USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=14 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 17 ASN : amide:sc= -1.06 K(o=-2.1,f=-7.3!) USER MOD Set 1.2: B 17 ASN : amide:sc= -1.05 K(o=-2.1,f=-7.5!) USER MOD Set 2.1: A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0596 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.722 K(o=-0.72,f=-5.2!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.396 F(o=-1.3,f=0.4) USER MOD Single : A 22 ASN :FLIP amide:sc= 0.182 F(o=-1.3!,f=0.18) USER MOD Single : A 28 LYS NZ :NH3+ -152:sc= 0.927 (180deg=-0.76) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -112:sc= 0.0585 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= -0.679 K(o=-0.68,f=-5!) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS :FLIP no HE2:sc= 0.384 F(o=-1.3,f=0.38) USER MOD Single : B 22 ASN :FLIP amide:sc= 0.168 F(o=-1.4!,f=0.17) USER MOD Single : B 28 LYS NZ :NH3+ -149:sc= 0.989 (180deg=-0.682) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.861 1.408 -3.892 1.00 0.00 N ATOM 2 CA GLY A 1 25.675 1.573 -3.024 1.00 0.00 C ATOM 3 C GLY A 1 24.423 1.859 -3.823 1.00 0.00 C ATOM 4 O GLY A 1 24.495 2.252 -4.991 1.00 0.00 O ATOM 0 H1 GLY A 1 27.192 0.423 -3.844 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.608 1.641 -4.873 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.618 2.044 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.529 0.668 -2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.851 2.388 -2.321 1.00 0.00 H new ATOM 10 N SER A 2 23.275 1.657 -3.199 1.00 0.00 N ATOM 11 CA SER A 2 21.995 1.901 -3.844 1.00 0.00 C ATOM 12 C SER A 2 21.096 2.687 -2.902 1.00 0.00 C ATOM 13 O SER A 2 19.875 2.540 -2.911 1.00 0.00 O ATOM 14 CB SER A 2 21.336 0.572 -4.218 1.00 0.00 C ATOM 15 OG SER A 2 22.229 -0.250 -4.949 1.00 0.00 O ATOM 0 H SER A 2 23.203 1.322 -2.238 1.00 0.00 H new ATOM 0 HA SER A 2 22.152 2.479 -4.755 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.016 0.054 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.441 0.760 -4.811 1.00 0.00 H new ATOM 0 HG SER A 2 21.786 -1.094 -5.175 1.00 0.00 H new ATOM 21 N MET A 3 21.723 3.536 -2.099 1.00 0.00 N ATOM 22 CA MET A 3 21.033 4.254 -1.040 1.00 0.00 C ATOM 23 C MET A 3 20.045 5.264 -1.605 1.00 0.00 C ATOM 24 O MET A 3 18.933 5.387 -1.111 1.00 0.00 O ATOM 25 CB MET A 3 22.039 4.928 -0.104 1.00 0.00 C ATOM 26 CG MET A 3 22.722 3.957 0.853 1.00 0.00 C ATOM 27 SD MET A 3 23.639 2.648 0.005 1.00 0.00 S ATOM 28 CE MET A 3 24.088 1.604 1.389 1.00 0.00 C ATOM 0 H MET A 3 22.719 3.745 -2.164 1.00 0.00 H new ATOM 0 HA MET A 3 20.460 3.530 -0.461 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.799 5.432 -0.702 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.527 5.697 0.475 1.00 0.00 H new ATOM 0 HG2 MET A 3 23.405 4.511 1.497 1.00 0.00 H new ATOM 0 HG3 MET A 3 21.970 3.505 1.500 1.00 0.00 H new ATOM 0 HE1 MET A 3 24.660 0.749 1.029 1.00 0.00 H new ATOM 0 HE2 MET A 3 24.693 2.175 2.094 1.00 0.00 H new ATOM 0 HE3 MET A 3 23.185 1.252 1.887 1.00 0.00 H new ATOM 38 N LYS A 4 20.436 5.973 -2.650 1.00 0.00 N ATOM 39 CA LYS A 4 19.514 6.884 -3.319 1.00 0.00 C ATOM 40 C LYS A 4 18.329 6.114 -3.909 1.00 0.00 C ATOM 41 O LYS A 4 17.193 6.594 -3.913 1.00 0.00 O ATOM 42 CB LYS A 4 20.233 7.674 -4.420 1.00 0.00 C ATOM 43 CG LYS A 4 20.899 6.801 -5.476 1.00 0.00 C ATOM 44 CD LYS A 4 21.542 7.636 -6.573 1.00 0.00 C ATOM 45 CE LYS A 4 20.501 8.367 -7.410 1.00 0.00 C ATOM 46 NZ LYS A 4 21.125 9.174 -8.491 1.00 0.00 N ATOM 0 H LYS A 4 21.373 5.939 -3.052 1.00 0.00 H new ATOM 0 HA LYS A 4 19.138 7.589 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.515 8.333 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.989 8.311 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.656 6.174 -5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.159 6.132 -5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.223 8.360 -6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.140 6.991 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.814 7.643 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.910 9.018 -6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.383 9.656 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.761 9.882 -8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.668 8.550 -9.121 1.00 0.00 H new ATOM 60 N GLN A 5 18.598 4.895 -4.366 1.00 0.00 N ATOM 61 CA GLN A 5 17.603 4.104 -5.065 1.00 0.00 C ATOM 62 C GLN A 5 16.519 3.602 -4.123 1.00 0.00 C ATOM 63 O GLN A 5 15.334 3.841 -4.365 1.00 0.00 O ATOM 64 CB GLN A 5 18.262 2.928 -5.788 1.00 0.00 C ATOM 65 CG GLN A 5 19.253 3.356 -6.859 1.00 0.00 C ATOM 66 CD GLN A 5 18.642 4.306 -7.869 1.00 0.00 C ATOM 67 OE1 GLN A 5 18.690 5.525 -7.700 1.00 0.00 O ATOM 68 NE2 GLN A 5 18.055 3.758 -8.922 1.00 0.00 N ATOM 0 H GLN A 5 19.503 4.436 -4.262 1.00 0.00 H new ATOM 0 HA GLN A 5 17.129 4.753 -5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.776 2.303 -5.057 1.00 0.00 H new ATOM 0 HB3 GLN A 5 17.488 2.312 -6.245 1.00 0.00 H new ATOM 0 HG2 GLN A 5 20.110 3.836 -6.386 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.628 2.473 -7.376 1.00 0.00 H new ATOM 0 HE21 GLN A 5 18.037 2.743 -9.025 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.621 4.351 -9.630 1.00 0.00 H new ATOM 77 N LEU A 6 16.904 2.927 -3.041 1.00 0.00 N ATOM 78 CA LEU A 6 15.902 2.323 -2.169 1.00 0.00 C ATOM 79 C LEU A 6 15.146 3.393 -1.396 1.00 0.00 C ATOM 80 O LEU A 6 13.990 3.187 -1.042 1.00 0.00 O ATOM 81 CB LEU A 6 16.486 1.218 -1.240 1.00 0.00 C ATOM 82 CG LEU A 6 17.160 1.615 0.097 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.251 2.640 -0.101 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.140 2.079 1.131 1.00 0.00 C ATOM 0 H LEU A 6 17.873 2.788 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 6 15.188 1.807 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 6 15.675 0.529 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.220 0.659 -1.821 1.00 0.00 H new ATOM 0 HG LEU A 6 17.633 0.714 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.696 2.889 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.018 2.233 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.828 3.539 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 6 16.654 2.348 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.603 2.947 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.433 1.274 1.331 1.00 0.00 H new ATOM 96 N GLU A 7 15.784 4.538 -1.157 1.00 0.00 N ATOM 97 CA GLU A 7 15.130 5.638 -0.457 1.00 0.00 C ATOM 98 C GLU A 7 13.898 6.098 -1.220 1.00 0.00 C ATOM 99 O GLU A 7 12.876 6.427 -0.622 1.00 0.00 O ATOM 100 CB GLU A 7 16.088 6.810 -0.249 1.00 0.00 C ATOM 101 CG GLU A 7 17.091 6.584 0.871 1.00 0.00 C ATOM 102 CD GLU A 7 16.430 6.434 2.226 1.00 0.00 C ATOM 103 OE1 GLU A 7 16.252 5.290 2.685 1.00 0.00 O ATOM 104 OE2 GLU A 7 16.102 7.464 2.847 1.00 0.00 O ATOM 0 H GLU A 7 16.747 4.726 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 7 14.823 5.272 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.628 6.996 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.509 7.708 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.675 5.689 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.789 7.421 0.902 1.00 0.00 H new ATOM 111 N ASP A 8 13.991 6.116 -2.544 1.00 0.00 N ATOM 112 CA ASP A 8 12.835 6.440 -3.368 1.00 0.00 C ATOM 113 C ASP A 8 11.803 5.321 -3.320 1.00 0.00 C ATOM 114 O ASP A 8 10.629 5.567 -3.071 1.00 0.00 O ATOM 115 CB ASP A 8 13.241 6.712 -4.816 1.00 0.00 C ATOM 116 CG ASP A 8 13.749 8.123 -5.018 1.00 0.00 C ATOM 117 OD1 ASP A 8 14.977 8.305 -5.154 1.00 0.00 O ATOM 118 OD2 ASP A 8 12.921 9.061 -5.039 1.00 0.00 O ATOM 0 H ASP A 8 14.844 5.913 -3.064 1.00 0.00 H new ATOM 0 HA ASP A 8 12.390 7.348 -2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.015 6.004 -5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.385 6.540 -5.469 1.00 0.00 H new ATOM 123 N LYS A 9 12.255 4.094 -3.549 1.00 0.00 N ATOM 124 CA LYS A 9 11.349 2.921 -3.566 1.00 0.00 C ATOM 125 C LYS A 9 10.606 2.748 -2.245 1.00 0.00 C ATOM 126 O LYS A 9 9.381 2.621 -2.230 1.00 0.00 O ATOM 127 CB LYS A 9 12.091 1.612 -3.865 1.00 0.00 C ATOM 128 CG LYS A 9 13.153 1.737 -4.952 1.00 0.00 C ATOM 129 CD LYS A 9 13.654 0.381 -5.429 1.00 0.00 C ATOM 130 CE LYS A 9 14.414 -0.369 -4.344 1.00 0.00 C ATOM 131 NZ LYS A 9 14.925 -1.679 -4.831 1.00 0.00 N ATOM 0 H LYS A 9 13.235 3.872 -3.726 1.00 0.00 H new ATOM 0 HA LYS A 9 10.637 3.126 -4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.563 1.256 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.366 0.855 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.741 2.288 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.993 2.319 -4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.807 -0.221 -5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.303 0.520 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.249 0.240 -3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.760 -0.530 -3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.437 -2.159 -4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.127 -2.271 -5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.569 -1.524 -5.632 1.00 0.00 H new ATOM 145 N VAL A 10 11.353 2.750 -1.142 1.00 0.00 N ATOM 146 CA VAL A 10 10.783 2.502 0.181 1.00 0.00 C ATOM 147 C VAL A 10 9.774 3.601 0.500 1.00 0.00 C ATOM 148 O VAL A 10 8.772 3.384 1.183 1.00 0.00 O ATOM 149 CB VAL A 10 11.881 2.437 1.278 1.00 0.00 C ATOM 150 CG1 VAL A 10 12.488 3.806 1.555 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.331 1.826 2.557 1.00 0.00 C ATOM 0 H VAL A 10 12.358 2.921 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 10 10.285 1.532 0.169 1.00 0.00 H new ATOM 0 HB VAL A 10 12.678 1.796 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.251 3.716 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.940 4.195 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.708 4.488 1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.117 1.791 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.504 2.433 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.977 0.815 2.354 1.00 0.00 H new ATOM 161 N GLU A 11 10.052 4.776 -0.042 1.00 0.00 N ATOM 162 CA GLU A 11 9.180 5.937 0.119 1.00 0.00 C ATOM 163 C GLU A 11 7.939 5.841 -0.780 1.00 0.00 C ATOM 164 O GLU A 11 6.812 6.009 -0.308 1.00 0.00 O ATOM 165 CB GLU A 11 9.954 7.218 -0.197 1.00 0.00 C ATOM 166 CG GLU A 11 9.213 8.497 0.160 1.00 0.00 C ATOM 167 CD GLU A 11 9.012 8.658 1.651 1.00 0.00 C ATOM 168 OE1 GLU A 11 7.938 8.283 2.155 1.00 0.00 O ATOM 169 OE2 GLU A 11 9.929 9.164 2.330 1.00 0.00 O ATOM 0 H GLU A 11 10.884 4.955 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 11 8.842 5.960 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.902 7.198 0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.191 7.233 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.769 9.353 -0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.242 8.500 -0.336 1.00 0.00 H new ATOM 176 N GLU A 12 8.151 5.571 -2.072 1.00 0.00 N ATOM 177 CA GLU A 12 7.067 5.514 -3.053 1.00 0.00 C ATOM 178 C GLU A 12 5.998 4.507 -2.641 1.00 0.00 C ATOM 179 O GLU A 12 4.817 4.846 -2.538 1.00 0.00 O ATOM 180 CB GLU A 12 7.628 5.134 -4.425 1.00 0.00 C ATOM 181 CG GLU A 12 6.578 5.065 -5.522 1.00 0.00 C ATOM 182 CD GLU A 12 7.133 4.533 -6.824 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.045 3.307 -7.057 1.00 0.00 O ATOM 184 OE2 GLU A 12 7.662 5.335 -7.620 1.00 0.00 O ATOM 0 H GLU A 12 9.075 5.387 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 12 6.606 6.500 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.389 5.861 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.124 4.166 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.756 4.428 -5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.164 6.060 -5.687 1.00 0.00 H new ATOM 191 N LEU A 13 6.424 3.269 -2.437 1.00 0.00 N ATOM 192 CA LEU A 13 5.548 2.206 -1.952 1.00 0.00 C ATOM 193 C LEU A 13 4.759 2.649 -0.727 1.00 0.00 C ATOM 194 O LEU A 13 3.539 2.534 -0.707 1.00 0.00 O ATOM 195 CB LEU A 13 6.361 0.957 -1.610 1.00 0.00 C ATOM 196 CG LEU A 13 7.051 0.278 -2.793 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.875 -0.903 -2.312 1.00 0.00 C ATOM 198 CD2 LEU A 13 6.026 -0.173 -3.824 1.00 0.00 C ATOM 0 H LEU A 13 7.385 2.971 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 13 4.844 1.974 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.120 1.228 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.700 0.233 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 13 7.717 0.999 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.361 -1.378 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.632 -0.556 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.224 -1.624 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.537 -0.654 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.335 -0.880 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.471 0.692 -4.188 1.00 0.00 H new ATOM 210 N LEU A 14 5.462 3.173 0.276 1.00 0.00 N ATOM 211 CA LEU A 14 4.833 3.619 1.517 1.00 0.00 C ATOM 212 C LEU A 14 3.799 4.709 1.246 1.00 0.00 C ATOM 213 O LEU A 14 2.744 4.745 1.882 1.00 0.00 O ATOM 214 CB LEU A 14 5.896 4.117 2.504 1.00 0.00 C ATOM 215 CG LEU A 14 5.366 4.639 3.844 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.624 3.546 4.599 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.510 5.180 4.687 1.00 0.00 C ATOM 0 H LEU A 14 6.474 3.299 0.252 1.00 0.00 H new ATOM 0 HA LEU A 14 4.316 2.769 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.592 3.302 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.466 4.913 2.025 1.00 0.00 H new ATOM 0 HG LEU A 14 4.664 5.448 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.258 3.942 5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.781 3.199 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.300 2.713 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.120 5.548 5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.231 4.385 4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.000 5.996 4.155 1.00 0.00 H new ATOM 229 N SER A 15 4.096 5.596 0.299 1.00 0.00 N ATOM 230 CA SER A 15 3.135 6.605 -0.116 1.00 0.00 C ATOM 231 C SER A 15 1.892 5.929 -0.695 1.00 0.00 C ATOM 232 O SER A 15 0.762 6.358 -0.455 1.00 0.00 O ATOM 233 CB SER A 15 3.769 7.545 -1.147 1.00 0.00 C ATOM 234 OG SER A 15 2.937 8.659 -1.414 1.00 0.00 O ATOM 0 H SER A 15 4.990 5.634 -0.191 1.00 0.00 H new ATOM 0 HA SER A 15 2.839 7.196 0.751 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.735 7.891 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.956 6.999 -2.072 1.00 0.00 H new ATOM 0 HG SER A 15 3.370 9.240 -2.074 1.00 0.00 H new ATOM 240 N LYS A 16 2.111 4.852 -1.435 1.00 0.00 N ATOM 241 CA LYS A 16 1.019 4.090 -2.018 1.00 0.00 C ATOM 242 C LYS A 16 0.262 3.330 -0.927 1.00 0.00 C ATOM 243 O LYS A 16 -0.964 3.223 -0.986 1.00 0.00 O ATOM 244 CB LYS A 16 1.554 3.128 -3.086 1.00 0.00 C ATOM 245 CG LYS A 16 0.477 2.338 -3.817 1.00 0.00 C ATOM 246 CD LYS A 16 1.090 1.412 -4.861 1.00 0.00 C ATOM 247 CE LYS A 16 0.052 0.515 -5.528 1.00 0.00 C ATOM 248 NZ LYS A 16 0.682 -0.454 -6.465 1.00 0.00 N ATOM 0 H LYS A 16 3.039 4.486 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 16 0.324 4.779 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.128 3.698 -3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.244 2.428 -2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.099 1.753 -3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.218 3.025 -4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.592 2.010 -5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.852 0.792 -4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.505 -0.027 -4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.666 1.130 -6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.055 -1.046 -6.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.193 0.064 -7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.349 -1.058 -5.943 1.00 0.00 H new ATOM 262 N ASN A 17 0.993 2.803 0.066 1.00 0.00 N ATOM 263 CA ASN A 17 0.361 2.171 1.226 1.00 0.00 C ATOM 264 C ASN A 17 -0.625 3.135 1.859 1.00 0.00 C ATOM 265 O ASN A 17 -1.778 2.786 2.082 1.00 0.00 O ATOM 266 CB ASN A 17 1.382 1.746 2.300 1.00 0.00 C ATOM 267 CG ASN A 17 2.308 0.613 1.877 1.00 0.00 C ATOM 268 OD1 ASN A 17 3.384 0.855 1.352 1.00 0.00 O ATOM 269 ND2 ASN A 17 1.920 -0.632 2.128 1.00 0.00 N ATOM 0 H ASN A 17 2.013 2.803 0.087 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.142 1.275 0.862 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.987 2.611 2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.842 1.442 3.197 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.526 -1.415 1.881 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.016 -0.806 2.567 1.00 0.00 H new ATOM 276 N TYR A 18 -0.152 4.348 2.136 1.00 0.00 N ATOM 277 CA TYR A 18 -0.971 5.396 2.719 1.00 0.00 C ATOM 278 C TYR A 18 -2.271 5.576 1.941 1.00 0.00 C ATOM 279 O TYR A 18 -3.359 5.545 2.517 1.00 0.00 O ATOM 280 CB TYR A 18 -0.185 6.702 2.727 1.00 0.00 C ATOM 281 CG TYR A 18 -0.569 7.621 3.851 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.093 7.392 5.130 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.403 8.709 3.642 1.00 0.00 C ATOM 284 CE1 TYR A 18 -0.435 8.219 6.174 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.752 9.545 4.683 1.00 0.00 C ATOM 286 CZ TYR A 18 -1.265 9.295 5.949 1.00 0.00 C ATOM 287 OH TYR A 18 -1.607 10.129 6.994 1.00 0.00 O ATOM 0 H TYR A 18 0.813 4.628 1.960 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.227 5.111 3.739 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.879 6.477 2.799 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.339 7.216 1.778 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.558 6.550 5.311 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.785 8.905 2.651 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.054 8.026 7.166 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.402 10.389 4.508 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.198 10.839 6.666 1.00 0.00 H new ATOM 297 N HIS A 19 -2.146 5.739 0.627 1.00 0.00 N ATOM 298 CA HIS A 19 -3.304 5.945 -0.238 1.00 0.00 C ATOM 299 C HIS A 19 -4.267 4.764 -0.175 1.00 0.00 C ATOM 300 O HIS A 19 -5.463 4.946 0.048 1.00 0.00 O ATOM 301 CB HIS A 19 -2.868 6.185 -1.686 1.00 0.00 C ATOM 302 CG HIS A 19 -2.426 7.590 -1.963 1.00 0.00 C ATOM 303 ND1 HIS A 19 -1.226 8.195 -1.798 1.00 0.00 N flip ATOM 304 CD2 HIS A 19 -3.267 8.550 -2.481 1.00 0.00 C flip ATOM 305 CE1 HIS A 19 -1.365 9.494 -2.215 1.00 0.00 C flip ATOM 306 NE2 HIS A 19 -2.605 9.683 -2.623 1.00 0.00 N flip ATOM 0 H HIS A 19 -1.252 5.732 0.137 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.825 6.830 0.126 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.052 5.504 -1.927 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.696 5.938 -2.350 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -0.377 7.765 -1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.307 8.399 -2.732 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.585 10.241 -2.210 1.00 0.00 H new ATOM 315 N LEU A 20 -3.741 3.558 -0.358 1.00 0.00 N ATOM 316 CA LEU A 20 -4.567 2.355 -0.342 1.00 0.00 C ATOM 317 C LEU A 20 -5.220 2.163 1.020 1.00 0.00 C ATOM 318 O LEU A 20 -6.405 1.859 1.112 1.00 0.00 O ATOM 319 CB LEU A 20 -3.730 1.122 -0.691 1.00 0.00 C ATOM 320 CG LEU A 20 -3.072 1.146 -2.071 1.00 0.00 C ATOM 321 CD1 LEU A 20 -2.154 -0.052 -2.235 1.00 0.00 C ATOM 322 CD2 LEU A 20 -4.128 1.167 -3.168 1.00 0.00 C ATOM 0 H LEU A 20 -2.748 3.387 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.349 2.478 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.951 1.007 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.368 0.240 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.476 2.055 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.691 -0.024 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.378 -0.024 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.732 -0.970 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.640 1.184 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.752 0.276 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.749 2.056 -3.058 1.00 0.00 H new ATOM 334 N GLU A 21 -4.438 2.371 2.070 1.00 0.00 N ATOM 335 CA GLU A 21 -4.901 2.187 3.440 1.00 0.00 C ATOM 336 C GLU A 21 -6.061 3.141 3.731 1.00 0.00 C ATOM 337 O GLU A 21 -7.045 2.766 4.369 1.00 0.00 O ATOM 338 CB GLU A 21 -3.724 2.430 4.408 1.00 0.00 C ATOM 339 CG GLU A 21 -3.756 1.637 5.713 1.00 0.00 C ATOM 340 CD GLU A 21 -4.904 2.020 6.619 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.910 3.167 7.116 1.00 0.00 O ATOM 342 OE2 GLU A 21 -5.783 1.170 6.868 1.00 0.00 O ATOM 0 H GLU A 21 -3.466 2.672 1.997 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.263 1.168 3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.796 2.196 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.693 3.492 4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.824 0.574 5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.817 1.788 6.245 1.00 0.00 H new ATOM 349 N ASN A 22 -5.950 4.367 3.231 1.00 0.00 N ATOM 350 CA ASN A 22 -7.016 5.351 3.384 1.00 0.00 C ATOM 351 C ASN A 22 -8.251 4.936 2.592 1.00 0.00 C ATOM 352 O ASN A 22 -9.374 5.055 3.080 1.00 0.00 O ATOM 353 CB ASN A 22 -6.556 6.742 2.934 1.00 0.00 C ATOM 354 CG ASN A 22 -5.523 7.363 3.860 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.575 7.022 5.140 1.00 0.00 O flip ATOM 356 ND2 ASN A 22 -4.684 8.151 3.425 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.135 4.703 2.718 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.271 5.396 4.443 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.138 6.671 1.930 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.422 7.401 2.873 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.675 8.390 2.433 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.998 8.565 4.056 1.00 0.00 H new ATOM 363 N GLU A 23 -8.038 4.437 1.377 1.00 0.00 N ATOM 364 CA GLU A 23 -9.138 3.991 0.530 1.00 0.00 C ATOM 365 C GLU A 23 -9.893 2.838 1.179 1.00 0.00 C ATOM 366 O GLU A 23 -11.117 2.750 1.065 1.00 0.00 O ATOM 367 CB GLU A 23 -8.632 3.566 -0.850 1.00 0.00 C ATOM 368 CG GLU A 23 -8.120 4.718 -1.696 1.00 0.00 C ATOM 369 CD GLU A 23 -9.173 5.783 -1.928 1.00 0.00 C ATOM 370 OE1 GLU A 23 -9.017 6.907 -1.408 1.00 0.00 O ATOM 371 OE2 GLU A 23 -10.162 5.506 -2.633 1.00 0.00 O ATOM 0 H GLU A 23 -7.114 4.332 0.958 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.819 4.833 0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.832 2.836 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.439 3.066 -1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.256 5.167 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.778 4.334 -2.657 1.00 0.00 H new ATOM 378 N VAL A 24 -9.164 1.959 1.862 1.00 0.00 N ATOM 379 CA VAL A 24 -9.786 0.854 2.576 1.00 0.00 C ATOM 380 C VAL A 24 -10.787 1.389 3.605 1.00 0.00 C ATOM 381 O VAL A 24 -11.977 1.076 3.555 1.00 0.00 O ATOM 382 CB VAL A 24 -8.747 -0.038 3.293 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.438 -1.166 4.044 1.00 0.00 C ATOM 384 CG2 VAL A 24 -7.745 -0.603 2.300 1.00 0.00 C ATOM 0 H VAL A 24 -8.147 1.992 1.934 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.299 0.242 1.834 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.209 0.580 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.690 -1.783 4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.116 -0.746 4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.004 -1.778 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.023 -1.228 2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.269 -1.203 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.223 0.215 1.804 1.00 0.00 H new ATOM 394 N ALA A 25 -10.295 2.214 4.526 1.00 0.00 N ATOM 395 CA ALA A 25 -11.143 2.830 5.547 1.00 0.00 C ATOM 396 C ALA A 25 -12.284 3.635 4.921 1.00 0.00 C ATOM 397 O ALA A 25 -13.426 3.569 5.379 1.00 0.00 O ATOM 398 CB ALA A 25 -10.308 3.719 6.457 1.00 0.00 C ATOM 0 H ALA A 25 -9.310 2.473 4.587 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.588 2.029 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.950 4.172 7.212 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.540 3.120 6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.835 4.503 5.866 1.00 0.00 H new ATOM 404 N ARG A 26 -11.958 4.385 3.872 1.00 0.00 N ATOM 405 CA ARG A 26 -12.929 5.184 3.129 1.00 0.00 C ATOM 406 C ARG A 26 -14.120 4.336 2.683 1.00 0.00 C ATOM 407 O ARG A 26 -15.274 4.659 2.972 1.00 0.00 O ATOM 408 CB ARG A 26 -12.231 5.792 1.911 1.00 0.00 C ATOM 409 CG ARG A 26 -13.116 6.655 1.032 1.00 0.00 C ATOM 410 CD ARG A 26 -12.351 7.127 -0.193 1.00 0.00 C ATOM 411 NE ARG A 26 -13.147 8.005 -1.045 1.00 0.00 N ATOM 412 CZ ARG A 26 -12.793 8.363 -2.279 1.00 0.00 C ATOM 413 NH1 ARG A 26 -11.679 7.883 -2.826 1.00 0.00 N ATOM 414 NH2 ARG A 26 -13.562 9.191 -2.974 1.00 0.00 N ATOM 0 H ARG A 26 -11.007 4.456 3.511 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.312 5.972 3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.389 6.393 2.255 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.820 4.984 1.306 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.995 6.089 0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.473 7.515 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.451 7.653 0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.027 6.261 -0.771 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.026 8.366 -0.674 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.090 7.237 -2.300 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.414 8.161 -3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.423 9.553 -2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.292 9.466 -3.919 1.00 0.00 H new ATOM 428 N LEU A 27 -13.829 3.247 1.987 1.00 0.00 N ATOM 429 CA LEU A 27 -14.865 2.356 1.478 1.00 0.00 C ATOM 430 C LEU A 27 -15.630 1.664 2.605 1.00 0.00 C ATOM 431 O LEU A 27 -16.823 1.388 2.467 1.00 0.00 O ATOM 432 CB LEU A 27 -14.242 1.331 0.534 1.00 0.00 C ATOM 433 CG LEU A 27 -13.737 1.917 -0.782 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.851 0.924 -1.499 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.903 2.326 -1.668 1.00 0.00 C ATOM 0 H LEU A 27 -12.878 2.957 1.760 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.589 2.958 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.411 0.842 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.980 0.559 0.315 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.148 2.806 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.500 1.359 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.995 0.679 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.418 0.017 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.523 2.741 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.520 1.453 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.504 3.077 -1.155 1.00 0.00 H new ATOM 447 N LYS A 28 -14.955 1.399 3.720 1.00 0.00 N ATOM 448 CA LYS A 28 -15.600 0.791 4.876 1.00 0.00 C ATOM 449 C LYS A 28 -16.656 1.720 5.450 1.00 0.00 C ATOM 450 O LYS A 28 -17.754 1.286 5.793 1.00 0.00 O ATOM 451 CB LYS A 28 -14.575 0.447 5.957 1.00 0.00 C ATOM 452 CG LYS A 28 -13.711 -0.746 5.609 1.00 0.00 C ATOM 453 CD LYS A 28 -12.795 -1.120 6.763 1.00 0.00 C ATOM 454 CE LYS A 28 -12.257 -2.537 6.620 1.00 0.00 C ATOM 455 NZ LYS A 28 -13.354 -3.526 6.447 1.00 0.00 N ATOM 0 H LYS A 28 -13.962 1.596 3.846 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.079 -0.130 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.935 1.312 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.098 0.247 6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.345 -1.595 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.113 -0.520 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.963 -0.418 6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.339 -1.031 7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.584 -2.586 5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.670 -2.794 7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.050 -4.450 6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.196 -3.206 6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.585 -3.615 5.437 1.00 0.00 H new ATOM 469 N LYS A 29 -16.308 2.999 5.549 1.00 0.00 N ATOM 470 CA LYS A 29 -17.238 4.030 5.994 1.00 0.00 C ATOM 471 C LYS A 29 -18.492 4.047 5.120 1.00 0.00 C ATOM 472 O LYS A 29 -19.596 4.307 5.601 1.00 0.00 O ATOM 473 CB LYS A 29 -16.542 5.400 5.954 1.00 0.00 C ATOM 474 CG LYS A 29 -17.448 6.584 6.270 1.00 0.00 C ATOM 475 CD LYS A 29 -16.733 7.904 6.026 1.00 0.00 C ATOM 476 CE LYS A 29 -17.627 9.089 6.352 1.00 0.00 C ATOM 477 NZ LYS A 29 -16.954 10.386 6.078 1.00 0.00 N ATOM 0 H LYS A 29 -15.377 3.349 5.324 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.544 3.809 7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.715 5.393 6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.110 5.544 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -18.345 6.534 5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.773 6.530 7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.831 7.949 6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.417 7.961 4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.543 9.025 5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.918 9.046 7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.598 11.168 6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.093 10.460 6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.699 10.439 5.071 1.00 0.00 H new ATOM 491 N LEU A 30 -18.318 3.754 3.837 1.00 0.00 N ATOM 492 CA LEU A 30 -19.427 3.779 2.895 1.00 0.00 C ATOM 493 C LEU A 30 -20.272 2.511 3.000 1.00 0.00 C ATOM 494 O LEU A 30 -21.473 2.580 3.268 1.00 0.00 O ATOM 495 CB LEU A 30 -18.904 3.934 1.465 1.00 0.00 C ATOM 496 CG LEU A 30 -18.063 5.186 1.205 1.00 0.00 C ATOM 497 CD1 LEU A 30 -17.559 5.198 -0.228 1.00 0.00 C ATOM 498 CD2 LEU A 30 -18.870 6.441 1.497 1.00 0.00 C ATOM 0 H LEU A 30 -17.420 3.497 3.427 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.057 4.633 3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.305 3.057 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.755 3.941 0.784 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.202 5.168 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.963 6.095 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.945 4.315 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.408 5.193 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.256 7.321 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.749 6.466 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.184 6.437 2.541 1.00 0.00 H new ATOM 510 N VAL A 31 -19.644 1.354 2.801 1.00 0.00 N ATOM 511 CA VAL A 31 -20.358 0.083 2.818 1.00 0.00 C ATOM 512 C VAL A 31 -20.905 -0.263 4.210 1.00 0.00 C ATOM 513 O VAL A 31 -21.956 -0.893 4.329 1.00 0.00 O ATOM 514 CB VAL A 31 -19.466 -1.071 2.300 1.00 0.00 C ATOM 515 CG1 VAL A 31 -18.286 -1.321 3.225 1.00 0.00 C ATOM 516 CG2 VAL A 31 -20.280 -2.337 2.112 1.00 0.00 C ATOM 0 H VAL A 31 -18.642 1.272 2.626 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.208 0.202 2.147 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.068 -0.771 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.681 -2.138 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.678 -0.419 3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.651 -1.586 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.633 -3.135 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -20.719 -2.632 3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -21.074 -2.155 1.388 1.00 0.00 H new ATOM 526 N GLY A 32 -20.210 0.176 5.256 1.00 0.00 N ATOM 527 CA GLY A 32 -20.626 -0.137 6.606 1.00 0.00 C ATOM 528 C GLY A 32 -20.070 -1.465 7.075 1.00 0.00 C ATOM 529 O GLY A 32 -20.801 -2.294 7.618 1.00 0.00 O ATOM 0 H GLY A 32 -19.365 0.744 5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -20.295 0.653 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -21.715 -0.162 6.654 1.00 0.00 H new ATOM 533 N GLU A 33 -18.777 -1.669 6.868 1.00 0.00 N ATOM 534 CA GLU A 33 -18.133 -2.923 7.232 1.00 0.00 C ATOM 535 C GLU A 33 -16.851 -2.644 8.016 1.00 0.00 C ATOM 536 O GLU A 33 -16.949 -2.400 9.239 1.00 0.00 O ATOM 537 CB GLU A 33 -17.833 -3.746 5.971 1.00 0.00 C ATOM 538 CG GLU A 33 -17.345 -5.160 6.252 1.00 0.00 C ATOM 539 CD GLU A 33 -18.373 -6.007 6.979 1.00 0.00 C ATOM 540 OE1 GLU A 33 -18.325 -6.069 8.225 1.00 0.00 O ATOM 541 OE2 GLU A 33 -19.231 -6.620 6.308 1.00 0.00 O ATOM 542 OXT GLU A 33 -15.758 -2.657 7.412 1.00 0.00 O ATOM 0 H GLU A 33 -18.152 -0.981 6.449 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.806 -3.500 7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -18.735 -3.799 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -17.080 -3.224 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.085 -5.643 5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.434 -5.113 6.848 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 26.949 -1.540 4.196 1.00 0.00 N ATOM 551 CA GLY B 1 25.755 -1.723 3.340 1.00 0.00 C ATOM 552 C GLY B 1 24.518 -2.040 4.152 1.00 0.00 C ATOM 553 O GLY B 1 24.615 -2.460 5.305 1.00 0.00 O ATOM 0 H1 GLY B 1 27.249 -0.545 4.165 1.00 0.00 H new ATOM 0 H2 GLY B 1 26.717 -1.801 5.176 1.00 0.00 H new ATOM 0 H3 GLY B 1 27.721 -2.145 3.850 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.584 -0.817 2.758 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.939 -2.529 2.629 1.00 0.00 H new ATOM 559 N SER B 2 23.357 -1.839 3.551 1.00 0.00 N ATOM 560 CA SER B 2 22.090 -2.111 4.212 1.00 0.00 C ATOM 561 C SER B 2 21.188 -2.897 3.272 1.00 0.00 C ATOM 562 O SER B 2 19.964 -2.764 3.302 1.00 0.00 O ATOM 563 CB SER B 2 21.411 -0.801 4.615 1.00 0.00 C ATOM 564 OG SER B 2 22.292 0.024 5.362 1.00 0.00 O ATOM 0 H SER B 2 23.265 -1.485 2.599 1.00 0.00 H new ATOM 0 HA SER B 2 22.275 -2.697 5.112 1.00 0.00 H new ATOM 0 HB2 SER B 2 21.080 -0.270 3.722 1.00 0.00 H new ATOM 0 HB3 SER B 2 20.521 -1.016 5.206 1.00 0.00 H new ATOM 0 HG SER B 2 21.834 0.855 5.606 1.00 0.00 H new ATOM 570 N MET B 3 21.815 -3.723 2.449 1.00 0.00 N ATOM 571 CA MET B 3 21.122 -4.442 1.392 1.00 0.00 C ATOM 572 C MET B 3 20.159 -5.473 1.961 1.00 0.00 C ATOM 573 O MET B 3 19.041 -5.605 1.482 1.00 0.00 O ATOM 574 CB MET B 3 22.127 -5.090 0.436 1.00 0.00 C ATOM 575 CG MET B 3 22.783 -4.096 -0.517 1.00 0.00 C ATOM 576 SD MET B 3 23.686 -2.781 0.336 1.00 0.00 S ATOM 577 CE MET B 3 24.107 -1.713 -1.041 1.00 0.00 C ATOM 0 H MET B 3 22.816 -3.913 2.495 1.00 0.00 H new ATOM 0 HA MET B 3 20.529 -3.723 0.827 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.901 -5.589 1.018 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.620 -5.860 -0.146 1.00 0.00 H new ATOM 0 HG2 MET B 3 23.468 -4.631 -1.175 1.00 0.00 H new ATOM 0 HG3 MET B 3 22.016 -3.650 -1.150 1.00 0.00 H new ATOM 0 HE1 MET B 3 24.668 -0.853 -0.676 1.00 0.00 H new ATOM 0 HE2 MET B 3 24.715 -2.266 -1.757 1.00 0.00 H new ATOM 0 HE3 MET B 3 23.194 -1.370 -1.528 1.00 0.00 H new ATOM 587 N LYS B 4 20.576 -6.190 2.990 1.00 0.00 N ATOM 588 CA LYS B 4 19.674 -7.123 3.658 1.00 0.00 C ATOM 589 C LYS B 4 18.487 -6.377 4.273 1.00 0.00 C ATOM 590 O LYS B 4 17.358 -6.875 4.290 1.00 0.00 O ATOM 591 CB LYS B 4 20.418 -7.916 4.740 1.00 0.00 C ATOM 592 CG LYS B 4 21.087 -7.046 5.796 1.00 0.00 C ATOM 593 CD LYS B 4 21.757 -7.879 6.876 1.00 0.00 C ATOM 594 CE LYS B 4 20.740 -8.637 7.717 1.00 0.00 C ATOM 595 NZ LYS B 4 21.389 -9.455 8.775 1.00 0.00 N ATOM 0 H LYS B 4 21.518 -6.149 3.379 1.00 0.00 H new ATOM 0 HA LYS B 4 19.298 -7.823 2.912 1.00 0.00 H new ATOM 0 HB2 LYS B 4 19.715 -8.589 5.231 1.00 0.00 H new ATOM 0 HB3 LYS B 4 21.175 -8.538 4.264 1.00 0.00 H new ATOM 0 HG2 LYS B 4 21.829 -6.404 5.321 1.00 0.00 H new ATOM 0 HG3 LYS B 4 20.344 -6.392 6.251 1.00 0.00 H new ATOM 0 HD2 LYS B 4 22.446 -8.586 6.415 1.00 0.00 H new ATOM 0 HD3 LYS B 4 22.350 -7.230 7.520 1.00 0.00 H new ATOM 0 HE2 LYS B 4 20.051 -7.929 8.178 1.00 0.00 H new ATOM 0 HE3 LYS B 4 20.147 -9.284 7.071 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 20.660 -9.954 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 22.027 -10.149 8.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 21.935 -8.835 9.407 1.00 0.00 H new ATOM 609 N GLN B 5 18.743 -5.160 4.738 1.00 0.00 N ATOM 610 CA GLN B 5 17.746 -4.394 5.461 1.00 0.00 C ATOM 611 C GLN B 5 16.641 -3.895 4.542 1.00 0.00 C ATOM 612 O GLN B 5 15.465 -4.153 4.797 1.00 0.00 O ATOM 613 CB GLN B 5 18.398 -3.219 6.190 1.00 0.00 C ATOM 614 CG GLN B 5 19.406 -3.649 7.244 1.00 0.00 C ATOM 615 CD GLN B 5 18.813 -4.620 8.248 1.00 0.00 C ATOM 616 OE1 GLN B 5 18.863 -5.836 8.059 1.00 0.00 O ATOM 617 NE2 GLN B 5 18.236 -4.090 9.313 1.00 0.00 N ATOM 0 H GLN B 5 19.638 -4.684 4.624 1.00 0.00 H new ATOM 0 HA GLN B 5 17.292 -5.060 6.194 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.896 -2.579 5.461 1.00 0.00 H new ATOM 0 HB3 GLN B 5 17.621 -2.618 6.664 1.00 0.00 H new ATOM 0 HG2 GLN B 5 20.263 -4.113 6.756 1.00 0.00 H new ATOM 0 HG3 GLN B 5 19.777 -2.769 7.769 1.00 0.00 H new ATOM 0 HE21 GLN B 5 18.216 -3.077 9.431 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.810 -4.694 10.016 1.00 0.00 H new ATOM 626 N LEU B 6 17.002 -3.201 3.463 1.00 0.00 N ATOM 627 CA LEU B 6 15.980 -2.599 2.614 1.00 0.00 C ATOM 628 C LEU B 6 15.229 -3.670 1.836 1.00 0.00 C ATOM 629 O LEU B 6 14.066 -3.475 1.498 1.00 0.00 O ATOM 630 CB LEU B 6 16.536 -1.474 1.692 1.00 0.00 C ATOM 631 CG LEU B 6 17.197 -1.846 0.342 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.305 -2.856 0.513 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.168 -2.315 -0.683 1.00 0.00 C ATOM 0 H LEU B 6 17.965 -3.045 3.164 1.00 0.00 H new ATOM 0 HA LEU B 6 15.268 -2.102 3.272 1.00 0.00 H new ATOM 0 HB2 LEU B 6 15.712 -0.794 1.475 1.00 0.00 H new ATOM 0 HB3 LEU B 6 17.270 -0.912 2.270 1.00 0.00 H new ATOM 0 HG LEU B 6 17.651 -0.934 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.740 -3.087 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU B 6 19.075 -2.445 1.166 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.902 -3.767 0.956 1.00 0.00 H new ATOM 0 HD21 LEU B 6 16.672 -2.566 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.650 -3.195 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.446 -1.519 -0.864 1.00 0.00 H new ATOM 645 N GLU B 7 15.881 -4.801 1.576 1.00 0.00 N ATOM 646 CA GLU B 7 15.236 -5.903 0.870 1.00 0.00 C ATOM 647 C GLU B 7 14.020 -6.394 1.640 1.00 0.00 C ATOM 648 O GLU B 7 12.998 -6.730 1.045 1.00 0.00 O ATOM 649 CB GLU B 7 16.211 -7.056 0.636 1.00 0.00 C ATOM 650 CG GLU B 7 17.194 -6.799 -0.492 1.00 0.00 C ATOM 651 CD GLU B 7 16.508 -6.658 -1.834 1.00 0.00 C ATOM 652 OE1 GLU B 7 16.309 -5.515 -2.296 1.00 0.00 O ATOM 653 OE2 GLU B 7 16.166 -7.699 -2.436 1.00 0.00 O ATOM 0 H GLU B 7 16.850 -4.977 1.842 1.00 0.00 H new ATOM 0 HA GLU B 7 14.911 -5.529 -0.101 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.766 -7.244 1.555 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.645 -7.961 0.415 1.00 0.00 H new ATOM 0 HG2 GLU B 7 17.759 -5.891 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU B 7 17.912 -7.618 -0.538 1.00 0.00 H new ATOM 660 N ASP B 8 14.131 -6.432 2.963 1.00 0.00 N ATOM 661 CA ASP B 8 12.991 -6.782 3.800 1.00 0.00 C ATOM 662 C ASP B 8 11.941 -5.678 3.776 1.00 0.00 C ATOM 663 O ASP B 8 10.768 -5.936 3.537 1.00 0.00 O ATOM 664 CB ASP B 8 13.423 -7.057 5.242 1.00 0.00 C ATOM 665 CG ASP B 8 13.971 -8.455 5.428 1.00 0.00 C ATOM 666 OD1 ASP B 8 15.198 -8.600 5.611 1.00 0.00 O ATOM 667 OD2 ASP B 8 13.174 -9.418 5.388 1.00 0.00 O ATOM 0 H ASP B 8 14.989 -6.227 3.474 1.00 0.00 H new ATOM 0 HA ASP B 8 12.555 -7.693 3.391 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.182 -6.331 5.535 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.571 -6.913 5.906 1.00 0.00 H new ATOM 672 N LYS B 9 12.377 -4.448 4.021 1.00 0.00 N ATOM 673 CA LYS B 9 11.455 -3.288 4.065 1.00 0.00 C ATOM 674 C LYS B 9 10.694 -3.107 2.753 1.00 0.00 C ATOM 675 O LYS B 9 9.468 -2.992 2.754 1.00 0.00 O ATOM 676 CB LYS B 9 12.182 -1.973 4.372 1.00 0.00 C ATOM 677 CG LYS B 9 13.262 -2.096 5.440 1.00 0.00 C ATOM 678 CD LYS B 9 13.750 -0.739 5.927 1.00 0.00 C ATOM 679 CE LYS B 9 14.478 0.036 4.840 1.00 0.00 C ATOM 680 NZ LYS B 9 14.971 1.348 5.336 1.00 0.00 N ATOM 0 H LYS B 9 13.355 -4.215 4.193 1.00 0.00 H new ATOM 0 HA LYS B 9 10.756 -3.514 4.870 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.634 -1.597 3.454 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.450 -1.232 4.694 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.872 -2.664 6.285 1.00 0.00 H new ATOM 0 HG3 LYS B 9 14.104 -2.660 5.039 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.900 -0.155 6.280 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.416 -0.879 6.779 1.00 0.00 H new ATOM 0 HE2 LYS B 9 15.318 -0.554 4.474 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.808 0.195 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.462 1.848 4.567 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.166 1.920 5.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.630 1.195 6.126 1.00 0.00 H new ATOM 694 N VAL B 10 11.426 -3.085 1.640 1.00 0.00 N ATOM 695 CA VAL B 10 10.835 -2.828 0.328 1.00 0.00 C ATOM 696 C VAL B 10 9.840 -3.938 0.005 1.00 0.00 C ATOM 697 O VAL B 10 8.830 -3.732 -0.669 1.00 0.00 O ATOM 698 CB VAL B 10 11.918 -2.732 -0.784 1.00 0.00 C ATOM 699 CG1 VAL B 10 12.542 -4.088 -1.087 1.00 0.00 C ATOM 700 CG2 VAL B 10 11.339 -2.110 -2.046 1.00 0.00 C ATOM 0 H VAL B 10 12.434 -3.243 1.621 1.00 0.00 H new ATOM 0 HA VAL B 10 10.323 -1.866 0.361 1.00 0.00 H new ATOM 0 HB VAL B 10 12.712 -2.085 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL B 10 13.293 -3.976 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL B 10 13.012 -4.482 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.768 -4.778 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL B 10 12.113 -2.052 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL B 10 10.515 -2.724 -2.409 1.00 0.00 H new ATOM 0 HG23 VAL B 10 10.974 -1.108 -1.823 1.00 0.00 H new ATOM 710 N GLU B 11 10.142 -5.116 0.532 1.00 0.00 N ATOM 711 CA GLU B 11 9.283 -6.288 0.367 1.00 0.00 C ATOM 712 C GLU B 11 8.053 -6.221 1.282 1.00 0.00 C ATOM 713 O GLU B 11 6.923 -6.402 0.821 1.00 0.00 O ATOM 714 CB GLU B 11 10.080 -7.563 0.656 1.00 0.00 C ATOM 715 CG GLU B 11 9.351 -8.847 0.292 1.00 0.00 C ATOM 716 CD GLU B 11 9.145 -8.999 -1.199 1.00 0.00 C ATOM 717 OE1 GLU B 11 8.073 -8.617 -1.697 1.00 0.00 O ATOM 718 OE2 GLU B 11 10.058 -9.507 -1.880 1.00 0.00 O ATOM 0 H GLU B 11 10.983 -5.290 1.083 1.00 0.00 H new ATOM 0 HA GLU B 11 8.931 -6.302 -0.665 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.020 -7.523 0.106 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.332 -7.589 1.716 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.918 -9.700 0.665 1.00 0.00 H new ATOM 0 HG3 GLU B 11 8.383 -8.864 0.792 1.00 0.00 H new ATOM 725 N GLU B 12 8.277 -5.962 2.576 1.00 0.00 N ATOM 726 CA GLU B 12 7.206 -5.935 3.571 1.00 0.00 C ATOM 727 C GLU B 12 6.115 -4.942 3.184 1.00 0.00 C ATOM 728 O GLU B 12 4.940 -5.302 3.085 1.00 0.00 O ATOM 729 CB GLU B 12 7.780 -5.567 4.941 1.00 0.00 C ATOM 730 CG GLU B 12 6.744 -5.533 6.050 1.00 0.00 C ATOM 731 CD GLU B 12 7.313 -5.017 7.351 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.217 -3.798 7.600 1.00 0.00 O ATOM 733 OE2 GLU B 12 7.862 -5.824 8.128 1.00 0.00 O ATOM 0 H GLU B 12 9.202 -5.767 2.958 1.00 0.00 H new ATOM 0 HA GLU B 12 6.760 -6.928 3.615 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.557 -6.285 5.204 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.259 -4.590 4.874 1.00 0.00 H new ATOM 0 HG2 GLU B 12 5.909 -4.901 5.745 1.00 0.00 H new ATOM 0 HG3 GLU B 12 6.346 -6.536 6.203 1.00 0.00 H new ATOM 740 N LEU B 13 6.520 -3.693 2.993 1.00 0.00 N ATOM 741 CA LEU B 13 5.622 -2.637 2.534 1.00 0.00 C ATOM 742 C LEU B 13 4.825 -3.078 1.314 1.00 0.00 C ATOM 743 O LEU B 13 3.603 -2.984 1.311 1.00 0.00 O ATOM 744 CB LEU B 13 6.412 -1.371 2.197 1.00 0.00 C ATOM 745 CG LEU B 13 7.106 -0.697 3.379 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.908 0.505 2.905 1.00 0.00 C ATOM 747 CD2 LEU B 13 6.088 -0.276 4.428 1.00 0.00 C ATOM 0 H LEU B 13 7.478 -3.382 3.151 1.00 0.00 H new ATOM 0 HA LEU B 13 4.925 -2.425 3.345 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.165 -1.621 1.450 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.734 -0.652 1.737 1.00 0.00 H new ATOM 0 HG LEU B 13 7.790 -1.415 3.833 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.397 0.975 3.758 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.662 0.180 2.188 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.240 1.223 2.428 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.602 0.202 5.262 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.380 0.426 3.987 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.552 -1.154 4.788 1.00 0.00 H new ATOM 759 N LEU B 14 5.523 -3.578 0.295 1.00 0.00 N ATOM 760 CA LEU B 14 4.884 -4.018 -0.942 1.00 0.00 C ATOM 761 C LEU B 14 3.866 -5.126 -0.673 1.00 0.00 C ATOM 762 O LEU B 14 2.806 -5.169 -1.301 1.00 0.00 O ATOM 763 CB LEU B 14 5.942 -4.489 -1.948 1.00 0.00 C ATOM 764 CG LEU B 14 5.402 -5.001 -3.288 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.634 -3.912 -4.018 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.540 -5.513 -4.155 1.00 0.00 C ATOM 0 H LEU B 14 6.537 -3.688 0.304 1.00 0.00 H new ATOM 0 HA LEU B 14 4.348 -3.170 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.624 -3.662 -2.144 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.528 -5.283 -1.486 1.00 0.00 H new ATOM 0 HG LEU B 14 4.716 -5.823 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.262 -4.302 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.794 -3.586 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.294 -3.066 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.141 -5.873 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.247 -4.705 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.049 -6.329 -3.642 1.00 0.00 H new ATOM 778 N SER B 15 4.185 -6.017 0.261 1.00 0.00 N ATOM 779 CA SER B 15 3.243 -7.049 0.673 1.00 0.00 C ATOM 780 C SER B 15 1.998 -6.399 1.272 1.00 0.00 C ATOM 781 O SER B 15 0.870 -6.835 1.029 1.00 0.00 O ATOM 782 CB SER B 15 3.898 -7.995 1.689 1.00 0.00 C ATOM 783 OG SER B 15 3.071 -9.115 1.966 1.00 0.00 O ATOM 0 H SER B 15 5.083 -6.045 0.744 1.00 0.00 H new ATOM 0 HA SER B 15 2.951 -7.634 -0.199 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.858 -8.337 1.303 1.00 0.00 H new ATOM 0 HB3 SER B 15 4.101 -7.454 2.613 1.00 0.00 H new ATOM 0 HG SER B 15 3.517 -9.698 2.615 1.00 0.00 H new ATOM 789 N LYS B 16 2.213 -5.331 2.030 1.00 0.00 N ATOM 790 CA LYS B 16 1.121 -4.590 2.637 1.00 0.00 C ATOM 791 C LYS B 16 0.340 -3.827 1.567 1.00 0.00 C ATOM 792 O LYS B 16 -0.887 -3.740 1.641 1.00 0.00 O ATOM 793 CB LYS B 16 1.659 -3.632 3.708 1.00 0.00 C ATOM 794 CG LYS B 16 0.583 -2.862 4.463 1.00 0.00 C ATOM 795 CD LYS B 16 1.200 -1.939 5.507 1.00 0.00 C ATOM 796 CE LYS B 16 0.159 -1.070 6.204 1.00 0.00 C ATOM 797 NZ LYS B 16 0.788 -0.109 7.148 1.00 0.00 N ATOM 0 H LYS B 16 3.140 -4.959 2.238 1.00 0.00 H new ATOM 0 HA LYS B 16 0.442 -5.294 3.119 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.250 -4.203 4.424 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.334 -2.919 3.234 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -0.010 -2.277 3.761 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -0.097 -3.562 4.948 1.00 0.00 H new ATOM 0 HD2 LYS B 16 1.727 -2.537 6.251 1.00 0.00 H new ATOM 0 HD3 LYS B 16 1.942 -1.299 5.029 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -0.417 -0.523 5.458 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.542 -1.705 6.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.049 0.465 7.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 1.317 -0.632 7.875 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 1.438 0.514 6.627 1.00 0.00 H new ATOM 811 N ASN B 17 1.051 -3.277 0.572 1.00 0.00 N ATOM 812 CA ASN B 17 0.394 -2.641 -0.573 1.00 0.00 C ATOM 813 C ASN B 17 -0.583 -3.613 -1.207 1.00 0.00 C ATOM 814 O ASN B 17 -1.744 -3.279 -1.417 1.00 0.00 O ATOM 815 CB ASN B 17 1.394 -2.186 -1.654 1.00 0.00 C ATOM 816 CG ASN B 17 2.310 -1.047 -1.231 1.00 0.00 C ATOM 817 OD1 ASN B 17 3.400 -1.282 -0.730 1.00 0.00 O ATOM 818 ND2 ASN B 17 1.903 0.196 -1.458 1.00 0.00 N ATOM 0 H ASN B 17 2.070 -3.261 0.539 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.119 -1.759 -0.191 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.007 -3.039 -1.945 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.837 -1.877 -2.539 1.00 0.00 H new ATOM 0 HD21 ASN B 17 2.505 0.982 -1.213 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.989 0.365 -1.877 1.00 0.00 H new ATOM 825 N TYR B 18 -0.095 -4.813 -1.507 1.00 0.00 N ATOM 826 CA TYR B 18 -0.906 -5.865 -2.092 1.00 0.00 C ATOM 827 C TYR B 18 -2.193 -6.073 -1.298 1.00 0.00 C ATOM 828 O TYR B 18 -3.288 -6.050 -1.859 1.00 0.00 O ATOM 829 CB TYR B 18 -0.102 -7.160 -2.127 1.00 0.00 C ATOM 830 CG TYR B 18 -0.489 -8.068 -3.259 1.00 0.00 C ATOM 831 CD1 TYR B 18 -0.034 -7.814 -4.540 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.305 -9.169 -3.055 1.00 0.00 C ATOM 833 CE1 TYR B 18 -0.377 -8.631 -5.591 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.655 -9.996 -4.103 1.00 0.00 C ATOM 835 CZ TYR B 18 -1.189 -9.722 -5.372 1.00 0.00 C ATOM 836 OH TYR B 18 -1.529 -10.542 -6.424 1.00 0.00 O ATOM 0 H TYR B 18 0.877 -5.080 -1.349 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.180 -5.571 -3.105 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.958 -6.920 -2.209 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.237 -7.689 -1.184 1.00 0.00 H new ATOM 0 HD1 TYR B 18 0.602 -6.959 -4.718 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.672 -9.383 -2.062 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -0.011 -8.418 -6.585 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.290 -10.852 -3.931 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.106 -11.266 -6.101 1.00 0.00 H new ATOM 846 N HIS B 19 -2.048 -6.250 0.012 1.00 0.00 N ATOM 847 CA HIS B 19 -3.192 -6.482 0.890 1.00 0.00 C ATOM 848 C HIS B 19 -4.172 -5.316 0.855 1.00 0.00 C ATOM 849 O HIS B 19 -5.368 -5.515 0.647 1.00 0.00 O ATOM 850 CB HIS B 19 -2.738 -6.733 2.330 1.00 0.00 C ATOM 851 CG HIS B 19 -2.272 -8.133 2.581 1.00 0.00 C ATOM 852 ND1 HIS B 19 -1.065 -8.716 2.395 1.00 0.00 N flip ATOM 853 CD2 HIS B 19 -3.091 -9.115 3.096 1.00 0.00 C flip ATOM 854 CE1 HIS B 19 -1.178 -10.023 2.796 1.00 0.00 C flip ATOM 855 NE2 HIS B 19 -2.409 -10.236 3.214 1.00 0.00 N flip ATOM 0 H HIS B 19 -1.147 -6.237 0.491 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.703 -7.371 0.520 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -1.930 -6.042 2.572 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.563 -6.508 3.006 1.00 0.00 H new ATOM 0 HD1 HIS B 19 -0.227 -8.267 2.025 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -4.130 -8.986 3.361 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -0.387 -10.758 2.773 1.00 0.00 H new ATOM 864 N LEU B 20 -3.662 -4.105 1.045 1.00 0.00 N ATOM 865 CA LEU B 20 -4.507 -2.914 1.056 1.00 0.00 C ATOM 866 C LEU B 20 -5.181 -2.716 -0.295 1.00 0.00 C ATOM 867 O LEU B 20 -6.373 -2.430 -0.366 1.00 0.00 O ATOM 868 CB LEU B 20 -3.685 -1.672 1.409 1.00 0.00 C ATOM 869 CG LEU B 20 -3.009 -1.699 2.781 1.00 0.00 C ATOM 870 CD1 LEU B 20 -2.106 -0.490 2.949 1.00 0.00 C ATOM 871 CD2 LEU B 20 -4.047 -1.749 3.891 1.00 0.00 C ATOM 0 H LEU B 20 -2.670 -3.921 1.193 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.276 -3.058 1.815 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.917 -1.537 0.647 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.337 -0.800 1.362 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.398 -2.599 2.846 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.632 -0.523 3.930 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.339 -0.499 2.175 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.698 0.421 2.863 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.545 -1.768 4.858 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.687 -0.868 3.831 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.655 -2.647 3.781 1.00 0.00 H new ATOM 883 N GLU B 21 -4.411 -2.898 -1.357 1.00 0.00 N ATOM 884 CA GLU B 21 -4.894 -2.705 -2.722 1.00 0.00 C ATOM 885 C GLU B 21 -6.044 -3.672 -3.007 1.00 0.00 C ATOM 886 O GLU B 21 -7.041 -3.304 -3.630 1.00 0.00 O ATOM 887 CB GLU B 21 -3.726 -2.921 -3.704 1.00 0.00 C ATOM 888 CG GLU B 21 -3.782 -2.119 -5.002 1.00 0.00 C ATOM 889 CD GLU B 21 -4.933 -2.505 -5.900 1.00 0.00 C ATOM 890 OE1 GLU B 21 -4.923 -3.639 -6.424 1.00 0.00 O ATOM 891 OE2 GLU B 21 -5.833 -1.671 -6.112 1.00 0.00 O ATOM 0 H GLU B 21 -3.433 -3.184 -1.300 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.272 -1.690 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.796 -2.677 -3.190 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.682 -3.980 -3.957 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.859 -1.059 -4.761 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.847 -2.256 -5.545 1.00 0.00 H new ATOM 898 N ASN B 22 -5.908 -4.902 -2.522 1.00 0.00 N ATOM 899 CA ASN B 22 -6.962 -5.900 -2.673 1.00 0.00 C ATOM 900 C ASN B 22 -8.190 -5.512 -1.863 1.00 0.00 C ATOM 901 O ASN B 22 -9.317 -5.641 -2.336 1.00 0.00 O ATOM 902 CB ASN B 22 -6.477 -7.289 -2.247 1.00 0.00 C ATOM 903 CG ASN B 22 -5.450 -7.884 -3.194 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.527 -7.528 -4.468 1.00 0.00 O flip ATOM 905 ND2 ASN B 22 -4.595 -8.669 -2.783 1.00 0.00 N flip ATOM 0 H ASN B 22 -5.082 -5.231 -2.023 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.230 -5.937 -3.729 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.045 -7.225 -1.248 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.333 -7.961 -2.182 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.566 -8.920 -1.795 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -3.916 -9.068 -3.431 1.00 0.00 H new ATOM 912 N GLU B 23 -7.969 -5.023 -0.644 1.00 0.00 N ATOM 913 CA GLU B 23 -9.066 -4.605 0.224 1.00 0.00 C ATOM 914 C GLU B 23 -9.848 -3.458 -0.398 1.00 0.00 C ATOM 915 O GLU B 23 -11.070 -3.389 -0.261 1.00 0.00 O ATOM 916 CB GLU B 23 -8.548 -4.189 1.602 1.00 0.00 C ATOM 917 CG GLU B 23 -8.002 -5.342 2.424 1.00 0.00 C ATOM 918 CD GLU B 23 -9.026 -6.433 2.656 1.00 0.00 C ATOM 919 OE1 GLU B 23 -8.846 -7.548 2.125 1.00 0.00 O ATOM 920 OE2 GLU B 23 -10.015 -6.183 3.376 1.00 0.00 O ATOM 0 H GLU B 23 -7.041 -4.907 -0.236 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.732 -5.460 0.343 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.764 -3.442 1.475 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.357 -3.711 2.155 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.135 -5.765 1.917 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.656 -4.964 3.386 1.00 0.00 H new ATOM 927 N VAL B 24 -9.143 -2.561 -1.082 1.00 0.00 N ATOM 928 CA VAL B 24 -9.790 -1.456 -1.773 1.00 0.00 C ATOM 929 C VAL B 24 -10.797 -1.994 -2.796 1.00 0.00 C ATOM 930 O VAL B 24 -11.990 -1.701 -2.725 1.00 0.00 O ATOM 931 CB VAL B 24 -8.775 -0.540 -2.491 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.492 0.588 -3.218 1.00 0.00 C ATOM 933 CG2 VAL B 24 -7.766 0.028 -1.505 1.00 0.00 C ATOM 0 H VAL B 24 -8.127 -2.580 -1.171 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.302 -0.861 -1.017 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.238 -1.142 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.760 1.222 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -10.174 0.169 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.057 1.182 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.062 0.670 -2.034 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.288 0.610 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.224 -0.789 -1.028 1.00 0.00 H new ATOM 943 N ALA B 25 -10.305 -2.802 -3.732 1.00 0.00 N ATOM 944 CA ALA B 25 -11.160 -3.416 -4.750 1.00 0.00 C ATOM 945 C ALA B 25 -12.280 -4.245 -4.118 1.00 0.00 C ATOM 946 O ALA B 25 -13.430 -4.191 -4.558 1.00 0.00 O ATOM 947 CB ALA B 25 -10.326 -4.283 -5.679 1.00 0.00 C ATOM 0 H ALA B 25 -9.318 -3.048 -3.808 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.623 -2.614 -5.325 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.972 -4.735 -6.432 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.571 -3.669 -6.170 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.837 -5.068 -5.102 1.00 0.00 H new ATOM 953 N ARG B 26 -11.928 -5.005 -3.086 1.00 0.00 N ATOM 954 CA ARG B 26 -12.876 -5.827 -2.340 1.00 0.00 C ATOM 955 C ARG B 26 -14.074 -5.002 -1.867 1.00 0.00 C ATOM 956 O ARG B 26 -15.226 -5.339 -2.144 1.00 0.00 O ATOM 957 CB ARG B 26 -12.151 -6.441 -1.141 1.00 0.00 C ATOM 958 CG ARG B 26 -13.009 -7.328 -0.261 1.00 0.00 C ATOM 959 CD ARG B 26 -12.217 -7.803 0.945 1.00 0.00 C ATOM 960 NE ARG B 26 -12.987 -8.706 1.795 1.00 0.00 N ATOM 961 CZ ARG B 26 -12.612 -9.079 3.014 1.00 0.00 C ATOM 962 NH1 ARG B 26 -11.501 -8.591 3.554 1.00 0.00 N ATOM 963 NH2 ARG B 26 -13.360 -9.930 3.706 1.00 0.00 N ATOM 0 H ARG B 26 -10.970 -5.069 -2.741 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.257 -6.613 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -11.306 -7.025 -1.506 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -11.742 -5.636 -0.531 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -13.891 -6.780 0.069 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -13.362 -8.186 -0.833 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -11.313 -8.309 0.606 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -11.899 -6.940 1.530 1.00 0.00 H new ATOM 0 HE ARG B 26 -13.866 -9.073 1.431 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -10.930 -7.926 3.033 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -11.219 -8.881 4.490 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -14.222 -10.297 3.302 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -13.073 -10.217 4.642 1.00 0.00 H new ATOM 977 N LEU B 27 -13.788 -3.916 -1.161 1.00 0.00 N ATOM 978 CA LEU B 27 -14.830 -3.046 -0.628 1.00 0.00 C ATOM 979 C LEU B 27 -15.619 -2.350 -1.736 1.00 0.00 C ATOM 980 O LEU B 27 -16.814 -2.091 -1.579 1.00 0.00 O ATOM 981 CB LEU B 27 -14.209 -2.024 0.323 1.00 0.00 C ATOM 982 CG LEU B 27 -13.676 -2.618 1.623 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.796 -1.621 2.342 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.823 -3.061 2.522 1.00 0.00 C ATOM 0 H LEU B 27 -12.838 -3.615 -0.943 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.539 -3.665 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.394 -1.515 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.956 -1.267 0.563 1.00 0.00 H new ATOM 0 HG LEU B 27 -13.075 -3.493 1.376 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.426 -2.063 3.267 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.953 -1.354 1.705 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.374 -0.726 2.574 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.421 -3.482 3.444 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.452 -2.203 2.759 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.418 -3.816 2.008 1.00 0.00 H new ATOM 996 N LYS B 28 -14.962 -2.061 -2.857 1.00 0.00 N ATOM 997 CA LYS B 28 -15.631 -1.451 -3.998 1.00 0.00 C ATOM 998 C LYS B 28 -16.680 -2.392 -4.570 1.00 0.00 C ATOM 999 O LYS B 28 -17.789 -1.969 -4.897 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.627 -1.074 -5.086 1.00 0.00 C ATOM 1001 CG LYS B 28 -13.775 0.130 -4.733 1.00 0.00 C ATOM 1002 CD LYS B 28 -12.878 0.531 -5.892 1.00 0.00 C ATOM 1003 CE LYS B 28 -12.355 1.953 -5.736 1.00 0.00 C ATOM 1004 NZ LYS B 28 -13.461 2.928 -5.532 1.00 0.00 N ATOM 0 H LYS B 28 -13.968 -2.240 -2.997 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.121 -0.543 -3.648 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.975 -1.926 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -15.166 -0.869 -6.011 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.419 0.967 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.164 -0.098 -3.860 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.038 -0.160 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.433 0.448 -6.827 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.670 1.998 -4.889 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.785 2.230 -6.623 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -13.192 3.847 -5.937 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.321 2.581 -6.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.643 3.038 -4.514 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.315 -3.666 -4.687 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.235 -4.702 -5.134 1.00 0.00 C ATOM 1020 C LYS B 29 -18.476 -4.755 -4.241 1.00 0.00 C ATOM 1021 O LYS B 29 -19.581 -5.039 -4.708 1.00 0.00 O ATOM 1022 CB LYS B 29 -16.518 -6.061 -5.123 1.00 0.00 C ATOM 1023 CG LYS B 29 -17.411 -7.253 -5.444 1.00 0.00 C ATOM 1024 CD LYS B 29 -16.673 -8.564 -5.229 1.00 0.00 C ATOM 1025 CE LYS B 29 -17.551 -9.758 -5.564 1.00 0.00 C ATOM 1026 NZ LYS B 29 -16.857 -11.046 -5.305 1.00 0.00 N ATOM 0 H LYS B 29 -15.377 -4.006 -4.475 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.559 -4.468 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -15.701 -6.032 -5.844 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.071 -6.213 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -18.300 -7.225 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.751 -7.189 -6.478 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.777 -8.584 -5.849 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.344 -8.632 -4.192 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.466 -9.713 -4.973 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.846 -9.709 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.489 -11.836 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -15.997 -11.100 -5.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.598 -11.105 -4.300 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.290 -4.471 -2.960 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.386 -4.520 -2.002 1.00 0.00 C ATOM 1042 C LEU B 30 -20.250 -3.263 -2.080 1.00 0.00 C ATOM 1043 O LEU B 30 -21.455 -3.345 -2.329 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.843 -4.684 -0.582 1.00 0.00 C ATOM 1045 CG LEU B 30 -17.981 -5.927 -0.349 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -17.455 -5.949 1.076 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -18.772 -7.193 -0.645 1.00 0.00 C ATOM 0 H LEU B 30 -17.391 -4.204 -2.560 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.007 -5.379 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.254 -3.802 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.685 -4.711 0.110 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.131 -5.888 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -16.844 -6.839 1.225 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -16.850 -5.060 1.254 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.293 -5.963 1.773 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.141 -8.065 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -19.642 -7.240 0.010 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.101 -7.182 -1.684 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.636 -2.099 -1.876 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.371 -0.840 -1.868 1.00 0.00 C ATOM 1061 C VAL B 31 -20.940 -0.484 -3.250 1.00 0.00 C ATOM 1062 O VAL B 31 -22.002 0.131 -3.348 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.491 0.321 -1.346 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -18.325 0.601 -2.282 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -20.322 1.573 -1.132 1.00 0.00 C ATOM 0 H VAL B 31 -18.633 -2.004 -1.715 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.212 -0.982 -1.189 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.077 0.015 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -17.728 1.422 -1.884 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -17.704 -0.291 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -18.706 0.873 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -19.683 2.376 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -20.776 1.874 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -21.105 1.370 -0.401 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.251 -0.898 -4.311 1.00 0.00 N ATOM 1076 CA GLY B 32 -20.692 -0.578 -5.651 1.00 0.00 C ATOM 1077 C GLY B 32 -20.167 0.764 -6.111 1.00 0.00 C ATOM 1078 O GLY B 32 -20.919 1.584 -6.637 1.00 0.00 O ATOM 0 H GLY B 32 -19.395 -1.450 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -20.357 -1.354 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -21.782 -0.572 -5.683 1.00 0.00 H new ATOM 1082 N GLU B 33 -18.874 0.987 -5.918 1.00 0.00 N ATOM 1083 CA GLU B 33 -18.256 2.257 -6.271 1.00 0.00 C ATOM 1084 C GLU B 33 -16.982 2.015 -7.079 1.00 0.00 C ATOM 1085 O GLU B 33 -17.088 1.809 -8.305 1.00 0.00 O ATOM 1086 CB GLU B 33 -17.948 3.065 -5.002 1.00 0.00 C ATOM 1087 CG GLU B 33 -17.478 4.490 -5.266 1.00 0.00 C ATOM 1088 CD GLU B 33 -18.524 5.338 -5.963 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -18.492 5.424 -7.211 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -19.370 5.937 -5.268 1.00 0.00 O ATOM 1091 OXT GLU B 33 -15.879 2.033 -6.492 1.00 0.00 O ATOM 0 H GLU B 33 -18.232 0.303 -5.518 1.00 0.00 H new ATOM 0 HA GLU B 33 -18.950 2.831 -6.885 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -18.843 3.099 -4.381 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -17.182 2.542 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -17.209 4.959 -4.320 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -16.575 4.462 -5.876 1.00 0.00 H new TER 1098 GLU B 33