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 Set 1.1: B 2 SER OG : rot -124:sc= 0.312 USER MOD Set 1.2: B 5 GLN :FLIP amide:sc= 0.284 F(o=-1.5!,f=0.6) USER MOD Set 2.1: A 2 SER OG : rot -123:sc= 0.372 USER MOD Set 2.2: A 5 GLN :FLIP amide:sc= 0.34 F(o=-1.5!,f=0.71) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0508 (180deg=0) USER MOD Single : A 3 MET CE :methyl -174:sc= -0.0506 (180deg=-0.148) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 78:sc= 1.18 USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -0.0669 (180deg=-0.346) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.167 F(o=-1.7!,f=-0.17) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN :FLIP amide:sc= 1.19 F(o=-0.00099,f=1.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -0.0115 (180deg=-0.168) USER MOD Single : B 1 GLY N :NH3+ -139:sc= 0.0523 (180deg=0) USER MOD Single : B 3 MET CE :methyl -172:sc= -0.0412 (180deg=-0.245) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 75:sc= 1.25 USER MOD Single : B 16 LYS NZ :NH3+ 166:sc= -0.0627 (180deg=-0.339) USER MOD Single : B 17 ASN :FLIP amide:sc= -0.222 F(o=-1.4,f=-0.22) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 22 ASN :FLIP amide:sc= 1.15 F(o=0,f=1.1) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 166:sc= -0.0132 (180deg=-0.182) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.026 -2.191 -5.842 1.00 0.00 N ATOM 2 CA GLY A 1 24.891 -0.755 -5.512 1.00 0.00 C ATOM 3 C GLY A 1 23.454 -0.293 -5.583 1.00 0.00 C ATOM 4 O GLY A 1 22.536 -1.095 -5.417 1.00 0.00 O ATOM 0 H1 GLY A 1 25.722 -2.629 -5.206 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.106 -2.662 -5.725 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.344 -2.292 -6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.281 -0.574 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.496 -0.166 -6.201 1.00 0.00 H new ATOM 10 N SER A 2 23.263 1.002 -5.826 1.00 0.00 N ATOM 11 CA SER A 2 21.933 1.589 -5.956 1.00 0.00 C ATOM 12 C SER A 2 21.133 1.470 -4.659 1.00 0.00 C ATOM 13 O SER A 2 19.922 1.237 -4.678 1.00 0.00 O ATOM 14 CB SER A 2 21.172 0.937 -7.108 1.00 0.00 C ATOM 15 OG SER A 2 21.877 1.089 -8.328 1.00 0.00 O ATOM 0 H SER A 2 24.024 1.672 -5.938 1.00 0.00 H new ATOM 0 HA SER A 2 22.062 2.650 -6.170 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.024 -0.122 -6.898 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.183 1.386 -7.196 1.00 0.00 H new ATOM 0 HG SER A 2 21.307 1.546 -8.981 1.00 0.00 H new ATOM 21 N MET A 3 21.814 1.653 -3.536 1.00 0.00 N ATOM 22 CA MET A 3 21.162 1.638 -2.234 1.00 0.00 C ATOM 23 C MET A 3 20.134 2.761 -2.157 1.00 0.00 C ATOM 24 O MET A 3 19.062 2.603 -1.572 1.00 0.00 O ATOM 25 CB MET A 3 22.202 1.783 -1.119 1.00 0.00 C ATOM 26 CG MET A 3 21.608 1.829 0.277 1.00 0.00 C ATOM 27 SD MET A 3 22.865 2.015 1.554 1.00 0.00 S ATOM 28 CE MET A 3 21.841 2.122 3.017 1.00 0.00 C ATOM 0 H MET A 3 22.821 1.814 -3.501 1.00 0.00 H new ATOM 0 HA MET A 3 20.650 0.685 -2.103 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.901 0.949 -1.178 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.777 2.694 -1.288 1.00 0.00 H new ATOM 0 HG2 MET A 3 20.903 2.658 0.342 1.00 0.00 H new ATOM 0 HG3 MET A 3 21.043 0.915 0.458 1.00 0.00 H new ATOM 0 HE1 MET A 3 22.465 2.346 3.882 1.00 0.00 H new ATOM 0 HE2 MET A 3 21.103 2.913 2.887 1.00 0.00 H new ATOM 0 HE3 MET A 3 21.331 1.172 3.174 1.00 0.00 H new ATOM 38 N LYS A 4 20.458 3.887 -2.786 1.00 0.00 N ATOM 39 CA LYS A 4 19.545 5.024 -2.832 1.00 0.00 C ATOM 40 C LYS A 4 18.285 4.691 -3.636 1.00 0.00 C ATOM 41 O LYS A 4 17.229 5.283 -3.408 1.00 0.00 O ATOM 42 CB LYS A 4 20.228 6.270 -3.421 1.00 0.00 C ATOM 43 CG LYS A 4 20.595 6.161 -4.899 1.00 0.00 C ATOM 44 CD LYS A 4 21.975 5.555 -5.116 1.00 0.00 C ATOM 45 CE LYS A 4 23.079 6.480 -4.622 1.00 0.00 C ATOM 46 NZ LYS A 4 24.432 5.954 -4.950 1.00 0.00 N ATOM 0 H LYS A 4 21.344 4.036 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 4 19.255 5.243 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.567 7.126 -3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 4 21.134 6.474 -2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 4 19.850 5.552 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.562 7.152 -5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.039 4.600 -4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.120 5.349 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.954 7.466 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 4 22.991 6.607 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 25.155 6.612 -4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 24.561 5.025 -4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.526 5.857 -5.981 1.00 0.00 H new ATOM 60 N GLN A 5 18.385 3.741 -4.566 1.00 0.00 N ATOM 61 CA GLN A 5 17.236 3.361 -5.378 1.00 0.00 C ATOM 62 C GLN A 5 16.298 2.463 -4.584 1.00 0.00 C ATOM 63 O GLN A 5 15.105 2.386 -4.876 1.00 0.00 O ATOM 64 CB GLN A 5 17.667 2.671 -6.676 1.00 0.00 C ATOM 65 CG GLN A 5 18.404 3.588 -7.645 1.00 0.00 C ATOM 66 CD GLN A 5 18.408 3.057 -9.067 1.00 0.00 C ATOM 67 OE1 GLN A 5 19.450 2.332 -9.435 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 17.488 3.320 -9.844 1.00 0.00 N flip ATOM 0 H GLN A 5 19.242 3.227 -4.772 1.00 0.00 H new ATOM 0 HA GLN A 5 16.705 4.274 -5.649 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.310 1.825 -6.431 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.784 2.267 -7.172 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.939 4.574 -7.631 1.00 0.00 H new ATOM 0 HG3 GLN A 5 19.432 3.716 -7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 5 16.698 3.882 -9.527 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.517 2.975 -10.804 1.00 0.00 H new ATOM 77 N LEU A 6 16.838 1.794 -3.571 1.00 0.00 N ATOM 78 CA LEU A 6 16.009 1.004 -2.666 1.00 0.00 C ATOM 79 C LEU A 6 15.131 1.934 -1.844 1.00 0.00 C ATOM 80 O LEU A 6 13.970 1.634 -1.572 1.00 0.00 O ATOM 81 CB LEU A 6 16.855 0.123 -1.737 1.00 0.00 C ATOM 82 CG LEU A 6 17.678 -0.970 -2.422 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.415 -1.801 -1.385 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.788 -1.857 -3.276 1.00 0.00 C ATOM 0 H LEU A 6 17.835 1.782 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 6 15.388 0.341 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.534 0.766 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.192 -0.349 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 6 18.410 -0.493 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.997 -2.575 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.083 -1.158 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.694 -2.266 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.393 -2.627 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 6 16.032 -2.328 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 6 16.299 -1.253 -4.041 1.00 0.00 H new ATOM 96 N GLU A 7 15.697 3.080 -1.477 1.00 0.00 N ATOM 97 CA GLU A 7 14.962 4.100 -0.748 1.00 0.00 C ATOM 98 C GLU A 7 13.795 4.619 -1.577 1.00 0.00 C ATOM 99 O GLU A 7 12.707 4.835 -1.051 1.00 0.00 O ATOM 100 CB GLU A 7 15.892 5.251 -0.369 1.00 0.00 C ATOM 101 CG GLU A 7 16.828 4.918 0.779 1.00 0.00 C ATOM 102 CD GLU A 7 16.098 4.834 2.105 1.00 0.00 C ATOM 103 OE1 GLU A 7 15.383 3.842 2.337 1.00 0.00 O ATOM 104 OE2 GLU A 7 16.226 5.774 2.919 1.00 0.00 O ATOM 0 H GLU A 7 16.668 3.323 -1.675 1.00 0.00 H new ATOM 0 HA GLU A 7 14.565 3.652 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.484 5.532 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.291 6.119 -0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.324 3.968 0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.607 5.677 0.842 1.00 0.00 H new ATOM 111 N ASP A 8 14.024 4.797 -2.878 1.00 0.00 N ATOM 112 CA ASP A 8 12.973 5.262 -3.784 1.00 0.00 C ATOM 113 C ASP A 8 11.753 4.361 -3.683 1.00 0.00 C ATOM 114 O ASP A 8 10.626 4.842 -3.553 1.00 0.00 O ATOM 115 CB ASP A 8 13.459 5.297 -5.236 1.00 0.00 C ATOM 116 CG ASP A 8 14.532 6.335 -5.478 1.00 0.00 C ATOM 117 OD1 ASP A 8 14.353 7.497 -5.061 1.00 0.00 O ATOM 118 OD2 ASP A 8 15.558 5.998 -6.104 1.00 0.00 O ATOM 0 H ASP A 8 14.924 4.627 -3.327 1.00 0.00 H new ATOM 0 HA ASP A 8 12.707 6.276 -3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.845 4.314 -5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.612 5.499 -5.892 1.00 0.00 H new ATOM 123 N LYS A 9 11.992 3.057 -3.760 1.00 0.00 N ATOM 124 CA LYS A 9 10.929 2.056 -3.563 1.00 0.00 C ATOM 125 C LYS A 9 10.193 2.288 -2.254 1.00 0.00 C ATOM 126 O LYS A 9 8.974 2.457 -2.238 1.00 0.00 O ATOM 127 CB LYS A 9 11.473 0.630 -3.501 1.00 0.00 C ATOM 128 CG LYS A 9 12.558 0.312 -4.516 1.00 0.00 C ATOM 129 CD LYS A 9 12.940 -1.156 -4.451 1.00 0.00 C ATOM 130 CE LYS A 9 13.950 -1.532 -5.518 1.00 0.00 C ATOM 131 NZ LYS A 9 14.308 -2.976 -5.449 1.00 0.00 N ATOM 0 H LYS A 9 12.910 2.660 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 9 10.266 2.169 -4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.868 0.451 -2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.646 -0.065 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.208 0.558 -5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.435 0.930 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.353 -1.379 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.046 -1.768 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.542 -1.304 -6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.849 -0.927 -5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.000 -3.198 -6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.720 -3.187 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.454 -3.553 -5.588 1.00 0.00 H new ATOM 145 N VAL A 10 10.957 2.290 -1.162 1.00 0.00 N ATOM 146 CA VAL A 10 10.404 2.364 0.186 1.00 0.00 C ATOM 147 C VAL A 10 9.520 3.586 0.311 1.00 0.00 C ATOM 148 O VAL A 10 8.407 3.524 0.828 1.00 0.00 O ATOM 149 CB VAL A 10 11.511 2.444 1.260 1.00 0.00 C ATOM 150 CG1 VAL A 10 10.893 2.484 2.648 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.469 1.274 1.139 1.00 0.00 C ATOM 0 H VAL A 10 11.975 2.240 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 10 9.828 1.453 0.350 1.00 0.00 H new ATOM 0 HB VAL A 10 12.077 3.362 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.683 2.540 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.248 3.359 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.303 1.582 2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.239 1.353 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.922 0.341 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.936 1.286 0.154 1.00 0.00 H new ATOM 161 N GLU A 11 10.029 4.689 -0.203 1.00 0.00 N ATOM 162 CA GLU A 11 9.320 5.962 -0.140 1.00 0.00 C ATOM 163 C GLU A 11 8.067 5.949 -1.018 1.00 0.00 C ATOM 164 O GLU A 11 6.987 6.339 -0.567 1.00 0.00 O ATOM 165 CB GLU A 11 10.236 7.118 -0.551 1.00 0.00 C ATOM 166 CG GLU A 11 11.498 7.233 0.290 1.00 0.00 C ATOM 167 CD GLU A 11 11.221 7.274 1.780 1.00 0.00 C ATOM 168 OE1 GLU A 11 11.784 6.434 2.520 1.00 0.00 O ATOM 169 OE2 GLU A 11 10.452 8.151 2.223 1.00 0.00 O ATOM 0 H GLU A 11 10.934 4.734 -0.671 1.00 0.00 H new ATOM 0 HA GLU A 11 9.010 6.110 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.518 6.991 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.679 8.052 -0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.151 6.388 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.038 8.135 0.002 1.00 0.00 H new ATOM 176 N GLU A 12 8.207 5.494 -2.264 1.00 0.00 N ATOM 177 CA GLU A 12 7.083 5.470 -3.199 1.00 0.00 C ATOM 178 C GLU A 12 5.976 4.535 -2.706 1.00 0.00 C ATOM 179 O GLU A 12 4.848 4.963 -2.445 1.00 0.00 O ATOM 180 CB GLU A 12 7.558 5.018 -4.582 1.00 0.00 C ATOM 181 CG GLU A 12 6.455 4.981 -5.627 1.00 0.00 C ATOM 182 CD GLU A 12 6.918 4.400 -6.945 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.586 5.118 -7.716 1.00 0.00 O ATOM 184 OE2 GLU A 12 6.611 3.222 -7.221 1.00 0.00 O ATOM 0 H GLU A 12 9.083 5.139 -2.647 1.00 0.00 H new ATOM 0 HA GLU A 12 6.679 6.480 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.346 5.689 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.000 4.025 -4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.621 4.391 -5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.082 5.992 -5.791 1.00 0.00 H new ATOM 191 N LEU A 13 6.321 3.261 -2.586 1.00 0.00 N ATOM 192 CA LEU A 13 5.385 2.217 -2.180 1.00 0.00 C ATOM 193 C LEU A 13 4.665 2.554 -0.876 1.00 0.00 C ATOM 194 O LEU A 13 3.475 2.300 -0.752 1.00 0.00 O ATOM 195 CB LEU A 13 6.119 0.884 -2.032 1.00 0.00 C ATOM 196 CG LEU A 13 6.808 0.377 -3.302 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.571 -0.905 -3.017 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.792 0.156 -4.411 1.00 0.00 C ATOM 0 H LEU A 13 7.264 2.918 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 13 4.629 2.143 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.868 0.985 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.406 0.130 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 13 7.517 1.135 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.054 -1.251 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.327 -0.717 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.879 -1.668 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.302 -0.204 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.057 -0.582 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.288 1.096 -4.635 1.00 0.00 H new ATOM 210 N LEU A 14 5.385 3.117 0.090 1.00 0.00 N ATOM 211 CA LEU A 14 4.798 3.469 1.378 1.00 0.00 C ATOM 212 C LEU A 14 3.764 4.583 1.224 1.00 0.00 C ATOM 213 O LEU A 14 2.699 4.530 1.837 1.00 0.00 O ATOM 214 CB LEU A 14 5.886 3.881 2.380 1.00 0.00 C ATOM 215 CG LEU A 14 5.391 4.244 3.782 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.740 3.045 4.456 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.539 4.770 4.628 1.00 0.00 C ATOM 0 H LEU A 14 6.377 3.339 0.005 1.00 0.00 H new ATOM 0 HA LEU A 14 4.291 2.585 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.602 3.064 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.425 4.736 1.972 1.00 0.00 H new ATOM 0 HG LEU A 14 4.640 5.028 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.397 3.329 5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.891 2.710 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.466 2.236 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.172 5.024 5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.310 4.004 4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.959 5.659 4.158 1.00 0.00 H new ATOM 229 N SER A 15 4.069 5.582 0.401 1.00 0.00 N ATOM 230 CA SER A 15 3.120 6.653 0.131 1.00 0.00 C ATOM 231 C SER A 15 1.850 6.097 -0.518 1.00 0.00 C ATOM 232 O SER A 15 0.734 6.474 -0.157 1.00 0.00 O ATOM 233 CB SER A 15 3.770 7.704 -0.767 1.00 0.00 C ATOM 234 OG SER A 15 4.962 8.204 -0.175 1.00 0.00 O ATOM 0 H SER A 15 4.960 5.671 -0.087 1.00 0.00 H new ATOM 0 HA SER A 15 2.838 7.122 1.074 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.997 7.268 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.072 8.524 -0.940 1.00 0.00 H new ATOM 0 HG SER A 15 5.687 7.557 -0.303 1.00 0.00 H new ATOM 240 N LYS A 16 2.034 5.177 -1.457 1.00 0.00 N ATOM 241 CA LYS A 16 0.915 4.531 -2.137 1.00 0.00 C ATOM 242 C LYS A 16 0.177 3.624 -1.144 1.00 0.00 C ATOM 243 O LYS A 16 -1.053 3.606 -1.096 1.00 0.00 O ATOM 244 CB LYS A 16 1.454 3.726 -3.339 1.00 0.00 C ATOM 245 CG LYS A 16 0.493 3.558 -4.522 1.00 0.00 C ATOM 246 CD LYS A 16 -0.711 2.696 -4.179 1.00 0.00 C ATOM 247 CE LYS A 16 -1.653 2.552 -5.367 1.00 0.00 C ATOM 248 NZ LYS A 16 -0.958 2.042 -6.579 1.00 0.00 N ATOM 0 H LYS A 16 2.952 4.859 -1.767 1.00 0.00 H new ATOM 0 HA LYS A 16 0.211 5.275 -2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.360 4.212 -3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.742 2.735 -2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.151 4.540 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.028 3.111 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.374 1.710 -3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.248 3.137 -3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.465 1.874 -5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.104 3.519 -5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.662 1.737 -7.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.369 2.797 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.355 1.235 -6.320 1.00 0.00 H new ATOM 262 N ASN A 17 0.954 2.889 -0.353 1.00 0.00 N ATOM 263 CA ASN A 17 0.435 2.043 0.723 1.00 0.00 C ATOM 264 C ASN A 17 -0.495 2.825 1.646 1.00 0.00 C ATOM 265 O ASN A 17 -1.607 2.385 1.932 1.00 0.00 O ATOM 266 CB ASN A 17 1.610 1.474 1.531 1.00 0.00 C ATOM 267 CG ASN A 17 1.179 0.720 2.782 1.00 0.00 C ATOM 268 OD1 ASN A 17 1.038 -0.596 2.690 1.00 0.00 O flip ATOM 269 ND2 ASN A 17 1.003 1.319 3.839 1.00 0.00 N flip ATOM 0 H ASN A 17 1.970 2.862 -0.440 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.140 1.232 0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.188 0.804 0.894 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.272 2.291 1.819 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.119 2.332 3.877 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.740 0.804 4.679 1.00 0.00 H new ATOM 276 N TYR A 18 -0.038 3.991 2.095 1.00 0.00 N ATOM 277 CA TYR A 18 -0.822 4.812 3.015 1.00 0.00 C ATOM 278 C TYR A 18 -2.150 5.218 2.394 1.00 0.00 C ATOM 279 O TYR A 18 -3.193 5.131 3.039 1.00 0.00 O ATOM 280 CB TYR A 18 -0.051 6.062 3.459 1.00 0.00 C ATOM 281 CG TYR A 18 0.977 5.812 4.545 1.00 0.00 C ATOM 282 CD1 TYR A 18 0.723 4.920 5.585 1.00 0.00 C ATOM 283 CD2 TYR A 18 2.198 6.479 4.540 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.655 4.700 6.579 1.00 0.00 C ATOM 285 CE2 TYR A 18 3.133 6.261 5.533 1.00 0.00 C ATOM 286 CZ TYR A 18 2.857 5.372 6.548 1.00 0.00 C ATOM 287 OH TYR A 18 3.788 5.154 7.537 1.00 0.00 O ATOM 0 H TYR A 18 0.866 4.388 1.839 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.017 4.200 3.896 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.451 6.491 2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.764 6.806 3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.219 4.392 5.614 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.418 7.178 3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.443 4.004 7.377 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.077 6.786 5.514 1.00 0.00 H new ATOM 0 HH TYR A 18 4.581 5.705 7.367 1.00 0.00 H new ATOM 297 N HIS A 19 -2.111 5.644 1.135 1.00 0.00 N ATOM 298 CA HIS A 19 -3.328 6.034 0.434 1.00 0.00 C ATOM 299 C HIS A 19 -4.304 4.867 0.384 1.00 0.00 C ATOM 300 O HIS A 19 -5.506 5.046 0.564 1.00 0.00 O ATOM 301 CB HIS A 19 -3.018 6.522 -0.987 1.00 0.00 C ATOM 302 CG HIS A 19 -4.233 6.981 -1.744 1.00 0.00 C ATOM 303 ND1 HIS A 19 -4.805 8.222 -1.566 1.00 0.00 N ATOM 304 CD2 HIS A 19 -4.991 6.353 -2.675 1.00 0.00 C ATOM 305 CE1 HIS A 19 -5.859 8.338 -2.351 1.00 0.00 C ATOM 306 NE2 HIS A 19 -5.993 7.219 -3.036 1.00 0.00 N ATOM 0 H HIS A 19 -1.257 5.727 0.584 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.783 6.858 0.984 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.303 7.343 -0.932 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.537 5.716 -1.542 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.836 5.356 -3.061 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.503 9.202 -2.421 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -6.723 7.028 -3.723 1.00 0.00 H new ATOM 315 N LEU A 20 -3.778 3.671 0.158 1.00 0.00 N ATOM 316 CA LEU A 20 -4.605 2.478 0.086 1.00 0.00 C ATOM 317 C LEU A 20 -5.237 2.175 1.436 1.00 0.00 C ATOM 318 O LEU A 20 -6.427 1.898 1.514 1.00 0.00 O ATOM 319 CB LEU A 20 -3.787 1.278 -0.382 1.00 0.00 C ATOM 320 CG LEU A 20 -3.175 1.406 -1.772 1.00 0.00 C ATOM 321 CD1 LEU A 20 -2.341 0.179 -2.094 1.00 0.00 C ATOM 322 CD2 LEU A 20 -4.265 1.604 -2.815 1.00 0.00 C ATOM 0 H LEU A 20 -2.781 3.503 0.021 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.397 2.667 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.985 1.105 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.426 0.395 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.523 2.280 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.910 0.283 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.541 0.080 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.973 -0.709 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.812 1.694 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.941 0.749 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.825 2.512 -2.589 1.00 0.00 H new ATOM 334 N GLU A 21 -4.437 2.248 2.495 1.00 0.00 N ATOM 335 CA GLU A 21 -4.919 1.973 3.846 1.00 0.00 C ATOM 336 C GLU A 21 -6.044 2.945 4.209 1.00 0.00 C ATOM 337 O GLU A 21 -7.026 2.568 4.852 1.00 0.00 O ATOM 338 CB GLU A 21 -3.762 2.089 4.849 1.00 0.00 C ATOM 339 CG GLU A 21 -3.717 0.995 5.918 1.00 0.00 C ATOM 340 CD GLU A 21 -4.959 0.956 6.784 1.00 0.00 C ATOM 341 OE1 GLU A 21 -5.796 0.052 6.594 1.00 0.00 O ATOM 342 OE2 GLU A 21 -5.093 1.823 7.676 1.00 0.00 O ATOM 0 H GLU A 21 -3.449 2.496 2.444 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.313 0.957 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.822 2.076 4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.827 3.057 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.589 0.027 5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.844 1.151 6.552 1.00 0.00 H new ATOM 349 N ASN A 22 -5.901 4.194 3.773 1.00 0.00 N ATOM 350 CA ASN A 22 -6.941 5.195 3.973 1.00 0.00 C ATOM 351 C ASN A 22 -8.178 4.866 3.142 1.00 0.00 C ATOM 352 O ASN A 22 -9.305 5.003 3.619 1.00 0.00 O ATOM 353 CB ASN A 22 -6.438 6.599 3.621 1.00 0.00 C ATOM 354 CG ASN A 22 -5.563 7.206 4.701 1.00 0.00 C ATOM 355 OD1 ASN A 22 -6.180 7.908 5.639 1.00 0.00 O flip ATOM 356 ND2 ASN A 22 -4.341 7.052 4.693 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.076 4.535 3.280 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.209 5.179 5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.875 6.554 2.689 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.293 7.251 3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.901 6.504 3.954 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.769 7.472 5.426 1.00 0.00 H new ATOM 363 N GLU A 23 -7.964 4.432 1.902 1.00 0.00 N ATOM 364 CA GLU A 23 -9.065 4.049 1.020 1.00 0.00 C ATOM 365 C GLU A 23 -9.811 2.843 1.575 1.00 0.00 C ATOM 366 O GLU A 23 -11.037 2.776 1.487 1.00 0.00 O ATOM 367 CB GLU A 23 -8.553 3.740 -0.391 1.00 0.00 C ATOM 368 CG GLU A 23 -8.079 4.967 -1.147 1.00 0.00 C ATOM 369 CD GLU A 23 -9.200 5.942 -1.433 1.00 0.00 C ATOM 370 OE1 GLU A 23 -9.883 5.777 -2.464 1.00 0.00 O ATOM 371 OE2 GLU A 23 -9.400 6.884 -0.640 1.00 0.00 O ATOM 0 H GLU A 23 -7.038 4.337 1.485 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.754 4.892 0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.732 3.026 -0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.348 3.258 -0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.304 5.469 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.623 4.657 -2.087 1.00 0.00 H new ATOM 378 N VAL A 24 -9.071 1.898 2.145 1.00 0.00 N ATOM 379 CA VAL A 24 -9.677 0.721 2.750 1.00 0.00 C ATOM 380 C VAL A 24 -10.672 1.138 3.836 1.00 0.00 C ATOM 381 O VAL A 24 -11.855 0.806 3.770 1.00 0.00 O ATOM 382 CB VAL A 24 -8.620 -0.233 3.354 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.288 -1.394 4.075 1.00 0.00 C ATOM 384 CG2 VAL A 24 -7.692 -0.758 2.269 1.00 0.00 C ATOM 0 H VAL A 24 -8.053 1.925 2.200 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.198 0.183 1.958 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.031 0.331 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.525 -2.051 4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.915 -1.010 4.880 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.904 -1.954 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.955 -1.427 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.274 -1.301 1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.181 0.078 1.791 1.00 0.00 H new ATOM 394 N ALA A 25 -10.184 1.888 4.821 1.00 0.00 N ATOM 395 CA ALA A 25 -11.030 2.401 5.900 1.00 0.00 C ATOM 396 C ALA A 25 -12.200 3.222 5.352 1.00 0.00 C ATOM 397 O ALA A 25 -13.339 3.084 5.805 1.00 0.00 O ATOM 398 CB ALA A 25 -10.200 3.245 6.853 1.00 0.00 C ATOM 0 H ALA A 25 -9.203 2.156 4.896 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.444 1.548 6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.837 3.623 7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.404 2.635 7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.763 4.083 6.310 1.00 0.00 H new ATOM 404 N ARG A 26 -11.896 4.072 4.378 1.00 0.00 N ATOM 405 CA ARG A 26 -12.884 4.900 3.698 1.00 0.00 C ATOM 406 C ARG A 26 -14.031 4.050 3.164 1.00 0.00 C ATOM 407 O ARG A 26 -15.185 4.227 3.549 1.00 0.00 O ATOM 408 CB ARG A 26 -12.192 5.639 2.549 1.00 0.00 C ATOM 409 CG ARG A 26 -13.115 6.406 1.619 1.00 0.00 C ATOM 410 CD ARG A 26 -12.320 7.015 0.475 1.00 0.00 C ATOM 411 NE ARG A 26 -13.154 7.773 -0.453 1.00 0.00 N ATOM 412 CZ ARG A 26 -12.677 8.442 -1.503 1.00 0.00 C ATOM 413 NH1 ARG A 26 -11.383 8.394 -1.799 1.00 0.00 N ATOM 414 NH2 ARG A 26 -13.500 9.139 -2.276 1.00 0.00 N ATOM 0 H ARG A 26 -10.945 4.207 4.034 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.304 5.616 4.404 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.468 6.336 2.971 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.630 4.914 1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.882 5.739 1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.630 7.191 2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.550 7.670 0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.808 6.221 -0.069 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.160 7.792 -0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.748 7.843 -1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.024 8.908 -2.604 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.498 9.163 -2.067 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.135 9.651 -3.079 1.00 0.00 H new ATOM 428 N LEU A 27 -13.694 3.109 2.302 1.00 0.00 N ATOM 429 CA LEU A 27 -14.686 2.266 1.656 1.00 0.00 C ATOM 430 C LEU A 27 -15.462 1.420 2.663 1.00 0.00 C ATOM 431 O LEU A 27 -16.625 1.093 2.432 1.00 0.00 O ATOM 432 CB LEU A 27 -14.007 1.383 0.613 1.00 0.00 C ATOM 433 CG LEU A 27 -13.494 2.137 -0.609 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.569 1.262 -1.426 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.655 2.624 -1.462 1.00 0.00 C ATOM 0 H LEU A 27 -12.732 2.907 2.030 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.412 2.913 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.171 0.864 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.713 0.620 0.285 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.931 3.004 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.214 1.818 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.718 0.961 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.108 0.375 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.270 3.160 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.245 1.770 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.284 3.292 -0.873 1.00 0.00 H new ATOM 447 N LYS A 28 -14.839 1.100 3.791 1.00 0.00 N ATOM 448 CA LYS A 28 -15.489 0.291 4.810 1.00 0.00 C ATOM 449 C LYS A 28 -16.677 1.030 5.404 1.00 0.00 C ATOM 450 O LYS A 28 -17.768 0.471 5.524 1.00 0.00 O ATOM 451 CB LYS A 28 -14.506 -0.105 5.913 1.00 0.00 C ATOM 452 CG LYS A 28 -13.544 -1.200 5.492 1.00 0.00 C ATOM 453 CD LYS A 28 -12.671 -1.658 6.652 1.00 0.00 C ATOM 454 CE LYS A 28 -11.942 -2.960 6.338 1.00 0.00 C ATOM 455 NZ LYS A 28 -11.252 -3.503 7.538 1.00 0.00 N ATOM 0 H LYS A 28 -13.888 1.388 4.021 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.847 -0.621 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.936 0.774 6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.066 -0.438 6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.106 -2.049 5.102 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.912 -0.837 4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.942 -0.882 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.289 -1.793 7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.654 -3.695 5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.214 -2.788 5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.767 -4.388 7.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.555 -2.811 7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.951 -3.690 8.285 1.00 0.00 H new ATOM 469 N LYS A 29 -16.477 2.291 5.766 1.00 0.00 N ATOM 470 CA LYS A 29 -17.579 3.086 6.292 1.00 0.00 C ATOM 471 C LYS A 29 -18.510 3.575 5.171 1.00 0.00 C ATOM 472 O LYS A 29 -19.545 4.176 5.441 1.00 0.00 O ATOM 473 CB LYS A 29 -17.058 4.267 7.114 1.00 0.00 C ATOM 474 CG LYS A 29 -16.302 5.310 6.312 1.00 0.00 C ATOM 475 CD LYS A 29 -15.748 6.388 7.224 1.00 0.00 C ATOM 476 CE LYS A 29 -15.178 7.558 6.442 1.00 0.00 C ATOM 477 NZ LYS A 29 -16.234 8.326 5.728 1.00 0.00 N ATOM 0 H LYS A 29 -15.582 2.777 5.707 1.00 0.00 H new ATOM 0 HA LYS A 29 -18.162 2.440 6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.901 4.749 7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.404 3.886 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.488 4.835 5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.965 5.758 5.572 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.538 6.744 7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.970 5.962 7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.646 8.222 7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.449 7.190 5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.845 9.236 5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.563 7.782 4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.033 8.498 6.371 1.00 0.00 H new ATOM 491 N LEU A 30 -18.147 3.305 3.918 1.00 0.00 N ATOM 492 CA LEU A 30 -18.950 3.756 2.776 1.00 0.00 C ATOM 493 C LEU A 30 -19.954 2.703 2.286 1.00 0.00 C ATOM 494 O LEU A 30 -20.961 3.061 1.673 1.00 0.00 O ATOM 495 CB LEU A 30 -18.045 4.185 1.616 1.00 0.00 C ATOM 496 CG LEU A 30 -17.833 5.697 1.460 1.00 0.00 C ATOM 497 CD1 LEU A 30 -19.139 6.381 1.092 1.00 0.00 C ATOM 498 CD2 LEU A 30 -17.262 6.305 2.731 1.00 0.00 C ATOM 0 H LEU A 30 -17.309 2.781 3.666 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.528 4.609 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -17.072 3.712 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -18.467 3.798 0.688 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.114 5.853 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -18.971 7.453 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -19.509 5.976 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -19.875 6.206 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -17.122 7.377 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -17.951 6.134 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -16.302 5.841 2.957 1.00 0.00 H new ATOM 510 N VAL A 31 -19.699 1.420 2.550 1.00 0.00 N ATOM 511 CA VAL A 31 -20.589 0.350 2.089 1.00 0.00 C ATOM 512 C VAL A 31 -21.966 0.415 2.761 1.00 0.00 C ATOM 513 O VAL A 31 -22.907 -0.250 2.323 1.00 0.00 O ATOM 514 CB VAL A 31 -19.995 -1.059 2.348 1.00 0.00 C ATOM 515 CG1 VAL A 31 -18.605 -1.206 1.753 1.00 0.00 C ATOM 516 CG2 VAL A 31 -19.971 -1.366 3.829 1.00 0.00 C ATOM 0 H VAL A 31 -18.888 1.097 3.078 1.00 0.00 H new ATOM 0 HA VAL A 31 -20.697 0.509 1.016 1.00 0.00 H new ATOM 0 HB VAL A 31 -20.644 -1.780 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -18.226 -2.207 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -18.652 -1.049 0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -17.938 -0.468 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.551 -2.359 3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.359 -0.626 4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -20.987 -1.335 4.224 1.00 0.00 H new ATOM 526 N GLY A 32 -22.081 1.210 3.818 1.00 0.00 N ATOM 527 CA GLY A 32 -23.325 1.290 4.555 1.00 0.00 C ATOM 528 C GLY A 32 -23.108 1.081 6.036 1.00 0.00 C ATOM 529 O GLY A 32 -23.631 0.132 6.624 1.00 0.00 O ATOM 0 H GLY A 32 -21.332 1.802 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -23.786 2.264 4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -24.020 0.540 4.179 1.00 0.00 H new ATOM 533 N GLU A 33 -22.325 1.957 6.641 1.00 0.00 N ATOM 534 CA GLU A 33 -22.003 1.840 8.051 1.00 0.00 C ATOM 535 C GLU A 33 -22.625 2.994 8.827 1.00 0.00 C ATOM 536 O GLU A 33 -22.012 4.079 8.873 1.00 0.00 O ATOM 537 CB GLU A 33 -20.485 1.824 8.247 1.00 0.00 C ATOM 538 CG GLU A 33 -20.053 1.334 9.619 1.00 0.00 C ATOM 539 CD GLU A 33 -20.441 -0.110 9.862 1.00 0.00 C ATOM 540 OE1 GLU A 33 -19.698 -1.011 9.417 1.00 0.00 O ATOM 541 OE2 GLU A 33 -21.492 -0.354 10.490 1.00 0.00 O ATOM 542 OXT GLU A 33 -23.735 2.819 9.370 1.00 0.00 O ATOM 0 H GLU A 33 -21.900 2.759 6.176 1.00 0.00 H new ATOM 0 HA GLU A 33 -22.412 0.903 8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -20.036 1.187 7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.096 2.830 8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.972 1.439 9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -20.505 1.963 10.386 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 25.114 1.797 6.184 1.00 0.00 N ATOM 551 CA GLY B 1 24.975 0.359 5.852 1.00 0.00 C ATOM 552 C GLY B 1 23.538 -0.103 5.938 1.00 0.00 C ATOM 553 O GLY B 1 22.618 0.698 5.786 1.00 0.00 O ATOM 0 H1 GLY B 1 25.791 2.240 5.531 1.00 0.00 H new ATOM 0 H2 GLY B 1 24.189 2.265 6.095 1.00 0.00 H new ATOM 0 H3 GLY B 1 25.459 1.896 7.160 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.354 0.180 4.846 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.588 -0.232 6.533 1.00 0.00 H new ATOM 559 N SER B 2 23.354 -1.398 6.179 1.00 0.00 N ATOM 560 CA SER B 2 22.029 -1.992 6.320 1.00 0.00 C ATOM 561 C SER B 2 21.220 -1.877 5.030 1.00 0.00 C ATOM 562 O SER B 2 20.009 -1.656 5.057 1.00 0.00 O ATOM 563 CB SER B 2 21.277 -1.342 7.483 1.00 0.00 C ATOM 564 OG SER B 2 22.005 -1.483 8.693 1.00 0.00 O ATOM 0 H SER B 2 24.119 -2.065 6.282 1.00 0.00 H new ATOM 0 HA SER B 2 22.161 -3.053 6.532 1.00 0.00 H new ATOM 0 HB2 SER B 2 21.114 -0.285 7.272 1.00 0.00 H new ATOM 0 HB3 SER B 2 20.294 -1.801 7.589 1.00 0.00 H new ATOM 0 HG SER B 2 21.442 -1.922 9.364 1.00 0.00 H new ATOM 570 N MET B 3 21.894 -2.057 3.899 1.00 0.00 N ATOM 571 CA MET B 3 21.228 -2.036 2.604 1.00 0.00 C ATOM 572 C MET B 3 20.202 -3.162 2.531 1.00 0.00 C ATOM 573 O MET B 3 19.128 -3.007 1.950 1.00 0.00 O ATOM 574 CB MET B 3 22.256 -2.174 1.478 1.00 0.00 C ATOM 575 CG MET B 3 21.647 -2.214 0.088 1.00 0.00 C ATOM 576 SD MET B 3 22.891 -2.386 -1.205 1.00 0.00 S ATOM 577 CE MET B 3 21.850 -2.499 -2.659 1.00 0.00 C ATOM 0 H MET B 3 22.900 -2.219 3.854 1.00 0.00 H new ATOM 0 HA MET B 3 20.712 -1.083 2.484 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.955 -1.339 1.534 1.00 0.00 H new ATOM 0 HB3 MET B 3 22.834 -3.085 1.637 1.00 0.00 H new ATOM 0 HG2 MET B 3 20.945 -3.046 0.026 1.00 0.00 H new ATOM 0 HG3 MET B 3 21.075 -1.302 -0.081 1.00 0.00 H new ATOM 0 HE1 MET B 3 22.461 -2.751 -3.526 1.00 0.00 H new ATOM 0 HE2 MET B 3 21.098 -3.273 -2.508 1.00 0.00 H new ATOM 0 HE3 MET B 3 21.357 -1.542 -2.829 1.00 0.00 H new ATOM 587 N LYS B 4 20.534 -4.288 3.154 1.00 0.00 N ATOM 588 CA LYS B 4 19.624 -5.427 3.205 1.00 0.00 C ATOM 589 C LYS B 4 18.367 -5.101 4.020 1.00 0.00 C ATOM 590 O LYS B 4 17.311 -5.690 3.792 1.00 0.00 O ATOM 591 CB LYS B 4 20.315 -6.674 3.784 1.00 0.00 C ATOM 592 CG LYS B 4 20.692 -6.567 5.260 1.00 0.00 C ATOM 593 CD LYS B 4 22.070 -5.954 5.469 1.00 0.00 C ATOM 594 CE LYS B 4 23.174 -6.873 4.966 1.00 0.00 C ATOM 595 NZ LYS B 4 24.524 -6.340 5.281 1.00 0.00 N ATOM 0 H LYS B 4 21.424 -4.436 3.630 1.00 0.00 H new ATOM 0 HA LYS B 4 19.327 -5.642 2.179 1.00 0.00 H new ATOM 0 HB2 LYS B 4 19.656 -7.532 3.653 1.00 0.00 H new ATOM 0 HB3 LYS B 4 21.217 -6.874 3.206 1.00 0.00 H new ATOM 0 HG2 LYS B 4 19.947 -5.963 5.779 1.00 0.00 H new ATOM 0 HG3 LYS B 4 20.668 -7.559 5.710 1.00 0.00 H new ATOM 0 HD2 LYS B 4 22.126 -4.998 4.949 1.00 0.00 H new ATOM 0 HD3 LYS B 4 22.221 -5.749 6.529 1.00 0.00 H new ATOM 0 HE2 LYS B 4 23.059 -7.859 5.416 1.00 0.00 H new ATOM 0 HE3 LYS B 4 23.077 -7.001 3.888 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 25.248 -6.995 4.922 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 24.644 -5.410 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 24.627 -6.241 6.311 1.00 0.00 H new ATOM 609 N GLN B 5 18.474 -4.154 4.954 1.00 0.00 N ATOM 610 CA GLN B 5 17.332 -3.782 5.779 1.00 0.00 C ATOM 611 C GLN B 5 16.381 -2.884 5.000 1.00 0.00 C ATOM 612 O GLN B 5 15.191 -2.811 5.305 1.00 0.00 O ATOM 613 CB GLN B 5 17.774 -3.097 7.077 1.00 0.00 C ATOM 614 CG GLN B 5 18.522 -4.018 8.033 1.00 0.00 C ATOM 615 CD GLN B 5 18.539 -3.494 9.457 1.00 0.00 C ATOM 616 OE1 GLN B 5 19.585 -2.775 9.822 1.00 0.00 O flip ATOM 617 NE2 GLN B 5 17.625 -3.757 10.236 1.00 0.00 N flip ATOM 0 H GLN B 5 19.331 -3.638 5.154 1.00 0.00 H new ATOM 0 HA GLN B 5 16.807 -4.698 6.050 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.412 -2.249 6.830 1.00 0.00 H new ATOM 0 HB3 GLN B 5 16.895 -2.698 7.584 1.00 0.00 H new ATOM 0 HG2 GLN B 5 18.058 -5.004 8.019 1.00 0.00 H new ATOM 0 HG3 GLN B 5 19.547 -4.143 7.684 1.00 0.00 H new ATOM 0 HE21 GLN B 5 16.831 -4.315 9.921 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.660 -3.417 11.197 1.00 0.00 H new ATOM 626 N LEU B 6 16.909 -2.208 3.984 1.00 0.00 N ATOM 627 CA LEU B 6 16.071 -1.419 3.088 1.00 0.00 C ATOM 628 C LEU B 6 15.190 -2.349 2.270 1.00 0.00 C ATOM 629 O LEU B 6 14.025 -2.051 2.009 1.00 0.00 O ATOM 630 CB LEU B 6 16.905 -0.533 2.152 1.00 0.00 C ATOM 631 CG LEU B 6 17.728 0.562 2.832 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.452 1.397 1.792 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.839 1.442 3.694 1.00 0.00 C ATOM 0 H LEU B 6 17.904 -2.190 3.762 1.00 0.00 H new ATOM 0 HA LEU B 6 15.455 -0.760 3.699 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.583 -1.172 1.586 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.234 -0.063 1.433 1.00 0.00 H new ATOM 0 HG LEU B 6 18.468 0.088 3.477 1.00 0.00 H new ATOM 0 HD11 LEU B 6 19.034 2.173 2.289 1.00 0.00 H new ATOM 0 HD12 LEU B 6 19.119 0.758 1.212 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.724 1.860 1.126 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.443 2.215 4.169 1.00 0.00 H new ATOM 0 HD22 LEU B 6 16.076 1.909 3.071 1.00 0.00 H new ATOM 0 HD23 LEU B 6 16.359 0.834 4.461 1.00 0.00 H new ATOM 645 N GLU B 7 15.755 -3.492 1.894 1.00 0.00 N ATOM 646 CA GLU B 7 15.017 -4.515 1.169 1.00 0.00 C ATOM 647 C GLU B 7 13.861 -5.037 2.007 1.00 0.00 C ATOM 648 O GLU B 7 12.768 -5.252 1.492 1.00 0.00 O ATOM 649 CB GLU B 7 15.946 -5.662 0.779 1.00 0.00 C ATOM 650 CG GLU B 7 16.874 -5.324 -0.374 1.00 0.00 C ATOM 651 CD GLU B 7 16.137 -5.237 -1.695 1.00 0.00 C ATOM 652 OE1 GLU B 7 15.403 -4.259 -1.912 1.00 0.00 O ATOM 653 OE2 GLU B 7 16.296 -6.155 -2.527 1.00 0.00 O ATOM 0 H GLU B 7 16.728 -3.732 2.082 1.00 0.00 H new ATOM 0 HA GLU B 7 14.611 -4.068 0.262 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.544 -5.945 1.645 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.345 -6.530 0.509 1.00 0.00 H new ATOM 0 HG2 GLU B 7 17.369 -4.374 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU B 7 17.654 -6.082 -0.444 1.00 0.00 H new ATOM 660 N ASP B 8 14.102 -5.223 3.304 1.00 0.00 N ATOM 661 CA ASP B 8 13.062 -5.695 4.215 1.00 0.00 C ATOM 662 C ASP B 8 11.837 -4.799 4.128 1.00 0.00 C ATOM 663 O ASP B 8 10.712 -5.279 3.996 1.00 0.00 O ATOM 664 CB ASP B 8 13.562 -5.738 5.661 1.00 0.00 C ATOM 665 CG ASP B 8 14.637 -6.782 5.884 1.00 0.00 C ATOM 666 OD1 ASP B 8 14.422 -7.956 5.511 1.00 0.00 O ATOM 667 OD2 ASP B 8 15.693 -6.441 6.453 1.00 0.00 O ATOM 0 H ASP B 8 15.006 -5.054 3.746 1.00 0.00 H new ATOM 0 HA ASP B 8 12.795 -6.708 3.913 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.953 -4.758 5.934 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.722 -5.942 6.324 1.00 0.00 H new ATOM 672 N LYS B 9 12.074 -3.493 4.211 1.00 0.00 N ATOM 673 CA LYS B 9 11.005 -2.494 4.027 1.00 0.00 C ATOM 674 C LYS B 9 10.257 -2.723 2.725 1.00 0.00 C ATOM 675 O LYS B 9 9.039 -2.892 2.719 1.00 0.00 O ATOM 676 CB LYS B 9 11.542 -1.066 3.966 1.00 0.00 C ATOM 677 CG LYS B 9 12.635 -0.749 4.973 1.00 0.00 C ATOM 678 CD LYS B 9 13.014 0.721 4.908 1.00 0.00 C ATOM 679 CE LYS B 9 14.035 1.096 5.965 1.00 0.00 C ATOM 680 NZ LYS B 9 14.388 2.539 5.899 1.00 0.00 N ATOM 0 H LYS B 9 12.993 -3.094 4.404 1.00 0.00 H new ATOM 0 HA LYS B 9 10.351 -2.614 4.891 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.927 -0.881 2.963 1.00 0.00 H new ATOM 0 HB3 LYS B 9 10.714 -0.375 4.122 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.294 -0.998 5.978 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.511 -1.365 4.772 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.416 0.948 3.920 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.120 1.331 5.036 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.639 0.863 6.953 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.934 0.495 5.832 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.088 2.759 6.636 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 14.789 2.756 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 13.534 3.113 6.051 1.00 0.00 H new ATOM 694 N VAL B 10 11.010 -2.719 1.626 1.00 0.00 N ATOM 695 CA VAL B 10 10.444 -2.791 0.283 1.00 0.00 C ATOM 696 C VAL B 10 9.560 -4.016 0.168 1.00 0.00 C ATOM 697 O VAL B 10 8.436 -3.953 -0.326 1.00 0.00 O ATOM 698 CB VAL B 10 11.539 -2.869 -0.801 1.00 0.00 C ATOM 699 CG1 VAL B 10 10.911 -2.913 -2.185 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.496 -1.695 -0.687 1.00 0.00 C ATOM 0 H VAL B 10 12.028 -2.666 1.643 1.00 0.00 H new ATOM 0 HA VAL B 10 9.866 -1.881 0.124 1.00 0.00 H new ATOM 0 HB VAL B 10 12.108 -3.786 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.696 -2.968 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.269 -3.790 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.317 -2.013 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.259 -1.771 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL B 10 11.945 -0.763 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL B 10 12.972 -1.707 0.294 1.00 0.00 H new ATOM 710 N GLU B 11 10.082 -5.119 0.668 1.00 0.00 N ATOM 711 CA GLU B 11 9.378 -6.395 0.607 1.00 0.00 C ATOM 712 C GLU B 11 8.134 -6.394 1.499 1.00 0.00 C ATOM 713 O GLU B 11 7.053 -6.799 1.061 1.00 0.00 O ATOM 714 CB GLU B 11 10.304 -7.547 1.004 1.00 0.00 C ATOM 715 CG GLU B 11 11.558 -7.652 0.148 1.00 0.00 C ATOM 716 CD GLU B 11 11.266 -7.664 -1.339 1.00 0.00 C ATOM 717 OE1 GLU B 11 11.837 -6.825 -2.070 1.00 0.00 O ATOM 718 OE2 GLU B 11 10.468 -8.512 -1.790 1.00 0.00 O ATOM 0 H GLU B 11 10.994 -5.162 1.123 1.00 0.00 H new ATOM 0 HA GLU B 11 9.057 -6.538 -0.425 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.597 -7.422 2.047 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.751 -8.484 0.938 1.00 0.00 H new ATOM 0 HG2 GLU B 11 12.217 -6.814 0.376 1.00 0.00 H new ATOM 0 HG3 GLU B 11 12.096 -8.562 0.413 1.00 0.00 H new ATOM 725 N GLU B 12 8.283 -5.941 2.743 1.00 0.00 N ATOM 726 CA GLU B 12 7.167 -5.922 3.688 1.00 0.00 C ATOM 727 C GLU B 12 6.054 -4.990 3.211 1.00 0.00 C ATOM 728 O GLU B 12 4.924 -5.420 2.960 1.00 0.00 O ATOM 729 CB GLU B 12 7.655 -5.473 5.067 1.00 0.00 C ATOM 730 CG GLU B 12 6.562 -5.439 6.122 1.00 0.00 C ATOM 731 CD GLU B 12 7.041 -4.862 7.436 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.691 -5.593 8.213 1.00 0.00 O ATOM 733 OE2 GLU B 12 6.768 -3.673 7.700 1.00 0.00 O ATOM 0 H GLU B 12 9.161 -5.584 3.119 1.00 0.00 H new ATOM 0 HA GLU B 12 6.765 -6.933 3.753 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.447 -6.145 5.399 1.00 0.00 H new ATOM 0 HB3 GLU B 12 8.095 -4.480 4.981 1.00 0.00 H new ATOM 0 HG2 GLU B 12 5.724 -4.847 5.753 1.00 0.00 H new ATOM 0 HG3 GLU B 12 6.190 -6.450 6.287 1.00 0.00 H new ATOM 740 N LEU B 13 6.394 -3.714 3.092 1.00 0.00 N ATOM 741 CA LEU B 13 5.451 -2.671 2.699 1.00 0.00 C ATOM 742 C LEU B 13 4.719 -3.006 1.402 1.00 0.00 C ATOM 743 O LEU B 13 3.525 -2.757 1.290 1.00 0.00 O ATOM 744 CB LEU B 13 6.179 -1.334 2.548 1.00 0.00 C ATOM 745 CG LEU B 13 6.876 -0.829 3.813 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.632 0.457 3.525 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.867 -0.618 4.932 1.00 0.00 C ATOM 0 H LEU B 13 7.338 -3.369 3.266 1.00 0.00 H new ATOM 0 HA LEU B 13 4.704 -2.601 3.489 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.922 -1.430 1.756 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.461 -0.581 2.222 1.00 0.00 H new ATOM 0 HG LEU B 13 7.592 -1.584 4.137 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.122 0.803 4.435 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.383 0.273 2.756 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.935 1.219 3.177 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.382 -0.259 5.823 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.126 0.118 4.620 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.369 -1.562 5.156 1.00 0.00 H new ATOM 759 N LEU B 14 5.432 -3.563 0.427 1.00 0.00 N ATOM 760 CA LEU B 14 4.835 -3.911 -0.858 1.00 0.00 C ATOM 761 C LEU B 14 3.805 -5.027 -0.700 1.00 0.00 C ATOM 762 O LEU B 14 2.736 -4.976 -1.303 1.00 0.00 O ATOM 763 CB LEU B 14 5.915 -4.319 -1.870 1.00 0.00 C ATOM 764 CG LEU B 14 5.407 -4.680 -3.267 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.744 -3.483 -3.930 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.550 -5.200 -4.126 1.00 0.00 C ATOM 0 H LEU B 14 6.425 -3.783 0.503 1.00 0.00 H new ATOM 0 HA LEU B 14 4.324 -3.026 -1.237 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.629 -3.501 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.460 -5.174 -1.469 1.00 0.00 H new ATOM 0 HG LEU B 14 4.660 -5.467 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.391 -3.766 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.899 -3.153 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.465 -2.671 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.174 -5.453 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.318 -4.431 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU B 14 6.978 -6.089 -3.663 1.00 0.00 H new ATOM 778 N SER B 15 4.120 -6.029 0.116 1.00 0.00 N ATOM 779 CA SER B 15 3.177 -7.104 0.391 1.00 0.00 C ATOM 780 C SER B 15 1.911 -6.554 1.053 1.00 0.00 C ATOM 781 O SER B 15 0.792 -6.932 0.699 1.00 0.00 O ATOM 782 CB SER B 15 3.839 -8.155 1.282 1.00 0.00 C ATOM 783 OG SER B 15 5.033 -8.641 0.683 1.00 0.00 O ATOM 0 H SER B 15 5.016 -6.117 0.595 1.00 0.00 H new ATOM 0 HA SER B 15 2.888 -7.571 -0.551 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.065 -7.723 2.257 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.149 -8.981 1.452 1.00 0.00 H new ATOM 0 HG SER B 15 5.740 -7.969 0.771 1.00 0.00 H new ATOM 789 N LYS B 16 2.102 -5.638 1.996 1.00 0.00 N ATOM 790 CA LYS B 16 0.990 -4.998 2.688 1.00 0.00 C ATOM 791 C LYS B 16 0.236 -4.092 1.709 1.00 0.00 C ATOM 792 O LYS B 16 -0.994 -4.077 1.674 1.00 0.00 O ATOM 793 CB LYS B 16 1.538 -4.196 3.888 1.00 0.00 C ATOM 794 CG LYS B 16 0.589 -4.035 5.079 1.00 0.00 C ATOM 795 CD LYS B 16 -0.621 -3.179 4.753 1.00 0.00 C ATOM 796 CE LYS B 16 -1.552 -3.042 5.949 1.00 0.00 C ATOM 797 NZ LYS B 16 -0.848 -2.542 7.158 1.00 0.00 N ATOM 0 H LYS B 16 3.023 -5.321 2.300 1.00 0.00 H new ATOM 0 HA LYS B 16 0.292 -5.747 3.063 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.449 -4.681 4.238 1.00 0.00 H new ATOM 0 HB3 LYS B 16 1.820 -3.203 3.537 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.255 -5.019 5.407 1.00 0.00 H new ATOM 0 HG3 LYS B 16 1.131 -3.588 5.912 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -0.292 -2.190 4.433 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -1.164 -3.620 3.917 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -2.365 -2.361 5.697 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -2.003 -4.010 6.168 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -1.547 -2.241 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -0.257 -3.301 7.554 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -0.246 -1.734 6.900 1.00 0.00 H new ATOM 811 N ASN B 17 1.003 -3.351 0.911 1.00 0.00 N ATOM 812 CA ASN B 17 0.472 -2.503 -0.157 1.00 0.00 C ATOM 813 C ASN B 17 -0.464 -3.287 -1.073 1.00 0.00 C ATOM 814 O ASN B 17 -1.581 -2.852 -1.345 1.00 0.00 O ATOM 815 CB ASN B 17 1.637 -1.927 -0.973 1.00 0.00 C ATOM 816 CG ASN B 17 1.191 -1.173 -2.216 1.00 0.00 C ATOM 817 OD1 ASN B 17 1.041 0.145 -2.120 1.00 0.00 O flip ATOM 818 ND2 ASN B 17 1.007 -1.773 -3.272 1.00 0.00 N flip ATOM 0 H ASN B 17 2.020 -3.322 0.988 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.101 -1.694 0.296 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.218 -1.256 -0.340 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.300 -2.740 -1.269 1.00 0.00 H new ATOM 0 HD21 ASN B 17 1.131 -2.785 -3.312 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.731 -1.259 -4.109 1.00 0.00 H new ATOM 825 N TYR B 18 -0.006 -4.448 -1.531 1.00 0.00 N ATOM 826 CA TYR B 18 -0.795 -5.270 -2.447 1.00 0.00 C ATOM 827 C TYR B 18 -2.114 -5.681 -1.812 1.00 0.00 C ATOM 828 O TYR B 18 -3.167 -5.590 -2.445 1.00 0.00 O ATOM 829 CB TYR B 18 -0.024 -6.517 -2.901 1.00 0.00 C ATOM 830 CG TYR B 18 0.991 -6.260 -3.998 1.00 0.00 C ATOM 831 CD1 TYR B 18 0.719 -5.366 -5.033 1.00 0.00 C ATOM 832 CD2 TYR B 18 2.217 -6.918 -4.006 1.00 0.00 C ATOM 833 CE1 TYR B 18 1.640 -5.135 -6.035 1.00 0.00 C ATOM 834 CE2 TYR B 18 3.140 -6.690 -5.008 1.00 0.00 C ATOM 835 CZ TYR B 18 2.848 -5.798 -6.018 1.00 0.00 C ATOM 836 OH TYR B 18 3.768 -5.566 -7.016 1.00 0.00 O ATOM 0 H TYR B 18 0.903 -4.841 -1.285 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.000 -4.659 -3.326 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.490 -6.945 -2.040 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.737 -7.263 -3.250 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.227 -4.846 -5.051 1.00 0.00 H new ATOM 0 HD2 TYR B 18 2.450 -7.617 -3.217 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.415 -4.438 -6.829 1.00 0.00 H new ATOM 0 HE2 TYR B 18 4.087 -7.209 -5.000 1.00 0.00 H new ATOM 0 HH TYR B 18 4.567 -6.111 -6.857 1.00 0.00 H new ATOM 846 N HIS B 19 -2.064 -6.115 -0.556 1.00 0.00 N ATOM 847 CA HIS B 19 -3.273 -6.512 0.153 1.00 0.00 C ATOM 848 C HIS B 19 -4.255 -5.350 0.217 1.00 0.00 C ATOM 849 O HIS B 19 -5.455 -5.535 0.049 1.00 0.00 O ATOM 850 CB HIS B 19 -2.949 -7.004 1.569 1.00 0.00 C ATOM 851 CG HIS B 19 -4.156 -7.471 2.332 1.00 0.00 C ATOM 852 ND1 HIS B 19 -4.724 -8.713 2.157 1.00 0.00 N ATOM 853 CD2 HIS B 19 -4.906 -6.849 3.275 1.00 0.00 C ATOM 854 CE1 HIS B 19 -5.769 -8.836 2.953 1.00 0.00 C ATOM 855 NE2 HIS B 19 -5.900 -7.720 3.642 1.00 0.00 N ATOM 0 H HIS B 19 -1.205 -6.200 -0.013 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.729 -7.335 -0.398 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.231 -7.821 1.506 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -2.468 -6.199 2.124 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -4.750 -5.854 3.664 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -6.408 -9.703 3.027 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -6.624 -7.534 4.336 1.00 0.00 H new ATOM 864 N LEU B 20 -3.731 -4.152 0.442 1.00 0.00 N ATOM 865 CA LEU B 20 -4.563 -2.962 0.526 1.00 0.00 C ATOM 866 C LEU B 20 -5.207 -2.658 -0.819 1.00 0.00 C ATOM 867 O LEU B 20 -6.399 -2.384 -0.885 1.00 0.00 O ATOM 868 CB LEU B 20 -3.747 -1.759 0.992 1.00 0.00 C ATOM 869 CG LEU B 20 -3.120 -1.890 2.377 1.00 0.00 C ATOM 870 CD1 LEU B 20 -2.289 -0.660 2.697 1.00 0.00 C ATOM 871 CD2 LEU B 20 -4.198 -2.096 3.428 1.00 0.00 C ATOM 0 H LEU B 20 -2.734 -3.980 0.569 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.348 -3.157 1.257 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.953 -1.578 0.268 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.391 -0.880 0.985 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.464 -2.760 2.383 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.848 -0.767 3.688 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.496 -0.554 1.956 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.926 0.225 2.677 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.735 -2.188 4.411 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.877 -1.243 3.425 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.756 -3.005 3.203 1.00 0.00 H new ATOM 883 N GLU B 21 -4.418 -2.723 -1.886 1.00 0.00 N ATOM 884 CA GLU B 21 -4.916 -2.446 -3.233 1.00 0.00 C ATOM 885 C GLU B 21 -6.039 -3.424 -3.585 1.00 0.00 C ATOM 886 O GLU B 21 -7.027 -3.057 -4.224 1.00 0.00 O ATOM 887 CB GLU B 21 -3.768 -2.556 -4.249 1.00 0.00 C ATOM 888 CG GLU B 21 -3.737 -1.461 -5.317 1.00 0.00 C ATOM 889 CD GLU B 21 -4.989 -1.413 -6.166 1.00 0.00 C ATOM 890 OE1 GLU B 21 -5.807 -0.489 -5.980 1.00 0.00 O ATOM 891 OE2 GLU B 21 -5.155 -2.293 -7.035 1.00 0.00 O ATOM 0 H GLU B 21 -3.428 -2.966 -1.846 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.314 -1.432 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.822 -2.540 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.835 -3.524 -4.746 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.599 -0.495 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.874 -1.619 -5.964 1.00 0.00 H new ATOM 898 N ASN B 22 -5.887 -4.670 -3.151 1.00 0.00 N ATOM 899 CA ASN B 22 -6.927 -5.676 -3.344 1.00 0.00 C ATOM 900 C ASN B 22 -8.157 -5.351 -2.501 1.00 0.00 C ATOM 901 O ASN B 22 -9.287 -5.486 -2.970 1.00 0.00 O ATOM 902 CB ASN B 22 -6.416 -7.080 -3.005 1.00 0.00 C ATOM 903 CG ASN B 22 -5.549 -7.675 -4.101 1.00 0.00 C ATOM 904 OD1 ASN B 22 -6.170 -8.373 -5.037 1.00 0.00 O flip ATOM 905 ND2 ASN B 22 -4.329 -7.511 -4.105 1.00 0.00 N flip ATOM 0 H ASN B 22 -5.057 -5.008 -2.664 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.206 -5.659 -4.398 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -5.844 -7.039 -2.078 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.267 -7.737 -2.825 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -3.885 -6.966 -3.366 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -3.762 -7.920 -4.848 1.00 0.00 H new ATOM 912 N GLU B 23 -7.931 -4.919 -1.261 1.00 0.00 N ATOM 913 CA GLU B 23 -9.026 -4.542 -0.367 1.00 0.00 C ATOM 914 C GLU B 23 -9.784 -3.338 -0.911 1.00 0.00 C ATOM 915 O GLU B 23 -11.008 -3.276 -0.812 1.00 0.00 O ATOM 916 CB GLU B 23 -8.500 -4.236 1.040 1.00 0.00 C ATOM 917 CG GLU B 23 -8.004 -5.462 1.784 1.00 0.00 C ATOM 918 CD GLU B 23 -9.111 -6.452 2.067 1.00 0.00 C ATOM 919 OE1 GLU B 23 -9.798 -6.293 3.093 1.00 0.00 O ATOM 920 OE2 GLU B 23 -9.291 -7.398 1.274 1.00 0.00 O ATOM 0 H GLU B 23 -7.001 -4.821 -0.853 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.712 -5.387 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.687 -3.513 0.966 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.293 -3.765 1.621 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.226 -5.950 1.197 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.548 -5.153 2.724 1.00 0.00 H new ATOM 927 N VAL B 24 -9.054 -2.387 -1.486 1.00 0.00 N ATOM 928 CA VAL B 24 -9.670 -1.211 -2.082 1.00 0.00 C ATOM 929 C VAL B 24 -10.673 -1.630 -3.161 1.00 0.00 C ATOM 930 O VAL B 24 -11.857 -1.304 -3.083 1.00 0.00 O ATOM 931 CB VAL B 24 -8.619 -0.254 -2.692 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.295 0.908 -3.404 1.00 0.00 C ATOM 933 CG2 VAL B 24 -7.682 0.270 -1.616 1.00 0.00 C ATOM 0 H VAL B 24 -8.036 -2.410 -1.551 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.187 -0.676 -1.286 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.036 -0.817 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.536 1.568 -3.825 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -9.928 0.525 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -9.906 1.465 -2.693 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -6.950 0.941 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.257 0.811 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.165 -0.566 -1.145 1.00 0.00 H new ATOM 943 N ALA B 25 -10.189 -2.374 -4.153 1.00 0.00 N ATOM 944 CA ALA B 25 -11.041 -2.887 -5.228 1.00 0.00 C ATOM 945 C ALA B 25 -12.203 -3.717 -4.675 1.00 0.00 C ATOM 946 O ALA B 25 -13.348 -3.582 -5.120 1.00 0.00 O ATOM 947 CB ALA B 25 -10.214 -3.724 -6.189 1.00 0.00 C ATOM 0 H ALA B 25 -9.207 -2.637 -4.236 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.463 -2.034 -5.759 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.854 -4.102 -6.986 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.424 -3.109 -6.620 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.770 -4.562 -5.652 1.00 0.00 H new ATOM 953 N ARG B 26 -11.888 -4.568 -3.705 1.00 0.00 N ATOM 954 CA ARG B 26 -12.867 -5.402 -3.019 1.00 0.00 C ATOM 955 C ARG B 26 -14.012 -4.559 -2.470 1.00 0.00 C ATOM 956 O ARG B 26 -15.169 -4.738 -2.848 1.00 0.00 O ATOM 957 CB ARG B 26 -12.161 -6.142 -1.878 1.00 0.00 C ATOM 958 CG ARG B 26 -13.072 -6.916 -0.941 1.00 0.00 C ATOM 959 CD ARG B 26 -12.265 -7.524 0.197 1.00 0.00 C ATOM 960 NE ARG B 26 -13.086 -8.293 1.126 1.00 0.00 N ATOM 961 CZ ARG B 26 -12.589 -8.956 2.172 1.00 0.00 C ATOM 962 NH1 ARG B 26 -11.291 -8.900 2.450 1.00 0.00 N ATOM 963 NH2 ARG B 26 -13.395 -9.662 2.950 1.00 0.00 N ATOM 0 H ARG B 26 -10.934 -4.699 -3.369 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.291 -6.117 -3.724 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -11.438 -6.835 -2.309 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -11.597 -5.417 -1.292 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -13.839 -6.254 -0.539 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -13.587 -7.703 -1.492 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -11.491 -8.170 -0.217 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -11.757 -6.728 0.742 1.00 0.00 H new ATOM 0 HE ARG B 26 -14.093 -8.326 0.968 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -10.667 -8.347 1.862 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -10.919 -9.410 3.251 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -14.394 -9.699 2.749 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -13.016 -10.169 3.750 1.00 0.00 H new ATOM 977 N LEU B 27 -13.671 -3.620 -1.605 1.00 0.00 N ATOM 978 CA LEU B 27 -14.660 -2.784 -0.947 1.00 0.00 C ATOM 979 C LEU B 27 -15.447 -1.936 -1.944 1.00 0.00 C ATOM 980 O LEU B 27 -16.608 -1.617 -1.702 1.00 0.00 O ATOM 981 CB LEU B 27 -13.977 -1.904 0.094 1.00 0.00 C ATOM 982 CG LEU B 27 -13.449 -2.659 1.309 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.518 -1.783 2.119 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.597 -3.155 2.173 1.00 0.00 C ATOM 0 H LEU B 27 -12.707 -3.416 -1.340 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.379 -3.436 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.148 -1.378 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.684 -1.146 0.432 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.887 -3.523 0.954 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.152 -2.340 2.981 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.674 -1.478 1.500 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.056 -0.898 2.460 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.199 -3.691 3.035 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.188 -2.306 2.516 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.229 -3.825 1.589 1.00 0.00 H new ATOM 996 N LYS B 28 -14.833 -1.607 -3.077 1.00 0.00 N ATOM 997 CA LYS B 28 -15.498 -0.798 -4.086 1.00 0.00 C ATOM 998 C LYS B 28 -16.690 -1.542 -4.670 1.00 0.00 C ATOM 999 O LYS B 28 -17.785 -0.987 -4.776 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.529 -0.388 -5.198 1.00 0.00 C ATOM 1001 CG LYS B 28 -13.564 0.710 -4.784 1.00 0.00 C ATOM 1002 CD LYS B 28 -12.703 1.170 -5.951 1.00 0.00 C ATOM 1003 CE LYS B 28 -11.970 2.471 -5.640 1.00 0.00 C ATOM 1004 NZ LYS B 28 -11.285 3.014 -6.842 1.00 0.00 N ATOM 0 H LYS B 28 -13.882 -1.887 -3.316 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.856 0.110 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.959 -1.262 -5.514 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -15.101 -0.051 -6.062 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.124 1.557 -4.389 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.924 0.348 -3.980 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.977 0.394 -6.195 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.330 1.308 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.679 3.207 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.238 2.297 -4.851 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.797 3.898 -6.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.591 2.321 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.987 3.203 -7.586 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.491 -2.803 -5.038 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.596 -3.598 -5.558 1.00 0.00 C ATOM 1020 C LYS B 29 -18.517 -4.090 -4.432 1.00 0.00 C ATOM 1021 O LYS B 29 -19.560 -4.686 -4.694 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.080 -4.775 -6.389 1.00 0.00 C ATOM 1023 CG LYS B 29 -16.307 -5.815 -5.598 1.00 0.00 C ATOM 1024 CD LYS B 29 -15.755 -6.886 -6.521 1.00 0.00 C ATOM 1025 CE LYS B 29 -15.166 -8.053 -5.747 1.00 0.00 C ATOM 1026 NZ LYS B 29 -16.208 -8.828 -5.021 1.00 0.00 N ATOM 0 H LYS B 29 -15.595 -3.288 -4.988 1.00 0.00 H new ATOM 0 HA LYS B 29 -18.185 -2.951 -6.208 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.928 -5.261 -6.872 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -16.439 -4.390 -7.182 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.490 -5.336 -5.058 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.958 -6.270 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.550 -7.247 -7.174 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.988 -6.452 -7.163 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.637 -8.713 -6.435 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.430 -7.680 -5.034 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -15.810 -9.736 -4.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.530 -8.286 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.014 -9.004 -5.654 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.140 -3.827 -3.181 1.00 0.00 N ATOM 1041 CA LEU B 30 -18.927 -4.282 -2.032 1.00 0.00 C ATOM 1042 C LEU B 30 -19.931 -3.236 -1.531 1.00 0.00 C ATOM 1043 O LEU B 30 -20.936 -3.599 -0.918 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.009 -4.709 -0.882 1.00 0.00 C ATOM 1045 CG LEU B 30 -17.790 -6.222 -0.732 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -19.091 -6.912 -0.349 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -17.232 -6.827 -2.011 1.00 0.00 C ATOM 0 H LEU B 30 -17.299 -3.304 -2.937 1.00 0.00 H new ATOM 0 HA LEU B 30 -19.504 -5.137 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -17.039 -4.232 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -18.423 -4.326 0.051 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.060 -6.377 0.063 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -18.918 -7.983 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -19.451 -6.510 0.598 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -19.837 -6.737 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -17.088 -7.899 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -17.932 -6.657 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -16.276 -6.360 -2.248 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.678 -1.953 -1.791 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.566 -0.886 -1.317 1.00 0.00 C ATOM 1061 C VAL B 31 -21.946 -0.944 -1.981 1.00 0.00 C ATOM 1062 O VAL B 31 -22.877 -0.266 -1.544 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.977 0.525 -1.568 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -18.579 0.670 -0.992 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -19.977 0.858 -3.055 1.00 0.00 C ATOM 0 H VAL B 31 -18.872 -1.627 -2.323 1.00 0.00 H new ATOM 0 HA VAL B 31 -20.665 -1.056 -0.245 1.00 0.00 H new ATOM 0 HB VAL B 31 -20.621 1.236 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -18.206 1.674 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -18.610 0.501 0.084 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -17.917 -0.062 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -19.559 1.853 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -19.373 0.126 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -20.999 0.833 -3.433 1.00 0.00 H new ATOM 1075 N GLY B 32 -22.072 -1.740 -3.034 1.00 0.00 N ATOM 1076 CA GLY B 32 -23.322 -1.816 -3.760 1.00 0.00 C ATOM 1077 C GLY B 32 -23.119 -1.601 -5.242 1.00 0.00 C ATOM 1078 O GLY B 32 -23.646 -0.649 -5.822 1.00 0.00 O ATOM 0 H GLY B 32 -21.328 -2.335 -3.398 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -23.782 -2.790 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -24.013 -1.067 -3.374 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.346 -2.481 -5.858 1.00 0.00 N ATOM 1083 CA GLU B 33 -22.036 -2.358 -7.270 1.00 0.00 C ATOM 1084 C GLU B 33 -22.663 -3.512 -8.039 1.00 0.00 C ATOM 1085 O GLU B 33 -22.049 -4.596 -8.087 1.00 0.00 O ATOM 1086 CB GLU B 33 -20.520 -2.343 -7.479 1.00 0.00 C ATOM 1087 CG GLU B 33 -20.098 -1.850 -8.852 1.00 0.00 C ATOM 1088 CD GLU B 33 -20.479 -0.405 -9.082 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -19.718 0.487 -8.655 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -21.546 -0.150 -9.675 1.00 0.00 O ATOM 1091 OXT GLU B 33 -23.776 -3.340 -8.576 1.00 0.00 O ATOM 0 H GLU B 33 -21.922 -3.288 -5.400 1.00 0.00 H new ATOM 0 HA GLU B 33 -22.447 -1.420 -7.643 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -20.064 -1.709 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -20.131 -3.350 -7.329 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -19.019 -1.961 -8.960 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -20.561 -2.472 -9.618 1.00 0.00 H new TER 1098 GLU B 33