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 17 ASN : amide:sc= -4.68! C(o=-3.6!,f=-8.4!) USER MOD Set 1.2: B 16 LYS NZ :NH3+ 175:sc= 1.1 (180deg=-0.0665) USER MOD Set 2.1: B 3 MET CE :methyl 167:sc= -0.102 (180deg=-0.507) USER MOD Set 2.2: B 5 GLN : amide:sc= -0.0308 K(o=-0.13,f=-1.7) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 177:sc= 1.14 (180deg=-0.0674) USER MOD Set 3.2: B 17 ASN : amide:sc= -4.76! C(o=-3.6!,f=-8.2!) USER MOD Set 4.1: A 3 MET CE :methyl 166:sc= -0.103 (180deg=-0.518) USER MOD Set 4.2: A 5 GLN : amide:sc=-0.000129 K(o=-0.1,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -62:sc= 0.539 USER MOD Single : A 4 LYS NZ :NH3+ 162:sc= -0.0179 (180deg=-0.303) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 0.0178 (180deg=0.00739) USER MOD Single : A 15 SER OG : rot 24:sc= 0.796 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.225 F(o=-0.84,f=0.23) USER MOD Single : A 22 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.91) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc=-0.00596 (180deg=-0.116) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot -63:sc= 0.536 USER MOD Single : B 4 LYS NZ :NH3+ 162:sc= -0.0197 (180deg=-0.317) USER MOD Single : B 9 LYS NZ :NH3+ 160:sc= 0.0171 (180deg=0.00337) USER MOD Single : B 15 SER OG : rot 25:sc= 0.824 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS :FLIP no HE2:sc= 0.226 F(o=-0.83,f=0.23) USER MOD Single : B 22 ASN : amide:sc= -1.03 X(o=-1,f=-0.88) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 171:sc=-0.00639 (180deg=-0.124) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.340 1.316 6.366 1.00 0.00 N ATOM 2 CA GLY A 1 20.344 0.924 5.341 1.00 0.00 C ATOM 3 C GLY A 1 19.328 2.017 5.079 1.00 0.00 C ATOM 4 O GLY A 1 18.177 1.925 5.508 1.00 0.00 O ATOM 0 H1 GLY A 1 22.014 0.537 6.511 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.853 2.162 6.046 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.853 1.524 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.859 0.679 4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.827 0.021 5.666 1.00 0.00 H new ATOM 10 N SER A 2 19.751 3.060 4.378 1.00 0.00 N ATOM 11 CA SER A 2 18.864 4.154 4.026 1.00 0.00 C ATOM 12 C SER A 2 19.128 4.584 2.584 1.00 0.00 C ATOM 13 O SER A 2 18.452 4.127 1.666 1.00 0.00 O ATOM 14 CB SER A 2 19.047 5.325 5.002 1.00 0.00 C ATOM 15 OG SER A 2 18.083 6.338 4.781 1.00 0.00 O ATOM 0 H SER A 2 20.708 3.169 4.042 1.00 0.00 H new ATOM 0 HA SER A 2 17.829 3.821 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.967 4.962 6.027 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.048 5.742 4.889 1.00 0.00 H new ATOM 0 HG SER A 2 18.191 6.701 3.877 1.00 0.00 H new ATOM 21 N MET A 3 20.126 5.441 2.382 1.00 0.00 N ATOM 22 CA MET A 3 20.558 5.841 1.040 1.00 0.00 C ATOM 23 C MET A 3 19.436 6.493 0.224 1.00 0.00 C ATOM 24 O MET A 3 18.274 6.538 0.634 1.00 0.00 O ATOM 25 CB MET A 3 21.109 4.633 0.274 1.00 0.00 C ATOM 26 CG MET A 3 22.419 4.098 0.827 1.00 0.00 C ATOM 27 SD MET A 3 22.876 2.505 0.114 1.00 0.00 S ATOM 28 CE MET A 3 22.824 2.881 -1.636 1.00 0.00 C ATOM 0 H MET A 3 20.656 5.877 3.136 1.00 0.00 H new ATOM 0 HA MET A 3 21.341 6.587 1.176 1.00 0.00 H new ATOM 0 HB2 MET A 3 20.366 3.835 0.291 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.254 4.912 -0.770 1.00 0.00 H new ATOM 0 HG2 MET A 3 23.212 4.820 0.633 1.00 0.00 H new ATOM 0 HG3 MET A 3 22.338 3.997 1.909 1.00 0.00 H new ATOM 0 HE1 MET A 3 23.316 2.084 -2.194 1.00 0.00 H new ATOM 0 HE2 MET A 3 21.786 2.963 -1.960 1.00 0.00 H new ATOM 0 HE3 MET A 3 23.338 3.824 -1.821 1.00 0.00 H new ATOM 38 N LYS A 4 19.789 6.985 -0.948 1.00 0.00 N ATOM 39 CA LYS A 4 18.818 7.590 -1.842 1.00 0.00 C ATOM 40 C LYS A 4 17.898 6.514 -2.416 1.00 0.00 C ATOM 41 O LYS A 4 16.710 6.745 -2.650 1.00 0.00 O ATOM 42 CB LYS A 4 19.547 8.317 -2.973 1.00 0.00 C ATOM 43 CG LYS A 4 18.651 9.193 -3.829 1.00 0.00 C ATOM 44 CD LYS A 4 19.423 9.807 -4.983 1.00 0.00 C ATOM 45 CE LYS A 4 18.592 10.833 -5.733 1.00 0.00 C ATOM 46 NZ LYS A 4 18.268 12.011 -4.886 1.00 0.00 N ATOM 0 H LYS A 4 20.744 6.978 -1.305 1.00 0.00 H new ATOM 0 HA LYS A 4 18.214 8.308 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.336 8.934 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.031 7.578 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 4 17.822 8.601 -4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.218 9.984 -3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.329 10.280 -4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.737 9.021 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 4 19.135 11.162 -6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.668 10.369 -6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.978 12.805 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 17.492 11.769 -4.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 19.107 12.284 -4.336 1.00 0.00 H new ATOM 60 N GLN A 5 18.460 5.325 -2.598 1.00 0.00 N ATOM 61 CA GLN A 5 17.765 4.230 -3.261 1.00 0.00 C ATOM 62 C GLN A 5 16.572 3.727 -2.450 1.00 0.00 C ATOM 63 O GLN A 5 15.483 3.555 -2.998 1.00 0.00 O ATOM 64 CB GLN A 5 18.739 3.088 -3.549 1.00 0.00 C ATOM 65 CG GLN A 5 19.864 3.495 -4.487 1.00 0.00 C ATOM 66 CD GLN A 5 20.780 2.346 -4.851 1.00 0.00 C ATOM 67 OE1 GLN A 5 20.978 1.416 -4.072 1.00 0.00 O ATOM 68 NE2 GLN A 5 21.349 2.405 -6.045 1.00 0.00 N ATOM 0 H GLN A 5 19.405 5.094 -2.292 1.00 0.00 H new ATOM 0 HA GLN A 5 17.371 4.613 -4.202 1.00 0.00 H new ATOM 0 HB2 GLN A 5 19.165 2.735 -2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.193 2.252 -3.986 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.436 3.913 -5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 5 20.451 4.285 -4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 5 21.159 3.194 -6.662 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.978 1.661 -6.348 1.00 0.00 H new ATOM 77 N LEU A 6 16.759 3.501 -1.152 1.00 0.00 N ATOM 78 CA LEU A 6 15.663 3.009 -0.324 1.00 0.00 C ATOM 79 C LEU A 6 14.619 4.100 -0.140 1.00 0.00 C ATOM 80 O LEU A 6 13.423 3.819 -0.078 1.00 0.00 O ATOM 81 CB LEU A 6 16.146 2.510 1.043 1.00 0.00 C ATOM 82 CG LEU A 6 16.958 1.206 1.040 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.334 1.407 0.420 1.00 0.00 C ATOM 84 CD2 LEU A 6 17.093 0.666 2.454 1.00 0.00 C ATOM 0 H LEU A 6 17.640 3.647 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 6 15.220 2.159 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 6 16.755 3.292 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 6 15.276 2.370 1.684 1.00 0.00 H new ATOM 0 HG LEU A 6 16.420 0.480 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.881 0.464 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 6 18.223 1.746 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 6 18.885 2.155 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.671 -0.258 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 6 17.603 1.401 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 6 16.103 0.467 2.864 1.00 0.00 H new ATOM 96 N GLU A 7 15.072 5.349 -0.074 1.00 0.00 N ATOM 97 CA GLU A 7 14.158 6.478 0.050 1.00 0.00 C ATOM 98 C GLU A 7 13.211 6.557 -1.148 1.00 0.00 C ATOM 99 O GLU A 7 12.002 6.712 -0.979 1.00 0.00 O ATOM 100 CB GLU A 7 14.929 7.797 0.189 1.00 0.00 C ATOM 101 CG GLU A 7 15.117 8.265 1.627 1.00 0.00 C ATOM 102 CD GLU A 7 16.122 7.443 2.411 1.00 0.00 C ATOM 103 OE1 GLU A 7 15.815 6.279 2.743 1.00 0.00 O ATOM 104 OE2 GLU A 7 17.212 7.977 2.707 1.00 0.00 O ATOM 0 H GLU A 7 16.059 5.603 -0.104 1.00 0.00 H new ATOM 0 HA GLU A 7 13.567 6.319 0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.909 7.682 -0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.402 8.572 -0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.439 9.306 1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.155 8.231 2.139 1.00 0.00 H new ATOM 111 N ASP A 8 13.761 6.425 -2.351 1.00 0.00 N ATOM 112 CA ASP A 8 12.973 6.568 -3.577 1.00 0.00 C ATOM 113 C ASP A 8 12.063 5.371 -3.827 1.00 0.00 C ATOM 114 O ASP A 8 11.104 5.471 -4.589 1.00 0.00 O ATOM 115 CB ASP A 8 13.876 6.772 -4.793 1.00 0.00 C ATOM 116 CG ASP A 8 14.391 8.190 -4.905 1.00 0.00 C ATOM 117 OD1 ASP A 8 15.608 8.397 -4.731 1.00 0.00 O ATOM 118 OD2 ASP A 8 13.572 9.096 -5.165 1.00 0.00 O ATOM 0 H ASP A 8 14.748 6.219 -2.506 1.00 0.00 H new ATOM 0 HA ASP A 8 12.348 7.449 -3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.721 6.086 -4.732 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.324 6.518 -5.698 1.00 0.00 H new ATOM 123 N LYS A 9 12.366 4.241 -3.212 1.00 0.00 N ATOM 124 CA LYS A 9 11.568 3.039 -3.417 1.00 0.00 C ATOM 125 C LYS A 9 10.555 2.832 -2.295 1.00 0.00 C ATOM 126 O LYS A 9 9.357 2.727 -2.547 1.00 0.00 O ATOM 127 CB LYS A 9 12.469 1.812 -3.554 1.00 0.00 C ATOM 128 CG LYS A 9 13.131 1.696 -4.917 1.00 0.00 C ATOM 129 CD LYS A 9 14.046 0.485 -4.994 1.00 0.00 C ATOM 130 CE LYS A 9 14.542 0.251 -6.412 1.00 0.00 C ATOM 131 NZ LYS A 9 15.512 -0.875 -6.488 1.00 0.00 N ATOM 0 H LYS A 9 13.152 4.128 -2.571 1.00 0.00 H new ATOM 0 HA LYS A 9 11.010 3.173 -4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.241 1.850 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.879 0.915 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.365 1.623 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.705 2.600 -5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.897 0.628 -4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.512 -0.398 -4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.693 0.042 -7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.013 1.160 -6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.591 -1.199 -7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.443 -0.554 -6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.181 -1.660 -5.891 1.00 0.00 H new ATOM 145 N VAL A 10 11.032 2.795 -1.059 1.00 0.00 N ATOM 146 CA VAL A 10 10.170 2.501 0.079 1.00 0.00 C ATOM 147 C VAL A 10 9.161 3.623 0.311 1.00 0.00 C ATOM 148 O VAL A 10 7.955 3.377 0.368 1.00 0.00 O ATOM 149 CB VAL A 10 10.991 2.266 1.366 1.00 0.00 C ATOM 150 CG1 VAL A 10 10.079 1.930 2.538 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.014 1.160 1.151 1.00 0.00 C ATOM 0 H VAL A 10 12.009 2.964 -0.818 1.00 0.00 H new ATOM 0 HA VAL A 10 9.630 1.585 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 10 11.522 3.188 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.681 1.769 3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.388 2.755 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.515 1.025 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.583 1.008 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.500 0.236 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.692 1.443 0.346 1.00 0.00 H new ATOM 161 N GLU A 11 9.646 4.857 0.410 1.00 0.00 N ATOM 162 CA GLU A 11 8.770 5.993 0.681 1.00 0.00 C ATOM 163 C GLU A 11 7.858 6.270 -0.510 1.00 0.00 C ATOM 164 O GLU A 11 6.834 6.946 -0.378 1.00 0.00 O ATOM 165 CB GLU A 11 9.581 7.238 1.027 1.00 0.00 C ATOM 166 CG GLU A 11 10.408 7.082 2.291 1.00 0.00 C ATOM 167 CD GLU A 11 11.057 8.379 2.727 1.00 0.00 C ATOM 168 OE1 GLU A 11 12.102 8.740 2.153 1.00 0.00 O ATOM 169 OE2 GLU A 11 10.519 9.033 3.645 1.00 0.00 O ATOM 0 H GLU A 11 10.632 5.095 0.308 1.00 0.00 H new ATOM 0 HA GLU A 11 8.150 5.738 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.243 7.475 0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.903 8.083 1.146 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.771 6.711 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.181 6.331 2.125 1.00 0.00 H new ATOM 176 N GLU A 12 8.245 5.759 -1.671 1.00 0.00 N ATOM 177 CA GLU A 12 7.389 5.805 -2.849 1.00 0.00 C ATOM 178 C GLU A 12 6.077 5.067 -2.580 1.00 0.00 C ATOM 179 O GLU A 12 4.996 5.614 -2.786 1.00 0.00 O ATOM 180 CB GLU A 12 8.104 5.188 -4.054 1.00 0.00 C ATOM 181 CG GLU A 12 7.325 5.297 -5.356 1.00 0.00 C ATOM 182 CD GLU A 12 7.084 6.735 -5.774 1.00 0.00 C ATOM 183 OE1 GLU A 12 6.036 7.296 -5.393 1.00 0.00 O ATOM 184 OE2 GLU A 12 7.944 7.299 -6.483 1.00 0.00 O ATOM 0 H GLU A 12 9.147 5.307 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 12 7.165 6.848 -3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.071 5.675 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.302 4.136 -3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.870 4.780 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.367 4.789 -5.245 1.00 0.00 H new ATOM 191 N LEU A 13 6.168 3.819 -2.129 1.00 0.00 N ATOM 192 CA LEU A 13 4.971 3.072 -1.757 1.00 0.00 C ATOM 193 C LEU A 13 4.299 3.645 -0.517 1.00 0.00 C ATOM 194 O LEU A 13 3.091 3.501 -0.354 1.00 0.00 O ATOM 195 CB LEU A 13 5.249 1.578 -1.572 1.00 0.00 C ATOM 196 CG LEU A 13 5.459 0.825 -2.878 1.00 0.00 C ATOM 197 CD1 LEU A 13 6.897 0.948 -3.355 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.055 -0.634 -2.734 1.00 0.00 C ATOM 0 H LEU A 13 7.044 3.310 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 13 4.281 3.180 -2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.134 1.457 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.415 1.127 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 13 4.818 1.279 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.018 0.401 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.138 1.999 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.567 0.533 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.214 -1.151 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.659 -1.104 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.002 -0.695 -2.460 1.00 0.00 H new ATOM 210 N LEU A 14 5.070 4.299 0.347 1.00 0.00 N ATOM 211 CA LEU A 14 4.506 5.003 1.496 1.00 0.00 C ATOM 212 C LEU A 14 3.414 5.960 1.048 1.00 0.00 C ATOM 213 O LEU A 14 2.322 5.982 1.613 1.00 0.00 O ATOM 214 CB LEU A 14 5.587 5.802 2.231 1.00 0.00 C ATOM 215 CG LEU A 14 6.402 5.075 3.310 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.820 5.362 4.681 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.469 3.574 3.074 1.00 0.00 C ATOM 0 H LEU A 14 6.086 4.357 0.274 1.00 0.00 H new ATOM 0 HA LEU A 14 4.089 4.254 2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.284 6.187 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.109 6.664 2.696 1.00 0.00 H new ATOM 0 HG LEU A 14 7.422 5.455 3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.404 4.842 5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.850 6.435 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.787 5.015 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.056 3.107 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.461 3.160 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.938 3.378 2.110 1.00 0.00 H new ATOM 229 N SER A 15 3.714 6.749 0.030 1.00 0.00 N ATOM 230 CA SER A 15 2.740 7.680 -0.511 1.00 0.00 C ATOM 231 C SER A 15 1.710 6.950 -1.372 1.00 0.00 C ATOM 232 O SER A 15 0.538 7.336 -1.402 1.00 0.00 O ATOM 233 CB SER A 15 3.436 8.789 -1.305 1.00 0.00 C ATOM 234 OG SER A 15 4.478 8.269 -2.112 1.00 0.00 O ATOM 0 H SER A 15 4.621 6.763 -0.437 1.00 0.00 H new ATOM 0 HA SER A 15 2.210 8.143 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.707 9.301 -1.934 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.842 9.531 -0.618 1.00 0.00 H new ATOM 0 HG SER A 15 4.308 7.321 -2.295 1.00 0.00 H new ATOM 240 N LYS A 16 2.136 5.883 -2.054 1.00 0.00 N ATOM 241 CA LYS A 16 1.227 5.111 -2.886 1.00 0.00 C ATOM 242 C LYS A 16 0.105 4.501 -2.046 1.00 0.00 C ATOM 243 O LYS A 16 -1.074 4.689 -2.353 1.00 0.00 O ATOM 244 CB LYS A 16 1.981 4.015 -3.644 1.00 0.00 C ATOM 245 CG LYS A 16 1.141 3.319 -4.708 1.00 0.00 C ATOM 246 CD LYS A 16 1.971 2.348 -5.536 1.00 0.00 C ATOM 247 CE LYS A 16 2.430 1.153 -4.715 1.00 0.00 C ATOM 248 NZ LYS A 16 1.305 0.247 -4.364 1.00 0.00 N ATOM 0 H LYS A 16 3.097 5.541 -2.043 1.00 0.00 H new ATOM 0 HA LYS A 16 0.782 5.789 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.861 4.451 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.338 3.272 -2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.322 2.782 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.693 4.066 -5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.383 2.001 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.840 2.866 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.181 0.596 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.910 1.505 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.672 -0.578 -3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.624 0.755 -3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.831 -0.070 -5.233 1.00 0.00 H new ATOM 262 N ASN A 17 0.456 3.796 -0.969 1.00 0.00 N ATOM 263 CA ASN A 17 -0.559 3.165 -0.139 1.00 0.00 C ATOM 264 C ASN A 17 -1.234 4.177 0.789 1.00 0.00 C ATOM 265 O ASN A 17 -2.298 3.908 1.330 1.00 0.00 O ATOM 266 CB ASN A 17 -0.020 1.946 0.643 1.00 0.00 C ATOM 267 CG ASN A 17 1.152 2.215 1.584 1.00 0.00 C ATOM 268 OD1 ASN A 17 2.009 1.350 1.757 1.00 0.00 O ATOM 269 ND2 ASN A 17 1.192 3.369 2.225 1.00 0.00 N ATOM 0 H ASN A 17 1.417 3.652 -0.659 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.319 2.781 -0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.838 1.524 1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.285 1.185 -0.076 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.947 3.561 2.883 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.468 4.068 2.062 1.00 0.00 H new ATOM 276 N TYR A 18 -0.618 5.344 0.965 1.00 0.00 N ATOM 277 CA TYR A 18 -1.224 6.414 1.755 1.00 0.00 C ATOM 278 C TYR A 18 -2.516 6.896 1.099 1.00 0.00 C ATOM 279 O TYR A 18 -3.581 6.879 1.719 1.00 0.00 O ATOM 280 CB TYR A 18 -0.256 7.592 1.915 1.00 0.00 C ATOM 281 CG TYR A 18 -0.800 8.719 2.768 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.667 8.695 4.150 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.449 9.805 2.191 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.164 9.719 4.933 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.948 10.832 2.967 1.00 0.00 C ATOM 286 CZ TYR A 18 -1.804 10.785 4.337 1.00 0.00 C ATOM 287 OH TYR A 18 -2.299 11.809 5.113 1.00 0.00 O ATOM 0 H TYR A 18 0.296 5.572 0.574 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.452 6.013 2.742 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.672 7.230 2.357 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.008 7.983 0.928 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.167 7.862 4.621 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.565 9.846 1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.052 9.685 6.007 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.449 11.669 2.503 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.719 12.482 4.538 1.00 0.00 H new ATOM 297 N HIS A 19 -2.420 7.310 -0.161 1.00 0.00 N ATOM 298 CA HIS A 19 -3.587 7.808 -0.891 1.00 0.00 C ATOM 299 C HIS A 19 -4.573 6.675 -1.132 1.00 0.00 C ATOM 300 O HIS A 19 -5.789 6.864 -1.100 1.00 0.00 O ATOM 301 CB HIS A 19 -3.173 8.441 -2.221 1.00 0.00 C ATOM 302 CG HIS A 19 -2.416 9.723 -2.066 1.00 0.00 C ATOM 303 ND1 HIS A 19 -1.123 9.953 -1.748 1.00 0.00 N flip ATOM 304 CD2 HIS A 19 -2.988 10.962 -2.249 1.00 0.00 C flip ATOM 305 CE1 HIS A 19 -0.938 11.311 -1.748 1.00 0.00 C flip ATOM 306 NE2 HIS A 19 -2.079 11.896 -2.056 1.00 0.00 N flip ATOM 0 H HIS A 19 -1.552 7.312 -0.697 1.00 0.00 H new ATOM 0 HA HIS A 19 -4.067 8.577 -0.285 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.559 7.731 -2.776 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.065 8.626 -2.819 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -0.416 9.247 -1.545 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.021 11.140 -2.510 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.010 11.819 -1.531 1.00 0.00 H new ATOM 315 N LEU A 20 -4.024 5.498 -1.368 1.00 0.00 N ATOM 316 CA LEU A 20 -4.793 4.275 -1.471 1.00 0.00 C ATOM 317 C LEU A 20 -5.702 4.091 -0.252 1.00 0.00 C ATOM 318 O LEU A 20 -6.884 3.778 -0.395 1.00 0.00 O ATOM 319 CB LEU A 20 -3.790 3.124 -1.630 1.00 0.00 C ATOM 320 CG LEU A 20 -4.246 1.704 -1.338 1.00 0.00 C ATOM 321 CD1 LEU A 20 -4.257 1.464 0.163 1.00 0.00 C ATOM 322 CD2 LEU A 20 -5.600 1.396 -1.965 1.00 0.00 C ATOM 0 H LEU A 20 -3.021 5.364 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.460 4.304 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.422 3.147 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.940 3.336 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.534 1.018 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.585 0.444 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.253 1.609 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.941 2.167 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.885 0.371 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.349 2.081 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.536 1.516 -3.046 1.00 0.00 H new ATOM 334 N GLU A 21 -5.159 4.294 0.943 1.00 0.00 N ATOM 335 CA GLU A 21 -5.927 4.067 2.163 1.00 0.00 C ATOM 336 C GLU A 21 -7.061 5.076 2.301 1.00 0.00 C ATOM 337 O GLU A 21 -8.020 4.845 3.040 1.00 0.00 O ATOM 338 CB GLU A 21 -5.017 4.080 3.388 1.00 0.00 C ATOM 339 CG GLU A 21 -4.104 2.862 3.463 1.00 0.00 C ATOM 340 CD GLU A 21 -3.202 2.881 4.680 1.00 0.00 C ATOM 341 OE1 GLU A 21 -3.676 2.519 5.777 1.00 0.00 O ATOM 342 OE2 GLU A 21 -2.019 3.250 4.534 1.00 0.00 O ATOM 0 H GLU A 21 -4.201 4.612 1.094 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.380 3.078 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.408 4.984 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.629 4.124 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.712 1.958 3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.491 2.816 2.563 1.00 0.00 H new ATOM 349 N ASN A 22 -6.963 6.178 1.567 1.00 0.00 N ATOM 350 CA ASN A 22 -8.055 7.140 1.492 1.00 0.00 C ATOM 351 C ASN A 22 -9.197 6.546 0.680 1.00 0.00 C ATOM 352 O ASN A 22 -10.371 6.799 0.945 1.00 0.00 O ATOM 353 CB ASN A 22 -7.600 8.448 0.839 1.00 0.00 C ATOM 354 CG ASN A 22 -6.485 9.144 1.597 1.00 0.00 C ATOM 355 OD1 ASN A 22 -6.370 9.027 2.817 1.00 0.00 O ATOM 356 ND2 ASN A 22 -5.664 9.887 0.875 1.00 0.00 N ATOM 0 H ASN A 22 -6.141 6.427 1.017 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.386 7.359 2.507 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.264 8.241 -0.177 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.453 9.123 0.761 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.900 10.390 1.327 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.794 9.957 -0.134 1.00 0.00 H new ATOM 363 N GLU A 23 -8.833 5.731 -0.304 1.00 0.00 N ATOM 364 CA GLU A 23 -9.804 5.099 -1.187 1.00 0.00 C ATOM 365 C GLU A 23 -10.517 3.953 -0.476 1.00 0.00 C ATOM 366 O GLU A 23 -11.689 3.692 -0.725 1.00 0.00 O ATOM 367 CB GLU A 23 -9.116 4.590 -2.456 1.00 0.00 C ATOM 368 CG GLU A 23 -10.071 3.973 -3.465 1.00 0.00 C ATOM 369 CD GLU A 23 -9.386 3.580 -4.756 1.00 0.00 C ATOM 370 OE1 GLU A 23 -9.367 4.405 -5.688 1.00 0.00 O ATOM 371 OE2 GLU A 23 -8.866 2.447 -4.834 1.00 0.00 O ATOM 0 H GLU A 23 -7.863 5.492 -0.510 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.548 5.845 -1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.587 5.418 -2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.366 3.849 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.539 3.093 -3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.869 4.682 -3.684 1.00 0.00 H new ATOM 378 N VAL A 24 -9.812 3.270 0.414 1.00 0.00 N ATOM 379 CA VAL A 24 -10.436 2.211 1.198 1.00 0.00 C ATOM 380 C VAL A 24 -11.477 2.826 2.125 1.00 0.00 C ATOM 381 O VAL A 24 -12.538 2.253 2.364 1.00 0.00 O ATOM 382 CB VAL A 24 -9.417 1.414 2.040 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.047 0.136 2.587 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.174 1.093 1.229 1.00 0.00 C ATOM 0 H VAL A 24 -8.823 3.425 0.611 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.896 1.514 0.498 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.119 2.037 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.310 -0.409 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.899 0.391 3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.382 -0.488 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.472 0.531 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.451 0.497 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.705 2.020 0.899 1.00 0.00 H new ATOM 394 N ALA A 25 -11.172 4.021 2.614 1.00 0.00 N ATOM 395 CA ALA A 25 -12.088 4.741 3.484 1.00 0.00 C ATOM 396 C ALA A 25 -13.278 5.274 2.695 1.00 0.00 C ATOM 397 O ALA A 25 -14.383 5.388 3.229 1.00 0.00 O ATOM 398 CB ALA A 25 -11.367 5.876 4.194 1.00 0.00 C ATOM 0 H ALA A 25 -10.298 4.510 2.422 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.462 4.045 4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.068 6.404 4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.553 5.470 4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.962 6.568 3.456 1.00 0.00 H new ATOM 404 N ARG A 26 -13.053 5.585 1.416 1.00 0.00 N ATOM 405 CA ARG A 26 -14.113 6.107 0.563 1.00 0.00 C ATOM 406 C ARG A 26 -15.203 5.058 0.404 1.00 0.00 C ATOM 407 O ARG A 26 -16.393 5.353 0.509 1.00 0.00 O ATOM 408 CB ARG A 26 -13.558 6.554 -0.810 1.00 0.00 C ATOM 409 CG ARG A 26 -13.623 5.510 -1.927 1.00 0.00 C ATOM 410 CD ARG A 26 -13.135 6.073 -3.254 1.00 0.00 C ATOM 411 NE ARG A 26 -13.895 7.251 -3.664 1.00 0.00 N ATOM 412 CZ ARG A 26 -14.371 7.449 -4.893 1.00 0.00 C ATOM 413 NH1 ARG A 26 -14.176 6.544 -5.846 1.00 0.00 N ATOM 414 NH2 ARG A 26 -15.041 8.559 -5.167 1.00 0.00 N ATOM 0 H ARG A 26 -12.149 5.484 0.954 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.543 6.990 1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.108 7.438 -1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.518 6.855 -0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.017 4.646 -1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.649 5.158 -2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.080 6.334 -3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.214 5.305 -4.024 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.073 7.970 -2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.659 5.690 -5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.544 6.704 -6.784 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.190 9.257 -4.439 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.407 8.715 -6.106 1.00 0.00 H new ATOM 428 N LEU A 27 -14.778 3.826 0.186 1.00 0.00 N ATOM 429 CA LEU A 27 -15.695 2.710 0.044 1.00 0.00 C ATOM 430 C LEU A 27 -16.314 2.333 1.380 1.00 0.00 C ATOM 431 O LEU A 27 -17.517 2.105 1.465 1.00 0.00 O ATOM 432 CB LEU A 27 -14.973 1.512 -0.543 1.00 0.00 C ATOM 433 CG LEU A 27 -14.368 1.724 -1.921 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.306 0.681 -2.197 1.00 0.00 C ATOM 435 CD2 LEU A 27 -15.457 1.665 -2.978 1.00 0.00 C ATOM 0 H LEU A 27 -13.794 3.572 0.103 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.495 3.017 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.178 1.217 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.673 0.678 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.899 2.707 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.882 0.846 -3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.518 0.757 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.752 -0.313 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.016 1.818 -3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.943 0.690 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.194 2.445 -2.785 1.00 0.00 H new ATOM 447 N LYS A 28 -15.489 2.273 2.418 1.00 0.00 N ATOM 448 CA LYS A 28 -15.949 1.897 3.748 1.00 0.00 C ATOM 449 C LYS A 28 -17.141 2.745 4.192 1.00 0.00 C ATOM 450 O LYS A 28 -18.118 2.216 4.728 1.00 0.00 O ATOM 451 CB LYS A 28 -14.801 2.017 4.751 1.00 0.00 C ATOM 452 CG LYS A 28 -15.099 1.380 6.095 1.00 0.00 C ATOM 453 CD LYS A 28 -13.858 1.309 6.963 1.00 0.00 C ATOM 454 CE LYS A 28 -14.135 0.580 8.266 1.00 0.00 C ATOM 455 NZ LYS A 28 -12.907 0.428 9.089 1.00 0.00 N ATOM 0 H LYS A 28 -14.492 2.481 2.363 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.283 0.860 3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.910 1.553 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.570 3.072 4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.871 1.954 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.496 0.376 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.062 0.799 6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.503 2.317 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.888 1.126 8.835 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.551 -0.404 8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.139 -0.074 9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.198 -0.115 8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.524 1.367 9.317 1.00 0.00 H new ATOM 469 N LYS A 29 -17.087 4.050 3.943 1.00 0.00 N ATOM 470 CA LYS A 29 -18.171 4.928 4.340 1.00 0.00 C ATOM 471 C LYS A 29 -19.368 4.798 3.400 1.00 0.00 C ATOM 472 O LYS A 29 -20.502 5.075 3.788 1.00 0.00 O ATOM 473 CB LYS A 29 -17.699 6.378 4.428 1.00 0.00 C ATOM 474 CG LYS A 29 -17.267 6.996 3.107 1.00 0.00 C ATOM 475 CD LYS A 29 -16.842 8.444 3.298 1.00 0.00 C ATOM 476 CE LYS A 29 -16.361 9.076 2.000 1.00 0.00 C ATOM 477 NZ LYS A 29 -17.421 9.103 0.959 1.00 0.00 N ATOM 0 H LYS A 29 -16.310 4.515 3.473 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.497 4.619 5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.504 6.981 4.848 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.864 6.430 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.441 6.423 2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.088 6.945 2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.681 9.019 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.046 8.493 4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.023 10.093 2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.501 8.521 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.100 9.674 0.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.619 8.133 0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -18.287 9.520 1.356 1.00 0.00 H new ATOM 491 N LEU A 30 -19.114 4.363 2.174 1.00 0.00 N ATOM 492 CA LEU A 30 -20.181 4.107 1.215 1.00 0.00 C ATOM 493 C LEU A 30 -20.958 2.849 1.589 1.00 0.00 C ATOM 494 O LEU A 30 -22.154 2.743 1.324 1.00 0.00 O ATOM 495 CB LEU A 30 -19.605 3.963 -0.191 1.00 0.00 C ATOM 496 CG LEU A 30 -19.119 5.262 -0.842 1.00 0.00 C ATOM 497 CD1 LEU A 30 -18.503 4.977 -2.203 1.00 0.00 C ATOM 498 CD2 LEU A 30 -20.262 6.256 -0.977 1.00 0.00 C ATOM 0 H LEU A 30 -18.176 4.179 1.819 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.865 4.955 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.771 3.262 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.366 3.518 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 30 -18.356 5.701 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -18.163 5.911 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.656 4.302 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -19.248 4.514 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -19.895 7.171 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -21.048 5.824 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -20.663 6.486 0.010 1.00 0.00 H new ATOM 510 N VAL A 31 -20.270 1.891 2.204 1.00 0.00 N ATOM 511 CA VAL A 31 -20.902 0.641 2.607 1.00 0.00 C ATOM 512 C VAL A 31 -21.582 0.788 3.967 1.00 0.00 C ATOM 513 O VAL A 31 -22.551 0.088 4.264 1.00 0.00 O ATOM 514 CB VAL A 31 -19.886 -0.526 2.672 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.598 -1.858 2.859 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.025 -0.563 1.423 1.00 0.00 C ATOM 0 H VAL A 31 -19.278 1.957 2.433 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.649 0.409 1.847 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.240 -0.356 3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -19.862 -2.661 2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.168 -1.839 3.788 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.274 -2.030 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.319 -1.391 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.660 -0.699 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.477 0.375 1.331 1.00 0.00 H new ATOM 526 N GLY A 32 -21.084 1.701 4.795 1.00 0.00 N ATOM 527 CA GLY A 32 -21.660 1.859 6.115 1.00 0.00 C ATOM 528 C GLY A 32 -21.085 3.013 6.912 1.00 0.00 C ATOM 529 O GLY A 32 -21.802 3.614 7.713 1.00 0.00 O ATOM 0 H GLY A 32 -20.305 2.324 4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -22.736 2.002 6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -21.513 0.936 6.676 1.00 0.00 H new ATOM 533 N GLU A 33 -19.809 3.339 6.683 1.00 0.00 N ATOM 534 CA GLU A 33 -19.099 4.340 7.485 1.00 0.00 C ATOM 535 C GLU A 33 -19.034 3.910 8.949 1.00 0.00 C ATOM 536 O GLU A 33 -19.955 4.246 9.720 1.00 0.00 O ATOM 537 CB GLU A 33 -19.755 5.722 7.359 1.00 0.00 C ATOM 538 CG GLU A 33 -18.992 6.828 8.068 1.00 0.00 C ATOM 539 CD GLU A 33 -19.672 8.177 7.944 1.00 0.00 C ATOM 540 OE1 GLU A 33 -19.410 8.882 6.948 1.00 0.00 O ATOM 541 OE2 GLU A 33 -20.461 8.528 8.846 1.00 0.00 O ATOM 542 OXT GLU A 33 -18.055 3.233 9.323 1.00 0.00 O ATOM 0 H GLU A 33 -19.244 2.921 5.944 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.082 4.415 7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -19.847 5.976 6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.766 5.673 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.887 6.574 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.986 6.893 7.654 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 21.303 -1.561 -7.081 1.00 0.00 N ATOM 551 CA GLY B 1 20.321 -1.158 -6.048 1.00 0.00 C ATOM 552 C GLY B 1 19.301 -2.241 -5.770 1.00 0.00 C ATOM 553 O GLY B 1 18.143 -2.137 -6.182 1.00 0.00 O ATOM 0 H1 GLY B 1 21.980 -0.787 -7.237 1.00 0.00 H new ATOM 0 H2 GLY B 1 21.814 -2.409 -6.763 1.00 0.00 H new ATOM 0 H3 GLY B 1 20.806 -1.770 -7.970 1.00 0.00 H new ATOM 0 HA2 GLY B 1 20.848 -0.913 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY B 1 19.807 -0.253 -6.372 1.00 0.00 H new ATOM 559 N SER B 2 19.727 -3.284 -5.073 1.00 0.00 N ATOM 560 CA SER B 2 18.839 -4.375 -4.713 1.00 0.00 C ATOM 561 C SER B 2 19.107 -4.801 -3.269 1.00 0.00 C ATOM 562 O SER B 2 18.432 -4.344 -2.351 1.00 0.00 O ATOM 563 CB SER B 2 19.016 -5.550 -5.683 1.00 0.00 C ATOM 564 OG SER B 2 18.060 -6.567 -5.446 1.00 0.00 O ATOM 0 H SER B 2 20.686 -3.396 -4.745 1.00 0.00 H new ATOM 0 HA SER B 2 17.805 -4.039 -4.786 1.00 0.00 H new ATOM 0 HB2 SER B 2 18.923 -5.194 -6.709 1.00 0.00 H new ATOM 0 HB3 SER B 2 20.020 -5.961 -5.578 1.00 0.00 H new ATOM 0 HG SER B 2 18.191 -6.936 -4.547 1.00 0.00 H new ATOM 570 N MET B 3 20.108 -5.655 -3.072 1.00 0.00 N ATOM 571 CA MET B 3 20.547 -6.053 -1.729 1.00 0.00 C ATOM 572 C MET B 3 19.430 -6.703 -0.903 1.00 0.00 C ATOM 573 O MET B 3 18.268 -6.755 -1.311 1.00 0.00 O ATOM 574 CB MET B 3 21.103 -4.841 -0.971 1.00 0.00 C ATOM 575 CG MET B 3 22.415 -4.315 -1.528 1.00 0.00 C ATOM 576 SD MET B 3 22.885 -2.721 -0.821 1.00 0.00 S ATOM 577 CE MET B 3 22.830 -3.087 0.932 1.00 0.00 C ATOM 0 H MET B 3 20.636 -6.090 -3.829 1.00 0.00 H new ATOM 0 HA MET B 3 21.327 -6.801 -1.867 1.00 0.00 H new ATOM 0 HB2 MET B 3 20.363 -4.041 -0.993 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.247 -5.113 0.075 1.00 0.00 H new ATOM 0 HG2 MET B 3 23.204 -5.041 -1.333 1.00 0.00 H new ATOM 0 HG3 MET B 3 22.332 -4.217 -2.610 1.00 0.00 H new ATOM 0 HE1 MET B 3 23.313 -2.283 1.487 1.00 0.00 H new ATOM 0 HE2 MET B 3 21.792 -3.177 1.253 1.00 0.00 H new ATOM 0 HE3 MET B 3 23.352 -4.025 1.124 1.00 0.00 H new ATOM 587 N LYS B 4 19.785 -7.185 0.272 1.00 0.00 N ATOM 588 CA LYS B 4 18.812 -7.784 1.172 1.00 0.00 C ATOM 589 C LYS B 4 17.900 -6.703 1.746 1.00 0.00 C ATOM 590 O LYS B 4 16.712 -6.928 1.988 1.00 0.00 O ATOM 591 CB LYS B 4 19.543 -8.511 2.304 1.00 0.00 C ATOM 592 CG LYS B 4 18.647 -9.381 3.165 1.00 0.00 C ATOM 593 CD LYS B 4 19.424 -9.992 4.319 1.00 0.00 C ATOM 594 CE LYS B 4 18.594 -11.016 5.073 1.00 0.00 C ATOM 595 NZ LYS B 4 18.271 -12.195 4.228 1.00 0.00 N ATOM 0 H LYS B 4 20.741 -7.175 0.628 1.00 0.00 H new ATOM 0 HA LYS B 4 18.203 -8.500 0.621 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.329 -9.132 1.874 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.032 -7.772 2.939 1.00 0.00 H new ATOM 0 HG2 LYS B 4 17.821 -8.785 3.554 1.00 0.00 H new ATOM 0 HG3 LYS B 4 18.210 -10.173 2.557 1.00 0.00 H new ATOM 0 HD2 LYS B 4 20.329 -10.466 3.938 1.00 0.00 H new ATOM 0 HD3 LYS B 4 19.740 -9.204 5.003 1.00 0.00 H new ATOM 0 HE2 LYS B 4 19.137 -11.342 5.960 1.00 0.00 H new ATOM 0 HE3 LYS B 4 17.670 -10.552 5.418 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 17.981 -12.988 4.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 17.495 -11.955 3.579 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 19.110 -12.468 3.678 1.00 0.00 H new ATOM 609 N GLN B 5 18.466 -5.515 1.919 1.00 0.00 N ATOM 610 CA GLN B 5 17.778 -4.415 2.580 1.00 0.00 C ATOM 611 C GLN B 5 16.581 -3.913 1.776 1.00 0.00 C ATOM 612 O GLN B 5 15.495 -3.737 2.334 1.00 0.00 O ATOM 613 CB GLN B 5 18.756 -3.276 2.857 1.00 0.00 C ATOM 614 CG GLN B 5 19.883 -3.679 3.793 1.00 0.00 C ATOM 615 CD GLN B 5 20.803 -2.530 4.148 1.00 0.00 C ATOM 616 OE1 GLN B 5 20.993 -1.601 3.364 1.00 0.00 O ATOM 617 NE2 GLN B 5 21.380 -2.583 5.337 1.00 0.00 N ATOM 0 H GLN B 5 19.410 -5.288 1.607 1.00 0.00 H new ATOM 0 HA GLN B 5 17.389 -4.793 3.525 1.00 0.00 H new ATOM 0 HB2 GLN B 5 19.180 -2.930 1.914 1.00 0.00 H new ATOM 0 HB3 GLN B 5 18.214 -2.435 3.290 1.00 0.00 H new ATOM 0 HG2 GLN B 5 19.457 -4.091 4.708 1.00 0.00 H new ATOM 0 HG3 GLN B 5 20.467 -4.473 3.328 1.00 0.00 H new ATOM 0 HE21 GLN B 5 21.196 -3.371 5.958 1.00 0.00 H new ATOM 0 HE22 GLN B 5 22.008 -1.836 5.633 1.00 0.00 H new ATOM 626 N LEU B 6 16.758 -3.695 0.475 1.00 0.00 N ATOM 627 CA LEU B 6 15.660 -3.203 -0.349 1.00 0.00 C ATOM 628 C LEU B 6 14.612 -4.291 -0.526 1.00 0.00 C ATOM 629 O LEU B 6 13.417 -4.008 -0.585 1.00 0.00 O ATOM 630 CB LEU B 6 16.139 -2.710 -1.721 1.00 0.00 C ATOM 631 CG LEU B 6 16.953 -1.407 -1.728 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.333 -1.610 -1.117 1.00 0.00 C ATOM 633 CD2 LEU B 6 17.082 -0.872 -3.143 1.00 0.00 C ATOM 0 H LEU B 6 17.635 -3.848 -0.023 1.00 0.00 H new ATOM 0 HA LEU B 6 15.222 -2.351 0.170 1.00 0.00 H new ATOM 0 HB2 LEU B 6 16.745 -3.495 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.266 -2.572 -2.359 1.00 0.00 H new ATOM 0 HG LEU B 6 16.419 -0.678 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.882 -0.669 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU B 6 18.228 -1.946 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU B 6 18.878 -2.361 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.661 0.051 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU B 6 17.587 -1.610 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU B 6 16.090 -0.673 -3.549 1.00 0.00 H new ATOM 645 N GLU B 7 15.062 -5.542 -0.591 1.00 0.00 N ATOM 646 CA GLU B 7 14.145 -6.670 -0.707 1.00 0.00 C ATOM 647 C GLU B 7 13.203 -6.740 0.496 1.00 0.00 C ATOM 648 O GLU B 7 11.989 -6.887 0.334 1.00 0.00 O ATOM 649 CB GLU B 7 14.912 -7.991 -0.842 1.00 0.00 C ATOM 650 CG GLU B 7 15.093 -8.468 -2.279 1.00 0.00 C ATOM 651 CD GLU B 7 16.095 -7.649 -3.071 1.00 0.00 C ATOM 652 OE1 GLU B 7 15.789 -6.485 -3.405 1.00 0.00 O ATOM 653 OE2 GLU B 7 17.183 -8.185 -3.370 1.00 0.00 O ATOM 0 H GLU B 7 16.049 -5.798 -0.565 1.00 0.00 H new ATOM 0 HA GLU B 7 13.551 -6.515 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU B 7 15.894 -7.876 -0.383 1.00 0.00 H new ATOM 0 HB3 GLU B 7 14.386 -8.762 -0.279 1.00 0.00 H new ATOM 0 HG2 GLU B 7 15.415 -9.509 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU B 7 14.129 -8.437 -2.787 1.00 0.00 H new ATOM 660 N ASP B 8 13.761 -6.607 1.696 1.00 0.00 N ATOM 661 CA ASP B 8 12.977 -6.743 2.926 1.00 0.00 C ATOM 662 C ASP B 8 12.072 -5.543 3.173 1.00 0.00 C ATOM 663 O ASP B 8 11.111 -5.640 3.932 1.00 0.00 O ATOM 664 CB ASP B 8 13.885 -6.944 4.141 1.00 0.00 C ATOM 665 CG ASP B 8 14.390 -8.367 4.266 1.00 0.00 C ATOM 666 OD1 ASP B 8 15.602 -8.585 4.069 1.00 0.00 O ATOM 667 OD2 ASP B 8 13.574 -9.262 4.563 1.00 0.00 O ATOM 0 H ASP B 8 14.750 -6.406 1.846 1.00 0.00 H new ATOM 0 HA ASP B 8 12.349 -7.623 2.789 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.736 -6.266 4.070 1.00 0.00 H new ATOM 0 HB3 ASP B 8 13.339 -6.676 5.046 1.00 0.00 H new ATOM 672 N LYS B 9 12.377 -4.415 2.553 1.00 0.00 N ATOM 673 CA LYS B 9 11.583 -3.208 2.758 1.00 0.00 C ATOM 674 C LYS B 9 10.566 -3.003 1.641 1.00 0.00 C ATOM 675 O LYS B 9 9.370 -2.894 1.899 1.00 0.00 O ATOM 676 CB LYS B 9 12.486 -1.982 2.887 1.00 0.00 C ATOM 677 CG LYS B 9 13.152 -1.862 4.248 1.00 0.00 C ATOM 678 CD LYS B 9 14.072 -0.655 4.318 1.00 0.00 C ATOM 679 CE LYS B 9 14.569 -0.416 5.734 1.00 0.00 C ATOM 680 NZ LYS B 9 15.550 0.701 5.801 1.00 0.00 N ATOM 0 H LYS B 9 13.160 -4.307 1.909 1.00 0.00 H new ATOM 0 HA LYS B 9 11.031 -3.337 3.689 1.00 0.00 H new ATOM 0 HB2 LYS B 9 13.256 -2.025 2.117 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.897 -1.085 2.699 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.388 -1.783 5.021 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.723 -2.767 4.455 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.923 -0.805 3.653 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.542 0.229 3.963 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.722 -0.193 6.383 1.00 0.00 H new ATOM 0 HE3 LYS B 9 15.031 -1.327 6.114 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.607 1.055 6.777 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 16.485 0.360 5.501 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.244 1.470 5.172 1.00 0.00 H new ATOM 694 N VAL B 10 11.038 -2.970 0.404 1.00 0.00 N ATOM 695 CA VAL B 10 10.169 -2.677 -0.731 1.00 0.00 C ATOM 696 C VAL B 10 9.154 -3.793 -0.953 1.00 0.00 C ATOM 697 O VAL B 10 7.950 -3.545 -1.000 1.00 0.00 O ATOM 698 CB VAL B 10 10.983 -2.451 -2.023 1.00 0.00 C ATOM 699 CG1 VAL B 10 10.067 -2.116 -3.193 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.009 -1.347 -1.816 1.00 0.00 C ATOM 0 H VAL B 10 12.013 -3.141 0.159 1.00 0.00 H new ATOM 0 HA VAL B 10 9.634 -1.758 -0.492 1.00 0.00 H new ATOM 0 HB VAL B 10 11.509 -3.376 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL B 10 10.665 -1.961 -4.091 1.00 0.00 H new ATOM 0 HG12 VAL B 10 9.371 -2.939 -3.358 1.00 0.00 H new ATOM 0 HG13 VAL B 10 9.508 -1.208 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL B 10 12.575 -1.199 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL B 10 11.499 -0.421 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL B 10 12.689 -1.629 -1.012 1.00 0.00 H new ATOM 710 N GLU B 11 9.635 -5.030 -1.051 1.00 0.00 N ATOM 711 CA GLU B 11 8.752 -6.163 -1.315 1.00 0.00 C ATOM 712 C GLU B 11 7.844 -6.428 -0.120 1.00 0.00 C ATOM 713 O GLU B 11 6.811 -7.086 -0.247 1.00 0.00 O ATOM 714 CB GLU B 11 9.558 -7.411 -1.656 1.00 0.00 C ATOM 715 CG GLU B 11 10.380 -7.268 -2.924 1.00 0.00 C ATOM 716 CD GLU B 11 11.014 -8.575 -3.353 1.00 0.00 C ATOM 717 OE1 GLU B 11 12.064 -8.938 -2.788 1.00 0.00 O ATOM 718 OE2 GLU B 11 10.462 -9.232 -4.256 1.00 0.00 O ATOM 0 H GLU B 11 10.621 -5.272 -0.953 1.00 0.00 H new ATOM 0 HA GLU B 11 8.129 -5.912 -2.174 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.223 -7.644 -0.825 1.00 0.00 H new ATOM 0 HB3 GLU B 11 8.878 -8.256 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.743 -6.896 -3.726 1.00 0.00 H new ATOM 0 HG3 GLU B 11 11.160 -6.524 -2.766 1.00 0.00 H new ATOM 725 N GLU B 12 8.241 -5.923 1.041 1.00 0.00 N ATOM 726 CA GLU B 12 7.392 -5.964 2.224 1.00 0.00 C ATOM 727 C GLU B 12 6.078 -5.227 1.958 1.00 0.00 C ATOM 728 O GLU B 12 4.997 -5.771 2.170 1.00 0.00 O ATOM 729 CB GLU B 12 8.111 -5.345 3.422 1.00 0.00 C ATOM 730 CG GLU B 12 7.339 -5.446 4.727 1.00 0.00 C ATOM 731 CD GLU B 12 7.092 -6.881 5.150 1.00 0.00 C ATOM 732 OE1 GLU B 12 6.031 -7.431 4.794 1.00 0.00 O ATOM 733 OE2 GLU B 12 7.961 -7.455 5.838 1.00 0.00 O ATOM 0 H GLU B 12 9.148 -5.479 1.189 1.00 0.00 H new ATOM 0 HA GLU B 12 7.171 -7.006 2.454 1.00 0.00 H new ATOM 0 HB2 GLU B 12 9.077 -5.834 3.545 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.310 -4.294 3.210 1.00 0.00 H new ATOM 0 HG2 GLU B 12 7.891 -4.930 5.512 1.00 0.00 H new ATOM 0 HG3 GLU B 12 6.383 -4.933 4.620 1.00 0.00 H new ATOM 740 N LEU B 13 6.171 -3.981 1.504 1.00 0.00 N ATOM 741 CA LEU B 13 4.974 -3.231 1.133 1.00 0.00 C ATOM 742 C LEU B 13 4.296 -3.808 -0.103 1.00 0.00 C ATOM 743 O LEU B 13 3.087 -3.661 -0.259 1.00 0.00 O ATOM 744 CB LEU B 13 5.255 -1.738 0.940 1.00 0.00 C ATOM 745 CG LEU B 13 5.474 -0.980 2.244 1.00 0.00 C ATOM 746 CD1 LEU B 13 6.914 -1.105 2.717 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.073 0.480 2.093 1.00 0.00 C ATOM 0 H LEU B 13 7.048 -3.475 1.385 1.00 0.00 H new ATOM 0 HA LEU B 13 4.288 -3.333 1.974 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.137 -1.622 0.311 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.420 -1.287 0.404 1.00 0.00 H new ATOM 0 HG LEU B 13 4.836 -1.429 3.005 1.00 0.00 H new ATOM 0 HD11 LEU B 13 7.040 -0.554 3.649 1.00 0.00 H new ATOM 0 HD12 LEU B 13 7.153 -2.156 2.881 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.583 -0.695 1.960 1.00 0.00 H new ATOM 0 HD21 LEU B 13 5.238 1.002 3.036 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.675 0.944 1.312 1.00 0.00 H new ATOM 0 HD23 LEU B 13 4.019 0.542 1.823 1.00 0.00 H new ATOM 759 N LEU B 14 5.062 -4.465 -0.970 1.00 0.00 N ATOM 760 CA LEU B 14 4.491 -5.174 -2.113 1.00 0.00 C ATOM 761 C LEU B 14 3.401 -6.127 -1.656 1.00 0.00 C ATOM 762 O LEU B 14 2.312 -6.159 -2.223 1.00 0.00 O ATOM 763 CB LEU B 14 5.569 -5.977 -2.850 1.00 0.00 C ATOM 764 CG LEU B 14 6.378 -5.255 -3.935 1.00 0.00 C ATOM 765 CD1 LEU B 14 5.790 -5.546 -5.300 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.449 -3.752 -3.704 1.00 0.00 C ATOM 0 H LEU B 14 6.078 -4.522 -0.904 1.00 0.00 H new ATOM 0 HA LEU B 14 4.070 -4.428 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.270 -6.359 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU B 14 5.089 -6.841 -3.309 1.00 0.00 H new ATOM 0 HG LEU B 14 7.398 -5.636 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.371 -5.029 -6.064 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.818 -6.619 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.757 -5.199 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU B 14 7.033 -3.289 -4.500 1.00 0.00 H new ATOM 0 HD22 LEU B 14 5.442 -3.336 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU B 14 6.924 -3.554 -2.743 1.00 0.00 H new ATOM 778 N SER B 15 3.704 -6.910 -0.635 1.00 0.00 N ATOM 779 CA SER B 15 2.731 -7.834 -0.088 1.00 0.00 C ATOM 780 C SER B 15 1.706 -7.099 0.775 1.00 0.00 C ATOM 781 O SER B 15 0.532 -7.482 0.806 1.00 0.00 O ATOM 782 CB SER B 15 3.431 -8.941 0.704 1.00 0.00 C ATOM 783 OG SER B 15 4.485 -8.420 1.494 1.00 0.00 O ATOM 0 H SER B 15 4.612 -6.923 -0.171 1.00 0.00 H new ATOM 0 HA SER B 15 2.193 -8.298 -0.915 1.00 0.00 H new ATOM 0 HB2 SER B 15 2.708 -9.445 1.345 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.825 -9.690 0.017 1.00 0.00 H new ATOM 0 HG SER B 15 4.314 -7.474 1.685 1.00 0.00 H new ATOM 789 N LYS B 16 2.136 -6.029 1.450 1.00 0.00 N ATOM 790 CA LYS B 16 1.233 -5.254 2.287 1.00 0.00 C ATOM 791 C LYS B 16 0.109 -4.637 1.454 1.00 0.00 C ATOM 792 O LYS B 16 -1.068 -4.803 1.776 1.00 0.00 O ATOM 793 CB LYS B 16 1.998 -4.161 3.040 1.00 0.00 C ATOM 794 CG LYS B 16 1.168 -3.460 4.107 1.00 0.00 C ATOM 795 CD LYS B 16 2.001 -2.486 4.926 1.00 0.00 C ATOM 796 CE LYS B 16 2.459 -1.296 4.097 1.00 0.00 C ATOM 797 NZ LYS B 16 1.334 -0.391 3.743 1.00 0.00 N ATOM 0 H LYS B 16 3.097 -5.687 1.430 1.00 0.00 H new ATOM 0 HA LYS B 16 0.787 -5.931 3.015 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.878 -4.602 3.508 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.355 -3.420 2.324 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.345 -2.925 3.633 1.00 0.00 H new ATOM 0 HG3 LYS B 16 0.725 -4.204 4.769 1.00 0.00 H new ATOM 0 HD2 LYS B 16 1.416 -2.133 5.776 1.00 0.00 H new ATOM 0 HD3 LYS B 16 2.871 -3.003 5.331 1.00 0.00 H new ATOM 0 HE2 LYS B 16 3.212 -0.737 4.653 1.00 0.00 H new ATOM 0 HE3 LYS B 16 2.936 -1.653 3.185 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 1.704 0.448 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.669 -0.892 3.120 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 0.841 -0.095 4.609 1.00 0.00 H new ATOM 811 N ASN B 17 0.457 -3.942 0.370 1.00 0.00 N ATOM 812 CA ASN B 17 -0.560 -3.311 -0.458 1.00 0.00 C ATOM 813 C ASN B 17 -1.244 -4.324 -1.378 1.00 0.00 C ATOM 814 O ASN B 17 -2.311 -4.057 -1.914 1.00 0.00 O ATOM 815 CB ASN B 17 -0.021 -2.097 -1.248 1.00 0.00 C ATOM 816 CG ASN B 17 1.146 -2.374 -2.190 1.00 0.00 C ATOM 817 OD1 ASN B 17 2.003 -1.511 -2.374 1.00 0.00 O ATOM 818 ND2 ASN B 17 1.181 -3.532 -2.823 1.00 0.00 N ATOM 0 H ASN B 17 1.417 -3.806 0.053 1.00 0.00 H new ATOM 0 HA ASN B 17 -1.315 -2.921 0.225 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -0.840 -1.676 -1.831 1.00 0.00 H new ATOM 0 HB3 ASN B 17 0.288 -1.333 -0.534 1.00 0.00 H new ATOM 0 HD21 ASN B 17 1.932 -3.729 -3.484 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.457 -4.229 -2.651 1.00 0.00 H new ATOM 825 N TYR B 18 -0.631 -5.493 -1.554 1.00 0.00 N ATOM 826 CA TYR B 18 -1.245 -6.565 -2.335 1.00 0.00 C ATOM 827 C TYR B 18 -2.534 -7.041 -1.671 1.00 0.00 C ATOM 828 O TYR B 18 -3.601 -7.026 -2.285 1.00 0.00 O ATOM 829 CB TYR B 18 -0.281 -7.744 -2.500 1.00 0.00 C ATOM 830 CG TYR B 18 -0.833 -8.871 -3.346 1.00 0.00 C ATOM 831 CD1 TYR B 18 -0.707 -8.854 -4.729 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.480 -9.953 -2.761 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.211 -9.882 -5.504 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.985 -10.983 -3.529 1.00 0.00 C ATOM 835 CZ TYR B 18 -1.849 -10.944 -4.898 1.00 0.00 C ATOM 836 OH TYR B 18 -2.349 -11.973 -5.665 1.00 0.00 O ATOM 0 H TYR B 18 0.285 -5.721 -1.169 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.480 -6.166 -3.322 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.644 -7.384 -2.950 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.026 -8.133 -1.514 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.207 -8.024 -5.207 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.590 -9.989 -1.687 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.106 -9.854 -6.578 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.485 -11.816 -3.057 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.767 -12.642 -5.083 1.00 0.00 H new ATOM 846 N HIS B 19 -2.432 -7.453 -0.410 1.00 0.00 N ATOM 847 CA HIS B 19 -3.598 -7.947 0.328 1.00 0.00 C ATOM 848 C HIS B 19 -4.583 -6.811 0.564 1.00 0.00 C ATOM 849 O HIS B 19 -5.800 -6.999 0.530 1.00 0.00 O ATOM 850 CB HIS B 19 -3.176 -8.574 1.660 1.00 0.00 C ATOM 851 CG HIS B 19 -2.425 -9.861 1.506 1.00 0.00 C ATOM 852 ND1 HIS B 19 -1.132 -10.096 1.182 1.00 0.00 N flip ATOM 853 CD2 HIS B 19 -3.002 -11.098 1.688 1.00 0.00 C flip ATOM 854 CE1 HIS B 19 -0.956 -11.455 1.172 1.00 0.00 C flip ATOM 855 NE2 HIS B 19 -2.098 -12.037 1.481 1.00 0.00 N flip ATOM 0 H HIS B 19 -1.562 -7.456 0.122 1.00 0.00 H new ATOM 0 HA HIS B 19 -4.083 -8.719 -0.269 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.555 -7.864 2.206 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -4.064 -8.752 2.266 1.00 0.00 H new ATOM 0 HD1 HIS B 19 -0.421 -9.392 0.982 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -4.033 -11.272 1.958 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -0.032 -11.966 0.947 1.00 0.00 H new ATOM 864 N LEU B 20 -4.031 -5.634 0.795 1.00 0.00 N ATOM 865 CA LEU B 20 -4.798 -4.406 0.895 1.00 0.00 C ATOM 866 C LEU B 20 -5.709 -4.226 -0.321 1.00 0.00 C ATOM 867 O LEU B 20 -6.891 -3.914 -0.177 1.00 0.00 O ATOM 868 CB LEU B 20 -3.790 -3.259 1.041 1.00 0.00 C ATOM 869 CG LEU B 20 -4.243 -1.838 0.749 1.00 0.00 C ATOM 870 CD1 LEU B 20 -4.261 -1.604 -0.753 1.00 0.00 C ATOM 871 CD2 LEU B 20 -5.592 -1.525 1.383 1.00 0.00 C ATOM 0 H LEU B 20 -3.027 -5.502 0.920 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.462 -4.428 1.759 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.413 -3.281 2.063 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -2.947 -3.477 0.386 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.528 -1.151 1.202 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -4.586 -0.584 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -3.260 -1.754 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.950 -2.306 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -5.875 -0.499 1.148 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -6.345 -2.208 0.991 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.522 -1.643 2.464 1.00 0.00 H new ATOM 883 N GLU B 21 -5.167 -4.434 -1.516 1.00 0.00 N ATOM 884 CA GLU B 21 -5.938 -4.211 -2.734 1.00 0.00 C ATOM 885 C GLU B 21 -7.076 -5.220 -2.862 1.00 0.00 C ATOM 886 O GLU B 21 -8.037 -4.995 -3.601 1.00 0.00 O ATOM 887 CB GLU B 21 -5.033 -4.231 -3.965 1.00 0.00 C ATOM 888 CG GLU B 21 -4.119 -3.016 -4.046 1.00 0.00 C ATOM 889 CD GLU B 21 -3.223 -3.034 -5.270 1.00 0.00 C ATOM 890 OE1 GLU B 21 -3.703 -2.673 -6.364 1.00 0.00 O ATOM 891 OE2 GLU B 21 -2.038 -3.403 -5.130 1.00 0.00 O ATOM 0 H GLU B 21 -4.210 -4.752 -1.667 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.388 -3.220 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.426 -5.136 -3.949 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -5.650 -4.276 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -4.726 -2.111 -4.059 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.501 -2.972 -3.149 1.00 0.00 H new ATOM 898 N ASN B 22 -6.979 -6.317 -2.122 1.00 0.00 N ATOM 899 CA ASN B 22 -8.072 -7.277 -2.041 1.00 0.00 C ATOM 900 C ASN B 22 -9.213 -6.678 -1.226 1.00 0.00 C ATOM 901 O ASN B 22 -10.388 -6.934 -1.488 1.00 0.00 O ATOM 902 CB ASN B 22 -7.618 -8.588 -1.389 1.00 0.00 C ATOM 903 CG ASN B 22 -6.510 -9.290 -2.153 1.00 0.00 C ATOM 904 OD1 ASN B 22 -6.401 -9.172 -3.375 1.00 0.00 O ATOM 905 ND2 ASN B 22 -5.685 -10.035 -1.434 1.00 0.00 N ATOM 0 H ASN B 22 -6.157 -6.564 -1.571 1.00 0.00 H new ATOM 0 HA ASN B 22 -8.406 -7.497 -3.055 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -7.275 -8.381 -0.375 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -8.473 -9.259 -1.306 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.924 -10.538 -1.890 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -5.810 -10.106 -0.424 1.00 0.00 H new ATOM 912 N GLU B 23 -8.843 -5.855 -0.249 1.00 0.00 N ATOM 913 CA GLU B 23 -9.808 -5.219 0.638 1.00 0.00 C ATOM 914 C GLU B 23 -10.520 -4.072 -0.073 1.00 0.00 C ATOM 915 O GLU B 23 -11.692 -3.804 0.183 1.00 0.00 O ATOM 916 CB GLU B 23 -9.113 -4.711 1.905 1.00 0.00 C ATOM 917 CG GLU B 23 -10.061 -4.089 2.917 1.00 0.00 C ATOM 918 CD GLU B 23 -9.365 -3.689 4.204 1.00 0.00 C ATOM 919 OE1 GLU B 23 -9.328 -4.515 5.140 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.857 -2.551 4.275 1.00 0.00 O ATOM 0 H GLU B 23 -7.872 -5.612 -0.052 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.554 -5.962 0.922 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.586 -5.541 2.377 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -8.361 -3.974 1.625 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -10.532 -3.211 2.475 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -10.858 -4.797 3.145 1.00 0.00 H new ATOM 927 N VAL B 24 -9.818 -3.396 -0.970 1.00 0.00 N ATOM 928 CA VAL B 24 -10.444 -2.338 -1.755 1.00 0.00 C ATOM 929 C VAL B 24 -11.491 -2.954 -2.673 1.00 0.00 C ATOM 930 O VAL B 24 -12.554 -2.381 -2.905 1.00 0.00 O ATOM 931 CB VAL B 24 -9.426 -1.546 -2.605 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.056 -0.266 -3.153 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.178 -1.227 -1.802 1.00 0.00 C ATOM 0 H VAL B 24 -8.831 -3.555 -1.172 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.899 -1.636 -1.056 1.00 0.00 H new ATOM 0 HB VAL B 24 -9.135 -2.172 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -9.321 0.275 -3.748 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -10.912 -0.520 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.385 0.361 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.478 -0.669 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.448 -0.628 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.711 -2.155 -1.472 1.00 0.00 H new ATOM 943 N ALA B 25 -11.193 -4.151 -3.160 1.00 0.00 N ATOM 944 CA ALA B 25 -12.113 -4.871 -4.025 1.00 0.00 C ATOM 945 C ALA B 25 -13.300 -5.401 -3.229 1.00 0.00 C ATOM 946 O ALA B 25 -14.406 -5.522 -3.759 1.00 0.00 O ATOM 947 CB ALA B 25 -11.396 -6.008 -4.735 1.00 0.00 C ATOM 0 H ALA B 25 -10.320 -4.643 -2.970 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.490 -4.177 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -12.100 -6.536 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.584 -5.605 -5.340 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.990 -6.699 -3.997 1.00 0.00 H new ATOM 953 N ARG B 26 -13.070 -5.703 -1.949 1.00 0.00 N ATOM 954 CA ARG B 26 -14.129 -6.222 -1.089 1.00 0.00 C ATOM 955 C ARG B 26 -15.215 -5.168 -0.927 1.00 0.00 C ATOM 956 O ARG B 26 -16.407 -5.457 -1.023 1.00 0.00 O ATOM 957 CB ARG B 26 -13.566 -6.666 0.282 1.00 0.00 C ATOM 958 CG ARG B 26 -13.623 -5.617 1.396 1.00 0.00 C ATOM 959 CD ARG B 26 -13.129 -6.174 2.723 1.00 0.00 C ATOM 960 NE ARG B 26 -13.888 -7.351 3.145 1.00 0.00 N ATOM 961 CZ ARG B 26 -14.370 -7.534 4.375 1.00 0.00 C ATOM 962 NH1 ARG B 26 -14.177 -6.622 5.323 1.00 0.00 N ATOM 963 NH2 ARG B 26 -15.045 -8.640 4.658 1.00 0.00 N ATOM 0 H ARG B 26 -12.165 -5.597 -1.490 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.565 -7.105 -1.557 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -14.115 -7.548 0.611 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -12.528 -6.969 0.147 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -13.017 -4.756 1.115 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.648 -5.263 1.509 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -12.075 -6.436 2.635 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -13.203 -5.402 3.489 1.00 0.00 H new ATOM 0 HE ARG B 26 -14.060 -8.080 2.453 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -13.655 -5.771 5.113 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -14.551 -6.773 6.260 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -15.193 -9.346 3.937 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -15.416 -8.785 5.597 1.00 0.00 H new ATOM 977 N LEU B 27 -14.784 -3.936 -0.718 1.00 0.00 N ATOM 978 CA LEU B 27 -15.698 -2.817 -0.578 1.00 0.00 C ATOM 979 C LEU B 27 -16.322 -2.443 -1.911 1.00 0.00 C ATOM 980 O LEU B 27 -17.525 -2.214 -1.990 1.00 0.00 O ATOM 981 CB LEU B 27 -14.969 -1.617 0.002 1.00 0.00 C ATOM 982 CG LEU B 27 -14.357 -1.826 1.378 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.292 -0.784 1.643 1.00 0.00 C ATOM 984 CD2 LEU B 27 -15.442 -1.762 2.439 1.00 0.00 C ATOM 0 H LEU B 27 -13.798 -3.685 -0.641 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.497 -3.120 0.099 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.177 -1.326 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.667 -0.781 0.057 1.00 0.00 H new ATOM 0 HG LEU B 27 -13.889 -2.810 1.414 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.863 -0.946 2.632 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.509 -0.865 0.889 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.737 0.210 1.599 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.998 -1.912 3.423 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.927 -0.786 2.405 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -16.181 -2.541 2.251 1.00 0.00 H new ATOM 996 N LYS B 28 -15.502 -2.388 -2.954 1.00 0.00 N ATOM 997 CA LYS B 28 -15.967 -2.017 -4.283 1.00 0.00 C ATOM 998 C LYS B 28 -17.164 -2.865 -4.717 1.00 0.00 C ATOM 999 O LYS B 28 -18.139 -2.340 -5.259 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.824 -2.144 -5.292 1.00 0.00 C ATOM 1001 CG LYS B 28 -15.127 -1.512 -6.637 1.00 0.00 C ATOM 1002 CD LYS B 28 -13.886 -1.451 -7.514 1.00 0.00 C ATOM 1003 CE LYS B 28 -14.164 -0.724 -8.817 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.940 -0.582 -9.648 1.00 0.00 N ATOM 0 H LYS B 28 -14.505 -2.597 -2.903 1.00 0.00 H new ATOM 0 HA LYS B 28 -16.297 -0.979 -4.248 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.930 -1.680 -4.875 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.596 -3.200 -5.439 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.904 -2.085 -7.143 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.519 -0.506 -6.488 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.084 -0.945 -6.977 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.539 -2.462 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.923 -1.267 -9.380 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -14.572 0.263 -8.601 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -13.174 -0.080 -10.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.224 -0.042 -9.122 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.564 -1.524 -9.876 1.00 0.00 H new ATOM 1018 N LYS B 29 -17.113 -4.169 -4.459 1.00 0.00 N ATOM 1019 CA LYS B 29 -18.203 -5.044 -4.848 1.00 0.00 C ATOM 1020 C LYS B 29 -19.394 -4.906 -3.904 1.00 0.00 C ATOM 1021 O LYS B 29 -20.533 -5.181 -4.283 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.736 -6.496 -4.932 1.00 0.00 C ATOM 1023 CG LYS B 29 -17.294 -7.110 -3.612 1.00 0.00 C ATOM 1024 CD LYS B 29 -16.872 -8.560 -3.803 1.00 0.00 C ATOM 1025 CE LYS B 29 -16.389 -9.195 -2.506 1.00 0.00 C ATOM 1026 NZ LYS B 29 -17.444 -9.212 -1.461 1.00 0.00 N ATOM 0 H LYS B 29 -16.337 -4.634 -3.988 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.533 -4.737 -5.841 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.546 -7.099 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.907 -6.554 -5.638 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.464 -6.537 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -18.109 -7.056 -2.890 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.713 -9.133 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.078 -8.610 -4.548 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -16.060 -10.215 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -15.523 -8.647 -2.136 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.124 -9.785 -0.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.633 -8.240 -1.142 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.315 -9.623 -1.854 1.00 0.00 H new ATOM 1040 N LEU B 30 -19.131 -4.467 -2.682 1.00 0.00 N ATOM 1041 CA LEU B 30 -20.191 -4.205 -1.718 1.00 0.00 C ATOM 1042 C LEU B 30 -20.965 -2.945 -2.091 1.00 0.00 C ATOM 1043 O LEU B 30 -22.161 -2.837 -1.819 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.607 -4.058 -0.316 1.00 0.00 C ATOM 1045 CG LEU B 30 -19.125 -5.355 0.339 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -18.503 -5.064 1.695 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -20.272 -6.345 0.483 1.00 0.00 C ATOM 0 H LEU B 30 -18.190 -4.284 -2.333 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.878 -5.051 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.769 -3.362 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.362 -3.606 0.327 1.00 0.00 H new ATOM 0 HG LEU B 30 -18.367 -5.802 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -18.165 -5.996 2.148 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -17.653 -4.393 1.569 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -19.244 -4.594 2.342 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -19.907 -7.259 0.951 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -21.054 -5.908 1.103 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -20.677 -6.578 -0.502 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.281 -1.993 -2.714 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.914 -0.745 -3.119 1.00 0.00 C ATOM 1061 C VAL B 31 -21.609 -0.903 -4.472 1.00 0.00 C ATOM 1062 O VAL B 31 -22.604 -0.232 -4.751 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.896 0.420 -3.195 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.607 1.753 -3.386 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.026 0.460 -1.951 1.00 0.00 C ATOM 0 H VAL B 31 -19.291 -2.061 -2.949 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.655 -0.503 -2.357 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.255 0.246 -4.059 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.870 2.555 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.181 1.730 -4.312 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.279 1.930 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.319 1.286 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.655 0.601 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.479 -0.478 -1.859 1.00 0.00 H new ATOM 1075 N GLY B 32 -21.103 -1.806 -5.308 1.00 0.00 N ATOM 1076 CA GLY B 32 -21.687 -1.971 -6.624 1.00 0.00 C ATOM 1077 C GLY B 32 -21.119 -3.136 -7.417 1.00 0.00 C ATOM 1078 O GLY B 32 -21.839 -3.738 -8.210 1.00 0.00 O ATOM 0 H GLY B 32 -20.312 -2.416 -5.101 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -22.763 -2.109 -6.517 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -21.539 -1.053 -7.192 1.00 0.00 H new ATOM 1082 N GLU B 33 -19.844 -3.463 -7.192 1.00 0.00 N ATOM 1083 CA GLU B 33 -19.143 -4.471 -7.994 1.00 0.00 C ATOM 1084 C GLU B 33 -19.091 -4.057 -9.464 1.00 0.00 C ATOM 1085 O GLU B 33 -20.036 -4.365 -10.217 1.00 0.00 O ATOM 1086 CB GLU B 33 -19.798 -5.850 -7.850 1.00 0.00 C ATOM 1087 CG GLU B 33 -19.045 -6.961 -8.563 1.00 0.00 C ATOM 1088 CD GLU B 33 -19.726 -8.309 -8.433 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -19.465 -9.010 -7.435 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -20.520 -8.661 -9.329 1.00 0.00 O ATOM 1091 OXT GLU B 33 -18.098 -3.419 -9.865 1.00 0.00 O ATOM 0 H GLU B 33 -19.273 -3.043 -6.458 1.00 0.00 H new ATOM 0 HA GLU B 33 -18.122 -4.540 -7.618 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -19.875 -6.097 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -20.814 -5.803 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -18.948 -6.708 -9.619 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -18.036 -7.028 -8.157 1.00 0.00 H new TER 1098 GLU B 33