USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 512 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 27 LYS NZ :NH3+ -178:sc= 1.2 (180deg=-0.0324) USER MOD Set 1.2: A 28 ASN : amide:sc= 1.05 K(o=2.2,f=-10!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -169:sc= -0.0237 (180deg=-0.273) USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 0.707 (180deg=0.501) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.175 K(o=-0.17,f=-0.98) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 1.2 (180deg=0.905) USER MOD Single : A 37 SER OG : rot -29:sc= 0.473 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.108 K(o=0.11,f=-7.3!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.94) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -170:sc= 0.0768 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0231 USER MOD Single : A 56 ASN : amide:sc= -0.031 K(o=-0.031,f=-1.3!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= 0.799 (180deg=0.301) USER MOD Single : A 62 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.016) USER MOD Single : A 63 SER OG : rot 48:sc= 0.428 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.440 -23.826 -2.765 1.00 0.00 N ATOM 2 CA GLY A 1 1.032 -22.739 -3.579 1.00 0.00 C ATOM 3 C GLY A 1 2.434 -22.389 -3.128 1.00 0.00 C ATOM 4 O GLY A 1 3.286 -23.268 -3.005 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.520 -24.033 -3.108 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.028 -24.680 -2.845 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.395 -23.529 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.053 -23.041 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.400 -21.854 -3.516 1.00 0.00 H new ATOM 8 N SER A 2 2.667 -21.111 -2.861 1.00 0.00 N ATOM 9 CA SER A 2 3.984 -20.633 -2.470 1.00 0.00 C ATOM 10 C SER A 2 3.888 -19.225 -1.893 1.00 0.00 C ATOM 11 O SER A 2 3.064 -18.417 -2.333 1.00 0.00 O ATOM 12 CB SER A 2 4.928 -20.643 -3.676 1.00 0.00 C ATOM 13 OG SER A 2 6.238 -20.242 -3.311 1.00 0.00 O ATOM 0 H SER A 2 1.954 -20.383 -2.909 1.00 0.00 H new ATOM 0 HA SER A 2 4.382 -21.298 -1.704 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.959 -21.644 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.543 -19.975 -4.447 1.00 0.00 H new ATOM 0 HG SER A 2 6.818 -20.260 -4.101 1.00 0.00 H new ATOM 19 N MET A 3 4.722 -18.939 -0.904 1.00 0.00 N ATOM 20 CA MET A 3 4.795 -17.609 -0.329 1.00 0.00 C ATOM 21 C MET A 3 6.231 -17.110 -0.349 1.00 0.00 C ATOM 22 O MET A 3 6.992 -17.320 0.596 1.00 0.00 O ATOM 23 CB MET A 3 4.250 -17.577 1.104 1.00 0.00 C ATOM 24 CG MET A 3 2.770 -17.912 1.211 1.00 0.00 C ATOM 25 SD MET A 3 2.082 -17.537 2.839 1.00 0.00 S ATOM 26 CE MET A 3 3.132 -18.534 3.897 1.00 0.00 C ATOM 0 H MET A 3 5.359 -19.615 -0.483 1.00 0.00 H new ATOM 0 HA MET A 3 4.172 -16.952 -0.936 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.816 -18.282 1.713 1.00 0.00 H new ATOM 0 HB3 MET A 3 4.419 -16.585 1.524 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.220 -17.355 0.452 1.00 0.00 H new ATOM 0 HG3 MET A 3 2.626 -18.971 0.996 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.713 -18.563 4.903 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.192 -19.547 3.500 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.131 -18.099 3.933 1.00 0.00 H new ATOM 36 N ALA A 4 6.608 -16.489 -1.453 1.00 0.00 N ATOM 37 CA ALA A 4 7.922 -15.886 -1.579 1.00 0.00 C ATOM 38 C ALA A 4 7.807 -14.377 -1.429 1.00 0.00 C ATOM 39 O ALA A 4 6.722 -13.814 -1.607 1.00 0.00 O ATOM 40 CB ALA A 4 8.555 -16.253 -2.911 1.00 0.00 C ATOM 0 H ALA A 4 6.018 -16.389 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 4 8.568 -16.269 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.539 -15.791 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.656 -17.336 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.924 -15.895 -3.725 1.00 0.00 H new ATOM 46 N GLU A 5 8.914 -13.724 -1.116 1.00 0.00 N ATOM 47 CA GLU A 5 8.890 -12.299 -0.830 1.00 0.00 C ATOM 48 C GLU A 5 9.034 -11.479 -2.104 1.00 0.00 C ATOM 49 O GLU A 5 9.759 -11.856 -3.029 1.00 0.00 O ATOM 50 CB GLU A 5 9.985 -11.933 0.171 1.00 0.00 C ATOM 51 CG GLU A 5 9.872 -12.690 1.486 1.00 0.00 C ATOM 52 CD GLU A 5 8.477 -12.624 2.080 1.00 0.00 C ATOM 53 OE1 GLU A 5 8.068 -11.538 2.533 1.00 0.00 O ATOM 54 OE2 GLU A 5 7.783 -13.668 2.103 1.00 0.00 O ATOM 0 H GLU A 5 9.836 -14.155 -1.054 1.00 0.00 H new ATOM 0 HA GLU A 5 7.922 -12.063 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.959 -12.136 -0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.943 -10.862 0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.145 -13.733 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.586 -12.280 2.200 1.00 0.00 H new ATOM 61 N GLU A 6 8.332 -10.357 -2.136 1.00 0.00 N ATOM 62 CA GLU A 6 8.296 -9.485 -3.304 1.00 0.00 C ATOM 63 C GLU A 6 8.855 -8.115 -2.941 1.00 0.00 C ATOM 64 O GLU A 6 9.404 -7.934 -1.852 1.00 0.00 O ATOM 65 CB GLU A 6 6.848 -9.326 -3.771 1.00 0.00 C ATOM 66 CG GLU A 6 6.100 -10.641 -3.923 1.00 0.00 C ATOM 67 CD GLU A 6 6.265 -11.261 -5.291 1.00 0.00 C ATOM 68 OE1 GLU A 6 7.389 -11.680 -5.633 1.00 0.00 O ATOM 69 OE2 GLU A 6 5.263 -11.327 -6.034 1.00 0.00 O ATOM 0 H GLU A 6 7.770 -10.023 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 6 8.898 -9.924 -4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.314 -8.696 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.841 -8.803 -4.727 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.453 -11.343 -3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.040 -10.474 -3.732 1.00 0.00 H new ATOM 76 N VAL A 7 8.706 -7.152 -3.844 1.00 0.00 N ATOM 77 CA VAL A 7 9.021 -5.765 -3.528 1.00 0.00 C ATOM 78 C VAL A 7 7.887 -5.176 -2.682 1.00 0.00 C ATOM 79 O VAL A 7 6.942 -4.555 -3.182 1.00 0.00 O ATOM 80 CB VAL A 7 9.281 -4.922 -4.805 1.00 0.00 C ATOM 81 CG1 VAL A 7 8.133 -5.037 -5.800 1.00 0.00 C ATOM 82 CG2 VAL A 7 9.549 -3.466 -4.446 1.00 0.00 C ATOM 0 H VAL A 7 8.371 -7.305 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 7 9.948 -5.736 -2.955 1.00 0.00 H new ATOM 0 HB VAL A 7 10.171 -5.325 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.353 -4.433 -6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.011 -6.079 -6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.213 -4.682 -5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.729 -2.894 -5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.685 -3.055 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.425 -3.406 -3.801 1.00 0.00 H new ATOM 92 N VAL A 8 7.975 -5.426 -1.386 1.00 0.00 N ATOM 93 CA VAL A 8 6.883 -5.151 -0.474 1.00 0.00 C ATOM 94 C VAL A 8 7.210 -4.024 0.498 1.00 0.00 C ATOM 95 O VAL A 8 8.358 -3.830 0.896 1.00 0.00 O ATOM 96 CB VAL A 8 6.496 -6.440 0.295 1.00 0.00 C ATOM 97 CG1 VAL A 8 5.581 -6.154 1.472 1.00 0.00 C ATOM 98 CG2 VAL A 8 5.824 -7.419 -0.651 1.00 0.00 C ATOM 0 H VAL A 8 8.802 -5.823 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 8 6.034 -4.818 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 8 7.414 -6.873 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.338 -7.088 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.083 -5.483 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.664 -5.686 1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.554 -8.324 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.925 -6.964 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.510 -7.673 -1.459 1.00 0.00 H new ATOM 108 N VAL A 9 6.182 -3.273 0.839 1.00 0.00 N ATOM 109 CA VAL A 9 6.263 -2.216 1.826 1.00 0.00 C ATOM 110 C VAL A 9 5.305 -2.522 2.972 1.00 0.00 C ATOM 111 O VAL A 9 4.704 -3.595 3.002 1.00 0.00 O ATOM 112 CB VAL A 9 5.915 -0.857 1.201 1.00 0.00 C ATOM 113 CG1 VAL A 9 7.013 -0.420 0.247 1.00 0.00 C ATOM 114 CG2 VAL A 9 4.579 -0.938 0.479 1.00 0.00 C ATOM 0 H VAL A 9 5.253 -3.382 0.432 1.00 0.00 H new ATOM 0 HA VAL A 9 7.284 -2.165 2.204 1.00 0.00 H new ATOM 0 HB VAL A 9 5.834 -0.115 1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.754 0.545 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.953 -0.331 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.121 -1.159 -0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.343 0.031 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.636 -1.689 -0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.799 -1.215 1.188 1.00 0.00 H new ATOM 124 N VAL A 10 5.144 -1.602 3.903 1.00 0.00 N ATOM 125 CA VAL A 10 4.269 -1.848 5.038 1.00 0.00 C ATOM 126 C VAL A 10 3.474 -0.591 5.395 1.00 0.00 C ATOM 127 O VAL A 10 3.961 0.533 5.254 1.00 0.00 O ATOM 128 CB VAL A 10 5.074 -2.341 6.269 1.00 0.00 C ATOM 129 CG1 VAL A 10 6.087 -1.298 6.719 1.00 0.00 C ATOM 130 CG2 VAL A 10 4.147 -2.731 7.415 1.00 0.00 C ATOM 0 H VAL A 10 5.599 -0.689 3.900 1.00 0.00 H new ATOM 0 HA VAL A 10 3.569 -2.632 4.751 1.00 0.00 H new ATOM 0 HB VAL A 10 5.624 -3.232 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.635 -1.673 7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.785 -1.094 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.567 -0.379 6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.741 -3.072 8.263 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.553 -1.867 7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.484 -3.533 7.090 1.00 0.00 H new ATOM 140 N ALA A 11 2.244 -0.784 5.829 1.00 0.00 N ATOM 141 CA ALA A 11 1.394 0.319 6.216 1.00 0.00 C ATOM 142 C ALA A 11 1.600 0.683 7.679 1.00 0.00 C ATOM 143 O ALA A 11 1.859 -0.176 8.519 1.00 0.00 O ATOM 144 CB ALA A 11 -0.052 -0.034 5.961 1.00 0.00 C ATOM 0 H ALA A 11 1.811 -1.703 5.922 1.00 0.00 H new ATOM 0 HA ALA A 11 1.662 1.187 5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.688 0.801 6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.194 -0.243 4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.319 -0.916 6.543 1.00 0.00 H new ATOM 150 N LYS A 12 1.481 1.960 7.974 1.00 0.00 N ATOM 151 CA LYS A 12 1.644 2.455 9.329 1.00 0.00 C ATOM 152 C LYS A 12 0.295 2.543 10.022 1.00 0.00 C ATOM 153 O LYS A 12 0.145 2.134 11.172 1.00 0.00 O ATOM 154 CB LYS A 12 2.309 3.827 9.308 1.00 0.00 C ATOM 155 CG LYS A 12 3.682 3.819 8.661 1.00 0.00 C ATOM 156 CD LYS A 12 4.718 3.149 9.549 1.00 0.00 C ATOM 157 CE LYS A 12 5.010 3.982 10.789 1.00 0.00 C ATOM 158 NZ LYS A 12 5.483 5.347 10.435 1.00 0.00 N ATOM 0 H LYS A 12 1.270 2.683 7.287 1.00 0.00 H new ATOM 0 HA LYS A 12 2.278 1.762 9.881 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.667 4.526 8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.399 4.195 10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.631 3.298 7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.991 4.843 8.450 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.361 2.163 9.847 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.639 2.998 8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.109 4.055 11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.765 3.481 11.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.847 5.820 11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.241 5.279 9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.692 5.898 10.045 1.00 0.00 H new ATOM 172 N PHE A 13 -0.686 3.079 9.309 1.00 0.00 N ATOM 173 CA PHE A 13 -2.027 3.247 9.850 1.00 0.00 C ATOM 174 C PHE A 13 -3.073 2.849 8.822 1.00 0.00 C ATOM 175 O PHE A 13 -2.802 2.851 7.625 1.00 0.00 O ATOM 176 CB PHE A 13 -2.259 4.700 10.279 1.00 0.00 C ATOM 177 CG PHE A 13 -1.389 5.147 11.421 1.00 0.00 C ATOM 178 CD1 PHE A 13 -1.658 4.738 12.718 1.00 0.00 C ATOM 179 CD2 PHE A 13 -0.305 5.982 11.197 1.00 0.00 C ATOM 180 CE1 PHE A 13 -0.858 5.147 13.769 1.00 0.00 C ATOM 181 CE2 PHE A 13 0.499 6.394 12.245 1.00 0.00 C ATOM 182 CZ PHE A 13 0.221 5.977 13.531 1.00 0.00 C ATOM 0 H PHE A 13 -0.577 3.406 8.349 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.119 2.599 10.722 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.083 5.353 9.424 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.304 4.822 10.563 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.502 4.092 12.910 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.086 6.315 10.193 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.076 4.818 14.774 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.343 7.041 12.057 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.846 6.299 14.351 1.00 0.00 H new ATOM 192 N ASP A 14 -4.261 2.504 9.304 1.00 0.00 N ATOM 193 CA ASP A 14 -5.371 2.125 8.440 1.00 0.00 C ATOM 194 C ASP A 14 -5.753 3.262 7.509 1.00 0.00 C ATOM 195 O ASP A 14 -5.940 4.401 7.945 1.00 0.00 O ATOM 196 CB ASP A 14 -6.595 1.754 9.272 1.00 0.00 C ATOM 197 CG ASP A 14 -6.336 0.618 10.236 1.00 0.00 C ATOM 198 OD1 ASP A 14 -6.538 -0.552 9.851 1.00 0.00 O ATOM 199 OD2 ASP A 14 -5.947 0.889 11.385 1.00 0.00 O ATOM 0 H ASP A 14 -4.481 2.479 10.300 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.044 1.267 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.925 2.629 9.832 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.410 1.477 8.604 1.00 0.00 H new ATOM 204 N TYR A 15 -5.881 2.951 6.235 1.00 0.00 N ATOM 205 CA TYR A 15 -6.367 3.911 5.267 1.00 0.00 C ATOM 206 C TYR A 15 -7.404 3.256 4.367 1.00 0.00 C ATOM 207 O TYR A 15 -7.087 2.374 3.568 1.00 0.00 O ATOM 208 CB TYR A 15 -5.217 4.495 4.437 1.00 0.00 C ATOM 209 CG TYR A 15 -5.684 5.231 3.202 1.00 0.00 C ATOM 210 CD1 TYR A 15 -6.307 6.469 3.302 1.00 0.00 C ATOM 211 CD2 TYR A 15 -5.506 4.682 1.937 1.00 0.00 C ATOM 212 CE1 TYR A 15 -6.747 7.137 2.176 1.00 0.00 C ATOM 213 CE2 TYR A 15 -5.939 5.344 0.805 1.00 0.00 C ATOM 214 CZ TYR A 15 -6.558 6.573 0.928 1.00 0.00 C ATOM 215 OH TYR A 15 -7.004 7.234 -0.197 1.00 0.00 O ATOM 0 H TYR A 15 -5.654 2.036 5.845 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.835 4.736 5.804 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.638 5.176 5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.547 3.688 4.139 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.449 6.916 4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.021 3.722 1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.236 8.095 2.270 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.795 4.904 -0.171 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.792 6.704 -0.993 1.00 0.00 H new ATOM 225 N VAL A 16 -8.645 3.685 4.514 1.00 0.00 N ATOM 226 CA VAL A 16 -9.731 3.170 3.699 1.00 0.00 C ATOM 227 C VAL A 16 -9.729 3.868 2.345 1.00 0.00 C ATOM 228 O VAL A 16 -9.490 5.075 2.264 1.00 0.00 O ATOM 229 CB VAL A 16 -11.102 3.371 4.388 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.218 2.729 3.578 1.00 0.00 C ATOM 231 CG2 VAL A 16 -11.081 2.813 5.802 1.00 0.00 C ATOM 0 H VAL A 16 -8.927 4.392 5.193 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.576 2.099 3.565 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.296 4.442 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.171 2.885 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.255 3.182 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.029 1.660 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.055 2.965 6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.857 1.747 5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.316 3.327 6.385 1.00 0.00 H new ATOM 241 N ALA A 17 -9.986 3.113 1.290 1.00 0.00 N ATOM 242 CA ALA A 17 -9.997 3.657 -0.048 1.00 0.00 C ATOM 243 C ALA A 17 -11.401 4.081 -0.398 1.00 0.00 C ATOM 244 O ALA A 17 -12.367 3.550 0.150 1.00 0.00 O ATOM 245 CB ALA A 17 -9.488 2.636 -1.052 1.00 0.00 C ATOM 0 H ALA A 17 -10.191 2.115 1.341 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.334 4.521 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.506 3.069 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.467 2.353 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.126 1.753 -1.028 1.00 0.00 H new ATOM 251 N GLN A 18 -11.514 5.042 -1.289 1.00 0.00 N ATOM 252 CA GLN A 18 -12.811 5.508 -1.722 1.00 0.00 C ATOM 253 C GLN A 18 -13.523 4.405 -2.497 1.00 0.00 C ATOM 254 O GLN A 18 -14.579 3.927 -2.091 1.00 0.00 O ATOM 255 CB GLN A 18 -12.651 6.761 -2.581 1.00 0.00 C ATOM 256 CG GLN A 18 -13.951 7.290 -3.144 1.00 0.00 C ATOM 257 CD GLN A 18 -13.731 8.442 -4.096 1.00 0.00 C ATOM 258 OE1 GLN A 18 -12.682 9.209 -3.857 1.00 0.00 O flip ATOM 259 NE2 GLN A 18 -14.493 8.636 -5.038 1.00 0.00 N flip ATOM 0 H GLN A 18 -10.723 5.515 -1.727 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.416 5.763 -0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.181 7.542 -1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.973 6.540 -3.405 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.474 6.487 -3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.595 7.614 -2.326 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.291 8.018 -5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.328 9.416 -5.675 1.00 0.00 H new ATOM 268 N GLN A 19 -12.930 4.020 -3.618 1.00 0.00 N ATOM 269 CA GLN A 19 -13.389 2.864 -4.380 1.00 0.00 C ATOM 270 C GLN A 19 -12.197 1.977 -4.707 1.00 0.00 C ATOM 271 O GLN A 19 -11.059 2.336 -4.404 1.00 0.00 O ATOM 272 CB GLN A 19 -14.076 3.286 -5.687 1.00 0.00 C ATOM 273 CG GLN A 19 -15.337 4.114 -5.501 1.00 0.00 C ATOM 274 CD GLN A 19 -16.389 3.413 -4.664 1.00 0.00 C ATOM 275 OE1 GLN A 19 -16.457 2.183 -4.619 1.00 0.00 O ATOM 276 NE2 GLN A 19 -17.235 4.192 -4.016 1.00 0.00 N ATOM 0 H GLN A 19 -12.123 4.495 -4.024 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.115 2.323 -3.773 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.367 3.857 -6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.326 2.391 -6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.077 5.061 -5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.757 4.351 -6.479 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.145 5.206 -4.079 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.979 3.780 -3.452 1.00 0.00 H new ATOM 285 N GLU A 20 -12.454 0.840 -5.348 1.00 0.00 N ATOM 286 CA GLU A 20 -11.386 -0.060 -5.800 1.00 0.00 C ATOM 287 C GLU A 20 -10.533 0.590 -6.895 1.00 0.00 C ATOM 288 O GLU A 20 -9.565 0.004 -7.380 1.00 0.00 O ATOM 289 CB GLU A 20 -11.958 -1.391 -6.309 1.00 0.00 C ATOM 290 CG GLU A 20 -12.692 -2.199 -5.248 1.00 0.00 C ATOM 291 CD GLU A 20 -14.162 -1.850 -5.147 1.00 0.00 C ATOM 292 OE1 GLU A 20 -14.489 -0.724 -4.722 1.00 0.00 O ATOM 293 OE2 GLU A 20 -15.001 -2.711 -5.480 1.00 0.00 O ATOM 0 H GLU A 20 -13.395 0.515 -5.569 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.751 -0.259 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.642 -1.189 -7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.144 -1.994 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.591 -3.261 -5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.218 -2.033 -4.281 1.00 0.00 H new ATOM 300 N GLN A 21 -10.925 1.794 -7.300 1.00 0.00 N ATOM 301 CA GLN A 21 -10.120 2.613 -8.199 1.00 0.00 C ATOM 302 C GLN A 21 -8.881 3.111 -7.461 1.00 0.00 C ATOM 303 O GLN A 21 -7.872 3.466 -8.068 1.00 0.00 O ATOM 304 CB GLN A 21 -10.939 3.804 -8.706 1.00 0.00 C ATOM 305 CG GLN A 21 -11.416 4.728 -7.595 1.00 0.00 C ATOM 306 CD GLN A 21 -12.284 5.859 -8.101 1.00 0.00 C ATOM 307 OE1 GLN A 21 -12.991 5.720 -9.099 1.00 0.00 O ATOM 308 NE2 GLN A 21 -12.227 6.991 -7.420 1.00 0.00 N ATOM 0 H GLN A 21 -11.804 2.227 -7.016 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.815 2.010 -9.054 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.335 4.377 -9.410 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.804 3.433 -9.256 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.976 4.147 -6.862 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.551 5.144 -7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.627 7.062 -6.598 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.783 7.793 -7.716 1.00 0.00 H new ATOM 317 N GLU A 22 -8.983 3.123 -6.140 1.00 0.00 N ATOM 318 CA GLU A 22 -7.901 3.554 -5.274 1.00 0.00 C ATOM 319 C GLU A 22 -7.323 2.335 -4.567 1.00 0.00 C ATOM 320 O GLU A 22 -7.785 1.215 -4.788 1.00 0.00 O ATOM 321 CB GLU A 22 -8.421 4.559 -4.241 1.00 0.00 C ATOM 322 CG GLU A 22 -9.221 5.708 -4.836 1.00 0.00 C ATOM 323 CD GLU A 22 -8.433 6.528 -5.835 1.00 0.00 C ATOM 324 OE1 GLU A 22 -7.670 7.414 -5.411 1.00 0.00 O ATOM 325 OE2 GLU A 22 -8.589 6.300 -7.052 1.00 0.00 O ATOM 0 H GLU A 22 -9.823 2.833 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.127 4.039 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.045 4.031 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.574 4.968 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.110 5.309 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.564 6.359 -4.031 1.00 0.00 H new ATOM 332 N LEU A 23 -6.329 2.537 -3.718 1.00 0.00 N ATOM 333 CA LEU A 23 -5.750 1.425 -2.984 1.00 0.00 C ATOM 334 C LEU A 23 -6.150 1.517 -1.513 1.00 0.00 C ATOM 335 O LEU A 23 -5.962 2.557 -0.879 1.00 0.00 O ATOM 336 CB LEU A 23 -4.222 1.439 -3.118 1.00 0.00 C ATOM 337 CG LEU A 23 -3.544 0.068 -3.023 1.00 0.00 C ATOM 338 CD1 LEU A 23 -3.462 -0.409 -1.587 1.00 0.00 C ATOM 339 CD2 LEU A 23 -4.298 -0.946 -3.859 1.00 0.00 C ATOM 0 H LEU A 23 -5.911 3.447 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.126 0.490 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.962 1.889 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.811 2.084 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.529 0.170 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.976 -1.384 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.884 0.304 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.467 -0.491 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.807 -1.916 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.322 -1.028 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.308 -0.624 -4.900 1.00 0.00 H new ATOM 351 N ASP A 24 -6.693 0.437 -0.968 1.00 0.00 N ATOM 352 CA ASP A 24 -7.040 0.399 0.447 1.00 0.00 C ATOM 353 C ASP A 24 -5.951 -0.333 1.218 1.00 0.00 C ATOM 354 O ASP A 24 -5.469 -1.381 0.786 1.00 0.00 O ATOM 355 CB ASP A 24 -8.403 -0.273 0.671 1.00 0.00 C ATOM 356 CG ASP A 24 -8.405 -1.756 0.349 1.00 0.00 C ATOM 357 OD1 ASP A 24 -8.512 -2.110 -0.848 1.00 0.00 O ATOM 358 OD2 ASP A 24 -8.316 -2.570 1.293 1.00 0.00 O ATOM 0 H ASP A 24 -6.902 -0.420 -1.480 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.116 1.423 0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.702 -0.134 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.151 0.226 0.055 1.00 0.00 H new ATOM 363 N ILE A 25 -5.535 0.233 2.339 1.00 0.00 N ATOM 364 CA ILE A 25 -4.459 -0.355 3.118 1.00 0.00 C ATOM 365 C ILE A 25 -4.853 -0.455 4.588 1.00 0.00 C ATOM 366 O ILE A 25 -5.668 0.325 5.082 1.00 0.00 O ATOM 367 CB ILE A 25 -3.134 0.441 2.969 1.00 0.00 C ATOM 368 CG1 ILE A 25 -3.228 1.825 3.607 1.00 0.00 C ATOM 369 CG2 ILE A 25 -2.745 0.574 1.507 1.00 0.00 C ATOM 370 CD1 ILE A 25 -2.283 1.990 4.767 1.00 0.00 C ATOM 0 H ILE A 25 -5.923 1.093 2.727 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.287 -1.358 2.727 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.363 -0.123 3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.011 2.584 2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.249 1.996 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.814 1.135 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.609 -0.417 1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.533 1.100 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.390 2.991 5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.515 1.251 5.534 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.258 1.848 4.424 1.00 0.00 H new ATOM 382 N LYS A 26 -4.269 -1.416 5.283 1.00 0.00 N ATOM 383 CA LYS A 26 -4.615 -1.678 6.670 1.00 0.00 C ATOM 384 C LYS A 26 -3.400 -1.419 7.544 1.00 0.00 C ATOM 385 O LYS A 26 -2.274 -1.578 7.085 1.00 0.00 O ATOM 386 CB LYS A 26 -5.065 -3.134 6.820 1.00 0.00 C ATOM 387 CG LYS A 26 -5.976 -3.386 8.009 1.00 0.00 C ATOM 388 CD LYS A 26 -7.344 -2.770 7.784 1.00 0.00 C ATOM 389 CE LYS A 26 -8.321 -3.161 8.877 1.00 0.00 C ATOM 390 NZ LYS A 26 -7.804 -2.830 10.230 1.00 0.00 N ATOM 0 H LYS A 26 -3.548 -2.032 4.906 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.429 -1.022 6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.582 -3.438 5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.183 -3.767 6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.078 -4.459 8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.528 -2.967 8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.253 -1.684 7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.733 -3.089 6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.269 -2.648 8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.523 -4.231 8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.552 -2.987 10.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.989 -3.438 10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.508 -1.833 10.254 1.00 0.00 H new ATOM 404 N LYS A 27 -3.622 -1.025 8.793 1.00 0.00 N ATOM 405 CA LYS A 27 -2.521 -0.736 9.703 1.00 0.00 C ATOM 406 C LYS A 27 -1.583 -1.931 9.836 1.00 0.00 C ATOM 407 O LYS A 27 -2.026 -3.057 10.069 1.00 0.00 O ATOM 408 CB LYS A 27 -3.045 -0.345 11.081 1.00 0.00 C ATOM 409 CG LYS A 27 -1.935 -0.189 12.104 1.00 0.00 C ATOM 410 CD LYS A 27 -2.440 0.355 13.425 1.00 0.00 C ATOM 411 CE LYS A 27 -1.289 0.594 14.389 1.00 0.00 C ATOM 412 NZ LYS A 27 -0.623 -0.671 14.798 1.00 0.00 N ATOM 0 H LYS A 27 -4.550 -0.899 9.197 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.963 0.100 9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.597 0.592 11.004 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.749 -1.102 11.426 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.459 -1.155 12.270 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.170 0.479 11.708 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.978 1.288 13.257 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.148 -0.347 13.865 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.557 1.252 13.921 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.661 1.109 15.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.133 -0.460 15.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.321 -1.304 15.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.214 -1.134 13.961 1.00 0.00 H new ATOM 426 N ASN A 28 -0.290 -1.665 9.665 1.00 0.00 N ATOM 427 CA ASN A 28 0.763 -2.672 9.810 1.00 0.00 C ATOM 428 C ASN A 28 0.667 -3.771 8.752 1.00 0.00 C ATOM 429 O ASN A 28 1.303 -4.820 8.877 1.00 0.00 O ATOM 430 CB ASN A 28 0.750 -3.288 11.210 1.00 0.00 C ATOM 431 CG ASN A 28 1.546 -2.468 12.207 1.00 0.00 C ATOM 432 OD1 ASN A 28 1.015 -1.569 12.858 1.00 0.00 O ATOM 433 ND2 ASN A 28 2.828 -2.775 12.333 1.00 0.00 N ATOM 0 H ASN A 28 0.061 -0.739 9.420 1.00 0.00 H new ATOM 0 HA ASN A 28 1.710 -2.152 9.661 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.280 -3.377 11.556 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.159 -4.297 11.164 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.414 -2.259 12.989 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.229 -3.528 11.774 1.00 0.00 H new ATOM 440 N GLU A 29 -0.096 -3.522 7.697 1.00 0.00 N ATOM 441 CA GLU A 29 -0.269 -4.510 6.645 1.00 0.00 C ATOM 442 C GLU A 29 0.740 -4.266 5.536 1.00 0.00 C ATOM 443 O GLU A 29 1.137 -3.131 5.286 1.00 0.00 O ATOM 444 CB GLU A 29 -1.694 -4.475 6.092 1.00 0.00 C ATOM 445 CG GLU A 29 -1.987 -5.597 5.109 1.00 0.00 C ATOM 446 CD GLU A 29 -1.756 -6.974 5.702 1.00 0.00 C ATOM 447 OE1 GLU A 29 -0.580 -7.395 5.796 1.00 0.00 O ATOM 448 OE2 GLU A 29 -2.745 -7.645 6.064 1.00 0.00 O ATOM 0 H GLU A 29 -0.602 -2.649 7.548 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.098 -5.500 7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.399 -4.535 6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.861 -3.517 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.021 -5.520 4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.357 -5.476 4.228 1.00 0.00 H new ATOM 455 N ARG A 30 1.158 -5.333 4.889 1.00 0.00 N ATOM 456 CA ARG A 30 2.173 -5.253 3.855 1.00 0.00 C ATOM 457 C ARG A 30 1.541 -4.982 2.493 1.00 0.00 C ATOM 458 O ARG A 30 0.559 -5.623 2.115 1.00 0.00 O ATOM 459 CB ARG A 30 2.962 -6.559 3.821 1.00 0.00 C ATOM 460 CG ARG A 30 2.117 -7.752 3.424 1.00 0.00 C ATOM 461 CD ARG A 30 2.536 -9.010 4.169 1.00 0.00 C ATOM 462 NE ARG A 30 1.878 -10.211 3.650 1.00 0.00 N ATOM 463 CZ ARG A 30 0.632 -10.586 3.959 1.00 0.00 C ATOM 464 NH1 ARG A 30 -0.149 -9.815 4.705 1.00 0.00 N ATOM 465 NH2 ARG A 30 0.154 -11.733 3.498 1.00 0.00 N ATOM 0 H ARG A 30 0.808 -6.275 5.062 1.00 0.00 H new ATOM 0 HA ARG A 30 2.846 -4.426 4.083 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.790 -6.458 3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.397 -6.740 4.804 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.068 -7.540 3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.204 -7.919 2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.617 -9.130 4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.300 -8.898 5.227 1.00 0.00 H new ATOM 0 HE ARG A 30 2.406 -10.802 3.009 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.199 -8.921 5.052 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.097 -10.116 4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.736 -12.328 2.909 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.796 -12.021 3.733 1.00 0.00 H new ATOM 479 N LEU A 31 2.095 -4.028 1.764 1.00 0.00 N ATOM 480 CA LEU A 31 1.605 -3.725 0.428 1.00 0.00 C ATOM 481 C LEU A 31 2.720 -3.927 -0.592 1.00 0.00 C ATOM 482 O LEU A 31 3.886 -4.023 -0.234 1.00 0.00 O ATOM 483 CB LEU A 31 1.065 -2.287 0.317 1.00 0.00 C ATOM 484 CG LEU A 31 -0.118 -1.920 1.223 1.00 0.00 C ATOM 485 CD1 LEU A 31 -1.074 -3.092 1.382 1.00 0.00 C ATOM 486 CD2 LEU A 31 0.367 -1.415 2.574 1.00 0.00 C ATOM 0 H LEU A 31 2.879 -3.453 2.071 1.00 0.00 H new ATOM 0 HA LEU A 31 0.780 -4.407 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.883 -1.599 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.767 -2.115 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.668 -1.111 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.902 -2.801 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.461 -3.381 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.545 -3.935 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.491 -1.162 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.954 -2.192 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.985 -0.529 2.431 1.00 0.00 H new ATOM 498 N TRP A 32 2.359 -3.980 -1.856 1.00 0.00 N ATOM 499 CA TRP A 32 3.332 -4.136 -2.927 1.00 0.00 C ATOM 500 C TRP A 32 3.566 -2.800 -3.609 1.00 0.00 C ATOM 501 O TRP A 32 2.626 -2.174 -4.084 1.00 0.00 O ATOM 502 CB TRP A 32 2.848 -5.169 -3.948 1.00 0.00 C ATOM 503 CG TRP A 32 2.902 -6.587 -3.455 1.00 0.00 C ATOM 504 CD1 TRP A 32 3.837 -7.524 -3.783 1.00 0.00 C ATOM 505 CD2 TRP A 32 1.986 -7.238 -2.559 1.00 0.00 C ATOM 506 NE1 TRP A 32 3.562 -8.711 -3.150 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.433 -8.561 -2.392 1.00 0.00 C ATOM 508 CE3 TRP A 32 0.835 -6.829 -1.881 1.00 0.00 C ATOM 509 CZ2 TRP A 32 1.770 -9.477 -1.578 1.00 0.00 C ATOM 510 CZ3 TRP A 32 0.178 -7.738 -1.072 1.00 0.00 C ATOM 511 CH2 TRP A 32 0.648 -9.048 -0.927 1.00 0.00 C ATOM 0 H TRP A 32 1.392 -3.917 -2.173 1.00 0.00 H new ATOM 0 HA TRP A 32 4.270 -4.489 -2.498 1.00 0.00 H new ATOM 0 HB2 TRP A 32 1.822 -4.932 -4.231 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.455 -5.085 -4.850 1.00 0.00 H new ATOM 0 HD1 TRP A 32 4.673 -7.356 -4.445 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.111 -9.567 -3.232 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.465 -5.820 -1.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.130 -10.489 -1.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.713 -7.432 -0.543 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.113 -9.734 -0.287 1.00 0.00 H new ATOM 522 N LEU A 33 4.816 -2.369 -3.666 1.00 0.00 N ATOM 523 CA LEU A 33 5.131 -1.032 -4.148 1.00 0.00 C ATOM 524 C LEU A 33 5.616 -1.051 -5.590 1.00 0.00 C ATOM 525 O LEU A 33 6.540 -1.787 -5.941 1.00 0.00 O ATOM 526 CB LEU A 33 6.173 -0.377 -3.238 1.00 0.00 C ATOM 527 CG LEU A 33 6.596 1.041 -3.630 1.00 0.00 C ATOM 528 CD1 LEU A 33 5.383 1.957 -3.693 1.00 0.00 C ATOM 529 CD2 LEU A 33 7.614 1.570 -2.638 1.00 0.00 C ATOM 0 H LEU A 33 5.626 -2.922 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 33 4.214 -0.443 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.777 -0.351 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.061 -1.009 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 33 7.054 1.013 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.700 2.962 -3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.679 1.579 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.899 1.988 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.910 2.579 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.174 1.589 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.490 0.922 -2.635 1.00 0.00 H new ATOM 541 N LEU A 34 4.978 -0.237 -6.422 1.00 0.00 N ATOM 542 CA LEU A 34 5.351 -0.131 -7.823 1.00 0.00 C ATOM 543 C LEU A 34 6.032 1.206 -8.091 1.00 0.00 C ATOM 544 O LEU A 34 7.199 1.250 -8.481 1.00 0.00 O ATOM 545 CB LEU A 34 4.126 -0.288 -8.737 1.00 0.00 C ATOM 546 CG LEU A 34 3.365 -1.619 -8.621 1.00 0.00 C ATOM 547 CD1 LEU A 34 4.330 -2.794 -8.534 1.00 0.00 C ATOM 548 CD2 LEU A 34 2.419 -1.612 -7.428 1.00 0.00 C ATOM 0 H LEU A 34 4.198 0.360 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 34 6.049 -0.938 -8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.432 0.525 -8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.451 -0.167 -9.770 1.00 0.00 H new ATOM 0 HG LEU A 34 2.766 -1.736 -9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.766 -3.723 -8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.950 -2.823 -9.430 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.966 -2.678 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.896 -2.567 -7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.990 -1.458 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.694 -0.807 -7.544 1.00 0.00 H new ATOM 560 N ASP A 35 5.303 2.292 -7.861 1.00 0.00 N ATOM 561 CA ASP A 35 5.829 3.633 -8.095 1.00 0.00 C ATOM 562 C ASP A 35 5.919 4.413 -6.793 1.00 0.00 C ATOM 563 O ASP A 35 4.921 4.599 -6.097 1.00 0.00 O ATOM 564 CB ASP A 35 4.955 4.410 -9.086 1.00 0.00 C ATOM 565 CG ASP A 35 5.046 3.888 -10.503 1.00 0.00 C ATOM 566 OD1 ASP A 35 4.476 2.816 -10.787 1.00 0.00 O ATOM 567 OD2 ASP A 35 5.665 4.571 -11.344 1.00 0.00 O ATOM 0 H ASP A 35 4.345 2.271 -7.512 1.00 0.00 H new ATOM 0 HA ASP A 35 6.827 3.517 -8.519 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.917 4.366 -8.756 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.249 5.460 -9.073 1.00 0.00 H new ATOM 572 N ASP A 36 7.118 4.870 -6.476 1.00 0.00 N ATOM 573 CA ASP A 36 7.353 5.654 -5.272 1.00 0.00 C ATOM 574 C ASP A 36 7.996 6.987 -5.642 1.00 0.00 C ATOM 575 O ASP A 36 8.725 7.588 -4.852 1.00 0.00 O ATOM 576 CB ASP A 36 8.268 4.882 -4.315 1.00 0.00 C ATOM 577 CG ASP A 36 9.676 4.705 -4.863 1.00 0.00 C ATOM 578 OD1 ASP A 36 9.838 4.076 -5.931 1.00 0.00 O ATOM 579 OD2 ASP A 36 10.630 5.205 -4.232 1.00 0.00 O ATOM 0 H ASP A 36 7.952 4.710 -7.041 1.00 0.00 H new ATOM 0 HA ASP A 36 6.400 5.841 -4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.317 5.409 -3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.834 3.902 -4.116 1.00 0.00 H new ATOM 584 N SER A 37 7.701 7.459 -6.847 1.00 0.00 N ATOM 585 CA SER A 37 8.381 8.620 -7.398 1.00 0.00 C ATOM 586 C SER A 37 7.572 9.909 -7.225 1.00 0.00 C ATOM 587 O SER A 37 7.985 10.970 -7.698 1.00 0.00 O ATOM 588 CB SER A 37 8.679 8.381 -8.881 1.00 0.00 C ATOM 589 OG SER A 37 9.511 9.398 -9.416 1.00 0.00 O ATOM 0 H SER A 37 6.994 7.054 -7.460 1.00 0.00 H new ATOM 0 HA SER A 37 9.311 8.751 -6.845 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.163 7.412 -9.004 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.744 8.344 -9.439 1.00 0.00 H new ATOM 0 HG SER A 37 9.361 10.234 -8.927 1.00 0.00 H new ATOM 595 N LYS A 38 6.433 9.837 -6.549 1.00 0.00 N ATOM 596 CA LYS A 38 5.609 11.025 -6.366 1.00 0.00 C ATOM 597 C LYS A 38 4.999 11.065 -4.971 1.00 0.00 C ATOM 598 O LYS A 38 5.304 10.213 -4.136 1.00 0.00 O ATOM 599 CB LYS A 38 4.523 11.094 -7.443 1.00 0.00 C ATOM 600 CG LYS A 38 3.459 10.014 -7.343 1.00 0.00 C ATOM 601 CD LYS A 38 2.517 10.058 -8.540 1.00 0.00 C ATOM 602 CE LYS A 38 2.052 11.478 -8.843 1.00 0.00 C ATOM 603 NZ LYS A 38 1.227 11.541 -10.076 1.00 0.00 N ATOM 0 H LYS A 38 6.063 8.986 -6.125 1.00 0.00 H new ATOM 0 HA LYS A 38 6.250 11.901 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.038 12.069 -7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.997 11.028 -8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.935 9.035 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.889 10.145 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.021 9.646 -9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.651 9.426 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.474 11.858 -8.000 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.920 12.128 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.931 12.523 -10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.786 11.203 -10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.385 10.941 -9.961 1.00 0.00 H new ATOM 617 N SER A 39 4.162 12.071 -4.729 1.00 0.00 N ATOM 618 CA SER A 39 3.545 12.287 -3.423 1.00 0.00 C ATOM 619 C SER A 39 2.757 11.063 -2.958 1.00 0.00 C ATOM 620 O SER A 39 2.971 10.558 -1.857 1.00 0.00 O ATOM 621 CB SER A 39 2.625 13.510 -3.478 1.00 0.00 C ATOM 622 OG SER A 39 3.321 14.655 -3.950 1.00 0.00 O ATOM 0 H SER A 39 3.893 12.759 -5.432 1.00 0.00 H new ATOM 0 HA SER A 39 4.344 12.460 -2.702 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.777 13.302 -4.131 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.221 13.710 -2.485 1.00 0.00 H new ATOM 0 HG SER A 39 2.710 15.421 -3.977 1.00 0.00 H new ATOM 628 N TRP A 40 1.843 10.601 -3.794 1.00 0.00 N ATOM 629 CA TRP A 40 1.059 9.420 -3.482 1.00 0.00 C ATOM 630 C TRP A 40 1.677 8.194 -4.134 1.00 0.00 C ATOM 631 O TRP A 40 1.906 8.171 -5.343 1.00 0.00 O ATOM 632 CB TRP A 40 -0.382 9.609 -3.949 1.00 0.00 C ATOM 633 CG TRP A 40 -1.176 10.554 -3.094 1.00 0.00 C ATOM 634 CD1 TRP A 40 -0.890 11.863 -2.830 1.00 0.00 C ATOM 635 CD2 TRP A 40 -2.396 10.262 -2.401 1.00 0.00 C ATOM 636 NE1 TRP A 40 -1.850 12.398 -2.006 1.00 0.00 N ATOM 637 CE2 TRP A 40 -2.787 11.436 -1.730 1.00 0.00 C ATOM 638 CE3 TRP A 40 -3.193 9.120 -2.282 1.00 0.00 C ATOM 639 CZ2 TRP A 40 -3.942 11.499 -0.951 1.00 0.00 C ATOM 640 CZ3 TRP A 40 -4.338 9.183 -1.510 1.00 0.00 C ATOM 641 CH2 TRP A 40 -4.703 10.364 -0.853 1.00 0.00 C ATOM 0 H TRP A 40 1.626 11.027 -4.695 1.00 0.00 H new ATOM 0 HA TRP A 40 1.056 9.271 -2.402 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.376 9.979 -4.974 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.880 8.640 -3.962 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.034 12.399 -3.213 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.864 13.356 -1.656 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.919 8.204 -2.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.226 12.409 -0.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -4.961 8.306 -1.412 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.603 10.381 -0.256 1.00 0.00 H new ATOM 652 N TRP A 41 1.953 7.182 -3.327 1.00 0.00 N ATOM 653 CA TRP A 41 2.624 5.990 -3.813 1.00 0.00 C ATOM 654 C TRP A 41 1.657 5.049 -4.517 1.00 0.00 C ATOM 655 O TRP A 41 0.500 4.908 -4.122 1.00 0.00 O ATOM 656 CB TRP A 41 3.334 5.261 -2.672 1.00 0.00 C ATOM 657 CG TRP A 41 4.542 5.990 -2.161 1.00 0.00 C ATOM 658 CD1 TRP A 41 5.146 7.078 -2.726 1.00 0.00 C ATOM 659 CD2 TRP A 41 5.302 5.675 -0.990 1.00 0.00 C ATOM 660 NE1 TRP A 41 6.232 7.458 -1.975 1.00 0.00 N ATOM 661 CE2 TRP A 41 6.346 6.615 -0.903 1.00 0.00 C ATOM 662 CE3 TRP A 41 5.195 4.692 -0.003 1.00 0.00 C ATOM 663 CZ2 TRP A 41 7.281 6.596 0.128 1.00 0.00 C ATOM 664 CZ3 TRP A 41 6.122 4.675 1.020 1.00 0.00 C ATOM 665 CH2 TRP A 41 7.152 5.623 1.082 1.00 0.00 C ATOM 0 H TRP A 41 1.722 7.163 -2.334 1.00 0.00 H new ATOM 0 HA TRP A 41 3.369 6.312 -4.541 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.632 5.115 -1.851 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.634 4.271 -3.014 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.818 7.568 -3.631 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.852 8.241 -2.183 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.402 3.959 -0.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.079 7.322 0.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.052 3.917 1.786 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.858 5.585 1.899 1.00 0.00 H new ATOM 676 N ARG A 42 2.152 4.416 -5.563 1.00 0.00 N ATOM 677 CA ARG A 42 1.373 3.473 -6.344 1.00 0.00 C ATOM 678 C ARG A 42 1.644 2.062 -5.854 1.00 0.00 C ATOM 679 O ARG A 42 2.730 1.514 -6.071 1.00 0.00 O ATOM 680 CB ARG A 42 1.748 3.607 -7.816 1.00 0.00 C ATOM 681 CG ARG A 42 0.965 2.714 -8.758 1.00 0.00 C ATOM 682 CD ARG A 42 1.474 2.871 -10.180 1.00 0.00 C ATOM 683 NE ARG A 42 0.791 1.994 -11.123 1.00 0.00 N ATOM 684 CZ ARG A 42 1.404 1.358 -12.126 1.00 0.00 C ATOM 685 NH1 ARG A 42 2.722 1.465 -12.294 1.00 0.00 N ATOM 686 NH2 ARG A 42 0.703 0.603 -12.962 1.00 0.00 N ATOM 0 H ARG A 42 3.108 4.541 -5.896 1.00 0.00 H new ATOM 0 HA ARG A 42 0.310 3.685 -6.229 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.605 4.644 -8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.809 3.386 -7.927 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.057 1.674 -8.445 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.094 2.968 -8.714 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.346 3.907 -10.495 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.543 2.661 -10.204 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.214 1.858 -11.011 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.273 2.037 -11.654 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.180 0.975 -13.063 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.305 0.507 -12.840 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.172 0.118 -13.727 1.00 0.00 H new ATOM 700 N VAL A 43 0.665 1.485 -5.179 1.00 0.00 N ATOM 701 CA VAL A 43 0.837 0.179 -4.562 1.00 0.00 C ATOM 702 C VAL A 43 -0.307 -0.764 -4.888 1.00 0.00 C ATOM 703 O VAL A 43 -1.365 -0.350 -5.367 1.00 0.00 O ATOM 704 CB VAL A 43 0.944 0.277 -3.027 1.00 0.00 C ATOM 705 CG1 VAL A 43 2.298 0.831 -2.603 1.00 0.00 C ATOM 706 CG2 VAL A 43 -0.181 1.138 -2.480 1.00 0.00 C ATOM 0 H VAL A 43 -0.257 1.899 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 43 1.766 -0.215 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 43 0.853 -0.727 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.343 0.888 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.089 0.175 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.432 1.827 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.096 1.201 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.115 2.138 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.141 0.694 -2.744 1.00 0.00 H new ATOM 716 N ARG A 44 -0.067 -2.033 -4.617 1.00 0.00 N ATOM 717 CA ARG A 44 -1.078 -3.063 -4.715 1.00 0.00 C ATOM 718 C ARG A 44 -1.170 -3.788 -3.382 1.00 0.00 C ATOM 719 O ARG A 44 -0.156 -4.064 -2.751 1.00 0.00 O ATOM 720 CB ARG A 44 -0.749 -4.042 -5.840 1.00 0.00 C ATOM 721 CG ARG A 44 -1.770 -5.150 -5.967 1.00 0.00 C ATOM 722 CD ARG A 44 -1.453 -6.079 -7.120 1.00 0.00 C ATOM 723 NE ARG A 44 -1.624 -5.418 -8.410 1.00 0.00 N ATOM 724 CZ ARG A 44 -1.818 -6.070 -9.554 1.00 0.00 C ATOM 725 NH1 ARG A 44 -1.878 -7.398 -9.574 1.00 0.00 N ATOM 726 NH2 ARG A 44 -1.971 -5.397 -10.684 1.00 0.00 N ATOM 0 H ARG A 44 0.845 -2.379 -4.320 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.039 -2.606 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.689 -3.499 -6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.234 -4.478 -5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.804 -5.721 -5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.760 -4.717 -6.111 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.427 -6.436 -7.028 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.101 -6.954 -7.071 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.593 -4.399 -8.436 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.775 -7.926 -8.708 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.027 -7.889 -10.456 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.940 -4.377 -10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.120 -5.898 -11.560 1.00 0.00 H new ATOM 740 N ASN A 45 -2.384 -4.053 -2.944 1.00 0.00 N ATOM 741 CA ASN A 45 -2.615 -4.722 -1.666 1.00 0.00 C ATOM 742 C ASN A 45 -2.930 -6.205 -1.856 1.00 0.00 C ATOM 743 O ASN A 45 -2.868 -6.729 -2.970 1.00 0.00 O ATOM 744 CB ASN A 45 -3.769 -4.049 -0.910 1.00 0.00 C ATOM 745 CG ASN A 45 -5.037 -3.921 -1.742 1.00 0.00 C ATOM 746 OD1 ASN A 45 -5.253 -4.661 -2.704 1.00 0.00 O ATOM 747 ND2 ASN A 45 -5.894 -2.995 -1.358 1.00 0.00 N ATOM 0 H ASN A 45 -3.235 -3.816 -3.453 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.697 -4.637 -1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.989 -4.623 -0.010 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.453 -3.057 -0.586 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.772 -2.872 -1.863 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.679 -2.402 -0.556 1.00 0.00 H new ATOM 754 N SER A 46 -3.275 -6.869 -0.753 1.00 0.00 N ATOM 755 CA SER A 46 -3.654 -8.280 -0.770 1.00 0.00 C ATOM 756 C SER A 46 -4.977 -8.481 -1.513 1.00 0.00 C ATOM 757 O SER A 46 -5.305 -9.587 -1.936 1.00 0.00 O ATOM 758 CB SER A 46 -3.776 -8.797 0.668 1.00 0.00 C ATOM 759 OG SER A 46 -2.657 -8.401 1.446 1.00 0.00 O ATOM 0 H SER A 46 -3.299 -6.445 0.174 1.00 0.00 H new ATOM 0 HA SER A 46 -2.881 -8.842 -1.294 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.691 -8.415 1.120 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.853 -9.884 0.662 1.00 0.00 H new ATOM 0 HG SER A 46 -2.757 -8.740 2.360 1.00 0.00 H new ATOM 765 N MET A 47 -5.714 -7.392 -1.691 1.00 0.00 N ATOM 766 CA MET A 47 -6.997 -7.415 -2.385 1.00 0.00 C ATOM 767 C MET A 47 -6.770 -7.349 -3.899 1.00 0.00 C ATOM 768 O MET A 47 -7.704 -7.142 -4.672 1.00 0.00 O ATOM 769 CB MET A 47 -7.847 -6.233 -1.896 1.00 0.00 C ATOM 770 CG MET A 47 -9.273 -6.199 -2.432 1.00 0.00 C ATOM 771 SD MET A 47 -10.242 -7.636 -1.935 1.00 0.00 S ATOM 772 CE MET A 47 -11.839 -7.211 -2.628 1.00 0.00 C ATOM 0 H MET A 47 -5.440 -6.467 -1.359 1.00 0.00 H new ATOM 0 HA MET A 47 -7.528 -8.342 -2.168 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.885 -6.258 -0.807 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.348 -5.306 -2.176 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.767 -5.294 -2.079 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.246 -6.144 -3.520 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.554 -8.003 -2.406 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.188 -6.275 -2.192 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.748 -7.096 -3.708 1.00 0.00 H new ATOM 782 N ASN A 48 -5.501 -7.530 -4.296 1.00 0.00 N ATOM 783 CA ASN A 48 -5.061 -7.547 -5.704 1.00 0.00 C ATOM 784 C ASN A 48 -5.601 -6.364 -6.501 1.00 0.00 C ATOM 785 O ASN A 48 -5.766 -6.440 -7.718 1.00 0.00 O ATOM 786 CB ASN A 48 -5.380 -8.885 -6.412 1.00 0.00 C ATOM 787 CG ASN A 48 -6.836 -9.310 -6.363 1.00 0.00 C ATOM 788 OD1 ASN A 48 -7.630 -8.959 -7.234 1.00 0.00 O ATOM 789 ND2 ASN A 48 -7.187 -10.094 -5.352 1.00 0.00 N ATOM 0 H ASN A 48 -4.736 -7.672 -3.637 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.976 -7.449 -5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.076 -8.807 -7.456 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.773 -9.670 -5.961 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.147 -10.429 -5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.497 -10.362 -4.651 1.00 0.00 H new ATOM 796 N LYS A 49 -5.834 -5.258 -5.811 1.00 0.00 N ATOM 797 CA LYS A 49 -6.220 -4.022 -6.459 1.00 0.00 C ATOM 798 C LYS A 49 -5.056 -3.053 -6.421 1.00 0.00 C ATOM 799 O LYS A 49 -4.083 -3.286 -5.707 1.00 0.00 O ATOM 800 CB LYS A 49 -7.464 -3.426 -5.792 1.00 0.00 C ATOM 801 CG LYS A 49 -8.723 -4.238 -6.056 1.00 0.00 C ATOM 802 CD LYS A 49 -8.951 -4.413 -7.547 1.00 0.00 C ATOM 803 CE LYS A 49 -10.047 -5.420 -7.845 1.00 0.00 C ATOM 804 NZ LYS A 49 -10.159 -5.671 -9.306 1.00 0.00 N ATOM 0 H LYS A 49 -5.761 -5.195 -4.796 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.476 -4.223 -7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.298 -3.362 -4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.612 -2.408 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.637 -5.215 -5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.583 -3.740 -5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.214 -3.451 -7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.024 -4.737 -8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.836 -6.356 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.998 -5.051 -7.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.915 -6.363 -9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.383 -4.781 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.257 -6.045 -9.664 1.00 0.00 H new ATOM 818 N THR A 50 -5.134 -1.988 -7.198 1.00 0.00 N ATOM 819 CA THR A 50 -4.036 -1.046 -7.282 1.00 0.00 C ATOM 820 C THR A 50 -4.553 0.387 -7.273 1.00 0.00 C ATOM 821 O THR A 50 -5.676 0.657 -7.699 1.00 0.00 O ATOM 822 CB THR A 50 -3.193 -1.280 -8.548 1.00 0.00 C ATOM 823 OG1 THR A 50 -3.010 -2.691 -8.762 1.00 0.00 O ATOM 824 CG2 THR A 50 -1.833 -0.615 -8.417 1.00 0.00 C ATOM 0 H THR A 50 -5.942 -1.756 -7.776 1.00 0.00 H new ATOM 0 HA THR A 50 -3.404 -1.205 -6.409 1.00 0.00 H new ATOM 0 HB THR A 50 -3.722 -0.844 -9.396 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.348 -2.831 -9.470 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.253 -0.792 -9.322 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.965 0.458 -8.275 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.305 -1.033 -7.560 1.00 0.00 H new ATOM 832 N GLY A 51 -3.722 1.294 -6.791 1.00 0.00 N ATOM 833 CA GLY A 51 -4.098 2.685 -6.695 1.00 0.00 C ATOM 834 C GLY A 51 -3.036 3.500 -5.988 1.00 0.00 C ATOM 835 O GLY A 51 -1.897 3.047 -5.837 1.00 0.00 O ATOM 0 H GLY A 51 -2.780 1.087 -6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.262 3.088 -7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.042 2.771 -6.157 1.00 0.00 H new ATOM 839 N PHE A 52 -3.402 4.693 -5.550 1.00 0.00 N ATOM 840 CA PHE A 52 -2.476 5.575 -4.861 1.00 0.00 C ATOM 841 C PHE A 52 -2.788 5.610 -3.373 1.00 0.00 C ATOM 842 O PHE A 52 -3.950 5.552 -2.971 1.00 0.00 O ATOM 843 CB PHE A 52 -2.545 6.993 -5.441 1.00 0.00 C ATOM 844 CG PHE A 52 -1.867 7.160 -6.775 1.00 0.00 C ATOM 845 CD1 PHE A 52 -1.239 6.092 -7.397 1.00 0.00 C ATOM 846 CD2 PHE A 52 -1.850 8.397 -7.401 1.00 0.00 C ATOM 847 CE1 PHE A 52 -0.618 6.253 -8.618 1.00 0.00 C ATOM 848 CE2 PHE A 52 -1.228 8.562 -8.623 1.00 0.00 C ATOM 849 CZ PHE A 52 -0.609 7.490 -9.231 1.00 0.00 C ATOM 0 H PHE A 52 -4.341 5.075 -5.661 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.467 5.188 -5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.592 7.279 -5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.093 7.684 -4.730 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.236 5.123 -6.920 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.329 9.241 -6.927 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.139 5.411 -9.095 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.226 9.530 -9.102 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.118 7.618 -10.185 1.00 0.00 H new ATOM 859 N VAL A 53 -1.746 5.689 -2.563 1.00 0.00 N ATOM 860 CA VAL A 53 -1.899 5.753 -1.116 1.00 0.00 C ATOM 861 C VAL A 53 -1.130 6.930 -0.519 1.00 0.00 C ATOM 862 O VAL A 53 -0.109 7.361 -1.058 1.00 0.00 O ATOM 863 CB VAL A 53 -1.439 4.451 -0.425 1.00 0.00 C ATOM 864 CG1 VAL A 53 -2.394 3.316 -0.735 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.021 4.088 -0.836 1.00 0.00 C ATOM 0 H VAL A 53 -0.778 5.711 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.965 5.890 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.444 4.620 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.053 2.407 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.391 3.572 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.426 3.151 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.279 3.167 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.019 3.944 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.657 4.893 -0.552 1.00 0.00 H new ATOM 875 N PRO A 54 -1.633 7.464 0.605 1.00 0.00 N ATOM 876 CA PRO A 54 -1.009 8.583 1.318 1.00 0.00 C ATOM 877 C PRO A 54 0.256 8.167 2.068 1.00 0.00 C ATOM 878 O PRO A 54 0.250 7.204 2.837 1.00 0.00 O ATOM 879 CB PRO A 54 -2.099 9.013 2.305 1.00 0.00 C ATOM 880 CG PRO A 54 -2.887 7.774 2.554 1.00 0.00 C ATOM 881 CD PRO A 54 -2.869 7.011 1.263 1.00 0.00 C ATOM 0 HA PRO A 54 -0.685 9.372 0.640 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.668 9.401 3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.723 9.803 1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.448 7.187 3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.908 8.013 2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.860 5.935 1.435 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.748 7.229 0.657 1.00 0.00 H new ATOM 889 N SER A 55 1.326 8.925 1.865 1.00 0.00 N ATOM 890 CA SER A 55 2.625 8.621 2.457 1.00 0.00 C ATOM 891 C SER A 55 2.617 8.777 3.980 1.00 0.00 C ATOM 892 O SER A 55 3.552 8.357 4.660 1.00 0.00 O ATOM 893 CB SER A 55 3.684 9.532 1.839 1.00 0.00 C ATOM 894 OG SER A 55 3.237 10.880 1.820 1.00 0.00 O ATOM 0 H SER A 55 1.319 9.766 1.287 1.00 0.00 H new ATOM 0 HA SER A 55 2.857 7.577 2.245 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.611 9.459 2.408 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.906 9.203 0.824 1.00 0.00 H new ATOM 0 HG SER A 55 3.929 11.449 1.422 1.00 0.00 H new ATOM 900 N ASN A 56 1.562 9.380 4.515 1.00 0.00 N ATOM 901 CA ASN A 56 1.431 9.550 5.959 1.00 0.00 C ATOM 902 C ASN A 56 0.929 8.270 6.617 1.00 0.00 C ATOM 903 O ASN A 56 1.099 8.072 7.820 1.00 0.00 O ATOM 904 CB ASN A 56 0.489 10.714 6.290 1.00 0.00 C ATOM 905 CG ASN A 56 1.132 12.068 6.060 1.00 0.00 C ATOM 906 OD1 ASN A 56 2.341 12.225 6.209 1.00 0.00 O ATOM 907 ND2 ASN A 56 0.325 13.059 5.702 1.00 0.00 N ATOM 0 H ASN A 56 0.786 9.759 3.973 1.00 0.00 H new ATOM 0 HA ASN A 56 2.421 9.779 6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.410 10.634 5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.174 10.637 7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.704 13.992 5.540 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.674 12.888 5.589 1.00 0.00 H new ATOM 914 N TYR A 57 0.316 7.399 5.824 1.00 0.00 N ATOM 915 CA TYR A 57 -0.234 6.161 6.348 1.00 0.00 C ATOM 916 C TYR A 57 0.580 4.959 5.886 1.00 0.00 C ATOM 917 O TYR A 57 0.463 3.877 6.455 1.00 0.00 O ATOM 918 CB TYR A 57 -1.691 5.991 5.916 1.00 0.00 C ATOM 919 CG TYR A 57 -2.639 7.022 6.490 1.00 0.00 C ATOM 920 CD1 TYR A 57 -2.820 8.253 5.873 1.00 0.00 C ATOM 921 CD2 TYR A 57 -3.361 6.755 7.644 1.00 0.00 C ATOM 922 CE1 TYR A 57 -3.693 9.189 6.392 1.00 0.00 C ATOM 923 CE2 TYR A 57 -4.237 7.685 8.169 1.00 0.00 C ATOM 924 CZ TYR A 57 -4.400 8.900 7.539 1.00 0.00 C ATOM 925 OH TYR A 57 -5.276 9.827 8.054 1.00 0.00 O ATOM 0 H TYR A 57 0.189 7.529 4.820 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.188 6.216 7.436 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.742 6.035 4.828 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.031 4.998 6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.269 8.482 4.973 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.236 5.804 8.140 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.821 10.143 5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.791 7.461 9.068 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.694 9.467 8.864 1.00 0.00 H new ATOM 935 N VAL A 58 1.394 5.140 4.853 1.00 0.00 N ATOM 936 CA VAL A 58 2.196 4.045 4.319 1.00 0.00 C ATOM 937 C VAL A 58 3.665 4.445 4.209 1.00 0.00 C ATOM 938 O VAL A 58 3.980 5.615 3.974 1.00 0.00 O ATOM 939 CB VAL A 58 1.702 3.588 2.929 1.00 0.00 C ATOM 940 CG1 VAL A 58 0.247 3.185 2.968 1.00 0.00 C ATOM 941 CG2 VAL A 58 1.924 4.665 1.883 1.00 0.00 C ATOM 0 H VAL A 58 1.516 6.030 4.370 1.00 0.00 H new ATOM 0 HA VAL A 58 2.089 3.217 5.019 1.00 0.00 H new ATOM 0 HB VAL A 58 2.290 2.714 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.070 2.869 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.116 2.361 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.357 4.034 3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.566 4.312 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.378 5.565 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.988 4.892 1.815 1.00 0.00 H new ATOM 951 N GLU A 59 4.556 3.474 4.382 1.00 0.00 N ATOM 952 CA GLU A 59 5.996 3.708 4.278 1.00 0.00 C ATOM 953 C GLU A 59 6.690 2.462 3.745 1.00 0.00 C ATOM 954 O GLU A 59 6.085 1.390 3.674 1.00 0.00 O ATOM 955 CB GLU A 59 6.604 4.089 5.632 1.00 0.00 C ATOM 956 CG GLU A 59 5.999 5.337 6.248 1.00 0.00 C ATOM 957 CD GLU A 59 6.753 5.813 7.471 1.00 0.00 C ATOM 958 OE1 GLU A 59 7.055 4.985 8.356 1.00 0.00 O ATOM 959 OE2 GLU A 59 7.034 7.025 7.563 1.00 0.00 O ATOM 0 H GLU A 59 4.305 2.509 4.597 1.00 0.00 H new ATOM 0 HA GLU A 59 6.146 4.539 3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.477 3.256 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.676 4.240 5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.984 6.133 5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.963 5.136 6.521 1.00 0.00 H new ATOM 966 N ARG A 60 7.949 2.601 3.345 1.00 0.00 N ATOM 967 CA ARG A 60 8.722 1.445 2.917 1.00 0.00 C ATOM 968 C ARG A 60 9.102 0.617 4.133 1.00 0.00 C ATOM 969 O ARG A 60 9.219 1.145 5.240 1.00 0.00 O ATOM 970 CB ARG A 60 10.007 1.837 2.183 1.00 0.00 C ATOM 971 CG ARG A 60 9.830 2.822 1.041 1.00 0.00 C ATOM 972 CD ARG A 60 11.127 2.946 0.262 1.00 0.00 C ATOM 973 NE ARG A 60 11.199 4.161 -0.548 1.00 0.00 N ATOM 974 CZ ARG A 60 12.322 4.588 -1.129 1.00 0.00 C ATOM 975 NH1 ARG A 60 13.439 3.883 -1.014 1.00 0.00 N ATOM 976 NH2 ARG A 60 12.331 5.714 -1.824 1.00 0.00 N ATOM 0 H ARG A 60 8.449 3.489 3.309 1.00 0.00 H new ATOM 0 HA ARG A 60 8.096 0.878 2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.702 2.265 2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.472 0.932 1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.030 2.487 0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.535 3.796 1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.965 2.932 0.959 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.238 2.077 -0.387 1.00 0.00 H new ATOM 0 HE ARG A 60 10.349 4.710 -0.675 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.441 3.013 -0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.297 4.210 -1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.476 6.262 -1.918 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.193 6.034 -2.265 1.00 0.00 H new ATOM 990 N LYS A 61 9.304 -0.672 3.924 1.00 0.00 N ATOM 991 CA LYS A 61 9.730 -1.551 4.997 1.00 0.00 C ATOM 992 C LYS A 61 11.160 -1.219 5.420 1.00 0.00 C ATOM 993 O LYS A 61 12.003 -0.870 4.588 1.00 0.00 O ATOM 994 CB LYS A 61 9.638 -3.014 4.556 1.00 0.00 C ATOM 995 CG LYS A 61 10.524 -3.347 3.369 1.00 0.00 C ATOM 996 CD LYS A 61 10.436 -4.815 3.002 1.00 0.00 C ATOM 997 CE LYS A 61 11.362 -5.152 1.846 1.00 0.00 C ATOM 998 NZ LYS A 61 12.791 -4.952 2.199 1.00 0.00 N ATOM 0 H LYS A 61 9.180 -1.132 3.022 1.00 0.00 H new ATOM 0 HA LYS A 61 9.068 -1.400 5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.911 -3.655 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.603 -3.244 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.230 -2.739 2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.557 -3.091 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.695 -5.425 3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.409 -5.064 2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.205 -6.188 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.111 -4.530 0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.392 -5.409 1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.002 -3.934 2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.980 -5.372 3.131 1.00 0.00 H new ATOM 1012 N ASN A 62 11.429 -1.327 6.709 1.00 0.00 N ATOM 1013 CA ASN A 62 12.761 -1.066 7.238 1.00 0.00 C ATOM 1014 C ASN A 62 13.569 -2.351 7.237 1.00 0.00 C ATOM 1015 O ASN A 62 14.796 -2.338 7.342 1.00 0.00 O ATOM 1016 CB ASN A 62 12.666 -0.477 8.651 1.00 0.00 C ATOM 1017 CG ASN A 62 14.020 -0.112 9.236 1.00 0.00 C ATOM 1018 OD1 ASN A 62 14.547 0.976 8.988 1.00 0.00 O ATOM 1019 ND2 ASN A 62 14.575 -1.002 10.045 1.00 0.00 N ATOM 0 H ASN A 62 10.741 -1.595 7.413 1.00 0.00 H new ATOM 0 HA ASN A 62 13.266 -0.337 6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.036 0.412 8.626 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.176 -1.197 9.306 1.00 0.00 H new ATOM 0 HD21 ASN A 62 15.471 -0.799 10.489 1.00 0.00 H new ATOM 0 HD22 ASN A 62 14.107 -1.890 10.224 1.00 0.00 H new ATOM 1026 N SER A 63 12.867 -3.460 7.102 1.00 0.00 N ATOM 1027 CA SER A 63 13.508 -4.751 7.030 1.00 0.00 C ATOM 1028 C SER A 63 13.729 -5.150 5.572 1.00 0.00 C ATOM 1029 O SER A 63 12.830 -5.784 4.979 1.00 0.00 O ATOM 1030 CB SER A 63 12.657 -5.790 7.766 1.00 0.00 C ATOM 1031 OG SER A 63 11.312 -5.761 7.307 1.00 0.00 O ATOM 0 H SER A 63 11.849 -3.488 7.040 1.00 0.00 H new ATOM 0 HA SER A 63 14.484 -4.700 7.514 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.077 -6.784 7.613 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.684 -5.595 8.838 1.00 0.00 H new ATOM 0 HG SER A 63 11.300 -5.772 6.327 1.00 0.00 H new TER 1037 SER A 63