USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 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 Single : A 1 GLY N :NH3+ -120:sc= 0.111 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -166:sc= 0 (180deg=-0.219) USER MOD Single : A 4 LYS NZ :NH3+ 162:sc= -0.0849 (180deg=-0.471) USER MOD Single : A 5 GLN : amide:sc= -0.35 K(o=-0.35,f=-0.92) USER MOD Single : A 9 LYS NZ :NH3+ -171:sc=-0.00266 (180deg=-0.0916) USER MOD Single : A 15 SER OG : rot 24:sc= 1.22 USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= -0.0128 (180deg=-0.201) USER MOD Single : A 17 ASN : amide:sc= -2.02 K(o=-2,f=-5!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0346 X(o=-0.035,f=-0.48) USER MOD Single : A 22 ASN : amide:sc= 1.2 K(o=1.2,f=-0.13) USER MOD Single : A 28 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0244) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 1.26 (180deg=0.727) USER MOD Single : B 1 GLY N :NH3+ -120:sc= 0.11 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc=-0.00323 USER MOD Single : B 3 MET CE :methyl -167:sc= 0 (180deg=-0.21) USER MOD Single : B 4 LYS NZ :NH3+ 162:sc= -0.0911 (180deg=-0.443) USER MOD Single : B 5 GLN : amide:sc= -0.341 K(o=-0.34,f=-0.88) USER MOD Single : B 9 LYS NZ :NH3+ -171:sc=-0.00426 (180deg=-0.095) USER MOD Single : B 15 SER OG : rot 21:sc= 1.2 USER MOD Single : B 16 LYS NZ :NH3+ 168:sc= -0.0138 (180deg=-0.197) USER MOD Single : B 17 ASN : amide:sc= -1.77 K(o=-1.8,f=-4.7!) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.0467 X(o=-0.047,f=-0.52) USER MOD Single : B 22 ASN : amide:sc= 1.21 K(o=1.2,f=-0.13) USER MOD Single : B 28 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0322) USER MOD Single : B 29 LYS NZ :NH3+ 163:sc= 1.24 (180deg=0.779) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.895 -1.096 -4.575 1.00 0.00 N ATOM 2 CA GLY A 1 24.495 -1.102 -4.085 1.00 0.00 C ATOM 3 C GLY A 1 23.708 0.069 -4.630 1.00 0.00 C ATOM 4 O GLY A 1 24.255 0.910 -5.345 1.00 0.00 O ATOM 0 H1 GLY A 1 26.081 -1.971 -5.105 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.041 -0.276 -5.198 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.546 -1.036 -3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.011 -2.034 -4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.490 -1.068 -2.996 1.00 0.00 H new ATOM 10 N SER A 2 22.424 0.120 -4.316 1.00 0.00 N ATOM 11 CA SER A 2 21.569 1.207 -4.762 1.00 0.00 C ATOM 12 C SER A 2 20.526 1.531 -3.697 1.00 0.00 C ATOM 13 O SER A 2 19.329 1.610 -3.979 1.00 0.00 O ATOM 14 CB SER A 2 20.892 0.833 -6.081 1.00 0.00 C ATOM 15 OG SER A 2 21.860 0.499 -7.067 1.00 0.00 O ATOM 0 H SER A 2 21.949 -0.583 -3.750 1.00 0.00 H new ATOM 0 HA SER A 2 22.181 2.094 -4.924 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.220 -0.011 -5.924 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.282 1.666 -6.431 1.00 0.00 H new ATOM 0 HG SER A 2 21.407 0.261 -7.903 1.00 0.00 H new ATOM 21 N MET A 3 20.996 1.725 -2.469 1.00 0.00 N ATOM 22 CA MET A 3 20.118 2.016 -1.341 1.00 0.00 C ATOM 23 C MET A 3 19.377 3.334 -1.557 1.00 0.00 C ATOM 24 O MET A 3 18.241 3.498 -1.108 1.00 0.00 O ATOM 25 CB MET A 3 20.930 2.070 -0.044 1.00 0.00 C ATOM 26 CG MET A 3 20.086 2.277 1.203 1.00 0.00 C ATOM 27 SD MET A 3 21.074 2.282 2.711 1.00 0.00 S ATOM 28 CE MET A 3 19.804 2.538 3.948 1.00 0.00 C ATOM 0 H MET A 3 21.987 1.686 -2.229 1.00 0.00 H new ATOM 0 HA MET A 3 19.379 1.218 -1.264 1.00 0.00 H new ATOM 0 HB2 MET A 3 21.492 1.142 0.060 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.658 2.878 -0.116 1.00 0.00 H new ATOM 0 HG2 MET A 3 19.548 3.222 1.121 1.00 0.00 H new ATOM 0 HG3 MET A 3 19.337 1.488 1.266 1.00 0.00 H new ATOM 0 HE1 MET A 3 20.269 2.811 4.895 1.00 0.00 H new ATOM 0 HE2 MET A 3 19.138 3.339 3.626 1.00 0.00 H new ATOM 0 HE3 MET A 3 19.231 1.620 4.077 1.00 0.00 H new ATOM 38 N LYS A 4 20.024 4.259 -2.257 1.00 0.00 N ATOM 39 CA LYS A 4 19.425 5.551 -2.576 1.00 0.00 C ATOM 40 C LYS A 4 18.133 5.363 -3.367 1.00 0.00 C ATOM 41 O LYS A 4 17.106 5.969 -3.054 1.00 0.00 O ATOM 42 CB LYS A 4 20.412 6.404 -3.381 1.00 0.00 C ATOM 43 CG LYS A 4 19.838 7.733 -3.857 1.00 0.00 C ATOM 44 CD LYS A 4 19.527 8.673 -2.700 1.00 0.00 C ATOM 45 CE LYS A 4 20.795 9.193 -2.041 1.00 0.00 C ATOM 46 NZ LYS A 4 21.653 9.945 -2.998 1.00 0.00 N ATOM 0 H LYS A 4 20.971 4.137 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 4 19.190 6.063 -1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.292 6.599 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.747 5.833 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.547 8.212 -4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.928 7.550 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.935 9.513 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 4 18.920 8.151 -1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.530 9.841 -1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.359 8.356 -1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.331 10.531 -2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.171 9.274 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.057 10.556 -3.592 1.00 0.00 H new ATOM 60 N GLN A 5 18.190 4.504 -4.378 1.00 0.00 N ATOM 61 CA GLN A 5 17.034 4.228 -5.220 1.00 0.00 C ATOM 62 C GLN A 5 15.927 3.582 -4.400 1.00 0.00 C ATOM 63 O GLN A 5 14.749 3.908 -4.552 1.00 0.00 O ATOM 64 CB GLN A 5 17.426 3.310 -6.376 1.00 0.00 C ATOM 65 CG GLN A 5 18.530 3.871 -7.255 1.00 0.00 C ATOM 66 CD GLN A 5 18.921 2.925 -8.372 1.00 0.00 C ATOM 67 OE1 GLN A 5 18.097 2.158 -8.871 1.00 0.00 O ATOM 68 NE2 GLN A 5 20.184 2.961 -8.759 1.00 0.00 N ATOM 0 H GLN A 5 19.029 3.985 -4.635 1.00 0.00 H new ATOM 0 HA GLN A 5 16.670 5.172 -5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.748 2.350 -5.973 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.546 3.119 -6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.202 4.818 -7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.405 4.085 -6.641 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.834 3.612 -8.319 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.509 2.338 -9.498 1.00 0.00 H new ATOM 77 N LEU A 6 16.321 2.679 -3.510 1.00 0.00 N ATOM 78 CA LEU A 6 15.371 1.984 -2.655 1.00 0.00 C ATOM 79 C LEU A 6 14.665 2.951 -1.712 1.00 0.00 C ATOM 80 O LEU A 6 13.488 2.776 -1.418 1.00 0.00 O ATOM 81 CB LEU A 6 16.064 0.876 -1.854 1.00 0.00 C ATOM 82 CG LEU A 6 16.108 -0.504 -2.525 1.00 0.00 C ATOM 83 CD1 LEU A 6 14.700 -1.038 -2.742 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.862 -0.447 -3.844 1.00 0.00 C ATOM 0 H LEU A 6 17.294 2.412 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 6 14.621 1.529 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.086 1.190 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 6 15.558 0.777 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 6 16.640 -1.184 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 6 14.752 -2.017 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 6 14.193 -1.128 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 6 14.145 -0.352 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 6 16.878 -1.438 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 6 16.366 0.252 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 6 17.884 -0.114 -3.665 1.00 0.00 H new ATOM 96 N GLU A 7 15.380 3.977 -1.256 1.00 0.00 N ATOM 97 CA GLU A 7 14.788 4.999 -0.394 1.00 0.00 C ATOM 98 C GLU A 7 13.625 5.694 -1.097 1.00 0.00 C ATOM 99 O GLU A 7 12.594 5.977 -0.487 1.00 0.00 O ATOM 100 CB GLU A 7 15.838 6.035 0.013 1.00 0.00 C ATOM 101 CG GLU A 7 16.907 5.493 0.946 1.00 0.00 C ATOM 102 CD GLU A 7 16.344 5.039 2.279 1.00 0.00 C ATOM 103 OE1 GLU A 7 16.087 5.906 3.138 1.00 0.00 O ATOM 104 OE2 GLU A 7 16.164 3.819 2.463 1.00 0.00 O ATOM 0 H GLU A 7 16.367 4.123 -1.468 1.00 0.00 H new ATOM 0 HA GLU A 7 14.412 4.504 0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.317 6.425 -0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.338 6.874 0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.412 4.655 0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.659 6.263 1.117 1.00 0.00 H new ATOM 111 N ASP A 8 13.793 5.952 -2.385 1.00 0.00 N ATOM 112 CA ASP A 8 12.751 6.593 -3.179 1.00 0.00 C ATOM 113 C ASP A 8 11.626 5.612 -3.467 1.00 0.00 C ATOM 114 O ASP A 8 10.446 5.971 -3.440 1.00 0.00 O ATOM 115 CB ASP A 8 13.319 7.121 -4.498 1.00 0.00 C ATOM 116 CG ASP A 8 14.256 8.297 -4.308 1.00 0.00 C ATOM 117 OD1 ASP A 8 13.821 9.443 -4.541 1.00 0.00 O ATOM 118 OD2 ASP A 8 15.422 8.074 -3.924 1.00 0.00 O ATOM 0 H ASP A 8 14.641 5.728 -2.905 1.00 0.00 H new ATOM 0 HA ASP A 8 12.359 7.432 -2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.852 6.317 -5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.497 7.419 -5.148 1.00 0.00 H new ATOM 123 N LYS A 9 12.003 4.370 -3.727 1.00 0.00 N ATOM 124 CA LYS A 9 11.054 3.330 -4.097 1.00 0.00 C ATOM 125 C LYS A 9 10.185 2.927 -2.905 1.00 0.00 C ATOM 126 O LYS A 9 8.969 2.773 -3.035 1.00 0.00 O ATOM 127 CB LYS A 9 11.811 2.114 -4.635 1.00 0.00 C ATOM 128 CG LYS A 9 10.942 1.135 -5.410 1.00 0.00 C ATOM 129 CD LYS A 9 11.740 -0.074 -5.879 1.00 0.00 C ATOM 130 CE LYS A 9 12.890 0.321 -6.799 1.00 0.00 C ATOM 131 NZ LYS A 9 12.414 0.996 -8.036 1.00 0.00 N ATOM 0 H LYS A 9 12.972 4.054 -3.688 1.00 0.00 H new ATOM 0 HA LYS A 9 10.396 3.721 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.617 2.459 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.275 1.589 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.116 0.804 -4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.505 1.639 -6.272 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.135 -0.606 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.078 -0.764 -6.402 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.570 0.984 -6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.459 -0.569 -7.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.209 1.109 -8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.672 0.420 -8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.029 1.931 -7.795 1.00 0.00 H new ATOM 145 N VAL A 10 10.809 2.771 -1.741 1.00 0.00 N ATOM 146 CA VAL A 10 10.086 2.378 -0.540 1.00 0.00 C ATOM 147 C VAL A 10 9.166 3.504 -0.071 1.00 0.00 C ATOM 148 O VAL A 10 8.076 3.246 0.421 1.00 0.00 O ATOM 149 CB VAL A 10 11.044 1.955 0.603 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.816 3.140 1.162 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.281 1.243 1.708 1.00 0.00 C ATOM 0 H VAL A 10 11.810 2.911 -1.606 1.00 0.00 H new ATOM 0 HA VAL A 10 9.480 1.510 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 10 11.771 1.262 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.476 2.800 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.410 3.594 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.116 3.876 1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.972 0.955 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.522 1.911 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.801 0.352 1.303 1.00 0.00 H new ATOM 161 N GLU A 11 9.600 4.752 -0.245 1.00 0.00 N ATOM 162 CA GLU A 11 8.758 5.898 0.083 1.00 0.00 C ATOM 163 C GLU A 11 7.576 5.960 -0.875 1.00 0.00 C ATOM 164 O GLU A 11 6.454 6.282 -0.479 1.00 0.00 O ATOM 165 CB GLU A 11 9.560 7.202 0.013 1.00 0.00 C ATOM 166 CG GLU A 11 8.733 8.438 0.333 1.00 0.00 C ATOM 167 CD GLU A 11 9.532 9.724 0.243 1.00 0.00 C ATOM 168 OE1 GLU A 11 9.652 10.270 -0.873 1.00 0.00 O ATOM 169 OE2 GLU A 11 10.030 10.189 1.290 1.00 0.00 O ATOM 0 H GLU A 11 10.522 4.992 -0.608 1.00 0.00 H new ATOM 0 HA GLU A 11 8.391 5.777 1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.396 7.143 0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.984 7.306 -0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.889 8.492 -0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.320 8.342 1.337 1.00 0.00 H new ATOM 176 N GLU A 12 7.843 5.652 -2.138 1.00 0.00 N ATOM 177 CA GLU A 12 6.795 5.586 -3.146 1.00 0.00 C ATOM 178 C GLU A 12 5.717 4.582 -2.733 1.00 0.00 C ATOM 179 O GLU A 12 4.535 4.904 -2.735 1.00 0.00 O ATOM 180 CB GLU A 12 7.382 5.200 -4.507 1.00 0.00 C ATOM 181 CG GLU A 12 6.404 5.349 -5.663 1.00 0.00 C ATOM 182 CD GLU A 12 6.012 6.794 -5.916 1.00 0.00 C ATOM 183 OE1 GLU A 12 6.747 7.487 -6.647 1.00 0.00 O ATOM 184 OE2 GLU A 12 4.971 7.231 -5.381 1.00 0.00 O ATOM 0 H GLU A 12 8.778 5.444 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 12 6.339 6.573 -3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.258 5.818 -4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.725 4.166 -4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.850 4.934 -6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.508 4.765 -5.453 1.00 0.00 H new ATOM 191 N LEU A 13 6.124 3.368 -2.387 1.00 0.00 N ATOM 192 CA LEU A 13 5.183 2.348 -1.934 1.00 0.00 C ATOM 193 C LEU A 13 4.621 2.628 -0.545 1.00 0.00 C ATOM 194 O LEU A 13 3.481 2.265 -0.259 1.00 0.00 O ATOM 195 CB LEU A 13 5.837 0.979 -2.000 1.00 0.00 C ATOM 196 CG LEU A 13 5.732 0.348 -3.377 1.00 0.00 C ATOM 197 CD1 LEU A 13 6.890 -0.604 -3.629 1.00 0.00 C ATOM 198 CD2 LEU A 13 4.404 -0.380 -3.523 1.00 0.00 C ATOM 0 H LEU A 13 7.097 3.064 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 13 4.327 2.371 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.888 1.069 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.370 0.322 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 13 5.780 1.143 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.791 -1.043 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.831 -0.057 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.880 -1.396 -2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.342 -0.828 -4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.333 -1.162 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.585 0.327 -3.392 1.00 0.00 H new ATOM 210 N LEU A 14 5.408 3.266 0.313 1.00 0.00 N ATOM 211 CA LEU A 14 4.913 3.723 1.601 1.00 0.00 C ATOM 212 C LEU A 14 3.713 4.643 1.381 1.00 0.00 C ATOM 213 O LEU A 14 2.684 4.514 2.046 1.00 0.00 O ATOM 214 CB LEU A 14 6.055 4.420 2.376 1.00 0.00 C ATOM 215 CG LEU A 14 5.735 4.981 3.770 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.006 6.311 3.678 1.00 0.00 C ATOM 217 CD2 LEU A 14 4.936 3.980 4.595 1.00 0.00 C ATOM 0 H LEU A 14 6.390 3.477 0.138 1.00 0.00 H new ATOM 0 HA LEU A 14 4.578 2.880 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.873 3.707 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.425 5.241 1.761 1.00 0.00 H new ATOM 0 HG LEU A 14 6.683 5.156 4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.795 6.680 4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.630 7.032 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.070 6.176 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.724 4.404 5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.998 3.756 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.513 3.063 4.713 1.00 0.00 H new ATOM 229 N SER A 15 3.836 5.539 0.412 1.00 0.00 N ATOM 230 CA SER A 15 2.749 6.437 0.079 1.00 0.00 C ATOM 231 C SER A 15 1.665 5.724 -0.738 1.00 0.00 C ATOM 232 O SER A 15 0.486 6.044 -0.596 1.00 0.00 O ATOM 233 CB SER A 15 3.272 7.685 -0.645 1.00 0.00 C ATOM 234 OG SER A 15 4.226 7.355 -1.640 1.00 0.00 O ATOM 0 H SER A 15 4.676 5.660 -0.153 1.00 0.00 H new ATOM 0 HA SER A 15 2.287 6.764 1.011 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.438 8.216 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.722 8.364 0.079 1.00 0.00 H new ATOM 0 HG SER A 15 4.090 6.429 -1.930 1.00 0.00 H new ATOM 240 N LYS A 16 2.043 4.756 -1.589 1.00 0.00 N ATOM 241 CA LYS A 16 1.041 3.952 -2.295 1.00 0.00 C ATOM 242 C LYS A 16 0.138 3.224 -1.300 1.00 0.00 C ATOM 243 O LYS A 16 -1.085 3.226 -1.448 1.00 0.00 O ATOM 244 CB LYS A 16 1.698 2.940 -3.236 1.00 0.00 C ATOM 245 CG LYS A 16 2.374 3.577 -4.440 1.00 0.00 C ATOM 246 CD LYS A 16 3.049 2.540 -5.327 1.00 0.00 C ATOM 247 CE LYS A 16 2.051 1.551 -5.910 1.00 0.00 C ATOM 248 NZ LYS A 16 1.014 2.225 -6.736 1.00 0.00 N ATOM 0 H LYS A 16 3.012 4.517 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 16 0.437 4.634 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.436 2.364 -2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.942 2.237 -3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.635 4.127 -5.022 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.114 4.301 -4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.575 3.044 -6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.798 2.000 -4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.581 0.819 -6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.569 1.003 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.482 1.512 -7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.363 2.748 -6.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.471 2.887 -7.395 1.00 0.00 H new ATOM 262 N ASN A 17 0.754 2.619 -0.286 1.00 0.00 N ATOM 263 CA ASN A 17 0.026 1.964 0.796 1.00 0.00 C ATOM 264 C ASN A 17 -1.009 2.906 1.401 1.00 0.00 C ATOM 265 O ASN A 17 -2.174 2.550 1.546 1.00 0.00 O ATOM 266 CB ASN A 17 1.015 1.498 1.873 1.00 0.00 C ATOM 267 CG ASN A 17 0.338 0.935 3.111 1.00 0.00 C ATOM 268 OD1 ASN A 17 0.033 -0.253 3.181 1.00 0.00 O ATOM 269 ND2 ASN A 17 0.124 1.783 4.109 1.00 0.00 N ATOM 0 H ASN A 17 1.769 2.570 -0.192 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.500 1.099 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.671 0.737 1.449 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.647 2.338 2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.308 1.455 4.973 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.392 2.763 4.012 1.00 0.00 H new ATOM 276 N TYR A 18 -0.586 4.120 1.731 1.00 0.00 N ATOM 277 CA TYR A 18 -1.488 5.098 2.324 1.00 0.00 C ATOM 278 C TYR A 18 -2.560 5.549 1.338 1.00 0.00 C ATOM 279 O TYR A 18 -3.719 5.712 1.717 1.00 0.00 O ATOM 280 CB TYR A 18 -0.715 6.296 2.870 1.00 0.00 C ATOM 281 CG TYR A 18 -0.142 6.048 4.245 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.931 6.201 5.378 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.176 5.648 4.413 1.00 0.00 C ATOM 284 CE1 TYR A 18 -0.421 5.965 6.638 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.694 5.411 5.672 1.00 0.00 C ATOM 286 CZ TYR A 18 0.892 5.570 6.780 1.00 0.00 C ATOM 287 OH TYR A 18 1.402 5.327 8.035 1.00 0.00 O ATOM 0 H TYR A 18 0.370 4.449 1.599 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.993 4.609 3.157 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.095 6.543 2.184 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.376 7.162 2.908 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.960 6.510 5.271 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.807 5.520 3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.047 6.089 7.509 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.723 5.103 5.786 1.00 0.00 H new ATOM 0 HH TYR A 18 2.341 5.056 7.960 1.00 0.00 H new ATOM 297 N HIS A 19 -2.183 5.735 0.076 1.00 0.00 N ATOM 298 CA HIS A 19 -3.145 6.116 -0.959 1.00 0.00 C ATOM 299 C HIS A 19 -4.267 5.091 -1.049 1.00 0.00 C ATOM 300 O HIS A 19 -5.444 5.443 -1.149 1.00 0.00 O ATOM 301 CB HIS A 19 -2.465 6.265 -2.326 1.00 0.00 C ATOM 302 CG HIS A 19 -1.790 7.588 -2.529 1.00 0.00 C ATOM 303 ND1 HIS A 19 -0.438 7.722 -2.762 1.00 0.00 N ATOM 304 CD2 HIS A 19 -2.297 8.842 -2.556 1.00 0.00 C ATOM 305 CE1 HIS A 19 -0.145 8.998 -2.920 1.00 0.00 C ATOM 306 NE2 HIS A 19 -1.254 9.699 -2.801 1.00 0.00 N ATOM 0 H HIS A 19 -1.224 5.629 -0.255 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.565 7.082 -0.678 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.728 5.471 -2.442 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.211 6.125 -3.109 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.331 9.117 -2.411 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.838 9.400 -3.114 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.326 10.714 -2.878 1.00 0.00 H new ATOM 315 N LEU A 20 -3.898 3.821 -0.985 1.00 0.00 N ATOM 316 CA LEU A 20 -4.869 2.742 -1.066 1.00 0.00 C ATOM 317 C LEU A 20 -5.592 2.556 0.257 1.00 0.00 C ATOM 318 O LEU A 20 -6.775 2.233 0.276 1.00 0.00 O ATOM 319 CB LEU A 20 -4.196 1.442 -1.507 1.00 0.00 C ATOM 320 CG LEU A 20 -4.093 1.252 -3.025 1.00 0.00 C ATOM 321 CD1 LEU A 20 -3.532 2.496 -3.691 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.230 0.046 -3.347 1.00 0.00 C ATOM 0 H LEU A 20 -2.932 3.512 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.612 3.013 -1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.193 1.407 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.750 0.602 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.096 1.081 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.469 2.335 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.186 3.344 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.537 2.703 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.166 -0.077 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.230 0.194 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.673 -0.847 -2.906 1.00 0.00 H new ATOM 334 N GLU A 21 -4.889 2.780 1.362 1.00 0.00 N ATOM 335 CA GLU A 21 -5.510 2.731 2.680 1.00 0.00 C ATOM 336 C GLU A 21 -6.624 3.767 2.753 1.00 0.00 C ATOM 337 O GLU A 21 -7.692 3.514 3.306 1.00 0.00 O ATOM 338 CB GLU A 21 -4.462 2.978 3.773 1.00 0.00 C ATOM 339 CG GLU A 21 -4.884 2.513 5.161 1.00 0.00 C ATOM 340 CD GLU A 21 -5.633 3.567 5.955 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.967 4.440 6.546 1.00 0.00 O ATOM 342 OE2 GLU A 21 -6.880 3.510 5.999 1.00 0.00 O ATOM 0 H GLU A 21 -3.892 2.997 1.371 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.937 1.741 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.539 2.469 3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.239 4.044 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.514 1.629 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.997 2.212 5.719 1.00 0.00 H new ATOM 349 N ASN A 22 -6.364 4.928 2.166 1.00 0.00 N ATOM 350 CA ASN A 22 -7.367 5.982 2.064 1.00 0.00 C ATOM 351 C ASN A 22 -8.554 5.523 1.221 1.00 0.00 C ATOM 352 O ASN A 22 -9.695 5.899 1.486 1.00 0.00 O ATOM 353 CB ASN A 22 -6.765 7.257 1.463 1.00 0.00 C ATOM 354 CG ASN A 22 -6.103 8.143 2.504 1.00 0.00 C ATOM 355 OD1 ASN A 22 -6.750 9.002 3.100 1.00 0.00 O ATOM 356 ND2 ASN A 22 -4.814 7.948 2.729 1.00 0.00 N ATOM 0 H ASN A 22 -5.463 5.165 1.751 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.716 6.203 3.073 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.031 6.984 0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.550 7.821 0.959 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.324 8.520 3.417 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.310 7.225 2.215 1.00 0.00 H new ATOM 363 N GLU A 23 -8.285 4.691 0.218 1.00 0.00 N ATOM 364 CA GLU A 23 -9.338 4.195 -0.659 1.00 0.00 C ATOM 365 C GLU A 23 -10.176 3.129 0.039 1.00 0.00 C ATOM 366 O GLU A 23 -11.379 3.029 -0.192 1.00 0.00 O ATOM 367 CB GLU A 23 -8.754 3.639 -1.958 1.00 0.00 C ATOM 368 CG GLU A 23 -8.129 4.699 -2.847 1.00 0.00 C ATOM 369 CD GLU A 23 -7.647 4.140 -4.172 1.00 0.00 C ATOM 370 OE1 GLU A 23 -8.449 4.103 -5.127 1.00 0.00 O ATOM 371 OE2 GLU A 23 -6.468 3.740 -4.253 1.00 0.00 O ATOM 0 H GLU A 23 -7.351 4.348 -0.006 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.985 5.037 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.001 2.889 -1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.543 3.131 -2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.858 5.487 -3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.290 5.158 -2.324 1.00 0.00 H new ATOM 378 N VAL A 24 -9.544 2.341 0.899 1.00 0.00 N ATOM 379 CA VAL A 24 -10.272 1.334 1.657 1.00 0.00 C ATOM 380 C VAL A 24 -11.176 2.010 2.681 1.00 0.00 C ATOM 381 O VAL A 24 -12.311 1.588 2.902 1.00 0.00 O ATOM 382 CB VAL A 24 -9.333 0.346 2.391 1.00 0.00 C ATOM 383 CG1 VAL A 24 -10.129 -0.805 2.995 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.261 -0.188 1.457 1.00 0.00 C ATOM 0 H VAL A 24 -8.542 2.379 1.087 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.861 0.763 0.939 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.841 0.891 3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.450 -1.488 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.853 -0.412 3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.653 -1.340 2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.617 -0.879 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.732 -0.709 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.664 0.641 1.076 1.00 0.00 H new ATOM 394 N ALA A 25 -10.672 3.088 3.274 1.00 0.00 N ATOM 395 CA ALA A 25 -11.390 3.787 4.335 1.00 0.00 C ATOM 396 C ALA A 25 -12.693 4.400 3.829 1.00 0.00 C ATOM 397 O ALA A 25 -13.722 4.329 4.505 1.00 0.00 O ATOM 398 CB ALA A 25 -10.512 4.862 4.956 1.00 0.00 C ATOM 0 H ALA A 25 -9.768 3.497 3.038 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.643 3.049 5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.065 5.372 5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.618 4.403 5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.223 5.583 4.191 1.00 0.00 H new ATOM 404 N ARG A 26 -12.653 4.997 2.640 1.00 0.00 N ATOM 405 CA ARG A 26 -13.827 5.648 2.080 1.00 0.00 C ATOM 406 C ARG A 26 -14.926 4.639 1.755 1.00 0.00 C ATOM 407 O ARG A 26 -16.087 4.843 2.113 1.00 0.00 O ATOM 408 CB ARG A 26 -13.460 6.478 0.840 1.00 0.00 C ATOM 409 CG ARG A 26 -12.522 5.790 -0.146 1.00 0.00 C ATOM 410 CD ARG A 26 -12.157 6.712 -1.298 1.00 0.00 C ATOM 411 NE ARG A 26 -13.319 7.043 -2.122 1.00 0.00 N ATOM 412 CZ ARG A 26 -13.530 8.240 -2.671 1.00 0.00 C ATOM 413 NH1 ARG A 26 -12.667 9.232 -2.472 1.00 0.00 N ATOM 414 NH2 ARG A 26 -14.607 8.445 -3.418 1.00 0.00 N ATOM 0 H ARG A 26 -11.822 5.042 2.050 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.217 6.327 2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.378 6.746 0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.997 7.408 1.169 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.616 5.474 0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.997 4.889 -0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.719 7.629 -0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.397 6.236 -1.917 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.012 6.313 -2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.838 9.080 -1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.834 10.145 -2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.273 7.688 -3.572 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.769 9.360 -3.838 1.00 0.00 H new ATOM 428 N LEU A 27 -14.558 3.545 1.104 1.00 0.00 N ATOM 429 CA LEU A 27 -15.528 2.521 0.729 1.00 0.00 C ATOM 430 C LEU A 27 -16.064 1.793 1.951 1.00 0.00 C ATOM 431 O LEU A 27 -17.242 1.446 2.002 1.00 0.00 O ATOM 432 CB LEU A 27 -14.903 1.515 -0.218 1.00 0.00 C ATOM 433 CG LEU A 27 -14.396 2.080 -1.532 1.00 0.00 C ATOM 434 CD1 LEU A 27 -13.340 1.170 -2.114 1.00 0.00 C ATOM 435 CD2 LEU A 27 -15.545 2.251 -2.511 1.00 0.00 C ATOM 0 H LEU A 27 -13.598 3.342 0.824 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.356 3.025 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.072 1.029 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.639 0.741 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.952 3.058 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.982 1.584 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.507 1.086 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.767 0.183 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.166 2.657 -3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.012 1.284 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.282 2.935 -2.091 1.00 0.00 H new ATOM 447 N LYS A 28 -15.194 1.558 2.927 1.00 0.00 N ATOM 448 CA LYS A 28 -15.585 0.901 4.170 1.00 0.00 C ATOM 449 C LYS A 28 -16.786 1.602 4.803 1.00 0.00 C ATOM 450 O LYS A 28 -17.678 0.952 5.349 1.00 0.00 O ATOM 451 CB LYS A 28 -14.410 0.887 5.150 1.00 0.00 C ATOM 452 CG LYS A 28 -14.564 -0.113 6.286 1.00 0.00 C ATOM 453 CD LYS A 28 -14.488 -1.547 5.782 1.00 0.00 C ATOM 454 CE LYS A 28 -14.531 -2.551 6.925 1.00 0.00 C ATOM 455 NZ LYS A 28 -15.839 -2.540 7.633 1.00 0.00 N ATOM 0 H LYS A 28 -14.208 1.814 2.881 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.870 -0.125 3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.496 0.661 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.290 1.885 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.783 0.055 7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.519 0.048 6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.317 -1.737 5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.569 -1.684 5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.339 -3.551 6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.734 -2.326 7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.841 -3.274 8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.989 -1.609 8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.603 -2.730 6.954 1.00 0.00 H new ATOM 469 N LYS A 29 -16.822 2.926 4.708 1.00 0.00 N ATOM 470 CA LYS A 29 -17.916 3.695 5.287 1.00 0.00 C ATOM 471 C LYS A 29 -19.045 3.896 4.277 1.00 0.00 C ATOM 472 O LYS A 29 -20.123 4.358 4.627 1.00 0.00 O ATOM 473 CB LYS A 29 -17.405 5.037 5.808 1.00 0.00 C ATOM 474 CG LYS A 29 -18.468 5.886 6.486 1.00 0.00 C ATOM 475 CD LYS A 29 -17.897 7.193 7.003 1.00 0.00 C ATOM 476 CE LYS A 29 -18.935 7.981 7.786 1.00 0.00 C ATOM 477 NZ LYS A 29 -19.399 7.249 8.997 1.00 0.00 N ATOM 0 H LYS A 29 -16.111 3.486 4.238 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.322 3.130 6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.595 4.855 6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.982 5.600 4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.272 6.094 5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -18.906 5.328 7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.036 6.989 7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.539 7.792 6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.512 8.941 8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -19.789 8.194 7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -19.871 7.913 9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -20.068 6.504 8.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -18.583 6.819 9.477 1.00 0.00 H new ATOM 491 N LEU A 30 -18.812 3.540 3.031 1.00 0.00 N ATOM 492 CA LEU A 30 -19.877 3.572 2.040 1.00 0.00 C ATOM 493 C LEU A 30 -20.712 2.303 2.144 1.00 0.00 C ATOM 494 O LEU A 30 -21.918 2.314 1.889 1.00 0.00 O ATOM 495 CB LEU A 30 -19.317 3.729 0.628 1.00 0.00 C ATOM 496 CG LEU A 30 -18.616 5.061 0.351 1.00 0.00 C ATOM 497 CD1 LEU A 30 -18.059 5.088 -1.062 1.00 0.00 C ATOM 498 CD2 LEU A 30 -19.573 6.224 0.563 1.00 0.00 C ATOM 0 H LEU A 30 -17.907 3.228 2.679 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.509 4.437 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.611 2.919 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.133 3.611 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.788 5.162 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.564 6.043 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.340 4.278 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.873 4.962 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -19.056 7.162 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.422 6.125 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.928 6.220 1.594 1.00 0.00 H new ATOM 510 N VAL A 31 -20.061 1.215 2.532 1.00 0.00 N ATOM 511 CA VAL A 31 -20.750 -0.049 2.759 1.00 0.00 C ATOM 512 C VAL A 31 -21.228 -0.133 4.209 1.00 0.00 C ATOM 513 O VAL A 31 -22.214 -0.803 4.515 1.00 0.00 O ATOM 514 CB VAL A 31 -19.834 -1.261 2.453 1.00 0.00 C ATOM 515 CG1 VAL A 31 -20.640 -2.551 2.392 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.065 -1.048 1.158 1.00 0.00 C ATOM 0 H VAL A 31 -19.055 1.182 2.697 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.604 -0.083 2.083 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.113 -1.349 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -19.974 -3.386 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -21.132 -2.718 3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -21.392 -2.474 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -18.430 -1.912 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.768 -0.924 0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.446 -0.155 1.245 1.00 0.00 H new ATOM 526 N GLY A 32 -20.534 0.574 5.093 1.00 0.00 N ATOM 527 CA GLY A 32 -20.850 0.515 6.507 1.00 0.00 C ATOM 528 C GLY A 32 -21.684 1.690 6.978 1.00 0.00 C ATOM 529 O GLY A 32 -22.663 1.499 7.701 1.00 0.00 O ATOM 0 H GLY A 32 -19.756 1.189 4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.386 -0.411 6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -19.923 0.482 7.080 1.00 0.00 H new ATOM 533 N GLU A 33 -21.293 2.898 6.561 1.00 0.00 N ATOM 534 CA GLU A 33 -21.971 4.137 6.954 1.00 0.00 C ATOM 535 C GLU A 33 -21.692 4.451 8.421 1.00 0.00 C ATOM 536 O GLU A 33 -20.563 4.885 8.725 1.00 0.00 O ATOM 537 CB GLU A 33 -23.484 4.064 6.695 1.00 0.00 C ATOM 538 CG GLU A 33 -23.860 3.885 5.230 1.00 0.00 C ATOM 539 CD GLU A 33 -23.467 5.071 4.367 1.00 0.00 C ATOM 540 OE1 GLU A 33 -22.547 4.922 3.540 1.00 0.00 O ATOM 541 OE2 GLU A 33 -24.086 6.144 4.517 1.00 0.00 O ATOM 542 OXT GLU A 33 -22.594 4.267 9.264 1.00 0.00 O ATOM 0 H GLU A 33 -20.497 3.045 5.941 1.00 0.00 H new ATOM 0 HA GLU A 33 -21.573 4.943 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -23.900 3.236 7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -23.949 4.976 7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -23.378 2.987 4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -24.936 3.728 5.153 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 25.910 0.905 3.850 1.00 0.00 N ATOM 551 CA GLY B 1 24.510 0.912 3.370 1.00 0.00 C ATOM 552 C GLY B 1 23.723 -0.255 3.923 1.00 0.00 C ATOM 553 O GLY B 1 24.269 -1.092 4.642 1.00 0.00 O ATOM 0 H1 GLY B 1 26.101 1.782 4.376 1.00 0.00 H new ATOM 0 H2 GLY B 1 26.059 0.087 4.475 1.00 0.00 H new ATOM 0 H3 GLY B 1 26.555 0.841 3.037 1.00 0.00 H new ATOM 0 HA2 GLY B 1 24.030 1.846 3.662 1.00 0.00 H new ATOM 0 HA3 GLY B 1 24.499 0.875 2.281 1.00 0.00 H new ATOM 559 N SER B 2 22.441 -0.309 3.605 1.00 0.00 N ATOM 560 CA SER B 2 21.583 -1.391 4.058 1.00 0.00 C ATOM 561 C SER B 2 20.534 -1.716 3.000 1.00 0.00 C ATOM 562 O SER B 2 19.339 -1.787 3.286 1.00 0.00 O ATOM 563 CB SER B 2 20.914 -1.008 5.379 1.00 0.00 C ATOM 564 OG SER B 2 21.887 -0.675 6.355 1.00 0.00 O ATOM 0 H SER B 2 21.968 0.389 3.031 1.00 0.00 H new ATOM 0 HA SER B 2 22.192 -2.281 4.219 1.00 0.00 H new ATOM 0 HB2 SER B 2 20.245 -0.162 5.222 1.00 0.00 H new ATOM 0 HB3 SER B 2 20.302 -1.836 5.736 1.00 0.00 H new ATOM 0 HG SER B 2 21.440 -0.431 7.193 1.00 0.00 H new ATOM 570 N MET B 3 20.999 -1.921 1.772 1.00 0.00 N ATOM 571 CA MET B 3 20.115 -2.209 0.648 1.00 0.00 C ATOM 572 C MET B 3 19.369 -3.522 0.871 1.00 0.00 C ATOM 573 O MET B 3 18.230 -3.682 0.431 1.00 0.00 O ATOM 574 CB MET B 3 20.920 -2.270 -0.653 1.00 0.00 C ATOM 575 CG MET B 3 20.070 -2.478 -1.896 1.00 0.00 C ATOM 576 SD MET B 3 21.051 -2.489 -3.410 1.00 0.00 S ATOM 577 CE MET B 3 19.774 -2.750 -4.639 1.00 0.00 C ATOM 0 H MET B 3 21.989 -1.893 1.529 1.00 0.00 H new ATOM 0 HA MET B 3 19.381 -1.407 0.572 1.00 0.00 H new ATOM 0 HB2 MET B 3 21.485 -1.344 -0.762 1.00 0.00 H new ATOM 0 HB3 MET B 3 21.646 -3.080 -0.582 1.00 0.00 H new ATOM 0 HG2 MET B 3 19.531 -3.421 -1.810 1.00 0.00 H new ATOM 0 HG3 MET B 3 19.322 -1.687 -1.957 1.00 0.00 H new ATOM 0 HE1 MET B 3 20.234 -3.010 -5.592 1.00 0.00 H new ATOM 0 HE2 MET B 3 19.121 -3.561 -4.318 1.00 0.00 H new ATOM 0 HE3 MET B 3 19.189 -1.838 -4.755 1.00 0.00 H new ATOM 587 N LYS B 4 20.016 -4.449 1.571 1.00 0.00 N ATOM 588 CA LYS B 4 19.415 -5.735 1.900 1.00 0.00 C ATOM 589 C LYS B 4 18.128 -5.540 2.698 1.00 0.00 C ATOM 590 O LYS B 4 17.097 -6.143 2.394 1.00 0.00 O ATOM 591 CB LYS B 4 20.404 -6.587 2.702 1.00 0.00 C ATOM 592 CG LYS B 4 19.831 -7.911 3.188 1.00 0.00 C ATOM 593 CD LYS B 4 19.510 -8.858 2.038 1.00 0.00 C ATOM 594 CE LYS B 4 20.772 -9.390 1.375 1.00 0.00 C ATOM 595 NZ LYS B 4 21.632 -10.134 2.334 1.00 0.00 N ATOM 0 H LYS B 4 20.966 -4.330 1.924 1.00 0.00 H new ATOM 0 HA LYS B 4 19.171 -6.250 0.971 1.00 0.00 H new ATOM 0 HB2 LYS B 4 21.279 -6.787 2.084 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.746 -6.013 3.563 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.544 -8.388 3.861 1.00 0.00 H new ATOM 0 HG3 LYS B 4 18.925 -7.723 3.765 1.00 0.00 H new ATOM 0 HD2 LYS B 4 18.915 -9.692 2.410 1.00 0.00 H new ATOM 0 HD3 LYS B 4 18.902 -8.338 1.298 1.00 0.00 H new ATOM 0 HE2 LYS B 4 20.499 -10.046 0.548 1.00 0.00 H new ATOM 0 HE3 LYS B 4 21.336 -8.560 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 22.305 -10.728 1.808 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 22.156 -9.459 2.926 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 21.037 -10.736 2.939 1.00 0.00 H new ATOM 609 N GLN B 5 18.196 -4.680 3.706 1.00 0.00 N ATOM 610 CA GLN B 5 17.045 -4.397 4.553 1.00 0.00 C ATOM 611 C GLN B 5 15.935 -3.752 3.735 1.00 0.00 C ATOM 612 O GLN B 5 14.758 -4.074 3.896 1.00 0.00 O ATOM 613 CB GLN B 5 17.444 -3.474 5.704 1.00 0.00 C ATOM 614 CG GLN B 5 18.550 -4.034 6.581 1.00 0.00 C ATOM 615 CD GLN B 5 18.948 -3.082 7.692 1.00 0.00 C ATOM 616 OE1 GLN B 5 18.129 -2.307 8.186 1.00 0.00 O ATOM 617 NE2 GLN B 5 20.214 -3.121 8.080 1.00 0.00 N ATOM 0 H GLN B 5 19.040 -4.165 3.957 1.00 0.00 H new ATOM 0 HA GLN B 5 16.681 -5.338 4.966 1.00 0.00 H new ATOM 0 HB2 GLN B 5 17.767 -2.517 5.295 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.567 -3.278 6.321 1.00 0.00 H new ATOM 0 HG2 GLN B 5 18.222 -4.978 7.016 1.00 0.00 H new ATOM 0 HG3 GLN B 5 19.422 -4.253 5.965 1.00 0.00 H new ATOM 0 HE21 GLN B 5 20.861 -3.779 7.645 1.00 0.00 H new ATOM 0 HE22 GLN B 5 20.542 -2.493 8.814 1.00 0.00 H new ATOM 626 N LEU B 6 16.325 -2.852 2.840 1.00 0.00 N ATOM 627 CA LEU B 6 15.372 -2.160 1.986 1.00 0.00 C ATOM 628 C LEU B 6 14.658 -3.131 1.053 1.00 0.00 C ATOM 629 O LEU B 6 13.480 -2.957 0.767 1.00 0.00 O ATOM 630 CB LEU B 6 16.062 -1.057 1.177 1.00 0.00 C ATOM 631 CG LEU B 6 16.112 0.325 1.843 1.00 0.00 C ATOM 632 CD1 LEU B 6 14.706 0.862 2.066 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.873 0.274 3.160 1.00 0.00 C ATOM 0 H LEU B 6 17.298 -2.585 2.688 1.00 0.00 H new ATOM 0 HA LEU B 6 14.626 -1.700 2.634 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.083 -1.374 0.963 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.550 -0.960 0.219 1.00 0.00 H new ATOM 0 HG LEU B 6 16.643 1.000 1.171 1.00 0.00 H new ATOM 0 HD11 LEU B 6 14.762 1.842 2.539 1.00 0.00 H new ATOM 0 HD12 LEU B 6 14.194 0.950 1.108 1.00 0.00 H new ATOM 0 HD13 LEU B 6 14.154 0.179 2.711 1.00 0.00 H new ATOM 0 HD21 LEU B 6 16.892 1.267 3.608 1.00 0.00 H new ATOM 0 HD22 LEU B 6 16.379 -0.421 3.839 1.00 0.00 H new ATOM 0 HD23 LEU B 6 17.894 -0.061 2.977 1.00 0.00 H new ATOM 645 N GLU B 7 15.369 -4.159 0.594 1.00 0.00 N ATOM 646 CA GLU B 7 14.771 -5.184 -0.260 1.00 0.00 C ATOM 647 C GLU B 7 13.608 -5.871 0.451 1.00 0.00 C ATOM 648 O GLU B 7 12.572 -6.153 -0.154 1.00 0.00 O ATOM 649 CB GLU B 7 15.817 -6.224 -0.668 1.00 0.00 C ATOM 650 CG GLU B 7 16.881 -5.686 -1.611 1.00 0.00 C ATOM 651 CD GLU B 7 16.308 -5.245 -2.944 1.00 0.00 C ATOM 652 OE1 GLU B 7 16.049 -6.121 -3.795 1.00 0.00 O ATOM 653 OE2 GLU B 7 16.125 -4.026 -3.138 1.00 0.00 O ATOM 0 H GLU B 7 16.358 -4.305 0.798 1.00 0.00 H new ATOM 0 HA GLU B 7 14.393 -4.693 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.301 -6.610 0.229 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.313 -7.065 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU B 7 17.386 -4.843 -1.140 1.00 0.00 H new ATOM 0 HG3 GLU B 7 17.634 -6.455 -1.780 1.00 0.00 H new ATOM 660 N ASP B 8 13.781 -6.123 1.741 1.00 0.00 N ATOM 661 CA ASP B 8 12.741 -6.760 2.541 1.00 0.00 C ATOM 662 C ASP B 8 11.620 -5.776 2.834 1.00 0.00 C ATOM 663 O ASP B 8 10.441 -6.133 2.830 1.00 0.00 O ATOM 664 CB ASP B 8 13.315 -7.289 3.859 1.00 0.00 C ATOM 665 CG ASP B 8 14.245 -8.468 3.662 1.00 0.00 C ATOM 666 OD1 ASP B 8 13.812 -9.611 3.911 1.00 0.00 O ATOM 667 OD2 ASP B 8 15.404 -8.247 3.261 1.00 0.00 O ATOM 0 H ASP B 8 14.631 -5.897 2.257 1.00 0.00 H new ATOM 0 HA ASP B 8 12.344 -7.598 1.968 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.854 -6.487 4.363 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.496 -7.584 4.515 1.00 0.00 H new ATOM 672 N LYS B 9 12.002 -4.532 3.078 1.00 0.00 N ATOM 673 CA LYS B 9 11.059 -3.488 3.448 1.00 0.00 C ATOM 674 C LYS B 9 10.184 -3.090 2.261 1.00 0.00 C ATOM 675 O LYS B 9 8.968 -2.936 2.398 1.00 0.00 O ATOM 676 CB LYS B 9 11.820 -2.270 3.977 1.00 0.00 C ATOM 677 CG LYS B 9 10.958 -1.289 4.757 1.00 0.00 C ATOM 678 CD LYS B 9 11.763 -0.081 5.219 1.00 0.00 C ATOM 679 CE LYS B 9 12.916 -0.477 6.137 1.00 0.00 C ATOM 680 NZ LYS B 9 12.443 -1.151 7.376 1.00 0.00 N ATOM 0 H LYS B 9 12.971 -4.218 3.025 1.00 0.00 H new ATOM 0 HA LYS B 9 10.406 -3.874 4.230 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.632 -2.613 4.618 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.277 -1.747 3.137 1.00 0.00 H new ATOM 0 HG2 LYS B 9 10.128 -0.957 4.133 1.00 0.00 H new ATOM 0 HG3 LYS B 9 10.526 -1.792 5.622 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.157 0.446 4.350 1.00 0.00 H new ATOM 0 HD3 LYS B 9 11.106 0.614 5.742 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.594 -1.141 5.600 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.487 0.412 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.239 -1.264 8.035 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 11.702 -0.574 7.824 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.056 -2.086 7.136 1.00 0.00 H new ATOM 694 N VAL B 10 10.803 -2.939 1.095 1.00 0.00 N ATOM 695 CA VAL B 10 10.076 -2.548 -0.105 1.00 0.00 C ATOM 696 C VAL B 10 9.152 -3.674 -0.565 1.00 0.00 C ATOM 697 O VAL B 10 8.058 -3.414 -1.051 1.00 0.00 O ATOM 698 CB VAL B 10 11.030 -2.131 -1.254 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.798 -3.320 -1.810 1.00 0.00 C ATOM 700 CG2 VAL B 10 10.263 -1.424 -2.359 1.00 0.00 C ATOM 0 H VAL B 10 11.804 -3.081 0.956 1.00 0.00 H new ATOM 0 HA VAL B 10 9.474 -1.677 0.153 1.00 0.00 H new ATOM 0 HB VAL B 10 11.759 -1.437 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL B 10 12.455 -2.986 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL B 10 12.395 -3.771 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.096 -4.057 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL B 10 10.951 -1.140 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL B 10 9.502 -2.093 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.785 -0.531 -1.956 1.00 0.00 H new ATOM 710 N GLU B 11 9.583 -4.924 -0.390 1.00 0.00 N ATOM 711 CA GLU B 11 8.737 -6.069 -0.709 1.00 0.00 C ATOM 712 C GLU B 11 7.559 -6.123 0.253 1.00 0.00 C ATOM 713 O GLU B 11 6.433 -6.440 -0.137 1.00 0.00 O ATOM 714 CB GLU B 11 9.536 -7.373 -0.635 1.00 0.00 C ATOM 715 CG GLU B 11 8.705 -8.610 -0.944 1.00 0.00 C ATOM 716 CD GLU B 11 9.498 -9.897 -0.842 1.00 0.00 C ATOM 717 OE1 GLU B 11 9.615 -10.436 0.276 1.00 0.00 O ATOM 718 OE2 GLU B 11 9.995 -10.371 -1.883 1.00 0.00 O ATOM 0 H GLU B 11 10.507 -5.166 -0.032 1.00 0.00 H new ATOM 0 HA GLU B 11 8.366 -5.953 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.369 -7.320 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.964 -7.472 0.363 1.00 0.00 H new ATOM 0 HG2 GLU B 11 7.861 -8.655 -0.256 1.00 0.00 H new ATOM 0 HG3 GLU B 11 8.293 -8.522 -1.949 1.00 0.00 H new ATOM 725 N GLU B 12 7.831 -5.814 1.515 1.00 0.00 N ATOM 726 CA GLU B 12 6.787 -5.740 2.529 1.00 0.00 C ATOM 727 C GLU B 12 5.709 -4.734 2.119 1.00 0.00 C ATOM 728 O GLU B 12 4.525 -5.051 2.132 1.00 0.00 O ATOM 729 CB GLU B 12 7.385 -5.350 3.883 1.00 0.00 C ATOM 730 CG GLU B 12 6.416 -5.490 5.046 1.00 0.00 C ATOM 731 CD GLU B 12 6.025 -6.933 5.307 1.00 0.00 C ATOM 732 OE1 GLU B 12 6.774 -7.630 6.022 1.00 0.00 O ATOM 733 OE2 GLU B 12 4.970 -7.363 4.797 1.00 0.00 O ATOM 0 H GLU B 12 8.769 -5.610 1.861 1.00 0.00 H new ATOM 0 HA GLU B 12 6.327 -6.724 2.619 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.260 -5.970 4.075 1.00 0.00 H new ATOM 0 HB3 GLU B 12 7.731 -4.318 3.833 1.00 0.00 H new ATOM 0 HG2 GLU B 12 6.869 -5.072 5.945 1.00 0.00 H new ATOM 0 HG3 GLU B 12 5.519 -4.906 4.840 1.00 0.00 H new ATOM 740 N LEU B 13 6.120 -3.524 1.761 1.00 0.00 N ATOM 741 CA LEU B 13 5.181 -2.503 1.310 1.00 0.00 C ATOM 742 C LEU B 13 4.610 -2.787 -0.076 1.00 0.00 C ATOM 743 O LEU B 13 3.471 -2.421 -0.358 1.00 0.00 O ATOM 744 CB LEU B 13 5.839 -1.135 1.368 1.00 0.00 C ATOM 745 CG LEU B 13 5.742 -0.498 2.743 1.00 0.00 C ATOM 746 CD1 LEU B 13 6.901 0.453 2.987 1.00 0.00 C ATOM 747 CD2 LEU B 13 4.418 0.232 2.890 1.00 0.00 C ATOM 0 H LEU B 13 7.095 -3.225 1.774 1.00 0.00 H new ATOM 0 HA LEU B 13 4.329 -2.520 1.990 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.888 -1.229 1.088 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.371 -0.479 0.634 1.00 0.00 H new ATOM 0 HG LEU B 13 5.794 -1.290 3.490 1.00 0.00 H new ATOM 0 HD11 LEU B 13 6.806 0.895 3.979 1.00 0.00 H new ATOM 0 HD12 LEU B 13 7.841 -0.095 2.922 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.888 1.242 2.235 1.00 0.00 H new ATOM 0 HD21 LEU B 13 4.360 0.685 3.880 1.00 0.00 H new ATOM 0 HD22 LEU B 13 4.345 1.010 2.130 1.00 0.00 H new ATOM 0 HD23 LEU B 13 3.597 -0.474 2.765 1.00 0.00 H new ATOM 759 N LEU B 14 5.390 -3.428 -0.936 1.00 0.00 N ATOM 760 CA LEU B 14 4.888 -3.890 -2.219 1.00 0.00 C ATOM 761 C LEU B 14 3.687 -4.805 -1.990 1.00 0.00 C ATOM 762 O LEU B 14 2.657 -4.678 -2.653 1.00 0.00 O ATOM 763 CB LEU B 14 6.026 -4.592 -2.994 1.00 0.00 C ATOM 764 CG LEU B 14 5.700 -5.156 -4.386 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.969 -6.486 -4.284 1.00 0.00 C ATOM 766 CD2 LEU B 14 4.899 -4.158 -5.212 1.00 0.00 C ATOM 0 H LEU B 14 6.373 -3.639 -0.766 1.00 0.00 H new ATOM 0 HA LEU B 14 4.551 -3.050 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.845 -3.881 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.395 -5.412 -2.378 1.00 0.00 H new ATOM 0 HG LEU B 14 6.646 -5.332 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.752 -6.860 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU B 14 5.595 -7.205 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.036 -6.347 -3.738 1.00 0.00 H new ATOM 0 HD21 LEU B 14 4.684 -4.586 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.963 -3.931 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU B 14 5.476 -3.242 -5.335 1.00 0.00 H new ATOM 778 N SER B 15 3.811 -5.698 -1.020 1.00 0.00 N ATOM 779 CA SER B 15 2.722 -6.592 -0.679 1.00 0.00 C ATOM 780 C SER B 15 1.646 -5.872 0.141 1.00 0.00 C ATOM 781 O SER B 15 0.464 -6.190 0.008 1.00 0.00 O ATOM 782 CB SER B 15 3.249 -7.828 0.051 1.00 0.00 C ATOM 783 OG SER B 15 4.192 -7.475 1.045 1.00 0.00 O ATOM 0 H SER B 15 4.653 -5.821 -0.458 1.00 0.00 H new ATOM 0 HA SER B 15 2.253 -6.924 -1.605 1.00 0.00 H new ATOM 0 HB2 SER B 15 2.418 -8.364 0.509 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.710 -8.507 -0.666 1.00 0.00 H new ATOM 0 HG SER B 15 4.067 -6.536 1.295 1.00 0.00 H new ATOM 789 N LYS B 16 2.032 -4.903 0.988 1.00 0.00 N ATOM 790 CA LYS B 16 1.035 -4.094 1.697 1.00 0.00 C ATOM 791 C LYS B 16 0.130 -3.370 0.702 1.00 0.00 C ATOM 792 O LYS B 16 -1.093 -3.373 0.850 1.00 0.00 O ATOM 793 CB LYS B 16 1.701 -3.080 2.630 1.00 0.00 C ATOM 794 CG LYS B 16 2.381 -3.712 3.835 1.00 0.00 C ATOM 795 CD LYS B 16 3.059 -2.673 4.715 1.00 0.00 C ATOM 796 CE LYS B 16 2.063 -1.680 5.297 1.00 0.00 C ATOM 797 NZ LYS B 16 1.028 -2.348 6.130 1.00 0.00 N ATOM 0 H LYS B 16 3.003 -4.667 1.193 1.00 0.00 H new ATOM 0 HA LYS B 16 0.432 -4.769 2.303 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.439 -2.510 2.065 1.00 0.00 H new ATOM 0 HB3 LYS B 16 0.949 -2.372 2.978 1.00 0.00 H new ATOM 0 HG2 LYS B 16 1.643 -4.259 4.422 1.00 0.00 H new ATOM 0 HG3 LYS B 16 3.120 -4.438 3.495 1.00 0.00 H new ATOM 0 HD2 LYS B 16 3.587 -3.174 5.526 1.00 0.00 H new ATOM 0 HD3 LYS B 16 3.807 -2.136 4.131 1.00 0.00 H new ATOM 0 HE2 LYS B 16 2.595 -0.945 5.901 1.00 0.00 H new ATOM 0 HE3 LYS B 16 1.579 -1.135 4.486 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 0.499 -1.631 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.374 -2.874 5.516 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 1.487 -3.007 6.791 1.00 0.00 H new ATOM 811 N ASN B 17 0.744 -2.768 -0.315 1.00 0.00 N ATOM 812 CA ASN B 17 0.014 -2.117 -1.396 1.00 0.00 C ATOM 813 C ASN B 17 -1.024 -3.060 -1.993 1.00 0.00 C ATOM 814 O ASN B 17 -2.187 -2.701 -2.141 1.00 0.00 O ATOM 815 CB ASN B 17 0.998 -1.654 -2.479 1.00 0.00 C ATOM 816 CG ASN B 17 0.315 -1.095 -3.715 1.00 0.00 C ATOM 817 OD1 ASN B 17 0.006 0.093 -3.790 1.00 0.00 O ATOM 818 ND2 ASN B 17 0.096 -1.945 -4.709 1.00 0.00 N ATOM 0 H ASN B 17 1.758 -2.719 -0.411 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.509 -1.250 -0.992 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.656 -0.892 -2.060 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.628 -2.494 -2.770 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -0.342 -1.620 -5.571 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.366 -2.924 -4.612 1.00 0.00 H new ATOM 825 N TYR B 18 -0.606 -4.276 -2.317 1.00 0.00 N ATOM 826 CA TYR B 18 -1.514 -5.254 -2.902 1.00 0.00 C ATOM 827 C TYR B 18 -2.579 -5.701 -1.908 1.00 0.00 C ATOM 828 O TYR B 18 -3.738 -5.866 -2.281 1.00 0.00 O ATOM 829 CB TYR B 18 -0.746 -6.457 -3.449 1.00 0.00 C ATOM 830 CG TYR B 18 -0.179 -6.212 -4.827 1.00 0.00 C ATOM 831 CD1 TYR B 18 -0.975 -6.366 -5.952 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.140 -5.819 -5.006 1.00 0.00 C ATOM 833 CE1 TYR B 18 -0.474 -6.135 -7.217 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.649 -5.588 -6.270 1.00 0.00 C ATOM 835 CZ TYR B 18 0.837 -5.747 -7.371 1.00 0.00 C ATOM 836 OH TYR B 18 1.335 -5.511 -8.633 1.00 0.00 O ATOM 0 H TYR B 18 0.350 -4.608 -2.186 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.023 -4.766 -3.733 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.066 -6.705 -2.766 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -1.409 -7.321 -3.482 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -2.004 -6.672 -5.836 1.00 0.00 H new ATOM 0 HD2 TYR B 18 1.778 -5.692 -4.144 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.108 -6.258 -8.082 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.678 -5.284 -6.394 1.00 0.00 H new ATOM 0 HH TYR B 18 2.276 -5.244 -8.569 1.00 0.00 H new ATOM 846 N HIS B 19 -2.197 -5.881 -0.650 1.00 0.00 N ATOM 847 CA HIS B 19 -3.157 -6.252 0.389 1.00 0.00 C ATOM 848 C HIS B 19 -4.274 -5.221 0.484 1.00 0.00 C ATOM 849 O HIS B 19 -5.448 -5.568 0.617 1.00 0.00 O ATOM 850 CB HIS B 19 -2.472 -6.397 1.752 1.00 0.00 C ATOM 851 CG HIS B 19 -1.796 -7.718 1.961 1.00 0.00 C ATOM 852 ND1 HIS B 19 -0.442 -7.853 2.183 1.00 0.00 N ATOM 853 CD2 HIS B 19 -2.305 -8.972 2.001 1.00 0.00 C ATOM 854 CE1 HIS B 19 -0.151 -9.129 2.348 1.00 0.00 C ATOM 855 NE2 HIS B 19 -1.262 -9.829 2.242 1.00 0.00 N ATOM 0 H HIS B 19 -1.236 -5.778 -0.323 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.584 -7.216 0.111 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -1.734 -5.602 1.862 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -3.215 -6.253 2.537 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -3.341 -9.247 1.868 1.00 0.00 H new ATOM 0 HE1 HIS B 19 0.833 -9.532 2.538 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -1.335 -10.843 2.326 1.00 0.00 H new ATOM 864 N LEU B 20 -3.904 -3.954 0.404 1.00 0.00 N ATOM 865 CA LEU B 20 -4.874 -2.874 0.489 1.00 0.00 C ATOM 866 C LEU B 20 -5.603 -2.692 -0.832 1.00 0.00 C ATOM 867 O LEU B 20 -6.785 -2.364 -0.845 1.00 0.00 O ATOM 868 CB LEU B 20 -4.198 -1.574 0.925 1.00 0.00 C ATOM 869 CG LEU B 20 -4.088 -1.382 2.441 1.00 0.00 C ATOM 870 CD1 LEU B 20 -3.525 -2.626 3.108 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.220 -0.180 2.757 1.00 0.00 C ATOM 0 H LEU B 20 -2.939 -3.647 0.280 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.614 -3.141 1.244 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.197 -1.540 0.495 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.753 -0.735 0.506 1.00 0.00 H new ATOM 0 HG LEU B 20 -5.090 -1.208 2.834 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -3.457 -2.463 4.184 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -4.181 -3.474 2.910 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.532 -2.835 2.709 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.151 -0.055 3.838 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -2.223 -0.333 2.344 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -3.662 0.714 2.316 1.00 0.00 H new ATOM 883 N GLU B 21 -4.907 -2.924 -1.938 1.00 0.00 N ATOM 884 CA GLU B 21 -5.533 -2.878 -3.254 1.00 0.00 C ATOM 885 C GLU B 21 -6.650 -3.913 -3.319 1.00 0.00 C ATOM 886 O GLU B 21 -7.720 -3.660 -3.872 1.00 0.00 O ATOM 887 CB GLU B 21 -4.489 -3.131 -4.352 1.00 0.00 C ATOM 888 CG GLU B 21 -4.920 -2.674 -5.741 1.00 0.00 C ATOM 889 CD GLU B 21 -5.677 -3.736 -6.521 1.00 0.00 C ATOM 890 OE1 GLU B 21 -5.017 -4.626 -7.096 1.00 0.00 O ATOM 891 OE2 GLU B 21 -6.923 -3.670 -6.567 1.00 0.00 O ATOM 0 H GLU B 21 -3.911 -3.145 -1.951 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.958 -1.888 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -3.565 -2.619 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -4.265 -4.197 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -5.548 -1.788 -5.645 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.037 -2.378 -6.308 1.00 0.00 H new ATOM 898 N ASN B 22 -6.392 -5.072 -2.729 1.00 0.00 N ATOM 899 CA ASN B 22 -7.397 -6.122 -2.619 1.00 0.00 C ATOM 900 C ASN B 22 -8.580 -5.657 -1.774 1.00 0.00 C ATOM 901 O ASN B 22 -9.724 -6.028 -2.035 1.00 0.00 O ATOM 902 CB ASN B 22 -6.795 -7.397 -2.018 1.00 0.00 C ATOM 903 CG ASN B 22 -6.139 -8.288 -3.060 1.00 0.00 C ATOM 904 OD1 ASN B 22 -6.788 -9.152 -3.652 1.00 0.00 O ATOM 905 ND2 ASN B 22 -4.850 -8.096 -3.288 1.00 0.00 N ATOM 0 H ASN B 22 -5.490 -5.310 -2.317 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.752 -6.345 -3.625 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.057 -7.124 -1.264 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.579 -7.958 -1.509 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.362 -8.673 -3.973 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -4.345 -7.371 -2.779 1.00 0.00 H new ATOM 912 N GLU B 23 -8.304 -4.826 -0.773 1.00 0.00 N ATOM 913 CA GLU B 23 -9.352 -4.322 0.105 1.00 0.00 C ATOM 914 C GLU B 23 -10.189 -3.256 -0.594 1.00 0.00 C ATOM 915 O GLU B 23 -11.390 -3.147 -0.356 1.00 0.00 O ATOM 916 CB GLU B 23 -8.762 -3.761 1.397 1.00 0.00 C ATOM 917 CG GLU B 23 -8.136 -4.818 2.288 1.00 0.00 C ATOM 918 CD GLU B 23 -7.657 -4.251 3.609 1.00 0.00 C ATOM 919 OE1 GLU B 23 -8.461 -4.208 4.562 1.00 0.00 O ATOM 920 OE2 GLU B 23 -6.476 -3.853 3.688 1.00 0.00 O ATOM 0 H GLU B 23 -7.367 -4.489 -0.551 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.001 -5.161 0.355 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.008 -3.014 1.148 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.547 -3.248 1.952 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.864 -5.607 2.477 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.296 -5.277 1.767 1.00 0.00 H new ATOM 927 N VAL B 24 -9.559 -2.472 -1.459 1.00 0.00 N ATOM 928 CA VAL B 24 -10.286 -1.465 -2.217 1.00 0.00 C ATOM 929 C VAL B 24 -11.194 -2.142 -3.239 1.00 0.00 C ATOM 930 O VAL B 24 -12.322 -1.708 -3.472 1.00 0.00 O ATOM 931 CB VAL B 24 -9.349 -0.481 -2.956 1.00 0.00 C ATOM 932 CG1 VAL B 24 -10.146 0.672 -3.557 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.272 0.053 -2.029 1.00 0.00 C ATOM 0 H VAL B 24 -8.558 -2.513 -1.651 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.871 -0.892 -1.498 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.862 -1.029 -3.763 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -9.469 1.353 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -10.875 0.280 -4.266 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.665 1.209 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.629 0.742 -2.577 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.737 0.577 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.675 -0.776 -1.649 1.00 0.00 H new ATOM 943 N ALA B 25 -10.700 -3.229 -3.822 1.00 0.00 N ATOM 944 CA ALA B 25 -11.424 -3.929 -4.878 1.00 0.00 C ATOM 945 C ALA B 25 -12.728 -4.536 -4.367 1.00 0.00 C ATOM 946 O ALA B 25 -13.760 -4.460 -5.039 1.00 0.00 O ATOM 947 CB ALA B 25 -10.551 -5.007 -5.499 1.00 0.00 C ATOM 0 H ALA B 25 -9.800 -3.645 -3.581 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.678 -3.193 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -11.108 -5.518 -6.284 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.658 -4.551 -5.926 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -10.261 -5.726 -4.733 1.00 0.00 H new ATOM 953 N ARG B 26 -12.683 -5.127 -3.175 1.00 0.00 N ATOM 954 CA ARG B 26 -13.854 -5.772 -2.606 1.00 0.00 C ATOM 955 C ARG B 26 -14.949 -4.760 -2.283 1.00 0.00 C ATOM 956 O ARG B 26 -16.109 -4.961 -2.641 1.00 0.00 O ATOM 957 CB ARG B 26 -13.484 -6.596 -1.364 1.00 0.00 C ATOM 958 CG ARG B 26 -12.541 -5.908 -0.386 1.00 0.00 C ATOM 959 CD ARG B 26 -12.174 -6.827 0.767 1.00 0.00 C ATOM 960 NE ARG B 26 -13.330 -7.150 1.603 1.00 0.00 N ATOM 961 CZ ARG B 26 -13.540 -8.345 2.157 1.00 0.00 C ATOM 962 NH1 ARG B 26 -12.679 -9.336 1.960 1.00 0.00 N ATOM 963 NH2 ARG B 26 -14.617 -8.545 2.908 1.00 0.00 N ATOM 0 H ARG B 26 -11.849 -5.170 -2.589 1.00 0.00 H new ATOM 0 HA ARG B 26 -14.248 -6.455 -3.359 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -14.401 -6.859 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -13.025 -7.529 -1.690 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -11.636 -5.597 -0.908 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -13.012 -5.005 0.002 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -11.743 -7.748 0.373 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -11.407 -6.352 1.378 1.00 0.00 H new ATOM 0 HE ARG B 26 -14.018 -6.416 1.773 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -11.852 -9.186 1.383 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -12.845 -10.248 2.386 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -15.281 -7.786 3.060 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -14.780 -9.458 3.333 1.00 0.00 H new ATOM 977 N LEU B 27 -14.577 -3.666 -1.634 1.00 0.00 N ATOM 978 CA LEU B 27 -15.542 -2.637 -1.259 1.00 0.00 C ATOM 979 C LEU B 27 -16.084 -1.913 -2.482 1.00 0.00 C ATOM 980 O LEU B 27 -17.262 -1.565 -2.529 1.00 0.00 O ATOM 981 CB LEU B 27 -14.909 -1.629 -0.320 1.00 0.00 C ATOM 982 CG LEU B 27 -14.399 -2.191 0.995 1.00 0.00 C ATOM 983 CD1 LEU B 27 -13.340 -1.280 1.569 1.00 0.00 C ATOM 984 CD2 LEU B 27 -15.544 -2.358 1.979 1.00 0.00 C ATOM 0 H LEU B 27 -13.616 -3.466 -1.356 1.00 0.00 H new ATOM 0 HA LEU B 27 -16.369 -3.136 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -14.078 -1.149 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.641 -0.851 -0.103 1.00 0.00 H new ATOM 0 HG LEU B 27 -13.958 -3.171 0.811 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.979 -1.690 2.512 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.510 -1.200 0.867 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.765 -0.292 1.742 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -15.162 -2.762 2.917 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -16.009 -1.390 2.164 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -16.284 -3.043 1.564 1.00 0.00 H new ATOM 996 N LYS B 28 -15.217 -1.681 -3.461 1.00 0.00 N ATOM 997 CA LYS B 28 -15.613 -1.026 -4.703 1.00 0.00 C ATOM 998 C LYS B 28 -16.821 -1.722 -5.331 1.00 0.00 C ATOM 999 O LYS B 28 -17.711 -1.067 -5.873 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.443 -1.023 -5.691 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.599 -0.031 -6.832 1.00 0.00 C ATOM 1002 CD LYS B 28 -14.518 1.405 -6.337 1.00 0.00 C ATOM 1003 CE LYS B 28 -14.570 2.401 -7.486 1.00 0.00 C ATOM 1004 NZ LYS B 28 -15.882 2.383 -8.188 1.00 0.00 N ATOM 0 H LYS B 28 -14.231 -1.938 -3.418 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.893 0.001 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.524 -0.797 -5.150 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.330 -2.024 -6.107 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.821 -0.205 -7.576 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -15.556 -0.193 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -15.341 1.600 -5.649 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.594 1.545 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.378 3.404 -7.104 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.776 2.174 -8.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.895 3.123 -8.918 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -16.024 1.454 -8.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -16.645 2.559 -7.503 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.860 -3.047 -5.230 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.957 -3.817 -5.803 1.00 0.00 C ATOM 1020 C LYS B 29 -19.082 -4.016 -4.787 1.00 0.00 C ATOM 1021 O LYS B 29 -20.162 -4.473 -5.131 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.449 -5.164 -6.323 1.00 0.00 C ATOM 1023 CG LYS B 29 -18.515 -6.018 -6.995 1.00 0.00 C ATOM 1024 CD LYS B 29 -17.945 -7.327 -7.509 1.00 0.00 C ATOM 1025 CE LYS B 29 -18.987 -8.116 -8.282 1.00 0.00 C ATOM 1026 NZ LYS B 29 -19.457 -7.392 -9.493 1.00 0.00 N ATOM 0 H LYS B 29 -16.149 -3.607 -4.759 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.365 -3.254 -6.642 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -16.642 -4.985 -7.034 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.023 -5.724 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -19.317 -6.224 -6.286 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -18.957 -5.464 -7.823 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.088 -7.126 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.583 -7.922 -6.671 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.567 -9.078 -8.576 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -19.837 -8.325 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.933 -8.059 -10.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -20.124 -6.645 -9.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.643 -6.965 -9.980 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.840 -3.660 -3.541 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.903 -3.686 -2.547 1.00 0.00 C ATOM 1042 C LEU B 30 -20.735 -2.416 -2.654 1.00 0.00 C ATOM 1043 O LEU B 30 -21.940 -2.421 -2.399 1.00 0.00 O ATOM 1044 CB LEU B 30 -19.336 -3.841 -1.137 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.636 -5.173 -0.858 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -18.077 -5.195 0.552 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -19.595 -6.336 -1.065 1.00 0.00 C ATOM 0 H LEU B 30 -17.932 -3.353 -3.193 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.540 -4.548 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.628 -3.032 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -20.148 -3.719 -0.421 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.809 -5.278 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -17.583 -6.150 0.733 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -17.357 -4.385 0.671 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.889 -5.066 1.267 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -19.078 -7.274 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -20.442 -6.234 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.952 -6.334 -2.095 1.00 0.00 H new ATOM 1059 N VAL B 31 -20.081 -1.329 -3.044 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.767 -0.066 -3.272 1.00 0.00 C ATOM 1061 C VAL B 31 -21.250 0.012 -4.720 1.00 0.00 C ATOM 1062 O VAL B 31 -22.231 0.689 -5.026 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.848 1.146 -2.976 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -20.651 2.438 -2.916 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.074 0.938 -1.685 1.00 0.00 C ATOM 0 H VAL B 31 -19.075 -1.298 -3.209 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.617 -0.027 -2.591 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.132 1.228 -3.794 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -19.982 3.273 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -21.148 2.602 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -21.398 2.365 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -18.436 1.802 -1.500 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.773 0.818 -0.857 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.457 0.044 -1.771 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.563 -0.701 -5.604 1.00 0.00 N ATOM 1076 CA GLY B 32 -20.882 -0.643 -7.017 1.00 0.00 C ATOM 1077 C GLY B 32 -21.714 -1.818 -7.488 1.00 0.00 C ATOM 1078 O GLY B 32 -22.678 -1.633 -8.229 1.00 0.00 O ATOM 0 H GLY B 32 -19.788 -1.320 -5.366 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -21.421 0.282 -7.224 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -19.956 -0.608 -7.591 1.00 0.00 H new ATOM 1082 N GLU B 33 -21.331 -3.023 -7.060 1.00 0.00 N ATOM 1083 CA GLU B 33 -22.016 -4.259 -7.444 1.00 0.00 C ATOM 1084 C GLU B 33 -21.746 -4.581 -8.908 1.00 0.00 C ATOM 1085 O GLU B 33 -20.620 -5.018 -9.219 1.00 0.00 O ATOM 1086 CB GLU B 33 -23.527 -4.178 -7.180 1.00 0.00 C ATOM 1087 CG GLU B 33 -23.893 -3.993 -5.714 1.00 0.00 C ATOM 1088 CD GLU B 33 -23.499 -5.178 -4.854 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -22.600 -5.024 -4.003 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -24.090 -6.261 -5.033 1.00 0.00 O ATOM 1091 OXT GLU B 33 -22.655 -4.402 -9.744 1.00 0.00 O ATOM 0 H GLU B 33 -20.537 -3.169 -6.437 1.00 0.00 H new ATOM 0 HA GLU B 33 -21.618 -5.064 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -23.941 -3.349 -7.754 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -23.999 -5.089 -7.549 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -23.405 -3.096 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -24.968 -3.831 -5.631 1.00 0.00 H new TER 1098 GLU B 33