USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 758 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: T 4 HIS : no HE2:sc= -16.1! C(o=-17!,f=-29!) USER MOD Set 1.2: T 91 TYR OH : rot 150:sc= -0.496 USER MOD Single : T 1 GLY N :NH3+ -124:sc= 0 (180deg=-1.41!) USER MOD Single : T 3 TYR OH : rot 30:sc= 0 USER MOD Single : T 9 SER OG : rot 180:sc= -0.29 USER MOD Single : T 11 LYS NZ :NH3+ -174:sc= -0.0224 (180deg=-0.034) USER MOD Single : T 12 TYR OH : rot 180:sc= 0 USER MOD Single : T 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 15 THR OG1 : rot 180:sc= -0.175 USER MOD Single : T 16 TYR OH : rot 180:sc= 0 USER MOD Single : T 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 29 HIS : no HD1:sc= -1.04 K(o=-1,f=-2.5!) USER MOD Single : T 32 THR OG1 : rot 180:sc= -0.463 USER MOD Single : T 33 TYR OH : rot 180:sc= 0 USER MOD Single : T 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 35 GLN : amide:sc= -0.799 K(o=-0.8,f=-4.2!) USER MOD Single : T 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 45 HIS :FLIP no HD1:sc= -7.05! C(o=-8.7!,f=-7.1!) USER MOD Single : T 52 MET CE :methyl 148:sc= -2.5 (180deg=-4.85!) USER MOD Single : T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 59 TYR OH : rot 134:sc= 0.359 USER MOD Single : T 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 67 ASN :FLIP amide:sc= 0.0709 F(o=-1.2!,f=0.071) USER MOD Single : T 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 73 THR OG1 : rot 180:sc= 0 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.043) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD Single : T 94 ASN : amide:sc= -3.23! C(o=-3.2!,f=-12!) USER MOD Single : T 96 HIS : no HD1:sc= -0.061 X(o=-0.061,f=0) USER MOD Single : T 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY T 1 -12.494 3.165 6.807 1.00 0.00 N ATOM 2 CA GLY T 1 -11.113 3.464 7.280 1.00 0.00 C ATOM 3 C GLY T 1 -10.070 3.251 6.200 1.00 0.00 C ATOM 4 O GLY T 1 -10.228 3.721 5.074 1.00 0.00 O ATOM 0 H1 GLY T 1 -13.100 3.997 6.956 1.00 0.00 H new ATOM 0 H2 GLY T 1 -12.471 2.930 5.794 1.00 0.00 H new ATOM 0 H3 GLY T 1 -12.877 2.359 7.341 1.00 0.00 H new ATOM 0 HA2 GLY T 1 -11.067 4.496 7.627 1.00 0.00 H new ATOM 0 HA3 GLY T 1 -10.880 2.830 8.135 1.00 0.00 H new ATOM 10 N VAL T 2 -9.000 2.542 6.547 1.00 0.00 N ATOM 11 CA VAL T 2 -7.923 2.267 5.600 1.00 0.00 C ATOM 12 C VAL T 2 -8.288 1.125 4.664 1.00 0.00 C ATOM 13 O VAL T 2 -9.007 0.200 5.046 1.00 0.00 O ATOM 14 CB VAL T 2 -6.612 1.911 6.328 1.00 0.00 C ATOM 15 CG1 VAL T 2 -6.881 0.966 7.488 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.608 1.306 5.360 1.00 0.00 C ATOM 0 H VAL T 2 -8.855 2.147 7.476 1.00 0.00 H new ATOM 0 HA VAL T 2 -7.777 3.178 5.020 1.00 0.00 H new ATOM 0 HB VAL T 2 -6.185 2.829 6.731 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -5.942 0.727 7.988 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -7.559 1.443 8.196 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -7.335 0.049 7.112 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.690 1.062 5.894 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -6.025 0.399 4.922 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.388 2.023 4.569 1.00 0.00 H new ATOM 26 N TYR T 3 -7.781 1.186 3.437 1.00 0.00 N ATOM 27 CA TYR T 3 -8.053 0.140 2.454 1.00 0.00 C ATOM 28 C TYR T 3 -7.054 0.175 1.302 1.00 0.00 C ATOM 29 O TYR T 3 -6.223 1.079 1.208 1.00 0.00 O ATOM 30 CB TYR T 3 -9.477 0.260 1.909 1.00 0.00 C ATOM 31 CG TYR T 3 -9.803 1.619 1.332 1.00 0.00 C ATOM 32 CD1 TYR T 3 -10.143 2.683 2.157 1.00 0.00 C ATOM 33 CD2 TYR T 3 -9.771 1.835 -0.039 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.444 3.924 1.631 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.070 3.074 -0.573 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.406 4.115 0.267 1.00 0.00 C ATOM 37 OH TYR T 3 -10.704 5.350 -0.261 1.00 0.00 O ATOM 0 H TYR T 3 -7.184 1.941 3.100 1.00 0.00 H new ATOM 0 HA TYR T 3 -7.948 -0.816 2.967 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.624 -0.496 1.137 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.182 0.039 2.711 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -10.173 2.538 3.227 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.508 1.022 -0.699 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.708 4.741 2.286 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -10.041 3.226 -1.642 1.00 0.00 H new ATOM 0 HH TYR T 3 -10.456 6.048 0.380 1.00 0.00 H new ATOM 47 N HIS T 4 -7.145 -0.825 0.431 1.00 0.00 N ATOM 48 CA HIS T 4 -6.254 -0.931 -0.721 1.00 0.00 C ATOM 49 C HIS T 4 -6.870 -0.280 -1.952 1.00 0.00 C ATOM 50 O HIS T 4 -8.092 -0.239 -2.103 1.00 0.00 O ATOM 51 CB HIS T 4 -5.939 -2.401 -1.013 1.00 0.00 C ATOM 52 CG HIS T 4 -4.771 -2.600 -1.932 1.00 0.00 C ATOM 53 ND1 HIS T 4 -3.654 -3.328 -1.585 1.00 0.00 N ATOM 54 CD2 HIS T 4 -4.553 -2.168 -3.194 1.00 0.00 C ATOM 55 CE1 HIS T 4 -2.801 -3.335 -2.594 1.00 0.00 C ATOM 56 NE2 HIS T 4 -3.323 -2.638 -3.583 1.00 0.00 N ATOM 0 H HIS T 4 -7.830 -1.577 0.501 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.330 -0.406 -0.481 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -5.740 -2.914 -0.072 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -6.819 -2.871 -1.452 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -3.508 -3.790 -0.688 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -5.223 -1.564 -3.787 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -1.840 -3.828 -2.606 1.00 0.00 H new ATOM 65 N ARG T 5 -6.015 0.230 -2.831 1.00 0.00 N ATOM 66 CA ARG T 5 -6.467 0.880 -4.053 1.00 0.00 C ATOM 67 C ARG T 5 -5.418 0.762 -5.153 1.00 0.00 C ATOM 68 O ARG T 5 -4.227 0.614 -4.876 1.00 0.00 O ATOM 69 CB ARG T 5 -6.770 2.354 -3.781 1.00 0.00 C ATOM 70 CG ARG T 5 -7.435 3.068 -4.945 1.00 0.00 C ATOM 71 CD ARG T 5 -8.946 3.092 -4.795 1.00 0.00 C ATOM 72 NE ARG T 5 -9.397 4.197 -3.953 1.00 0.00 N ATOM 73 CZ ARG T 5 -9.782 5.377 -4.430 1.00 0.00 C ATOM 74 NH1 ARG T 5 -9.774 5.601 -5.737 1.00 0.00 N ATOM 75 NH2 ARG T 5 -10.178 6.332 -3.600 1.00 0.00 N ATOM 0 H ARG T 5 -5.002 0.205 -2.718 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.376 0.380 -4.389 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -7.415 2.427 -2.906 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -5.840 2.867 -3.535 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -7.059 4.089 -5.009 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -7.169 2.571 -5.878 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -9.406 3.176 -5.779 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -9.282 2.149 -4.365 1.00 0.00 H new ATOM 0 HE ARG T 5 -9.418 4.056 -2.943 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -9.472 4.867 -6.378 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -10.070 6.507 -6.101 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -10.188 6.162 -2.594 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -10.473 7.237 -3.967 1.00 0.00 H new ATOM 89 N GLU T 6 -5.866 0.829 -6.403 1.00 0.00 N ATOM 90 CA GLU T 6 -4.963 0.733 -7.543 1.00 0.00 C ATOM 91 C GLU T 6 -4.961 2.029 -8.345 1.00 0.00 C ATOM 92 O GLU T 6 -5.498 3.046 -7.904 1.00 0.00 O ATOM 93 CB GLU T 6 -5.362 -0.436 -8.447 1.00 0.00 C ATOM 94 CG GLU T 6 -6.600 -0.163 -9.285 1.00 0.00 C ATOM 95 CD GLU T 6 -7.864 -0.087 -8.450 1.00 0.00 C ATOM 96 OE1 GLU T 6 -8.153 -1.061 -7.722 1.00 0.00 O ATOM 97 OE2 GLU T 6 -8.563 0.945 -8.522 1.00 0.00 O ATOM 0 H GLU T 6 -6.848 0.949 -6.651 1.00 0.00 H new ATOM 0 HA GLU T 6 -3.957 0.559 -7.160 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -4.530 -0.672 -9.110 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -5.538 -1.317 -7.830 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -6.469 0.774 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -6.709 -0.949 -10.032 1.00 0.00 H new ATOM 104 N ALA T 7 -4.354 1.984 -9.524 1.00 0.00 N ATOM 105 CA ALA T 7 -4.278 3.153 -10.391 1.00 0.00 C ATOM 106 C ALA T 7 -5.466 3.208 -11.345 1.00 0.00 C ATOM 107 O ALA T 7 -6.037 2.177 -11.701 1.00 0.00 O ATOM 108 CB ALA T 7 -2.973 3.149 -11.172 1.00 0.00 C ATOM 0 H ALA T 7 -3.906 1.149 -9.902 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.309 4.042 -9.761 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -2.931 4.028 -11.815 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.133 3.167 -10.477 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -2.918 2.249 -11.784 1.00 0.00 H new ATOM 114 N ARG T 8 -5.831 4.417 -11.757 1.00 0.00 N ATOM 115 CA ARG T 8 -6.950 4.608 -12.672 1.00 0.00 C ATOM 116 C ARG T 8 -6.785 3.740 -13.915 1.00 0.00 C ATOM 117 O ARG T 8 -7.762 3.399 -14.581 1.00 0.00 O ATOM 118 CB ARG T 8 -7.063 6.079 -13.075 1.00 0.00 C ATOM 119 CG ARG T 8 -7.466 6.997 -11.932 1.00 0.00 C ATOM 120 CD ARG T 8 -8.970 7.216 -11.890 1.00 0.00 C ATOM 121 NE ARG T 8 -9.563 6.691 -10.664 1.00 0.00 N ATOM 122 CZ ARG T 8 -9.440 7.278 -9.477 1.00 0.00 C ATOM 123 NH1 ARG T 8 -8.747 8.403 -9.358 1.00 0.00 N ATOM 124 NH2 ARG T 8 -10.010 6.740 -8.407 1.00 0.00 N ATOM 0 H ARG T 8 -5.368 5.280 -11.472 1.00 0.00 H new ATOM 0 HA ARG T 8 -7.864 4.310 -12.158 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.105 6.411 -13.476 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -7.794 6.171 -13.878 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -7.134 6.568 -10.986 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -6.961 7.957 -12.041 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -9.184 8.282 -11.969 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -9.431 6.734 -12.752 1.00 0.00 H new ATOM 0 HE ARG T 8 -10.101 5.826 -10.721 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -8.307 8.820 -10.178 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -8.654 8.851 -8.446 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -10.543 5.875 -8.494 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -9.915 7.191 -7.497 1.00 0.00 H new ATOM 138 N SER T 9 -5.540 3.386 -14.219 1.00 0.00 N ATOM 139 CA SER T 9 -5.243 2.557 -15.380 1.00 0.00 C ATOM 140 C SER T 9 -5.190 1.084 -14.997 1.00 0.00 C ATOM 141 O SER T 9 -5.786 0.236 -15.662 1.00 0.00 O ATOM 142 CB SER T 9 -3.915 2.980 -16.011 1.00 0.00 C ATOM 143 OG SER T 9 -3.775 2.444 -17.315 1.00 0.00 O ATOM 0 H SER T 9 -4.721 3.661 -13.677 1.00 0.00 H new ATOM 0 HA SER T 9 -6.043 2.696 -16.107 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.860 4.068 -16.054 1.00 0.00 H new ATOM 0 HB3 SER T 9 -3.088 2.643 -15.386 1.00 0.00 H new ATOM 0 HG SER T 9 -2.919 2.731 -17.696 1.00 0.00 H new ATOM 149 N GLY T 10 -4.471 0.786 -13.922 1.00 0.00 N ATOM 150 CA GLY T 10 -4.349 -0.582 -13.468 1.00 0.00 C ATOM 151 C GLY T 10 -3.386 -0.722 -12.305 1.00 0.00 C ATOM 152 O GLY T 10 -2.778 0.256 -11.872 1.00 0.00 O ATOM 0 H GLY T 10 -3.970 1.471 -13.356 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -5.330 -0.952 -13.170 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -4.010 -1.207 -14.294 1.00 0.00 H new ATOM 156 N LYS T 11 -3.249 -1.944 -11.801 1.00 0.00 N ATOM 157 CA LYS T 11 -2.353 -2.216 -10.682 1.00 0.00 C ATOM 158 C LYS T 11 -0.900 -1.979 -11.080 1.00 0.00 C ATOM 159 O LYS T 11 -0.514 -2.204 -12.227 1.00 0.00 O ATOM 160 CB LYS T 11 -2.535 -3.656 -10.198 1.00 0.00 C ATOM 161 CG LYS T 11 -1.497 -4.089 -9.175 1.00 0.00 C ATOM 162 CD LYS T 11 -0.872 -5.424 -9.549 1.00 0.00 C ATOM 163 CE LYS T 11 -0.650 -6.299 -8.327 1.00 0.00 C ATOM 164 NZ LYS T 11 -1.862 -7.091 -7.980 1.00 0.00 N ATOM 0 H LYS T 11 -3.747 -2.763 -12.150 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.604 -1.533 -9.871 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.529 -3.761 -9.762 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.490 -4.327 -11.056 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.719 -3.329 -9.100 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -1.963 -4.166 -8.192 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -1.518 -5.943 -10.257 1.00 0.00 H new ATOM 0 HD3 LYS T 11 0.079 -5.253 -10.052 1.00 0.00 H new ATOM 0 HE2 LYS T 11 0.184 -6.976 -8.512 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -0.371 -5.673 -7.479 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -1.702 -7.595 -7.085 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -2.676 -6.452 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 -2.055 -7.779 -8.735 1.00 0.00 H new ATOM 178 N TYR T 12 -0.098 -1.522 -10.122 1.00 0.00 N ATOM 179 CA TYR T 12 1.315 -1.255 -10.367 1.00 0.00 C ATOM 180 C TYR T 12 1.492 -0.141 -11.392 1.00 0.00 C ATOM 181 O TYR T 12 2.065 -0.349 -12.462 1.00 0.00 O ATOM 182 CB TYR T 12 2.023 -2.523 -10.841 1.00 0.00 C ATOM 183 CG TYR T 12 2.311 -3.506 -9.729 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.742 -3.347 -8.471 1.00 0.00 C ATOM 185 CD2 TYR T 12 3.151 -4.593 -9.936 1.00 0.00 C ATOM 186 CE1 TYR T 12 2.003 -4.240 -7.453 1.00 0.00 C ATOM 187 CE2 TYR T 12 3.417 -5.492 -8.922 1.00 0.00 C ATOM 188 CZ TYR T 12 2.840 -5.311 -7.682 1.00 0.00 C ATOM 189 OH TYR T 12 3.103 -6.204 -6.669 1.00 0.00 O ATOM 0 H TYR T 12 -0.404 -1.329 -9.168 1.00 0.00 H new ATOM 0 HA TYR T 12 1.763 -0.930 -9.428 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.408 -3.012 -11.597 1.00 0.00 H new ATOM 0 HB3 TYR T 12 2.961 -2.247 -11.323 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.084 -2.510 -8.288 1.00 0.00 H new ATOM 0 HD2 TYR T 12 3.603 -4.737 -10.906 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.554 -4.101 -6.481 1.00 0.00 H new ATOM 0 HE2 TYR T 12 4.073 -6.332 -9.099 1.00 0.00 H new ATOM 0 HH TYR T 12 3.710 -6.900 -6.996 1.00 0.00 H new ATOM 199 N LYS T 13 0.999 1.044 -11.052 1.00 0.00 N ATOM 200 CA LYS T 13 1.100 2.202 -11.933 1.00 0.00 C ATOM 201 C LYS T 13 1.021 3.493 -11.128 1.00 0.00 C ATOM 202 O LYS T 13 0.962 4.587 -11.689 1.00 0.00 O ATOM 203 CB LYS T 13 -0.013 2.171 -12.982 1.00 0.00 C ATOM 204 CG LYS T 13 0.311 1.314 -14.193 1.00 0.00 C ATOM 205 CD LYS T 13 -0.427 1.795 -15.432 1.00 0.00 C ATOM 206 CE LYS T 13 -1.104 0.644 -16.160 1.00 0.00 C ATOM 207 NZ LYS T 13 -0.310 0.184 -17.332 1.00 0.00 N ATOM 0 H LYS T 13 0.523 1.229 -10.169 1.00 0.00 H new ATOM 0 HA LYS T 13 2.064 2.164 -12.440 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -0.926 1.798 -12.518 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.216 3.189 -13.313 1.00 0.00 H new ATOM 0 HG2 LYS T 13 1.385 1.335 -14.377 1.00 0.00 H new ATOM 0 HG3 LYS T 13 0.043 0.278 -13.988 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -1.174 2.536 -15.147 1.00 0.00 H new ATOM 0 HD3 LYS T 13 0.273 2.290 -16.104 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -1.248 -0.188 -15.470 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -2.094 0.957 -16.492 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -0.806 -0.601 -17.801 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 -0.194 0.970 -18.003 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 0.626 -0.139 -17.012 1.00 0.00 H new ATOM 221 N LEU T 14 1.014 3.354 -9.805 1.00 0.00 N ATOM 222 CA LEU T 14 0.936 4.504 -8.913 1.00 0.00 C ATOM 223 C LEU T 14 2.258 4.734 -8.195 1.00 0.00 C ATOM 224 O LEU T 14 2.908 3.791 -7.743 1.00 0.00 O ATOM 225 CB LEU T 14 -0.178 4.294 -7.889 1.00 0.00 C ATOM 226 CG LEU T 14 -1.565 4.760 -8.332 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.644 3.973 -7.607 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.730 6.251 -8.087 1.00 0.00 C ATOM 0 H LEU T 14 1.062 2.454 -9.328 1.00 0.00 H new ATOM 0 HA LEU T 14 0.717 5.385 -9.516 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.230 3.233 -7.644 1.00 0.00 H new ATOM 0 HB3 LEU T 14 0.089 4.820 -6.972 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.667 4.578 -9.402 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.626 4.316 -7.933 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.536 2.913 -7.835 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.545 4.125 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.723 6.565 -8.408 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.609 6.461 -7.024 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -0.976 6.798 -8.653 1.00 0.00 H new ATOM 240 N THR T 15 2.641 5.998 -8.085 1.00 0.00 N ATOM 241 CA THR T 15 3.877 6.370 -7.414 1.00 0.00 C ATOM 242 C THR T 15 3.570 7.023 -6.073 1.00 0.00 C ATOM 243 O THR T 15 2.545 7.682 -5.923 1.00 0.00 O ATOM 244 CB THR T 15 4.713 7.340 -8.269 1.00 0.00 C ATOM 245 OG1 THR T 15 4.261 8.685 -8.069 1.00 0.00 O ATOM 246 CG2 THR T 15 4.616 6.983 -9.745 1.00 0.00 C ATOM 0 H THR T 15 2.110 6.787 -8.454 1.00 0.00 H new ATOM 0 HA THR T 15 4.454 5.458 -7.260 1.00 0.00 H new ATOM 0 HB THR T 15 5.754 7.256 -7.958 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.799 9.296 -8.615 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.215 7.682 -10.329 1.00 0.00 H new ATOM 0 HG22 THR T 15 4.988 5.970 -9.900 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.576 7.041 -10.066 1.00 0.00 H new ATOM 254 N TYR T 16 4.452 6.833 -5.100 1.00 0.00 N ATOM 255 CA TYR T 16 4.253 7.409 -3.774 1.00 0.00 C ATOM 256 C TYR T 16 3.575 8.773 -3.870 1.00 0.00 C ATOM 257 O TYR T 16 2.711 9.106 -3.059 1.00 0.00 O ATOM 258 CB TYR T 16 5.586 7.542 -3.040 1.00 0.00 C ATOM 259 CG TYR T 16 5.476 8.264 -1.717 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.937 7.633 -0.602 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.910 9.576 -1.585 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.834 8.293 0.609 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.811 10.242 -0.378 1.00 0.00 C ATOM 264 CZ TYR T 16 5.272 9.596 0.716 1.00 0.00 C ATOM 265 OH TYR T 16 5.172 10.256 1.919 1.00 0.00 O ATOM 0 H TYR T 16 5.308 6.288 -5.202 1.00 0.00 H new ATOM 0 HA TYR T 16 3.605 6.737 -3.211 1.00 0.00 H new ATOM 0 HB2 TYR T 16 5.998 6.548 -2.869 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.292 8.074 -3.678 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.594 6.612 -0.682 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.332 10.085 -2.439 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.412 7.790 1.467 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.154 11.263 -0.291 1.00 0.00 H new ATOM 0 HH TYR T 16 5.526 11.165 1.824 1.00 0.00 H new ATOM 275 N ALA T 17 3.974 9.555 -4.867 1.00 0.00 N ATOM 276 CA ALA T 17 3.408 10.883 -5.070 1.00 0.00 C ATOM 277 C ALA T 17 1.995 10.804 -5.641 1.00 0.00 C ATOM 278 O ALA T 17 1.106 11.542 -5.216 1.00 0.00 O ATOM 279 CB ALA T 17 4.306 11.703 -5.984 1.00 0.00 C ATOM 0 H ALA T 17 4.687 9.292 -5.547 1.00 0.00 H new ATOM 0 HA ALA T 17 3.347 11.375 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.872 12.693 -6.128 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.293 11.801 -5.532 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.397 11.203 -6.948 1.00 0.00 H new ATOM 285 N GLU T 18 1.785 9.903 -6.600 1.00 0.00 N ATOM 286 CA GLU T 18 0.476 9.735 -7.210 1.00 0.00 C ATOM 287 C GLU T 18 -0.481 9.081 -6.225 1.00 0.00 C ATOM 288 O GLU T 18 -1.616 9.523 -6.049 1.00 0.00 O ATOM 289 CB GLU T 18 0.593 8.881 -8.471 1.00 0.00 C ATOM 290 CG GLU T 18 1.445 9.518 -9.557 1.00 0.00 C ATOM 291 CD GLU T 18 1.576 8.640 -10.786 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.705 7.408 -10.623 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.548 9.183 -11.910 1.00 0.00 O ATOM 0 H GLU T 18 2.506 9.282 -6.967 1.00 0.00 H new ATOM 0 HA GLU T 18 0.085 10.716 -7.481 1.00 0.00 H new ATOM 0 HB2 GLU T 18 1.019 7.913 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.405 8.693 -8.867 1.00 0.00 H new ATOM 0 HG2 GLU T 18 1.007 10.474 -9.843 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.437 9.729 -9.158 1.00 0.00 H new ATOM 300 N ALA T 19 -0.001 8.025 -5.579 1.00 0.00 N ATOM 301 CA ALA T 19 -0.788 7.297 -4.598 1.00 0.00 C ATOM 302 C ALA T 19 -1.256 8.222 -3.480 1.00 0.00 C ATOM 303 O ALA T 19 -2.369 8.088 -2.971 1.00 0.00 O ATOM 304 CB ALA T 19 0.036 6.154 -4.029 1.00 0.00 C ATOM 0 H ALA T 19 0.938 7.653 -5.721 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.672 6.892 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.556 5.609 -3.294 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.326 5.478 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.931 6.553 -3.551 1.00 0.00 H new ATOM 310 N LYS T 20 -0.393 9.161 -3.103 1.00 0.00 N ATOM 311 CA LYS T 20 -0.704 10.113 -2.045 1.00 0.00 C ATOM 312 C LYS T 20 -1.671 11.183 -2.539 1.00 0.00 C ATOM 313 O LYS T 20 -2.488 11.694 -1.775 1.00 0.00 O ATOM 314 CB LYS T 20 0.580 10.769 -1.538 1.00 0.00 C ATOM 315 CG LYS T 20 0.457 11.351 -0.139 1.00 0.00 C ATOM 316 CD LYS T 20 1.544 12.377 0.137 1.00 0.00 C ATOM 317 CE LYS T 20 1.022 13.533 0.974 1.00 0.00 C ATOM 318 NZ LYS T 20 1.876 13.789 2.166 1.00 0.00 N ATOM 0 H LYS T 20 0.531 9.282 -3.518 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.180 9.570 -1.229 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.382 10.031 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.869 11.562 -2.228 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.522 11.817 -0.023 1.00 0.00 H new ATOM 0 HG3 LYS T 20 0.518 10.549 0.596 1.00 0.00 H new ATOM 0 HD2 LYS T 20 2.375 11.898 0.655 1.00 0.00 H new ATOM 0 HD3 LYS T 20 1.934 12.757 -0.807 1.00 0.00 H new ATOM 0 HE2 LYS T 20 0.976 14.433 0.361 1.00 0.00 H new ATOM 0 HE3 LYS T 20 0.004 13.316 1.297 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 1.485 14.585 2.709 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 1.899 12.939 2.765 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 2.842 14.022 1.858 1.00 0.00 H new ATOM 332 N ALA T 21 -1.568 11.522 -3.819 1.00 0.00 N ATOM 333 CA ALA T 21 -2.430 12.538 -4.413 1.00 0.00 C ATOM 334 C ALA T 21 -3.879 12.069 -4.476 1.00 0.00 C ATOM 335 O ALA T 21 -4.798 12.812 -4.134 1.00 0.00 O ATOM 336 CB ALA T 21 -1.934 12.907 -5.802 1.00 0.00 C ATOM 0 H ALA T 21 -0.896 11.108 -4.466 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.391 13.422 -3.777 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -2.588 13.666 -6.232 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -0.919 13.298 -5.734 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -1.939 12.021 -6.437 1.00 0.00 H new ATOM 342 N VAL T 22 -4.076 10.835 -4.921 1.00 0.00 N ATOM 343 CA VAL T 22 -5.413 10.266 -5.038 1.00 0.00 C ATOM 344 C VAL T 22 -6.054 10.072 -3.669 1.00 0.00 C ATOM 345 O VAL T 22 -7.190 10.488 -3.440 1.00 0.00 O ATOM 346 CB VAL T 22 -5.384 8.915 -5.779 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.579 8.060 -5.383 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.349 9.132 -7.284 1.00 0.00 C ATOM 0 H VAL T 22 -3.325 10.207 -5.208 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.009 10.975 -5.613 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.477 8.384 -5.490 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.540 7.111 -5.917 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.553 7.874 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.501 8.582 -5.639 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.329 8.167 -7.790 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.236 9.685 -7.593 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.457 9.700 -7.549 1.00 0.00 H new ATOM 358 N CYS T 23 -5.323 9.436 -2.766 1.00 0.00 N ATOM 359 CA CYS T 23 -5.821 9.185 -1.422 1.00 0.00 C ATOM 360 C CYS T 23 -6.043 10.493 -0.671 1.00 0.00 C ATOM 361 O CYS T 23 -7.075 10.682 -0.028 1.00 0.00 O ATOM 362 CB CYS T 23 -4.843 8.295 -0.657 1.00 0.00 C ATOM 363 SG CYS T 23 -4.888 6.545 -1.162 1.00 0.00 S ATOM 0 H CYS T 23 -4.382 9.084 -2.940 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.779 8.672 -1.502 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -3.832 8.678 -0.798 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -5.064 8.361 0.408 1.00 0.00 H new ATOM 368 N GLU T 24 -5.073 11.397 -0.764 1.00 0.00 N ATOM 369 CA GLU T 24 -5.170 12.691 -0.099 1.00 0.00 C ATOM 370 C GLU T 24 -6.070 13.635 -0.888 1.00 0.00 C ATOM 371 O GLU T 24 -6.387 14.735 -0.433 1.00 0.00 O ATOM 372 CB GLU T 24 -3.782 13.311 0.070 1.00 0.00 C ATOM 373 CG GLU T 24 -3.733 14.433 1.094 1.00 0.00 C ATOM 374 CD GLU T 24 -2.349 14.632 1.678 1.00 0.00 C ATOM 375 OE1 GLU T 24 -1.964 13.850 2.573 1.00 0.00 O ATOM 376 OE2 GLU T 24 -1.649 15.569 1.240 1.00 0.00 O ATOM 0 H GLU T 24 -4.212 11.257 -1.293 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.608 12.534 0.887 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.079 12.532 0.365 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.446 13.695 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -4.062 15.361 0.626 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.435 14.215 1.899 1.00 0.00 H new ATOM 383 N PHE T 25 -6.479 13.194 -2.074 1.00 0.00 N ATOM 384 CA PHE T 25 -7.345 13.994 -2.932 1.00 0.00 C ATOM 385 C PHE T 25 -8.653 14.324 -2.225 1.00 0.00 C ATOM 386 O PHE T 25 -9.071 15.482 -2.174 1.00 0.00 O ATOM 387 CB PHE T 25 -7.635 13.245 -4.234 1.00 0.00 C ATOM 388 CG PHE T 25 -7.582 14.118 -5.456 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.368 14.557 -5.957 1.00 0.00 C ATOM 390 CD2 PHE T 25 -8.747 14.498 -6.102 1.00 0.00 C ATOM 391 CE1 PHE T 25 -6.316 15.358 -7.081 1.00 0.00 C ATOM 392 CE2 PHE T 25 -8.702 15.298 -7.227 1.00 0.00 C ATOM 393 CZ PHE T 25 -7.485 15.729 -7.717 1.00 0.00 C ATOM 0 H PHE T 25 -6.224 12.286 -2.462 1.00 0.00 H new ATOM 0 HA PHE T 25 -6.829 14.927 -3.161 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -6.914 12.435 -4.345 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.622 12.787 -4.168 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.451 14.270 -5.463 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -9.701 14.165 -5.722 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -5.363 15.694 -7.462 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -9.617 15.586 -7.723 1.00 0.00 H new ATOM 0 HZ PHE T 25 -7.447 16.355 -8.596 1.00 0.00 H new ATOM 403 N GLU T 26 -9.296 13.297 -1.686 1.00 0.00 N ATOM 404 CA GLU T 26 -10.562 13.467 -0.984 1.00 0.00 C ATOM 405 C GLU T 26 -10.352 13.521 0.525 1.00 0.00 C ATOM 406 O GLU T 26 -10.904 12.712 1.271 1.00 0.00 O ATOM 407 CB GLU T 26 -11.519 12.334 -1.345 1.00 0.00 C ATOM 408 CG GLU T 26 -11.637 12.105 -2.840 1.00 0.00 C ATOM 409 CD GLU T 26 -12.602 10.988 -3.187 1.00 0.00 C ATOM 410 OE1 GLU T 26 -13.746 11.015 -2.685 1.00 0.00 O ATOM 411 OE2 GLU T 26 -12.213 10.087 -3.960 1.00 0.00 O ATOM 0 H GLU T 26 -8.961 12.334 -1.721 1.00 0.00 H new ATOM 0 HA GLU T 26 -10.999 14.415 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.179 11.414 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.506 12.557 -0.939 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -11.967 13.027 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.653 11.869 -3.246 1.00 0.00 H new ATOM 418 N GLY T 27 -9.555 14.488 0.960 1.00 0.00 N ATOM 419 CA GLY T 27 -9.280 14.654 2.376 1.00 0.00 C ATOM 420 C GLY T 27 -8.889 13.351 3.047 1.00 0.00 C ATOM 421 O GLY T 27 -9.208 13.128 4.214 1.00 0.00 O ATOM 0 H GLY T 27 -9.091 15.165 0.354 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.478 15.380 2.505 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -10.162 15.063 2.869 1.00 0.00 H new ATOM 425 N GLY T 28 -8.193 12.492 2.311 1.00 0.00 N ATOM 426 CA GLY T 28 -7.765 11.220 2.862 1.00 0.00 C ATOM 427 C GLY T 28 -6.256 11.148 2.989 1.00 0.00 C ATOM 428 O GLY T 28 -5.565 12.144 2.776 1.00 0.00 O ATOM 0 H GLY T 28 -7.917 12.654 1.342 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.221 11.075 3.841 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -8.116 10.409 2.224 1.00 0.00 H new ATOM 432 N HIS T 29 -5.741 9.973 3.336 1.00 0.00 N ATOM 433 CA HIS T 29 -4.304 9.788 3.487 1.00 0.00 C ATOM 434 C HIS T 29 -3.918 8.348 3.183 1.00 0.00 C ATOM 435 O HIS T 29 -4.566 7.413 3.653 1.00 0.00 O ATOM 436 CB HIS T 29 -3.858 10.160 4.903 1.00 0.00 C ATOM 437 CG HIS T 29 -4.980 10.618 5.784 1.00 0.00 C ATOM 438 ND1 HIS T 29 -5.508 11.890 5.731 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.677 9.962 6.743 1.00 0.00 C ATOM 440 CE1 HIS T 29 -6.481 11.998 6.619 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.604 10.842 7.246 1.00 0.00 N ATOM 0 H HIS T 29 -6.297 9.137 3.517 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.801 10.445 2.778 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.376 9.297 5.362 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.108 10.949 4.843 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -5.531 8.938 7.054 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -7.075 12.882 6.801 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -7.278 10.636 7.984 1.00 0.00 H new ATOM 450 N LEU T 30 -2.862 8.169 2.398 1.00 0.00 N ATOM 451 CA LEU T 30 -2.410 6.832 2.048 1.00 0.00 C ATOM 452 C LEU T 30 -1.874 6.115 3.280 1.00 0.00 C ATOM 453 O LEU T 30 -0.989 6.616 3.974 1.00 0.00 O ATOM 454 CB LEU T 30 -1.358 6.887 0.938 1.00 0.00 C ATOM 455 CG LEU T 30 0.052 6.454 1.339 1.00 0.00 C ATOM 456 CD1 LEU T 30 0.291 5.008 0.940 1.00 0.00 C ATOM 457 CD2 LEU T 30 1.092 7.365 0.701 1.00 0.00 C ATOM 0 H LEU T 30 -2.309 8.926 1.996 1.00 0.00 H new ATOM 0 HA LEU T 30 -3.261 6.266 1.669 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -1.692 6.255 0.115 1.00 0.00 H new ATOM 0 HB3 LEU T 30 -1.311 7.907 0.558 1.00 0.00 H new ATOM 0 HG LEU T 30 0.146 6.535 2.422 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.299 4.712 1.231 1.00 0.00 H new ATOM 0 HD12 LEU T 30 -0.434 4.367 1.442 1.00 0.00 H new ATOM 0 HD13 LEU T 30 0.180 4.905 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU T 30 2.090 7.042 0.998 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.002 7.316 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU T 30 0.930 8.391 1.032 1.00 0.00 H new ATOM 469 N ALA T 31 -2.441 4.946 3.554 1.00 0.00 N ATOM 470 CA ALA T 31 -2.051 4.154 4.712 1.00 0.00 C ATOM 471 C ALA T 31 -0.544 3.928 4.760 1.00 0.00 C ATOM 472 O ALA T 31 0.161 4.147 3.776 1.00 0.00 O ATOM 473 CB ALA T 31 -2.785 2.822 4.706 1.00 0.00 C ATOM 0 H ALA T 31 -3.176 4.525 2.986 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.328 4.713 5.606 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.486 2.238 5.576 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -3.860 2.999 4.740 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.536 2.273 3.798 1.00 0.00 H new ATOM 479 N THR T 32 -0.059 3.489 5.917 1.00 0.00 N ATOM 480 CA THR T 32 1.364 3.230 6.105 1.00 0.00 C ATOM 481 C THR T 32 1.621 1.754 6.370 1.00 0.00 C ATOM 482 O THR T 32 0.803 0.898 6.037 1.00 0.00 O ATOM 483 CB THR T 32 1.931 4.042 7.283 1.00 0.00 C ATOM 484 OG1 THR T 32 1.536 3.444 8.525 1.00 0.00 O ATOM 485 CG2 THR T 32 1.445 5.481 7.232 1.00 0.00 C ATOM 0 H THR T 32 -0.632 3.305 6.740 1.00 0.00 H new ATOM 0 HA THR T 32 1.862 3.531 5.183 1.00 0.00 H new ATOM 0 HB THR T 32 3.018 4.039 7.207 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.902 3.965 9.270 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.859 6.035 8.075 1.00 0.00 H new ATOM 0 HG22 THR T 32 1.770 5.942 6.300 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.356 5.500 7.285 1.00 0.00 H new ATOM 493 N TYR T 33 2.761 1.467 6.988 1.00 0.00 N ATOM 494 CA TYR T 33 3.127 0.095 7.318 1.00 0.00 C ATOM 495 C TYR T 33 2.411 -0.343 8.585 1.00 0.00 C ATOM 496 O TYR T 33 1.488 -1.156 8.547 1.00 0.00 O ATOM 497 CB TYR T 33 4.638 -0.023 7.514 1.00 0.00 C ATOM 498 CG TYR T 33 5.080 -1.307 8.182 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.931 -2.533 7.545 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.646 -1.291 9.451 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.333 -3.707 8.154 1.00 0.00 C ATOM 502 CE2 TYR T 33 6.051 -2.461 10.065 1.00 0.00 C ATOM 503 CZ TYR T 33 5.892 -3.665 9.414 1.00 0.00 C ATOM 504 OH TYR T 33 6.295 -4.832 10.022 1.00 0.00 O ATOM 0 H TYR T 33 3.448 2.166 7.271 1.00 0.00 H new ATOM 0 HA TYR T 33 2.828 -0.551 6.493 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.126 0.054 6.542 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.982 0.821 8.112 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.494 -2.569 6.558 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.771 -0.350 9.965 1.00 0.00 H new ATOM 0 HE1 TYR T 33 5.210 -4.652 7.646 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.490 -2.432 11.051 1.00 0.00 H new ATOM 0 HH TYR T 33 6.669 -4.629 10.905 1.00 0.00 H new ATOM 514 N LYS T 34 2.847 0.213 9.707 1.00 0.00 N ATOM 515 CA LYS T 34 2.255 -0.101 10.999 1.00 0.00 C ATOM 516 C LYS T 34 0.734 -0.037 10.927 1.00 0.00 C ATOM 517 O LYS T 34 0.040 -0.844 11.545 1.00 0.00 O ATOM 518 CB LYS T 34 2.769 0.863 12.070 1.00 0.00 C ATOM 519 CG LYS T 34 4.219 0.640 12.465 1.00 0.00 C ATOM 520 CD LYS T 34 4.523 1.231 13.833 1.00 0.00 C ATOM 521 CE LYS T 34 5.978 1.025 14.220 1.00 0.00 C ATOM 522 NZ LYS T 34 6.582 2.261 14.788 1.00 0.00 N ATOM 0 H LYS T 34 3.612 0.887 9.748 1.00 0.00 H new ATOM 0 HA LYS T 34 2.547 -1.116 11.268 1.00 0.00 H new ATOM 0 HB2 LYS T 34 2.656 1.885 11.708 1.00 0.00 H new ATOM 0 HB3 LYS T 34 2.144 0.769 12.958 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.434 -0.428 12.473 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.874 1.091 11.719 1.00 0.00 H new ATOM 0 HD2 LYS T 34 4.294 2.297 13.829 1.00 0.00 H new ATOM 0 HD3 LYS T 34 3.878 0.770 14.581 1.00 0.00 H new ATOM 0 HE2 LYS T 34 6.049 0.218 14.949 1.00 0.00 H new ATOM 0 HE3 LYS T 34 6.546 0.713 13.344 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 7.575 2.079 15.039 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 6.538 3.024 14.083 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 6.056 2.545 15.639 1.00 0.00 H new ATOM 536 N GLN T 35 0.220 0.922 10.162 1.00 0.00 N ATOM 537 CA GLN T 35 -1.217 1.078 10.006 1.00 0.00 C ATOM 538 C GLN T 35 -1.797 -0.109 9.251 1.00 0.00 C ATOM 539 O GLN T 35 -2.707 -0.783 9.735 1.00 0.00 O ATOM 540 CB GLN T 35 -1.528 2.378 9.267 1.00 0.00 C ATOM 541 CG GLN T 35 -1.107 3.625 10.026 1.00 0.00 C ATOM 542 CD GLN T 35 -1.370 4.899 9.249 1.00 0.00 C ATOM 543 OE1 GLN T 35 -1.701 4.859 8.064 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.219 6.040 9.913 1.00 0.00 N ATOM 0 H GLN T 35 0.778 1.600 9.643 1.00 0.00 H new ATOM 0 HA GLN T 35 -1.674 1.119 10.995 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.026 2.365 8.299 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.599 2.427 9.070 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -1.642 3.666 10.975 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.045 3.561 10.262 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -0.943 6.026 10.895 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -1.379 6.930 9.441 1.00 0.00 H new ATOM 553 N LEU T 36 -1.252 -0.373 8.068 1.00 0.00 N ATOM 554 CA LEU T 36 -1.708 -1.495 7.261 1.00 0.00 C ATOM 555 C LEU T 36 -1.584 -2.786 8.058 1.00 0.00 C ATOM 556 O LEU T 36 -2.251 -3.778 7.768 1.00 0.00 O ATOM 557 CB LEU T 36 -0.898 -1.593 5.967 1.00 0.00 C ATOM 558 CG LEU T 36 -1.724 -1.770 4.691 1.00 0.00 C ATOM 559 CD1 LEU T 36 -2.354 -3.153 4.652 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.791 -0.691 4.593 1.00 0.00 C ATOM 0 H LEU T 36 -0.498 0.172 7.650 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.754 -1.335 6.998 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.294 -0.692 5.867 1.00 0.00 H new ATOM 0 HB3 LEU T 36 -0.207 -2.432 6.053 1.00 0.00 H new ATOM 0 HG LEU T 36 -1.059 -1.673 3.833 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -2.938 -3.261 3.738 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -1.571 -3.910 4.674 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -3.006 -3.280 5.516 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -3.369 -0.832 3.680 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.454 -0.756 5.456 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -2.316 0.290 4.574 1.00 0.00 H new ATOM 572 N GLU T 37 -0.730 -2.753 9.078 1.00 0.00 N ATOM 573 CA GLU T 37 -0.517 -3.905 9.939 1.00 0.00 C ATOM 574 C GLU T 37 -1.747 -4.157 10.795 1.00 0.00 C ATOM 575 O GLU T 37 -2.384 -5.207 10.701 1.00 0.00 O ATOM 576 CB GLU T 37 0.700 -3.679 10.835 1.00 0.00 C ATOM 577 CG GLU T 37 1.080 -4.900 11.655 1.00 0.00 C ATOM 578 CD GLU T 37 2.036 -5.822 10.923 1.00 0.00 C ATOM 579 OE1 GLU T 37 1.744 -6.178 9.762 1.00 0.00 O ATOM 580 OE2 GLU T 37 3.077 -6.186 11.510 1.00 0.00 O ATOM 0 H GLU T 37 -0.174 -1.935 9.326 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.337 -4.778 9.311 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.549 -3.388 10.216 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.496 -2.847 11.509 1.00 0.00 H new ATOM 0 HG2 GLU T 37 1.538 -4.577 12.590 1.00 0.00 H new ATOM 0 HG3 GLU T 37 0.177 -5.452 11.916 1.00 0.00 H new ATOM 587 N ALA T 38 -2.075 -3.180 11.631 1.00 0.00 N ATOM 588 CA ALA T 38 -3.231 -3.281 12.508 1.00 0.00 C ATOM 589 C ALA T 38 -4.495 -3.565 11.706 1.00 0.00 C ATOM 590 O ALA T 38 -5.488 -4.052 12.244 1.00 0.00 O ATOM 591 CB ALA T 38 -3.392 -2.010 13.327 1.00 0.00 C ATOM 0 H ALA T 38 -1.554 -2.307 11.719 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.068 -4.114 13.192 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.262 -2.104 13.977 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.500 -1.853 13.934 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.529 -1.161 12.658 1.00 0.00 H new ATOM 597 N ALA T 39 -4.442 -3.271 10.412 1.00 0.00 N ATOM 598 CA ALA T 39 -5.571 -3.510 9.524 1.00 0.00 C ATOM 599 C ALA T 39 -5.453 -4.893 8.911 1.00 0.00 C ATOM 600 O ALA T 39 -6.447 -5.542 8.595 1.00 0.00 O ATOM 601 CB ALA T 39 -5.623 -2.450 8.436 1.00 0.00 C ATOM 0 H ALA T 39 -3.626 -2.865 9.954 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.495 -3.454 10.099 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.472 -2.643 7.781 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.732 -1.466 8.892 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.702 -2.480 7.854 1.00 0.00 H new ATOM 607 N ARG T 40 -4.215 -5.339 8.766 1.00 0.00 N ATOM 608 CA ARG T 40 -3.926 -6.645 8.212 1.00 0.00 C ATOM 609 C ARG T 40 -4.334 -7.728 9.195 1.00 0.00 C ATOM 610 O ARG T 40 -4.773 -8.810 8.804 1.00 0.00 O ATOM 611 CB ARG T 40 -2.433 -6.748 7.918 1.00 0.00 C ATOM 612 CG ARG T 40 -1.954 -8.169 7.668 1.00 0.00 C ATOM 613 CD ARG T 40 -0.608 -8.431 8.325 1.00 0.00 C ATOM 614 NE ARG T 40 -0.389 -9.850 8.586 1.00 0.00 N ATOM 615 CZ ARG T 40 0.427 -10.308 9.530 1.00 0.00 C ATOM 616 NH1 ARG T 40 1.096 -9.459 10.298 1.00 0.00 N ATOM 617 NH2 ARG T 40 0.576 -11.614 9.706 1.00 0.00 N ATOM 0 H ARG T 40 -3.387 -4.805 9.029 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.489 -6.779 7.288 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.201 -6.137 7.045 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -1.877 -6.329 8.757 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -2.690 -8.875 8.053 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -1.876 -8.343 6.595 1.00 0.00 H new ATOM 0 HD2 ARG T 40 0.188 -8.055 7.682 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -0.549 -7.878 9.262 1.00 0.00 H new ATOM 0 HE ARG T 40 -0.890 -10.528 8.012 1.00 0.00 H new ATOM 0 HH11 ARG T 40 0.985 -8.454 10.165 1.00 0.00 H new ATOM 0 HH12 ARG T 40 1.722 -9.811 11.022 1.00 0.00 H new ATOM 0 HH21 ARG T 40 0.064 -12.270 9.116 1.00 0.00 H new ATOM 0 HH22 ARG T 40 1.203 -11.963 10.431 1.00 0.00 H new ATOM 631 N LYS T 41 -4.180 -7.427 10.479 1.00 0.00 N ATOM 632 CA LYS T 41 -4.526 -8.372 11.526 1.00 0.00 C ATOM 633 C LYS T 41 -6.038 -8.497 11.679 1.00 0.00 C ATOM 634 O LYS T 41 -6.533 -9.456 12.269 1.00 0.00 O ATOM 635 CB LYS T 41 -3.899 -7.950 12.855 1.00 0.00 C ATOM 636 CG LYS T 41 -2.470 -7.449 12.718 1.00 0.00 C ATOM 637 CD LYS T 41 -1.722 -7.530 14.038 1.00 0.00 C ATOM 638 CE LYS T 41 -2.037 -6.340 14.930 1.00 0.00 C ATOM 639 NZ LYS T 41 -1.207 -6.338 16.166 1.00 0.00 N ATOM 0 H LYS T 41 -3.818 -6.535 10.817 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.130 -9.346 11.239 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -4.509 -7.166 13.303 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -3.915 -8.797 13.541 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -1.947 -8.039 11.966 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.477 -6.418 12.366 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -1.989 -8.453 14.553 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -0.649 -7.570 13.848 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -1.867 -5.416 14.377 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -3.092 -6.359 15.201 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -1.452 -5.511 16.747 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -1.388 -7.207 16.707 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -0.200 -6.294 15.908 1.00 0.00 H new ATOM 653 N ILE T 42 -6.766 -7.523 11.144 1.00 0.00 N ATOM 654 CA ILE T 42 -8.220 -7.530 11.223 1.00 0.00 C ATOM 655 C ILE T 42 -8.825 -8.288 10.048 1.00 0.00 C ATOM 656 O ILE T 42 -10.034 -8.520 10.001 1.00 0.00 O ATOM 657 CB ILE T 42 -8.786 -6.099 11.252 1.00 0.00 C ATOM 658 CG1 ILE T 42 -8.688 -5.458 9.868 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.044 -5.261 12.282 1.00 0.00 C ATOM 660 CD1 ILE T 42 -9.954 -4.749 9.436 1.00 0.00 C ATOM 0 H ILE T 42 -6.373 -6.721 10.652 1.00 0.00 H new ATOM 0 HA ILE T 42 -8.489 -8.033 12.152 1.00 0.00 H new ATOM 0 HB ILE T 42 -9.838 -6.145 11.535 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -7.863 -4.745 9.865 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.446 -6.229 9.136 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -8.454 -4.251 12.293 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.160 -5.710 13.268 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -6.986 -5.220 12.024 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -9.810 -4.319 8.445 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -10.778 -5.462 9.406 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.187 -3.955 10.146 1.00 0.00 H new ATOM 672 N GLY T 43 -7.977 -8.677 9.101 1.00 0.00 N ATOM 673 CA GLY T 43 -8.447 -9.410 7.941 1.00 0.00 C ATOM 674 C GLY T 43 -8.097 -8.713 6.641 1.00 0.00 C ATOM 675 O GLY T 43 -8.514 -9.147 5.568 1.00 0.00 O ATOM 0 H GLY T 43 -6.973 -8.497 9.117 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.011 -10.409 7.944 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.528 -9.533 8.005 1.00 0.00 H new ATOM 679 N PHE T 44 -7.328 -7.632 6.732 1.00 0.00 N ATOM 680 CA PHE T 44 -6.929 -6.884 5.543 1.00 0.00 C ATOM 681 C PHE T 44 -5.829 -7.619 4.783 1.00 0.00 C ATOM 682 O PHE T 44 -4.733 -7.826 5.304 1.00 0.00 O ATOM 683 CB PHE T 44 -6.451 -5.483 5.927 1.00 0.00 C ATOM 684 CG PHE T 44 -6.436 -4.510 4.782 1.00 0.00 C ATOM 685 CD1 PHE T 44 -6.958 -4.862 3.547 1.00 0.00 C ATOM 686 CD2 PHE T 44 -5.898 -3.243 4.942 1.00 0.00 C ATOM 687 CE1 PHE T 44 -6.945 -3.968 2.494 1.00 0.00 C ATOM 688 CE2 PHE T 44 -5.883 -2.346 3.892 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.406 -2.709 2.666 1.00 0.00 C ATOM 0 H PHE T 44 -6.970 -7.256 7.610 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.800 -6.795 4.893 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -7.096 -5.093 6.714 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.446 -5.554 6.344 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -7.380 -5.846 3.406 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.486 -2.954 5.898 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -7.356 -4.254 1.537 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.462 -1.361 4.029 1.00 0.00 H new ATOM 0 HZ PHE T 44 -6.393 -2.009 1.844 1.00 0.00 H new ATOM 699 N HIS T 45 -6.130 -8.012 3.549 1.00 0.00 N ATOM 700 CA HIS T 45 -5.169 -8.728 2.717 1.00 0.00 C ATOM 701 C HIS T 45 -5.236 -8.251 1.269 1.00 0.00 C ATOM 702 O HIS T 45 -6.300 -8.259 0.650 1.00 0.00 O ATOM 703 CB HIS T 45 -5.434 -10.234 2.782 1.00 0.00 C ATOM 704 CG HIS T 45 -4.460 -11.064 2.003 1.00 0.00 C ATOM 705 ND1 HIS T 45 -3.693 -10.761 0.928 1.00 0.00 N flip ATOM 706 CD2 HIS T 45 -4.190 -12.383 2.303 1.00 0.00 C flip ATOM 707 CE1 HIS T 45 -2.983 -11.890 0.603 1.00 0.00 C flip ATOM 708 NE2 HIS T 45 -3.300 -12.854 1.446 1.00 0.00 N flip ATOM 0 H HIS T 45 -7.032 -7.847 3.103 1.00 0.00 H new ATOM 0 HA HIS T 45 -4.170 -8.522 3.101 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.411 -10.551 3.825 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.440 -10.431 2.411 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -4.636 -12.943 3.111 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.279 -11.975 -0.211 1.00 0.00 H new ATOM 0 HE2 HIS T 45 -2.923 -13.802 1.438 1.00 0.00 H new ATOM 717 N VAL T 46 -4.089 -7.845 0.732 1.00 0.00 N ATOM 718 CA VAL T 46 -4.012 -7.377 -0.647 1.00 0.00 C ATOM 719 C VAL T 46 -2.615 -7.597 -1.221 1.00 0.00 C ATOM 720 O VAL T 46 -1.688 -6.841 -0.929 1.00 0.00 O ATOM 721 CB VAL T 46 -4.376 -5.883 -0.770 1.00 0.00 C ATOM 722 CG1 VAL T 46 -5.643 -5.711 -1.592 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.536 -5.238 0.599 1.00 0.00 C ATOM 0 H VAL T 46 -3.200 -7.831 1.232 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.738 -7.960 -1.214 1.00 0.00 H new ATOM 0 HB VAL T 46 -3.556 -5.379 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -5.886 -4.651 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -5.488 -6.121 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -6.465 -6.237 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.792 -4.186 0.478 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.330 -5.744 1.149 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.601 -5.322 1.152 1.00 0.00 H new ATOM 733 N CYS T 47 -2.471 -8.641 -2.033 1.00 0.00 N ATOM 734 CA CYS T 47 -1.185 -8.965 -2.643 1.00 0.00 C ATOM 735 C CYS T 47 -0.820 -7.963 -3.734 1.00 0.00 C ATOM 736 O CYS T 47 -1.085 -8.188 -4.914 1.00 0.00 O ATOM 737 CB CYS T 47 -1.212 -10.381 -3.222 1.00 0.00 C ATOM 738 SG CYS T 47 -2.851 -10.915 -3.811 1.00 0.00 S ATOM 0 H CYS T 47 -3.228 -9.277 -2.284 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.425 -8.911 -1.864 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -0.505 -10.437 -4.050 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -0.867 -11.080 -2.460 1.00 0.00 H new ATOM 743 N ALA T 48 -0.202 -6.859 -3.326 1.00 0.00 N ATOM 744 CA ALA T 48 0.212 -5.818 -4.262 1.00 0.00 C ATOM 745 C ALA T 48 0.951 -4.701 -3.536 1.00 0.00 C ATOM 746 O ALA T 48 0.376 -4.006 -2.699 1.00 0.00 O ATOM 747 CB ALA T 48 -0.992 -5.259 -5.008 1.00 0.00 C ATOM 0 H ALA T 48 0.024 -6.661 -2.351 1.00 0.00 H new ATOM 0 HA ALA T 48 0.892 -6.265 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.663 -4.484 -5.701 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.480 -6.060 -5.564 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.696 -4.832 -4.294 1.00 0.00 H new ATOM 753 N ALA T 49 2.231 -4.536 -3.860 1.00 0.00 N ATOM 754 CA ALA T 49 3.051 -3.503 -3.237 1.00 0.00 C ATOM 755 C ALA T 49 2.259 -2.216 -3.043 1.00 0.00 C ATOM 756 O ALA T 49 1.957 -1.511 -4.004 1.00 0.00 O ATOM 757 CB ALA T 49 4.293 -3.240 -4.074 1.00 0.00 C ATOM 0 H ALA T 49 2.722 -5.105 -4.550 1.00 0.00 H new ATOM 0 HA ALA T 49 3.358 -3.861 -2.254 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.896 -2.467 -3.597 1.00 0.00 H new ATOM 0 HB2 ALA T 49 4.877 -4.157 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA T 49 3.997 -2.908 -5.069 1.00 0.00 H new ATOM 763 N GLY T 50 1.923 -1.916 -1.794 1.00 0.00 N ATOM 764 CA GLY T 50 1.168 -0.714 -1.499 1.00 0.00 C ATOM 765 C GLY T 50 2.006 0.350 -0.821 1.00 0.00 C ATOM 766 O GLY T 50 2.588 0.112 0.237 1.00 0.00 O ATOM 0 H GLY T 50 2.160 -2.484 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.757 -0.312 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.323 -0.968 -0.859 1.00 0.00 H new ATOM 770 N TRP T 51 2.069 1.524 -1.436 1.00 0.00 N ATOM 771 CA TRP T 51 2.844 2.633 -0.894 1.00 0.00 C ATOM 772 C TRP T 51 2.474 2.921 0.556 1.00 0.00 C ATOM 773 O TRP T 51 1.511 2.368 1.088 1.00 0.00 O ATOM 774 CB TRP T 51 2.628 3.884 -1.742 1.00 0.00 C ATOM 775 CG TRP T 51 3.461 3.901 -2.984 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.029 3.710 -4.263 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.873 4.115 -3.060 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.091 3.793 -5.135 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.234 4.041 -4.418 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.866 4.364 -2.109 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.548 4.209 -4.848 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.169 4.529 -2.536 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.501 4.450 -3.895 1.00 0.00 C ATOM 0 H TRP T 51 1.591 1.733 -2.313 1.00 0.00 H new ATOM 0 HA TRP T 51 3.896 2.349 -0.922 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.575 3.952 -2.017 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.859 4.766 -1.144 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.005 3.521 -4.550 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.037 3.687 -6.148 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.619 4.426 -1.059 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.806 4.151 -5.895 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.945 4.722 -1.810 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.530 4.582 -4.197 1.00 0.00 H new ATOM 794 N MET T 52 3.249 3.798 1.186 1.00 0.00 N ATOM 795 CA MET T 52 3.017 4.180 2.574 1.00 0.00 C ATOM 796 C MET T 52 3.830 5.421 2.930 1.00 0.00 C ATOM 797 O MET T 52 4.780 5.772 2.229 1.00 0.00 O ATOM 798 CB MET T 52 3.369 3.027 3.520 1.00 0.00 C ATOM 799 CG MET T 52 4.341 2.020 2.931 1.00 0.00 C ATOM 800 SD MET T 52 3.784 0.315 3.129 1.00 0.00 S ATOM 801 CE MET T 52 5.169 -0.391 4.018 1.00 0.00 C ATOM 0 H MET T 52 4.049 4.260 0.753 1.00 0.00 H new ATOM 0 HA MET T 52 1.958 4.411 2.690 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.797 3.438 4.434 1.00 0.00 H new ATOM 0 HB3 MET T 52 2.452 2.509 3.802 1.00 0.00 H new ATOM 0 HG2 MET T 52 4.479 2.232 1.871 1.00 0.00 H new ATOM 0 HG3 MET T 52 5.314 2.138 3.409 1.00 0.00 H new ATOM 0 HE1 MET T 52 4.811 -1.175 4.686 1.00 0.00 H new ATOM 0 HE2 MET T 52 5.879 -0.815 3.308 1.00 0.00 H new ATOM 0 HE3 MET T 52 5.661 0.387 4.602 1.00 0.00 H new ATOM 811 N ALA T 53 3.447 6.085 4.016 1.00 0.00 N ATOM 812 CA ALA T 53 4.136 7.293 4.461 1.00 0.00 C ATOM 813 C ALA T 53 5.652 7.123 4.421 1.00 0.00 C ATOM 814 O ALA T 53 6.162 6.003 4.416 1.00 0.00 O ATOM 815 CB ALA T 53 3.684 7.669 5.864 1.00 0.00 C ATOM 0 H ALA T 53 2.662 5.807 4.605 1.00 0.00 H new ATOM 0 HA ALA T 53 3.875 8.097 3.773 1.00 0.00 H new ATOM 0 HB1 ALA T 53 4.205 8.571 6.185 1.00 0.00 H new ATOM 0 HB2 ALA T 53 2.609 7.851 5.863 1.00 0.00 H new ATOM 0 HB3 ALA T 53 3.913 6.854 6.551 1.00 0.00 H new ATOM 821 N LYS T 54 6.364 8.250 4.399 1.00 0.00 N ATOM 822 CA LYS T 54 7.825 8.245 4.365 1.00 0.00 C ATOM 823 C LYS T 54 8.349 7.912 2.971 1.00 0.00 C ATOM 824 O LYS T 54 9.467 8.282 2.615 1.00 0.00 O ATOM 825 CB LYS T 54 8.381 7.247 5.384 1.00 0.00 C ATOM 826 CG LYS T 54 8.655 7.853 6.750 1.00 0.00 C ATOM 827 CD LYS T 54 7.883 7.140 7.848 1.00 0.00 C ATOM 828 CE LYS T 54 6.716 7.980 8.341 1.00 0.00 C ATOM 829 NZ LYS T 54 6.599 7.956 9.825 1.00 0.00 N ATOM 0 H LYS T 54 5.949 9.182 4.404 1.00 0.00 H new ATOM 0 HA LYS T 54 8.164 9.248 4.625 1.00 0.00 H new ATOM 0 HB2 LYS T 54 7.674 6.425 5.497 1.00 0.00 H new ATOM 0 HB3 LYS T 54 9.305 6.821 4.994 1.00 0.00 H new ATOM 0 HG2 LYS T 54 9.723 7.801 6.963 1.00 0.00 H new ATOM 0 HG3 LYS T 54 8.383 8.908 6.741 1.00 0.00 H new ATOM 0 HD2 LYS T 54 7.514 6.185 7.474 1.00 0.00 H new ATOM 0 HD3 LYS T 54 8.551 6.919 8.680 1.00 0.00 H new ATOM 0 HE2 LYS T 54 6.842 9.009 8.004 1.00 0.00 H new ATOM 0 HE3 LYS T 54 5.791 7.611 7.898 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 5.791 8.541 10.119 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 6.453 6.978 10.146 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 7.471 8.333 10.248 1.00 0.00 H new ATOM 843 N GLY T 55 7.539 7.209 2.186 1.00 0.00 N ATOM 844 CA GLY T 55 7.948 6.838 0.845 1.00 0.00 C ATOM 845 C GLY T 55 8.217 5.352 0.738 1.00 0.00 C ATOM 846 O GLY T 55 8.951 4.906 -0.144 1.00 0.00 O ATOM 0 H GLY T 55 6.608 6.890 2.455 1.00 0.00 H new ATOM 0 HA2 GLY T 55 7.170 7.120 0.135 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.846 7.392 0.571 1.00 0.00 H new ATOM 850 N ARG T 56 7.622 4.584 1.644 1.00 0.00 N ATOM 851 CA ARG T 56 7.797 3.137 1.657 1.00 0.00 C ATOM 852 C ARG T 56 6.669 2.446 0.902 1.00 0.00 C ATOM 853 O ARG T 56 5.642 3.055 0.604 1.00 0.00 O ATOM 854 CB ARG T 56 7.849 2.621 3.095 1.00 0.00 C ATOM 855 CG ARG T 56 9.182 2.866 3.783 1.00 0.00 C ATOM 856 CD ARG T 56 9.099 2.578 5.274 1.00 0.00 C ATOM 857 NE ARG T 56 7.833 3.024 5.849 1.00 0.00 N ATOM 858 CZ ARG T 56 7.490 2.825 7.117 1.00 0.00 C ATOM 859 NH1 ARG T 56 8.316 2.189 7.938 1.00 0.00 N ATOM 860 NH2 ARG T 56 6.322 3.262 7.568 1.00 0.00 N ATOM 0 H ARG T 56 7.013 4.941 2.380 1.00 0.00 H new ATOM 0 HA ARG T 56 8.739 2.907 1.160 1.00 0.00 H new ATOM 0 HB2 ARG T 56 7.058 3.100 3.673 1.00 0.00 H new ATOM 0 HB3 ARG T 56 7.641 1.551 3.096 1.00 0.00 H new ATOM 0 HG2 ARG T 56 9.948 2.235 3.331 1.00 0.00 H new ATOM 0 HG3 ARG T 56 9.489 3.900 3.627 1.00 0.00 H new ATOM 0 HD2 ARG T 56 9.217 1.508 5.443 1.00 0.00 H new ATOM 0 HD3 ARG T 56 9.924 3.074 5.785 1.00 0.00 H new ATOM 0 HE ARG T 56 7.176 3.516 5.244 1.00 0.00 H new ATOM 0 HH11 ARG T 56 9.216 1.852 7.596 1.00 0.00 H new ATOM 0 HH12 ARG T 56 8.051 2.037 8.911 1.00 0.00 H new ATOM 0 HH21 ARG T 56 5.684 3.752 6.941 1.00 0.00 H new ATOM 0 HH22 ARG T 56 6.061 3.108 8.542 1.00 0.00 H new ATOM 874 N VAL T 57 6.870 1.170 0.597 1.00 0.00 N ATOM 875 CA VAL T 57 5.878 0.388 -0.120 1.00 0.00 C ATOM 876 C VAL T 57 6.157 -1.105 0.020 1.00 0.00 C ATOM 877 O VAL T 57 7.112 -1.625 -0.557 1.00 0.00 O ATOM 878 CB VAL T 57 5.849 0.769 -1.607 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.254 1.040 -2.119 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.167 -0.313 -2.433 1.00 0.00 C ATOM 0 H VAL T 57 7.717 0.655 0.838 1.00 0.00 H new ATOM 0 HA VAL T 57 4.905 0.609 0.320 1.00 0.00 H new ATOM 0 HB VAL T 57 5.268 1.685 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.211 1.308 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.695 1.861 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL T 57 7.865 0.146 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.159 -0.019 -3.483 1.00 0.00 H new ATOM 0 HG22 VAL T 57 5.710 -1.251 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.142 -0.444 -2.086 1.00 0.00 H new ATOM 890 N GLY T 58 5.317 -1.787 0.792 1.00 0.00 N ATOM 891 CA GLY T 58 5.491 -3.212 0.997 1.00 0.00 C ATOM 892 C GLY T 58 4.327 -4.015 0.455 1.00 0.00 C ATOM 893 O GLY T 58 3.459 -3.476 -0.230 1.00 0.00 O ATOM 0 H GLY T 58 4.519 -1.378 1.279 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.411 -3.537 0.512 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.604 -3.413 2.062 1.00 0.00 H new ATOM 897 N TYR T 59 4.308 -5.308 0.759 1.00 0.00 N ATOM 898 CA TYR T 59 3.240 -6.184 0.292 1.00 0.00 C ATOM 899 C TYR T 59 2.562 -6.886 1.464 1.00 0.00 C ATOM 900 O TYR T 59 2.882 -8.030 1.788 1.00 0.00 O ATOM 901 CB TYR T 59 3.788 -7.220 -0.694 1.00 0.00 C ATOM 902 CG TYR T 59 5.156 -6.868 -1.240 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.383 -5.654 -1.880 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.220 -7.752 -1.116 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.630 -5.333 -2.380 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.470 -7.438 -1.614 1.00 0.00 C ATOM 907 CZ TYR T 59 7.671 -6.229 -2.243 1.00 0.00 C ATOM 908 OH TYR T 59 8.914 -5.912 -2.740 1.00 0.00 O ATOM 0 H TYR T 59 5.018 -5.772 1.325 1.00 0.00 H new ATOM 0 HA TYR T 59 2.499 -5.569 -0.219 1.00 0.00 H new ATOM 0 HB2 TYR T 59 3.842 -8.189 -0.198 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.090 -7.325 -1.524 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.571 -4.951 -1.988 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.068 -8.700 -0.622 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.790 -4.387 -2.875 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.286 -8.138 -1.511 1.00 0.00 H new ATOM 0 HH TYR T 59 9.597 -6.119 -2.069 1.00 0.00 H new ATOM 918 N PRO T 60 1.610 -6.201 2.119 1.00 0.00 N ATOM 919 CA PRO T 60 0.879 -6.755 3.266 1.00 0.00 C ATOM 920 C PRO T 60 0.116 -8.025 2.907 1.00 0.00 C ATOM 921 O PRO T 60 -0.756 -8.013 2.037 1.00 0.00 O ATOM 922 CB PRO T 60 -0.099 -5.640 3.651 1.00 0.00 C ATOM 923 CG PRO T 60 0.438 -4.400 3.025 1.00 0.00 C ATOM 924 CD PRO T 60 1.176 -4.834 1.792 1.00 0.00 C ATOM 0 HA PRO T 60 1.554 -7.041 4.072 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -1.104 -5.858 3.289 1.00 0.00 H new ATOM 0 HB3 PRO T 60 -0.166 -5.535 4.734 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.368 -3.711 2.773 1.00 0.00 H new ATOM 0 HG3 PRO T 60 1.103 -3.875 3.711 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.533 -4.816 0.912 1.00 0.00 H new ATOM 0 HD3 PRO T 60 2.024 -4.183 1.581 1.00 0.00 H new ATOM 932 N ILE T 61 0.450 -9.121 3.582 1.00 0.00 N ATOM 933 CA ILE T 61 -0.204 -10.400 3.335 1.00 0.00 C ATOM 934 C ILE T 61 -0.480 -11.136 4.642 1.00 0.00 C ATOM 935 O ILE T 61 0.397 -11.247 5.499 1.00 0.00 O ATOM 936 CB ILE T 61 0.654 -11.304 2.428 1.00 0.00 C ATOM 937 CG1 ILE T 61 1.069 -10.551 1.161 1.00 0.00 C ATOM 938 CG2 ILE T 61 -0.105 -12.574 2.074 1.00 0.00 C ATOM 939 CD1 ILE T 61 -0.065 -10.337 0.182 1.00 0.00 C ATOM 0 H ILE T 61 1.170 -9.148 4.304 1.00 0.00 H new ATOM 0 HA ILE T 61 -1.147 -10.181 2.834 1.00 0.00 H new ATOM 0 HB ILE T 61 1.557 -11.584 2.971 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.481 -9.582 1.443 1.00 0.00 H new ATOM 0 HG13 ILE T 61 1.866 -11.104 0.665 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.514 -13.201 1.433 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.350 -13.118 2.986 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -1.024 -12.314 1.548 1.00 0.00 H new ATOM 0 HD11 ILE T 61 0.304 -9.797 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE T 61 -0.463 -11.302 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.854 -9.757 0.660 1.00 0.00 H new ATOM 951 N VAL T 62 -1.702 -11.638 4.789 1.00 0.00 N ATOM 952 CA VAL T 62 -2.088 -12.366 5.994 1.00 0.00 C ATOM 953 C VAL T 62 -2.278 -13.849 5.699 1.00 0.00 C ATOM 954 O VAL T 62 -2.076 -14.697 6.569 1.00 0.00 O ATOM 955 CB VAL T 62 -3.390 -11.809 6.603 1.00 0.00 C ATOM 956 CG1 VAL T 62 -3.179 -11.435 8.062 1.00 0.00 C ATOM 957 CG2 VAL T 62 -3.889 -10.615 5.804 1.00 0.00 C ATOM 0 H VAL T 62 -2.441 -11.555 4.091 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.278 -12.236 6.711 1.00 0.00 H new ATOM 0 HB VAL T 62 -4.152 -12.587 6.558 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -4.109 -11.044 8.475 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -2.876 -12.318 8.624 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -2.401 -10.674 8.134 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -4.809 -10.237 6.251 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -3.133 -9.830 5.812 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -4.084 -10.921 4.776 1.00 0.00 H new ATOM 967 N LYS T 63 -2.664 -14.157 4.465 1.00 0.00 N ATOM 968 CA LYS T 63 -2.880 -15.540 4.054 1.00 0.00 C ATOM 969 C LYS T 63 -2.024 -15.883 2.840 1.00 0.00 C ATOM 970 O LYS T 63 -2.491 -15.825 1.701 1.00 0.00 O ATOM 971 CB LYS T 63 -4.359 -15.772 3.735 1.00 0.00 C ATOM 972 CG LYS T 63 -4.746 -17.241 3.666 1.00 0.00 C ATOM 973 CD LYS T 63 -5.945 -17.540 4.551 1.00 0.00 C ATOM 974 CE LYS T 63 -5.546 -17.684 6.011 1.00 0.00 C ATOM 975 NZ LYS T 63 -6.584 -18.394 6.809 1.00 0.00 N ATOM 0 H LYS T 63 -2.834 -13.468 3.732 1.00 0.00 H new ATOM 0 HA LYS T 63 -2.588 -16.191 4.878 1.00 0.00 H new ATOM 0 HB2 LYS T 63 -4.967 -15.280 4.495 1.00 0.00 H new ATOM 0 HB3 LYS T 63 -4.595 -15.298 2.782 1.00 0.00 H new ATOM 0 HG2 LYS T 63 -4.976 -17.510 2.635 1.00 0.00 H new ATOM 0 HG3 LYS T 63 -3.901 -17.856 3.975 1.00 0.00 H new ATOM 0 HD2 LYS T 63 -6.679 -16.740 4.452 1.00 0.00 H new ATOM 0 HD3 LYS T 63 -6.426 -18.458 4.213 1.00 0.00 H new ATOM 0 HE2 LYS T 63 -4.604 -18.228 6.077 1.00 0.00 H new ATOM 0 HE3 LYS T 63 -5.374 -16.696 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS T 63 -6.270 -18.470 7.798 1.00 0.00 H new ATOM 0 HZ2 LYS T 63 -7.477 -17.862 6.769 1.00 0.00 H new ATOM 0 HZ3 LYS T 63 -6.731 -19.347 6.419 1.00 0.00 H new ATOM 989 N PRO T 64 -0.754 -16.251 3.068 1.00 0.00 N ATOM 990 CA PRO T 64 0.172 -16.607 1.987 1.00 0.00 C ATOM 991 C PRO T 64 -0.294 -17.834 1.210 1.00 0.00 C ATOM 992 O PRO T 64 -0.755 -18.814 1.797 1.00 0.00 O ATOM 993 CB PRO T 64 1.488 -16.902 2.714 1.00 0.00 C ATOM 994 CG PRO T 64 1.109 -17.162 4.130 1.00 0.00 C ATOM 995 CD PRO T 64 -0.124 -16.346 4.396 1.00 0.00 C ATOM 0 HA PRO T 64 0.254 -15.811 1.247 1.00 0.00 H new ATOM 0 HB2 PRO T 64 1.993 -17.764 2.278 1.00 0.00 H new ATOM 0 HB3 PRO T 64 2.175 -16.059 2.640 1.00 0.00 H new ATOM 0 HG2 PRO T 64 0.915 -18.222 4.292 1.00 0.00 H new ATOM 0 HG3 PRO T 64 1.916 -16.879 4.806 1.00 0.00 H new ATOM 0 HD2 PRO T 64 -0.780 -16.830 5.120 1.00 0.00 H new ATOM 0 HD3 PRO T 64 0.122 -15.363 4.797 1.00 0.00 H new ATOM 1003 N GLY T 65 -0.172 -17.772 -0.112 1.00 0.00 N ATOM 1004 CA GLY T 65 -0.585 -18.884 -0.948 1.00 0.00 C ATOM 1005 C GLY T 65 0.310 -19.061 -2.160 1.00 0.00 C ATOM 1006 O GLY T 65 1.535 -19.083 -2.031 1.00 0.00 O ATOM 0 H GLY T 65 0.205 -16.972 -0.619 1.00 0.00 H new ATOM 0 HA2 GLY T 65 -0.578 -19.800 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY T 65 -1.612 -18.725 -1.278 1.00 0.00 H new ATOM 1010 N PRO T 66 -0.277 -19.190 -3.359 1.00 0.00 N ATOM 1011 CA PRO T 66 0.486 -19.365 -4.599 1.00 0.00 C ATOM 1012 C PRO T 66 1.285 -18.119 -4.967 1.00 0.00 C ATOM 1013 O PRO T 66 2.488 -18.045 -4.716 1.00 0.00 O ATOM 1014 CB PRO T 66 -0.593 -19.639 -5.649 1.00 0.00 C ATOM 1015 CG PRO T 66 -1.834 -19.031 -5.092 1.00 0.00 C ATOM 1016 CD PRO T 66 -1.732 -19.175 -3.600 1.00 0.00 C ATOM 0 HA PRO T 66 1.224 -20.162 -4.513 1.00 0.00 H new ATOM 0 HB2 PRO T 66 -0.332 -19.194 -6.609 1.00 0.00 H new ATOM 0 HB3 PRO T 66 -0.718 -20.709 -5.817 1.00 0.00 H new ATOM 0 HG2 PRO T 66 -1.917 -17.982 -5.378 1.00 0.00 H new ATOM 0 HG3 PRO T 66 -2.721 -19.537 -5.473 1.00 0.00 H new ATOM 0 HD2 PRO T 66 -2.217 -18.348 -3.082 1.00 0.00 H new ATOM 0 HD3 PRO T 66 -2.207 -20.092 -3.251 1.00 0.00 H new ATOM 1024 N ASN T 67 0.609 -17.142 -5.562 1.00 0.00 N ATOM 1025 CA ASN T 67 1.255 -15.898 -5.963 1.00 0.00 C ATOM 1026 C ASN T 67 0.803 -14.742 -5.079 1.00 0.00 C ATOM 1027 O ASN T 67 1.502 -13.738 -4.944 1.00 0.00 O ATOM 1028 CB ASN T 67 0.945 -15.586 -7.429 1.00 0.00 C ATOM 1029 CG ASN T 67 -0.205 -16.413 -7.968 1.00 0.00 C ATOM 1030 OD1 ASN T 67 -1.386 -16.231 -7.390 1.00 0.00 O flip ATOM 1031 ND2 ASN T 67 -0.035 -17.207 -8.893 1.00 0.00 N flip ATOM 0 H ASN T 67 -0.387 -17.188 -5.777 1.00 0.00 H new ATOM 0 HA ASN T 67 2.331 -16.023 -5.846 1.00 0.00 H new ATOM 0 HB2 ASN T 67 0.705 -14.527 -7.529 1.00 0.00 H new ATOM 0 HB3 ASN T 67 1.834 -15.770 -8.032 1.00 0.00 H new ATOM 0 HD21 ASN T 67 0.890 -17.315 -9.308 1.00 0.00 H new ATOM 0 HD22 ASN T 67 -0.819 -17.756 -9.244 1.00 0.00 H new ATOM 1038 N CYS T 68 -0.372 -14.891 -4.475 1.00 0.00 N ATOM 1039 CA CYS T 68 -0.921 -13.862 -3.601 1.00 0.00 C ATOM 1040 C CYS T 68 -0.399 -14.027 -2.177 1.00 0.00 C ATOM 1041 O CYS T 68 -1.160 -13.943 -1.212 1.00 0.00 O ATOM 1042 CB CYS T 68 -2.450 -13.919 -3.608 1.00 0.00 C ATOM 1043 SG CYS T 68 -3.251 -12.563 -2.693 1.00 0.00 S ATOM 0 H CYS T 68 -0.963 -15.716 -4.576 1.00 0.00 H new ATOM 0 HA CYS T 68 -0.601 -12.890 -3.977 1.00 0.00 H new ATOM 0 HB2 CYS T 68 -2.798 -13.901 -4.641 1.00 0.00 H new ATOM 0 HB3 CYS T 68 -2.769 -14.869 -3.180 1.00 0.00 H new ATOM 1048 N GLY T 69 0.903 -14.261 -2.053 1.00 0.00 N ATOM 1049 CA GLY T 69 1.506 -14.435 -0.744 1.00 0.00 C ATOM 1050 C GLY T 69 2.934 -14.935 -0.840 1.00 0.00 C ATOM 1051 O GLY T 69 3.818 -14.442 -0.139 1.00 0.00 O ATOM 0 H GLY T 69 1.552 -14.333 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY T 69 1.489 -13.486 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY T 69 0.913 -15.141 -0.162 1.00 0.00 H new ATOM 1055 N PHE T 70 3.159 -15.915 -1.708 1.00 0.00 N ATOM 1056 CA PHE T 70 4.489 -16.484 -1.895 1.00 0.00 C ATOM 1057 C PHE T 70 5.025 -17.059 -0.587 1.00 0.00 C ATOM 1058 O PHE T 70 6.234 -17.085 -0.357 1.00 0.00 O ATOM 1059 CB PHE T 70 5.451 -15.423 -2.431 1.00 0.00 C ATOM 1060 CG PHE T 70 5.398 -15.252 -3.923 1.00 0.00 C ATOM 1061 CD1 PHE T 70 5.846 -16.258 -4.764 1.00 0.00 C ATOM 1062 CD2 PHE T 70 4.902 -14.087 -4.482 1.00 0.00 C ATOM 1063 CE1 PHE T 70 5.798 -16.105 -6.137 1.00 0.00 C ATOM 1064 CE2 PHE T 70 4.852 -13.926 -5.854 1.00 0.00 C ATOM 1065 CZ PHE T 70 5.300 -14.938 -6.682 1.00 0.00 C ATOM 0 H PHE T 70 2.436 -16.333 -2.294 1.00 0.00 H new ATOM 0 HA PHE T 70 4.411 -17.293 -2.621 1.00 0.00 H new ATOM 0 HB2 PHE T 70 5.224 -14.468 -1.957 1.00 0.00 H new ATOM 0 HB3 PHE T 70 6.468 -15.689 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE T 70 6.237 -17.172 -4.342 1.00 0.00 H new ATOM 0 HD2 PHE T 70 4.550 -13.294 -3.839 1.00 0.00 H new ATOM 0 HE1 PHE T 70 6.149 -16.897 -6.782 1.00 0.00 H new ATOM 0 HE2 PHE T 70 4.464 -13.012 -6.278 1.00 0.00 H new ATOM 0 HZ PHE T 70 5.261 -14.816 -7.754 1.00 0.00 H new ATOM 1075 N GLY T 71 4.116 -17.521 0.267 1.00 0.00 N ATOM 1076 CA GLY T 71 4.515 -18.090 1.539 1.00 0.00 C ATOM 1077 C GLY T 71 5.122 -17.046 2.455 1.00 0.00 C ATOM 1078 O GLY T 71 5.912 -17.371 3.342 1.00 0.00 O ATOM 0 H GLY T 71 3.110 -17.511 0.099 1.00 0.00 H new ATOM 0 HA2 GLY T 71 3.649 -18.540 2.024 1.00 0.00 H new ATOM 0 HA3 GLY T 71 5.237 -18.889 1.370 1.00 0.00 H new ATOM 1082 N LYS T 72 4.753 -15.787 2.241 1.00 0.00 N ATOM 1083 CA LYS T 72 5.266 -14.692 3.056 1.00 0.00 C ATOM 1084 C LYS T 72 4.356 -14.430 4.250 1.00 0.00 C ATOM 1085 O LYS T 72 3.154 -14.694 4.197 1.00 0.00 O ATOM 1086 CB LYS T 72 5.405 -13.423 2.213 1.00 0.00 C ATOM 1087 CG LYS T 72 6.572 -13.468 1.240 1.00 0.00 C ATOM 1088 CD LYS T 72 6.338 -12.556 0.048 1.00 0.00 C ATOM 1089 CE LYS T 72 7.648 -12.042 -0.529 1.00 0.00 C ATOM 1090 NZ LYS T 72 8.076 -12.831 -1.717 1.00 0.00 N ATOM 0 H LYS T 72 4.101 -15.500 1.511 1.00 0.00 H new ATOM 0 HA LYS T 72 6.249 -14.979 3.430 1.00 0.00 H new ATOM 0 HB2 LYS T 72 4.482 -13.264 1.655 1.00 0.00 H new ATOM 0 HB3 LYS T 72 5.528 -12.567 2.876 1.00 0.00 H new ATOM 0 HG2 LYS T 72 7.487 -13.171 1.753 1.00 0.00 H new ATOM 0 HG3 LYS T 72 6.719 -14.491 0.894 1.00 0.00 H new ATOM 0 HD2 LYS T 72 5.788 -13.097 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS T 72 5.717 -11.713 0.351 1.00 0.00 H new ATOM 0 HE2 LYS T 72 7.536 -10.995 -0.809 1.00 0.00 H new ATOM 0 HE3 LYS T 72 8.424 -12.086 0.235 1.00 0.00 H new ATOM 0 HZ1 LYS T 72 8.972 -12.450 -2.082 1.00 0.00 H new ATOM 0 HZ2 LYS T 72 8.208 -13.826 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS T 72 7.347 -12.769 -2.456 1.00 0.00 H new ATOM 1104 N THR T 73 4.935 -13.908 5.325 1.00 0.00 N ATOM 1105 CA THR T 73 4.176 -13.610 6.533 1.00 0.00 C ATOM 1106 C THR T 73 4.276 -12.132 6.891 1.00 0.00 C ATOM 1107 O THR T 73 5.368 -11.566 6.936 1.00 0.00 O ATOM 1108 CB THR T 73 4.667 -14.450 7.726 1.00 0.00 C ATOM 1109 OG1 THR T 73 5.997 -14.923 7.479 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.740 -15.631 7.973 1.00 0.00 C ATOM 0 H THR T 73 5.928 -13.682 5.384 1.00 0.00 H new ATOM 0 HA THR T 73 3.136 -13.862 6.325 1.00 0.00 H new ATOM 0 HB THR T 73 4.667 -13.817 8.613 1.00 0.00 H new ATOM 0 HG1 THR T 73 6.302 -15.455 8.243 1.00 0.00 H new ATOM 0 HG21 THR T 73 4.107 -16.210 8.820 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.736 -15.266 8.190 1.00 0.00 H new ATOM 0 HG23 THR T 73 3.712 -16.264 7.086 1.00 0.00 H new ATOM 1118 N GLY T 74 3.128 -11.512 7.142 1.00 0.00 N ATOM 1119 CA GLY T 74 3.109 -10.103 7.490 1.00 0.00 C ATOM 1120 C GLY T 74 3.406 -9.224 6.293 1.00 0.00 C ATOM 1121 O GLY T 74 3.540 -9.716 5.172 1.00 0.00 O ATOM 0 H GLY T 74 2.212 -11.959 7.111 1.00 0.00 H new ATOM 0 HA2 GLY T 74 2.133 -9.843 7.899 1.00 0.00 H new ATOM 0 HA3 GLY T 74 3.843 -9.912 8.272 1.00 0.00 H new ATOM 1125 N ILE T 75 3.512 -7.920 6.527 1.00 0.00 N ATOM 1126 CA ILE T 75 3.796 -6.975 5.454 1.00 0.00 C ATOM 1127 C ILE T 75 5.250 -7.075 5.006 1.00 0.00 C ATOM 1128 O ILE T 75 6.169 -6.816 5.781 1.00 0.00 O ATOM 1129 CB ILE T 75 3.501 -5.526 5.882 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.052 -5.400 6.358 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.776 -4.570 4.731 1.00 0.00 C ATOM 1132 CD1 ILE T 75 1.539 -3.976 6.384 1.00 0.00 C ATOM 0 H ILE T 75 3.406 -7.495 7.448 1.00 0.00 H new ATOM 0 HA ILE T 75 3.142 -7.237 4.623 1.00 0.00 H new ATOM 0 HB ILE T 75 4.159 -5.262 6.710 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.412 -5.995 5.706 1.00 0.00 H new ATOM 0 HG13 ILE T 75 1.970 -5.824 7.359 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.563 -3.549 5.047 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.822 -4.648 4.435 1.00 0.00 H new ATOM 0 HG23 ILE T 75 3.140 -4.827 3.884 1.00 0.00 H new ATOM 0 HD11 ILE T 75 0.506 -3.968 6.732 1.00 0.00 H new ATOM 0 HD12 ILE T 75 2.154 -3.380 7.059 1.00 0.00 H new ATOM 0 HD13 ILE T 75 1.587 -3.553 5.380 1.00 0.00 H new ATOM 1144 N ILE T 76 5.447 -7.449 3.746 1.00 0.00 N ATOM 1145 CA ILE T 76 6.789 -7.581 3.190 1.00 0.00 C ATOM 1146 C ILE T 76 7.264 -6.262 2.595 1.00 0.00 C ATOM 1147 O ILE T 76 7.190 -6.053 1.384 1.00 0.00 O ATOM 1148 CB ILE T 76 6.850 -8.674 2.107 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.044 -9.903 2.539 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.294 -9.056 1.821 1.00 0.00 C ATOM 1151 CD1 ILE T 76 6.343 -10.358 3.950 1.00 0.00 C ATOM 0 H ILE T 76 4.695 -7.666 3.091 1.00 0.00 H new ATOM 0 HA ILE T 76 7.445 -7.866 4.013 1.00 0.00 H new ATOM 0 HB ILE T 76 6.409 -8.279 1.191 1.00 0.00 H new ATOM 0 HG12 ILE T 76 4.981 -9.677 2.457 1.00 0.00 H new ATOM 0 HG13 ILE T 76 6.250 -10.723 1.851 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.321 -9.830 1.054 1.00 0.00 H new ATOM 0 HG22 ILE T 76 8.840 -8.180 1.472 1.00 0.00 H new ATOM 0 HG23 ILE T 76 8.758 -9.433 2.732 1.00 0.00 H new ATOM 0 HD11 ILE T 76 5.736 -11.232 4.187 1.00 0.00 H new ATOM 0 HD12 ILE T 76 7.399 -10.616 4.033 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.110 -9.554 4.649 1.00 0.00 H new ATOM 1163 N ASP T 77 7.749 -5.375 3.454 1.00 0.00 N ATOM 1164 CA ASP T 77 8.235 -4.072 3.017 1.00 0.00 C ATOM 1165 C ASP T 77 9.752 -3.984 3.155 1.00 0.00 C ATOM 1166 O ASP T 77 10.318 -4.390 4.170 1.00 0.00 O ATOM 1167 CB ASP T 77 7.570 -2.959 3.829 1.00 0.00 C ATOM 1168 CG ASP T 77 8.287 -1.630 3.691 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.480 -1.175 2.545 1.00 0.00 O ATOM 1170 OD2 ASP T 77 8.655 -1.044 4.731 1.00 0.00 O ATOM 0 H ASP T 77 7.817 -5.534 4.459 1.00 0.00 H new ATOM 0 HA ASP T 77 7.977 -3.948 1.965 1.00 0.00 H new ATOM 0 HB2 ASP T 77 6.536 -2.845 3.504 1.00 0.00 H new ATOM 0 HB3 ASP T 77 7.544 -3.247 4.880 1.00 0.00 H new ATOM 1175 N TYR T 78 10.404 -3.455 2.125 1.00 0.00 N ATOM 1176 CA TYR T 78 11.855 -3.316 2.129 1.00 0.00 C ATOM 1177 C TYR T 78 12.264 -1.870 2.389 1.00 0.00 C ATOM 1178 O TYR T 78 13.348 -1.440 1.994 1.00 0.00 O ATOM 1179 CB TYR T 78 12.435 -3.797 0.797 1.00 0.00 C ATOM 1180 CG TYR T 78 12.131 -5.246 0.492 1.00 0.00 C ATOM 1181 CD1 TYR T 78 10.826 -5.672 0.278 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.149 -6.189 0.420 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.543 -6.996 0.001 1.00 0.00 C ATOM 1184 CE2 TYR T 78 12.874 -7.515 0.143 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.570 -7.914 -0.065 1.00 0.00 C ATOM 1186 OH TYR T 78 11.293 -9.233 -0.341 1.00 0.00 O ATOM 0 H TYR T 78 9.950 -3.116 1.277 1.00 0.00 H new ATOM 0 HA TYR T 78 12.254 -3.933 2.934 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.041 -3.175 -0.007 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.516 -3.656 0.809 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.019 -4.956 0.329 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.171 -5.881 0.583 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.523 -7.310 -0.163 1.00 0.00 H new ATOM 0 HE2 TYR T 78 13.677 -8.236 0.090 1.00 0.00 H new ATOM 0 HH TYR T 78 12.127 -9.747 -0.352 1.00 0.00 H new ATOM 1196 N GLY T 79 11.390 -1.125 3.057 1.00 0.00 N ATOM 1197 CA GLY T 79 11.677 0.264 3.361 1.00 0.00 C ATOM 1198 C GLY T 79 11.672 1.114 2.105 1.00 0.00 C ATOM 1199 O GLY T 79 11.417 0.612 1.010 1.00 0.00 O ATOM 0 H GLY T 79 10.487 -1.459 3.394 1.00 0.00 H new ATOM 0 HA2 GLY T 79 10.936 0.645 4.064 1.00 0.00 H new ATOM 0 HA3 GLY T 79 12.648 0.339 3.850 1.00 0.00 H new ATOM 1203 N ILE T 80 11.955 2.403 2.263 1.00 0.00 N ATOM 1204 CA ILE T 80 11.982 3.324 1.134 1.00 0.00 C ATOM 1205 C ILE T 80 13.050 2.921 0.123 1.00 0.00 C ATOM 1206 O ILE T 80 14.237 2.866 0.447 1.00 0.00 O ATOM 1207 CB ILE T 80 12.246 4.772 1.593 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.216 5.192 2.643 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.216 5.720 0.404 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.605 6.431 3.418 1.00 0.00 C ATOM 0 H ILE T 80 12.169 2.833 3.163 1.00 0.00 H new ATOM 0 HA ILE T 80 11.000 3.275 0.663 1.00 0.00 H new ATOM 0 HB ILE T 80 13.237 4.819 2.044 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.260 5.368 2.150 1.00 0.00 H new ATOM 0 HG13 ILE T 80 11.067 4.369 3.342 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.404 6.738 0.745 1.00 0.00 H new ATOM 0 HG22 ILE T 80 12.985 5.430 -0.312 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.238 5.673 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.826 6.666 4.143 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.545 6.253 3.940 1.00 0.00 H new ATOM 0 HD13 ILE T 80 11.725 7.268 2.730 1.00 0.00 H new ATOM 1222 N ARG T 81 12.620 2.640 -1.104 1.00 0.00 N ATOM 1223 CA ARG T 81 13.539 2.241 -2.163 1.00 0.00 C ATOM 1224 C ARG T 81 14.277 3.450 -2.728 1.00 0.00 C ATOM 1225 O ARG T 81 15.004 3.339 -3.717 1.00 0.00 O ATOM 1226 CB ARG T 81 12.779 1.523 -3.281 1.00 0.00 C ATOM 1227 CG ARG T 81 12.785 0.009 -3.145 1.00 0.00 C ATOM 1228 CD ARG T 81 14.200 -0.546 -3.155 1.00 0.00 C ATOM 1229 NE ARG T 81 14.222 -1.981 -3.422 1.00 0.00 N ATOM 1230 CZ ARG T 81 15.111 -2.568 -4.217 1.00 0.00 C ATOM 1231 NH1 ARG T 81 16.043 -1.844 -4.822 1.00 0.00 N ATOM 1232 NH2 ARG T 81 15.067 -3.879 -4.410 1.00 0.00 N ATOM 0 H ARG T 81 11.641 2.682 -1.388 1.00 0.00 H new ATOM 0 HA ARG T 81 14.273 1.559 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG T 81 11.747 1.875 -3.292 1.00 0.00 H new ATOM 0 HB3 ARG T 81 13.218 1.795 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG T 81 12.288 -0.276 -2.218 1.00 0.00 H new ATOM 0 HG3 ARG T 81 12.214 -0.433 -3.962 1.00 0.00 H new ATOM 0 HD2 ARG T 81 14.788 -0.027 -3.912 1.00 0.00 H new ATOM 0 HD3 ARG T 81 14.674 -0.349 -2.193 1.00 0.00 H new ATOM 0 HE ARG T 81 13.516 -2.565 -2.974 1.00 0.00 H new ATOM 0 HH11 ARG T 81 16.079 -0.835 -4.678 1.00 0.00 H new ATOM 0 HH12 ARG T 81 16.724 -2.296 -5.432 1.00 0.00 H new ATOM 0 HH21 ARG T 81 14.350 -4.439 -3.948 1.00 0.00 H new ATOM 0 HH22 ARG T 81 15.750 -4.328 -5.020 1.00 0.00 H new ATOM 1246 N LEU T 82 14.086 4.603 -2.096 1.00 0.00 N ATOM 1247 CA LEU T 82 14.734 5.834 -2.535 1.00 0.00 C ATOM 1248 C LEU T 82 14.358 6.161 -3.977 1.00 0.00 C ATOM 1249 O LEU T 82 15.159 6.718 -4.728 1.00 0.00 O ATOM 1250 CB LEU T 82 16.254 5.710 -2.406 1.00 0.00 C ATOM 1251 CG LEU T 82 16.976 6.944 -1.859 1.00 0.00 C ATOM 1252 CD1 LEU T 82 16.547 8.195 -2.611 1.00 0.00 C ATOM 1253 CD2 LEU T 82 16.711 7.101 -0.370 1.00 0.00 C ATOM 0 H LEU T 82 13.487 4.711 -1.277 1.00 0.00 H new ATOM 0 HA LEU T 82 14.388 6.646 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.477 4.863 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.666 5.476 -3.388 1.00 0.00 H new ATOM 0 HG LEU T 82 18.047 6.806 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU T 82 17.072 9.061 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU T 82 16.789 8.085 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU T 82 15.472 8.337 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU T 82 17.232 7.983 0.001 1.00 0.00 H new ATOM 0 HD22 LEU T 82 15.640 7.214 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU T 82 17.070 6.218 0.159 1.00 0.00 H new ATOM 1265 N ASN T 83 13.134 5.810 -4.357 1.00 0.00 N ATOM 1266 CA ASN T 83 12.653 6.067 -5.710 1.00 0.00 C ATOM 1267 C ASN T 83 11.128 6.067 -5.756 1.00 0.00 C ATOM 1268 O ASN T 83 10.510 5.092 -6.184 1.00 0.00 O ATOM 1269 CB ASN T 83 13.204 5.018 -6.677 1.00 0.00 C ATOM 1270 CG ASN T 83 13.313 5.543 -8.095 1.00 0.00 C ATOM 1271 OD1 ASN T 83 12.858 4.903 -9.043 1.00 0.00 O ATOM 1272 ND2 ASN T 83 13.920 6.714 -8.246 1.00 0.00 N ATOM 0 H ASN T 83 12.458 5.348 -3.749 1.00 0.00 H new ATOM 0 HA ASN T 83 13.007 7.052 -6.013 1.00 0.00 H new ATOM 0 HB2 ASN T 83 14.187 4.693 -6.336 1.00 0.00 H new ATOM 0 HB3 ASN T 83 12.557 4.141 -6.665 1.00 0.00 H new ATOM 0 HD21 ASN T 83 14.024 7.118 -9.177 1.00 0.00 H new ATOM 0 HD22 ASN T 83 14.282 7.210 -7.431 1.00 0.00 H new ATOM 1279 N ARG T 84 10.529 7.167 -5.313 1.00 0.00 N ATOM 1280 CA ARG T 84 9.080 7.299 -5.304 1.00 0.00 C ATOM 1281 C ARG T 84 8.520 7.243 -6.722 1.00 0.00 C ATOM 1282 O ARG T 84 7.307 7.180 -6.917 1.00 0.00 O ATOM 1283 CB ARG T 84 8.681 8.615 -4.638 1.00 0.00 C ATOM 1284 CG ARG T 84 9.285 8.807 -3.257 1.00 0.00 C ATOM 1285 CD ARG T 84 9.492 10.279 -2.934 1.00 0.00 C ATOM 1286 NE ARG T 84 10.856 10.560 -2.497 1.00 0.00 N ATOM 1287 CZ ARG T 84 11.715 11.297 -3.193 1.00 0.00 C ATOM 1288 NH1 ARG T 84 11.353 11.826 -4.355 1.00 0.00 N ATOM 1289 NH2 ARG T 84 12.940 11.508 -2.730 1.00 0.00 N ATOM 0 H ARG T 84 11.028 7.981 -4.955 1.00 0.00 H new ATOM 0 HA ARG T 84 8.663 6.467 -4.737 1.00 0.00 H new ATOM 0 HB2 ARG T 84 8.987 9.443 -5.277 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.595 8.658 -4.559 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.632 8.358 -2.508 1.00 0.00 H new ATOM 0 HG3 ARG T 84 10.240 8.284 -3.201 1.00 0.00 H new ATOM 0 HD2 ARG T 84 9.264 10.878 -3.815 1.00 0.00 H new ATOM 0 HD3 ARG T 84 8.793 10.580 -2.154 1.00 0.00 H new ATOM 0 HE ARG T 84 11.167 10.169 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG T 84 10.413 11.667 -4.717 1.00 0.00 H new ATOM 0 HH12 ARG T 84 12.015 12.391 -4.886 1.00 0.00 H new ATOM 0 HH21 ARG T 84 13.225 11.104 -1.838 1.00 0.00 H new ATOM 0 HH22 ARG T 84 13.597 12.074 -3.266 1.00 0.00 H new ATOM 1303 N SER T 85 9.412 7.268 -7.707 1.00 0.00 N ATOM 1304 CA SER T 85 9.007 7.220 -9.107 1.00 0.00 C ATOM 1305 C SER T 85 8.728 5.787 -9.547 1.00 0.00 C ATOM 1306 O SER T 85 8.694 5.490 -10.741 1.00 0.00 O ATOM 1307 CB SER T 85 10.091 7.836 -9.994 1.00 0.00 C ATOM 1308 OG SER T 85 9.634 9.032 -10.602 1.00 0.00 O ATOM 0 H SER T 85 10.420 7.321 -7.561 1.00 0.00 H new ATOM 0 HA SER T 85 8.088 7.797 -9.212 1.00 0.00 H new ATOM 0 HB2 SER T 85 10.979 8.044 -9.397 1.00 0.00 H new ATOM 0 HB3 SER T 85 10.385 7.122 -10.764 1.00 0.00 H new ATOM 0 HG SER T 85 10.346 9.407 -11.162 1.00 0.00 H new ATOM 1314 N GLU T 86 8.527 4.902 -8.576 1.00 0.00 N ATOM 1315 CA GLU T 86 8.249 3.501 -8.866 1.00 0.00 C ATOM 1316 C GLU T 86 6.788 3.312 -9.259 1.00 0.00 C ATOM 1317 O GLU T 86 6.037 4.282 -9.367 1.00 0.00 O ATOM 1318 CB GLU T 86 8.581 2.632 -7.651 1.00 0.00 C ATOM 1319 CG GLU T 86 10.047 2.242 -7.565 1.00 0.00 C ATOM 1320 CD GLU T 86 10.284 0.784 -7.905 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.926 0.370 -9.028 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.825 0.056 -7.047 1.00 0.00 O ATOM 0 H GLU T 86 8.552 5.131 -7.582 1.00 0.00 H new ATOM 0 HA GLU T 86 8.876 3.194 -9.703 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.302 3.169 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.974 1.727 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.626 2.868 -8.244 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.413 2.440 -6.558 1.00 0.00 H new ATOM 1329 N ARG T 87 6.390 2.063 -9.473 1.00 0.00 N ATOM 1330 CA ARG T 87 5.015 1.760 -9.853 1.00 0.00 C ATOM 1331 C ARG T 87 4.468 0.583 -9.056 1.00 0.00 C ATOM 1332 O ARG T 87 4.952 -0.543 -9.173 1.00 0.00 O ATOM 1333 CB ARG T 87 4.923 1.459 -11.347 1.00 0.00 C ATOM 1334 CG ARG T 87 5.884 2.269 -12.204 1.00 0.00 C ATOM 1335 CD ARG T 87 6.585 1.401 -13.236 1.00 0.00 C ATOM 1336 NE ARG T 87 6.441 1.935 -14.587 1.00 0.00 N ATOM 1337 CZ ARG T 87 7.461 2.121 -15.420 1.00 0.00 C ATOM 1338 NH1 ARG T 87 8.694 1.818 -15.039 1.00 0.00 N ATOM 1339 NH2 ARG T 87 7.247 2.607 -16.635 1.00 0.00 N ATOM 0 H ARG T 87 6.997 1.247 -9.390 1.00 0.00 H new ATOM 0 HA ARG T 87 4.411 2.639 -9.628 1.00 0.00 H new ATOM 0 HB2 ARG T 87 5.117 0.398 -11.506 1.00 0.00 H new ATOM 0 HB3 ARG T 87 3.904 1.650 -11.683 1.00 0.00 H new ATOM 0 HG2 ARG T 87 5.338 3.066 -12.709 1.00 0.00 H new ATOM 0 HG3 ARG T 87 6.627 2.747 -11.565 1.00 0.00 H new ATOM 0 HD2 ARG T 87 7.643 1.325 -12.987 1.00 0.00 H new ATOM 0 HD3 ARG T 87 6.175 0.392 -13.199 1.00 0.00 H new ATOM 0 HE ARG T 87 5.505 2.179 -14.910 1.00 0.00 H new ATOM 0 HH11 ARG T 87 8.861 1.442 -14.106 1.00 0.00 H new ATOM 0 HH12 ARG T 87 9.475 1.961 -15.679 1.00 0.00 H new ATOM 0 HH21 ARG T 87 6.299 2.839 -16.932 1.00 0.00 H new ATOM 0 HH22 ARG T 87 8.030 2.749 -17.273 1.00 0.00 H new ATOM 1353 N TRP T 88 3.450 0.859 -8.252 1.00 0.00 N ATOM 1354 CA TRP T 88 2.810 -0.163 -7.428 1.00 0.00 C ATOM 1355 C TRP T 88 1.345 0.189 -7.202 1.00 0.00 C ATOM 1356 O TRP T 88 0.643 0.591 -8.130 1.00 0.00 O ATOM 1357 CB TRP T 88 3.520 -0.291 -6.075 1.00 0.00 C ATOM 1358 CG TRP T 88 5.015 -0.279 -6.168 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.848 0.740 -5.811 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.854 -1.338 -6.644 1.00 0.00 C ATOM 1361 NE1 TRP T 88 7.156 0.382 -6.039 1.00 0.00 N ATOM 1362 CE2 TRP T 88 7.185 -0.890 -6.550 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.609 -2.622 -7.140 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.265 -1.680 -6.934 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.682 -3.405 -7.521 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.996 -2.932 -7.415 1.00 0.00 C ATOM 0 H TRP T 88 3.045 1.790 -8.151 1.00 0.00 H new ATOM 0 HA TRP T 88 2.878 -1.116 -7.953 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.200 0.527 -5.429 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.203 -1.218 -5.596 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.527 1.689 -5.408 1.00 0.00 H new ATOM 0 HE1 TRP T 88 7.971 0.967 -5.858 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.599 -2.995 -7.224 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.279 -1.317 -6.855 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.504 -4.398 -7.907 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.814 -3.569 -7.719 1.00 0.00 H new ATOM 1377 N ASP T 89 0.894 0.053 -5.961 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.483 0.371 -5.610 1.00 0.00 C ATOM 1379 C ASP T 89 -0.522 1.500 -4.591 1.00 0.00 C ATOM 1380 O ASP T 89 0.503 2.112 -4.286 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.198 -0.860 -5.051 1.00 0.00 C ATOM 1382 CG ASP T 89 -0.812 -2.128 -5.785 1.00 0.00 C ATOM 1383 OD1 ASP T 89 0.338 -2.583 -5.620 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -1.663 -2.668 -6.524 1.00 0.00 O ATOM 0 H ASP T 89 1.463 -0.276 -5.181 1.00 0.00 H new ATOM 0 HA ASP T 89 -0.999 0.691 -6.515 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -0.959 -0.968 -3.993 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.276 -0.715 -5.121 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.706 1.770 -4.065 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.878 2.825 -3.079 1.00 0.00 C ATOM 1391 C ALA T 90 -2.951 2.455 -2.063 1.00 0.00 C ATOM 1392 O ALA T 90 -4.056 2.060 -2.434 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.240 4.132 -3.768 1.00 0.00 C ATOM 0 H ALA T 90 -2.563 1.272 -4.305 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.934 2.950 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.366 4.915 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.443 4.413 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.170 4.006 -4.322 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.628 2.590 -0.782 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.576 2.274 0.273 1.00 0.00 C ATOM 1401 C TYR T 91 -4.251 3.543 0.772 1.00 0.00 C ATOM 1402 O TYR T 91 -3.620 4.380 1.412 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.866 1.561 1.424 1.00 0.00 C ATOM 1404 CG TYR T 91 -2.614 0.093 1.163 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.636 -0.842 1.280 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -1.356 -0.355 0.784 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -3.408 -2.180 1.029 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -1.123 -1.691 0.526 1.00 0.00 C ATOM 1409 CZ TYR T 91 -2.152 -2.598 0.651 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.929 -3.927 0.382 1.00 0.00 O ATOM 0 H TYR T 91 -1.719 2.915 -0.452 1.00 0.00 H new ATOM 0 HA TYR T 91 -4.340 1.610 -0.130 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.914 2.056 1.615 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -3.466 1.663 2.329 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.624 -0.517 1.572 1.00 0.00 H new ATOM 0 HD2 TYR T 91 -0.546 0.353 0.689 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -4.211 -2.895 1.129 1.00 0.00 H new ATOM 0 HE2 TYR T 91 -0.140 -2.023 0.228 1.00 0.00 H new ATOM 0 HH TYR T 91 -1.220 -4.010 -0.289 1.00 0.00 H new ATOM 1420 N CYS T 92 -5.534 3.690 0.461 1.00 0.00 N ATOM 1421 CA CYS T 92 -6.282 4.870 0.872 1.00 0.00 C ATOM 1422 C CYS T 92 -6.866 4.691 2.268 1.00 0.00 C ATOM 1423 O CYS T 92 -7.472 3.666 2.575 1.00 0.00 O ATOM 1424 CB CYS T 92 -7.390 5.172 -0.135 1.00 0.00 C ATOM 1425 SG CYS T 92 -6.854 6.201 -1.539 1.00 0.00 S ATOM 0 H CYS T 92 -6.075 3.009 -0.072 1.00 0.00 H new ATOM 0 HA CYS T 92 -5.594 5.715 0.901 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.786 4.231 -0.517 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -8.208 5.676 0.380 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.667 5.697 3.110 1.00 0.00 N ATOM 1431 CA TYR T 93 -7.157 5.666 4.481 1.00 0.00 C ATOM 1432 C TYR T 93 -7.898 6.956 4.815 1.00 0.00 C ATOM 1433 O TYR T 93 -7.302 8.032 4.865 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.978 5.464 5.435 1.00 0.00 C ATOM 1435 CG TYR T 93 -6.348 5.530 6.904 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -7.083 6.592 7.420 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -5.952 4.526 7.778 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -7.413 6.649 8.760 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -6.279 4.575 9.120 1.00 0.00 C ATOM 1440 CZ TYR T 93 -7.010 5.638 9.605 1.00 0.00 C ATOM 1441 OH TYR T 93 -7.337 5.690 10.941 1.00 0.00 O ATOM 0 H TYR T 93 -6.166 6.551 2.864 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.857 4.838 4.592 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -5.521 4.496 5.230 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -5.223 6.223 5.228 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -7.401 7.386 6.761 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -5.378 3.692 7.402 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -7.984 7.482 9.143 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -5.963 3.785 9.785 1.00 0.00 H new ATOM 0 HH TYR T 93 -6.978 4.900 11.397 1.00 0.00 H new ATOM 1451 N ASN T 94 -9.200 6.838 5.047 1.00 0.00 N ATOM 1452 CA ASN T 94 -10.025 7.993 5.383 1.00 0.00 C ATOM 1453 C ASN T 94 -10.894 7.694 6.600 1.00 0.00 C ATOM 1454 O ASN T 94 -11.149 6.533 6.920 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.910 8.380 4.195 1.00 0.00 C ATOM 1456 CG ASN T 94 -10.110 8.748 2.961 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -8.937 8.397 2.838 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -10.742 9.462 2.037 1.00 0.00 N ATOM 0 H ASN T 94 -9.708 5.954 5.009 1.00 0.00 H new ATOM 0 HA ASN T 94 -9.364 8.827 5.619 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -11.574 7.549 3.957 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.541 9.222 4.478 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.254 9.740 1.186 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.715 9.732 2.179 1.00 0.00 H new ATOM 1465 N PRO T 95 -11.368 8.740 7.294 1.00 0.00 N ATOM 1466 CA PRO T 95 -12.220 8.582 8.475 1.00 0.00 C ATOM 1467 C PRO T 95 -13.448 7.734 8.168 1.00 0.00 C ATOM 1468 O PRO T 95 -13.737 6.763 8.867 1.00 0.00 O ATOM 1469 CB PRO T 95 -12.632 10.018 8.839 1.00 0.00 C ATOM 1470 CG PRO T 95 -12.278 10.843 7.644 1.00 0.00 C ATOM 1471 CD PRO T 95 -11.126 10.152 6.981 1.00 0.00 C ATOM 0 HA PRO T 95 -11.702 8.071 9.287 1.00 0.00 H new ATOM 0 HB2 PRO T 95 -13.698 10.078 9.057 1.00 0.00 H new ATOM 0 HB3 PRO T 95 -12.105 10.366 9.727 1.00 0.00 H new ATOM 0 HG2 PRO T 95 -13.126 10.925 6.964 1.00 0.00 H new ATOM 0 HG3 PRO T 95 -12.006 11.857 7.938 1.00 0.00 H new ATOM 0 HD2 PRO T 95 -11.112 10.331 5.906 1.00 0.00 H new ATOM 0 HD3 PRO T 95 -10.169 10.495 7.374 1.00 0.00 H new ATOM 1479 N HIS T 96 -14.157 8.105 7.109 1.00 0.00 N ATOM 1480 CA HIS T 96 -15.347 7.377 6.690 1.00 0.00 C ATOM 1481 C HIS T 96 -15.044 6.531 5.459 1.00 0.00 C ATOM 1482 O HIS T 96 -15.669 5.494 5.235 1.00 0.00 O ATOM 1483 CB HIS T 96 -16.491 8.349 6.391 1.00 0.00 C ATOM 1484 CG HIS T 96 -17.830 7.686 6.307 1.00 0.00 C ATOM 1485 ND1 HIS T 96 -18.857 8.162 5.520 1.00 0.00 N ATOM 1486 CD2 HIS T 96 -18.310 6.576 6.917 1.00 0.00 C ATOM 1487 CE1 HIS T 96 -19.911 7.374 5.649 1.00 0.00 C ATOM 1488 NE2 HIS T 96 -19.605 6.406 6.492 1.00 0.00 N ATOM 0 H HIS T 96 -13.927 8.908 6.524 1.00 0.00 H new ATOM 0 HA HIS T 96 -15.652 6.718 7.503 1.00 0.00 H new ATOM 0 HB2 HIS T 96 -16.521 9.113 7.168 1.00 0.00 H new ATOM 0 HB3 HIS T 96 -16.287 8.859 5.450 1.00 0.00 H new ATOM 0 HD2 HIS T 96 -17.774 5.943 7.609 1.00 0.00 H new ATOM 0 HE1 HIS T 96 -20.860 7.501 5.150 1.00 0.00 H new ATOM 0 HE2 HIS T 96 -20.229 5.653 6.781 1.00 0.00 H new ATOM 1497 N ALA T 97 -14.071 6.983 4.669 1.00 0.00 N ATOM 1498 CA ALA T 97 -13.665 6.279 3.456 1.00 0.00 C ATOM 1499 C ALA T 97 -14.816 5.467 2.871 1.00 0.00 C ATOM 1500 O ALA T 97 -14.809 4.237 2.922 1.00 0.00 O ATOM 1501 CB ALA T 97 -12.471 5.380 3.744 1.00 0.00 C ATOM 0 H ALA T 97 -13.547 7.839 4.850 1.00 0.00 H new ATOM 0 HA ALA T 97 -13.376 7.025 2.715 1.00 0.00 H new ATOM 0 HB1 ALA T 97 -12.178 4.861 2.832 1.00 0.00 H new ATOM 0 HB2 ALA T 97 -11.638 5.985 4.101 1.00 0.00 H new ATOM 0 HB3 ALA T 97 -12.741 4.649 4.506 1.00 0.00 H new ATOM 1507 N LYS T 98 -15.802 6.163 2.316 1.00 0.00 N ATOM 1508 CA LYS T 98 -16.961 5.506 1.720 1.00 0.00 C ATOM 1509 C LYS T 98 -16.769 5.321 0.219 1.00 0.00 C ATOM 1510 O LYS T 98 -16.083 6.164 -0.398 1.00 0.00 O ATOM 1511 CB LYS T 98 -18.228 6.320 1.988 1.00 0.00 C ATOM 1512 CG LYS T 98 -19.472 5.465 2.160 1.00 0.00 C ATOM 1513 CD LYS T 98 -20.208 5.278 0.843 1.00 0.00 C ATOM 1514 CE LYS T 98 -21.715 5.297 1.038 1.00 0.00 C ATOM 1515 NZ LYS T 98 -22.386 6.222 0.084 1.00 0.00 N ATOM 1516 OXT LYS T 98 -17.307 4.336 -0.329 1.00 0.00 O ATOM 0 H LYS T 98 -15.823 7.182 2.266 1.00 0.00 H new ATOM 0 HA LYS T 98 -17.066 4.523 2.178 1.00 0.00 H new ATOM 0 HB2 LYS T 98 -18.082 6.920 2.886 1.00 0.00 H new ATOM 0 HB3 LYS T 98 -18.385 7.015 1.163 1.00 0.00 H new ATOM 0 HG2 LYS T 98 -19.192 4.492 2.563 1.00 0.00 H new ATOM 0 HG3 LYS T 98 -20.137 5.931 2.886 1.00 0.00 H new ATOM 0 HD2 LYS T 98 -19.920 6.068 0.149 1.00 0.00 H new ATOM 0 HD3 LYS T 98 -19.911 4.332 0.390 1.00 0.00 H new ATOM 0 HE2 LYS T 98 -22.111 4.290 0.907 1.00 0.00 H new ATOM 0 HE3 LYS T 98 -21.945 5.599 2.060 1.00 0.00 H new ATOM 0 HZ1 LYS T 98 -23.413 6.206 0.249 1.00 0.00 H new ATOM 0 HZ2 LYS T 98 -22.027 7.188 0.226 1.00 0.00 H new ATOM 0 HZ3 LYS T 98 -22.188 5.919 -0.891 1.00 0.00 H new TER 1530 LYS T 98