USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 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 1 GLY N :NH3+ -176:sc= 1.17 (180deg=1.16) USER MOD Set 1.2: B 3 MET CE :methyl 158:sc= -0.177 (180deg=-1.22) USER MOD Set 2.1: A 3 MET CE :methyl 158:sc= -0.182 (180deg=-1.16) USER MOD Set 2.2: B 1 GLY N :NH3+ -176:sc= 1.1 (180deg=1.09) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 154:sc= -1.82! (180deg=-2.86!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0446) USER MOD Single : A 15 SER OG : rot 20:sc= 0.837 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.286 K(o=-0.29,f=-2.5) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.013 K(o=-0.013,f=-1.5) USER MOD Single : A 28 LYS NZ :NH3+ 154:sc= 1.16 (180deg=0.811) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= -0.0141 (180deg=-0.167) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 154:sc= -1.91! (180deg=-3.07!) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 9 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0477) USER MOD Single : B 15 SER OG : rot 19:sc= 0.801 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= -0.225 K(o=-0.22,f=-2.3) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=-0.00073) USER MOD Single : B 22 ASN : amide:sc=-0.00975 K(o=-0.0098,f=-1.5) USER MOD Single : B 28 LYS NZ :NH3+ 154:sc= 1.19 (180deg=0.713) USER MOD Single : B 29 LYS NZ :NH3+ -168:sc= -0.0135 (180deg=-0.158) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.458 -1.558 -3.288 1.00 0.00 N ATOM 2 CA GLY A 1 25.038 -0.145 -3.428 1.00 0.00 C ATOM 3 C GLY A 1 23.549 -0.020 -3.665 1.00 0.00 C ATOM 4 O GLY A 1 22.758 -0.703 -3.014 1.00 0.00 O ATOM 0 H1 GLY A 1 26.472 -1.598 -3.060 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.913 -2.008 -2.525 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.284 -2.062 -4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.310 0.405 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.577 0.314 -4.257 1.00 0.00 H new ATOM 10 N SER A 2 23.172 0.853 -4.596 1.00 0.00 N ATOM 11 CA SER A 2 21.774 1.053 -4.972 1.00 0.00 C ATOM 12 C SER A 2 20.937 1.512 -3.778 1.00 0.00 C ATOM 13 O SER A 2 19.739 1.233 -3.705 1.00 0.00 O ATOM 14 CB SER A 2 21.187 -0.233 -5.555 1.00 0.00 C ATOM 15 OG SER A 2 22.013 -0.754 -6.589 1.00 0.00 O ATOM 0 H SER A 2 23.827 1.442 -5.111 1.00 0.00 H new ATOM 0 HA SER A 2 21.745 1.835 -5.731 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.077 -0.976 -4.765 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.190 -0.035 -5.948 1.00 0.00 H new ATOM 0 HG SER A 2 21.615 -1.577 -6.942 1.00 0.00 H new ATOM 21 N MET A 3 21.569 2.225 -2.852 1.00 0.00 N ATOM 22 CA MET A 3 20.879 2.698 -1.659 1.00 0.00 C ATOM 23 C MET A 3 19.807 3.709 -2.037 1.00 0.00 C ATOM 24 O MET A 3 18.692 3.662 -1.526 1.00 0.00 O ATOM 25 CB MET A 3 21.860 3.318 -0.661 1.00 0.00 C ATOM 26 CG MET A 3 22.813 2.313 -0.030 1.00 0.00 C ATOM 27 SD MET A 3 23.862 3.047 1.244 1.00 0.00 S ATOM 28 CE MET A 3 22.632 3.569 2.443 1.00 0.00 C ATOM 0 H MET A 3 22.553 2.487 -2.904 1.00 0.00 H new ATOM 0 HA MET A 3 20.407 1.840 -1.181 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.442 4.087 -1.168 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.295 3.814 0.128 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.237 1.497 0.406 1.00 0.00 H new ATOM 0 HG3 MET A 3 23.442 1.879 -0.807 1.00 0.00 H new ATOM 0 HE1 MET A 3 23.100 3.674 3.422 1.00 0.00 H new ATOM 0 HE2 MET A 3 22.210 4.527 2.138 1.00 0.00 H new ATOM 0 HE3 MET A 3 21.838 2.824 2.498 1.00 0.00 H new ATOM 38 N LYS A 4 20.151 4.608 -2.949 1.00 0.00 N ATOM 39 CA LYS A 4 19.208 5.607 -3.433 1.00 0.00 C ATOM 40 C LYS A 4 18.059 4.950 -4.199 1.00 0.00 C ATOM 41 O LYS A 4 16.917 5.403 -4.123 1.00 0.00 O ATOM 42 CB LYS A 4 19.924 6.628 -4.318 1.00 0.00 C ATOM 43 CG LYS A 4 19.034 7.770 -4.780 1.00 0.00 C ATOM 44 CD LYS A 4 19.821 8.842 -5.527 1.00 0.00 C ATOM 45 CE LYS A 4 20.514 9.822 -4.583 1.00 0.00 C ATOM 46 NZ LYS A 4 21.539 9.174 -3.718 1.00 0.00 N ATOM 0 H LYS A 4 21.078 4.666 -3.369 1.00 0.00 H new ATOM 0 HA LYS A 4 18.788 6.124 -2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.772 7.039 -3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.327 6.117 -5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.249 7.379 -5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.541 8.217 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.567 8.364 -6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.147 9.391 -6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.987 10.609 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.765 10.301 -3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.254 9.877 -3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.082 8.790 -2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.998 8.402 -4.242 1.00 0.00 H new ATOM 60 N GLN A 5 18.364 3.873 -4.923 1.00 0.00 N ATOM 61 CA GLN A 5 17.346 3.147 -5.673 1.00 0.00 C ATOM 62 C GLN A 5 16.338 2.524 -4.719 1.00 0.00 C ATOM 63 O GLN A 5 15.129 2.680 -4.886 1.00 0.00 O ATOM 64 CB GLN A 5 17.986 2.062 -6.541 1.00 0.00 C ATOM 65 CG GLN A 5 16.981 1.280 -7.375 1.00 0.00 C ATOM 66 CD GLN A 5 17.624 0.172 -8.184 1.00 0.00 C ATOM 67 OE1 GLN A 5 18.784 0.271 -8.587 1.00 0.00 O ATOM 68 NE2 GLN A 5 16.875 -0.892 -8.429 1.00 0.00 N ATOM 0 H GLN A 5 19.305 3.487 -5.004 1.00 0.00 H new ATOM 0 HA GLN A 5 16.830 3.852 -6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.717 2.523 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.531 1.369 -5.900 1.00 0.00 H new ATOM 0 HG2 GLN A 5 16.225 0.851 -6.717 1.00 0.00 H new ATOM 0 HG3 GLN A 5 16.465 1.964 -8.049 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.919 -0.934 -8.077 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.254 -1.669 -8.970 1.00 0.00 H new ATOM 77 N LEU A 6 16.847 1.833 -3.705 1.00 0.00 N ATOM 78 CA LEU A 6 15.992 1.211 -2.699 1.00 0.00 C ATOM 79 C LEU A 6 15.256 2.277 -1.895 1.00 0.00 C ATOM 80 O LEU A 6 14.143 2.051 -1.416 1.00 0.00 O ATOM 81 CB LEU A 6 16.801 0.304 -1.760 1.00 0.00 C ATOM 82 CG LEU A 6 17.417 -0.942 -2.408 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.273 -1.697 -1.403 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.326 -1.849 -2.959 1.00 0.00 C ATOM 0 H LEU A 6 17.846 1.689 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 6 15.262 0.591 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.603 0.894 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.152 -0.016 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 6 18.053 -0.622 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.702 -2.578 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.075 -1.049 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.656 -2.005 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 6 16.780 -2.729 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.668 -2.160 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.748 -1.309 -3.709 1.00 0.00 H new ATOM 96 N GLU A 7 15.884 3.439 -1.762 1.00 0.00 N ATOM 97 CA GLU A 7 15.291 4.564 -1.065 1.00 0.00 C ATOM 98 C GLU A 7 14.040 5.059 -1.794 1.00 0.00 C ATOM 99 O GLU A 7 13.030 5.368 -1.167 1.00 0.00 O ATOM 100 CB GLU A 7 16.323 5.685 -0.937 1.00 0.00 C ATOM 101 CG GLU A 7 15.846 6.889 -0.153 1.00 0.00 C ATOM 102 CD GLU A 7 16.916 7.948 -0.031 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.589 7.999 1.018 1.00 0.00 O ATOM 104 OE2 GLU A 7 17.097 8.736 -0.983 1.00 0.00 O ATOM 0 H GLU A 7 16.815 3.624 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 7 14.987 4.244 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.217 5.286 -0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.614 6.010 -1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.969 7.315 -0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.535 6.573 0.842 1.00 0.00 H new ATOM 111 N ASP A 8 14.109 5.127 -3.120 1.00 0.00 N ATOM 112 CA ASP A 8 12.941 5.491 -3.922 1.00 0.00 C ATOM 113 C ASP A 8 11.811 4.498 -3.687 1.00 0.00 C ATOM 114 O ASP A 8 10.664 4.882 -3.480 1.00 0.00 O ATOM 115 CB ASP A 8 13.278 5.539 -5.417 1.00 0.00 C ATOM 116 CG ASP A 8 13.887 6.859 -5.845 1.00 0.00 C ATOM 117 OD1 ASP A 8 15.122 6.928 -6.015 1.00 0.00 O ATOM 118 OD2 ASP A 8 13.132 7.836 -6.022 1.00 0.00 O ATOM 0 H ASP A 8 14.953 4.937 -3.660 1.00 0.00 H new ATOM 0 HA ASP A 8 12.625 6.486 -3.610 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.971 4.732 -5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.371 5.360 -5.994 1.00 0.00 H new ATOM 123 N LYS A 9 12.157 3.218 -3.720 1.00 0.00 N ATOM 124 CA LYS A 9 11.178 2.138 -3.487 1.00 0.00 C ATOM 125 C LYS A 9 10.519 2.262 -2.118 1.00 0.00 C ATOM 126 O LYS A 9 9.293 2.288 -2.016 1.00 0.00 O ATOM 127 CB LYS A 9 11.819 0.748 -3.553 1.00 0.00 C ATOM 128 CG LYS A 9 12.910 0.580 -4.608 1.00 0.00 C ATOM 129 CD LYS A 9 12.374 0.697 -6.033 1.00 0.00 C ATOM 130 CE LYS A 9 11.356 -0.390 -6.360 1.00 0.00 C ATOM 131 NZ LYS A 9 11.970 -1.745 -6.383 1.00 0.00 N ATOM 0 H LYS A 9 13.105 2.891 -3.905 1.00 0.00 H new ATOM 0 HA LYS A 9 10.439 2.245 -4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.243 0.515 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.036 0.014 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.681 1.334 -4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.385 -0.393 -4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.913 1.676 -6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.204 0.638 -6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.554 -0.369 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.903 -0.182 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.267 -2.439 -6.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.783 -1.747 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.289 -1.998 -5.426 1.00 0.00 H new ATOM 145 N VAL A 10 11.343 2.326 -1.072 1.00 0.00 N ATOM 146 CA VAL A 10 10.851 2.305 0.303 1.00 0.00 C ATOM 147 C VAL A 10 9.933 3.499 0.534 1.00 0.00 C ATOM 148 O VAL A 10 8.949 3.421 1.267 1.00 0.00 O ATOM 149 CB VAL A 10 12.003 2.304 1.341 1.00 0.00 C ATOM 150 CG1 VAL A 10 12.807 3.592 1.302 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.459 2.060 2.737 1.00 0.00 C ATOM 0 H VAL A 10 12.358 2.393 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 10 10.296 1.378 0.443 1.00 0.00 H new ATOM 0 HB VAL A 10 12.679 1.491 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.603 3.547 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.243 3.719 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.153 4.436 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.281 2.062 3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.751 2.848 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.954 1.094 2.767 1.00 0.00 H new ATOM 161 N GLU A 11 10.259 4.594 -0.132 1.00 0.00 N ATOM 162 CA GLU A 11 9.442 5.803 -0.062 1.00 0.00 C ATOM 163 C GLU A 11 8.165 5.685 -0.898 1.00 0.00 C ATOM 164 O GLU A 11 7.074 5.996 -0.409 1.00 0.00 O ATOM 165 CB GLU A 11 10.240 7.028 -0.501 1.00 0.00 C ATOM 166 CG GLU A 11 11.255 7.495 0.529 1.00 0.00 C ATOM 167 CD GLU A 11 11.806 8.867 0.214 1.00 0.00 C ATOM 168 OE1 GLU A 11 11.062 9.860 0.368 1.00 0.00 O ATOM 169 OE2 GLU A 11 12.990 8.971 -0.170 1.00 0.00 O ATOM 0 H GLU A 11 11.083 4.675 -0.728 1.00 0.00 H new ATOM 0 HA GLU A 11 9.149 5.924 0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.759 6.799 -1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.549 7.844 -0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.788 7.511 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.076 6.779 0.577 1.00 0.00 H new ATOM 176 N GLU A 12 8.296 5.251 -2.153 1.00 0.00 N ATOM 177 CA GLU A 12 7.146 5.125 -3.046 1.00 0.00 C ATOM 178 C GLU A 12 6.079 4.212 -2.440 1.00 0.00 C ATOM 179 O GLU A 12 4.950 4.632 -2.202 1.00 0.00 O ATOM 180 CB GLU A 12 7.597 4.574 -4.402 1.00 0.00 C ATOM 181 CG GLU A 12 6.516 4.600 -5.468 1.00 0.00 C ATOM 182 CD GLU A 12 6.040 6.002 -5.773 1.00 0.00 C ATOM 183 OE1 GLU A 12 4.888 6.333 -5.426 1.00 0.00 O ATOM 184 OE2 GLU A 12 6.818 6.785 -6.354 1.00 0.00 O ATOM 0 H GLU A 12 9.186 4.982 -2.572 1.00 0.00 H new ATOM 0 HA GLU A 12 6.710 6.114 -3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.452 5.152 -4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.939 3.547 -4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.899 4.143 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.671 3.996 -5.139 1.00 0.00 H new ATOM 191 N LEU A 13 6.461 2.969 -2.197 1.00 0.00 N ATOM 192 CA LEU A 13 5.577 1.962 -1.612 1.00 0.00 C ATOM 193 C LEU A 13 4.940 2.425 -0.298 1.00 0.00 C ATOM 194 O LEU A 13 3.772 2.149 -0.052 1.00 0.00 O ATOM 195 CB LEU A 13 6.354 0.666 -1.382 1.00 0.00 C ATOM 196 CG LEU A 13 6.931 0.024 -2.644 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.823 -1.150 -2.282 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.813 -0.424 -3.574 1.00 0.00 C ATOM 0 H LEU A 13 7.399 2.623 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 13 4.765 1.795 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.171 0.868 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.695 -0.053 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 13 7.534 0.768 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.225 -1.595 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.644 -0.803 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.241 -1.895 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.243 -0.878 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.184 -1.153 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.210 0.438 -3.860 1.00 0.00 H new ATOM 210 N LEU A 14 5.701 3.116 0.546 1.00 0.00 N ATOM 211 CA LEU A 14 5.184 3.598 1.826 1.00 0.00 C ATOM 212 C LEU A 14 4.082 4.635 1.616 1.00 0.00 C ATOM 213 O LEU A 14 3.026 4.562 2.243 1.00 0.00 O ATOM 214 CB LEU A 14 6.316 4.179 2.689 1.00 0.00 C ATOM 215 CG LEU A 14 5.882 4.771 4.035 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.325 3.689 4.948 1.00 0.00 C ATOM 217 CD2 LEU A 14 7.050 5.483 4.701 1.00 0.00 C ATOM 0 H LEU A 14 6.677 3.355 0.368 1.00 0.00 H new ATOM 0 HA LEU A 14 4.753 2.748 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.047 3.392 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.823 4.956 2.117 1.00 0.00 H new ATOM 0 HG LEU A 14 5.091 5.498 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.024 4.133 5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.461 3.223 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.091 2.935 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.727 5.898 5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.860 4.774 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.401 6.288 4.056 1.00 0.00 H new ATOM 229 N SER A 15 4.313 5.586 0.718 1.00 0.00 N ATOM 230 CA SER A 15 3.312 6.599 0.425 1.00 0.00 C ATOM 231 C SER A 15 2.162 5.993 -0.379 1.00 0.00 C ATOM 232 O SER A 15 1.024 6.462 -0.316 1.00 0.00 O ATOM 233 CB SER A 15 3.954 7.772 -0.321 1.00 0.00 C ATOM 234 OG SER A 15 4.809 7.316 -1.357 1.00 0.00 O ATOM 0 H SER A 15 5.178 5.675 0.185 1.00 0.00 H new ATOM 0 HA SER A 15 2.902 6.977 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.175 8.408 -0.742 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.522 8.385 0.379 1.00 0.00 H new ATOM 0 HG SER A 15 4.580 6.391 -1.587 1.00 0.00 H new ATOM 240 N LYS A 16 2.473 4.941 -1.126 1.00 0.00 N ATOM 241 CA LYS A 16 1.469 4.198 -1.871 1.00 0.00 C ATOM 242 C LYS A 16 0.571 3.442 -0.899 1.00 0.00 C ATOM 243 O LYS A 16 -0.653 3.532 -0.976 1.00 0.00 O ATOM 244 CB LYS A 16 2.151 3.221 -2.837 1.00 0.00 C ATOM 245 CG LYS A 16 1.205 2.527 -3.804 1.00 0.00 C ATOM 246 CD LYS A 16 0.556 3.518 -4.763 1.00 0.00 C ATOM 247 CE LYS A 16 -0.363 2.831 -5.767 1.00 0.00 C ATOM 248 NZ LYS A 16 -1.147 3.813 -6.560 1.00 0.00 N ATOM 0 H LYS A 16 3.422 4.582 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 16 0.860 4.892 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.903 3.762 -3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.677 2.463 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.752 1.775 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.431 2.002 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.015 4.251 -4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.332 4.064 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.231 2.213 -6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.044 2.164 -5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.760 3.307 -7.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.733 4.387 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.498 4.434 -7.084 1.00 0.00 H new ATOM 262 N ASN A 17 1.198 2.726 0.031 1.00 0.00 N ATOM 263 CA ASN A 17 0.482 1.982 1.066 1.00 0.00 C ATOM 264 C ASN A 17 -0.445 2.908 1.835 1.00 0.00 C ATOM 265 O ASN A 17 -1.593 2.570 2.125 1.00 0.00 O ATOM 266 CB ASN A 17 1.480 1.344 2.032 1.00 0.00 C ATOM 267 CG ASN A 17 0.813 0.435 3.053 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.206 -0.190 2.771 1.00 0.00 O ATOM 269 ND2 ASN A 17 1.383 0.348 4.251 1.00 0.00 N ATOM 0 H ASN A 17 2.213 2.645 0.089 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.110 1.202 0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.212 0.770 1.464 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.027 2.129 2.554 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.974 -0.251 4.968 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.229 0.880 4.453 1.00 0.00 H new ATOM 276 N TYR A 18 0.072 4.089 2.138 1.00 0.00 N ATOM 277 CA TYR A 18 -0.661 5.114 2.835 1.00 0.00 C ATOM 278 C TYR A 18 -1.964 5.443 2.110 1.00 0.00 C ATOM 279 O TYR A 18 -2.995 5.680 2.740 1.00 0.00 O ATOM 280 CB TYR A 18 0.239 6.342 2.937 1.00 0.00 C ATOM 281 CG TYR A 18 -0.431 7.553 3.505 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.561 7.719 4.870 1.00 0.00 C ATOM 283 CD2 TYR A 18 -0.925 8.536 2.669 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.170 8.834 5.391 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.536 9.654 3.176 1.00 0.00 C ATOM 286 CZ TYR A 18 -1.659 9.804 4.540 1.00 0.00 C ATOM 287 OH TYR A 18 -2.272 10.926 5.051 1.00 0.00 O ATOM 0 H TYR A 18 1.027 4.358 1.900 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.935 4.769 3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.102 6.095 3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.618 6.583 1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.178 6.961 5.537 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.828 8.422 1.599 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.266 8.951 6.460 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.919 10.413 2.510 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.557 11.507 4.315 1.00 0.00 H new ATOM 297 N HIS A 19 -1.914 5.439 0.784 1.00 0.00 N ATOM 298 CA HIS A 19 -3.088 5.732 -0.020 1.00 0.00 C ATOM 299 C HIS A 19 -4.134 4.632 0.138 1.00 0.00 C ATOM 300 O HIS A 19 -5.269 4.900 0.528 1.00 0.00 O ATOM 301 CB HIS A 19 -2.713 5.889 -1.498 1.00 0.00 C ATOM 302 CG HIS A 19 -3.844 6.374 -2.358 1.00 0.00 C ATOM 303 ND1 HIS A 19 -4.406 5.621 -3.367 1.00 0.00 N ATOM 304 CD2 HIS A 19 -4.516 7.551 -2.354 1.00 0.00 C ATOM 305 CE1 HIS A 19 -5.371 6.313 -3.944 1.00 0.00 C ATOM 306 NE2 HIS A 19 -5.459 7.487 -3.348 1.00 0.00 N ATOM 0 H HIS A 19 -1.072 5.236 0.245 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.510 6.673 0.333 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.880 6.587 -1.580 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.364 4.929 -1.879 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.341 8.385 -1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.985 5.975 -4.766 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -6.120 8.226 -3.587 1.00 0.00 H new ATOM 315 N LEU A 20 -3.737 3.395 -0.136 1.00 0.00 N ATOM 316 CA LEU A 20 -4.686 2.281 -0.146 1.00 0.00 C ATOM 317 C LEU A 20 -5.240 2.004 1.245 1.00 0.00 C ATOM 318 O LEU A 20 -6.434 1.752 1.391 1.00 0.00 O ATOM 319 CB LEU A 20 -4.083 0.993 -0.734 1.00 0.00 C ATOM 320 CG LEU A 20 -3.784 1.016 -2.243 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.018 1.430 -3.029 1.00 0.00 C ATOM 322 CD2 LEU A 20 -2.619 1.933 -2.571 1.00 0.00 C ATOM 0 H LEU A 20 -2.774 3.136 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.503 2.592 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.156 0.774 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.768 0.170 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.503 0.004 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.785 1.440 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.824 0.721 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.331 2.426 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.439 1.922 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.855 2.949 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.726 1.587 -2.050 1.00 0.00 H new ATOM 334 N GLU A 21 -4.387 2.074 2.261 1.00 0.00 N ATOM 335 CA GLU A 21 -4.813 1.794 3.629 1.00 0.00 C ATOM 336 C GLU A 21 -5.941 2.731 4.052 1.00 0.00 C ATOM 337 O GLU A 21 -6.912 2.310 4.689 1.00 0.00 O ATOM 338 CB GLU A 21 -3.640 1.927 4.601 1.00 0.00 C ATOM 339 CG GLU A 21 -3.959 1.424 6.000 1.00 0.00 C ATOM 340 CD GLU A 21 -2.885 1.773 7.007 1.00 0.00 C ATOM 341 OE1 GLU A 21 -2.871 2.923 7.495 1.00 0.00 O ATOM 342 OE2 GLU A 21 -2.058 0.895 7.330 1.00 0.00 O ATOM 0 H GLU A 21 -3.402 2.321 2.165 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.180 0.768 3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.787 1.373 4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.341 2.974 4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.908 1.849 6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.087 0.342 5.972 1.00 0.00 H new ATOM 349 N ASN A 22 -5.813 3.996 3.679 1.00 0.00 N ATOM 350 CA ASN A 22 -6.815 4.999 4.016 1.00 0.00 C ATOM 351 C ASN A 22 -8.087 4.794 3.201 1.00 0.00 C ATOM 352 O ASN A 22 -9.192 4.967 3.712 1.00 0.00 O ATOM 353 CB ASN A 22 -6.259 6.406 3.785 1.00 0.00 C ATOM 354 CG ASN A 22 -5.228 6.807 4.825 1.00 0.00 C ATOM 355 OD1 ASN A 22 -4.552 5.961 5.415 1.00 0.00 O ATOM 356 ND2 ASN A 22 -5.090 8.103 5.049 1.00 0.00 N ATOM 0 H ASN A 22 -5.023 4.354 3.141 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.064 4.888 5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.808 6.456 2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.080 7.123 3.798 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.406 8.433 5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.668 8.773 4.541 1.00 0.00 H new ATOM 363 N GLU A 23 -7.927 4.406 1.938 1.00 0.00 N ATOM 364 CA GLU A 23 -9.070 4.173 1.060 1.00 0.00 C ATOM 365 C GLU A 23 -9.906 3.001 1.560 1.00 0.00 C ATOM 366 O GLU A 23 -11.137 3.045 1.514 1.00 0.00 O ATOM 367 CB GLU A 23 -8.612 3.914 -0.376 1.00 0.00 C ATOM 368 CG GLU A 23 -7.935 5.109 -1.024 1.00 0.00 C ATOM 369 CD GLU A 23 -8.802 6.351 -1.001 1.00 0.00 C ATOM 370 OE1 GLU A 23 -8.554 7.240 -0.156 1.00 0.00 O ATOM 371 OE2 GLU A 23 -9.730 6.447 -1.829 1.00 0.00 O ATOM 0 H GLU A 23 -7.019 4.247 1.501 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.686 5.072 1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.923 3.070 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.474 3.626 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.997 5.315 -0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.684 4.864 -2.056 1.00 0.00 H new ATOM 378 N VAL A 24 -9.230 1.959 2.041 1.00 0.00 N ATOM 379 CA VAL A 24 -9.908 0.801 2.613 1.00 0.00 C ATOM 380 C VAL A 24 -10.835 1.242 3.742 1.00 0.00 C ATOM 381 O VAL A 24 -12.015 0.900 3.757 1.00 0.00 O ATOM 382 CB VAL A 24 -8.907 -0.245 3.158 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.631 -1.374 3.878 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.057 -0.808 2.034 1.00 0.00 C ATOM 0 H VAL A 24 -8.212 1.895 2.045 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.484 0.336 1.813 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.258 0.259 3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.903 -2.094 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.199 -0.967 4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.311 -1.870 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.359 -1.542 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.701 -1.287 1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.500 -0.000 1.560 1.00 0.00 H new ATOM 394 N ALA A 25 -10.287 2.030 4.665 1.00 0.00 N ATOM 395 CA ALA A 25 -11.044 2.534 5.809 1.00 0.00 C ATOM 396 C ALA A 25 -12.305 3.275 5.369 1.00 0.00 C ATOM 397 O ALA A 25 -13.376 3.079 5.941 1.00 0.00 O ATOM 398 CB ALA A 25 -10.168 3.446 6.652 1.00 0.00 C ATOM 0 H ALA A 25 -9.314 2.335 4.642 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.355 1.677 6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.741 3.817 7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.303 2.889 7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.831 4.288 6.047 1.00 0.00 H new ATOM 404 N ARG A 26 -12.172 4.109 4.341 1.00 0.00 N ATOM 405 CA ARG A 26 -13.285 4.895 3.827 1.00 0.00 C ATOM 406 C ARG A 26 -14.388 3.978 3.331 1.00 0.00 C ATOM 407 O ARG A 26 -15.540 4.081 3.753 1.00 0.00 O ATOM 408 CB ARG A 26 -12.833 5.794 2.671 1.00 0.00 C ATOM 409 CG ARG A 26 -11.651 6.690 2.997 1.00 0.00 C ATOM 410 CD ARG A 26 -11.958 7.655 4.130 1.00 0.00 C ATOM 411 NE ARG A 26 -10.812 8.515 4.422 1.00 0.00 N ATOM 412 CZ ARG A 26 -10.755 9.366 5.443 1.00 0.00 C ATOM 413 NH1 ARG A 26 -11.777 9.476 6.282 1.00 0.00 N ATOM 414 NH2 ARG A 26 -9.670 10.110 5.626 1.00 0.00 N ATOM 0 H ARG A 26 -11.293 4.257 3.844 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.657 5.518 4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.573 5.166 1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.672 6.418 2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.794 6.074 3.269 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.369 7.254 2.108 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.818 8.270 3.864 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.231 7.094 5.024 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.004 8.459 3.803 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.612 8.906 6.146 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.728 10.130 7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.882 10.029 4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.625 10.763 6.408 1.00 0.00 H new ATOM 428 N LEU A 27 -14.015 3.065 2.447 1.00 0.00 N ATOM 429 CA LEU A 27 -14.966 2.131 1.860 1.00 0.00 C ATOM 430 C LEU A 27 -15.598 1.234 2.923 1.00 0.00 C ATOM 431 O LEU A 27 -16.703 0.728 2.731 1.00 0.00 O ATOM 432 CB LEU A 27 -14.274 1.287 0.788 1.00 0.00 C ATOM 433 CG LEU A 27 -13.690 2.084 -0.375 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.884 1.178 -1.283 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.793 2.778 -1.159 1.00 0.00 C ATOM 0 H LEU A 27 -13.056 2.950 2.119 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.768 2.708 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.473 0.715 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.991 0.567 0.393 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.027 2.848 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.474 1.761 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.069 0.727 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.528 0.393 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.355 3.340 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.483 2.032 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.333 3.459 -0.502 1.00 0.00 H new ATOM 447 N LYS A 28 -14.914 1.068 4.055 1.00 0.00 N ATOM 448 CA LYS A 28 -15.412 0.221 5.128 1.00 0.00 C ATOM 449 C LYS A 28 -16.679 0.800 5.736 1.00 0.00 C ATOM 450 O LYS A 28 -17.714 0.134 5.769 1.00 0.00 O ATOM 451 CB LYS A 28 -14.369 0.036 6.233 1.00 0.00 C ATOM 452 CG LYS A 28 -13.232 -0.909 5.884 1.00 0.00 C ATOM 453 CD LYS A 28 -13.735 -2.316 5.604 1.00 0.00 C ATOM 454 CE LYS A 28 -12.589 -3.313 5.526 1.00 0.00 C ATOM 455 NZ LYS A 28 -11.886 -3.453 6.828 1.00 0.00 N ATOM 0 H LYS A 28 -14.015 1.510 4.248 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.631 -0.750 4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.949 1.010 6.484 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.870 -0.335 7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.701 -0.532 5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.516 -0.935 6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.429 -2.618 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.291 -2.325 4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.974 -4.284 5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.880 -2.992 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.442 -4.392 6.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.154 -2.719 6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.569 -3.347 7.605 1.00 0.00 H new ATOM 469 N LYS A 29 -16.616 2.047 6.205 1.00 0.00 N ATOM 470 CA LYS A 29 -17.786 2.629 6.865 1.00 0.00 C ATOM 471 C LYS A 29 -18.843 3.039 5.847 1.00 0.00 C ATOM 472 O LYS A 29 -19.951 3.433 6.209 1.00 0.00 O ATOM 473 CB LYS A 29 -17.442 3.808 7.787 1.00 0.00 C ATOM 474 CG LYS A 29 -16.969 5.062 7.080 1.00 0.00 C ATOM 475 CD LYS A 29 -15.478 5.038 6.828 1.00 0.00 C ATOM 476 CE LYS A 29 -14.678 5.106 8.122 1.00 0.00 C ATOM 477 NZ LYS A 29 -14.849 6.409 8.818 1.00 0.00 N ATOM 0 H LYS A 29 -15.799 2.655 6.145 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.191 1.843 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.323 4.054 8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.668 3.489 8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.496 5.165 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.222 5.935 7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.217 4.128 6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.205 5.878 6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.991 4.298 8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.622 4.948 7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.141 6.494 9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.723 7.185 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.803 6.461 9.229 1.00 0.00 H new ATOM 491 N LEU A 30 -18.499 2.945 4.570 1.00 0.00 N ATOM 492 CA LEU A 30 -19.465 3.179 3.508 1.00 0.00 C ATOM 493 C LEU A 30 -20.283 1.916 3.259 1.00 0.00 C ATOM 494 O LEU A 30 -21.511 1.941 3.343 1.00 0.00 O ATOM 495 CB LEU A 30 -18.762 3.621 2.209 1.00 0.00 C ATOM 496 CG LEU A 30 -18.532 5.134 2.008 1.00 0.00 C ATOM 497 CD1 LEU A 30 -18.120 5.818 3.304 1.00 0.00 C ATOM 498 CD2 LEU A 30 -17.466 5.351 0.947 1.00 0.00 C ATOM 0 H LEU A 30 -17.561 2.709 4.246 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.132 3.981 3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -17.793 3.124 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.348 3.254 1.367 1.00 0.00 H new ATOM 0 HG LEU A 30 -19.473 5.578 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.967 6.882 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -18.904 5.687 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -17.193 5.376 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -17.305 6.420 0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.535 4.883 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.793 4.907 0.007 1.00 0.00 H new ATOM 510 N VAL A 31 -19.605 0.808 2.955 1.00 0.00 N ATOM 511 CA VAL A 31 -20.286 -0.459 2.724 1.00 0.00 C ATOM 512 C VAL A 31 -20.933 -1.003 4.008 1.00 0.00 C ATOM 513 O VAL A 31 -21.967 -1.668 3.955 1.00 0.00 O ATOM 514 CB VAL A 31 -19.321 -1.516 2.133 1.00 0.00 C ATOM 515 CG1 VAL A 31 -18.229 -1.898 3.122 1.00 0.00 C ATOM 516 CG2 VAL A 31 -20.086 -2.744 1.679 1.00 0.00 C ATOM 0 H VAL A 31 -18.590 0.766 2.864 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.077 -0.262 2.001 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.835 -1.068 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.573 -2.642 2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.649 -1.013 3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.682 -2.313 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.390 -3.475 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -20.610 -3.181 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -20.809 -2.460 0.914 1.00 0.00 H new ATOM 526 N GLY A 32 -20.334 -0.715 5.159 1.00 0.00 N ATOM 527 CA GLY A 32 -20.890 -1.168 6.414 1.00 0.00 C ATOM 528 C GLY A 32 -19.974 -2.142 7.127 1.00 0.00 C ATOM 529 O GLY A 32 -19.872 -2.113 8.354 1.00 0.00 O ATOM 0 H GLY A 32 -19.473 -0.175 5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.076 -0.309 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -21.853 -1.644 6.232 1.00 0.00 H new ATOM 533 N GLU A 33 -19.321 -3.003 6.349 1.00 0.00 N ATOM 534 CA GLU A 33 -18.409 -4.019 6.877 1.00 0.00 C ATOM 535 C GLU A 33 -19.166 -4.994 7.778 1.00 0.00 C ATOM 536 O GLU A 33 -19.172 -4.803 9.013 1.00 0.00 O ATOM 537 CB GLU A 33 -17.238 -3.377 7.641 1.00 0.00 C ATOM 538 CG GLU A 33 -16.191 -4.379 8.111 1.00 0.00 C ATOM 539 CD GLU A 33 -15.129 -3.750 8.990 1.00 0.00 C ATOM 540 OE1 GLU A 33 -15.447 -3.374 10.138 1.00 0.00 O ATOM 541 OE2 GLU A 33 -13.966 -3.648 8.549 1.00 0.00 O ATOM 542 OXT GLU A 33 -19.775 -5.940 7.235 1.00 0.00 O ATOM 0 H GLU A 33 -19.409 -3.017 5.333 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.993 -4.570 6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.759 -2.638 6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -17.630 -2.842 8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.683 -5.181 8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.715 -4.834 7.243 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 25.506 1.400 3.568 1.00 0.00 N ATOM 551 CA GLY B 1 25.102 -0.019 3.717 1.00 0.00 C ATOM 552 C GLY B 1 23.619 -0.159 3.978 1.00 0.00 C ATOM 553 O GLY B 1 22.811 0.516 3.340 1.00 0.00 O ATOM 0 H1 GLY B 1 26.516 1.450 3.323 1.00 0.00 H new ATOM 0 H2 GLY B 1 24.945 1.843 2.813 1.00 0.00 H new ATOM 0 H3 GLY B 1 25.342 1.904 4.463 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.365 -0.568 2.813 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.659 -0.471 4.538 1.00 0.00 H new ATOM 559 N SER B 2 23.265 -1.037 4.917 1.00 0.00 N ATOM 560 CA SER B 2 21.875 -1.258 5.310 1.00 0.00 C ATOM 561 C SER B 2 21.027 -1.726 4.128 1.00 0.00 C ATOM 562 O SER B 2 19.823 -1.467 4.075 1.00 0.00 O ATOM 563 CB SER B 2 21.286 0.023 5.905 1.00 0.00 C ATOM 564 OG SER B 2 22.133 0.555 6.914 1.00 0.00 O ATOM 0 H SER B 2 23.934 -1.614 5.426 1.00 0.00 H new ATOM 0 HA SER B 2 21.862 -2.045 6.064 1.00 0.00 H new ATOM 0 HB2 SER B 2 21.145 0.763 5.117 1.00 0.00 H new ATOM 0 HB3 SER B 2 20.302 -0.186 6.325 1.00 0.00 H new ATOM 0 HG SER B 2 21.735 1.374 7.277 1.00 0.00 H new ATOM 570 N MET B 3 21.656 -2.430 3.191 1.00 0.00 N ATOM 571 CA MET B 3 20.955 -2.911 2.009 1.00 0.00 C ATOM 572 C MET B 3 19.903 -3.934 2.400 1.00 0.00 C ATOM 573 O MET B 3 18.780 -3.902 1.904 1.00 0.00 O ATOM 574 CB MET B 3 21.929 -3.519 0.995 1.00 0.00 C ATOM 575 CG MET B 3 22.859 -2.501 0.351 1.00 0.00 C ATOM 576 SD MET B 3 23.901 -3.218 -0.938 1.00 0.00 S ATOM 577 CE MET B 3 22.662 -3.760 -2.118 1.00 0.00 C ATOM 0 H MET B 3 22.645 -2.678 3.228 1.00 0.00 H new ATOM 0 HA MET B 3 20.466 -2.058 1.539 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.528 -4.281 1.493 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.359 -4.022 0.214 1.00 0.00 H new ATOM 0 HG2 MET B 3 22.265 -1.693 -0.076 1.00 0.00 H new ATOM 0 HG3 MET B 3 23.493 -2.058 1.119 1.00 0.00 H new ATOM 0 HE1 MET B 3 23.116 -3.857 -3.104 1.00 0.00 H new ATOM 0 HE2 MET B 3 22.260 -4.724 -1.807 1.00 0.00 H new ATOM 0 HE3 MET B 3 21.856 -3.028 -2.161 1.00 0.00 H new ATOM 587 N LYS B 4 20.268 -4.828 3.311 1.00 0.00 N ATOM 588 CA LYS B 4 19.342 -5.840 3.802 1.00 0.00 C ATOM 589 C LYS B 4 18.199 -5.199 4.589 1.00 0.00 C ATOM 590 O LYS B 4 17.062 -5.671 4.535 1.00 0.00 O ATOM 591 CB LYS B 4 20.082 -6.856 4.673 1.00 0.00 C ATOM 592 CG LYS B 4 19.211 -8.011 5.147 1.00 0.00 C ATOM 593 CD LYS B 4 20.020 -9.072 5.883 1.00 0.00 C ATOM 594 CE LYS B 4 20.720 -10.037 4.932 1.00 0.00 C ATOM 595 NZ LYS B 4 21.723 -9.368 4.059 1.00 0.00 N ATOM 0 H LYS B 4 21.199 -4.872 3.725 1.00 0.00 H new ATOM 0 HA LYS B 4 18.915 -6.357 2.943 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.925 -7.257 4.110 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.494 -6.343 5.542 1.00 0.00 H new ATOM 0 HG2 LYS B 4 18.430 -7.630 5.805 1.00 0.00 H new ATOM 0 HG3 LYS B 4 18.713 -8.465 4.290 1.00 0.00 H new ATOM 0 HD2 LYS B 4 20.764 -8.585 6.513 1.00 0.00 H new ATOM 0 HD3 LYS B 4 19.360 -9.633 6.544 1.00 0.00 H new ATOM 0 HE2 LYS B 4 21.214 -10.816 5.512 1.00 0.00 H new ATOM 0 HE3 LYS B 4 19.974 -10.529 4.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 22.448 -10.056 3.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 21.250 -8.991 3.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 22.172 -8.588 4.580 1.00 0.00 H new ATOM 609 N GLN B 5 18.498 -4.116 5.303 1.00 0.00 N ATOM 610 CA GLN B 5 17.483 -3.407 6.069 1.00 0.00 C ATOM 611 C GLN B 5 16.453 -2.796 5.133 1.00 0.00 C ATOM 612 O GLN B 5 15.250 -2.965 5.322 1.00 0.00 O ATOM 613 CB GLN B 5 18.119 -2.314 6.928 1.00 0.00 C ATOM 614 CG GLN B 5 17.116 -1.549 7.778 1.00 0.00 C ATOM 615 CD GLN B 5 17.757 -0.431 8.574 1.00 0.00 C ATOM 616 OE1 GLN B 5 18.925 -0.510 8.948 1.00 0.00 O ATOM 617 NE2 GLN B 5 16.998 0.618 8.838 1.00 0.00 N ATOM 0 H GLN B 5 19.433 -3.713 5.365 1.00 0.00 H new ATOM 0 HA GLN B 5 16.989 -4.122 6.727 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.867 -2.765 7.580 1.00 0.00 H new ATOM 0 HB3 GLN B 5 18.643 -1.612 6.279 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.342 -1.133 7.133 1.00 0.00 H new ATOM 0 HG3 GLN B 5 16.623 -2.240 8.462 1.00 0.00 H new ATOM 0 HE21 GLN B 5 16.033 0.645 8.509 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.377 1.401 9.370 1.00 0.00 H new ATOM 626 N LEU B 6 16.938 -2.100 4.111 1.00 0.00 N ATOM 627 CA LEU B 6 16.059 -1.486 3.118 1.00 0.00 C ATOM 628 C LEU B 6 15.327 -2.561 2.324 1.00 0.00 C ATOM 629 O LEU B 6 14.205 -2.350 1.863 1.00 0.00 O ATOM 630 CB LEU B 6 16.845 -0.570 2.167 1.00 0.00 C ATOM 631 CG LEU B 6 17.453 0.684 2.808 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.287 1.452 1.794 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.359 1.578 3.376 1.00 0.00 C ATOM 0 H LEU B 6 17.933 -1.946 3.947 1.00 0.00 H new ATOM 0 HA LEU B 6 15.329 -0.875 3.649 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.648 -1.150 1.713 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.182 -0.259 1.360 1.00 0.00 H new ATOM 0 HG LEU B 6 18.103 0.369 3.624 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.710 2.338 2.267 1.00 0.00 H new ATOM 0 HD12 LEU B 6 19.093 0.816 1.429 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.656 1.753 0.958 1.00 0.00 H new ATOM 0 HD21 LEU B 6 16.809 2.462 3.827 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.685 1.882 2.575 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.798 1.030 4.134 1.00 0.00 H new ATOM 645 N GLU B 7 15.969 -3.714 2.178 1.00 0.00 N ATOM 646 CA GLU B 7 15.382 -4.845 1.488 1.00 0.00 C ATOM 647 C GLU B 7 14.148 -5.359 2.234 1.00 0.00 C ATOM 648 O GLU B 7 13.132 -5.679 1.620 1.00 0.00 O ATOM 649 CB GLU B 7 16.429 -5.952 1.341 1.00 0.00 C ATOM 650 CG GLU B 7 15.955 -7.161 0.562 1.00 0.00 C ATOM 651 CD GLU B 7 17.037 -8.207 0.430 1.00 0.00 C ATOM 652 OE1 GLU B 7 17.696 -8.257 -0.630 1.00 0.00 O ATOM 653 OE2 GLU B 7 17.243 -8.979 1.389 1.00 0.00 O ATOM 0 H GLU B 7 16.909 -3.886 2.535 1.00 0.00 H new ATOM 0 HA GLU B 7 15.059 -4.527 0.497 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.309 -5.540 0.848 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.741 -6.274 2.334 1.00 0.00 H new ATOM 0 HG2 GLU B 7 15.088 -7.596 1.060 1.00 0.00 H new ATOM 0 HG3 GLU B 7 15.629 -6.849 -0.430 1.00 0.00 H new ATOM 660 N ASP B 8 14.236 -5.428 3.560 1.00 0.00 N ATOM 661 CA ASP B 8 13.085 -5.812 4.376 1.00 0.00 C ATOM 662 C ASP B 8 11.939 -4.832 4.162 1.00 0.00 C ATOM 663 O ASP B 8 10.792 -5.231 3.974 1.00 0.00 O ATOM 664 CB ASP B 8 13.445 -5.861 5.866 1.00 0.00 C ATOM 665 CG ASP B 8 14.072 -7.177 6.288 1.00 0.00 C ATOM 666 OD1 ASP B 8 15.302 -7.220 6.500 1.00 0.00 O ATOM 667 OD2 ASP B 8 13.333 -8.175 6.436 1.00 0.00 O ATOM 0 H ASP B 8 15.084 -5.225 4.090 1.00 0.00 H new ATOM 0 HA ASP B 8 12.777 -6.810 4.064 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.135 -5.048 6.093 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.545 -5.689 6.456 1.00 0.00 H new ATOM 672 N LYS B 9 12.269 -3.548 4.188 1.00 0.00 N ATOM 673 CA LYS B 9 11.273 -2.480 3.971 1.00 0.00 C ATOM 674 C LYS B 9 10.594 -2.609 2.613 1.00 0.00 C ATOM 675 O LYS B 9 9.367 -2.650 2.531 1.00 0.00 O ATOM 676 CB LYS B 9 11.896 -1.082 4.028 1.00 0.00 C ATOM 677 CG LYS B 9 12.999 -0.900 5.069 1.00 0.00 C ATOM 678 CD LYS B 9 12.485 -1.026 6.501 1.00 0.00 C ATOM 679 CE LYS B 9 11.455 0.046 6.840 1.00 0.00 C ATOM 680 NZ LYS B 9 12.051 1.409 6.858 1.00 0.00 N ATOM 0 H LYS B 9 13.216 -3.209 4.356 1.00 0.00 H new ATOM 0 HA LYS B 9 10.549 -2.599 4.777 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.304 -0.844 3.046 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.106 -0.358 4.229 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.778 -1.643 4.900 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.459 0.079 4.937 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.040 -2.011 6.640 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.323 -0.954 7.194 1.00 0.00 H new ATOM 0 HE2 LYS B 9 10.646 0.014 6.110 1.00 0.00 H new ATOM 0 HE3 LYS B 9 11.015 -0.170 7.814 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 11.342 2.093 7.191 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.871 1.421 7.497 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.357 1.667 5.898 1.00 0.00 H new ATOM 694 N VAL B 10 11.405 -2.663 1.555 1.00 0.00 N ATOM 695 CA VAL B 10 10.892 -2.648 0.186 1.00 0.00 C ATOM 696 C VAL B 10 9.987 -3.851 -0.033 1.00 0.00 C ATOM 697 O VAL B 10 8.988 -3.783 -0.746 1.00 0.00 O ATOM 698 CB VAL B 10 12.031 -2.628 -0.867 1.00 0.00 C ATOM 699 CG1 VAL B 10 12.852 -3.906 -0.840 1.00 0.00 C ATOM 700 CG2 VAL B 10 11.465 -2.390 -2.254 1.00 0.00 C ATOM 0 H VAL B 10 12.421 -2.718 1.621 1.00 0.00 H new ATOM 0 HA VAL B 10 10.321 -1.729 0.054 1.00 0.00 H new ATOM 0 HB VAL B 10 12.699 -1.806 -0.610 1.00 0.00 H new ATOM 0 HG11 VAL B 10 13.638 -3.849 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL B 10 13.301 -4.029 0.145 1.00 0.00 H new ATOM 0 HG13 VAL B 10 12.206 -4.758 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL B 10 12.277 -2.379 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL B 10 10.765 -3.188 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL B 10 10.945 -1.432 -2.275 1.00 0.00 H new ATOM 710 N GLU B 11 10.337 -4.944 0.625 1.00 0.00 N ATOM 711 CA GLU B 11 9.534 -6.162 0.564 1.00 0.00 C ATOM 712 C GLU B 11 8.267 -6.060 1.417 1.00 0.00 C ATOM 713 O GLU B 11 7.173 -6.381 0.943 1.00 0.00 O ATOM 714 CB GLU B 11 10.351 -7.380 0.992 1.00 0.00 C ATOM 715 CG GLU B 11 11.362 -7.828 -0.050 1.00 0.00 C ATOM 716 CD GLU B 11 11.945 -9.188 0.266 1.00 0.00 C ATOM 717 OE1 GLU B 11 11.192 -10.184 0.223 1.00 0.00 O ATOM 718 OE2 GLU B 11 13.155 -9.274 0.554 1.00 0.00 O ATOM 0 H GLU B 11 11.171 -5.016 1.208 1.00 0.00 H new ATOM 0 HA GLU B 11 9.230 -6.284 -0.476 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.875 -7.148 1.919 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.672 -8.206 1.207 1.00 0.00 H new ATOM 0 HG2 GLU B 11 10.883 -7.859 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU B 11 12.167 -7.095 -0.112 1.00 0.00 H new ATOM 725 N GLU B 12 8.411 -5.626 2.673 1.00 0.00 N ATOM 726 CA GLU B 12 7.271 -5.513 3.582 1.00 0.00 C ATOM 727 C GLU B 12 6.186 -4.613 2.992 1.00 0.00 C ATOM 728 O GLU B 12 5.060 -5.045 2.768 1.00 0.00 O ATOM 729 CB GLU B 12 7.735 -4.960 4.933 1.00 0.00 C ATOM 730 CG GLU B 12 6.669 -5.005 6.015 1.00 0.00 C ATOM 731 CD GLU B 12 6.209 -6.417 6.314 1.00 0.00 C ATOM 732 OE1 GLU B 12 5.048 -6.746 6.010 1.00 0.00 O ATOM 733 OE2 GLU B 12 7.015 -7.213 6.844 1.00 0.00 O ATOM 0 H GLU B 12 9.304 -5.348 3.081 1.00 0.00 H new ATOM 0 HA GLU B 12 6.847 -6.507 3.725 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.603 -5.527 5.268 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.061 -3.928 4.800 1.00 0.00 H new ATOM 0 HG2 GLU B 12 7.061 -4.553 6.926 1.00 0.00 H new ATOM 0 HG3 GLU B 12 5.814 -4.405 5.704 1.00 0.00 H new ATOM 740 N LEU B 13 6.549 -3.365 2.745 1.00 0.00 N ATOM 741 CA LEU B 13 5.643 -2.370 2.174 1.00 0.00 C ATOM 742 C LEU B 13 4.992 -2.838 0.867 1.00 0.00 C ATOM 743 O LEU B 13 3.819 -2.571 0.638 1.00 0.00 O ATOM 744 CB LEU B 13 6.400 -1.065 1.934 1.00 0.00 C ATOM 745 CG LEU B 13 6.986 -0.420 3.189 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.858 0.766 2.816 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.877 0.012 4.137 1.00 0.00 C ATOM 0 H LEU B 13 7.485 -3.007 2.935 1.00 0.00 H new ATOM 0 HA LEU B 13 4.839 -2.217 2.894 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.210 -1.256 1.230 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.725 -0.353 1.459 1.00 0.00 H new ATOM 0 HG LEU B 13 7.604 -1.159 3.699 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.268 1.215 3.721 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.674 0.431 2.175 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.259 1.505 2.284 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.315 0.469 5.025 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.232 0.735 3.637 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.289 -0.858 4.429 1.00 0.00 H new ATOM 759 N LEU B 14 5.750 -3.520 0.014 1.00 0.00 N ATOM 760 CA LEU B 14 5.223 -4.008 -1.259 1.00 0.00 C ATOM 761 C LEU B 14 4.138 -5.059 -1.036 1.00 0.00 C ATOM 762 O LEU B 14 3.073 -4.997 -1.651 1.00 0.00 O ATOM 763 CB LEU B 14 6.350 -4.574 -2.139 1.00 0.00 C ATOM 764 CG LEU B 14 5.905 -5.168 -3.479 1.00 0.00 C ATOM 765 CD1 LEU B 14 5.320 -4.093 -4.383 1.00 0.00 C ATOM 766 CD2 LEU B 14 7.072 -5.863 -4.161 1.00 0.00 C ATOM 0 H LEU B 14 6.730 -3.748 0.180 1.00 0.00 H new ATOM 0 HA LEU B 14 4.775 -3.162 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU B 14 7.069 -3.778 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.875 -5.346 -1.576 1.00 0.00 H new ATOM 0 HG LEU B 14 5.126 -5.905 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.012 -4.540 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.456 -3.640 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU B 14 6.073 -3.328 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.741 -6.280 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.871 -5.143 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.442 -6.665 -3.522 1.00 0.00 H new ATOM 778 N SER B 15 4.393 -6.010 -0.142 1.00 0.00 N ATOM 779 CA SER B 15 3.410 -7.037 0.165 1.00 0.00 C ATOM 780 C SER B 15 2.263 -6.448 0.986 1.00 0.00 C ATOM 781 O SER B 15 1.128 -6.927 0.932 1.00 0.00 O ATOM 782 CB SER B 15 4.076 -8.205 0.898 1.00 0.00 C ATOM 783 OG SER B 15 4.935 -7.744 1.930 1.00 0.00 O ATOM 0 H SER B 15 5.267 -6.089 0.378 1.00 0.00 H new ATOM 0 HA SER B 15 2.993 -7.418 -0.767 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.311 -8.855 1.322 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.646 -8.805 0.188 1.00 0.00 H new ATOM 0 HG SER B 15 4.703 -6.820 2.161 1.00 0.00 H new ATOM 789 N LYS B 16 2.569 -5.394 1.733 1.00 0.00 N ATOM 790 CA LYS B 16 1.568 -4.664 2.490 1.00 0.00 C ATOM 791 C LYS B 16 0.647 -3.918 1.530 1.00 0.00 C ATOM 792 O LYS B 16 -0.574 -4.017 1.624 1.00 0.00 O ATOM 793 CB LYS B 16 2.251 -3.681 3.447 1.00 0.00 C ATOM 794 CG LYS B 16 1.309 -2.998 4.424 1.00 0.00 C ATOM 795 CD LYS B 16 0.685 -4.000 5.391 1.00 0.00 C ATOM 796 CE LYS B 16 -0.227 -3.325 6.408 1.00 0.00 C ATOM 797 NZ LYS B 16 -0.985 -4.316 7.215 1.00 0.00 N ATOM 0 H LYS B 16 3.515 -5.025 1.829 1.00 0.00 H new ATOM 0 HA LYS B 16 0.975 -5.365 3.078 1.00 0.00 H new ATOM 0 HB2 LYS B 16 3.016 -4.215 4.011 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.762 -2.918 2.860 1.00 0.00 H new ATOM 0 HG2 LYS B 16 1.853 -2.239 4.986 1.00 0.00 H new ATOM 0 HG3 LYS B 16 0.522 -2.484 3.873 1.00 0.00 H new ATOM 0 HD2 LYS B 16 0.115 -4.739 4.828 1.00 0.00 H new ATOM 0 HD3 LYS B 16 1.475 -4.538 5.915 1.00 0.00 H new ATOM 0 HE2 LYS B 16 0.369 -2.697 7.070 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.926 -2.668 5.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -1.594 -3.817 7.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.574 -4.899 6.586 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -0.319 -4.927 7.730 1.00 0.00 H new ATOM 811 N ASN B 17 1.254 -3.194 0.591 1.00 0.00 N ATOM 812 CA ASN B 17 0.514 -2.458 -0.434 1.00 0.00 C ATOM 813 C ASN B 17 -0.410 -3.396 -1.193 1.00 0.00 C ATOM 814 O ASN B 17 -1.563 -3.069 -1.478 1.00 0.00 O ATOM 815 CB ASN B 17 1.491 -1.807 -1.415 1.00 0.00 C ATOM 816 CG ASN B 17 0.797 -0.909 -2.429 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.231 -0.305 -2.136 1.00 0.00 O ATOM 818 ND2 ASN B 17 1.354 -0.811 -3.632 1.00 0.00 N ATOM 0 H ASN B 17 2.267 -3.101 0.519 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.082 -1.687 0.054 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.222 -1.221 -0.858 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.042 -2.586 -1.943 1.00 0.00 H new ATOM 0 HD21 ASN B 17 0.927 -0.220 -4.345 1.00 0.00 H new ATOM 0 HD22 ASN B 17 2.209 -1.327 -3.842 1.00 0.00 H new ATOM 825 N TYR B 18 0.117 -4.571 -1.498 1.00 0.00 N ATOM 826 CA TYR B 18 -0.612 -5.603 -2.189 1.00 0.00 C ATOM 827 C TYR B 18 -1.902 -5.951 -1.449 1.00 0.00 C ATOM 828 O TYR B 18 -2.938 -6.197 -2.068 1.00 0.00 O ATOM 829 CB TYR B 18 0.303 -6.819 -2.304 1.00 0.00 C ATOM 830 CG TYR B 18 -0.358 -8.039 -2.865 1.00 0.00 C ATOM 831 CD1 TYR B 18 -0.503 -8.203 -4.229 1.00 0.00 C ATOM 832 CD2 TYR B 18 -0.829 -9.030 -2.025 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.102 -9.327 -4.746 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.431 -10.156 -2.529 1.00 0.00 C ATOM 835 CZ TYR B 18 -1.568 -10.304 -3.892 1.00 0.00 C ATOM 836 OH TYR B 18 -2.163 -11.436 -4.403 1.00 0.00 O ATOM 0 H TYR B 18 1.076 -4.830 -1.266 1.00 0.00 H new ATOM 0 HA TYR B 18 -0.904 -5.259 -3.181 1.00 0.00 H new ATOM 0 HB2 TYR B 18 1.154 -6.560 -2.934 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.698 -7.056 -1.316 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.141 -7.437 -4.899 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.722 -8.917 -0.956 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.207 -9.444 -5.814 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.795 -10.922 -1.861 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.434 -12.024 -3.667 1.00 0.00 H new ATOM 846 N HIS B 19 -1.836 -5.946 -0.123 1.00 0.00 N ATOM 847 CA HIS B 19 -2.997 -6.256 0.696 1.00 0.00 C ATOM 848 C HIS B 19 -4.058 -5.169 0.557 1.00 0.00 C ATOM 849 O HIS B 19 -5.197 -5.450 0.191 1.00 0.00 O ATOM 850 CB HIS B 19 -2.597 -6.408 2.169 1.00 0.00 C ATOM 851 CG HIS B 19 -3.708 -6.909 3.043 1.00 0.00 C ATOM 852 ND1 HIS B 19 -4.267 -6.162 4.061 1.00 0.00 N ATOM 853 CD2 HIS B 19 -4.359 -8.095 3.050 1.00 0.00 C ATOM 854 CE1 HIS B 19 -5.214 -6.867 4.650 1.00 0.00 C ATOM 855 NE2 HIS B 19 -5.290 -8.042 4.057 1.00 0.00 N ATOM 0 H HIS B 19 -0.991 -5.731 0.406 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.413 -7.201 0.346 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -1.753 -7.094 2.239 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -2.256 -5.444 2.546 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -4.179 -8.928 2.387 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -5.824 -6.537 5.478 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -5.936 -8.791 4.306 1.00 0.00 H new ATOM 864 N LEU B 20 -3.672 -3.925 0.821 1.00 0.00 N ATOM 865 CA LEU B 20 -4.635 -2.823 0.847 1.00 0.00 C ATOM 866 C LEU B 20 -5.211 -2.551 -0.533 1.00 0.00 C ATOM 867 O LEU B 20 -6.408 -2.305 -0.663 1.00 0.00 O ATOM 868 CB LEU B 20 -4.041 -1.529 1.430 1.00 0.00 C ATOM 869 CG LEU B 20 -3.722 -1.550 2.936 1.00 0.00 C ATOM 870 CD1 LEU B 20 -4.939 -1.981 3.737 1.00 0.00 C ATOM 871 CD2 LEU B 20 -2.540 -2.450 3.247 1.00 0.00 C ATOM 0 H LEU B 20 -2.709 -3.653 1.019 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.439 -3.146 1.508 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.124 -1.298 0.888 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.739 -0.714 1.238 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.452 -0.534 3.226 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -4.692 -1.989 4.799 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -5.757 -1.283 3.560 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -5.243 -2.981 3.428 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -2.346 -2.438 4.320 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -2.765 -3.468 2.930 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -1.659 -2.091 2.715 1.00 0.00 H new ATOM 883 N GLU B 21 -4.372 -2.612 -1.561 1.00 0.00 N ATOM 884 CA GLU B 21 -4.821 -2.334 -2.923 1.00 0.00 C ATOM 885 C GLU B 21 -5.944 -3.287 -3.329 1.00 0.00 C ATOM 886 O GLU B 21 -6.931 -2.879 -3.948 1.00 0.00 O ATOM 887 CB GLU B 21 -3.662 -2.450 -3.912 1.00 0.00 C ATOM 888 CG GLU B 21 -4.009 -1.951 -5.305 1.00 0.00 C ATOM 889 CD GLU B 21 -2.943 -2.275 -6.324 1.00 0.00 C ATOM 890 OE1 GLU B 21 -2.903 -3.429 -6.801 1.00 0.00 O ATOM 891 OE2 GLU B 21 -2.147 -1.375 -6.663 1.00 0.00 O ATOM 0 H GLU B 21 -3.383 -2.850 -1.480 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.201 -1.313 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.811 -1.884 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.349 -3.492 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -4.953 -2.394 -5.620 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.159 -0.872 -5.273 1.00 0.00 H new ATOM 898 N ASN B 22 -5.792 -4.550 -2.959 1.00 0.00 N ATOM 899 CA ASN B 22 -6.783 -5.567 -3.284 1.00 0.00 C ATOM 900 C ASN B 22 -8.048 -5.379 -2.454 1.00 0.00 C ATOM 901 O ASN B 22 -9.159 -5.563 -2.953 1.00 0.00 O ATOM 902 CB ASN B 22 -6.205 -6.969 -3.065 1.00 0.00 C ATOM 903 CG ASN B 22 -5.179 -7.355 -4.118 1.00 0.00 C ATOM 904 OD1 ASN B 22 -4.508 -6.501 -4.703 1.00 0.00 O ATOM 905 ND2 ASN B 22 -5.041 -8.647 -4.362 1.00 0.00 N ATOM 0 H ASN B 22 -4.990 -4.896 -2.432 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.046 -5.459 -4.336 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -5.742 -7.016 -2.079 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.017 -7.697 -3.071 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.362 -8.966 -5.053 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -5.613 -9.325 -3.859 1.00 0.00 H new ATOM 912 N GLU B 23 -7.876 -4.995 -1.192 1.00 0.00 N ATOM 913 CA GLU B 23 -9.008 -4.773 -0.297 1.00 0.00 C ATOM 914 C GLU B 23 -9.868 -3.612 -0.785 1.00 0.00 C ATOM 915 O GLU B 23 -11.098 -3.673 -0.726 1.00 0.00 O ATOM 916 CB GLU B 23 -8.529 -4.505 1.130 1.00 0.00 C ATOM 917 CG GLU B 23 -7.831 -5.693 1.770 1.00 0.00 C ATOM 918 CD GLU B 23 -8.700 -6.931 1.784 1.00 0.00 C ATOM 919 OE1 GLU B 23 -8.480 -7.835 0.949 1.00 0.00 O ATOM 920 OE2 GLU B 23 -9.615 -7.005 2.630 1.00 0.00 O ATOM 0 H GLU B 23 -6.964 -4.831 -0.766 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.614 -5.679 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.847 -3.655 1.122 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.384 -4.222 1.744 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -6.909 -5.905 1.228 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.549 -5.438 2.792 1.00 0.00 H new ATOM 927 N VAL B 24 -9.213 -2.560 -1.272 1.00 0.00 N ATOM 928 CA VAL B 24 -9.914 -1.412 -1.835 1.00 0.00 C ATOM 929 C VAL B 24 -10.849 -1.866 -2.952 1.00 0.00 C ATOM 930 O VAL B 24 -12.034 -1.543 -2.953 1.00 0.00 O ATOM 931 CB VAL B 24 -8.933 -0.351 -2.392 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.681 0.767 -3.103 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.077 0.224 -1.278 1.00 0.00 C ATOM 0 H VAL B 24 -8.196 -2.481 -1.287 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.487 -0.955 -1.028 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.285 -0.846 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.967 1.498 -3.484 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -10.253 0.352 -3.933 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.359 1.254 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.395 0.967 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.718 0.694 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.503 -0.576 -0.811 1.00 0.00 H new ATOM 943 N ALA B 25 -10.302 -2.643 -3.885 1.00 0.00 N ATOM 944 CA ALA B 25 -11.066 -3.155 -5.018 1.00 0.00 C ATOM 945 C ALA B 25 -12.314 -3.912 -4.564 1.00 0.00 C ATOM 946 O ALA B 25 -13.394 -3.732 -5.124 1.00 0.00 O ATOM 947 CB ALA B 25 -10.190 -4.055 -5.875 1.00 0.00 C ATOM 0 H ALA B 25 -9.324 -2.933 -3.877 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.395 -2.301 -5.610 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.770 -4.432 -6.718 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.338 -3.486 -6.246 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.834 -4.893 -5.276 1.00 0.00 H new ATOM 953 N ARG B 26 -12.156 -4.744 -3.539 1.00 0.00 N ATOM 954 CA ARG B 26 -13.251 -5.546 -3.006 1.00 0.00 C ATOM 955 C ARG B 26 -14.360 -4.644 -2.498 1.00 0.00 C ATOM 956 O ARG B 26 -15.512 -4.760 -2.911 1.00 0.00 O ATOM 957 CB ARG B 26 -12.772 -6.439 -1.857 1.00 0.00 C ATOM 958 CG ARG B 26 -11.584 -7.320 -2.200 1.00 0.00 C ATOM 959 CD ARG B 26 -11.896 -8.286 -3.331 1.00 0.00 C ATOM 960 NE ARG B 26 -10.746 -9.134 -3.639 1.00 0.00 N ATOM 961 CZ ARG B 26 -10.692 -9.984 -4.660 1.00 0.00 C ATOM 962 NH1 ARG B 26 -11.723 -10.106 -5.486 1.00 0.00 N ATOM 963 NH2 ARG B 26 -9.601 -10.712 -4.858 1.00 0.00 N ATOM 0 H ARG B 26 -11.268 -4.881 -3.056 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.624 -6.176 -3.813 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -12.508 -5.808 -1.009 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -13.599 -7.073 -1.537 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -10.738 -6.693 -2.482 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -11.283 -7.882 -1.316 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -12.746 -8.909 -3.055 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -12.186 -7.726 -4.220 1.00 0.00 H new ATOM 0 HE ARG B 26 -9.930 -9.069 -3.030 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -12.563 -9.546 -5.340 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -11.676 -10.760 -6.268 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -8.805 -10.619 -4.227 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -9.558 -11.364 -5.641 1.00 0.00 H new ATOM 977 N LEU B 27 -13.988 -3.728 -1.615 1.00 0.00 N ATOM 978 CA LEU B 27 -14.943 -2.809 -1.014 1.00 0.00 C ATOM 979 C LEU B 27 -15.602 -1.919 -2.068 1.00 0.00 C ATOM 980 O LEU B 27 -16.710 -1.431 -1.860 1.00 0.00 O ATOM 981 CB LEU B 27 -14.249 -1.958 0.051 1.00 0.00 C ATOM 982 CG LEU B 27 -13.635 -2.746 1.203 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.829 -1.831 2.102 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.717 -3.457 2.002 1.00 0.00 C ATOM 0 H LEU B 27 -13.027 -3.602 -1.298 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.731 -3.397 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.465 -1.372 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.972 -1.251 0.458 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.966 -3.498 0.785 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.398 -2.410 2.919 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.029 -1.367 1.525 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.479 -1.057 2.510 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.259 -4.014 2.820 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.412 -2.722 2.408 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.256 -4.145 1.352 1.00 0.00 H new ATOM 996 N LYS B 28 -14.935 -1.741 -3.208 1.00 0.00 N ATOM 997 CA LYS B 28 -15.460 -0.900 -4.272 1.00 0.00 C ATOM 998 C LYS B 28 -16.727 -1.497 -4.863 1.00 0.00 C ATOM 999 O LYS B 28 -17.769 -0.842 -4.892 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.435 -0.702 -5.391 1.00 0.00 C ATOM 1001 CG LYS B 28 -13.306 0.260 -5.058 1.00 0.00 C ATOM 1002 CD LYS B 28 -13.825 1.660 -4.768 1.00 0.00 C ATOM 1003 CE LYS B 28 -12.692 2.672 -4.709 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.013 2.816 -6.023 1.00 0.00 N ATOM 0 H LYS B 28 -14.032 -2.169 -3.414 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.687 0.068 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.005 -1.670 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.953 -0.339 -6.279 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.756 -0.110 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.603 0.298 -5.890 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.536 1.953 -5.540 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.365 1.660 -3.821 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.084 3.639 -4.394 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.967 2.362 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.582 3.760 -6.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.273 2.091 -6.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.708 2.698 -6.788 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.655 -2.745 -5.332 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.827 -3.341 -5.976 1.00 0.00 C ATOM 1020 C LYS B 29 -18.862 -3.770 -4.941 1.00 0.00 C ATOM 1021 O LYS B 29 -19.968 -4.183 -5.291 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.478 -4.511 -6.905 1.00 0.00 C ATOM 1023 CG LYS B 29 -16.978 -5.761 -6.209 1.00 0.00 C ATOM 1024 CD LYS B 29 -15.482 -5.719 -5.981 1.00 0.00 C ATOM 1025 CE LYS B 29 -14.697 -5.779 -7.287 1.00 0.00 C ATOM 1026 NZ LYS B 29 -14.873 -7.077 -7.992 1.00 0.00 N ATOM 0 H LYS B 29 -15.831 -3.343 -5.282 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.255 -2.560 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.363 -4.768 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.717 -4.179 -7.611 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -17.488 -5.873 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.230 -6.636 -6.809 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.224 -4.805 -5.446 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.190 -6.555 -5.345 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.019 -4.967 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.639 -5.621 -7.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.173 -7.154 -8.758 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -14.737 -7.859 -7.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.832 -7.127 -8.392 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.505 -3.665 -3.671 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.453 -3.913 -2.596 1.00 0.00 C ATOM 1042 C LEU B 30 -20.286 -2.659 -2.334 1.00 0.00 C ATOM 1043 O LEU B 30 -21.515 -2.698 -2.404 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.725 -4.345 -1.308 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.469 -5.854 -1.112 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -18.066 -6.530 -2.413 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -17.385 -6.057 -0.066 1.00 0.00 C ATOM 0 H LEU B 30 -17.568 -3.410 -3.359 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.114 -4.724 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -17.763 -3.833 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.305 -3.988 -0.457 1.00 0.00 H new ATOM 0 HG LEU B 30 -19.399 -6.312 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -17.895 -7.591 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -18.863 -6.410 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -17.152 -6.074 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -17.206 -7.124 0.070 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -16.465 -5.574 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -17.705 -5.619 0.879 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.617 -1.544 -2.040 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.308 -0.285 -1.795 1.00 0.00 C ATOM 1061 C VAL B 31 -20.982 0.256 -3.068 1.00 0.00 C ATOM 1062 O VAL B 31 -22.024 0.912 -2.994 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.343 0.782 -1.219 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -18.274 1.178 -2.225 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -20.114 1.998 -0.752 1.00 0.00 C ATOM 0 H VAL B 31 -18.601 -1.490 -1.967 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.085 -0.493 -1.059 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.836 0.338 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -17.618 1.928 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -17.689 0.300 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -18.748 1.591 -3.116 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -19.420 2.737 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -20.657 2.430 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -20.821 1.705 0.024 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.397 -0.024 -4.230 1.00 0.00 N ATOM 1076 CA GLY B 32 -20.975 0.430 -5.478 1.00 0.00 C ATOM 1077 C GLY B 32 -20.070 1.403 -6.204 1.00 0.00 C ATOM 1078 O GLY B 32 -19.949 1.344 -7.427 1.00 0.00 O ATOM 0 H GLY B 32 -19.533 -0.557 -4.327 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -21.172 -0.429 -6.119 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -21.935 0.907 -5.280 1.00 0.00 H new ATOM 1082 N GLU B 33 -19.426 2.282 -5.438 1.00 0.00 N ATOM 1083 CA GLU B 33 -18.534 3.307 -5.982 1.00 0.00 C ATOM 1084 C GLU B 33 -19.315 4.273 -6.872 1.00 0.00 C ATOM 1085 O GLU B 33 -19.342 4.080 -8.109 1.00 0.00 O ATOM 1086 CB GLU B 33 -17.362 2.680 -6.759 1.00 0.00 C ATOM 1087 CG GLU B 33 -16.335 3.699 -7.236 1.00 0.00 C ATOM 1088 CD GLU B 33 -15.271 3.094 -8.126 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -15.593 2.706 -9.269 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -14.097 3.027 -7.706 1.00 0.00 O ATOM 1091 OXT GLU B 33 -19.918 5.219 -6.326 1.00 0.00 O ATOM 0 H GLU B 33 -19.507 2.304 -4.422 1.00 0.00 H new ATOM 0 HA GLU B 33 -18.113 3.864 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -16.866 1.946 -6.123 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -17.755 2.141 -7.621 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -16.846 4.494 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -15.858 4.159 -6.370 1.00 0.00 H new TER 1098 GLU B 33