 HD1 PHE A 103 -8.100 13.426 -1.267 1.00 10.21 H new ATOM 0 HD2 PHE A 103 -8.143 9.364 0.024 1.00 3.43 H new ATOM 0 HE1 PHE A 103 -8.623 12.702 -3.557 1.00 63.23 H new ATOM 0 HE2 PHE A 103 -8.670 8.639 -2.263 1.00 42.12 H new ATOM 0 HZ PHE A 103 -8.900 10.307 -4.061 1.00 65.44 H new