USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 267 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 13 MET CE :methyl 171:sc= 0 (180deg=0) USER MOD Set 1.2: A 17 ASN : amide:sc= -1.89 K(o=-1.9,f=-2.5!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.51) USER MOD Single : A 9 TYR OH : rot 51:sc= 0.254 USER MOD Single : A 10 LYS NZ :NH3+ -161:sc= -0.0131 (180deg=-0.199) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0232 K(o=-0.023,f=-2.2) USER MOD Single : A 24 ASN :FLIP amide:sc= -1.43 F(o=-2.1,f=-1.4) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0.0091) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.018 -0.211 -0.250 1.00 71.42 N ATOM 2 CA LYS A 1 1.830 -0.248 -1.460 1.00 62.25 C ATOM 3 C LYS A 1 2.855 0.882 -1.463 1.00 15.11 C ATOM 4 O LYS A 1 2.629 1.936 -2.058 1.00 44.00 O ATOM 5 CB LYS A 1 0.939 -0.146 -2.701 1.00 24.13 C ATOM 6 CG LYS A 1 0.924 -1.409 -3.544 1.00 71.21 C ATOM 7 CD LYS A 1 -0.288 -2.271 -3.235 1.00 35.43 C ATOM 8 CE LYS A 1 -1.536 -1.750 -3.932 1.00 3.12 C ATOM 9 NZ LYS A 1 -2.780 -2.178 -3.235 1.00 74.45 N ATOM 0 H1 LYS A 1 0.328 -0.989 -0.271 1.00 71.42 H new ATOM 0 H2 LYS A 1 1.632 -0.315 0.583 1.00 71.42 H new ATOM 0 H3 LYS A 1 0.514 0.697 -0.198 1.00 71.42 H new ATOM 0 HA LYS A 1 2.363 -1.198 -1.480 1.00 62.25 H new ATOM 0 HB2 LYS A 1 -0.080 0.085 -2.389 1.00 24.13 H new ATOM 0 HB3 LYS A 1 1.280 0.687 -3.316 1.00 24.13 H new ATOM 0 HG2 LYS A 1 0.922 -1.142 -4.601 1.00 71.21 H new ATOM 0 HG3 LYS A 1 1.834 -1.980 -3.361 1.00 71.21 H new ATOM 0 HD2 LYS A 1 -0.096 -3.297 -3.550 1.00 35.43 H new ATOM 0 HD3 LYS A 1 -0.454 -2.294 -2.158 1.00 35.43 H new ATOM 0 HE2 LYS A 1 -1.500 -0.661 -3.975 1.00 3.12 H new ATOM 0 HE3 LYS A 1 -1.554 -2.109 -4.961 1.00 3.12 H new ATOM 0 HZ1 LYS A 1 -3.608 -1.803 -3.741 1.00 74.45 H new ATOM 0 HZ2 LYS A 1 -2.827 -3.217 -3.216 1.00 74.45 H new ATOM 0 HZ3 LYS A 1 -2.775 -1.814 -2.261 1.00 74.45 H new ATOM 23 N VAL A 2 3.981 0.655 -0.795 1.00 1.22 N ATOM 24 CA VAL A 2 5.041 1.654 -0.722 1.00 62.43 C ATOM 25 C VAL A 2 6.395 1.000 -0.471 1.00 3.03 C ATOM 26 O VAL A 2 7.408 1.406 -1.040 1.00 13.04 O ATOM 27 CB VAL A 2 4.766 2.684 0.389 1.00 45.32 C ATOM 28 CG1 VAL A 2 5.981 3.574 0.604 1.00 1.21 C ATOM 29 CG2 VAL A 2 3.539 3.516 0.051 1.00 14.43 C ATOM 0 H VAL A 2 4.183 -0.212 -0.297 1.00 1.22 H new ATOM 0 HA VAL A 2 5.061 2.166 -1.684 1.00 62.43 H new ATOM 0 HB VAL A 2 4.569 2.148 1.317 1.00 45.32 H new ATOM 0 HG11 VAL A 2 5.768 4.296 1.393 1.00 1.21 H new ATOM 0 HG12 VAL A 2 6.834 2.961 0.894 1.00 1.21 H new ATOM 0 HG13 VAL A 2 6.212 4.104 -0.320 1.00 1.21 H new ATOM 0 HG21 VAL A 2 3.359 4.239 0.847 1.00 14.43 H new ATOM 0 HG22 VAL A 2 3.705 4.044 -0.888 1.00 14.43 H new ATOM 0 HG23 VAL A 2 2.672 2.862 -0.048 1.00 14.43 H new ATOM 39 N GLY A 3 6.406 -0.016 0.387 1.00 72.44 N ATOM 40 CA GLY A 3 7.641 -0.711 0.699 1.00 42.13 C ATOM 41 C GLY A 3 8.090 -1.628 -0.422 1.00 11.12 C ATOM 42 O GLY A 3 9.211 -2.136 -0.407 1.00 3.22 O ATOM 0 H GLY A 3 5.581 -0.370 0.872 1.00 72.44 H new ATOM 0 HA2 GLY A 3 8.424 0.020 0.902 1.00 42.13 H new ATOM 0 HA3 GLY A 3 7.506 -1.295 1.610 1.00 42.13 H new ATOM 46 N PHE A 4 7.212 -1.842 -1.396 1.00 70.32 N ATOM 47 CA PHE A 4 7.523 -2.707 -2.529 1.00 12.14 C ATOM 48 C PHE A 4 8.235 -1.927 -3.629 1.00 43.53 C ATOM 49 O PHE A 4 9.183 -2.419 -4.241 1.00 63.32 O ATOM 50 CB PHE A 4 6.243 -3.338 -3.082 1.00 24.13 C ATOM 51 CG PHE A 4 5.252 -3.714 -2.018 1.00 30.01 C ATOM 52 CD1 PHE A 4 4.414 -2.759 -1.465 1.00 21.34 C ATOM 53 CD2 PHE A 4 5.158 -5.022 -1.571 1.00 23.13 C ATOM 54 CE1 PHE A 4 3.500 -3.102 -0.486 1.00 3.13 C ATOM 55 CE2 PHE A 4 4.246 -5.371 -0.592 1.00 44.35 C ATOM 56 CZ PHE A 4 3.417 -4.409 -0.048 1.00 62.24 C ATOM 0 H PHE A 4 6.280 -1.429 -1.424 1.00 70.32 H new ATOM 0 HA PHE A 4 8.188 -3.497 -2.180 1.00 12.14 H new ATOM 0 HB2 PHE A 4 5.773 -2.640 -3.775 1.00 24.13 H new ATOM 0 HB3 PHE A 4 6.504 -4.228 -3.655 1.00 24.13 H new ATOM 0 HD1 PHE A 4 4.476 -1.735 -1.803 1.00 21.34 H new ATOM 0 HD2 PHE A 4 5.805 -5.778 -1.992 1.00 23.13 H new ATOM 0 HE1 PHE A 4 2.851 -2.348 -0.064 1.00 3.13 H new ATOM 0 HE2 PHE A 4 4.182 -6.394 -0.253 1.00 44.35 H new ATOM 0 HZ PHE A 4 2.705 -4.679 0.718 1.00 62.24 H new ATOM 66 N PHE A 5 7.771 -0.706 -3.876 1.00 44.11 N ATOM 67 CA PHE A 5 8.362 0.143 -4.904 1.00 3.22 C ATOM 68 C PHE A 5 9.758 0.604 -4.493 1.00 32.52 C ATOM 69 O PHE A 5 10.637 0.788 -5.335 1.00 72.10 O ATOM 70 CB PHE A 5 7.469 1.358 -5.168 1.00 25.55 C ATOM 71 CG PHE A 5 6.025 1.005 -5.377 1.00 34.00 C ATOM 72 CD1 PHE A 5 5.187 0.787 -4.295 1.00 0.00 C ATOM 73 CD2 PHE A 5 5.504 0.891 -6.656 1.00 40.00 C ATOM 74 CE1 PHE A 5 3.857 0.463 -4.484 1.00 73.22 C ATOM 75 CE2 PHE A 5 4.175 0.568 -6.851 1.00 74.44 C ATOM 76 CZ PHE A 5 3.350 0.352 -5.764 1.00 63.02 C ATOM 0 H PHE A 5 6.988 -0.283 -3.378 1.00 44.11 H new ATOM 0 HA PHE A 5 8.447 -0.443 -5.819 1.00 3.22 H new ATOM 0 HB2 PHE A 5 7.548 2.047 -4.327 1.00 25.55 H new ATOM 0 HB3 PHE A 5 7.837 1.885 -6.048 1.00 25.55 H new ATOM 0 HD1 PHE A 5 5.578 0.871 -3.292 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.144 1.057 -7.510 1.00 40.00 H new ATOM 0 HE1 PHE A 5 3.215 0.297 -3.632 1.00 73.22 H new ATOM 0 HE2 PHE A 5 3.781 0.484 -7.853 1.00 74.44 H new ATOM 0 HZ PHE A 5 2.311 0.097 -5.915 1.00 63.02 H new ATOM 86 N LYS A 6 9.954 0.788 -3.192 1.00 0.13 N ATOM 87 CA LYS A 6 11.242 1.226 -2.666 1.00 54.22 C ATOM 88 C LYS A 6 12.362 0.299 -3.128 1.00 14.31 C ATOM 89 O LYS A 6 13.493 0.736 -3.341 1.00 72.33 O ATOM 90 CB LYS A 6 11.202 1.273 -1.137 1.00 42.41 C ATOM 91 CG LYS A 6 11.486 -0.066 -0.480 1.00 21.04 C ATOM 92 CD LYS A 6 10.985 -0.101 0.955 1.00 44.54 C ATOM 93 CE LYS A 6 12.124 0.079 1.947 1.00 40.01 C ATOM 94 NZ LYS A 6 11.832 1.152 2.938 1.00 62.31 N ATOM 0 H LYS A 6 9.237 0.641 -2.482 1.00 0.13 H new ATOM 0 HA LYS A 6 11.442 2.227 -3.049 1.00 54.22 H new ATOM 0 HB2 LYS A 6 11.931 2.003 -0.785 1.00 42.41 H new ATOM 0 HB3 LYS A 6 10.220 1.624 -0.818 1.00 42.41 H new ATOM 0 HG2 LYS A 6 11.009 -0.862 -1.052 1.00 21.04 H new ATOM 0 HG3 LYS A 6 12.558 -0.260 -0.497 1.00 21.04 H new ATOM 0 HD2 LYS A 6 10.245 0.685 1.102 1.00 44.54 H new ATOM 0 HD3 LYS A 6 10.483 -1.050 1.143 1.00 44.54 H new ATOM 0 HE2 LYS A 6 12.301 -0.860 2.471 1.00 40.01 H new ATOM 0 HE3 LYS A 6 13.040 0.322 1.408 1.00 40.01 H new ATOM 0 HZ1 LYS A 6 12.632 1.244 3.596 1.00 62.31 H new ATOM 0 HZ2 LYS A 6 11.688 2.054 2.441 1.00 62.31 H new ATOM 0 HZ3 LYS A 6 10.972 0.909 3.470 1.00 62.31 H new ATOM 108 N ARG A 7 12.039 -0.981 -3.281 1.00 53.34 N ATOM 109 CA ARG A 7 13.018 -1.969 -3.718 1.00 51.43 C ATOM 110 C ARG A 7 12.714 -2.445 -5.136 1.00 5.21 C ATOM 111 O ARG A 7 13.578 -3.004 -5.811 1.00 24.14 O ATOM 112 CB ARG A 7 13.033 -3.161 -2.760 1.00 71.35 C ATOM 113 CG ARG A 7 11.705 -3.897 -2.683 1.00 61.01 C ATOM 114 CD ARG A 7 11.619 -5.001 -3.725 1.00 75.21 C ATOM 115 NE ARG A 7 11.074 -6.237 -3.169 1.00 24.10 N ATOM 116 CZ ARG A 7 11.791 -7.101 -2.458 1.00 14.11 C ATOM 117 NH1 ARG A 7 13.073 -6.864 -2.217 1.00 72.34 N ATOM 118 NH2 ARG A 7 11.224 -8.204 -1.985 1.00 41.23 N ATOM 0 H ARG A 7 11.107 -1.358 -3.109 1.00 53.34 H new ATOM 0 HA ARG A 7 14.000 -1.497 -3.715 1.00 51.43 H new ATOM 0 HB2 ARG A 7 13.808 -3.860 -3.075 1.00 71.35 H new ATOM 0 HB3 ARG A 7 13.304 -2.812 -1.763 1.00 71.35 H new ATOM 0 HG2 ARG A 7 11.582 -4.324 -1.688 1.00 61.01 H new ATOM 0 HG3 ARG A 7 10.888 -3.191 -2.831 1.00 61.01 H new ATOM 0 HD2 ARG A 7 10.993 -4.669 -4.554 1.00 75.21 H new ATOM 0 HD3 ARG A 7 12.612 -5.193 -4.132 1.00 75.21 H new ATOM 0 HE ARG A 7 10.090 -6.448 -3.335 1.00 24.10 H new ATOM 0 HH11 ARG A 7 13.512 -6.017 -2.578 1.00 72.34 H new ATOM 0 HH12 ARG A 7 13.621 -7.529 -1.671 1.00 72.34 H new ATOM 0 HH21 ARG A 7 10.238 -8.389 -2.167 1.00 41.23 H new ATOM 0 HH22 ARG A 7 11.775 -8.867 -1.439 1.00 41.23 H new ATOM 132 N GLN A 8 11.482 -2.219 -5.579 1.00 41.04 N ATOM 133 CA GLN A 8 11.065 -2.626 -6.916 1.00 21.30 C ATOM 134 C GLN A 8 11.307 -1.509 -7.926 1.00 23.32 C ATOM 135 O GLN A 8 11.825 -1.747 -9.017 1.00 62.02 O ATOM 136 CB GLN A 8 9.586 -3.017 -6.915 1.00 23.12 C ATOM 137 CG GLN A 8 9.118 -3.631 -8.224 1.00 63.24 C ATOM 138 CD GLN A 8 8.518 -2.607 -9.167 1.00 72.34 C ATOM 139 OE1 GLN A 8 7.653 -1.821 -8.780 1.00 30.24 O ATOM 140 NE2 GLN A 8 8.974 -2.611 -10.414 1.00 63.13 N ATOM 0 H GLN A 8 10.755 -1.757 -5.033 1.00 41.04 H new ATOM 0 HA GLN A 8 11.662 -3.490 -7.208 1.00 21.30 H new ATOM 0 HB2 GLN A 8 9.407 -3.726 -6.106 1.00 23.12 H new ATOM 0 HB3 GLN A 8 8.985 -2.133 -6.703 1.00 23.12 H new ATOM 0 HG2 GLN A 8 9.960 -4.120 -8.713 1.00 63.24 H new ATOM 0 HG3 GLN A 8 8.378 -4.404 -8.015 1.00 63.24 H new ATOM 0 HE21 GLN A 8 9.692 -3.280 -10.692 1.00 63.13 H new ATOM 0 HE22 GLN A 8 8.607 -1.945 -11.094 1.00 63.13 H new ATOM 149 N TYR A 9 10.929 -0.291 -7.555 1.00 21.22 N ATOM 150 CA TYR A 9 11.103 0.862 -8.429 1.00 54.54 C ATOM 151 C TYR A 9 12.582 1.167 -8.643 1.00 23.23 C ATOM 152 O TYR A 9 13.004 1.515 -9.746 1.00 5.35 O ATOM 153 CB TYR A 9 10.399 2.086 -7.840 1.00 54.03 C ATOM 154 CG TYR A 9 10.525 3.327 -8.695 1.00 14.02 C ATOM 155 CD1 TYR A 9 11.738 3.995 -8.809 1.00 53.02 C ATOM 156 CD2 TYR A 9 9.431 3.832 -9.387 1.00 11.23 C ATOM 157 CE1 TYR A 9 11.858 5.130 -9.588 1.00 74.42 C ATOM 158 CE2 TYR A 9 9.542 4.965 -10.169 1.00 51.21 C ATOM 159 CZ TYR A 9 10.757 5.610 -10.267 1.00 1.55 C ATOM 160 OH TYR A 9 10.871 6.740 -11.044 1.00 3.32 O ATOM 0 H TYR A 9 10.500 -0.077 -6.655 1.00 21.22 H new ATOM 0 HA TYR A 9 10.657 0.623 -9.394 1.00 54.54 H new ATOM 0 HB2 TYR A 9 9.343 1.856 -7.702 1.00 54.03 H new ATOM 0 HB3 TYR A 9 10.812 2.292 -6.852 1.00 54.03 H new ATOM 0 HD1 TYR A 9 12.602 3.621 -8.280 1.00 53.02 H new ATOM 0 HD2 TYR A 9 8.478 3.330 -9.312 1.00 11.23 H new ATOM 0 HE1 TYR A 9 12.808 5.638 -9.665 1.00 74.42 H new ATOM 0 HE2 TYR A 9 8.682 5.344 -10.701 1.00 51.21 H new ATOM 0 HH TYR A 9 11.632 6.642 -11.654 1.00 3.32 H new ATOM 170 N LYS A 10 13.367 1.032 -7.579 1.00 35.03 N ATOM 171 CA LYS A 10 14.800 1.290 -7.647 1.00 20.24 C ATOM 172 C LYS A 10 15.502 0.240 -8.503 1.00 13.33 C ATOM 173 O LYS A 10 16.483 0.537 -9.183 1.00 53.15 O ATOM 174 CB LYS A 10 15.404 1.303 -6.240 1.00 52.14 C ATOM 175 CG LYS A 10 15.724 -0.081 -5.703 1.00 11.12 C ATOM 176 CD LYS A 10 16.171 -0.026 -4.252 1.00 11.24 C ATOM 177 CE LYS A 10 17.681 0.115 -4.139 1.00 22.14 C ATOM 178 NZ LYS A 10 18.386 -1.137 -4.532 1.00 11.41 N ATOM 0 H LYS A 10 13.034 0.745 -6.659 1.00 35.03 H new ATOM 0 HA LYS A 10 14.947 2.267 -8.108 1.00 20.24 H new ATOM 0 HB2 LYS A 10 16.316 1.899 -6.251 1.00 52.14 H new ATOM 0 HB3 LYS A 10 14.709 1.796 -5.560 1.00 52.14 H new ATOM 0 HG2 LYS A 10 14.844 -0.718 -5.790 1.00 11.12 H new ATOM 0 HG3 LYS A 10 16.508 -0.535 -6.309 1.00 11.12 H new ATOM 0 HD2 LYS A 10 15.688 0.814 -3.753 1.00 11.24 H new ATOM 0 HD3 LYS A 10 15.849 -0.931 -3.737 1.00 11.24 H new ATOM 0 HE2 LYS A 10 18.018 0.936 -4.773 1.00 22.14 H new ATOM 0 HE3 LYS A 10 17.946 0.375 -3.114 1.00 22.14 H new ATOM 0 HZ1 LYS A 10 19.353 -1.126 -4.149 1.00 11.41 H new ATOM 0 HZ2 LYS A 10 17.873 -1.958 -4.153 1.00 11.41 H new ATOM 0 HZ3 LYS A 10 18.425 -1.202 -5.569 1.00 11.41 H new ATOM 192 N GLU A 11 14.991 -0.987 -8.464 1.00 0.52 N ATOM 193 CA GLU A 11 15.570 -2.079 -9.237 1.00 54.12 C ATOM 194 C GLU A 11 15.093 -2.032 -10.686 1.00 52.00 C ATOM 195 O GLU A 11 15.772 -2.518 -11.590 1.00 10.21 O ATOM 196 CB GLU A 11 15.203 -3.426 -8.612 1.00 21.34 C ATOM 197 CG GLU A 11 14.005 -4.095 -9.265 1.00 2.02 C ATOM 198 CD GLU A 11 14.387 -4.915 -10.482 1.00 13.01 C ATOM 199 OE1 GLU A 11 15.041 -5.964 -10.310 1.00 31.52 O ATOM 200 OE2 GLU A 11 14.030 -4.506 -11.607 1.00 62.51 O ATOM 0 H GLU A 11 14.178 -1.249 -7.906 1.00 0.52 H new ATOM 0 HA GLU A 11 16.654 -1.964 -9.225 1.00 54.12 H new ATOM 0 HB2 GLU A 11 16.062 -4.094 -8.678 1.00 21.34 H new ATOM 0 HB3 GLU A 11 14.994 -3.280 -7.552 1.00 21.34 H new ATOM 0 HG2 GLU A 11 13.512 -4.740 -8.537 1.00 2.02 H new ATOM 0 HG3 GLU A 11 13.282 -3.333 -9.557 1.00 2.02 H new ATOM 207 N MET A 12 13.920 -1.444 -10.898 1.00 31.00 N ATOM 208 CA MET A 12 13.352 -1.333 -12.237 1.00 0.14 C ATOM 209 C MET A 12 13.907 -0.112 -12.963 1.00 13.52 C ATOM 210 O MET A 12 13.858 -0.033 -14.190 1.00 5.21 O ATOM 211 CB MET A 12 11.826 -1.247 -12.161 1.00 44.50 C ATOM 212 CG MET A 12 11.302 0.178 -12.074 1.00 31.52 C ATOM 213 SD MET A 12 10.846 0.850 -13.684 1.00 23.34 S ATOM 214 CE MET A 12 9.224 1.518 -13.325 1.00 33.14 C ATOM 0 H MET A 12 13.345 -1.037 -10.160 1.00 31.00 H new ATOM 0 HA MET A 12 13.631 -2.225 -12.798 1.00 0.14 H new ATOM 0 HB2 MET A 12 11.399 -1.730 -13.040 1.00 44.50 H new ATOM 0 HB3 MET A 12 11.481 -1.806 -11.291 1.00 44.50 H new ATOM 0 HG2 MET A 12 10.434 0.202 -11.415 1.00 31.52 H new ATOM 0 HG3 MET A 12 12.063 0.814 -11.622 1.00 31.52 H new ATOM 0 HE1 MET A 12 8.809 1.970 -14.226 1.00 33.14 H new ATOM 0 HE2 MET A 12 8.568 0.717 -12.985 1.00 33.14 H new ATOM 0 HE3 MET A 12 9.307 2.275 -12.545 1.00 33.14 H new ATOM 224 N MET A 13 14.433 0.839 -12.197 1.00 34.43 N ATOM 225 CA MET A 13 14.997 2.056 -12.769 1.00 21.45 C ATOM 226 C MET A 13 16.462 1.852 -13.143 1.00 32.22 C ATOM 227 O MET A 13 16.936 2.390 -14.143 1.00 23.25 O ATOM 228 CB MET A 13 14.868 3.216 -11.781 1.00 11.55 C ATOM 229 CG MET A 13 15.161 4.575 -12.397 1.00 70.30 C ATOM 230 SD MET A 13 13.667 5.537 -12.699 1.00 14.51 S ATOM 231 CE MET A 13 13.668 5.613 -14.488 1.00 60.44 C ATOM 0 H MET A 13 14.480 0.790 -11.179 1.00 34.43 H new ATOM 0 HA MET A 13 14.439 2.295 -13.674 1.00 21.45 H new ATOM 0 HB2 MET A 13 13.858 3.222 -11.371 1.00 11.55 H new ATOM 0 HB3 MET A 13 15.550 3.050 -10.947 1.00 11.55 H new ATOM 0 HG2 MET A 13 15.821 5.135 -11.735 1.00 70.30 H new ATOM 0 HG3 MET A 13 15.695 4.436 -13.337 1.00 70.30 H new ATOM 0 HE1 MET A 13 12.725 6.036 -14.835 1.00 60.44 H new ATOM 0 HE2 MET A 13 14.493 6.240 -14.825 1.00 60.44 H new ATOM 0 HE3 MET A 13 13.786 4.609 -14.895 1.00 60.44 H new ATOM 241 N GLU A 14 17.172 1.072 -12.333 1.00 51.15 N ATOM 242 CA GLU A 14 18.583 0.799 -12.581 1.00 11.33 C ATOM 243 C GLU A 14 18.751 -0.229 -13.696 1.00 1.41 C ATOM 244 O GLU A 14 19.780 -0.264 -14.371 1.00 35.15 O ATOM 245 CB GLU A 14 19.260 0.298 -11.303 1.00 74.44 C ATOM 246 CG GLU A 14 20.296 1.258 -10.746 1.00 44.51 C ATOM 247 CD GLU A 14 20.983 0.720 -9.506 1.00 4.50 C ATOM 248 OE1 GLU A 14 20.930 -0.508 -9.285 1.00 0.54 O ATOM 249 OE2 GLU A 14 21.574 1.527 -8.757 1.00 72.41 O ATOM 0 H GLU A 14 16.794 0.619 -11.501 1.00 51.15 H new ATOM 0 HA GLU A 14 19.057 1.729 -12.894 1.00 11.33 H new ATOM 0 HB2 GLU A 14 18.498 0.119 -10.544 1.00 74.44 H new ATOM 0 HB3 GLU A 14 19.738 -0.660 -11.507 1.00 74.44 H new ATOM 0 HG2 GLU A 14 21.044 1.463 -11.511 1.00 44.51 H new ATOM 0 HG3 GLU A 14 19.816 2.207 -10.508 1.00 44.51 H new ATOM 256 N GLU A 15 17.733 -1.063 -13.882 1.00 41.02 N ATOM 257 CA GLU A 15 17.769 -2.092 -14.914 1.00 61.43 C ATOM 258 C GLU A 15 17.455 -1.500 -16.285 1.00 15.10 C ATOM 259 O GLU A 15 17.960 -1.966 -17.305 1.00 63.13 O ATOM 260 CB GLU A 15 16.774 -3.208 -14.588 1.00 52.12 C ATOM 261 CG GLU A 15 15.326 -2.825 -14.843 1.00 74.21 C ATOM 262 CD GLU A 15 14.832 -3.281 -16.203 1.00 4.14 C ATOM 263 OE1 GLU A 15 14.402 -4.447 -16.318 1.00 31.31 O ATOM 264 OE2 GLU A 15 14.877 -2.470 -17.152 1.00 31.15 O ATOM 0 H GLU A 15 16.874 -1.046 -13.332 1.00 41.02 H new ATOM 0 HA GLU A 15 18.776 -2.509 -14.940 1.00 61.43 H new ATOM 0 HB2 GLU A 15 17.019 -4.087 -15.184 1.00 52.12 H new ATOM 0 HB3 GLU A 15 16.888 -3.490 -13.541 1.00 52.12 H new ATOM 0 HG2 GLU A 15 14.697 -3.261 -14.067 1.00 74.21 H new ATOM 0 HG3 GLU A 15 15.222 -1.743 -14.767 1.00 74.21 H new ATOM 271 N ALA A 16 16.615 -0.470 -16.299 1.00 42.51 N ATOM 272 CA ALA A 16 16.234 0.188 -17.543 1.00 12.01 C ATOM 273 C ALA A 16 17.127 1.392 -17.824 1.00 30.42 C ATOM 274 O ALA A 16 17.092 1.961 -18.914 1.00 10.35 O ATOM 275 CB ALA A 16 14.774 0.613 -17.489 1.00 72.21 C ATOM 0 H ALA A 16 16.186 -0.073 -15.463 1.00 42.51 H new ATOM 0 HA ALA A 16 16.364 -0.525 -18.357 1.00 12.01 H new ATOM 0 HB1 ALA A 16 14.503 1.103 -18.424 1.00 72.21 H new ATOM 0 HB2 ALA A 16 14.145 -0.265 -17.344 1.00 72.21 H new ATOM 0 HB3 ALA A 16 14.627 1.306 -16.661 1.00 72.21 H new ATOM 281 N ASN A 17 17.926 1.774 -16.833 1.00 21.21 N ATOM 282 CA ASN A 17 18.828 2.911 -16.974 1.00 11.33 C ATOM 283 C ASN A 17 20.145 2.485 -17.616 1.00 54.40 C ATOM 284 O ASN A 17 20.962 3.323 -17.995 1.00 2.02 O ATOM 285 CB ASN A 17 19.096 3.548 -15.609 1.00 10.24 C ATOM 286 CG ASN A 17 18.176 4.720 -15.327 1.00 34.05 C ATOM 287 OD1 ASN A 17 18.549 5.663 -14.628 1.00 72.32 O ATOM 288 ND2 ASN A 17 16.965 4.665 -15.870 1.00 1.51 N ATOM 0 H ASN A 17 17.967 1.313 -15.924 1.00 21.21 H new ATOM 0 HA ASN A 17 18.349 3.645 -17.622 1.00 11.33 H new ATOM 0 HB2 ASN A 17 18.971 2.796 -14.830 1.00 10.24 H new ATOM 0 HB3 ASN A 17 20.132 3.884 -15.565 1.00 10.24 H new ATOM 0 HD21 ASN A 17 16.301 5.424 -15.715 1.00 1.51 H new ATOM 0 HD22 ASN A 17 16.699 3.864 -16.442 1.00 1.51 H new ATOM 295 N GLY A 18 20.342 1.176 -17.736 1.00 23.02 N ATOM 296 CA GLY A 18 21.561 0.661 -18.333 1.00 54.30 C ATOM 297 C GLY A 18 22.343 -0.224 -17.383 1.00 51.12 C ATOM 298 O GLY A 18 23.567 -0.124 -17.298 1.00 75.24 O ATOM 0 H GLY A 18 19.680 0.463 -17.431 1.00 23.02 H new ATOM 0 HA2 GLY A 18 21.311 0.094 -19.230 1.00 54.30 H new ATOM 0 HA3 GLY A 18 22.188 1.495 -18.647 1.00 54.30 H new ATOM 302 N GLN A 19 21.635 -1.091 -16.666 1.00 40.22 N ATOM 303 CA GLN A 19 22.272 -1.995 -15.716 1.00 34.11 C ATOM 304 C GLN A 19 23.481 -2.681 -16.343 1.00 52.22 C ATOM 305 O GLN A 19 24.405 -3.094 -15.642 1.00 41.31 O ATOM 306 CB GLN A 19 21.271 -3.045 -15.229 1.00 53.44 C ATOM 307 CG GLN A 19 21.926 -4.294 -14.663 1.00 61.05 C ATOM 308 CD GLN A 19 21.019 -5.049 -13.713 1.00 33.44 C ATOM 309 OE1 GLN A 19 19.835 -4.736 -13.586 1.00 34.41 O ATOM 310 NE2 GLN A 19 21.570 -6.051 -13.038 1.00 24.13 N ATOM 0 H GLN A 19 20.621 -1.186 -16.725 1.00 40.22 H new ATOM 0 HA GLN A 19 22.613 -1.405 -14.865 1.00 34.11 H new ATOM 0 HB2 GLN A 19 20.634 -2.600 -14.464 1.00 53.44 H new ATOM 0 HB3 GLN A 19 20.623 -3.329 -16.058 1.00 53.44 H new ATOM 0 HG2 GLN A 19 22.215 -4.951 -15.483 1.00 61.05 H new ATOM 0 HG3 GLN A 19 22.841 -4.015 -14.141 1.00 61.05 H new ATOM 0 HE21 GLN A 19 22.555 -6.276 -13.174 1.00 24.13 H new ATOM 0 HE22 GLN A 19 21.008 -6.595 -12.384 1.00 24.13 H new ATOM 319 N ILE A 20 23.467 -2.799 -17.667 1.00 3.25 N ATOM 320 CA ILE A 20 24.563 -3.434 -18.388 1.00 4.14 C ATOM 321 C ILE A 20 25.187 -2.475 -19.396 1.00 0.33 C ATOM 322 O ILE A 20 26.250 -2.748 -19.953 1.00 33.23 O ATOM 323 CB ILE A 20 24.093 -4.701 -19.125 1.00 75.31 C ATOM 324 CG1 ILE A 20 22.878 -5.307 -18.419 1.00 54.12 C ATOM 325 CG2 ILE A 20 25.223 -5.716 -19.210 1.00 1.24 C ATOM 326 CD1 ILE A 20 21.560 -4.718 -18.872 1.00 10.44 C ATOM 0 H ILE A 20 22.709 -2.463 -18.261 1.00 3.25 H new ATOM 0 HA ILE A 20 25.310 -3.712 -17.644 1.00 4.14 H new ATOM 0 HB ILE A 20 23.802 -4.426 -20.139 1.00 75.31 H new ATOM 0 HG12 ILE A 20 22.865 -6.383 -18.594 1.00 54.12 H new ATOM 0 HG13 ILE A 20 22.982 -5.160 -17.344 1.00 54.12 H new ATOM 0 HG21 ILE A 20 24.874 -6.606 -19.734 1.00 1.24 H new ATOM 0 HG22 ILE A 20 26.063 -5.281 -19.753 1.00 1.24 H new ATOM 0 HG23 ILE A 20 25.543 -5.989 -18.205 1.00 1.24 H new ATOM 0 HD11 ILE A 20 20.743 -5.194 -18.330 1.00 10.44 H new ATOM 0 HD12 ILE A 20 21.552 -3.647 -18.672 1.00 10.44 H new ATOM 0 HD13 ILE A 20 21.434 -4.888 -19.941 1.00 10.44 H new ATOM 338 N ALA A 21 24.519 -1.349 -19.624 1.00 43.50 N ATOM 339 CA ALA A 21 25.010 -0.346 -20.562 1.00 32.40 C ATOM 340 C ALA A 21 25.549 0.876 -19.827 1.00 25.10 C ATOM 341 O ALA A 21 25.302 1.074 -18.637 1.00 41.13 O ATOM 342 CB ALA A 21 23.905 0.060 -21.526 1.00 12.14 C ATOM 0 H ALA A 21 23.637 -1.108 -19.172 1.00 43.50 H new ATOM 0 HA ALA A 21 25.830 -0.786 -21.130 1.00 32.40 H new ATOM 0 HB1 ALA A 21 24.285 0.809 -22.221 1.00 12.14 H new ATOM 0 HB2 ALA A 21 23.569 -0.814 -22.083 1.00 12.14 H new ATOM 0 HB3 ALA A 21 23.068 0.476 -20.966 1.00 12.14 H new ATOM 348 N PRO A 22 26.305 1.716 -20.550 1.00 24.25 N ATOM 349 CA PRO A 22 26.896 2.933 -19.986 1.00 1.32 C ATOM 350 C PRO A 22 25.847 3.994 -19.669 1.00 70.34 C ATOM 351 O PRO A 22 26.163 5.045 -19.114 1.00 12.13 O ATOM 352 CB PRO A 22 27.831 3.421 -21.095 1.00 62.54 C ATOM 353 CG PRO A 22 27.253 2.863 -22.350 1.00 61.20 C ATOM 354 CD PRO A 22 26.641 1.542 -21.973 1.00 3.03 C ATOM 0 HA PRO A 22 27.400 2.740 -19.039 1.00 1.32 H new ATOM 0 HB2 PRO A 22 27.872 4.510 -21.128 1.00 62.54 H new ATOM 0 HB3 PRO A 22 28.850 3.068 -20.937 1.00 62.54 H new ATOM 0 HG2 PRO A 22 26.503 3.535 -22.767 1.00 61.20 H new ATOM 0 HG3 PRO A 22 28.023 2.733 -23.110 1.00 61.20 H new ATOM 0 HD2 PRO A 22 25.756 1.324 -22.571 1.00 3.03 H new ATOM 0 HD3 PRO A 22 27.339 0.718 -22.123 1.00 3.03 H new ATOM 362 N GLU A 23 24.598 3.710 -20.027 1.00 24.43 N ATOM 363 CA GLU A 23 23.503 4.641 -19.780 1.00 65.43 C ATOM 364 C GLU A 23 23.284 4.838 -18.283 1.00 53.22 C ATOM 365 O GLU A 23 22.863 5.907 -17.843 1.00 2.02 O ATOM 366 CB GLU A 23 22.216 4.133 -20.433 1.00 62.23 C ATOM 367 CG GLU A 23 22.079 4.526 -21.894 1.00 53.15 C ATOM 368 CD GLU A 23 21.527 5.927 -22.072 1.00 42.32 C ATOM 369 OE1 GLU A 23 20.647 6.324 -21.281 1.00 35.33 O ATOM 370 OE2 GLU A 23 21.977 6.628 -23.003 1.00 61.44 O ATOM 0 H GLU A 23 24.320 2.844 -20.488 1.00 24.43 H new ATOM 0 HA GLU A 23 23.770 5.602 -20.220 1.00 65.43 H new ATOM 0 HB2 GLU A 23 22.182 3.046 -20.353 1.00 62.23 H new ATOM 0 HB3 GLU A 23 21.360 4.520 -19.880 1.00 62.23 H new ATOM 0 HG2 GLU A 23 23.054 4.460 -22.377 1.00 53.15 H new ATOM 0 HG3 GLU A 23 21.424 3.815 -22.398 1.00 53.15 H new ATOM 377 N ASN A 24 23.571 3.799 -17.507 1.00 21.53 N ATOM 378 CA ASN A 24 23.404 3.857 -16.059 1.00 61.50 C ATOM 379 C ASN A 24 24.174 5.035 -15.469 1.00 74.45 C ATOM 380 O ASN A 24 25.397 4.990 -15.343 1.00 55.22 O ATOM 381 CB ASN A 24 23.878 2.551 -15.417 1.00 61.14 C ATOM 382 CG ASN A 24 22.859 1.978 -14.452 1.00 74.31 C ATOM 383 OD1 ASN A 24 21.721 1.543 -14.982 1.00 43.33 O flip ATOM 384 ND2 ASN A 24 23.091 1.926 -13.244 1.00 63.02 N flip ATOM 0 H ASN A 24 23.920 2.906 -17.856 1.00 21.53 H new ATOM 0 HA ASN A 24 22.344 3.995 -15.846 1.00 61.50 H new ATOM 0 HB2 ASN A 24 24.086 1.820 -16.198 1.00 61.14 H new ATOM 0 HB3 ASN A 24 24.815 2.728 -14.889 1.00 61.14 H new ATOM 0 HD21 ASN A 24 23.979 2.272 -12.880 1.00 63.02 H new ATOM 0 HD22 ASN A 24 22.395 1.537 -12.607 1.00 63.02 H new ATOM 391 N GLY A 25 23.447 6.088 -15.109 1.00 41.53 N ATOM 392 CA GLY A 25 24.078 7.264 -14.537 1.00 33.51 C ATOM 393 C GLY A 25 23.876 8.502 -15.387 1.00 62.04 C ATOM 394 O GLY A 25 24.139 9.620 -14.943 1.00 22.02 O ATOM 0 H GLY A 25 22.433 6.148 -15.203 1.00 41.53 H new ATOM 0 HA2 GLY A 25 23.673 7.441 -13.541 1.00 33.51 H new ATOM 0 HA3 GLY A 25 25.146 7.078 -14.419 1.00 33.51 H new ATOM 398 N THR A 26 23.409 8.305 -16.616 1.00 65.45 N ATOM 399 CA THR A 26 23.176 9.414 -17.533 1.00 32.34 C ATOM 400 C THR A 26 21.747 9.933 -17.415 1.00 23.44 C ATOM 401 O THR A 26 21.504 11.134 -17.520 1.00 11.44 O ATOM 402 CB THR A 26 23.441 9.002 -18.993 1.00 23.31 C ATOM 403 OG1 THR A 26 24.685 8.298 -19.085 1.00 33.41 O ATOM 404 CG2 THR A 26 23.475 10.221 -19.902 1.00 14.13 C ATOM 0 H THR A 26 23.185 7.387 -16.999 1.00 65.45 H new ATOM 0 HA THR A 26 23.872 10.205 -17.255 1.00 32.34 H new ATOM 0 HB THR A 26 22.629 8.350 -19.316 1.00 23.31 H new ATOM 0 HG1 THR A 26 24.846 8.038 -20.016 1.00 33.41 H new ATOM 0 HG21 THR A 26 23.664 9.905 -20.928 1.00 14.13 H new ATOM 0 HG22 THR A 26 22.517 10.739 -19.852 1.00 14.13 H new ATOM 0 HG23 THR A 26 24.269 10.894 -19.578 1.00 14.13 H new ATOM 412 N GLN A 27 20.807 9.019 -17.195 1.00 40.23 N ATOM 413 CA GLN A 27 19.402 9.386 -17.063 1.00 41.41 C ATOM 414 C GLN A 27 18.917 9.177 -15.632 1.00 41.14 C ATOM 415 O GLN A 27 17.769 9.477 -15.304 1.00 53.40 O ATOM 416 CB GLN A 27 18.546 8.566 -18.030 1.00 13.34 C ATOM 417 CG GLN A 27 18.140 9.329 -19.281 1.00 4.15 C ATOM 418 CD GLN A 27 17.212 8.532 -20.175 1.00 34.21 C ATOM 419 OE1 GLN A 27 17.605 7.516 -20.750 1.00 13.25 O ATOM 420 NE2 GLN A 27 15.971 8.989 -20.297 1.00 73.43 N ATOM 0 H GLN A 27 20.993 8.020 -17.105 1.00 40.23 H new ATOM 0 HA GLN A 27 19.304 10.443 -17.309 1.00 41.41 H new ATOM 0 HB2 GLN A 27 19.098 7.673 -18.323 1.00 13.34 H new ATOM 0 HB3 GLN A 27 17.648 8.230 -17.512 1.00 13.34 H new ATOM 0 HG2 GLN A 27 17.650 10.259 -18.992 1.00 4.15 H new ATOM 0 HG3 GLN A 27 19.034 9.601 -19.842 1.00 4.15 H new ATOM 0 HE21 GLN A 27 15.688 9.835 -19.802 1.00 73.43 H new ATOM 0 HE22 GLN A 27 15.301 8.494 -20.885 1.00 73.43 H new ATOM 429 N THR A 28 19.799 8.660 -14.783 1.00 65.52 N ATOM 430 CA THR A 28 19.461 8.409 -13.388 1.00 61.50 C ATOM 431 C THR A 28 18.733 9.600 -12.776 1.00 21.21 C ATOM 432 O THR A 28 18.985 10.755 -13.119 1.00 10.11 O ATOM 433 CB THR A 28 20.718 8.104 -12.551 1.00 40.22 C ATOM 434 OG1 THR A 28 20.394 8.121 -11.156 1.00 51.55 O ATOM 435 CG2 THR A 28 21.816 9.119 -12.835 1.00 35.34 C ATOM 0 H THR A 28 20.754 8.407 -15.038 1.00 65.52 H new ATOM 0 HA THR A 28 18.805 7.539 -13.374 1.00 61.50 H new ATOM 0 HB THR A 28 21.080 7.114 -12.827 1.00 40.22 H new ATOM 0 HG1 THR A 28 21.198 7.925 -10.631 1.00 51.55 H new ATOM 0 HG21 THR A 28 22.694 8.884 -12.233 1.00 35.34 H new ATOM 0 HG22 THR A 28 22.081 9.083 -13.892 1.00 35.34 H new ATOM 0 HG23 THR A 28 21.461 10.119 -12.584 1.00 35.34 H new ATOM 443 N PRO A 29 17.808 9.315 -11.847 1.00 3.40 N ATOM 444 CA PRO A 29 17.025 10.351 -11.166 1.00 44.23 C ATOM 445 C PRO A 29 17.873 11.183 -10.209 1.00 75.04 C ATOM 446 O PRO A 29 17.665 11.154 -8.996 1.00 53.44 O ATOM 447 CB PRO A 29 15.975 9.551 -10.393 1.00 32.23 C ATOM 448 CG PRO A 29 16.597 8.214 -10.181 1.00 23.01 C ATOM 449 CD PRO A 29 17.456 7.961 -11.389 1.00 70.11 C ATOM 0 HA PRO A 29 16.601 11.069 -11.868 1.00 44.23 H new ATOM 0 HB2 PRO A 29 15.732 10.030 -9.444 1.00 32.23 H new ATOM 0 HB3 PRO A 29 15.045 9.470 -10.956 1.00 32.23 H new ATOM 0 HG2 PRO A 29 17.193 8.201 -9.269 1.00 23.01 H new ATOM 0 HG3 PRO A 29 15.835 7.442 -10.075 1.00 23.01 H new ATOM 0 HD2 PRO A 29 18.342 7.379 -11.137 1.00 70.11 H new ATOM 0 HD3 PRO A 29 16.917 7.405 -12.156 1.00 70.11 H new ATOM 457 N SER A 30 18.828 11.924 -10.763 1.00 35.42 N ATOM 458 CA SER A 30 19.708 12.761 -9.957 1.00 45.34 C ATOM 459 C SER A 30 19.099 14.144 -9.744 1.00 73.55 C ATOM 460 O SER A 30 18.276 14.615 -10.530 1.00 45.22 O ATOM 461 CB SER A 30 21.077 12.893 -10.629 1.00 74.03 C ATOM 462 OG SER A 30 20.958 12.852 -12.041 1.00 14.12 O ATOM 0 H SER A 30 19.011 11.961 -11.766 1.00 35.42 H new ATOM 0 HA SER A 30 19.832 12.284 -8.985 1.00 45.34 H new ATOM 0 HB2 SER A 30 21.545 13.830 -10.327 1.00 74.03 H new ATOM 0 HB3 SER A 30 21.730 12.088 -10.292 1.00 74.03 H new ATOM 0 HG SER A 30 21.846 12.940 -12.447 1.00 14.12 H new ATOM 468 N PRO A 31 19.510 14.810 -8.655 1.00 64.55 N ATOM 469 CA PRO A 31 19.019 16.147 -8.313 1.00 13.33 C ATOM 470 C PRO A 31 19.524 17.215 -9.277 1.00 14.21 C ATOM 471 O PRO A 31 20.427 16.983 -10.080 1.00 41.15 O ATOM 472 CB PRO A 31 19.583 16.384 -6.910 1.00 31.14 C ATOM 473 CG PRO A 31 20.794 15.519 -6.837 1.00 73.14 C ATOM 474 CD PRO A 31 20.488 14.308 -7.675 1.00 42.12 C ATOM 0 HA PRO A 31 17.932 16.207 -8.367 1.00 13.33 H new ATOM 0 HB2 PRO A 31 19.836 17.433 -6.757 1.00 31.14 H new ATOM 0 HB3 PRO A 31 18.858 16.116 -6.141 1.00 31.14 H new ATOM 0 HG2 PRO A 31 21.672 16.043 -7.215 1.00 73.14 H new ATOM 0 HG3 PRO A 31 21.010 15.236 -5.807 1.00 73.14 H new ATOM 0 HD2 PRO A 31 21.382 13.920 -8.162 1.00 42.12 H new ATOM 0 HD3 PRO A 31 20.075 13.497 -7.074 1.00 42.12 H new ATOM 482 N PRO A 32 18.929 18.415 -9.197 1.00 74.32 N ATOM 483 CA PRO A 32 19.303 19.543 -10.055 1.00 61.32 C ATOM 484 C PRO A 32 20.683 20.096 -9.716 1.00 62.43 C ATOM 485 O PRO A 32 21.290 19.708 -8.718 1.00 34.22 O ATOM 486 CB PRO A 32 18.222 20.586 -9.761 1.00 62.15 C ATOM 487 CG PRO A 32 17.741 20.257 -8.391 1.00 34.23 C ATOM 488 CD PRO A 32 17.845 18.762 -8.263 1.00 12.21 C ATOM 0 HA PRO A 32 19.362 19.255 -11.105 1.00 61.32 H new ATOM 0 HB2 PRO A 32 18.625 21.598 -9.807 1.00 62.15 H new ATOM 0 HB3 PRO A 32 17.412 20.533 -10.488 1.00 62.15 H new ATOM 0 HG2 PRO A 32 18.346 20.756 -7.635 1.00 34.23 H new ATOM 0 HG3 PRO A 32 16.713 20.590 -8.248 1.00 34.23 H new ATOM 0 HD2 PRO A 32 18.082 18.461 -7.242 1.00 12.21 H new ATOM 0 HD3 PRO A 32 16.910 18.270 -8.531 1.00 12.21 H new ATOM 496 N SER A 33 21.174 21.004 -10.554 1.00 32.13 N ATOM 497 CA SER A 33 22.484 21.608 -10.344 1.00 64.21 C ATOM 498 C SER A 33 22.416 22.697 -9.278 1.00 4.00 C ATOM 499 O SER A 33 23.406 22.984 -8.606 1.00 2.14 O ATOM 500 CB SER A 33 23.015 22.193 -11.654 1.00 50.23 C ATOM 501 OG SER A 33 24.417 22.017 -11.761 1.00 1.45 O ATOM 0 H SER A 33 20.684 21.337 -11.384 1.00 32.13 H new ATOM 0 HA SER A 33 23.165 20.829 -10.000 1.00 64.21 H new ATOM 0 HB2 SER A 33 22.520 21.712 -12.498 1.00 50.23 H new ATOM 0 HB3 SER A 33 22.774 23.255 -11.706 1.00 50.23 H new ATOM 0 HG SER A 33 24.731 22.398 -12.608 1.00 1.45 H new ATOM 507 N GLU A 34 21.241 23.299 -9.130 1.00 54.44 N ATOM 508 CA GLU A 34 21.043 24.358 -8.147 1.00 23.32 C ATOM 509 C GLU A 34 20.683 23.774 -6.784 1.00 23.51 C ATOM 510 O GLU A 34 20.938 24.385 -5.746 1.00 53.42 O ATOM 511 CB GLU A 34 19.944 25.316 -8.610 1.00 0.24 C ATOM 512 CG GLU A 34 20.452 26.709 -8.943 1.00 15.12 C ATOM 513 CD GLU A 34 19.462 27.796 -8.568 1.00 23.51 C ATOM 514 OE1 GLU A 34 19.302 28.059 -7.358 1.00 0.13 O ATOM 515 OE2 GLU A 34 18.849 28.382 -9.484 1.00 34.42 O ATOM 0 H GLU A 34 20.411 23.072 -9.678 1.00 54.44 H new ATOM 0 HA GLU A 34 21.978 24.909 -8.052 1.00 23.32 H new ATOM 0 HB2 GLU A 34 19.455 24.897 -9.489 1.00 0.24 H new ATOM 0 HB3 GLU A 34 19.187 25.391 -7.830 1.00 0.24 H new ATOM 0 HG2 GLU A 34 21.393 26.883 -8.420 1.00 15.12 H new ATOM 0 HG3 GLU A 34 20.665 26.769 -10.010 1.00 15.12 H new ATOM 522 N LYS A 35 20.089 22.585 -6.794 1.00 51.35 N ATOM 523 CA LYS A 35 19.693 21.916 -5.561 1.00 24.01 C ATOM 524 C LYS A 35 18.805 22.820 -4.712 1.00 72.23 C ATOM 525 O LYS A 35 17.788 23.328 -5.185 1.00 72.22 O ATOM 526 CB LYS A 35 20.931 21.503 -4.761 1.00 41.30 C ATOM 527 CG LYS A 35 20.674 20.367 -3.786 1.00 2.30 C ATOM 528 CD LYS A 35 21.972 19.736 -3.311 1.00 61.44 C ATOM 529 CE LYS A 35 22.301 18.478 -4.101 1.00 30.33 C ATOM 530 NZ LYS A 35 22.245 17.258 -3.249 1.00 32.33 N ATOM 0 H LYS A 35 19.871 22.065 -7.644 1.00 51.35 H new ATOM 0 HA LYS A 35 19.125 21.025 -5.827 1.00 24.01 H new ATOM 0 HB2 LYS A 35 21.718 21.205 -5.454 1.00 41.30 H new ATOM 0 HB3 LYS A 35 21.302 22.367 -4.210 1.00 41.30 H new ATOM 0 HG2 LYS A 35 20.115 20.742 -2.928 1.00 2.30 H new ATOM 0 HG3 LYS A 35 20.054 19.609 -4.264 1.00 2.30 H new ATOM 0 HD2 LYS A 35 22.786 20.454 -3.413 1.00 61.44 H new ATOM 0 HD3 LYS A 35 21.893 19.492 -2.252 1.00 61.44 H new ATOM 0 HE2 LYS A 35 21.600 18.375 -4.929 1.00 30.33 H new ATOM 0 HE3 LYS A 35 23.296 18.572 -4.536 1.00 30.33 H new ATOM 0 HZ1 LYS A 35 22.475 16.422 -3.824 1.00 32.33 H new ATOM 0 HZ2 LYS A 35 22.932 17.345 -2.473 1.00 32.33 H new ATOM 0 HZ3 LYS A 35 21.288 17.154 -2.854 1.00 32.33 H new TER 544 LYS A 35