USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=35 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+ -150:sc= 1.46 (180deg=0.191) USER MOD Set 1.2: A 87 SER OG : rot -20:sc= 1.54 USER MOD Set 2.1: A 37 MET CE :methyl -162:sc= -0.116 (180deg=-0.537) USER MOD Set 2.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 21 TYR OH : rot 11:sc= 0.845 USER MOD Set 3.2: A 33 HIS : no HD1:sc= -0.275 K(o=0.57,f=-0.1) USER MOD Single : A 8 LYS NZ :NH3+ 144:sc= -2.8! (180deg=-5.06!) USER MOD Single : A 9 SER OG : rot -64:sc= 1.2 USER MOD Single : A 11 HIS :FLIP no HD1:sc= -2.06 F(o=-4.1!,f=-2.1) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 155:sc= -0.426 (180deg=-1.36!) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -0.0418 (180deg=-0.295) USER MOD Single : A 20 THR OG1 : rot 69:sc= 1.22 USER MOD Single : A 22 SER OG : rot 128:sc= 1.04 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0.0226 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 -59:sc= -0.19 USER MOD Single : A 48 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.17) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -1.38 F(o=-2,f=-1.4) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 60 TYR OH : rot -103:sc= 1.21 USER MOD Single : A 63 TYR OH : rot -125:sc= 0.00165 USER MOD Single : A 64 MET CE :methyl 154:sc= -0.531 (180deg=-2.05!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -137:sc= -0.225 (180deg=-0.812) USER MOD Single : A 67 THR OG1 : rot 149:sc= 0.326 USER MOD Single : A 69 CYS SG : rot 33:sc= 0.242 USER MOD Single : A 70 ASN : amide:sc= -1.01 K(o=-1,f=-2.6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0064 USER MOD Single : A 76 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.14) USER MOD Single : A 78 ASN : amide:sc= 1.41 K(o=1.4,f=-1.1) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 141:sc= 0.166 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 163:sc= -0.0177 (180deg=-0.311) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 165:sc= -0.196 (180deg=-0.737) USER MOD Single : A 97 ASN : amide:sc= 0.231 X(o=0.23,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -0.0242 (180deg=-0.269) USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 7 15.877 -1.369 0.261 1.00 51.10 N ATOM 86 CA PHE A 7 14.581 -1.119 -0.321 1.00 52.21 C ATOM 87 C PHE A 7 14.619 0.192 -1.075 1.00 3.44 C ATOM 88 O PHE A 7 14.977 1.228 -0.515 1.00 40.30 O ATOM 89 CB PHE A 7 13.504 -1.056 0.752 1.00 70.20 C ATOM 90 CG PHE A 7 13.721 -2.009 1.894 1.00 72.42 C ATOM 91 CD1 PHE A 7 13.449 -3.358 1.742 1.00 41.45 C ATOM 92 CD2 PHE A 7 14.196 -1.560 3.114 1.00 53.42 C ATOM 93 CE1 PHE A 7 13.647 -4.242 2.783 1.00 52.31 C ATOM 94 CE2 PHE A 7 14.397 -2.439 4.161 1.00 62.14 C ATOM 95 CZ PHE A 7 14.122 -3.782 3.995 1.00 11.42 C ATOM 0 HA PHE A 7 14.341 -1.937 -1.000 1.00 52.21 H new ATOM 0 HB2 PHE A 7 13.456 -0.040 1.144 1.00 70.20 H new ATOM 0 HB3 PHE A 7 12.537 -1.267 0.295 1.00 70.20 H new ATOM 0 HD1 PHE A 7 13.077 -3.723 0.796 1.00 41.45 H new ATOM 0 HD2 PHE A 7 14.412 -0.510 3.249 1.00 53.42 H new ATOM 0 HE1 PHE A 7 13.431 -5.292 2.650 1.00 52.31 H new ATOM 0 HE2 PHE A 7 14.769 -2.076 5.108 1.00 62.14 H new ATOM 0 HZ PHE A 7 14.278 -4.471 4.812 1.00 11.42 H new ATOM 105 N LYS A 8 14.265 0.147 -2.341 1.00 30.11 N ATOM 106 CA LYS A 8 14.310 1.326 -3.178 1.00 12.05 C ATOM 107 C LYS A 8 12.994 2.082 -3.132 1.00 73.03 C ATOM 108 O LYS A 8 12.965 3.299 -3.282 1.00 12.24 O ATOM 109 CB LYS A 8 14.602 0.926 -4.618 1.00 63.21 C ATOM 110 CG LYS A 8 15.928 0.211 -4.812 1.00 0.53 C ATOM 111 CD LYS A 8 16.118 -0.261 -6.249 1.00 73.34 C ATOM 112 CE LYS A 8 15.254 -1.470 -6.594 1.00 71.33 C ATOM 113 NZ LYS A 8 13.795 -1.168 -6.576 1.00 71.14 N ATOM 0 H LYS A 8 13.942 -0.697 -2.815 1.00 30.11 H new ATOM 0 HA LYS A 8 15.100 1.975 -2.801 1.00 12.05 H new ATOM 0 HB2 LYS A 8 13.799 0.280 -4.973 1.00 63.21 H new ATOM 0 HB3 LYS A 8 14.591 1.821 -5.241 1.00 63.21 H new ATOM 0 HG2 LYS A 8 16.744 0.880 -4.540 1.00 0.53 H new ATOM 0 HG3 LYS A 8 15.980 -0.645 -4.139 1.00 0.53 H new ATOM 0 HD2 LYS A 8 15.879 0.556 -6.929 1.00 73.34 H new ATOM 0 HD3 LYS A 8 17.167 -0.512 -6.408 1.00 73.34 H new ATOM 0 HE2 LYS A 8 15.531 -1.837 -7.582 1.00 71.33 H new ATOM 0 HE3 LYS A 8 15.462 -2.272 -5.886 1.00 71.33 H new ATOM 0 HZ1 LYS A 8 13.320 -1.706 -7.329 1.00 71.14 H new ATOM 0 HZ2 LYS A 8 13.396 -1.436 -5.654 1.00 71.14 H new ATOM 0 HZ3 LYS A 8 13.649 -0.150 -6.733 1.00 71.14 H new ATOM 127 N SER A 9 11.911 1.362 -2.889 1.00 52.21 N ATOM 128 CA SER A 9 10.581 1.914 -3.113 1.00 55.44 C ATOM 129 C SER A 9 9.583 1.427 -2.071 1.00 62.23 C ATOM 130 O SER A 9 9.903 0.580 -1.236 1.00 1.23 O ATOM 131 CB SER A 9 10.082 1.518 -4.505 1.00 43.10 C ATOM 132 OG SER A 9 11.055 1.778 -5.500 1.00 42.42 O ATOM 0 H SER A 9 11.923 0.404 -2.540 1.00 52.21 H new ATOM 0 HA SER A 9 10.659 2.998 -3.032 1.00 55.44 H new ATOM 0 HB2 SER A 9 9.827 0.458 -4.513 1.00 43.10 H new ATOM 0 HB3 SER A 9 9.169 2.068 -4.735 1.00 43.10 H new ATOM 0 HG SER A 9 11.218 2.743 -5.554 1.00 42.42 H new ATOM 138 N PHE A 10 8.360 1.954 -2.148 1.00 14.12 N ATOM 139 CA PHE A 10 7.294 1.577 -1.229 1.00 0.15 C ATOM 140 C PHE A 10 7.001 0.082 -1.294 1.00 63.11 C ATOM 141 O PHE A 10 6.758 -0.544 -0.269 1.00 43.11 O ATOM 142 CB PHE A 10 6.019 2.383 -1.517 1.00 50.21 C ATOM 143 CG PHE A 10 5.431 2.166 -2.885 1.00 24.34 C ATOM 144 CD1 PHE A 10 5.906 2.871 -3.979 1.00 61.42 C ATOM 145 CD2 PHE A 10 4.398 1.259 -3.073 1.00 1.43 C ATOM 146 CE1 PHE A 10 5.364 2.674 -5.233 1.00 15.50 C ATOM 147 CE2 PHE A 10 3.853 1.059 -4.327 1.00 25.42 C ATOM 148 CZ PHE A 10 4.336 1.768 -5.408 1.00 21.14 C ATOM 0 H PHE A 10 8.086 2.648 -2.844 1.00 14.12 H new ATOM 0 HA PHE A 10 7.635 1.808 -0.220 1.00 0.15 H new ATOM 0 HB2 PHE A 10 5.268 2.128 -0.769 1.00 50.21 H new ATOM 0 HB3 PHE A 10 6.241 3.443 -1.396 1.00 50.21 H new ATOM 0 HD1 PHE A 10 6.709 3.582 -3.849 1.00 61.42 H new ATOM 0 HD2 PHE A 10 4.016 0.703 -2.230 1.00 1.43 H new ATOM 0 HE1 PHE A 10 5.744 3.229 -6.078 1.00 15.50 H new ATOM 0 HE2 PHE A 10 3.050 0.349 -4.461 1.00 25.42 H new ATOM 0 HZ PHE A 10 3.911 1.615 -6.389 1.00 21.14 H new ATOM 158 N HIS A 11 7.048 -0.495 -2.496 1.00 43.54 N ATOM 159 CA HIS A 11 6.742 -1.917 -2.657 1.00 32.10 C ATOM 160 C HIS A 11 7.775 -2.768 -1.932 1.00 22.34 C ATOM 161 O HIS A 11 7.502 -3.901 -1.559 1.00 70.14 O ATOM 162 CB HIS A 11 6.637 -2.332 -4.142 1.00 34.30 C ATOM 163 CG HIS A 11 7.942 -2.482 -4.877 1.00 42.05 C ATOM 164 ND1 HIS A 11 8.543 -1.674 -5.779 1.00 3.43 N flip ATOM 165 CD2 HIS A 11 8.756 -3.590 -4.759 1.00 54.21 C flip ATOM 166 CE1 HIS A 11 9.695 -2.300 -6.186 1.00 41.43 C flip ATOM 167 NE2 HIS A 11 9.798 -3.454 -5.556 1.00 63.45 N flip ATOM 0 H HIS A 11 7.291 -0.009 -3.359 1.00 43.54 H new ATOM 0 HA HIS A 11 5.763 -2.089 -2.210 1.00 32.10 H new ATOM 0 HB2 HIS A 11 6.100 -3.279 -4.197 1.00 34.30 H new ATOM 0 HB3 HIS A 11 6.031 -1.591 -4.664 1.00 34.30 H new ATOM 0 HD2 HIS A 11 8.569 -4.436 -4.115 1.00 54.21 H new ATOM 0 HE1 HIS A 11 10.401 -1.911 -6.905 1.00 41.43 H new ATOM 0 HE2 HIS A 11 10.556 -4.128 -5.666 1.00 63.45 H new ATOM 176 N ASP A 12 8.963 -2.213 -1.742 1.00 22.12 N ATOM 177 CA ASP A 12 10.009 -2.893 -1.000 1.00 64.12 C ATOM 178 C ASP A 12 9.779 -2.743 0.499 1.00 64.44 C ATOM 179 O ASP A 12 9.828 -3.717 1.251 1.00 62.03 O ATOM 180 CB ASP A 12 11.377 -2.324 -1.367 1.00 12.40 C ATOM 181 CG ASP A 12 11.725 -2.474 -2.834 1.00 53.31 C ATOM 182 OD1 ASP A 12 12.112 -3.586 -3.249 1.00 14.35 O ATOM 183 OD2 ASP A 12 11.625 -1.473 -3.575 1.00 14.14 O ATOM 0 H ASP A 12 9.225 -1.292 -2.093 1.00 22.12 H new ATOM 0 HA ASP A 12 9.981 -3.951 -1.261 1.00 64.12 H new ATOM 0 HB2 ASP A 12 11.404 -1.267 -1.102 1.00 12.40 H new ATOM 0 HB3 ASP A 12 12.140 -2.822 -0.769 1.00 12.40 H new ATOM 188 N PHE A 13 9.522 -1.508 0.923 1.00 20.30 N ATOM 189 CA PHE A 13 9.304 -1.194 2.324 1.00 32.35 C ATOM 190 C PHE A 13 8.072 -1.917 2.864 1.00 4.23 C ATOM 191 O PHE A 13 8.127 -2.564 3.913 1.00 13.23 O ATOM 192 CB PHE A 13 9.134 0.315 2.481 1.00 74.51 C ATOM 193 CG PHE A 13 10.432 1.067 2.564 1.00 73.03 C ATOM 194 CD1 PHE A 13 11.117 1.164 3.763 1.00 51.14 C ATOM 195 CD2 PHE A 13 10.966 1.679 1.442 1.00 64.34 C ATOM 196 CE1 PHE A 13 12.311 1.855 3.843 1.00 64.53 C ATOM 197 CE2 PHE A 13 12.161 2.371 1.514 1.00 25.15 C ATOM 198 CZ PHE A 13 12.835 2.460 2.716 1.00 62.52 C ATOM 0 H PHE A 13 9.460 -0.701 0.302 1.00 20.30 H new ATOM 0 HA PHE A 13 10.169 -1.530 2.896 1.00 32.35 H new ATOM 0 HB2 PHE A 13 8.558 0.696 1.638 1.00 74.51 H new ATOM 0 HB3 PHE A 13 8.552 0.514 3.381 1.00 74.51 H new ATOM 0 HD1 PHE A 13 10.713 0.694 4.647 1.00 51.14 H new ATOM 0 HD2 PHE A 13 10.443 1.615 0.499 1.00 64.34 H new ATOM 0 HE1 PHE A 13 12.834 1.922 4.785 1.00 64.53 H new ATOM 0 HE2 PHE A 13 12.567 2.842 0.631 1.00 25.15 H new ATOM 0 HZ PHE A 13 13.768 3.000 2.775 1.00 62.52 H new ATOM 208 N VAL A 14 6.968 -1.817 2.130 1.00 33.12 N ATOM 209 CA VAL A 14 5.719 -2.454 2.529 1.00 24.23 C ATOM 210 C VAL A 14 5.865 -3.970 2.521 1.00 10.04 C ATOM 211 O VAL A 14 5.296 -4.651 3.367 1.00 35.51 O ATOM 212 CB VAL A 14 4.541 -2.030 1.615 1.00 52.15 C ATOM 213 CG1 VAL A 14 3.254 -2.751 2.004 1.00 65.31 C ATOM 214 CG2 VAL A 14 4.340 -0.521 1.673 1.00 72.34 C ATOM 0 H VAL A 14 6.914 -1.299 1.253 1.00 33.12 H new ATOM 0 HA VAL A 14 5.494 -2.122 3.542 1.00 24.23 H new ATOM 0 HB VAL A 14 4.791 -2.313 0.592 1.00 52.15 H new ATOM 0 HG11 VAL A 14 2.446 -2.433 1.345 1.00 65.31 H new ATOM 0 HG12 VAL A 14 3.397 -3.827 1.910 1.00 65.31 H new ATOM 0 HG13 VAL A 14 2.998 -2.508 3.035 1.00 65.31 H new ATOM 0 HG21 VAL A 14 3.509 -0.239 1.026 1.00 72.34 H new ATOM 0 HG22 VAL A 14 4.119 -0.223 2.698 1.00 72.34 H new ATOM 0 HG23 VAL A 14 5.248 -0.020 1.337 1.00 72.34 H new ATOM 224 N ALA A 15 6.657 -4.491 1.587 1.00 54.34 N ATOM 225 CA ALA A 15 6.874 -5.930 1.498 1.00 50.40 C ATOM 226 C ALA A 15 7.547 -6.462 2.758 1.00 30.15 C ATOM 227 O ALA A 15 7.181 -7.520 3.262 1.00 0.41 O ATOM 228 CB ALA A 15 7.709 -6.274 0.278 1.00 50.53 C ATOM 0 H ALA A 15 7.155 -3.942 0.887 1.00 54.34 H new ATOM 0 HA ALA A 15 5.898 -6.406 1.401 1.00 50.40 H new ATOM 0 HB1 ALA A 15 7.858 -7.353 0.232 1.00 50.53 H new ATOM 0 HB2 ALA A 15 7.193 -5.940 -0.622 1.00 50.53 H new ATOM 0 HB3 ALA A 15 8.676 -5.776 0.347 1.00 50.53 H new ATOM 234 N SER A 16 8.520 -5.715 3.267 1.00 1.42 N ATOM 235 CA SER A 16 9.238 -6.114 4.469 1.00 54.52 C ATOM 236 C SER A 16 8.315 -6.051 5.689 1.00 0.33 C ATOM 237 O SER A 16 8.290 -6.970 6.512 1.00 30.20 O ATOM 238 CB SER A 16 10.465 -5.222 4.676 1.00 34.44 C ATOM 239 OG SER A 16 11.277 -5.698 5.738 1.00 31.12 O ATOM 0 H SER A 16 8.829 -4.830 2.865 1.00 1.42 H new ATOM 0 HA SER A 16 9.576 -7.143 4.347 1.00 54.52 H new ATOM 0 HB2 SER A 16 11.050 -5.186 3.757 1.00 34.44 H new ATOM 0 HB3 SER A 16 10.144 -4.203 4.890 1.00 34.44 H new ATOM 0 HG SER A 16 12.053 -5.109 5.845 1.00 31.12 H new ATOM 245 N TYR A 17 7.548 -4.970 5.791 1.00 41.54 N ATOM 246 CA TYR A 17 6.585 -4.811 6.876 1.00 21.33 C ATOM 247 C TYR A 17 5.526 -5.910 6.807 1.00 14.15 C ATOM 248 O TYR A 17 5.154 -6.506 7.824 1.00 74.12 O ATOM 249 CB TYR A 17 5.924 -3.433 6.781 1.00 32.05 C ATOM 250 CG TYR A 17 4.907 -3.153 7.870 1.00 64.23 C ATOM 251 CD1 TYR A 17 5.308 -2.702 9.121 1.00 2.42 C ATOM 252 CD2 TYR A 17 3.549 -3.336 7.642 1.00 30.04 C ATOM 253 CE1 TYR A 17 4.382 -2.444 10.117 1.00 4.10 C ATOM 254 CE2 TYR A 17 2.618 -3.079 8.632 1.00 35.42 C ATOM 255 CZ TYR A 17 3.040 -2.632 9.867 1.00 23.13 C ATOM 256 OH TYR A 17 2.114 -2.382 10.858 1.00 0.42 O ATOM 0 H TYR A 17 7.575 -4.190 5.134 1.00 41.54 H new ATOM 0 HA TYR A 17 7.106 -4.891 7.830 1.00 21.33 H new ATOM 0 HB2 TYR A 17 6.699 -2.668 6.818 1.00 32.05 H new ATOM 0 HB3 TYR A 17 5.435 -3.344 5.811 1.00 32.05 H new ATOM 0 HD1 TYR A 17 6.359 -2.550 9.320 1.00 2.42 H new ATOM 0 HD2 TYR A 17 3.215 -3.685 6.676 1.00 30.04 H new ATOM 0 HE1 TYR A 17 4.710 -2.097 11.086 1.00 4.10 H new ATOM 0 HE2 TYR A 17 1.566 -3.228 8.439 1.00 35.42 H new ATOM 0 HH TYR A 17 1.213 -2.563 10.517 1.00 0.42 H new ATOM 266 N MET A 18 5.062 -6.172 5.594 1.00 3.53 N ATOM 267 CA MET A 18 4.077 -7.213 5.333 1.00 33.42 C ATOM 268 C MET A 18 4.632 -8.577 5.740 1.00 53.31 C ATOM 269 O MET A 18 3.971 -9.352 6.431 1.00 71.34 O ATOM 270 CB MET A 18 3.726 -7.207 3.842 1.00 74.01 C ATOM 271 CG MET A 18 2.481 -7.997 3.487 1.00 2.03 C ATOM 272 SD MET A 18 0.960 -7.127 3.921 1.00 51.50 S ATOM 273 CE MET A 18 1.121 -5.636 2.939 1.00 75.34 C ATOM 0 H MET A 18 5.359 -5.667 4.759 1.00 3.53 H new ATOM 0 HA MET A 18 3.178 -7.020 5.918 1.00 33.42 H new ATOM 0 HB2 MET A 18 3.591 -6.175 3.517 1.00 74.01 H new ATOM 0 HB3 MET A 18 4.569 -7.610 3.281 1.00 74.01 H new ATOM 0 HG2 MET A 18 2.482 -8.208 2.418 1.00 2.03 H new ATOM 0 HG3 MET A 18 2.505 -8.957 4.002 1.00 2.03 H new ATOM 0 HE1 MET A 18 0.132 -5.223 2.739 1.00 75.34 H new ATOM 0 HE2 MET A 18 1.716 -4.904 3.484 1.00 75.34 H new ATOM 0 HE3 MET A 18 1.613 -5.873 1.996 1.00 75.34 H new ATOM 283 N LYS A 19 5.863 -8.839 5.317 1.00 31.11 N ATOM 284 CA LYS A 19 6.571 -10.074 5.645 1.00 21.14 C ATOM 285 C LYS A 19 6.686 -10.244 7.160 1.00 3.44 C ATOM 286 O LYS A 19 6.545 -11.354 7.680 1.00 4.45 O ATOM 287 CB LYS A 19 7.960 -10.039 4.977 1.00 41.22 C ATOM 288 CG LYS A 19 8.802 -11.296 5.147 1.00 54.33 C ATOM 289 CD LYS A 19 9.490 -11.338 6.499 1.00 22.32 C ATOM 290 CE LYS A 19 10.454 -12.501 6.602 1.00 44.44 C ATOM 291 NZ LYS A 19 11.601 -12.355 5.666 1.00 5.12 N ATOM 0 H LYS A 19 6.402 -8.199 4.734 1.00 31.11 H new ATOM 0 HA LYS A 19 6.014 -10.932 5.268 1.00 21.14 H new ATOM 0 HB2 LYS A 19 7.827 -9.854 3.911 1.00 41.22 H new ATOM 0 HB3 LYS A 19 8.516 -9.193 5.380 1.00 41.22 H new ATOM 0 HG2 LYS A 19 8.168 -12.176 5.035 1.00 54.33 H new ATOM 0 HG3 LYS A 19 9.551 -11.341 4.357 1.00 54.33 H new ATOM 0 HD2 LYS A 19 10.028 -10.404 6.663 1.00 22.32 H new ATOM 0 HD3 LYS A 19 8.740 -11.416 7.286 1.00 22.32 H new ATOM 0 HE2 LYS A 19 10.826 -12.575 7.624 1.00 44.44 H new ATOM 0 HE3 LYS A 19 9.926 -13.430 6.387 1.00 44.44 H new ATOM 0 HZ1 LYS A 19 12.362 -13.006 5.945 1.00 5.12 H new ATOM 0 HZ2 LYS A 19 11.291 -12.580 4.699 1.00 5.12 H new ATOM 0 HZ3 LYS A 19 11.953 -11.377 5.698 1.00 5.12 H new ATOM 305 N THR A 20 6.913 -9.136 7.859 1.00 15.21 N ATOM 306 CA THR A 20 7.124 -9.161 9.299 1.00 33.44 C ATOM 307 C THR A 20 5.917 -9.739 10.048 1.00 30.13 C ATOM 308 O THR A 20 6.065 -10.658 10.852 1.00 1.33 O ATOM 309 CB THR A 20 7.450 -7.750 9.839 1.00 10.21 C ATOM 310 OG1 THR A 20 8.622 -7.239 9.188 1.00 31.21 O ATOM 311 CG2 THR A 20 7.681 -7.777 11.343 1.00 62.11 C ATOM 0 H THR A 20 6.955 -8.204 7.446 1.00 15.21 H new ATOM 0 HA THR A 20 7.977 -9.815 9.478 1.00 33.44 H new ATOM 0 HB THR A 20 6.597 -7.104 9.631 1.00 10.21 H new ATOM 0 HG1 THR A 20 8.420 -7.056 8.247 1.00 31.21 H new ATOM 0 HG21 THR A 20 7.908 -6.771 11.694 1.00 62.11 H new ATOM 0 HG22 THR A 20 6.783 -8.142 11.842 1.00 62.11 H new ATOM 0 HG23 THR A 20 8.517 -8.438 11.571 1.00 62.11 H new ATOM 319 N TYR A 21 4.720 -9.228 9.778 1.00 15.20 N ATOM 320 CA TYR A 21 3.537 -9.701 10.483 1.00 41.45 C ATOM 321 C TYR A 21 2.976 -10.964 9.823 1.00 0.11 C ATOM 322 O TYR A 21 2.159 -11.677 10.410 1.00 2.20 O ATOM 323 CB TYR A 21 2.478 -8.592 10.566 1.00 11.11 C ATOM 324 CG TYR A 21 1.527 -8.512 9.389 1.00 71.31 C ATOM 325 CD1 TYR A 21 1.885 -7.863 8.216 1.00 54.34 C ATOM 326 CD2 TYR A 21 0.260 -9.085 9.459 1.00 34.21 C ATOM 327 CE1 TYR A 21 1.011 -7.787 7.147 1.00 4.43 C ATOM 328 CE2 TYR A 21 -0.617 -9.012 8.396 1.00 13.33 C ATOM 329 CZ TYR A 21 -0.238 -8.365 7.243 1.00 24.25 C ATOM 330 OH TYR A 21 -1.109 -8.295 6.179 1.00 13.30 O ATOM 0 H TYR A 21 4.546 -8.498 9.087 1.00 15.20 H new ATOM 0 HA TYR A 21 3.825 -9.964 11.501 1.00 41.45 H new ATOM 0 HB2 TYR A 21 1.893 -8.738 11.474 1.00 11.11 H new ATOM 0 HB3 TYR A 21 2.987 -7.633 10.666 1.00 11.11 H new ATOM 0 HD1 TYR A 21 2.862 -7.410 8.137 1.00 54.34 H new ATOM 0 HD2 TYR A 21 -0.042 -9.596 10.361 1.00 34.21 H new ATOM 0 HE1 TYR A 21 1.305 -7.278 6.241 1.00 4.43 H new ATOM 0 HE2 TYR A 21 -1.597 -9.461 8.469 1.00 13.33 H new ATOM 0 HH TYR A 21 -0.634 -7.964 5.388 1.00 13.30 H new ATOM 340 N SER A 22 3.442 -11.246 8.609 1.00 43.20 N ATOM 341 CA SER A 22 3.042 -12.449 7.875 1.00 12.20 C ATOM 342 C SER A 22 3.535 -13.718 8.570 1.00 65.12 C ATOM 343 O SER A 22 3.115 -14.821 8.224 1.00 13.44 O ATOM 344 CB SER A 22 3.592 -12.395 6.446 1.00 44.11 C ATOM 345 OG SER A 22 3.259 -13.565 5.719 1.00 12.04 O ATOM 0 H SER A 22 4.103 -10.653 8.107 1.00 43.20 H new ATOM 0 HA SER A 22 1.953 -12.479 7.849 1.00 12.20 H new ATOM 0 HB2 SER A 22 3.192 -11.520 5.933 1.00 44.11 H new ATOM 0 HB3 SER A 22 4.675 -12.279 6.476 1.00 44.11 H new ATOM 0 HG SER A 22 2.830 -13.314 4.874 1.00 12.04 H new ATOM 351 N ARG A 23 4.417 -13.558 9.549 1.00 70.11 N ATOM 352 CA ARG A 23 4.967 -14.692 10.282 1.00 21.10 C ATOM 353 C ARG A 23 3.880 -15.420 11.068 1.00 75.55 C ATOM 354 O ARG A 23 4.028 -16.592 11.418 1.00 72.13 O ATOM 355 CB ARG A 23 6.066 -14.224 11.231 1.00 31.11 C ATOM 356 CG ARG A 23 7.218 -13.522 10.532 1.00 41.34 C ATOM 357 CD ARG A 23 8.323 -13.155 11.507 1.00 53.44 C ATOM 358 NE ARG A 23 9.108 -14.321 11.913 1.00 23.33 N ATOM 359 CZ ARG A 23 9.431 -14.601 13.177 1.00 50.31 C ATOM 360 NH1 ARG A 23 8.936 -13.882 14.176 1.00 23.21 N ATOM 361 NH2 ARG A 23 10.236 -15.616 13.450 1.00 23.02 N ATOM 0 H ARG A 23 4.768 -12.650 9.855 1.00 70.11 H new ATOM 0 HA ARG A 23 5.389 -15.387 9.556 1.00 21.10 H new ATOM 0 HB2 ARG A 23 5.634 -13.548 11.968 1.00 31.11 H new ATOM 0 HB3 ARG A 23 6.454 -15.084 11.776 1.00 31.11 H new ATOM 0 HG2 ARG A 23 7.620 -14.169 9.752 1.00 41.34 H new ATOM 0 HG3 ARG A 23 6.851 -12.621 10.041 1.00 41.34 H new ATOM 0 HD2 ARG A 23 8.981 -12.417 11.048 1.00 53.44 H new ATOM 0 HD3 ARG A 23 7.887 -12.687 12.389 1.00 53.44 H new ATOM 0 HE ARG A 23 9.428 -14.959 11.185 1.00 23.33 H new ATOM 0 HH11 ARG A 23 8.302 -13.107 13.981 1.00 23.21 H new ATOM 0 HH12 ARG A 23 9.189 -14.104 15.139 1.00 23.21 H new ATOM 0 HH21 ARG A 23 10.612 -16.187 12.693 1.00 23.02 H new ATOM 0 HH22 ARG A 23 10.481 -15.827 14.417 1.00 23.02 H new ATOM 375 N ARG A 24 2.793 -14.718 11.345 1.00 22.21 N ATOM 376 CA ARG A 24 1.687 -15.298 12.093 1.00 12.33 C ATOM 377 C ARG A 24 0.709 -16.021 11.169 1.00 0.22 C ATOM 378 O ARG A 24 0.234 -17.109 11.490 1.00 32.25 O ATOM 379 CB ARG A 24 0.937 -14.220 12.875 1.00 31.33 C ATOM 380 CG ARG A 24 1.802 -13.438 13.850 1.00 61.31 C ATOM 381 CD ARG A 24 0.948 -12.498 14.682 1.00 63.20 C ATOM 382 NE ARG A 24 1.739 -11.616 15.536 1.00 2.11 N ATOM 383 CZ ARG A 24 1.389 -11.288 16.781 1.00 23.34 C ATOM 384 NH1 ARG A 24 0.371 -11.908 17.367 1.00 1.51 N ATOM 385 NH2 ARG A 24 2.074 -10.367 17.448 1.00 43.53 N ATOM 0 H ARG A 24 2.652 -13.748 11.064 1.00 22.21 H new ATOM 0 HA ARG A 24 2.113 -16.021 12.789 1.00 12.33 H new ATOM 0 HB2 ARG A 24 0.485 -13.523 12.169 1.00 31.33 H new ATOM 0 HB3 ARG A 24 0.122 -14.689 13.426 1.00 31.33 H new ATOM 0 HG2 ARG A 24 2.338 -14.127 14.503 1.00 61.31 H new ATOM 0 HG3 ARG A 24 2.553 -12.868 13.303 1.00 61.31 H new ATOM 0 HD2 ARG A 24 0.330 -11.894 14.018 1.00 63.20 H new ATOM 0 HD3 ARG A 24 0.270 -13.084 15.303 1.00 63.20 H new ATOM 0 HE ARG A 24 2.605 -11.230 15.161 1.00 2.11 H new ATOM 0 HH11 ARG A 24 -0.141 -12.633 16.865 1.00 1.51 H new ATOM 0 HH12 ARG A 24 0.102 -11.659 18.319 1.00 1.51 H new ATOM 0 HH21 ARG A 24 2.871 -9.907 17.009 1.00 43.53 H new ATOM 0 HH22 ARG A 24 1.803 -10.119 18.400 1.00 43.53 H new ATOM 399 N LEU A 25 0.422 -15.422 10.022 1.00 60.13 N ATOM 400 CA LEU A 25 -0.602 -15.929 9.130 1.00 50.24 C ATOM 401 C LEU A 25 -0.032 -16.899 8.103 1.00 14.55 C ATOM 402 O LEU A 25 1.181 -17.096 8.009 1.00 73.21 O ATOM 403 CB LEU A 25 -1.317 -14.760 8.438 1.00 21.13 C ATOM 404 CG LEU A 25 -0.424 -13.647 7.880 1.00 23.11 C ATOM 405 CD1 LEU A 25 0.219 -14.062 6.570 1.00 43.10 C ATOM 406 CD2 LEU A 25 -1.227 -12.369 7.692 1.00 55.11 C ATOM 0 H LEU A 25 0.889 -14.579 9.689 1.00 60.13 H new ATOM 0 HA LEU A 25 -1.323 -16.486 9.728 1.00 50.24 H new ATOM 0 HB2 LEU A 25 -1.914 -15.162 7.619 1.00 21.13 H new ATOM 0 HB3 LEU A 25 -2.012 -14.315 9.150 1.00 21.13 H new ATOM 0 HG LEU A 25 0.372 -13.462 8.602 1.00 23.11 H new ATOM 0 HD11 LEU A 25 0.846 -13.251 6.200 1.00 43.10 H new ATOM 0 HD12 LEU A 25 0.831 -14.950 6.730 1.00 43.10 H new ATOM 0 HD13 LEU A 25 -0.557 -14.284 5.838 1.00 43.10 H new ATOM 0 HD21 LEU A 25 -0.579 -11.587 7.295 1.00 55.11 H new ATOM 0 HD22 LEU A 25 -2.044 -12.552 6.994 1.00 55.11 H new ATOM 0 HD23 LEU A 25 -1.634 -12.050 8.652 1.00 55.11 H new ATOM 418 N GLU A 26 -0.926 -17.507 7.346 1.00 13.45 N ATOM 419 CA GLU A 26 -0.555 -18.435 6.294 1.00 74.33 C ATOM 420 C GLU A 26 -0.318 -17.699 4.980 1.00 63.45 C ATOM 421 O GLU A 26 -0.680 -16.531 4.833 1.00 5.35 O ATOM 422 CB GLU A 26 -1.665 -19.459 6.106 1.00 23.24 C ATOM 423 CG GLU A 26 -3.008 -18.833 5.770 1.00 11.13 C ATOM 424 CD GLU A 26 -4.051 -19.852 5.379 1.00 21.15 C ATOM 425 OE1 GLU A 26 -4.552 -20.577 6.261 1.00 22.10 O ATOM 426 OE2 GLU A 26 -4.396 -19.917 4.180 1.00 34.44 O ATOM 0 H GLU A 26 -1.932 -17.371 7.443 1.00 13.45 H new ATOM 0 HA GLU A 26 0.369 -18.935 6.584 1.00 74.33 H new ATOM 0 HB2 GLU A 26 -1.383 -20.148 5.310 1.00 23.24 H new ATOM 0 HB3 GLU A 26 -1.764 -20.049 7.017 1.00 23.24 H new ATOM 0 HG2 GLU A 26 -3.365 -18.268 6.631 1.00 11.13 H new ATOM 0 HG3 GLU A 26 -2.878 -18.123 4.954 1.00 11.13 H new ATOM 433 N ILE A 27 0.253 -18.405 4.016 1.00 42.13 N ATOM 434 CA ILE A 27 0.533 -17.829 2.709 1.00 64.05 C ATOM 435 C ILE A 27 -0.770 -17.508 1.976 1.00 4.14 C ATOM 436 O ILE A 27 -0.833 -16.569 1.189 1.00 1.21 O ATOM 437 CB ILE A 27 1.401 -18.781 1.852 1.00 72.05 C ATOM 438 CG1 ILE A 27 2.750 -19.029 2.537 1.00 34.13 C ATOM 439 CG2 ILE A 27 1.614 -18.223 0.447 1.00 35.14 C ATOM 440 CD1 ILE A 27 3.563 -17.769 2.753 1.00 73.02 C ATOM 0 H ILE A 27 0.532 -19.381 4.115 1.00 42.13 H new ATOM 0 HA ILE A 27 1.090 -16.905 2.865 1.00 64.05 H new ATOM 0 HB ILE A 27 0.871 -19.729 1.759 1.00 72.05 H new ATOM 0 HG12 ILE A 27 2.576 -19.508 3.500 1.00 34.13 H new ATOM 0 HG13 ILE A 27 3.331 -19.727 1.934 1.00 34.13 H new ATOM 0 HG21 ILE A 27 2.228 -18.915 -0.130 1.00 35.14 H new ATOM 0 HG22 ILE A 27 0.649 -18.097 -0.044 1.00 35.14 H new ATOM 0 HG23 ILE A 27 2.117 -17.258 0.511 1.00 35.14 H new ATOM 0 HD11 ILE A 27 4.504 -18.022 3.242 1.00 73.02 H new ATOM 0 HD12 ILE A 27 3.769 -17.299 1.791 1.00 73.02 H new ATOM 0 HD13 ILE A 27 3.002 -17.077 3.382 1.00 73.02 H new ATOM 452 N GLY A 28 -1.812 -18.279 2.273 1.00 0.00 N ATOM 453 CA GLY A 28 -3.102 -18.092 1.624 1.00 2.13 C ATOM 454 C GLY A 28 -3.635 -16.671 1.732 1.00 42.34 C ATOM 455 O GLY A 28 -4.002 -16.062 0.724 1.00 34.00 O ATOM 0 H GLY A 28 -1.787 -19.036 2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.012 -18.359 0.571 1.00 2.13 H new ATOM 0 HA3 GLY A 28 -3.825 -18.777 2.066 1.00 2.13 H new ATOM 459 N THR A 29 -3.679 -16.140 2.945 1.00 33.13 N ATOM 460 CA THR A 29 -4.174 -14.787 3.160 1.00 53.13 C ATOM 461 C THR A 29 -3.099 -13.756 2.803 1.00 25.53 C ATOM 462 O THR A 29 -3.401 -12.692 2.256 1.00 44.40 O ATOM 463 CB THR A 29 -4.662 -14.586 4.618 1.00 4.02 C ATOM 464 OG1 THR A 29 -5.164 -13.258 4.803 1.00 51.13 O ATOM 465 CG2 THR A 29 -3.549 -14.855 5.620 1.00 3.41 C ATOM 0 H THR A 29 -3.380 -16.622 3.792 1.00 33.13 H new ATOM 0 HA THR A 29 -5.030 -14.639 2.501 1.00 53.13 H new ATOM 0 HB THR A 29 -5.464 -15.302 4.794 1.00 4.02 H new ATOM 0 HG1 THR A 29 -5.469 -13.149 5.728 1.00 51.13 H new ATOM 0 HG21 THR A 29 -3.926 -14.705 6.632 1.00 3.41 H new ATOM 0 HG22 THR A 29 -3.202 -15.882 5.511 1.00 3.41 H new ATOM 0 HG23 THR A 29 -2.721 -14.171 5.436 1.00 3.41 H new ATOM 473 N PHE A 30 -1.842 -14.087 3.099 1.00 73.11 N ATOM 474 CA PHE A 30 -0.708 -13.245 2.732 1.00 33.41 C ATOM 475 C PHE A 30 -0.702 -12.937 1.234 1.00 63.13 C ATOM 476 O PHE A 30 -0.671 -11.772 0.833 1.00 1.12 O ATOM 477 CB PHE A 30 0.597 -13.941 3.135 1.00 51.22 C ATOM 478 CG PHE A 30 1.844 -13.179 2.784 1.00 4.32 C ATOM 479 CD1 PHE A 30 2.034 -11.880 3.229 1.00 54.31 C ATOM 480 CD2 PHE A 30 2.834 -13.772 2.021 1.00 54.31 C ATOM 481 CE1 PHE A 30 3.188 -11.189 2.917 1.00 51.00 C ATOM 482 CE2 PHE A 30 3.989 -13.085 1.705 1.00 64.43 C ATOM 483 CZ PHE A 30 4.166 -11.792 2.153 1.00 71.13 C ATOM 0 H PHE A 30 -1.584 -14.940 3.596 1.00 73.11 H new ATOM 0 HA PHE A 30 -0.797 -12.297 3.263 1.00 33.41 H new ATOM 0 HB2 PHE A 30 0.584 -14.115 4.211 1.00 51.22 H new ATOM 0 HB3 PHE A 30 0.636 -14.918 2.654 1.00 51.22 H new ATOM 0 HD1 PHE A 30 1.271 -11.403 3.826 1.00 54.31 H new ATOM 0 HD2 PHE A 30 2.702 -14.784 1.668 1.00 54.31 H new ATOM 0 HE1 PHE A 30 3.325 -10.178 3.271 1.00 51.00 H new ATOM 0 HE2 PHE A 30 4.754 -13.559 1.108 1.00 64.43 H new ATOM 0 HZ PHE A 30 5.069 -11.253 1.906 1.00 71.13 H new ATOM 493 N ARG A 31 -0.765 -13.983 0.416 1.00 63.34 N ATOM 494 CA ARG A 31 -0.683 -13.837 -1.035 1.00 63.42 C ATOM 495 C ARG A 31 -1.900 -13.098 -1.583 1.00 73.05 C ATOM 496 O ARG A 31 -1.824 -12.459 -2.632 1.00 50.44 O ATOM 497 CB ARG A 31 -0.572 -15.207 -1.716 1.00 31.22 C ATOM 498 CG ARG A 31 -1.870 -16.003 -1.692 1.00 71.32 C ATOM 499 CD ARG A 31 -1.740 -17.336 -2.405 1.00 41.10 C ATOM 500 NE ARG A 31 -3.039 -17.991 -2.552 1.00 3.32 N ATOM 501 CZ ARG A 31 -3.223 -19.153 -3.174 1.00 22.33 C ATOM 502 NH1 ARG A 31 -2.193 -19.805 -3.701 1.00 41.02 N ATOM 503 NH2 ARG A 31 -4.443 -19.664 -3.259 1.00 44.03 N ATOM 0 H ARG A 31 -0.873 -14.946 0.734 1.00 63.34 H new ATOM 0 HA ARG A 31 0.212 -13.254 -1.253 1.00 63.42 H new ATOM 0 HB2 ARG A 31 -0.261 -15.066 -2.751 1.00 31.22 H new ATOM 0 HB3 ARG A 31 0.210 -15.786 -1.224 1.00 31.22 H new ATOM 0 HG2 ARG A 31 -2.170 -16.174 -0.658 1.00 71.32 H new ATOM 0 HG3 ARG A 31 -2.661 -15.418 -2.161 1.00 71.32 H new ATOM 0 HD2 ARG A 31 -1.295 -17.183 -3.388 1.00 41.10 H new ATOM 0 HD3 ARG A 31 -1.065 -17.985 -1.847 1.00 41.10 H new ATOM 0 HE ARG A 31 -3.856 -17.528 -2.153 1.00 3.32 H new ATOM 0 HH11 ARG A 31 -1.253 -19.416 -3.631 1.00 41.02 H new ATOM 0 HH12 ARG A 31 -2.342 -20.695 -4.176 1.00 41.02 H new ATOM 0 HH21 ARG A 31 -5.234 -19.167 -2.849 1.00 44.03 H new ATOM 0 HH22 ARG A 31 -4.591 -20.554 -3.734 1.00 44.03 H new ATOM 517 N HIS A 32 -3.013 -13.174 -0.857 1.00 1.33 N ATOM 518 CA HIS A 32 -4.268 -12.583 -1.310 1.00 71.53 C ATOM 519 C HIS A 32 -4.125 -11.073 -1.505 1.00 73.22 C ATOM 520 O HIS A 32 -4.720 -10.500 -2.413 1.00 75.35 O ATOM 521 CB HIS A 32 -5.392 -12.896 -0.316 1.00 10.41 C ATOM 522 CG HIS A 32 -6.739 -12.381 -0.735 1.00 31.23 C ATOM 523 ND1 HIS A 32 -7.627 -11.797 0.142 1.00 44.42 N ATOM 524 CD2 HIS A 32 -7.346 -12.369 -1.945 1.00 65.12 C ATOM 525 CE1 HIS A 32 -8.720 -11.447 -0.512 1.00 44.11 C ATOM 526 NE2 HIS A 32 -8.573 -11.782 -1.779 1.00 43.41 N ATOM 0 H HIS A 32 -3.070 -13.640 0.049 1.00 1.33 H new ATOM 0 HA HIS A 32 -4.523 -13.022 -2.275 1.00 71.53 H new ATOM 0 HB2 HIS A 32 -5.453 -13.976 -0.181 1.00 10.41 H new ATOM 0 HB3 HIS A 32 -5.136 -12.468 0.653 1.00 10.41 H new ATOM 0 HD2 HIS A 32 -6.939 -12.751 -2.869 1.00 65.12 H new ATOM 0 HE1 HIS A 32 -9.587 -10.968 -0.082 1.00 44.11 H new ATOM 0 HE2 HIS A 32 -9.261 -11.629 -2.516 1.00 43.41 H new ATOM 535 N HIS A 33 -3.321 -10.435 -0.665 1.00 60.14 N ATOM 536 CA HIS A 33 -3.081 -9.002 -0.796 1.00 71.23 C ATOM 537 C HIS A 33 -1.646 -8.734 -1.241 1.00 10.12 C ATOM 538 O HIS A 33 -1.207 -7.589 -1.304 1.00 35.00 O ATOM 539 CB HIS A 33 -3.402 -8.263 0.516 1.00 40.12 C ATOM 540 CG HIS A 33 -2.709 -8.802 1.736 1.00 61.31 C ATOM 541 ND1 HIS A 33 -3.375 -9.461 2.745 1.00 70.11 N ATOM 542 CD2 HIS A 33 -1.410 -8.754 2.120 1.00 75.33 C ATOM 543 CE1 HIS A 33 -2.520 -9.793 3.693 1.00 13.11 C ATOM 544 NE2 HIS A 33 -1.317 -9.375 3.343 1.00 41.23 N ATOM 0 H HIS A 33 -2.827 -10.881 0.108 1.00 60.14 H new ATOM 0 HA HIS A 33 -3.751 -8.616 -1.564 1.00 71.23 H new ATOM 0 HB2 HIS A 33 -3.134 -7.213 0.399 1.00 40.12 H new ATOM 0 HB3 HIS A 33 -4.479 -8.300 0.682 1.00 40.12 H new ATOM 0 HD2 HIS A 33 -0.596 -8.309 1.566 1.00 75.33 H new ATOM 0 HE1 HIS A 33 -2.763 -10.319 4.604 1.00 13.11 H new ATOM 0 HE2 HIS A 33 -0.463 -9.493 3.888 1.00 41.23 H new ATOM 553 N LYS A 34 -0.921 -9.806 -1.543 1.00 11.45 N ATOM 554 CA LYS A 34 0.460 -9.705 -2.003 1.00 2.51 C ATOM 555 C LYS A 34 0.542 -9.750 -3.525 1.00 3.31 C ATOM 556 O LYS A 34 1.268 -8.973 -4.144 1.00 13.01 O ATOM 557 CB LYS A 34 1.292 -10.852 -1.425 1.00 74.11 C ATOM 558 CG LYS A 34 2.709 -10.916 -1.971 1.00 24.23 C ATOM 559 CD LYS A 34 3.400 -12.207 -1.573 1.00 53.22 C ATOM 560 CE LYS A 34 4.752 -12.338 -2.251 1.00 72.11 C ATOM 561 NZ LYS A 34 5.427 -13.617 -1.913 1.00 42.01 N ATOM 0 H LYS A 34 -1.270 -10.762 -1.477 1.00 11.45 H new ATOM 0 HA LYS A 34 0.854 -8.749 -1.659 1.00 2.51 H new ATOM 0 HB2 LYS A 34 1.334 -10.748 -0.341 1.00 74.11 H new ATOM 0 HB3 LYS A 34 0.788 -11.796 -1.635 1.00 74.11 H new ATOM 0 HG2 LYS A 34 2.685 -10.835 -3.058 1.00 24.23 H new ATOM 0 HG3 LYS A 34 3.282 -10.066 -1.600 1.00 24.23 H new ATOM 0 HD2 LYS A 34 3.529 -12.235 -0.491 1.00 53.22 H new ATOM 0 HD3 LYS A 34 2.772 -13.056 -1.841 1.00 53.22 H new ATOM 0 HE2 LYS A 34 4.623 -12.272 -3.331 1.00 72.11 H new ATOM 0 HE3 LYS A 34 5.388 -11.504 -1.954 1.00 72.11 H new ATOM 0 HZ1 LYS A 34 6.346 -13.663 -2.398 1.00 42.01 H new ATOM 0 HZ2 LYS A 34 5.575 -13.670 -0.885 1.00 42.01 H new ATOM 0 HZ3 LYS A 34 4.834 -14.414 -2.219 1.00 42.01 H new ATOM 575 N SER A 35 -0.238 -10.648 -4.112 1.00 20.32 N ATOM 576 CA SER A 35 -0.089 -11.010 -5.518 1.00 5.41 C ATOM 577 C SER A 35 -0.342 -9.825 -6.450 1.00 44.13 C ATOM 578 O SER A 35 0.233 -9.760 -7.536 1.00 75.34 O ATOM 579 CB SER A 35 -1.046 -12.157 -5.861 1.00 45.43 C ATOM 580 OG SER A 35 -0.757 -12.712 -7.134 1.00 14.21 O ATOM 0 H SER A 35 -0.988 -11.144 -3.631 1.00 20.32 H new ATOM 0 HA SER A 35 0.943 -11.328 -5.668 1.00 5.41 H new ATOM 0 HB2 SER A 35 -0.973 -12.933 -5.099 1.00 45.43 H new ATOM 0 HB3 SER A 35 -2.073 -11.792 -5.847 1.00 45.43 H new ATOM 0 HG SER A 35 -1.383 -13.442 -7.323 1.00 14.21 H new ATOM 586 N CYS A 36 -1.189 -8.896 -6.028 1.00 12.42 N ATOM 587 CA CYS A 36 -1.504 -7.725 -6.836 1.00 22.32 C ATOM 588 C CYS A 36 -0.249 -6.892 -7.100 1.00 33.14 C ATOM 589 O CYS A 36 0.186 -6.748 -8.246 1.00 31.33 O ATOM 590 CB CYS A 36 -2.566 -6.878 -6.132 1.00 31.42 C ATOM 591 SG CYS A 36 -4.055 -7.801 -5.681 1.00 3.44 S ATOM 0 H CYS A 36 -1.671 -8.930 -5.130 1.00 12.42 H new ATOM 0 HA CYS A 36 -1.895 -8.061 -7.796 1.00 22.32 H new ATOM 0 HB2 CYS A 36 -2.132 -6.444 -5.231 1.00 31.42 H new ATOM 0 HB3 CYS A 36 -2.846 -6.049 -6.782 1.00 31.42 H new ATOM 0 HG CYS A 36 -4.896 -7.006 -5.089 1.00 3.44 H new ATOM 597 N MET A 37 0.342 -6.379 -6.027 1.00 74.23 N ATOM 598 CA MET A 37 1.533 -5.540 -6.123 1.00 10.22 C ATOM 599 C MET A 37 2.742 -6.356 -6.581 1.00 43.33 C ATOM 600 O MET A 37 3.648 -5.831 -7.223 1.00 5.40 O ATOM 601 CB MET A 37 1.823 -4.887 -4.766 1.00 1.42 C ATOM 602 CG MET A 37 2.980 -3.900 -4.790 1.00 44.13 C ATOM 603 SD MET A 37 3.366 -3.238 -3.158 1.00 14.44 S ATOM 604 CE MET A 37 1.817 -2.444 -2.736 1.00 34.23 C ATOM 0 H MET A 37 0.013 -6.530 -5.073 1.00 74.23 H new ATOM 0 HA MET A 37 1.346 -4.763 -6.864 1.00 10.22 H new ATOM 0 HB2 MET A 37 0.926 -4.371 -4.423 1.00 1.42 H new ATOM 0 HB3 MET A 37 2.040 -5.668 -4.037 1.00 1.42 H new ATOM 0 HG2 MET A 37 3.864 -4.393 -5.196 1.00 44.13 H new ATOM 0 HG3 MET A 37 2.736 -3.078 -5.463 1.00 44.13 H new ATOM 0 HE1 MET A 37 1.982 -1.732 -1.927 1.00 34.23 H new ATOM 0 HE2 MET A 37 1.428 -1.919 -3.608 1.00 34.23 H new ATOM 0 HE3 MET A 37 1.098 -3.197 -2.415 1.00 34.23 H new ATOM 614 N ARG A 38 2.740 -7.643 -6.255 1.00 51.13 N ATOM 615 CA ARG A 38 3.857 -8.526 -6.584 1.00 52.12 C ATOM 616 C ARG A 38 4.001 -8.684 -8.094 1.00 41.40 C ATOM 617 O ARG A 38 5.110 -8.630 -8.631 1.00 70.22 O ATOM 618 CB ARG A 38 3.643 -9.899 -5.940 1.00 33.43 C ATOM 619 CG ARG A 38 4.930 -10.625 -5.574 1.00 63.43 C ATOM 620 CD ARG A 38 5.657 -11.175 -6.793 1.00 14.34 C ATOM 621 NE ARG A 38 6.991 -11.660 -6.448 1.00 71.31 N ATOM 622 CZ ARG A 38 7.605 -12.675 -7.050 1.00 15.45 C ATOM 623 NH1 ARG A 38 7.000 -13.341 -8.031 1.00 64.32 N ATOM 624 NH2 ARG A 38 8.830 -13.020 -6.665 1.00 63.23 N ATOM 0 H ARG A 38 1.975 -8.102 -5.761 1.00 51.13 H new ATOM 0 HA ARG A 38 4.772 -8.079 -6.195 1.00 52.12 H new ATOM 0 HB2 ARG A 38 3.040 -9.776 -5.040 1.00 33.43 H new ATOM 0 HB3 ARG A 38 3.069 -10.523 -6.625 1.00 33.43 H new ATOM 0 HG2 ARG A 38 5.590 -9.941 -5.040 1.00 63.43 H new ATOM 0 HG3 ARG A 38 4.700 -11.444 -4.892 1.00 63.43 H new ATOM 0 HD2 ARG A 38 5.075 -11.987 -7.229 1.00 14.34 H new ATOM 0 HD3 ARG A 38 5.737 -10.397 -7.552 1.00 14.34 H new ATOM 0 HE ARG A 38 7.487 -11.187 -5.692 1.00 71.31 H new ATOM 0 HH11 ARG A 38 6.060 -13.074 -8.325 1.00 64.32 H new ATOM 0 HH12 ARG A 38 7.476 -14.118 -8.489 1.00 64.32 H new ATOM 0 HH21 ARG A 38 9.292 -12.508 -5.913 1.00 63.23 H new ATOM 0 HH22 ARG A 38 9.308 -13.797 -7.121 1.00 63.23 H new ATOM 638 N LYS A 39 2.874 -8.880 -8.762 1.00 62.52 N ATOM 639 CA LYS A 39 2.842 -9.111 -10.189 1.00 52.40 C ATOM 640 C LYS A 39 3.485 -7.965 -10.967 1.00 13.11 C ATOM 641 O LYS A 39 4.539 -8.132 -11.581 1.00 32.11 O ATOM 642 CB LYS A 39 1.393 -9.288 -10.612 1.00 25.03 C ATOM 643 CG LYS A 39 1.196 -9.392 -12.102 1.00 42.11 C ATOM 644 CD LYS A 39 -0.274 -9.473 -12.436 1.00 24.20 C ATOM 645 CE LYS A 39 -0.908 -10.699 -11.810 1.00 0.23 C ATOM 646 NZ LYS A 39 -2.297 -10.915 -12.288 1.00 61.51 N ATOM 0 H LYS A 39 1.954 -8.882 -8.322 1.00 62.52 H new ATOM 0 HA LYS A 39 3.419 -10.008 -10.414 1.00 52.40 H new ATOM 0 HB2 LYS A 39 0.995 -10.186 -10.140 1.00 25.03 H new ATOM 0 HB3 LYS A 39 0.811 -8.446 -10.237 1.00 25.03 H new ATOM 0 HG2 LYS A 39 1.640 -8.527 -12.595 1.00 42.11 H new ATOM 0 HG3 LYS A 39 1.711 -10.274 -12.482 1.00 42.11 H new ATOM 0 HD2 LYS A 39 -0.781 -8.576 -12.081 1.00 24.20 H new ATOM 0 HD3 LYS A 39 -0.403 -9.505 -13.518 1.00 24.20 H new ATOM 0 HE2 LYS A 39 -0.305 -11.577 -12.042 1.00 0.23 H new ATOM 0 HE3 LYS A 39 -0.911 -10.591 -10.725 1.00 0.23 H new ATOM 0 HZ1 LYS A 39 -2.692 -11.763 -11.835 1.00 61.51 H new ATOM 0 HZ2 LYS A 39 -2.880 -10.089 -12.045 1.00 61.51 H new ATOM 0 HZ3 LYS A 39 -2.293 -11.044 -13.320 1.00 61.51 H new ATOM 660 N PHE A 40 2.845 -6.807 -10.928 1.00 75.24 N ATOM 661 CA PHE A 40 3.306 -5.651 -11.691 1.00 21.41 C ATOM 662 C PHE A 40 4.585 -5.065 -11.089 1.00 21.42 C ATOM 663 O PHE A 40 5.345 -4.385 -11.784 1.00 72.24 O ATOM 664 CB PHE A 40 2.206 -4.588 -11.741 1.00 64.14 C ATOM 665 CG PHE A 40 2.295 -3.675 -12.935 1.00 74.43 C ATOM 666 CD1 PHE A 40 3.101 -2.547 -12.913 1.00 2.03 C ATOM 667 CD2 PHE A 40 1.566 -3.948 -14.082 1.00 71.42 C ATOM 668 CE1 PHE A 40 3.180 -1.712 -14.011 1.00 44.22 C ATOM 669 CE2 PHE A 40 1.640 -3.115 -15.184 1.00 3.24 C ATOM 670 CZ PHE A 40 2.449 -1.996 -15.148 1.00 11.31 C ATOM 0 H PHE A 40 2.004 -6.640 -10.376 1.00 75.24 H new ATOM 0 HA PHE A 40 3.534 -5.979 -12.705 1.00 21.41 H new ATOM 0 HB2 PHE A 40 1.235 -5.084 -11.746 1.00 64.14 H new ATOM 0 HB3 PHE A 40 2.253 -3.988 -10.832 1.00 64.14 H new ATOM 0 HD1 PHE A 40 3.674 -2.318 -12.027 1.00 2.03 H new ATOM 0 HD2 PHE A 40 0.932 -4.822 -14.116 1.00 71.42 H new ATOM 0 HE1 PHE A 40 3.813 -0.838 -13.980 1.00 44.22 H new ATOM 0 HE2 PHE A 40 1.066 -3.339 -16.071 1.00 3.24 H new ATOM 0 HZ PHE A 40 2.510 -1.344 -16.007 1.00 11.31 H new ATOM 680 N LYS A 41 4.805 -5.351 -9.795 1.00 4.41 N ATOM 681 CA LYS A 41 5.971 -4.872 -9.029 1.00 20.30 C ATOM 682 C LYS A 41 6.218 -3.380 -9.249 1.00 2.21 C ATOM 683 O LYS A 41 7.357 -2.912 -9.231 1.00 1.12 O ATOM 684 CB LYS A 41 7.233 -5.699 -9.342 1.00 71.23 C ATOM 685 CG LYS A 41 7.804 -5.508 -10.742 1.00 24.40 C ATOM 686 CD LYS A 41 9.047 -6.350 -10.954 1.00 65.14 C ATOM 687 CE LYS A 41 9.644 -6.124 -12.333 1.00 4.44 C ATOM 688 NZ LYS A 41 10.808 -7.012 -12.578 1.00 22.42 N ATOM 0 H LYS A 41 4.171 -5.929 -9.243 1.00 4.41 H new ATOM 0 HA LYS A 41 5.739 -5.012 -7.973 1.00 20.30 H new ATOM 0 HB2 LYS A 41 8.004 -5.445 -8.615 1.00 71.23 H new ATOM 0 HB3 LYS A 41 7.000 -6.755 -9.203 1.00 71.23 H new ATOM 0 HG2 LYS A 41 7.051 -5.776 -11.483 1.00 24.40 H new ATOM 0 HG3 LYS A 41 8.045 -4.456 -10.898 1.00 24.40 H new ATOM 0 HD2 LYS A 41 9.787 -6.107 -10.192 1.00 65.14 H new ATOM 0 HD3 LYS A 41 8.799 -7.404 -10.832 1.00 65.14 H new ATOM 0 HE2 LYS A 41 8.883 -6.303 -13.093 1.00 4.44 H new ATOM 0 HE3 LYS A 41 9.953 -5.083 -12.430 1.00 4.44 H new ATOM 0 HZ1 LYS A 41 11.190 -6.830 -13.528 1.00 22.42 H new ATOM 0 HZ2 LYS A 41 11.544 -6.824 -11.868 1.00 22.42 H new ATOM 0 HZ3 LYS A 41 10.507 -8.005 -12.510 1.00 22.42 H new ATOM 702 N GLU A 42 5.128 -2.642 -9.396 1.00 43.03 N ATOM 703 CA GLU A 42 5.176 -1.221 -9.714 1.00 21.35 C ATOM 704 C GLU A 42 5.830 -0.400 -8.599 1.00 33.11 C ATOM 705 O GLU A 42 5.803 -0.774 -7.423 1.00 52.15 O ATOM 706 CB GLU A 42 3.760 -0.726 -10.006 1.00 23.50 C ATOM 707 CG GLU A 42 2.737 -1.175 -8.979 1.00 20.40 C ATOM 708 CD GLU A 42 1.319 -1.008 -9.479 1.00 34.54 C ATOM 709 OE1 GLU A 42 0.794 -1.957 -10.096 1.00 23.43 O ATOM 710 OE2 GLU A 42 0.737 0.072 -9.267 1.00 73.10 O ATOM 0 H GLU A 42 4.182 -3.012 -9.298 1.00 43.03 H new ATOM 0 HA GLU A 42 5.799 -1.086 -10.598 1.00 21.35 H new ATOM 0 HB2 GLU A 42 3.766 0.363 -10.049 1.00 23.50 H new ATOM 0 HB3 GLU A 42 3.455 -1.082 -10.990 1.00 23.50 H new ATOM 0 HG2 GLU A 42 2.912 -2.221 -8.727 1.00 20.40 H new ATOM 0 HG3 GLU A 42 2.868 -0.600 -8.062 1.00 20.40 H new ATOM 717 N TYR A 43 6.429 0.718 -8.987 1.00 42.53 N ATOM 718 CA TYR A 43 7.152 1.578 -8.063 1.00 63.13 C ATOM 719 C TYR A 43 7.202 3.009 -8.584 1.00 33.53 C ATOM 720 O TYR A 43 7.386 3.241 -9.779 1.00 12.54 O ATOM 721 CB TYR A 43 8.579 1.050 -7.841 1.00 33.31 C ATOM 722 CG TYR A 43 9.330 0.733 -9.119 1.00 41.24 C ATOM 723 CD1 TYR A 43 10.076 1.704 -9.774 1.00 5.22 C ATOM 724 CD2 TYR A 43 9.282 -0.539 -9.675 1.00 4.22 C ATOM 725 CE1 TYR A 43 10.752 1.415 -10.943 1.00 43.23 C ATOM 726 CE2 TYR A 43 9.951 -0.836 -10.842 1.00 2.14 C ATOM 727 CZ TYR A 43 10.683 0.140 -11.473 1.00 4.21 C ATOM 728 OH TYR A 43 11.339 -0.159 -12.646 1.00 63.03 O ATOM 0 H TYR A 43 6.427 1.053 -9.950 1.00 42.53 H new ATOM 0 HA TYR A 43 6.622 1.573 -7.111 1.00 63.13 H new ATOM 0 HB2 TYR A 43 9.144 1.790 -7.275 1.00 33.31 H new ATOM 0 HB3 TYR A 43 8.530 0.150 -7.229 1.00 33.31 H new ATOM 0 HD1 TYR A 43 10.128 2.701 -9.363 1.00 5.22 H new ATOM 0 HD2 TYR A 43 8.709 -1.311 -9.183 1.00 4.22 H new ATOM 0 HE1 TYR A 43 11.331 2.180 -11.440 1.00 43.23 H new ATOM 0 HE2 TYR A 43 9.900 -1.831 -11.259 1.00 2.14 H new ATOM 0 HH TYR A 43 11.186 -1.099 -12.876 1.00 63.03 H new ATOM 738 N CYS A 44 7.022 3.967 -7.690 1.00 71.34 N ATOM 739 CA CYS A 44 7.158 5.370 -8.043 1.00 3.53 C ATOM 740 C CYS A 44 8.543 5.855 -7.633 1.00 2.04 C ATOM 741 O CYS A 44 8.675 6.750 -6.801 1.00 13.45 O ATOM 742 CB CYS A 44 6.066 6.210 -7.364 1.00 53.11 C ATOM 743 SG CYS A 44 6.102 7.968 -7.798 1.00 21.54 S ATOM 0 H CYS A 44 6.781 3.798 -6.713 1.00 71.34 H new ATOM 0 HA CYS A 44 7.040 5.483 -9.121 1.00 3.53 H new ATOM 0 HB2 CYS A 44 5.091 5.802 -7.631 1.00 53.11 H new ATOM 0 HB3 CYS A 44 6.168 6.112 -6.283 1.00 53.11 H new ATOM 0 HG CYS A 44 7.249 8.476 -7.457 1.00 21.54 H new ATOM 749 N GLU A 45 9.569 5.225 -8.219 1.00 14.44 N ATOM 750 CA GLU A 45 10.975 5.499 -7.895 1.00 3.13 C ATOM 751 C GLU A 45 11.317 5.024 -6.486 1.00 70.23 C ATOM 752 O GLU A 45 12.040 4.044 -6.310 1.00 13.12 O ATOM 753 CB GLU A 45 11.306 6.986 -8.041 1.00 44.25 C ATOM 754 CG GLU A 45 11.090 7.525 -9.441 1.00 23.01 C ATOM 755 CD GLU A 45 11.658 8.916 -9.609 1.00 1.13 C ATOM 756 OE1 GLU A 45 12.862 9.032 -9.927 1.00 71.01 O ATOM 757 OE2 GLU A 45 10.910 9.897 -9.425 1.00 65.55 O ATOM 0 H GLU A 45 9.447 4.508 -8.934 1.00 14.44 H new ATOM 0 HA GLU A 45 11.582 4.942 -8.609 1.00 3.13 H new ATOM 0 HB2 GLU A 45 10.692 7.556 -7.343 1.00 44.25 H new ATOM 0 HB3 GLU A 45 12.346 7.147 -7.756 1.00 44.25 H new ATOM 0 HG2 GLU A 45 11.556 6.854 -10.163 1.00 23.01 H new ATOM 0 HG3 GLU A 45 10.023 7.541 -9.662 1.00 23.01 H new ATOM 764 N GLY A 46 10.786 5.712 -5.491 1.00 24.11 N ATOM 765 CA GLY A 46 10.999 5.331 -4.117 1.00 42.14 C ATOM 766 C GLY A 46 9.738 5.502 -3.307 1.00 1.45 C ATOM 767 O GLY A 46 8.674 5.017 -3.709 1.00 3.11 O ATOM 0 H GLY A 46 10.203 6.540 -5.616 1.00 24.11 H new ATOM 0 HA2 GLY A 46 11.327 4.293 -4.071 1.00 42.14 H new ATOM 0 HA3 GLY A 46 11.797 5.937 -3.687 1.00 42.14 H new ATOM 771 N LEU A 47 9.858 6.168 -2.166 1.00 34.44 N ATOM 772 CA LEU A 47 8.698 6.575 -1.387 1.00 4.25 C ATOM 773 C LEU A 47 9.111 7.394 -0.181 1.00 72.42 C ATOM 774 O LEU A 47 9.718 6.891 0.765 1.00 41.34 O ATOM 775 CB LEU A 47 7.852 5.383 -0.933 1.00 10.33 C ATOM 776 CG LEU A 47 6.438 5.740 -0.450 1.00 14.41 C ATOM 777 CD1 LEU A 47 6.439 6.234 0.991 1.00 23.41 C ATOM 778 CD2 LEU A 47 5.806 6.776 -1.369 1.00 14.34 C ATOM 0 H LEU A 47 10.753 6.439 -1.758 1.00 34.44 H new ATOM 0 HA LEU A 47 8.085 7.189 -2.047 1.00 4.25 H new ATOM 0 HB2 LEU A 47 7.770 4.678 -1.760 1.00 10.33 H new ATOM 0 HB3 LEU A 47 8.377 4.870 -0.127 1.00 10.33 H new ATOM 0 HG LEU A 47 5.841 4.829 -0.483 1.00 14.41 H new ATOM 0 HD11 LEU A 47 5.420 6.476 1.293 1.00 23.41 H new ATOM 0 HD12 LEU A 47 6.836 5.455 1.642 1.00 23.41 H new ATOM 0 HD13 LEU A 47 7.062 7.125 1.070 1.00 23.41 H new ATOM 0 HD21 LEU A 47 4.805 7.017 -1.012 1.00 14.34 H new ATOM 0 HD22 LEU A 47 6.417 7.679 -1.374 1.00 14.34 H new ATOM 0 HD23 LEU A 47 5.743 6.375 -2.381 1.00 14.34 H new ATOM 790 N GLN A 48 8.744 8.651 -0.230 1.00 74.01 N ATOM 791 CA GLN A 48 8.967 9.582 0.857 1.00 20.42 C ATOM 792 C GLN A 48 7.635 10.227 1.206 1.00 15.00 C ATOM 793 O GLN A 48 6.620 9.907 0.589 1.00 40.15 O ATOM 794 CB GLN A 48 9.978 10.668 0.479 1.00 24.31 C ATOM 795 CG GLN A 48 11.437 10.342 0.789 1.00 41.54 C ATOM 796 CD GLN A 48 12.073 9.370 -0.187 1.00 34.52 C ATOM 797 OE1 GLN A 48 12.610 9.774 -1.216 1.00 23.34 O ATOM 798 NE2 GLN A 48 12.045 8.090 0.137 1.00 62.00 N ATOM 0 H GLN A 48 8.275 9.065 -1.036 1.00 74.01 H new ATOM 0 HA GLN A 48 9.377 9.038 1.708 1.00 20.42 H new ATOM 0 HB2 GLN A 48 9.887 10.869 -0.588 1.00 24.31 H new ATOM 0 HB3 GLN A 48 9.710 11.587 1.000 1.00 24.31 H new ATOM 0 HG2 GLN A 48 12.013 11.268 0.791 1.00 41.54 H new ATOM 0 HG3 GLN A 48 11.500 9.925 1.794 1.00 41.54 H new ATOM 0 HE21 GLN A 48 11.590 7.792 1.000 1.00 62.00 H new ATOM 0 HE22 GLN A 48 12.479 7.399 -0.476 1.00 62.00 H new ATOM 807 N PHE A 49 7.633 11.154 2.153 1.00 33.13 N ATOM 808 CA PHE A 49 6.386 11.792 2.565 1.00 72.33 C ATOM 809 C PHE A 49 5.813 12.633 1.430 1.00 20.04 C ATOM 810 O PHE A 49 4.601 12.718 1.252 1.00 33.44 O ATOM 811 CB PHE A 49 6.576 12.645 3.829 1.00 43.44 C ATOM 812 CG PHE A 49 7.335 13.934 3.638 1.00 52.43 C ATOM 813 CD1 PHE A 49 8.716 13.965 3.724 1.00 63.10 C ATOM 814 CD2 PHE A 49 6.658 15.119 3.385 1.00 2.01 C ATOM 815 CE1 PHE A 49 9.407 15.151 3.560 1.00 51.13 C ATOM 816 CE2 PHE A 49 7.343 16.307 3.223 1.00 2.04 C ATOM 817 CZ PHE A 49 8.720 16.322 3.308 1.00 13.43 C ATOM 0 H PHE A 49 8.465 11.479 2.645 1.00 33.13 H new ATOM 0 HA PHE A 49 5.676 11.001 2.806 1.00 72.33 H new ATOM 0 HB2 PHE A 49 5.593 12.880 4.238 1.00 43.44 H new ATOM 0 HB3 PHE A 49 7.097 12.045 4.575 1.00 43.44 H new ATOM 0 HD1 PHE A 49 9.260 13.053 3.921 1.00 63.10 H new ATOM 0 HD2 PHE A 49 5.580 15.112 3.314 1.00 2.01 H new ATOM 0 HE1 PHE A 49 10.485 15.162 3.629 1.00 51.13 H new ATOM 0 HE2 PHE A 49 6.802 17.222 3.030 1.00 2.04 H new ATOM 0 HZ PHE A 49 9.260 17.248 3.178 1.00 13.43 H new ATOM 827 N HIS A 50 6.700 13.235 0.649 1.00 55.23 N ATOM 828 CA HIS A 50 6.288 14.074 -0.478 1.00 3.32 C ATOM 829 C HIS A 50 5.760 13.229 -1.643 1.00 44.51 C ATOM 830 O HIS A 50 5.234 13.761 -2.615 1.00 2.43 O ATOM 831 CB HIS A 50 7.449 14.971 -0.949 1.00 2.34 C ATOM 832 CG HIS A 50 8.455 14.291 -1.838 1.00 11.14 C ATOM 833 ND1 HIS A 50 9.306 13.265 -1.602 1.00 12.42 N flip ATOM 834 CD2 HIS A 50 8.679 14.676 -3.139 1.00 53.14 C flip ATOM 835 CE1 HIS A 50 10.019 13.054 -2.754 1.00 74.04 C flip ATOM 836 NE2 HIS A 50 9.623 13.918 -3.667 1.00 23.31 N flip ATOM 0 H HIS A 50 7.710 13.161 0.772 1.00 55.23 H new ATOM 0 HA HIS A 50 5.476 14.712 -0.130 1.00 3.32 H new ATOM 0 HB2 HIS A 50 7.035 15.827 -1.482 1.00 2.34 H new ATOM 0 HB3 HIS A 50 7.966 15.361 -0.072 1.00 2.34 H new ATOM 0 HD2 HIS A 50 8.163 15.475 -3.650 1.00 53.14 H new ATOM 0 HE1 HIS A 50 10.782 12.302 -2.891 1.00 74.04 H new ATOM 0 HE2 HIS A 50 9.984 13.989 -4.618 1.00 23.31 H new ATOM 845 N GLU A 51 5.904 11.912 -1.538 1.00 10.10 N ATOM 846 CA GLU A 51 5.468 11.007 -2.598 1.00 3.11 C ATOM 847 C GLU A 51 4.254 10.197 -2.160 1.00 12.53 C ATOM 848 O GLU A 51 3.797 9.308 -2.873 1.00 23.21 O ATOM 849 CB GLU A 51 6.617 10.083 -3.003 1.00 4.23 C ATOM 850 CG GLU A 51 7.715 10.802 -3.770 1.00 54.44 C ATOM 851 CD GLU A 51 9.003 10.011 -3.860 1.00 15.31 C ATOM 852 OE1 GLU A 51 9.817 10.103 -2.916 1.00 51.42 O ATOM 853 OE2 GLU A 51 9.218 9.322 -4.879 1.00 64.40 O ATOM 0 H GLU A 51 6.319 11.447 -0.731 1.00 10.10 H new ATOM 0 HA GLU A 51 5.175 11.603 -3.462 1.00 3.11 H new ATOM 0 HB2 GLU A 51 7.044 9.629 -2.108 1.00 4.23 H new ATOM 0 HB3 GLU A 51 6.225 9.272 -3.616 1.00 4.23 H new ATOM 0 HG2 GLU A 51 7.361 11.021 -4.777 1.00 54.44 H new ATOM 0 HG3 GLU A 51 7.918 11.759 -3.288 1.00 54.44 H new ATOM 860 N LEU A 52 3.726 10.520 -0.987 1.00 13.23 N ATOM 861 CA LEU A 52 2.541 9.852 -0.476 1.00 62.11 C ATOM 862 C LEU A 52 1.515 10.904 -0.066 1.00 61.34 C ATOM 863 O LEU A 52 1.484 11.347 1.083 1.00 74.41 O ATOM 864 CB LEU A 52 2.906 8.951 0.714 1.00 14.14 C ATOM 865 CG LEU A 52 2.066 7.674 0.873 1.00 32.54 C ATOM 866 CD1 LEU A 52 0.597 7.999 1.099 1.00 35.30 C ATOM 867 CD2 LEU A 52 2.233 6.772 -0.343 1.00 14.12 C ATOM 0 H LEU A 52 4.102 11.242 -0.372 1.00 13.23 H new ATOM 0 HA LEU A 52 2.113 9.219 -1.254 1.00 62.11 H new ATOM 0 HB2 LEU A 52 3.953 8.664 0.619 1.00 14.14 H new ATOM 0 HB3 LEU A 52 2.817 9.537 1.629 1.00 14.14 H new ATOM 0 HG LEU A 52 2.428 7.145 1.754 1.00 32.54 H new ATOM 0 HD11 LEU A 52 0.032 7.073 1.207 1.00 35.30 H new ATOM 0 HD12 LEU A 52 0.492 8.596 2.005 1.00 35.30 H new ATOM 0 HD13 LEU A 52 0.213 8.561 0.247 1.00 35.30 H new ATOM 0 HD21 LEU A 52 1.631 5.872 -0.214 1.00 14.12 H new ATOM 0 HD22 LEU A 52 1.905 7.302 -1.237 1.00 14.12 H new ATOM 0 HD23 LEU A 52 3.282 6.495 -0.449 1.00 14.12 H new ATOM 879 N THR A 53 0.700 11.326 -1.021 1.00 1.13 N ATOM 880 CA THR A 53 -0.250 12.405 -0.796 1.00 12.11 C ATOM 881 C THR A 53 -1.637 12.032 -1.304 1.00 74.41 C ATOM 882 O THR A 53 -1.839 10.936 -1.830 1.00 43.01 O ATOM 883 CB THR A 53 0.209 13.684 -1.520 1.00 4.15 C ATOM 884 OG1 THR A 53 0.454 13.389 -2.904 1.00 0.25 O ATOM 885 CG2 THR A 53 1.470 14.251 -0.886 1.00 20.32 C ATOM 0 H THR A 53 0.678 10.936 -1.963 1.00 1.13 H new ATOM 0 HA THR A 53 -0.295 12.580 0.279 1.00 12.11 H new ATOM 0 HB THR A 53 -0.581 14.431 -1.434 1.00 4.15 H new ATOM 0 HG1 THR A 53 0.745 14.203 -3.366 1.00 0.25 H new ATOM 0 HG21 THR A 53 1.771 15.154 -1.418 1.00 20.32 H new ATOM 0 HG22 THR A 53 1.275 14.494 0.159 1.00 20.32 H new ATOM 0 HG23 THR A 53 2.270 13.513 -0.944 1.00 20.32 H new ATOM 893 N GLU A 54 -2.588 12.949 -1.141 1.00 33.43 N ATOM 894 CA GLU A 54 -3.914 12.796 -1.721 1.00 12.34 C ATOM 895 C GLU A 54 -3.799 12.641 -3.228 1.00 53.52 C ATOM 896 O GLU A 54 -4.405 11.750 -3.818 1.00 73.42 O ATOM 897 CB GLU A 54 -4.788 14.011 -1.359 1.00 62.30 C ATOM 898 CG GLU A 54 -6.091 14.133 -2.148 1.00 51.53 C ATOM 899 CD GLU A 54 -5.916 14.840 -3.482 1.00 53.32 C ATOM 900 OE1 GLU A 54 -5.039 15.727 -3.581 1.00 22.44 O ATOM 901 OE2 GLU A 54 -6.649 14.519 -4.436 1.00 44.21 O ATOM 0 H GLU A 54 -2.461 13.809 -0.608 1.00 33.43 H new ATOM 0 HA GLU A 54 -4.387 11.901 -1.316 1.00 12.34 H new ATOM 0 HB2 GLU A 54 -5.028 13.962 -0.297 1.00 62.30 H new ATOM 0 HB3 GLU A 54 -4.203 14.918 -1.512 1.00 62.30 H new ATOM 0 HG2 GLU A 54 -6.498 13.137 -2.322 1.00 51.53 H new ATOM 0 HG3 GLU A 54 -6.822 14.676 -1.549 1.00 51.53 H new ATOM 908 N ASP A 55 -2.987 13.498 -3.834 1.00 24.51 N ATOM 909 CA ASP A 55 -2.803 13.497 -5.277 1.00 22.12 C ATOM 910 C ASP A 55 -2.239 12.162 -5.746 1.00 54.33 C ATOM 911 O ASP A 55 -2.606 11.660 -6.808 1.00 14.12 O ATOM 912 CB ASP A 55 -1.875 14.639 -5.685 1.00 23.02 C ATOM 913 CG ASP A 55 -1.758 14.786 -7.185 1.00 43.01 C ATOM 914 OD1 ASP A 55 -2.643 15.427 -7.791 1.00 1.42 O ATOM 915 OD2 ASP A 55 -0.770 14.286 -7.761 1.00 22.04 O ATOM 0 H ASP A 55 -2.442 14.207 -3.343 1.00 24.51 H new ATOM 0 HA ASP A 55 -3.773 13.643 -5.752 1.00 22.12 H new ATOM 0 HB2 ASP A 55 -2.245 15.572 -5.260 1.00 23.02 H new ATOM 0 HB3 ASP A 55 -0.885 14.466 -5.262 1.00 23.02 H new ATOM 920 N PHE A 56 -1.360 11.582 -4.936 1.00 22.51 N ATOM 921 CA PHE A 56 -0.801 10.269 -5.233 1.00 14.23 C ATOM 922 C PHE A 56 -1.903 9.213 -5.242 1.00 33.23 C ATOM 923 O PHE A 56 -2.040 8.460 -6.200 1.00 33.44 O ATOM 924 CB PHE A 56 0.275 9.901 -4.206 1.00 12.21 C ATOM 925 CG PHE A 56 0.924 8.566 -4.454 1.00 0.41 C ATOM 926 CD1 PHE A 56 1.912 8.430 -5.416 1.00 34.54 C ATOM 927 CD2 PHE A 56 0.546 7.449 -3.725 1.00 61.25 C ATOM 928 CE1 PHE A 56 2.511 7.206 -5.646 1.00 2.45 C ATOM 929 CE2 PHE A 56 1.142 6.222 -3.950 1.00 32.35 C ATOM 930 CZ PHE A 56 2.126 6.100 -4.911 1.00 25.22 C ATOM 0 H PHE A 56 -1.020 12.000 -4.070 1.00 22.51 H new ATOM 0 HA PHE A 56 -0.342 10.305 -6.221 1.00 14.23 H new ATOM 0 HB2 PHE A 56 1.044 10.674 -4.207 1.00 12.21 H new ATOM 0 HB3 PHE A 56 -0.172 9.898 -3.212 1.00 12.21 H new ATOM 0 HD1 PHE A 56 2.217 9.291 -5.993 1.00 34.54 H new ATOM 0 HD2 PHE A 56 -0.223 7.538 -2.972 1.00 61.25 H new ATOM 0 HE1 PHE A 56 3.279 7.113 -6.399 1.00 2.45 H new ATOM 0 HE2 PHE A 56 0.838 5.360 -3.375 1.00 32.35 H new ATOM 0 HZ PHE A 56 2.594 5.143 -5.088 1.00 25.22 H new ATOM 940 N LEU A 57 -2.697 9.181 -4.174 1.00 61.11 N ATOM 941 CA LEU A 57 -3.807 8.241 -4.062 1.00 3.12 C ATOM 942 C LEU A 57 -4.826 8.466 -5.176 1.00 34.54 C ATOM 943 O LEU A 57 -5.358 7.515 -5.750 1.00 70.11 O ATOM 944 CB LEU A 57 -4.481 8.392 -2.694 1.00 64.54 C ATOM 945 CG LEU A 57 -3.844 7.603 -1.541 1.00 72.22 C ATOM 946 CD1 LEU A 57 -4.055 6.110 -1.735 1.00 62.04 C ATOM 947 CD2 LEU A 57 -2.358 7.909 -1.404 1.00 33.21 C ATOM 0 H LEU A 57 -2.590 9.800 -3.370 1.00 61.11 H new ATOM 0 HA LEU A 57 -3.413 7.229 -4.160 1.00 3.12 H new ATOM 0 HB2 LEU A 57 -4.484 9.449 -2.427 1.00 64.54 H new ATOM 0 HB3 LEU A 57 -5.522 8.084 -2.788 1.00 64.54 H new ATOM 0 HG LEU A 57 -4.337 7.915 -0.620 1.00 72.22 H new ATOM 0 HD11 LEU A 57 -3.597 5.567 -0.908 1.00 62.04 H new ATOM 0 HD12 LEU A 57 -5.123 5.894 -1.763 1.00 62.04 H new ATOM 0 HD13 LEU A 57 -3.597 5.797 -2.673 1.00 62.04 H new ATOM 0 HD21 LEU A 57 -1.942 7.332 -0.578 1.00 33.21 H new ATOM 0 HD22 LEU A 57 -1.845 7.642 -2.328 1.00 33.21 H new ATOM 0 HD23 LEU A 57 -2.222 8.973 -1.208 1.00 33.21 H new ATOM 959 N ARG A 58 -5.080 9.731 -5.472 1.00 2.32 N ATOM 960 CA ARG A 58 -5.999 10.125 -6.532 1.00 43.34 C ATOM 961 C ARG A 58 -5.537 9.587 -7.885 1.00 42.14 C ATOM 962 O ARG A 58 -6.289 8.903 -8.583 1.00 2.31 O ATOM 963 CB ARG A 58 -6.093 11.651 -6.565 1.00 11.13 C ATOM 964 CG ARG A 58 -6.951 12.215 -7.682 1.00 21.53 C ATOM 965 CD ARG A 58 -6.967 13.728 -7.619 1.00 15.51 C ATOM 966 NE ARG A 58 -7.655 14.331 -8.757 1.00 40.35 N ATOM 967 CZ ARG A 58 -7.970 15.624 -8.823 1.00 22.35 C ATOM 968 NH1 ARG A 58 -7.650 16.432 -7.821 1.00 74.22 N ATOM 969 NH2 ARG A 58 -8.596 16.110 -9.887 1.00 2.24 N ATOM 0 H ARG A 58 -4.653 10.518 -4.983 1.00 2.32 H new ATOM 0 HA ARG A 58 -6.983 9.701 -6.329 1.00 43.34 H new ATOM 0 HB2 ARG A 58 -6.491 11.996 -5.611 1.00 11.13 H new ATOM 0 HB3 ARG A 58 -5.087 12.060 -6.657 1.00 11.13 H new ATOM 0 HG2 ARG A 58 -6.564 11.888 -8.647 1.00 21.53 H new ATOM 0 HG3 ARG A 58 -7.967 11.830 -7.599 1.00 21.53 H new ATOM 0 HD2 ARG A 58 -7.453 14.044 -6.696 1.00 15.51 H new ATOM 0 HD3 ARG A 58 -5.942 14.097 -7.582 1.00 15.51 H new ATOM 0 HE ARG A 58 -7.908 13.731 -9.542 1.00 40.35 H new ATOM 0 HH11 ARG A 58 -7.164 16.063 -7.003 1.00 74.22 H new ATOM 0 HH12 ARG A 58 -7.890 17.422 -7.868 1.00 74.22 H new ATOM 0 HH21 ARG A 58 -8.839 15.493 -10.662 1.00 2.24 H new ATOM 0 HH22 ARG A 58 -8.834 17.101 -9.930 1.00 2.24 H new ATOM 983 N ASP A 59 -4.292 9.882 -8.239 1.00 71.52 N ATOM 984 CA ASP A 59 -3.726 9.440 -9.510 1.00 40.53 C ATOM 985 C ASP A 59 -3.599 7.924 -9.554 1.00 23.42 C ATOM 986 O ASP A 59 -3.853 7.298 -10.584 1.00 31.34 O ATOM 987 CB ASP A 59 -2.354 10.083 -9.737 1.00 61.13 C ATOM 988 CG ASP A 59 -1.684 9.608 -11.014 1.00 14.54 C ATOM 989 OD1 ASP A 59 -2.044 10.111 -12.104 1.00 64.23 O ATOM 990 OD2 ASP A 59 -0.787 8.745 -10.937 1.00 34.44 O ATOM 0 H ASP A 59 -3.652 10.428 -7.662 1.00 71.52 H new ATOM 0 HA ASP A 59 -4.403 9.753 -10.304 1.00 40.53 H new ATOM 0 HB2 ASP A 59 -2.467 11.166 -9.773 1.00 61.13 H new ATOM 0 HB3 ASP A 59 -1.708 9.858 -8.888 1.00 61.13 H new ATOM 995 N TYR A 60 -3.234 7.340 -8.421 1.00 51.13 N ATOM 996 CA TYR A 60 -3.001 5.906 -8.341 1.00 23.23 C ATOM 997 C TYR A 60 -4.306 5.131 -8.435 1.00 64.01 C ATOM 998 O TYR A 60 -4.320 3.991 -8.890 1.00 74.33 O ATOM 999 CB TYR A 60 -2.269 5.551 -7.049 1.00 73.34 C ATOM 1000 CG TYR A 60 -1.142 4.569 -7.255 1.00 51.34 C ATOM 1001 CD1 TYR A 60 0.064 4.984 -7.810 1.00 24.31 C ATOM 1002 CD2 TYR A 60 -1.279 3.233 -6.903 1.00 63.35 C ATOM 1003 CE1 TYR A 60 1.101 4.094 -8.007 1.00 65.14 C ATOM 1004 CE2 TYR A 60 -0.246 2.336 -7.100 1.00 55.11 C ATOM 1005 CZ TYR A 60 0.942 2.774 -7.651 1.00 41.32 C ATOM 1006 OH TYR A 60 1.969 1.882 -7.856 1.00 44.14 O ATOM 0 H TYR A 60 -3.093 7.839 -7.543 1.00 51.13 H new ATOM 0 HA TYR A 60 -2.375 5.623 -9.188 1.00 23.23 H new ATOM 0 HB2 TYR A 60 -1.871 6.462 -6.602 1.00 73.34 H new ATOM 0 HB3 TYR A 60 -2.982 5.132 -6.338 1.00 73.34 H new ATOM 0 HD1 TYR A 60 0.191 6.019 -8.091 1.00 24.31 H new ATOM 0 HD2 TYR A 60 -2.206 2.890 -6.469 1.00 63.35 H new ATOM 0 HE1 TYR A 60 2.032 4.432 -8.438 1.00 65.14 H new ATOM 0 HE2 TYR A 60 -0.367 1.299 -6.825 1.00 55.11 H new ATOM 0 HH TYR A 60 1.773 1.332 -8.643 1.00 44.14 H new ATOM 1016 N LEU A 61 -5.398 5.740 -7.992 1.00 31.04 N ATOM 1017 CA LEU A 61 -6.717 5.146 -8.153 1.00 1.12 C ATOM 1018 C LEU A 61 -7.069 5.055 -9.631 1.00 23.24 C ATOM 1019 O LEU A 61 -7.511 4.012 -10.119 1.00 2.01 O ATOM 1020 CB LEU A 61 -7.772 5.975 -7.424 1.00 1.41 C ATOM 1021 CG LEU A 61 -9.221 5.559 -7.686 1.00 2.30 C ATOM 1022 CD1 LEU A 61 -9.523 4.208 -7.057 1.00 55.30 C ATOM 1023 CD2 LEU A 61 -10.183 6.621 -7.176 1.00 14.13 C ATOM 0 H LEU A 61 -5.396 6.644 -7.519 1.00 31.04 H new ATOM 0 HA LEU A 61 -6.699 4.145 -7.723 1.00 1.12 H new ATOM 0 HB2 LEU A 61 -7.582 5.915 -6.352 1.00 1.41 H new ATOM 0 HB3 LEU A 61 -7.653 7.020 -7.711 1.00 1.41 H new ATOM 0 HG LEU A 61 -9.357 5.463 -8.763 1.00 2.30 H new ATOM 0 HD11 LEU A 61 -10.559 3.936 -7.258 1.00 55.30 H new ATOM 0 HD12 LEU A 61 -8.861 3.453 -7.481 1.00 55.30 H new ATOM 0 HD13 LEU A 61 -9.366 4.265 -5.980 1.00 55.30 H new ATOM 0 HD21 LEU A 61 -11.208 6.307 -7.371 1.00 14.13 H new ATOM 0 HD22 LEU A 61 -10.042 6.754 -6.103 1.00 14.13 H new ATOM 0 HD23 LEU A 61 -9.989 7.564 -7.687 1.00 14.13 H new ATOM 1035 N ILE A 62 -6.868 6.159 -10.333 1.00 60.50 N ATOM 1036 CA ILE A 62 -7.067 6.194 -11.777 1.00 72.24 C ATOM 1037 C ILE A 62 -6.149 5.178 -12.450 1.00 53.44 C ATOM 1038 O ILE A 62 -6.594 4.352 -13.239 1.00 53.32 O ATOM 1039 CB ILE A 62 -6.787 7.600 -12.353 1.00 24.42 C ATOM 1040 CG1 ILE A 62 -7.698 8.644 -11.694 1.00 35.34 C ATOM 1041 CG2 ILE A 62 -6.967 7.609 -13.867 1.00 63.34 C ATOM 1042 CD1 ILE A 62 -9.178 8.368 -11.872 1.00 30.35 C ATOM 0 H ILE A 62 -6.567 7.045 -9.927 1.00 60.50 H new ATOM 0 HA ILE A 62 -8.109 5.945 -11.977 1.00 72.24 H new ATOM 0 HB ILE A 62 -5.752 7.859 -12.132 1.00 24.42 H new ATOM 0 HG12 ILE A 62 -7.472 8.688 -10.629 1.00 35.34 H new ATOM 0 HG13 ILE A 62 -7.469 9.625 -12.109 1.00 35.34 H new ATOM 0 HG21 ILE A 62 -6.765 8.609 -14.251 1.00 63.34 H new ATOM 0 HG22 ILE A 62 -6.275 6.899 -14.320 1.00 63.34 H new ATOM 0 HG23 ILE A 62 -7.990 7.325 -14.113 1.00 63.34 H new ATOM 0 HD11 ILE A 62 -9.756 9.149 -11.378 1.00 30.35 H new ATOM 0 HD12 ILE A 62 -9.420 8.354 -12.935 1.00 30.35 H new ATOM 0 HD13 ILE A 62 -9.424 7.402 -11.431 1.00 30.35 H new ATOM 1054 N TYR A 63 -4.871 5.235 -12.088 1.00 34.15 N ATOM 1055 CA TYR A 63 -3.856 4.311 -12.597 1.00 72.34 C ATOM 1056 C TYR A 63 -4.257 2.855 -12.344 1.00 21.33 C ATOM 1057 O TYR A 63 -4.041 1.981 -13.186 1.00 43.14 O ATOM 1058 CB TYR A 63 -2.517 4.633 -11.918 1.00 40.55 C ATOM 1059 CG TYR A 63 -1.361 3.749 -12.324 1.00 54.31 C ATOM 1060 CD1 TYR A 63 -0.727 3.919 -13.547 1.00 74.05 C ATOM 1061 CD2 TYR A 63 -0.897 2.754 -11.477 1.00 24.34 C ATOM 1062 CE1 TYR A 63 0.338 3.120 -13.915 1.00 33.15 C ATOM 1063 CE2 TYR A 63 0.168 1.952 -11.835 1.00 1.50 C ATOM 1064 CZ TYR A 63 0.781 2.137 -13.056 1.00 32.54 C ATOM 1065 OH TYR A 63 1.840 1.336 -13.419 1.00 43.41 O ATOM 0 H TYR A 63 -4.506 5.925 -11.431 1.00 34.15 H new ATOM 0 HA TYR A 63 -3.762 4.435 -13.676 1.00 72.34 H new ATOM 0 HB2 TYR A 63 -2.256 5.668 -12.137 1.00 40.55 H new ATOM 0 HB3 TYR A 63 -2.648 4.559 -10.838 1.00 40.55 H new ATOM 0 HD1 TYR A 63 -1.072 4.688 -14.222 1.00 74.05 H new ATOM 0 HD2 TYR A 63 -1.377 2.604 -10.521 1.00 24.34 H new ATOM 0 HE1 TYR A 63 0.821 3.265 -14.870 1.00 33.15 H new ATOM 0 HE2 TYR A 63 0.519 1.184 -11.162 1.00 1.50 H new ATOM 0 HH TYR A 63 1.576 0.395 -13.352 1.00 43.41 H new ATOM 1075 N MET A 64 -4.854 2.612 -11.187 1.00 54.03 N ATOM 1076 CA MET A 64 -5.272 1.275 -10.783 1.00 45.31 C ATOM 1077 C MET A 64 -6.328 0.709 -11.726 1.00 44.11 C ATOM 1078 O MET A 64 -6.233 -0.437 -12.173 1.00 75.22 O ATOM 1079 CB MET A 64 -5.853 1.327 -9.373 1.00 53.10 C ATOM 1080 CG MET A 64 -6.056 -0.033 -8.741 1.00 75.23 C ATOM 1081 SD MET A 64 -4.567 -0.637 -7.932 1.00 51.44 S ATOM 1082 CE MET A 64 -4.264 0.705 -6.778 1.00 22.14 C ATOM 0 H MET A 64 -5.063 3.336 -10.500 1.00 54.03 H new ATOM 0 HA MET A 64 -4.395 0.628 -10.815 1.00 45.31 H new ATOM 0 HB2 MET A 64 -5.190 1.916 -8.739 1.00 53.10 H new ATOM 0 HB3 MET A 64 -6.810 1.848 -9.404 1.00 53.10 H new ATOM 0 HG2 MET A 64 -6.865 0.024 -8.013 1.00 75.23 H new ATOM 0 HG3 MET A 64 -6.365 -0.745 -9.506 1.00 75.23 H new ATOM 0 HE1 MET A 64 -3.707 0.328 -5.920 1.00 22.14 H new ATOM 0 HE2 MET A 64 -3.686 1.486 -7.272 1.00 22.14 H new ATOM 0 HE3 MET A 64 -5.215 1.116 -6.440 1.00 22.14 H new ATOM 1092 N LYS A 65 -7.336 1.519 -12.012 1.00 44.42 N ATOM 1093 CA LYS A 65 -8.473 1.078 -12.808 1.00 44.13 C ATOM 1094 C LYS A 65 -8.151 1.172 -14.297 1.00 54.03 C ATOM 1095 O LYS A 65 -8.456 0.264 -15.073 1.00 43.41 O ATOM 1096 CB LYS A 65 -9.706 1.930 -12.455 1.00 51.31 C ATOM 1097 CG LYS A 65 -11.043 1.334 -12.887 1.00 71.22 C ATOM 1098 CD LYS A 65 -11.304 1.517 -14.372 1.00 60.12 C ATOM 1099 CE LYS A 65 -12.573 0.806 -14.806 1.00 63.33 C ATOM 1100 NZ LYS A 65 -12.781 0.894 -16.274 1.00 13.12 N ATOM 0 H LYS A 65 -7.390 2.490 -11.703 1.00 44.42 H new ATOM 0 HA LYS A 65 -8.690 0.034 -12.581 1.00 44.13 H new ATOM 0 HB2 LYS A 65 -9.725 2.086 -11.376 1.00 51.31 H new ATOM 0 HB3 LYS A 65 -9.596 2.911 -12.917 1.00 51.31 H new ATOM 0 HG2 LYS A 65 -11.059 0.271 -12.646 1.00 71.22 H new ATOM 0 HG3 LYS A 65 -11.847 1.802 -12.319 1.00 71.22 H new ATOM 0 HD2 LYS A 65 -11.385 2.580 -14.600 1.00 60.12 H new ATOM 0 HD3 LYS A 65 -10.458 1.133 -14.941 1.00 60.12 H new ATOM 0 HE2 LYS A 65 -12.523 -0.241 -14.508 1.00 63.33 H new ATOM 0 HE3 LYS A 65 -13.429 1.243 -14.291 1.00 63.33 H new ATOM 0 HZ1 LYS A 65 -13.657 0.397 -16.531 1.00 13.12 H new ATOM 0 HZ2 LYS A 65 -12.855 1.893 -16.555 1.00 13.12 H new ATOM 0 HZ3 LYS A 65 -11.977 0.454 -16.766 1.00 13.12 H new ATOM 1114 N LYS A 66 -7.517 2.268 -14.677 1.00 4.22 N ATOM 1115 CA LYS A 66 -7.214 2.548 -16.071 1.00 43.31 C ATOM 1116 C LYS A 66 -6.073 1.669 -16.580 1.00 41.03 C ATOM 1117 O LYS A 66 -6.250 0.887 -17.513 1.00 14.11 O ATOM 1118 CB LYS A 66 -6.835 4.023 -16.218 1.00 10.44 C ATOM 1119 CG LYS A 66 -6.530 4.464 -17.639 1.00 71.11 C ATOM 1120 CD LYS A 66 -7.786 4.555 -18.485 1.00 74.14 C ATOM 1121 CE LYS A 66 -7.508 5.252 -19.806 1.00 34.12 C ATOM 1122 NZ LYS A 66 -6.936 6.611 -19.599 1.00 64.23 N ATOM 0 H LYS A 66 -7.198 2.988 -14.029 1.00 4.22 H new ATOM 0 HA LYS A 66 -8.099 2.327 -16.667 1.00 43.31 H new ATOM 0 HB2 LYS A 66 -7.651 4.633 -15.830 1.00 10.44 H new ATOM 0 HB3 LYS A 66 -5.963 4.223 -15.595 1.00 10.44 H new ATOM 0 HG2 LYS A 66 -6.034 5.435 -17.619 1.00 71.11 H new ATOM 0 HG3 LYS A 66 -5.835 3.760 -18.096 1.00 71.11 H new ATOM 0 HD2 LYS A 66 -8.174 3.554 -18.673 1.00 74.14 H new ATOM 0 HD3 LYS A 66 -8.557 5.099 -17.939 1.00 74.14 H new ATOM 0 HE2 LYS A 66 -6.816 4.651 -20.396 1.00 34.12 H new ATOM 0 HE3 LYS A 66 -8.432 5.329 -20.379 1.00 34.12 H new ATOM 0 HZ1 LYS A 66 -7.387 7.281 -20.254 1.00 64.23 H new ATOM 0 HZ2 LYS A 66 -7.109 6.915 -18.619 1.00 64.23 H new ATOM 0 HZ3 LYS A 66 -5.912 6.588 -19.779 1.00 64.23 H new ATOM 1136 N THR A 67 -4.907 1.807 -15.964 1.00 3.32 N ATOM 1137 CA THR A 67 -3.705 1.142 -16.438 1.00 31.12 C ATOM 1138 C THR A 67 -3.642 -0.322 -16.003 1.00 33.13 C ATOM 1139 O THR A 67 -3.366 -1.202 -16.823 1.00 12.31 O ATOM 1140 CB THR A 67 -2.443 1.875 -15.944 1.00 32.03 C ATOM 1141 OG1 THR A 67 -2.533 3.272 -16.272 1.00 73.04 O ATOM 1142 CG2 THR A 67 -1.185 1.281 -16.566 1.00 44.32 C ATOM 0 H THR A 67 -4.770 2.378 -15.130 1.00 3.32 H new ATOM 0 HA THR A 67 -3.744 1.171 -17.527 1.00 31.12 H new ATOM 0 HB THR A 67 -2.380 1.755 -14.862 1.00 32.03 H new ATOM 0 HG1 THR A 67 -2.056 3.798 -15.597 1.00 73.04 H new ATOM 0 HG21 THR A 67 -0.310 1.818 -16.200 1.00 44.32 H new ATOM 0 HG22 THR A 67 -1.106 0.229 -16.293 1.00 44.32 H new ATOM 0 HG23 THR A 67 -1.238 1.371 -17.651 1.00 44.32 H new ATOM 1150 N LEU A 68 -3.897 -0.585 -14.725 1.00 44.15 N ATOM 1151 CA LEU A 68 -3.682 -1.920 -14.182 1.00 31.31 C ATOM 1152 C LEU A 68 -4.847 -2.852 -14.529 1.00 50.41 C ATOM 1153 O LEU A 68 -4.833 -3.487 -15.581 1.00 24.12 O ATOM 1154 CB LEU A 68 -3.482 -1.841 -12.658 1.00 11.41 C ATOM 1155 CG LEU A 68 -2.566 -2.907 -12.038 1.00 62.45 C ATOM 1156 CD1 LEU A 68 -2.376 -2.629 -10.554 1.00 11.04 C ATOM 1157 CD2 LEU A 68 -3.119 -4.312 -12.243 1.00 35.01 C ATOM 0 H LEU A 68 -4.248 0.099 -14.055 1.00 44.15 H new ATOM 0 HA LEU A 68 -2.782 -2.335 -14.634 1.00 31.31 H new ATOM 0 HB2 LEU A 68 -3.077 -0.858 -12.416 1.00 11.41 H new ATOM 0 HB3 LEU A 68 -4.459 -1.909 -12.180 1.00 11.41 H new ATOM 0 HG LEU A 68 -1.602 -2.854 -12.543 1.00 62.45 H new ATOM 0 HD11 LEU A 68 -1.725 -3.389 -10.122 1.00 11.04 H new ATOM 0 HD12 LEU A 68 -1.923 -1.646 -10.423 1.00 11.04 H new ATOM 0 HD13 LEU A 68 -3.344 -2.652 -10.053 1.00 11.04 H new ATOM 0 HD21 LEU A 68 -2.444 -5.038 -11.791 1.00 35.01 H new ATOM 0 HD22 LEU A 68 -4.100 -4.389 -11.775 1.00 35.01 H new ATOM 0 HD23 LEU A 68 -3.209 -4.515 -13.310 1.00 35.01 H new ATOM 1169 N CYS A 69 -5.876 -2.866 -13.680 1.00 73.11 N ATOM 1170 CA CYS A 69 -6.970 -3.842 -13.779 1.00 43.43 C ATOM 1171 C CYS A 69 -8.064 -3.542 -12.760 1.00 72.20 C ATOM 1172 O CYS A 69 -9.249 -3.495 -13.093 1.00 52.21 O ATOM 1173 CB CYS A 69 -6.481 -5.277 -13.496 1.00 3.22 C ATOM 1174 SG CYS A 69 -5.492 -6.043 -14.798 1.00 5.42 S ATOM 0 H CYS A 69 -5.977 -2.207 -12.908 1.00 73.11 H new ATOM 0 HA CYS A 69 -7.351 -3.765 -14.797 1.00 43.43 H new ATOM 0 HB2 CYS A 69 -5.893 -5.266 -12.578 1.00 3.22 H new ATOM 0 HB3 CYS A 69 -7.351 -5.907 -13.309 1.00 3.22 H new ATOM 0 HG CYS A 69 -4.792 -5.131 -15.404 1.00 5.42 H new ATOM 1180 N ASN A 70 -7.635 -3.343 -11.518 1.00 14.04 N ATOM 1181 CA ASN A 70 -8.537 -3.336 -10.368 1.00 75.24 C ATOM 1182 C ASN A 70 -9.589 -2.243 -10.457 1.00 30.13 C ATOM 1183 O ASN A 70 -9.310 -1.123 -10.871 1.00 12.40 O ATOM 1184 CB ASN A 70 -7.749 -3.167 -9.067 1.00 60.44 C ATOM 1185 CG ASN A 70 -6.619 -4.164 -8.936 1.00 43.10 C ATOM 1186 OD1 ASN A 70 -6.796 -5.267 -8.431 1.00 31.33 O ATOM 1187 ND2 ASN A 70 -5.441 -3.770 -9.382 1.00 35.53 N ATOM 0 H ASN A 70 -6.656 -3.182 -11.279 1.00 14.04 H new ATOM 0 HA ASN A 70 -9.050 -4.298 -10.373 1.00 75.24 H new ATOM 0 HB2 ASN A 70 -7.344 -2.156 -9.021 1.00 60.44 H new ATOM 0 HB3 ASN A 70 -8.426 -3.278 -8.220 1.00 60.44 H new ATOM 0 HD21 ASN A 70 -4.635 -4.392 -9.313 1.00 35.53 H new ATOM 0 HD22 ASN A 70 -5.336 -2.844 -9.796 1.00 35.53 H new ATOM 1194 N ALA A 71 -10.799 -2.592 -10.051 1.00 3.42 N ATOM 1195 CA ALA A 71 -11.889 -1.635 -9.955 1.00 31.12 C ATOM 1196 C ALA A 71 -11.804 -0.896 -8.625 1.00 33.11 C ATOM 1197 O ALA A 71 -10.892 -1.150 -7.844 1.00 64.31 O ATOM 1198 CB ALA A 71 -13.226 -2.347 -10.090 1.00 64.12 C ATOM 0 H ALA A 71 -11.053 -3.542 -9.780 1.00 3.42 H new ATOM 0 HA ALA A 71 -11.806 -0.911 -10.765 1.00 31.12 H new ATOM 0 HB1 ALA A 71 -14.035 -1.620 -10.016 1.00 64.12 H new ATOM 0 HB2 ALA A 71 -13.275 -2.848 -11.057 1.00 64.12 H new ATOM 0 HB3 ALA A 71 -13.328 -3.084 -9.294 1.00 64.12 H new ATOM 1204 N ASP A 72 -12.764 -0.010 -8.363 1.00 53.10 N ATOM 1205 CA ASP A 72 -12.753 0.831 -7.157 1.00 50.02 C ATOM 1206 C ASP A 72 -12.524 0.001 -5.900 1.00 1.23 C ATOM 1207 O ASP A 72 -11.572 0.233 -5.154 1.00 3.21 O ATOM 1208 CB ASP A 72 -14.077 1.591 -7.011 1.00 62.02 C ATOM 1209 CG ASP A 72 -14.453 2.374 -8.254 1.00 72.51 C ATOM 1210 OD1 ASP A 72 -14.930 1.756 -9.228 1.00 71.01 O ATOM 1211 OD2 ASP A 72 -14.290 3.613 -8.258 1.00 44.14 O ATOM 0 H ASP A 72 -13.567 0.148 -8.972 1.00 53.10 H new ATOM 0 HA ASP A 72 -11.932 1.539 -7.271 1.00 50.02 H new ATOM 0 HB2 ASP A 72 -14.872 0.882 -6.781 1.00 62.02 H new ATOM 0 HB3 ASP A 72 -14.005 2.275 -6.166 1.00 62.02 H new ATOM 1216 N SER A 73 -13.398 -0.975 -5.685 1.00 62.02 N ATOM 1217 CA SER A 73 -13.353 -1.808 -4.492 1.00 13.10 C ATOM 1218 C SER A 73 -12.001 -2.512 -4.349 1.00 2.24 C ATOM 1219 O SER A 73 -11.405 -2.505 -3.272 1.00 2.24 O ATOM 1220 CB SER A 73 -14.479 -2.838 -4.537 1.00 32.35 C ATOM 1221 OG SER A 73 -15.730 -2.209 -4.757 1.00 43.14 O ATOM 0 H SER A 73 -14.153 -1.210 -6.329 1.00 62.02 H new ATOM 0 HA SER A 73 -13.485 -1.162 -3.624 1.00 13.10 H new ATOM 0 HB2 SER A 73 -14.286 -3.560 -5.330 1.00 32.35 H new ATOM 0 HB3 SER A 73 -14.507 -3.394 -3.600 1.00 32.35 H new ATOM 0 HG SER A 73 -16.437 -2.887 -4.784 1.00 43.14 H new ATOM 1227 N THR A 74 -11.511 -3.097 -5.436 1.00 4.01 N ATOM 1228 CA THR A 74 -10.255 -3.831 -5.406 1.00 13.43 C ATOM 1229 C THR A 74 -9.070 -2.875 -5.258 1.00 45.25 C ATOM 1230 O THR A 74 -8.085 -3.186 -4.582 1.00 3.04 O ATOM 1231 CB THR A 74 -10.089 -4.672 -6.682 1.00 31.45 C ATOM 1232 OG1 THR A 74 -11.374 -5.154 -7.107 1.00 30.55 O ATOM 1233 CG2 THR A 74 -9.165 -5.854 -6.431 1.00 54.32 C ATOM 0 H THR A 74 -11.966 -3.076 -6.349 1.00 4.01 H new ATOM 0 HA THR A 74 -10.277 -4.497 -4.544 1.00 13.43 H new ATOM 0 HB THR A 74 -9.651 -4.044 -7.458 1.00 31.45 H new ATOM 0 HG1 THR A 74 -11.270 -5.689 -7.921 1.00 30.55 H new ATOM 0 HG21 THR A 74 -9.061 -6.436 -7.347 1.00 54.32 H new ATOM 0 HG22 THR A 74 -8.186 -5.491 -6.119 1.00 54.32 H new ATOM 0 HG23 THR A 74 -9.585 -6.484 -5.647 1.00 54.32 H new ATOM 1241 N ALA A 75 -9.186 -1.704 -5.875 1.00 41.20 N ATOM 1242 CA ALA A 75 -8.166 -0.668 -5.767 1.00 51.42 C ATOM 1243 C ALA A 75 -7.978 -0.270 -4.316 1.00 41.14 C ATOM 1244 O ALA A 75 -6.859 -0.046 -3.859 1.00 44.13 O ATOM 1245 CB ALA A 75 -8.553 0.549 -6.593 1.00 63.10 C ATOM 0 H ALA A 75 -9.982 -1.448 -6.459 1.00 41.20 H new ATOM 0 HA ALA A 75 -7.227 -1.066 -6.151 1.00 51.42 H new ATOM 0 HB1 ALA A 75 -7.780 1.312 -6.501 1.00 63.10 H new ATOM 0 HB2 ALA A 75 -8.655 0.261 -7.639 1.00 63.10 H new ATOM 0 HB3 ALA A 75 -9.501 0.947 -6.232 1.00 63.10 H new ATOM 1251 N GLN A 76 -9.090 -0.207 -3.595 1.00 11.20 N ATOM 1252 CA GLN A 76 -9.089 0.133 -2.189 1.00 11.33 C ATOM 1253 C GLN A 76 -8.229 -0.841 -1.393 1.00 31.33 C ATOM 1254 O GLN A 76 -7.565 -0.454 -0.438 1.00 0.13 O ATOM 1255 CB GLN A 76 -10.524 0.113 -1.676 1.00 53.02 C ATOM 1256 CG GLN A 76 -11.356 1.294 -2.149 1.00 62.23 C ATOM 1257 CD GLN A 76 -10.828 2.620 -1.644 1.00 61.52 C ATOM 1258 OE1 GLN A 76 -11.180 3.070 -0.554 1.00 11.52 O ATOM 1259 NE2 GLN A 76 -9.993 3.260 -2.445 1.00 64.44 N ATOM 0 H GLN A 76 -10.018 -0.392 -3.976 1.00 11.20 H new ATOM 0 HA GLN A 76 -8.665 1.129 -2.062 1.00 11.33 H new ATOM 0 HB2 GLN A 76 -11.004 -0.811 -1.999 1.00 53.02 H new ATOM 0 HB3 GLN A 76 -10.511 0.102 -0.586 1.00 53.02 H new ATOM 0 HG2 GLN A 76 -11.375 1.306 -3.239 1.00 62.23 H new ATOM 0 HG3 GLN A 76 -12.385 1.166 -1.814 1.00 62.23 H new ATOM 0 HE21 GLN A 76 -9.729 2.849 -3.340 1.00 64.44 H new ATOM 0 HE22 GLN A 76 -9.613 4.165 -2.168 1.00 64.44 H new ATOM 1268 N ARG A 77 -8.231 -2.102 -1.808 1.00 42.54 N ATOM 1269 CA ARG A 77 -7.436 -3.132 -1.145 1.00 72.53 C ATOM 1270 C ARG A 77 -5.946 -2.931 -1.410 1.00 42.31 C ATOM 1271 O ARG A 77 -5.131 -2.989 -0.488 1.00 63.10 O ATOM 1272 CB ARG A 77 -7.859 -4.534 -1.603 1.00 74.44 C ATOM 1273 CG ARG A 77 -9.064 -5.101 -0.860 1.00 32.43 C ATOM 1274 CD ARG A 77 -10.321 -4.281 -1.095 1.00 61.21 C ATOM 1275 NE ARG A 77 -11.463 -4.804 -0.354 1.00 65.41 N ATOM 1276 CZ ARG A 77 -12.596 -4.136 -0.165 1.00 20.03 C ATOM 1277 NH1 ARG A 77 -12.781 -2.953 -0.741 1.00 40.32 N ATOM 1278 NH2 ARG A 77 -13.557 -4.665 0.577 1.00 65.12 N ATOM 0 H ARG A 77 -8.775 -2.438 -2.603 1.00 42.54 H new ATOM 0 HA ARG A 77 -7.616 -3.043 -0.074 1.00 72.53 H new ATOM 0 HB2 ARG A 77 -8.086 -4.502 -2.669 1.00 74.44 H new ATOM 0 HB3 ARG A 77 -7.017 -5.214 -1.477 1.00 74.44 H new ATOM 0 HG2 ARG A 77 -9.237 -6.128 -1.182 1.00 32.43 H new ATOM 0 HG3 ARG A 77 -8.848 -5.134 0.208 1.00 32.43 H new ATOM 0 HD2 ARG A 77 -10.140 -3.248 -0.799 1.00 61.21 H new ATOM 0 HD3 ARG A 77 -10.554 -4.272 -2.160 1.00 61.21 H new ATOM 0 HE ARG A 77 -11.387 -5.740 0.044 1.00 65.41 H new ATOM 0 HH11 ARG A 77 -12.051 -2.554 -1.331 1.00 40.32 H new ATOM 0 HH12 ARG A 77 -13.653 -2.444 -0.593 1.00 40.32 H new ATOM 0 HH21 ARG A 77 -13.426 -5.583 1.002 1.00 65.12 H new ATOM 0 HH22 ARG A 77 -14.428 -4.154 0.724 1.00 65.12 H new ATOM 1292 N ASN A 78 -5.594 -2.679 -2.668 1.00 51.41 N ATOM 1293 CA ASN A 78 -4.207 -2.516 -3.060 1.00 24.34 C ATOM 1294 C ASN A 78 -3.637 -1.209 -2.507 1.00 14.01 C ATOM 1295 O ASN A 78 -2.427 -1.050 -2.378 1.00 1.23 O ATOM 1296 CB ASN A 78 -4.108 -2.544 -4.581 1.00 12.35 C ATOM 1297 CG ASN A 78 -2.687 -2.701 -5.069 1.00 22.50 C ATOM 1298 OD1 ASN A 78 -1.850 -3.319 -4.412 1.00 74.32 O ATOM 1299 ND2 ASN A 78 -2.410 -2.153 -6.234 1.00 20.23 N ATOM 0 H ASN A 78 -6.260 -2.584 -3.435 1.00 51.41 H new ATOM 0 HA ASN A 78 -3.620 -3.336 -2.646 1.00 24.34 H new ATOM 0 HB2 ASN A 78 -4.713 -3.365 -4.965 1.00 12.35 H new ATOM 0 HB3 ASN A 78 -4.527 -1.623 -4.986 1.00 12.35 H new ATOM 0 HD21 ASN A 78 -1.471 -2.232 -6.625 1.00 20.23 H new ATOM 0 HD22 ASN A 78 -3.134 -1.649 -6.746 1.00 20.23 H new ATOM 1306 N LEU A 79 -4.520 -0.272 -2.190 1.00 63.12 N ATOM 1307 CA LEU A 79 -4.112 0.970 -1.549 1.00 22.53 C ATOM 1308 C LEU A 79 -4.065 0.800 -0.032 1.00 2.52 C ATOM 1309 O LEU A 79 -3.245 1.414 0.650 1.00 20.33 O ATOM 1310 CB LEU A 79 -5.065 2.111 -1.920 1.00 43.32 C ATOM 1311 CG LEU A 79 -5.043 2.534 -3.394 1.00 30.35 C ATOM 1312 CD1 LEU A 79 -6.081 3.615 -3.655 1.00 25.54 C ATOM 1313 CD2 LEU A 79 -3.655 3.013 -3.796 1.00 24.12 C ATOM 0 H LEU A 79 -5.522 -0.348 -2.366 1.00 63.12 H new ATOM 0 HA LEU A 79 -3.113 1.222 -1.905 1.00 22.53 H new ATOM 0 HB2 LEU A 79 -6.081 1.812 -1.661 1.00 43.32 H new ATOM 0 HB3 LEU A 79 -4.822 2.979 -1.307 1.00 43.32 H new ATOM 0 HG LEU A 79 -5.292 1.665 -4.003 1.00 30.35 H new ATOM 0 HD11 LEU A 79 -6.051 3.902 -4.706 1.00 25.54 H new ATOM 0 HD12 LEU A 79 -7.073 3.234 -3.412 1.00 25.54 H new ATOM 0 HD13 LEU A 79 -5.865 4.485 -3.035 1.00 25.54 H new ATOM 0 HD21 LEU A 79 -3.662 3.308 -4.845 1.00 24.12 H new ATOM 0 HD22 LEU A 79 -3.372 3.867 -3.181 1.00 24.12 H new ATOM 0 HD23 LEU A 79 -2.936 2.207 -3.650 1.00 24.12 H new ATOM 1325 N SER A 80 -4.943 -0.052 0.487 1.00 70.14 N ATOM 1326 CA SER A 80 -5.023 -0.303 1.920 1.00 61.53 C ATOM 1327 C SER A 80 -3.739 -0.941 2.439 1.00 41.11 C ATOM 1328 O SER A 80 -3.330 -0.679 3.570 1.00 53.04 O ATOM 1329 CB SER A 80 -6.225 -1.197 2.241 1.00 11.44 C ATOM 1330 OG SER A 80 -6.362 -1.400 3.639 1.00 21.11 O ATOM 0 H SER A 80 -5.613 -0.583 -0.069 1.00 70.14 H new ATOM 0 HA SER A 80 -5.153 0.656 2.421 1.00 61.53 H new ATOM 0 HB2 SER A 80 -7.134 -0.742 1.847 1.00 11.44 H new ATOM 0 HB3 SER A 80 -6.108 -2.159 1.742 1.00 11.44 H new ATOM 0 HG SER A 80 -7.138 -1.973 3.812 1.00 21.11 H new ATOM 1336 N THR A 81 -3.105 -1.770 1.615 1.00 43.13 N ATOM 1337 CA THR A 81 -1.853 -2.414 1.994 1.00 41.21 C ATOM 1338 C THR A 81 -0.779 -1.368 2.277 1.00 13.31 C ATOM 1339 O THR A 81 -0.104 -1.412 3.309 1.00 61.54 O ATOM 1340 CB THR A 81 -1.360 -3.373 0.895 1.00 53.23 C ATOM 1341 OG1 THR A 81 -1.360 -2.699 -0.369 1.00 14.31 O ATOM 1342 CG2 THR A 81 -2.238 -4.612 0.817 1.00 13.51 C ATOM 0 H THR A 81 -3.438 -2.011 0.681 1.00 43.13 H new ATOM 0 HA THR A 81 -2.043 -2.993 2.898 1.00 41.21 H new ATOM 0 HB THR A 81 -0.346 -3.688 1.143 1.00 53.23 H new ATOM 0 HG1 THR A 81 -1.044 -3.311 -1.066 1.00 14.31 H new ATOM 0 HG21 THR A 81 -1.867 -5.272 0.033 1.00 13.51 H new ATOM 0 HG22 THR A 81 -2.214 -5.135 1.773 1.00 13.51 H new ATOM 0 HG23 THR A 81 -3.263 -4.318 0.589 1.00 13.51 H new ATOM 1350 N ILE A 82 -0.642 -0.422 1.355 1.00 30.23 N ATOM 1351 CA ILE A 82 0.280 0.692 1.518 1.00 12.43 C ATOM 1352 C ILE A 82 -0.127 1.542 2.717 1.00 74.44 C ATOM 1353 O ILE A 82 0.717 1.983 3.499 1.00 32.11 O ATOM 1354 CB ILE A 82 0.310 1.582 0.252 1.00 12.21 C ATOM 1355 CG1 ILE A 82 0.610 0.733 -0.987 1.00 42.23 C ATOM 1356 CG2 ILE A 82 1.342 2.692 0.399 1.00 23.22 C ATOM 1357 CD1 ILE A 82 0.530 1.502 -2.291 1.00 62.11 C ATOM 0 H ILE A 82 -1.164 -0.407 0.479 1.00 30.23 H new ATOM 0 HA ILE A 82 1.275 0.278 1.680 1.00 12.43 H new ATOM 0 HB ILE A 82 -0.671 2.042 0.131 1.00 12.21 H new ATOM 0 HG12 ILE A 82 1.608 0.305 -0.889 1.00 42.23 H new ATOM 0 HG13 ILE A 82 -0.092 -0.100 -1.024 1.00 42.23 H new ATOM 0 HG21 ILE A 82 1.347 3.306 -0.502 1.00 23.22 H new ATOM 0 HG22 ILE A 82 1.090 3.312 1.259 1.00 23.22 H new ATOM 0 HG23 ILE A 82 2.329 2.254 0.545 1.00 23.22 H new ATOM 0 HD11 ILE A 82 0.755 0.833 -3.122 1.00 62.11 H new ATOM 0 HD12 ILE A 82 -0.474 1.908 -2.413 1.00 62.11 H new ATOM 0 HD13 ILE A 82 1.252 2.319 -2.277 1.00 62.11 H new ATOM 1369 N LYS A 83 -1.434 1.742 2.866 1.00 13.34 N ATOM 1370 CA LYS A 83 -1.976 2.557 3.945 1.00 3.24 C ATOM 1371 C LYS A 83 -1.580 2.007 5.307 1.00 32.32 C ATOM 1372 O LYS A 83 -1.348 2.772 6.231 1.00 43.31 O ATOM 1373 CB LYS A 83 -3.498 2.633 3.864 1.00 52.53 C ATOM 1374 CG LYS A 83 -4.093 3.738 4.723 1.00 45.30 C ATOM 1375 CD LYS A 83 -5.474 3.366 5.227 1.00 62.40 C ATOM 1376 CE LYS A 83 -6.208 4.566 5.804 1.00 15.32 C ATOM 1377 NZ LYS A 83 -5.425 5.255 6.864 1.00 1.35 N ATOM 0 H LYS A 83 -2.141 1.346 2.246 1.00 13.34 H new ATOM 0 HA LYS A 83 -1.557 3.557 3.828 1.00 3.24 H new ATOM 0 HB2 LYS A 83 -3.792 2.791 2.826 1.00 52.53 H new ATOM 0 HB3 LYS A 83 -3.919 1.676 4.172 1.00 52.53 H new ATOM 0 HG2 LYS A 83 -3.436 3.936 5.570 1.00 45.30 H new ATOM 0 HG3 LYS A 83 -4.152 4.659 4.144 1.00 45.30 H new ATOM 0 HD2 LYS A 83 -6.057 2.942 4.409 1.00 62.40 H new ATOM 0 HD3 LYS A 83 -5.386 2.593 5.990 1.00 62.40 H new ATOM 0 HE2 LYS A 83 -6.430 5.272 5.004 1.00 15.32 H new ATOM 0 HE3 LYS A 83 -7.163 4.240 6.216 1.00 15.32 H new ATOM 0 HZ1 LYS A 83 -6.076 5.690 7.549 1.00 1.35 H new ATOM 0 HZ2 LYS A 83 -4.819 4.565 7.352 1.00 1.35 H new ATOM 0 HZ3 LYS A 83 -4.832 5.993 6.433 1.00 1.35 H new ATOM 1391 N ILE A 84 -1.504 0.688 5.437 1.00 1.21 N ATOM 1392 CA ILE A 84 -1.121 0.079 6.708 1.00 21.04 C ATOM 1393 C ILE A 84 0.275 0.543 7.123 1.00 73.23 C ATOM 1394 O ILE A 84 0.523 0.837 8.293 1.00 72.12 O ATOM 1395 CB ILE A 84 -1.156 -1.465 6.640 1.00 21.04 C ATOM 1396 CG1 ILE A 84 -2.559 -1.950 6.262 1.00 2.13 C ATOM 1397 CG2 ILE A 84 -0.726 -2.072 7.969 1.00 43.34 C ATOM 1398 CD1 ILE A 84 -2.647 -3.447 6.050 1.00 54.52 C ATOM 0 H ILE A 84 -1.700 0.024 4.688 1.00 1.21 H new ATOM 0 HA ILE A 84 -1.849 0.401 7.453 1.00 21.04 H new ATOM 0 HB ILE A 84 -0.455 -1.790 5.871 1.00 21.04 H new ATOM 0 HG12 ILE A 84 -3.258 -1.661 7.047 1.00 2.13 H new ATOM 0 HG13 ILE A 84 -2.876 -1.443 5.351 1.00 2.13 H new ATOM 0 HG21 ILE A 84 -0.758 -3.159 7.900 1.00 43.34 H new ATOM 0 HG22 ILE A 84 0.290 -1.753 8.203 1.00 43.34 H new ATOM 0 HG23 ILE A 84 -1.402 -1.739 8.757 1.00 43.34 H new ATOM 0 HD11 ILE A 84 -3.669 -3.718 5.785 1.00 54.52 H new ATOM 0 HD12 ILE A 84 -1.974 -3.741 5.245 1.00 54.52 H new ATOM 0 HD13 ILE A 84 -2.361 -3.962 6.967 1.00 54.52 H new ATOM 1410 N TYR A 85 1.173 0.642 6.150 1.00 75.12 N ATOM 1411 CA TYR A 85 2.533 1.089 6.415 1.00 53.03 C ATOM 1412 C TYR A 85 2.548 2.589 6.697 1.00 41.44 C ATOM 1413 O TYR A 85 3.200 3.049 7.632 1.00 43.05 O ATOM 1414 CB TYR A 85 3.440 0.760 5.228 1.00 14.15 C ATOM 1415 CG TYR A 85 4.912 0.970 5.515 1.00 13.52 C ATOM 1416 CD1 TYR A 85 5.609 0.078 6.318 1.00 65.50 C ATOM 1417 CD2 TYR A 85 5.604 2.052 4.981 1.00 21.40 C ATOM 1418 CE1 TYR A 85 6.951 0.258 6.585 1.00 53.52 C ATOM 1419 CE2 TYR A 85 6.948 2.237 5.245 1.00 50.15 C ATOM 1420 CZ TYR A 85 7.616 1.336 6.045 1.00 22.43 C ATOM 1421 OH TYR A 85 8.953 1.515 6.310 1.00 54.33 O ATOM 0 H TYR A 85 0.984 0.419 5.173 1.00 75.12 H new ATOM 0 HA TYR A 85 2.910 0.566 7.294 1.00 53.03 H new ATOM 0 HB2 TYR A 85 3.280 -0.278 4.935 1.00 14.15 H new ATOM 0 HB3 TYR A 85 3.152 1.379 4.378 1.00 14.15 H new ATOM 0 HD1 TYR A 85 5.093 -0.771 6.741 1.00 65.50 H new ATOM 0 HD2 TYR A 85 5.083 2.758 4.351 1.00 21.40 H new ATOM 0 HE1 TYR A 85 7.477 -0.444 7.215 1.00 53.52 H new ATOM 0 HE2 TYR A 85 7.472 3.084 4.826 1.00 50.15 H new ATOM 0 HH TYR A 85 9.406 1.836 5.503 1.00 54.33 H new ATOM 1431 N VAL A 86 1.808 3.339 5.887 1.00 24.23 N ATOM 1432 CA VAL A 86 1.695 4.787 6.050 1.00 34.14 C ATOM 1433 C VAL A 86 1.058 5.139 7.393 1.00 23.30 C ATOM 1434 O VAL A 86 1.601 5.928 8.165 1.00 24.42 O ATOM 1435 CB VAL A 86 0.853 5.404 4.911 1.00 72.53 C ATOM 1436 CG1 VAL A 86 0.637 6.893 5.137 1.00 74.52 C ATOM 1437 CG2 VAL A 86 1.516 5.151 3.563 1.00 51.12 C ATOM 0 H VAL A 86 1.272 2.965 5.104 1.00 24.23 H new ATOM 0 HA VAL A 86 2.704 5.199 6.015 1.00 34.14 H new ATOM 0 HB VAL A 86 -0.125 4.922 4.910 1.00 72.53 H new ATOM 0 HG11 VAL A 86 0.042 7.302 4.321 1.00 74.52 H new ATOM 0 HG12 VAL A 86 0.113 7.046 6.081 1.00 74.52 H new ATOM 0 HG13 VAL A 86 1.602 7.399 5.172 1.00 74.52 H new ATOM 0 HG21 VAL A 86 0.910 5.592 2.771 1.00 51.12 H new ATOM 0 HG22 VAL A 86 2.508 5.602 3.555 1.00 51.12 H new ATOM 0 HG23 VAL A 86 1.605 4.077 3.397 1.00 51.12 H new ATOM 1447 N SER A 87 -0.087 4.532 7.662 1.00 22.32 N ATOM 1448 CA SER A 87 -0.821 4.743 8.900 1.00 51.24 C ATOM 1449 C SER A 87 0.037 4.406 10.125 1.00 30.43 C ATOM 1450 O SER A 87 -0.057 5.072 11.156 1.00 70.25 O ATOM 1451 CB SER A 87 -2.103 3.901 8.879 1.00 43.22 C ATOM 1452 OG SER A 87 -3.204 4.635 8.363 1.00 24.54 O ATOM 0 H SER A 87 -0.536 3.875 7.024 1.00 22.32 H new ATOM 0 HA SER A 87 -1.085 5.798 8.976 1.00 51.24 H new ATOM 0 HB2 SER A 87 -1.943 3.010 8.272 1.00 43.22 H new ATOM 0 HB3 SER A 87 -2.333 3.562 9.889 1.00 43.22 H new ATOM 0 HG SER A 87 -3.013 5.595 8.420 1.00 24.54 H new ATOM 1458 N ALA A 88 0.884 3.387 10.004 1.00 34.33 N ATOM 1459 CA ALA A 88 1.788 3.017 11.090 1.00 23.31 C ATOM 1460 C ALA A 88 2.926 4.025 11.220 1.00 33.24 C ATOM 1461 O ALA A 88 3.400 4.308 12.321 1.00 24.21 O ATOM 1462 CB ALA A 88 2.343 1.617 10.868 1.00 73.53 C ATOM 0 H ALA A 88 0.963 2.805 9.170 1.00 34.33 H new ATOM 0 HA ALA A 88 1.220 3.024 12.020 1.00 23.31 H new ATOM 0 HB1 ALA A 88 3.015 1.358 11.687 1.00 73.53 H new ATOM 0 HB2 ALA A 88 1.522 0.901 10.832 1.00 73.53 H new ATOM 0 HB3 ALA A 88 2.891 1.588 9.926 1.00 73.53 H new ATOM 1468 N ALA A 89 3.350 4.574 10.093 1.00 21.11 N ATOM 1469 CA ALA A 89 4.422 5.560 10.071 1.00 33.24 C ATOM 1470 C ALA A 89 3.990 6.855 10.733 1.00 12.41 C ATOM 1471 O ALA A 89 4.819 7.608 11.237 1.00 33.34 O ATOM 1472 CB ALA A 89 4.879 5.814 8.645 1.00 20.41 C ATOM 0 H ALA A 89 2.966 4.352 9.175 1.00 21.11 H new ATOM 0 HA ALA A 89 5.261 5.159 10.639 1.00 33.24 H new ATOM 0 HB1 ALA A 89 5.680 6.553 8.646 1.00 20.41 H new ATOM 0 HB2 ALA A 89 5.244 4.884 8.209 1.00 20.41 H new ATOM 0 HB3 ALA A 89 4.042 6.187 8.056 1.00 20.41 H new ATOM 1478 N ILE A 90 2.695 7.112 10.734 1.00 61.42 N ATOM 1479 CA ILE A 90 2.167 8.289 11.399 1.00 14.03 C ATOM 1480 C ILE A 90 2.267 8.120 12.911 1.00 33.02 C ATOM 1481 O ILE A 90 2.605 9.058 13.635 1.00 53.02 O ATOM 1482 CB ILE A 90 0.704 8.557 11.003 1.00 42.34 C ATOM 1483 CG1 ILE A 90 0.576 8.633 9.483 1.00 25.31 C ATOM 1484 CG2 ILE A 90 0.205 9.846 11.644 1.00 31.23 C ATOM 1485 CD1 ILE A 90 -0.853 8.649 9.003 1.00 50.34 C ATOM 0 H ILE A 90 1.992 6.525 10.284 1.00 61.42 H new ATOM 0 HA ILE A 90 2.763 9.145 11.083 1.00 14.03 H new ATOM 0 HB ILE A 90 0.089 7.733 11.365 1.00 42.34 H new ATOM 0 HG12 ILE A 90 1.081 9.531 9.128 1.00 25.31 H new ATOM 0 HG13 ILE A 90 1.091 7.781 9.039 1.00 25.31 H new ATOM 0 HG21 ILE A 90 -0.831 10.020 11.353 1.00 31.23 H new ATOM 0 HG22 ILE A 90 0.268 9.761 12.729 1.00 31.23 H new ATOM 0 HG23 ILE A 90 0.821 10.681 11.309 1.00 31.23 H new ATOM 0 HD11 ILE A 90 -0.871 8.704 7.915 1.00 50.34 H new ATOM 0 HD12 ILE A 90 -1.356 7.739 9.329 1.00 50.34 H new ATOM 0 HD13 ILE A 90 -1.367 9.516 9.418 1.00 50.34 H new ATOM 1497 N LYS A 91 1.992 6.908 13.375 1.00 21.12 N ATOM 1498 CA LYS A 91 2.110 6.580 14.789 1.00 63.10 C ATOM 1499 C LYS A 91 3.580 6.639 15.200 1.00 11.15 C ATOM 1500 O LYS A 91 3.925 7.107 16.287 1.00 4.54 O ATOM 1501 CB LYS A 91 1.525 5.182 15.049 1.00 32.42 C ATOM 1502 CG LYS A 91 0.984 4.975 16.459 1.00 14.03 C ATOM 1503 CD LYS A 91 2.088 4.945 17.502 1.00 31.04 C ATOM 1504 CE LYS A 91 1.521 4.936 18.910 1.00 44.53 C ATOM 1505 NZ LYS A 91 2.590 5.017 19.938 1.00 1.32 N ATOM 0 H LYS A 91 1.684 6.132 12.789 1.00 21.12 H new ATOM 0 HA LYS A 91 1.550 7.301 15.384 1.00 63.10 H new ATOM 0 HB2 LYS A 91 0.722 5.000 14.335 1.00 32.42 H new ATOM 0 HB3 LYS A 91 2.297 4.437 14.857 1.00 32.42 H new ATOM 0 HG2 LYS A 91 0.283 5.775 16.698 1.00 14.03 H new ATOM 0 HG3 LYS A 91 0.425 4.040 16.498 1.00 14.03 H new ATOM 0 HD2 LYS A 91 2.708 4.061 17.352 1.00 31.04 H new ATOM 0 HD3 LYS A 91 2.735 5.813 17.374 1.00 31.04 H new ATOM 0 HE2 LYS A 91 0.837 5.776 19.031 1.00 44.53 H new ATOM 0 HE3 LYS A 91 0.940 4.026 19.062 1.00 44.53 H new ATOM 0 HZ1 LYS A 91 2.162 5.008 20.886 1.00 1.32 H new ATOM 0 HZ2 LYS A 91 3.229 4.202 19.839 1.00 1.32 H new ATOM 0 HZ3 LYS A 91 3.129 5.897 19.810 1.00 1.32 H new ATOM 1519 N LYS A 92 4.444 6.184 14.301 1.00 62.45 N ATOM 1520 CA LYS A 92 5.878 6.180 14.543 1.00 3.41 C ATOM 1521 C LYS A 92 6.424 7.608 14.590 1.00 73.34 C ATOM 1522 O LYS A 92 7.367 7.901 15.325 1.00 10.43 O ATOM 1523 CB LYS A 92 6.593 5.383 13.447 1.00 34.42 C ATOM 1524 CG LYS A 92 7.999 4.951 13.830 1.00 50.40 C ATOM 1525 CD LYS A 92 7.964 3.893 14.919 1.00 13.51 C ATOM 1526 CE LYS A 92 9.354 3.559 15.428 1.00 30.44 C ATOM 1527 NZ LYS A 92 9.995 4.726 16.081 1.00 70.42 N ATOM 0 H LYS A 92 4.172 5.811 13.392 1.00 62.45 H new ATOM 0 HA LYS A 92 6.062 5.708 15.508 1.00 3.41 H new ATOM 0 HB2 LYS A 92 6.002 4.499 13.208 1.00 34.42 H new ATOM 0 HB3 LYS A 92 6.641 5.988 12.542 1.00 34.42 H new ATOM 0 HG2 LYS A 92 8.515 4.559 12.953 1.00 50.40 H new ATOM 0 HG3 LYS A 92 8.568 5.815 14.175 1.00 50.40 H new ATOM 0 HD2 LYS A 92 7.349 4.245 15.747 1.00 13.51 H new ATOM 0 HD3 LYS A 92 7.492 2.990 14.533 1.00 13.51 H new ATOM 0 HE2 LYS A 92 9.293 2.733 16.137 1.00 30.44 H new ATOM 0 HE3 LYS A 92 9.974 3.221 14.598 1.00 30.44 H new ATOM 0 HZ1 LYS A 92 10.797 4.403 16.660 1.00 70.42 H new ATOM 0 HZ2 LYS A 92 10.337 5.386 15.354 1.00 70.42 H new ATOM 0 HZ3 LYS A 92 9.302 5.208 16.688 1.00 70.42 H new ATOM 1541 N GLY A 93 5.820 8.493 13.810 1.00 65.15 N ATOM 1542 CA GLY A 93 6.264 9.874 13.767 1.00 43.52 C ATOM 1543 C GLY A 93 7.041 10.191 12.503 1.00 0.43 C ATOM 1544 O GLY A 93 7.859 11.108 12.478 1.00 41.22 O ATOM 0 H GLY A 93 5.028 8.280 13.204 1.00 65.15 H new ATOM 0 HA2 GLY A 93 5.399 10.534 13.834 1.00 43.52 H new ATOM 0 HA3 GLY A 93 6.889 10.079 14.636 1.00 43.52 H new ATOM 1548 N TYR A 94 6.783 9.423 11.454 1.00 2.52 N ATOM 1549 CA TYR A 94 7.453 9.609 10.174 1.00 21.43 C ATOM 1550 C TYR A 94 6.656 10.575 9.301 1.00 74.15 C ATOM 1551 O TYR A 94 7.212 11.498 8.706 1.00 4.32 O ATOM 1552 CB TYR A 94 7.613 8.254 9.477 1.00 2.32 C ATOM 1553 CG TYR A 94 8.268 8.316 8.115 1.00 11.33 C ATOM 1554 CD1 TYR A 94 9.594 8.703 7.974 1.00 23.34 C ATOM 1555 CD2 TYR A 94 7.560 7.970 6.971 1.00 34.43 C ATOM 1556 CE1 TYR A 94 10.194 8.748 6.728 1.00 34.21 C ATOM 1557 CE2 TYR A 94 8.151 8.010 5.724 1.00 11.15 C ATOM 1558 CZ TYR A 94 9.469 8.396 5.608 1.00 62.31 C ATOM 1559 OH TYR A 94 10.062 8.436 4.367 1.00 13.34 O ATOM 0 H TYR A 94 6.108 8.658 11.465 1.00 2.52 H new ATOM 0 HA TYR A 94 8.442 10.036 10.341 1.00 21.43 H new ATOM 0 HB2 TYR A 94 8.202 7.598 10.118 1.00 2.32 H new ATOM 0 HB3 TYR A 94 6.629 7.797 9.371 1.00 2.32 H new ATOM 0 HD1 TYR A 94 10.165 8.973 8.850 1.00 23.34 H new ATOM 0 HD2 TYR A 94 6.528 7.664 7.059 1.00 34.43 H new ATOM 0 HE1 TYR A 94 11.224 9.057 6.633 1.00 34.21 H new ATOM 0 HE2 TYR A 94 7.584 7.741 4.845 1.00 11.15 H new ATOM 0 HH TYR A 94 9.415 8.157 3.686 1.00 13.34 H new ATOM 1569 N MET A 95 5.349 10.362 9.237 1.00 14.40 N ATOM 1570 CA MET A 95 4.471 11.224 8.473 1.00 5.33 C ATOM 1571 C MET A 95 3.588 12.045 9.400 1.00 32.21 C ATOM 1572 O MET A 95 3.238 11.602 10.494 1.00 11.14 O ATOM 1573 CB MET A 95 3.624 10.392 7.518 1.00 3.32 C ATOM 1574 CG MET A 95 4.419 9.813 6.360 1.00 34.24 C ATOM 1575 SD MET A 95 3.397 8.901 5.188 1.00 71.21 S ATOM 1576 CE MET A 95 2.318 10.200 4.587 1.00 60.33 C ATOM 0 H MET A 95 4.875 9.593 9.710 1.00 14.40 H new ATOM 0 HA MET A 95 5.079 11.914 7.888 1.00 5.33 H new ATOM 0 HB2 MET A 95 3.157 9.578 8.072 1.00 3.32 H new ATOM 0 HB3 MET A 95 2.819 11.012 7.123 1.00 3.32 H new ATOM 0 HG2 MET A 95 4.928 10.622 5.836 1.00 34.24 H new ATOM 0 HG3 MET A 95 5.191 9.151 6.752 1.00 34.24 H new ATOM 0 HE1 MET A 95 1.817 9.865 3.679 1.00 60.33 H new ATOM 0 HE2 MET A 95 1.573 10.435 5.347 1.00 60.33 H new ATOM 0 HE3 MET A 95 2.907 11.091 4.369 1.00 60.33 H new ATOM 1586 N GLU A 96 3.237 13.244 8.951 1.00 64.12 N ATOM 1587 CA GLU A 96 2.456 14.175 9.759 1.00 51.22 C ATOM 1588 C GLU A 96 0.981 13.796 9.788 1.00 73.12 C ATOM 1589 O GLU A 96 0.304 13.982 10.799 1.00 21.41 O ATOM 1590 CB GLU A 96 2.594 15.591 9.206 1.00 52.01 C ATOM 1591 CG GLU A 96 4.006 16.147 9.278 1.00 52.43 C ATOM 1592 CD GLU A 96 4.108 17.534 8.681 1.00 63.22 C ATOM 1593 OE1 GLU A 96 4.242 17.642 7.447 1.00 72.54 O ATOM 1594 OE2 GLU A 96 4.044 18.523 9.440 1.00 5.33 O ATOM 0 H GLU A 96 3.482 13.597 8.026 1.00 64.12 H new ATOM 0 HA GLU A 96 2.845 14.129 10.776 1.00 51.22 H new ATOM 0 HB2 GLU A 96 2.264 15.598 8.167 1.00 52.01 H new ATOM 0 HB3 GLU A 96 1.925 16.252 9.757 1.00 52.01 H new ATOM 0 HG2 GLU A 96 4.330 16.177 10.318 1.00 52.43 H new ATOM 0 HG3 GLU A 96 4.685 15.476 8.752 1.00 52.43 H new ATOM 1601 N ASN A 97 0.487 13.279 8.674 1.00 23.33 N ATOM 1602 CA ASN A 97 -0.934 12.986 8.545 1.00 23.43 C ATOM 1603 C ASN A 97 -1.187 11.907 7.505 1.00 21.14 C ATOM 1604 O ASN A 97 -0.357 11.668 6.628 1.00 74.01 O ATOM 1605 CB ASN A 97 -1.715 14.250 8.167 1.00 12.23 C ATOM 1606 CG ASN A 97 -1.220 14.893 6.881 1.00 54.22 C ATOM 1607 OD1 ASN A 97 -0.329 15.747 6.906 1.00 30.02 O ATOM 1608 ND2 ASN A 97 -1.793 14.500 5.752 1.00 13.55 N ATOM 0 H ASN A 97 1.044 13.054 7.850 1.00 23.33 H new ATOM 0 HA ASN A 97 -1.279 12.623 9.513 1.00 23.43 H new ATOM 0 HB2 ASN A 97 -2.770 13.999 8.058 1.00 12.23 H new ATOM 0 HB3 ASN A 97 -1.641 14.973 8.980 1.00 12.23 H new ATOM 0 HD21 ASN A 97 -1.500 14.906 4.863 1.00 13.55 H new ATOM 0 HD22 ASN A 97 -2.526 13.791 5.772 1.00 13.55 H new ATOM 1615 N ASP A 98 -2.334 11.254 7.631 1.00 2.04 N ATOM 1616 CA ASP A 98 -2.784 10.273 6.648 1.00 24.41 C ATOM 1617 C ASP A 98 -3.161 10.957 5.345 1.00 3.30 C ATOM 1618 O ASP A 98 -3.704 12.064 5.355 1.00 52.14 O ATOM 1619 CB ASP A 98 -4.007 9.508 7.172 1.00 53.50 C ATOM 1620 CG ASP A 98 -3.873 7.998 7.066 1.00 20.52 C ATOM 1621 OD1 ASP A 98 -4.129 7.453 5.971 1.00 1.25 O ATOM 1622 OD2 ASP A 98 -3.550 7.345 8.082 1.00 52.34 O ATOM 0 H ASP A 98 -2.977 11.387 8.412 1.00 2.04 H new ATOM 0 HA ASP A 98 -1.963 9.578 6.473 1.00 24.41 H new ATOM 0 HB2 ASP A 98 -4.174 9.777 8.215 1.00 53.50 H new ATOM 0 HB3 ASP A 98 -4.889 9.826 6.616 1.00 53.50 H new ATOM 1627 N PRO A 99 -2.890 10.310 4.202 1.00 53.13 N ATOM 1628 CA PRO A 99 -3.367 10.782 2.903 1.00 3.02 C ATOM 1629 C PRO A 99 -4.887 10.724 2.840 1.00 4.31 C ATOM 1630 O PRO A 99 -5.525 11.501 2.139 1.00 15.12 O ATOM 1631 CB PRO A 99 -2.746 9.800 1.904 1.00 42.20 C ATOM 1632 CG PRO A 99 -2.440 8.582 2.707 1.00 21.23 C ATOM 1633 CD PRO A 99 -2.087 9.081 4.081 1.00 65.42 C ATOM 0 HA PRO A 99 -3.091 11.817 2.701 1.00 3.02 H new ATOM 0 HB2 PRO A 99 -3.435 9.574 1.090 1.00 42.20 H new ATOM 0 HB3 PRO A 99 -1.844 10.213 1.452 1.00 42.20 H new ATOM 0 HG2 PRO A 99 -3.298 7.910 2.742 1.00 21.23 H new ATOM 0 HG3 PRO A 99 -1.614 8.021 2.269 1.00 21.23 H new ATOM 0 HD2 PRO A 99 -2.342 8.354 4.852 1.00 65.42 H new ATOM 0 HD3 PRO A 99 -1.020 9.285 4.175 1.00 65.42 H new ATOM 1641 N PHE A 100 -5.450 9.800 3.617 1.00 42.25 N ATOM 1642 CA PHE A 100 -6.894 9.622 3.712 1.00 71.34 C ATOM 1643 C PHE A 100 -7.566 10.893 4.239 1.00 35.02 C ATOM 1644 O PHE A 100 -8.710 11.189 3.896 1.00 1.12 O ATOM 1645 CB PHE A 100 -7.190 8.432 4.633 1.00 53.40 C ATOM 1646 CG PHE A 100 -8.652 8.105 4.783 1.00 34.12 C ATOM 1647 CD1 PHE A 100 -9.315 7.368 3.814 1.00 50.41 C ATOM 1648 CD2 PHE A 100 -9.358 8.528 5.900 1.00 72.31 C ATOM 1649 CE1 PHE A 100 -10.656 7.063 3.956 1.00 33.40 C ATOM 1650 CE2 PHE A 100 -10.697 8.225 6.045 1.00 72.32 C ATOM 1651 CZ PHE A 100 -11.347 7.492 5.073 1.00 50.32 C ATOM 0 H PHE A 100 -4.915 9.154 4.198 1.00 42.25 H new ATOM 0 HA PHE A 100 -7.299 9.423 2.720 1.00 71.34 H new ATOM 0 HB2 PHE A 100 -6.672 7.554 4.248 1.00 53.40 H new ATOM 0 HB3 PHE A 100 -6.775 8.640 5.619 1.00 53.40 H new ATOM 0 HD1 PHE A 100 -8.779 7.029 2.940 1.00 50.41 H new ATOM 0 HD2 PHE A 100 -8.854 9.101 6.665 1.00 72.31 H new ATOM 0 HE1 PHE A 100 -11.163 6.490 3.194 1.00 33.40 H new ATOM 0 HE2 PHE A 100 -11.236 8.561 6.919 1.00 72.32 H new ATOM 0 HZ PHE A 100 -12.394 7.254 5.185 1.00 50.32 H new ATOM 1661 N LYS A 101 -6.838 11.644 5.058 1.00 71.11 N ATOM 1662 CA LYS A 101 -7.354 12.866 5.649 1.00 1.20 C ATOM 1663 C LYS A 101 -7.468 13.973 4.606 1.00 33.13 C ATOM 1664 O LYS A 101 -8.488 14.656 4.518 1.00 62.33 O ATOM 1665 CB LYS A 101 -6.434 13.309 6.789 1.00 31.01 C ATOM 1666 CG LYS A 101 -7.003 13.064 8.177 1.00 64.12 C ATOM 1667 CD LYS A 101 -7.194 11.582 8.459 1.00 23.35 C ATOM 1668 CE LYS A 101 -7.814 11.356 9.829 1.00 13.24 C ATOM 1669 NZ LYS A 101 -9.177 11.941 9.921 1.00 4.04 N ATOM 0 H LYS A 101 -5.880 11.422 5.328 1.00 71.11 H new ATOM 0 HA LYS A 101 -8.352 12.669 6.041 1.00 1.20 H new ATOM 0 HB2 LYS A 101 -5.484 12.783 6.700 1.00 31.01 H new ATOM 0 HB3 LYS A 101 -6.222 14.372 6.678 1.00 31.01 H new ATOM 0 HG2 LYS A 101 -6.335 13.492 8.924 1.00 64.12 H new ATOM 0 HG3 LYS A 101 -7.959 13.578 8.273 1.00 64.12 H new ATOM 0 HD2 LYS A 101 -7.832 11.143 7.692 1.00 23.35 H new ATOM 0 HD3 LYS A 101 -6.232 11.072 8.404 1.00 23.35 H new ATOM 0 HE2 LYS A 101 -7.863 10.287 10.034 1.00 13.24 H new ATOM 0 HE3 LYS A 101 -7.176 11.798 10.594 1.00 13.24 H new ATOM 0 HZ1 LYS A 101 -9.663 11.558 10.757 1.00 4.04 H new ATOM 0 HZ2 LYS A 101 -9.106 12.975 10.005 1.00 4.04 H new ATOM 0 HZ3 LYS A 101 -9.717 11.700 9.065 1.00 4.04 H new ATOM 1683 N ASP A 102 -6.424 14.122 3.802 1.00 11.33 N ATOM 1684 CA ASP A 102 -6.363 15.192 2.808 1.00 62.23 C ATOM 1685 C ASP A 102 -7.095 14.785 1.533 1.00 24.42 C ATOM 1686 O ASP A 102 -7.365 15.612 0.660 1.00 60.05 O ATOM 1687 CB ASP A 102 -4.899 15.536 2.505 1.00 63.32 C ATOM 1688 CG ASP A 102 -4.744 16.742 1.598 1.00 1.02 C ATOM 1689 OD1 ASP A 102 -5.214 17.837 1.973 1.00 4.44 O ATOM 1690 OD2 ASP A 102 -4.122 16.610 0.524 1.00 32.00 O ATOM 0 H ASP A 102 -5.604 13.515 3.817 1.00 11.33 H new ATOM 0 HA ASP A 102 -6.857 16.076 3.211 1.00 62.23 H new ATOM 0 HB2 ASP A 102 -4.375 15.725 3.442 1.00 63.32 H new ATOM 0 HB3 ASP A 102 -4.419 14.675 2.039 1.00 63.32 H new ATOM 1695 N PHE A 103 -7.439 13.504 1.454 1.00 11.12 N ATOM 1696 CA PHE A 103 -8.130 12.943 0.294 1.00 64.21 C ATOM 1697 C PHE A 103 -9.557 13.483 0.195 1.00 21.54 C ATOM 1698 O PHE A 103 -10.189 13.420 -0.859 1.00 25.50 O ATOM 1699 CB PHE A 103 -8.151 11.412 0.405 1.00 51.30 C ATOM 1700 CG PHE A 103 -8.543 10.699 -0.861 1.00 23.41 C ATOM 1701 CD1 PHE A 103 -7.585 10.353 -1.798 1.00 63.24 C ATOM 1702 CD2 PHE A 103 -9.866 10.363 -1.108 1.00 52.24 C ATOM 1703 CE1 PHE A 103 -7.936 9.690 -2.958 1.00 44.21 C ATOM 1704 CE2 PHE A 103 -10.223 9.700 -2.266 1.00 43.33 C ATOM 1705 CZ PHE A 103 -9.257 9.362 -3.192 1.00 32.15 C ATOM 0 H PHE A 103 -7.248 12.824 2.190 1.00 11.12 H new ATOM 0 HA PHE A 103 -7.595 13.237 -0.609 1.00 64.21 H new ATOM 0 HB2 PHE A 103 -7.162 11.069 0.709 1.00 51.30 H new ATOM 0 HB3 PHE A 103 -8.844 11.127 1.197 1.00 51.30 H new ATOM 0 HD1 PHE A 103 -6.550 10.605 -1.620 1.00 63.24 H new ATOM 0 HD2 PHE A 103 -10.626 10.623 -0.386 1.00 52.24 H new ATOM 0 HE1 PHE A 103 -7.178 9.428 -3.681 1.00 44.21 H new ATOM 0 HE2 PHE A 103 -11.257 9.446 -2.447 1.00 43.33 H new ATOM 0 HZ PHE A 103 -9.533 8.842 -4.097 1.00 32.15 H new