USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 2 SER OG : rot 180:sc= 0.00442 USER MOD Set 1.2: B 3 MET CE :methyl -115:sc= -0.333 (180deg=-1.82!) USER MOD Set 2.1: A 17 ASN : amide:sc= -8.05! C(o=-16!,f=-22!) USER MOD Set 2.2: B 17 ASN : amide:sc= -8.25! C(o=-16!,f=-22!) USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0.00703 USER MOD Set 3.2: A 3 MET CE :methyl -116:sc= -0.365 (180deg=-1.79!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 141:sc= -1.03 (180deg=-3.11!) USER MOD Single : A 5 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.86) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 58:sc= 1.12 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 22 ASN : amide:sc= -1.34! K(o=-1.3!,f=1.2) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= 0.07 (180deg=-0.076) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= -0.0365 (180deg=-0.207) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 141:sc= -1.01 (180deg=-3.14!) USER MOD Single : B 5 GLN : amide:sc= -0.238 K(o=-0.24,f=-0.97) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 57:sc= 1.03 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=-1.8e-05) USER MOD Single : B 22 ASN : amide:sc= -1.3! K(o=-1.3!,f=1.2) USER MOD Single : B 28 LYS NZ :NH3+ -171:sc= 0.115 (180deg=-0.0421) USER MOD Single : B 29 LYS NZ :NH3+ 168:sc= -0.0249 (180deg=-0.252) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.417 -4.612 -6.660 1.00 0.00 N ATOM 2 CA GLY A 1 -23.620 -5.112 -5.516 1.00 0.00 C ATOM 3 C GLY A 1 -22.638 -4.075 -5.022 1.00 0.00 C ATOM 4 O GLY A 1 -21.754 -3.644 -5.763 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.079 -5.351 -6.971 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.951 -3.769 -6.369 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.781 -4.365 -7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.289 -5.396 -4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.081 -6.011 -5.814 1.00 0.00 H new ATOM 10 N SER A 2 -22.794 -3.662 -3.778 1.00 0.00 N ATOM 11 CA SER A 2 -21.930 -2.649 -3.203 1.00 0.00 C ATOM 12 C SER A 2 -20.951 -3.255 -2.205 1.00 0.00 C ATOM 13 O SER A 2 -19.744 -3.059 -2.320 1.00 0.00 O ATOM 14 CB SER A 2 -22.779 -1.570 -2.531 1.00 0.00 C ATOM 15 OG SER A 2 -23.838 -2.150 -1.787 1.00 0.00 O ATOM 0 H SER A 2 -23.513 -4.014 -3.145 1.00 0.00 H new ATOM 0 HA SER A 2 -21.345 -2.200 -4.006 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.154 -0.967 -1.872 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.186 -0.898 -3.287 1.00 0.00 H new ATOM 0 HG SER A 2 -24.367 -1.442 -1.364 1.00 0.00 H new ATOM 21 N MET A 3 -21.471 -4.017 -1.250 1.00 0.00 N ATOM 22 CA MET A 3 -20.660 -4.541 -0.152 1.00 0.00 C ATOM 23 C MET A 3 -19.462 -5.340 -0.659 1.00 0.00 C ATOM 24 O MET A 3 -18.322 -4.967 -0.415 1.00 0.00 O ATOM 25 CB MET A 3 -21.504 -5.411 0.784 1.00 0.00 C ATOM 26 CG MET A 3 -22.636 -4.672 1.485 1.00 0.00 C ATOM 27 SD MET A 3 -22.058 -3.395 2.628 1.00 0.00 S ATOM 28 CE MET A 3 -22.001 -1.957 1.561 1.00 0.00 C ATOM 0 H MET A 3 -22.454 -4.288 -1.212 1.00 0.00 H new ATOM 0 HA MET A 3 -20.283 -3.681 0.402 1.00 0.00 H new ATOM 0 HB2 MET A 3 -21.926 -6.236 0.210 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.851 -5.849 1.539 1.00 0.00 H new ATOM 0 HG2 MET A 3 -23.280 -4.214 0.735 1.00 0.00 H new ATOM 0 HG3 MET A 3 -23.246 -5.391 2.033 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.971 -1.613 1.469 1.00 0.00 H new ATOM 0 HE2 MET A 3 -22.385 -2.220 0.575 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.612 -1.162 1.989 1.00 0.00 H new ATOM 38 N LYS A 4 -19.723 -6.405 -1.400 1.00 0.00 N ATOM 39 CA LYS A 4 -18.670 -7.342 -1.791 1.00 0.00 C ATOM 40 C LYS A 4 -17.779 -6.765 -2.885 1.00 0.00 C ATOM 41 O LYS A 4 -16.725 -7.308 -3.180 1.00 0.00 O ATOM 42 CB LYS A 4 -19.272 -8.672 -2.257 1.00 0.00 C ATOM 43 CG LYS A 4 -20.077 -8.573 -3.547 1.00 0.00 C ATOM 44 CD LYS A 4 -20.785 -9.880 -3.892 1.00 0.00 C ATOM 45 CE LYS A 4 -19.850 -10.918 -4.508 1.00 0.00 C ATOM 46 NZ LYS A 4 -18.864 -11.463 -3.538 1.00 0.00 N ATOM 0 H LYS A 4 -20.652 -6.646 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 4 -18.053 -7.519 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.467 -9.393 -2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -19.916 -9.063 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -20.816 -7.777 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.413 -8.295 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -21.234 -10.293 -2.989 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -21.599 -9.674 -4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -20.443 -11.738 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.316 -10.467 -5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.739 -12.482 -3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.952 -10.977 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.210 -11.312 -2.569 1.00 0.00 H new ATOM 60 N GLN A 5 -18.191 -5.652 -3.460 1.00 0.00 N ATOM 61 CA GLN A 5 -17.459 -5.051 -4.562 1.00 0.00 C ATOM 62 C GLN A 5 -16.580 -3.936 -4.040 1.00 0.00 C ATOM 63 O GLN A 5 -15.405 -3.836 -4.388 1.00 0.00 O ATOM 64 CB GLN A 5 -18.419 -4.519 -5.625 1.00 0.00 C ATOM 65 CG GLN A 5 -19.206 -5.613 -6.326 1.00 0.00 C ATOM 66 CD GLN A 5 -18.312 -6.623 -7.018 1.00 0.00 C ATOM 67 OE1 GLN A 5 -17.209 -6.299 -7.464 1.00 0.00 O ATOM 68 NE2 GLN A 5 -18.782 -7.854 -7.120 1.00 0.00 N ATOM 0 H GLN A 5 -19.031 -5.143 -3.183 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.833 -5.814 -5.025 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.115 -3.822 -5.159 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.853 -3.956 -6.367 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -19.833 -6.127 -5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.874 -5.162 -7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.700 -8.083 -6.738 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -18.227 -8.575 -7.581 1.00 0.00 H new ATOM 77 N LEU A 6 -17.154 -3.117 -3.176 1.00 0.00 N ATOM 78 CA LEU A 6 -16.410 -2.059 -2.529 1.00 0.00 C ATOM 79 C LEU A 6 -15.400 -2.668 -1.575 1.00 0.00 C ATOM 80 O LEU A 6 -14.234 -2.290 -1.583 1.00 0.00 O ATOM 81 CB LEU A 6 -17.344 -1.101 -1.780 1.00 0.00 C ATOM 82 CG LEU A 6 -17.924 0.074 -2.591 1.00 0.00 C ATOM 83 CD1 LEU A 6 -16.839 1.083 -2.943 1.00 0.00 C ATOM 84 CD2 LEU A 6 -18.619 -0.416 -3.855 1.00 0.00 C ATOM 0 H LEU A 6 -18.137 -3.168 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.889 -1.480 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -18.175 -1.681 -1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.800 -0.691 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.666 0.568 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.275 1.902 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.396 1.476 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -16.068 0.595 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -19.017 0.437 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -17.903 -0.949 -4.481 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.435 -1.087 -3.585 1.00 0.00 H new ATOM 96 N GLU A 7 -15.848 -3.640 -0.776 1.00 0.00 N ATOM 97 CA GLU A 7 -14.948 -4.332 0.138 1.00 0.00 C ATOM 98 C GLU A 7 -13.868 -5.076 -0.633 1.00 0.00 C ATOM 99 O GLU A 7 -12.728 -5.159 -0.178 1.00 0.00 O ATOM 100 CB GLU A 7 -15.703 -5.296 1.051 1.00 0.00 C ATOM 101 CG GLU A 7 -16.586 -4.598 2.073 1.00 0.00 C ATOM 102 CD GLU A 7 -17.286 -5.568 2.999 1.00 0.00 C ATOM 103 OE1 GLU A 7 -18.420 -5.981 2.679 1.00 0.00 O ATOM 104 OE2 GLU A 7 -16.702 -5.911 4.046 1.00 0.00 O ATOM 0 H GLU A 7 -16.816 -3.959 -0.746 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.477 -3.576 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.320 -5.955 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.984 -5.927 1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.979 -3.912 2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.331 -3.997 1.553 1.00 0.00 H new ATOM 111 N ASP A 8 -14.218 -5.612 -1.806 1.00 0.00 N ATOM 112 CA ASP A 8 -13.211 -6.247 -2.654 1.00 0.00 C ATOM 113 C ASP A 8 -12.134 -5.245 -3.041 1.00 0.00 C ATOM 114 O ASP A 8 -10.945 -5.520 -2.898 1.00 0.00 O ATOM 115 CB ASP A 8 -13.834 -6.856 -3.910 1.00 0.00 C ATOM 116 CG ASP A 8 -13.990 -8.363 -3.805 1.00 0.00 C ATOM 117 OD1 ASP A 8 -14.482 -8.840 -2.760 1.00 0.00 O ATOM 118 OD2 ASP A 8 -13.625 -9.065 -4.769 1.00 0.00 O ATOM 0 H ASP A 8 -15.166 -5.619 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.760 -7.054 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.810 -6.403 -4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.213 -6.617 -4.773 1.00 0.00 H new ATOM 123 N LYS A 9 -12.558 -4.073 -3.501 1.00 0.00 N ATOM 124 CA LYS A 9 -11.629 -3.027 -3.928 1.00 0.00 C ATOM 125 C LYS A 9 -10.717 -2.588 -2.788 1.00 0.00 C ATOM 126 O LYS A 9 -9.520 -2.372 -2.996 1.00 0.00 O ATOM 127 CB LYS A 9 -12.392 -1.824 -4.485 1.00 0.00 C ATOM 128 CG LYS A 9 -13.145 -2.123 -5.770 1.00 0.00 C ATOM 129 CD LYS A 9 -12.200 -2.555 -6.879 1.00 0.00 C ATOM 130 CE LYS A 9 -12.949 -2.863 -8.165 1.00 0.00 C ATOM 131 NZ LYS A 9 -12.023 -3.251 -9.262 1.00 0.00 N ATOM 0 H LYS A 9 -13.542 -3.821 -3.589 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.004 -3.446 -4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.099 -1.473 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.689 -1.011 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.879 -2.908 -5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.697 -1.237 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.470 -1.767 -7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.644 -3.437 -6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.661 -3.669 -7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.526 -1.989 -8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.570 -3.454 -10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.360 -2.472 -9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.490 -4.099 -8.983 1.00 0.00 H new ATOM 145 N VAL A 10 -11.276 -2.467 -1.586 1.00 0.00 N ATOM 146 CA VAL A 10 -10.484 -2.109 -0.412 1.00 0.00 C ATOM 147 C VAL A 10 -9.353 -3.119 -0.223 1.00 0.00 C ATOM 148 O VAL A 10 -8.188 -2.753 -0.085 1.00 0.00 O ATOM 149 CB VAL A 10 -11.329 -2.077 0.886 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.531 -1.473 2.026 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.626 -1.311 0.708 1.00 0.00 C ATOM 0 H VAL A 10 -12.269 -2.611 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.091 -1.108 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.582 -3.110 1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.141 -1.459 2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.637 -2.071 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.241 -0.454 1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.183 -1.317 1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.405 -0.282 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.223 -1.783 -0.072 1.00 0.00 H new ATOM 161 N GLU A 11 -9.704 -4.398 -0.262 1.00 0.00 N ATOM 162 CA GLU A 11 -8.739 -5.466 -0.025 1.00 0.00 C ATOM 163 C GLU A 11 -7.785 -5.629 -1.213 1.00 0.00 C ATOM 164 O GLU A 11 -6.713 -6.213 -1.074 1.00 0.00 O ATOM 165 CB GLU A 11 -9.464 -6.786 0.247 1.00 0.00 C ATOM 166 CG GLU A 11 -10.497 -6.701 1.362 1.00 0.00 C ATOM 167 CD GLU A 11 -9.903 -6.283 2.693 1.00 0.00 C ATOM 168 OE1 GLU A 11 -9.523 -7.174 3.478 1.00 0.00 O ATOM 169 OE2 GLU A 11 -9.820 -5.063 2.952 1.00 0.00 O ATOM 0 H GLU A 11 -10.651 -4.722 -0.456 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.149 -5.193 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.957 -7.114 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.728 -7.548 0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.272 -5.989 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.981 -7.671 1.476 1.00 0.00 H new ATOM 176 N GLU A 12 -8.172 -5.113 -2.375 1.00 0.00 N ATOM 177 CA GLU A 12 -7.303 -5.147 -3.547 1.00 0.00 C ATOM 178 C GLU A 12 -6.144 -4.183 -3.357 1.00 0.00 C ATOM 179 O GLU A 12 -5.004 -4.485 -3.711 1.00 0.00 O ATOM 180 CB GLU A 12 -8.073 -4.803 -4.826 1.00 0.00 C ATOM 181 CG GLU A 12 -9.115 -5.841 -5.210 1.00 0.00 C ATOM 182 CD GLU A 12 -8.535 -7.237 -5.326 1.00 0.00 C ATOM 183 OE1 GLU A 12 -8.088 -7.606 -6.430 1.00 0.00 O ATOM 184 OE2 GLU A 12 -8.526 -7.961 -4.309 1.00 0.00 O ATOM 0 H GLU A 12 -9.077 -4.668 -2.531 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.918 -6.161 -3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.564 -3.839 -4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.365 -4.691 -5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.911 -5.843 -4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.569 -5.560 -6.161 1.00 0.00 H new ATOM 191 N LEU A 13 -6.435 -3.025 -2.787 1.00 0.00 N ATOM 192 CA LEU A 13 -5.387 -2.093 -2.417 1.00 0.00 C ATOM 193 C LEU A 13 -4.608 -2.644 -1.235 1.00 0.00 C ATOM 194 O LEU A 13 -3.415 -2.385 -1.090 1.00 0.00 O ATOM 195 CB LEU A 13 -5.963 -0.719 -2.082 1.00 0.00 C ATOM 196 CG LEU A 13 -6.551 0.040 -3.271 1.00 0.00 C ATOM 197 CD1 LEU A 13 -7.048 1.401 -2.828 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.518 0.189 -4.378 1.00 0.00 C ATOM 0 H LEU A 13 -7.381 -2.711 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.715 -1.972 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.740 -0.841 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.177 -0.111 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.392 -0.531 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.465 1.932 -3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.819 1.277 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.219 1.974 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.957 0.732 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.657 0.740 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.199 -0.798 -4.713 1.00 0.00 H new ATOM 210 N LEU A 14 -5.292 -3.429 -0.409 1.00 0.00 N ATOM 211 CA LEU A 14 -4.663 -4.114 0.713 1.00 0.00 C ATOM 212 C LEU A 14 -3.648 -5.135 0.208 1.00 0.00 C ATOM 213 O LEU A 14 -2.669 -5.456 0.884 1.00 0.00 O ATOM 214 CB LEU A 14 -5.717 -4.829 1.554 1.00 0.00 C ATOM 215 CG LEU A 14 -5.275 -5.203 2.969 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.116 -3.957 3.822 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.269 -6.164 3.602 1.00 0.00 C ATOM 0 H LEU A 14 -6.292 -3.607 -0.498 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.154 -3.370 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.598 -4.191 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.020 -5.737 1.033 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.308 -5.703 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.801 -4.241 4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.365 -3.305 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.068 -3.429 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.938 -6.419 4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.250 -5.692 3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.332 -7.071 3.000 1.00 0.00 H new ATOM 229 N SER A 15 -3.894 -5.634 -0.994 1.00 0.00 N ATOM 230 CA SER A 15 -3.027 -6.613 -1.620 1.00 0.00 C ATOM 231 C SER A 15 -1.718 -5.959 -2.034 1.00 0.00 C ATOM 232 O SER A 15 -0.642 -6.527 -1.844 1.00 0.00 O ATOM 233 CB SER A 15 -3.722 -7.240 -2.831 1.00 0.00 C ATOM 234 OG SER A 15 -4.989 -7.770 -2.472 1.00 0.00 O ATOM 0 H SER A 15 -4.700 -5.370 -1.560 1.00 0.00 H new ATOM 0 HA SER A 15 -2.810 -7.404 -0.902 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.846 -6.490 -3.612 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.097 -8.031 -3.244 1.00 0.00 H new ATOM 0 HG SER A 15 -5.543 -7.060 -2.087 1.00 0.00 H new ATOM 240 N LYS A 16 -1.805 -4.750 -2.586 1.00 0.00 N ATOM 241 CA LYS A 16 -0.600 -4.008 -2.912 1.00 0.00 C ATOM 242 C LYS A 16 -0.024 -3.380 -1.651 1.00 0.00 C ATOM 243 O LYS A 16 1.170 -3.139 -1.580 1.00 0.00 O ATOM 244 CB LYS A 16 -0.821 -2.957 -4.011 1.00 0.00 C ATOM 245 CG LYS A 16 -1.815 -1.862 -3.669 1.00 0.00 C ATOM 246 CD LYS A 16 -2.011 -0.891 -4.829 1.00 0.00 C ATOM 247 CE LYS A 16 -0.747 -0.098 -5.140 1.00 0.00 C ATOM 248 NZ LYS A 16 -0.932 0.792 -6.317 1.00 0.00 N ATOM 0 H LYS A 16 -2.680 -4.276 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 16 0.120 -4.717 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.137 -2.495 -4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.161 -3.465 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.773 -2.310 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.466 -1.316 -2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.317 -1.445 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.820 -0.201 -4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.469 0.500 -4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.077 -0.786 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.052 1.315 -6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.172 0.219 -7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.702 1.465 -6.126 1.00 0.00 H new ATOM 262 N ASN A 17 -0.872 -3.130 -0.646 1.00 0.00 N ATOM 263 CA ASN A 17 -0.379 -2.784 0.689 1.00 0.00 C ATOM 264 C ASN A 17 0.584 -3.862 1.137 1.00 0.00 C ATOM 265 O ASN A 17 1.696 -3.575 1.570 1.00 0.00 O ATOM 266 CB ASN A 17 -1.513 -2.688 1.721 1.00 0.00 C ATOM 267 CG ASN A 17 -2.344 -1.428 1.617 1.00 0.00 C ATOM 268 OD1 ASN A 17 -3.546 -1.447 1.856 1.00 0.00 O ATOM 269 ND2 ASN A 17 -1.713 -0.317 1.301 1.00 0.00 N ATOM 0 H ASN A 17 -1.888 -3.160 -0.731 1.00 0.00 H new ATOM 0 HA ASN A 17 0.104 -1.809 0.627 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.168 -3.552 1.605 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.084 -2.745 2.721 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.225 0.563 1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.712 -0.336 1.108 1.00 0.00 H new ATOM 276 N TYR A 18 0.149 -5.108 0.987 1.00 0.00 N ATOM 277 CA TYR A 18 0.972 -6.253 1.349 1.00 0.00 C ATOM 278 C TYR A 18 2.220 -6.315 0.465 1.00 0.00 C ATOM 279 O TYR A 18 3.322 -6.569 0.947 1.00 0.00 O ATOM 280 CB TYR A 18 0.155 -7.543 1.224 1.00 0.00 C ATOM 281 CG TYR A 18 0.891 -8.787 1.671 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.252 -8.964 3.001 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.217 -9.786 0.765 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.919 -10.101 3.414 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.883 -10.927 1.171 1.00 0.00 C ATOM 286 CZ TYR A 18 2.232 -11.079 2.495 1.00 0.00 C ATOM 287 OH TYR A 18 2.900 -12.214 2.899 1.00 0.00 O ATOM 0 H TYR A 18 -0.770 -5.350 0.617 1.00 0.00 H new ATOM 0 HA TYR A 18 1.295 -6.144 2.384 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.756 -7.442 1.813 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.150 -7.668 0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.007 -8.200 3.724 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.946 -9.670 -0.274 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.194 -10.223 4.451 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.129 -11.696 0.454 1.00 0.00 H new ATOM 0 HH TYR A 18 3.042 -12.802 2.128 1.00 0.00 H new ATOM 297 N HIS A 19 2.033 -6.053 -0.824 1.00 0.00 N ATOM 298 CA HIS A 19 3.126 -6.085 -1.797 1.00 0.00 C ATOM 299 C HIS A 19 4.189 -5.032 -1.472 1.00 0.00 C ATOM 300 O HIS A 19 5.381 -5.335 -1.435 1.00 0.00 O ATOM 301 CB HIS A 19 2.574 -5.858 -3.209 1.00 0.00 C ATOM 302 CG HIS A 19 3.587 -6.051 -4.298 1.00 0.00 C ATOM 303 ND1 HIS A 19 3.976 -5.045 -5.154 1.00 0.00 N ATOM 304 CD2 HIS A 19 4.277 -7.150 -4.676 1.00 0.00 C ATOM 305 CE1 HIS A 19 4.858 -5.520 -6.013 1.00 0.00 C ATOM 306 NE2 HIS A 19 5.059 -6.793 -5.744 1.00 0.00 N ATOM 0 H HIS A 19 1.126 -5.814 -1.225 1.00 0.00 H new ATOM 0 HA HIS A 19 3.598 -7.066 -1.747 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.741 -6.541 -3.377 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.175 -4.846 -3.274 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.222 -8.128 -4.221 1.00 0.00 H new ATOM 0 HE1 HIS A 19 5.335 -4.959 -6.803 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.693 -7.413 -6.248 1.00 0.00 H new ATOM 315 N LEU A 20 3.747 -3.800 -1.240 1.00 0.00 N ATOM 316 CA LEU A 20 4.649 -2.699 -0.907 1.00 0.00 C ATOM 317 C LEU A 20 5.312 -2.971 0.424 1.00 0.00 C ATOM 318 O LEU A 20 6.512 -2.794 0.573 1.00 0.00 O ATOM 319 CB LEU A 20 3.892 -1.371 -0.825 1.00 0.00 C ATOM 320 CG LEU A 20 3.008 -1.048 -2.016 1.00 0.00 C ATOM 321 CD1 LEU A 20 2.449 0.358 -1.929 1.00 0.00 C ATOM 322 CD2 LEU A 20 3.750 -1.254 -3.326 1.00 0.00 C ATOM 0 H LEU A 20 2.762 -3.536 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 20 5.399 -2.626 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.273 -1.380 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.617 -0.566 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 20 2.168 -1.742 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.821 0.554 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.854 0.457 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.270 1.075 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.090 -1.014 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.623 -0.602 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.070 -2.293 -3.404 1.00 0.00 H new ATOM 334 N GLU A 21 4.507 -3.399 1.386 1.00 0.00 N ATOM 335 CA GLU A 21 5.017 -3.766 2.707 1.00 0.00 C ATOM 336 C GLU A 21 6.149 -4.783 2.597 1.00 0.00 C ATOM 337 O GLU A 21 7.196 -4.624 3.226 1.00 0.00 O ATOM 338 CB GLU A 21 3.901 -4.317 3.599 1.00 0.00 C ATOM 339 CG GLU A 21 3.210 -3.258 4.441 1.00 0.00 C ATOM 340 CD GLU A 21 4.144 -2.611 5.446 1.00 0.00 C ATOM 341 OE1 GLU A 21 4.301 -3.168 6.553 1.00 0.00 O ATOM 342 OE2 GLU A 21 4.715 -1.546 5.128 1.00 0.00 O ATOM 0 H GLU A 21 3.498 -3.502 1.280 1.00 0.00 H new ATOM 0 HA GLU A 21 5.409 -2.859 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.158 -4.811 2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.318 -5.077 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.798 -2.490 3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.370 -3.710 4.969 1.00 0.00 H new ATOM 349 N ASN A 22 5.941 -5.817 1.789 1.00 0.00 N ATOM 350 CA ASN A 22 6.980 -6.811 1.549 1.00 0.00 C ATOM 351 C ASN A 22 8.183 -6.173 0.876 1.00 0.00 C ATOM 352 O ASN A 22 9.327 -6.464 1.226 1.00 0.00 O ATOM 353 CB ASN A 22 6.467 -7.957 0.673 1.00 0.00 C ATOM 354 CG ASN A 22 5.476 -8.863 1.378 1.00 0.00 C ATOM 355 OD1 ASN A 22 4.587 -9.428 0.743 1.00 0.00 O ATOM 356 ND2 ASN A 22 5.631 -9.035 2.682 1.00 0.00 N ATOM 0 H ASN A 22 5.067 -5.988 1.292 1.00 0.00 H new ATOM 0 HA ASN A 22 7.272 -7.214 2.519 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.996 -7.540 -0.217 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.315 -8.553 0.335 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.001 -9.653 3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.380 -8.549 3.175 1.00 0.00 H new ATOM 363 N GLU A 23 7.915 -5.293 -0.082 1.00 0.00 N ATOM 364 CA GLU A 23 8.974 -4.649 -0.847 1.00 0.00 C ATOM 365 C GLU A 23 9.810 -3.733 0.046 1.00 0.00 C ATOM 366 O GLU A 23 11.042 -3.752 -0.017 1.00 0.00 O ATOM 367 CB GLU A 23 8.379 -3.858 -2.016 1.00 0.00 C ATOM 368 CG GLU A 23 9.421 -3.321 -2.986 1.00 0.00 C ATOM 369 CD GLU A 23 10.203 -4.425 -3.675 1.00 0.00 C ATOM 370 OE1 GLU A 23 11.253 -4.834 -3.135 1.00 0.00 O ATOM 371 OE2 GLU A 23 9.765 -4.882 -4.750 1.00 0.00 O ATOM 0 H GLU A 23 6.972 -5.009 -0.347 1.00 0.00 H new ATOM 0 HA GLU A 23 9.628 -5.424 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.685 -4.498 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.800 -3.024 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.928 -2.706 -3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.113 -2.673 -2.448 1.00 0.00 H new ATOM 378 N VAL A 24 9.136 -2.944 0.882 1.00 0.00 N ATOM 379 CA VAL A 24 9.815 -2.047 1.808 1.00 0.00 C ATOM 380 C VAL A 24 10.702 -2.841 2.759 1.00 0.00 C ATOM 381 O VAL A 24 11.867 -2.509 2.950 1.00 0.00 O ATOM 382 CB VAL A 24 8.826 -1.206 2.652 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.581 -0.294 3.604 1.00 0.00 C ATOM 384 CG2 VAL A 24 7.907 -0.384 1.769 1.00 0.00 C ATOM 0 H VAL A 24 8.118 -2.910 0.935 1.00 0.00 H new ATOM 0 HA VAL A 24 10.412 -1.369 1.198 1.00 0.00 H new ATOM 0 HB VAL A 24 8.214 -1.898 3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.870 0.290 4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.195 -0.896 4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.220 0.379 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.225 0.195 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.502 0.293 1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.333 -1.048 1.123 1.00 0.00 H new ATOM 394 N ALA A 25 10.140 -3.901 3.333 1.00 0.00 N ATOM 395 CA ALA A 25 10.858 -4.731 4.296 1.00 0.00 C ATOM 396 C ALA A 25 12.124 -5.319 3.684 1.00 0.00 C ATOM 397 O ALA A 25 13.173 -5.360 4.330 1.00 0.00 O ATOM 398 CB ALA A 25 9.955 -5.842 4.810 1.00 0.00 C ATOM 0 H ALA A 25 9.185 -4.207 3.147 1.00 0.00 H new ATOM 0 HA ALA A 25 11.153 -4.097 5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.503 -6.453 5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.082 -5.406 5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.632 -6.464 3.975 1.00 0.00 H new ATOM 404 N ARG A 26 12.025 -5.764 2.436 1.00 0.00 N ATOM 405 CA ARG A 26 13.173 -6.316 1.727 1.00 0.00 C ATOM 406 C ARG A 26 14.252 -5.255 1.554 1.00 0.00 C ATOM 407 O ARG A 26 15.414 -5.477 1.875 1.00 0.00 O ATOM 408 CB ARG A 26 12.758 -6.862 0.357 1.00 0.00 C ATOM 409 CG ARG A 26 11.814 -8.052 0.428 1.00 0.00 C ATOM 410 CD ARG A 26 12.474 -9.252 1.085 1.00 0.00 C ATOM 411 NE ARG A 26 11.559 -10.384 1.205 1.00 0.00 N ATOM 412 CZ ARG A 26 11.913 -11.571 1.693 1.00 0.00 C ATOM 413 NH1 ARG A 26 13.165 -11.789 2.074 1.00 0.00 N ATOM 414 NH2 ARG A 26 11.016 -12.545 1.789 1.00 0.00 N ATOM 0 H ARG A 26 11.161 -5.753 1.894 1.00 0.00 H new ATOM 0 HA ARG A 26 13.573 -7.137 2.322 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.279 -6.064 -0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.653 -7.153 -0.193 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.921 -7.775 0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.489 -8.320 -0.577 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.345 -9.551 0.502 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.834 -8.971 2.075 1.00 0.00 H new ATOM 0 HE ARG A 26 10.595 -10.258 0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.859 -11.046 1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.433 -12.699 2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.055 -12.384 1.489 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.288 -13.454 2.163 1.00 0.00 H new ATOM 428 N LEU A 27 13.849 -4.093 1.062 1.00 0.00 N ATOM 429 CA LEU A 27 14.775 -2.989 0.840 1.00 0.00 C ATOM 430 C LEU A 27 15.361 -2.487 2.155 1.00 0.00 C ATOM 431 O LEU A 27 16.546 -2.171 2.236 1.00 0.00 O ATOM 432 CB LEU A 27 14.066 -1.837 0.130 1.00 0.00 C ATOM 433 CG LEU A 27 14.102 -1.856 -1.404 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.845 -3.249 -1.951 1.00 0.00 C ATOM 435 CD2 LEU A 27 13.078 -0.884 -1.963 1.00 0.00 C ATOM 0 H LEU A 27 12.883 -3.888 0.807 1.00 0.00 H new ATOM 0 HA LEU A 27 15.587 -3.360 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.023 -1.830 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.509 -0.901 0.471 1.00 0.00 H new ATOM 0 HG LEU A 27 15.101 -1.551 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.878 -3.224 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.609 -3.932 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.863 -3.592 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.112 -0.906 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.082 -1.171 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.304 0.123 -1.613 1.00 0.00 H new ATOM 447 N LYS A 28 14.524 -2.426 3.182 1.00 0.00 N ATOM 448 CA LYS A 28 14.939 -1.937 4.489 1.00 0.00 C ATOM 449 C LYS A 28 15.966 -2.879 5.112 1.00 0.00 C ATOM 450 O LYS A 28 16.750 -2.478 5.972 1.00 0.00 O ATOM 451 CB LYS A 28 13.719 -1.793 5.406 1.00 0.00 C ATOM 452 CG LYS A 28 13.999 -1.136 6.755 1.00 0.00 C ATOM 453 CD LYS A 28 14.257 0.365 6.637 1.00 0.00 C ATOM 454 CE LYS A 28 15.732 0.690 6.430 1.00 0.00 C ATOM 455 NZ LYS A 28 16.576 0.210 7.557 1.00 0.00 N ATOM 0 H LYS A 28 13.546 -2.712 3.133 1.00 0.00 H new ATOM 0 HA LYS A 28 15.404 -0.959 4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.959 -1.210 4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.297 -2.782 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.151 -1.304 7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.864 -1.614 7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.680 0.765 5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.902 0.863 7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.076 0.235 5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.853 1.768 6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.505 0.675 7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.113 0.438 8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.701 -0.820 7.483 1.00 0.00 H new ATOM 469 N LYS A 29 15.955 -4.128 4.666 1.00 0.00 N ATOM 470 CA LYS A 29 16.925 -5.116 5.114 1.00 0.00 C ATOM 471 C LYS A 29 18.291 -4.821 4.492 1.00 0.00 C ATOM 472 O LYS A 29 19.331 -4.951 5.141 1.00 0.00 O ATOM 473 CB LYS A 29 16.451 -6.518 4.720 1.00 0.00 C ATOM 474 CG LYS A 29 17.296 -7.648 5.283 1.00 0.00 C ATOM 475 CD LYS A 29 17.188 -7.728 6.795 1.00 0.00 C ATOM 476 CE LYS A 29 17.979 -8.905 7.342 1.00 0.00 C ATOM 477 NZ LYS A 29 19.425 -8.807 7.011 1.00 0.00 N ATOM 0 H LYS A 29 15.279 -4.482 3.989 1.00 0.00 H new ATOM 0 HA LYS A 29 17.018 -5.067 6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.422 -6.648 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.443 -6.593 3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.978 -8.594 4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.338 -7.500 5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.556 -6.802 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.141 -7.825 7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.857 -8.952 8.424 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.576 -9.833 6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.956 -9.508 7.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.562 -8.992 5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.769 -7.853 7.239 1.00 0.00 H new ATOM 491 N LEU A 30 18.267 -4.398 3.234 1.00 0.00 N ATOM 492 CA LEU A 30 19.480 -4.043 2.509 1.00 0.00 C ATOM 493 C LEU A 30 19.995 -2.690 2.973 1.00 0.00 C ATOM 494 O LEU A 30 21.200 -2.489 3.109 1.00 0.00 O ATOM 495 CB LEU A 30 19.232 -4.030 0.996 1.00 0.00 C ATOM 496 CG LEU A 30 19.281 -5.399 0.307 1.00 0.00 C ATOM 497 CD1 LEU A 30 18.137 -6.290 0.758 1.00 0.00 C ATOM 498 CD2 LEU A 30 19.257 -5.234 -1.202 1.00 0.00 C ATOM 0 H LEU A 30 17.411 -4.292 2.690 1.00 0.00 H new ATOM 0 HA LEU A 30 20.236 -4.799 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.255 -3.584 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.973 -3.381 0.530 1.00 0.00 H new ATOM 0 HG LEU A 30 20.214 -5.882 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.203 -7.252 0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.199 -6.444 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.187 -5.815 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.292 -6.215 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.342 -4.721 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.120 -4.647 -1.518 1.00 0.00 H new ATOM 510 N VAL A 31 19.072 -1.772 3.231 1.00 0.00 N ATOM 511 CA VAL A 31 19.410 -0.491 3.841 1.00 0.00 C ATOM 512 C VAL A 31 19.378 -0.656 5.363 1.00 0.00 C ATOM 513 O VAL A 31 19.063 0.266 6.121 1.00 0.00 O ATOM 514 CB VAL A 31 18.434 0.631 3.403 1.00 0.00 C ATOM 515 CG1 VAL A 31 18.950 2.003 3.817 1.00 0.00 C ATOM 516 CG2 VAL A 31 18.202 0.592 1.902 1.00 0.00 C ATOM 0 H VAL A 31 18.080 -1.891 3.027 1.00 0.00 H new ATOM 0 HA VAL A 31 20.406 -0.195 3.510 1.00 0.00 H new ATOM 0 HB VAL A 31 17.484 0.455 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.244 2.769 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.057 2.040 4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.918 2.183 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.514 1.389 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 31 19.151 0.731 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.775 -0.372 1.625 1.00 0.00 H new ATOM 526 N GLY A 32 19.674 -1.867 5.797 1.00 0.00 N ATOM 527 CA GLY A 32 19.689 -2.184 7.204 1.00 0.00 C ATOM 528 C GLY A 32 20.937 -2.945 7.597 1.00 0.00 C ATOM 529 O GLY A 32 21.276 -3.033 8.777 1.00 0.00 O ATOM 0 H GLY A 32 19.908 -2.650 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 32 19.627 -1.263 7.784 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.809 -2.777 7.452 1.00 0.00 H new ATOM 533 N GLU A 33 21.617 -3.495 6.601 1.00 0.00 N ATOM 534 CA GLU A 33 22.826 -4.272 6.831 1.00 0.00 C ATOM 535 C GLU A 33 24.054 -3.366 6.825 1.00 0.00 C ATOM 536 O GLU A 33 24.743 -3.288 7.862 1.00 0.00 O ATOM 537 CB GLU A 33 22.957 -5.382 5.779 1.00 0.00 C ATOM 538 CG GLU A 33 22.877 -4.886 4.343 1.00 0.00 C ATOM 539 CD GLU A 33 22.963 -6.005 3.327 1.00 0.00 C ATOM 540 OE1 GLU A 33 21.900 -6.479 2.877 1.00 0.00 O ATOM 541 OE2 GLU A 33 24.091 -6.403 2.976 1.00 0.00 O ATOM 542 OXT GLU A 33 24.307 -2.712 5.796 1.00 0.00 O ATOM 0 H GLU A 33 21.349 -3.416 5.620 1.00 0.00 H new ATOM 0 HA GLU A 33 22.757 -4.741 7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 33 23.908 -5.895 5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 33 22.170 -6.118 5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 33 21.941 -4.346 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 33 23.685 -4.176 4.164 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -24.641 4.744 5.623 1.00 0.00 N ATOM 551 CA GLY B 1 -23.792 5.247 4.518 1.00 0.00 C ATOM 552 C GLY B 1 -22.797 4.206 4.059 1.00 0.00 C ATOM 553 O GLY B 1 -21.943 3.769 4.832 1.00 0.00 O ATOM 0 H1 GLY B 1 -25.311 5.485 5.911 1.00 0.00 H new ATOM 0 H2 GLY B 1 -25.168 3.907 5.302 1.00 0.00 H new ATOM 0 H3 GLY B 1 -24.041 4.486 6.432 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -24.423 5.542 3.680 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -23.259 6.140 4.846 1.00 0.00 H new ATOM 559 N SER B 2 -22.907 3.795 2.808 1.00 0.00 N ATOM 560 CA SER B 2 -22.029 2.775 2.267 1.00 0.00 C ATOM 561 C SER B 2 -21.004 3.373 1.312 1.00 0.00 C ATOM 562 O SER B 2 -19.805 3.168 1.478 1.00 0.00 O ATOM 563 CB SER B 2 -22.856 1.697 1.563 1.00 0.00 C ATOM 564 OG SER B 2 -23.893 2.273 0.783 1.00 0.00 O ATOM 0 H SER B 2 -23.597 4.153 2.148 1.00 0.00 H new ATOM 0 HA SER B 2 -21.482 2.322 3.094 1.00 0.00 H new ATOM 0 HB2 SER B 2 -22.208 1.097 0.925 1.00 0.00 H new ATOM 0 HB3 SER B 2 -23.286 1.023 2.304 1.00 0.00 H new ATOM 0 HG SER B 2 -24.405 1.562 0.343 1.00 0.00 H new ATOM 570 N MET B 3 -21.480 4.139 0.337 1.00 0.00 N ATOM 571 CA MET B 3 -20.621 4.661 -0.725 1.00 0.00 C ATOM 572 C MET B 3 -19.439 5.449 -0.167 1.00 0.00 C ATOM 573 O MET B 3 -18.291 5.066 -0.360 1.00 0.00 O ATOM 574 CB MET B 3 -21.421 5.542 -1.691 1.00 0.00 C ATOM 575 CG MET B 3 -22.535 4.816 -2.437 1.00 0.00 C ATOM 576 SD MET B 3 -21.928 3.538 -3.560 1.00 0.00 S ATOM 577 CE MET B 3 -21.916 2.095 -2.496 1.00 0.00 C ATOM 0 H MET B 3 -22.459 4.414 0.258 1.00 0.00 H new ATOM 0 HA MET B 3 -20.228 3.800 -1.266 1.00 0.00 H new ATOM 0 HB2 MET B 3 -21.856 6.370 -1.131 1.00 0.00 H new ATOM 0 HB3 MET B 3 -20.736 5.975 -2.420 1.00 0.00 H new ATOM 0 HG2 MET B 3 -23.212 4.362 -1.713 1.00 0.00 H new ATOM 0 HG3 MET B 3 -23.116 5.543 -3.005 1.00 0.00 H new ATOM 0 HE1 MET B 3 -20.890 1.754 -2.356 1.00 0.00 H new ATOM 0 HE2 MET B 3 -22.348 2.352 -1.529 1.00 0.00 H new ATOM 0 HE3 MET B 3 -22.503 1.300 -2.955 1.00 0.00 H new ATOM 587 N LYS B 4 -19.721 6.518 0.564 1.00 0.00 N ATOM 588 CA LYS B 4 -18.677 7.443 1.002 1.00 0.00 C ATOM 589 C LYS B 4 -17.836 6.855 2.128 1.00 0.00 C ATOM 590 O LYS B 4 -16.787 7.387 2.467 1.00 0.00 O ATOM 591 CB LYS B 4 -19.286 8.776 1.450 1.00 0.00 C ATOM 592 CG LYS B 4 -20.144 8.679 2.704 1.00 0.00 C ATOM 593 CD LYS B 4 -20.855 9.992 3.022 1.00 0.00 C ATOM 594 CE LYS B 4 -19.938 11.024 3.673 1.00 0.00 C ATOM 595 NZ LYS B 4 -18.917 11.570 2.738 1.00 0.00 N ATOM 0 H LYS B 4 -20.662 6.769 0.868 1.00 0.00 H new ATOM 0 HA LYS B 4 -18.024 7.617 0.147 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -18.481 9.489 1.628 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -19.893 9.177 0.638 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -20.884 7.889 2.575 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -19.518 8.394 3.549 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -21.266 10.408 2.102 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -21.696 9.792 3.685 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -20.542 11.844 4.061 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -19.434 10.568 4.525 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -18.794 12.588 2.914 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -18.012 11.081 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -19.231 11.424 1.757 1.00 0.00 H new ATOM 609 N GLN B 5 -18.279 5.745 2.682 1.00 0.00 N ATOM 610 CA GLN B 5 -17.599 5.137 3.813 1.00 0.00 C ATOM 611 C GLN B 5 -16.708 4.016 3.325 1.00 0.00 C ATOM 612 O GLN B 5 -15.552 3.903 3.726 1.00 0.00 O ATOM 613 CB GLN B 5 -18.607 4.612 4.833 1.00 0.00 C ATOM 614 CG GLN B 5 -19.413 5.709 5.506 1.00 0.00 C ATOM 615 CD GLN B 5 -18.536 6.706 6.236 1.00 0.00 C ATOM 616 OE1 GLN B 5 -17.458 6.366 6.723 1.00 0.00 O ATOM 617 NE2 GLN B 5 -18.993 7.943 6.316 1.00 0.00 N ATOM 0 H GLN B 5 -19.109 5.242 2.368 1.00 0.00 H new ATOM 0 HA GLN B 5 -16.987 5.893 4.305 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.290 3.923 4.336 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.077 4.041 5.596 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -20.006 6.232 4.756 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.113 5.261 6.211 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -19.892 8.183 5.898 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -18.447 8.659 6.796 1.00 0.00 H new ATOM 626 N LEU B 6 -17.252 3.203 2.436 1.00 0.00 N ATOM 627 CA LEU B 6 -16.490 2.141 1.817 1.00 0.00 C ATOM 628 C LEU B 6 -15.438 2.744 0.906 1.00 0.00 C ATOM 629 O LEU B 6 -14.274 2.360 0.962 1.00 0.00 O ATOM 630 CB LEU B 6 -17.400 1.192 1.027 1.00 0.00 C ATOM 631 CG LEU B 6 -18.022 0.020 1.811 1.00 0.00 C ATOM 632 CD1 LEU B 6 -16.961 -0.999 2.204 1.00 0.00 C ATOM 633 CD2 LEU B 6 -18.764 0.514 3.045 1.00 0.00 C ATOM 0 H LEU B 6 -18.223 3.261 2.128 1.00 0.00 H new ATOM 0 HA LEU B 6 -16.005 1.557 2.599 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -18.209 1.779 0.593 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.825 0.780 0.198 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.742 -0.468 1.154 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -17.427 -1.815 2.756 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -16.485 -1.393 1.306 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -16.210 -0.519 2.832 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.192 -0.336 3.577 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -18.070 1.040 3.700 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -19.562 1.192 2.743 1.00 0.00 H new ATOM 645 N GLU B 7 -15.846 3.719 0.091 1.00 0.00 N ATOM 646 CA GLU B 7 -14.904 4.406 -0.784 1.00 0.00 C ATOM 647 C GLU B 7 -13.849 5.138 0.032 1.00 0.00 C ATOM 648 O GLU B 7 -12.689 5.208 -0.374 1.00 0.00 O ATOM 649 CB GLU B 7 -15.614 5.381 -1.722 1.00 0.00 C ATOM 650 CG GLU B 7 -16.460 4.693 -2.780 1.00 0.00 C ATOM 651 CD GLU B 7 -17.110 5.674 -3.734 1.00 0.00 C ATOM 652 OE1 GLU B 7 -18.263 6.076 -3.479 1.00 0.00 O ATOM 653 OE2 GLU B 7 -16.461 6.036 -4.736 1.00 0.00 O ATOM 0 H GLU B 7 -16.810 4.045 0.021 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.415 3.648 -1.396 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -16.249 6.043 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -14.870 6.008 -2.213 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -15.836 4.001 -3.346 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -17.233 4.099 -2.292 1.00 0.00 H new ATOM 660 N ASP B 8 -14.241 5.677 1.191 1.00 0.00 N ATOM 661 CA ASP B 8 -13.266 6.302 2.079 1.00 0.00 C ATOM 662 C ASP B 8 -12.212 5.292 2.509 1.00 0.00 C ATOM 663 O ASP B 8 -11.017 5.560 2.414 1.00 0.00 O ATOM 664 CB ASP B 8 -13.934 6.910 3.311 1.00 0.00 C ATOM 665 CG ASP B 8 -14.082 8.416 3.201 1.00 0.00 C ATOM 666 OD1 ASP B 8 -14.519 8.893 2.133 1.00 0.00 O ATOM 667 OD2 ASP B 8 -13.767 9.117 4.185 1.00 0.00 O ATOM 0 H ASP B 8 -15.204 5.692 1.527 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.787 7.107 1.522 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -14.917 6.460 3.448 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.346 6.669 4.197 1.00 0.00 H new ATOM 672 N LYS B 9 -12.662 4.121 2.949 1.00 0.00 N ATOM 673 CA LYS B 9 -11.762 3.067 3.410 1.00 0.00 C ATOM 674 C LYS B 9 -10.807 2.623 2.307 1.00 0.00 C ATOM 675 O LYS B 9 -9.622 2.398 2.564 1.00 0.00 O ATOM 676 CB LYS B 9 -12.559 1.870 3.931 1.00 0.00 C ATOM 677 CG LYS B 9 -13.364 2.174 5.185 1.00 0.00 C ATOM 678 CD LYS B 9 -12.463 2.600 6.331 1.00 0.00 C ATOM 679 CE LYS B 9 -13.259 2.910 7.586 1.00 0.00 C ATOM 680 NZ LYS B 9 -12.373 3.287 8.717 1.00 0.00 N ATOM 0 H LYS B 9 -13.651 3.876 2.996 1.00 0.00 H new ATOM 0 HA LYS B 9 -11.166 3.478 4.225 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.236 1.527 3.149 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -11.872 1.050 4.140 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -14.085 2.964 4.974 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -13.934 1.292 5.476 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -11.744 1.808 6.542 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -11.891 3.480 6.036 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -13.957 3.722 7.383 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -13.854 2.040 7.864 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -12.951 3.492 9.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -11.724 2.502 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -11.823 4.132 8.461 1.00 0.00 H new ATOM 694 N VAL B 10 -11.319 2.506 1.083 1.00 0.00 N ATOM 695 CA VAL B 10 -10.484 2.145 -0.058 1.00 0.00 C ATOM 696 C VAL B 10 -9.338 3.145 -0.197 1.00 0.00 C ATOM 697 O VAL B 10 -8.170 2.772 -0.285 1.00 0.00 O ATOM 698 CB VAL B 10 -11.276 2.123 -1.390 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.437 1.514 -2.496 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.585 1.367 -1.267 1.00 0.00 C ATOM 0 H VAL B 10 -12.303 2.655 0.858 1.00 0.00 H new ATOM 0 HA VAL B 10 -10.107 1.140 0.133 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.511 3.158 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -11.009 1.506 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.531 2.104 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -10.167 0.493 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -13.104 1.379 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -12.384 0.336 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -13.210 1.842 -0.510 1.00 0.00 H new ATOM 710 N GLU B 11 -9.681 4.426 -0.170 1.00 0.00 N ATOM 711 CA GLU B 11 -8.700 5.487 -0.367 1.00 0.00 C ATOM 712 C GLU B 11 -7.792 5.642 0.858 1.00 0.00 C ATOM 713 O GLU B 11 -6.711 6.216 0.764 1.00 0.00 O ATOM 714 CB GLU B 11 -9.407 6.812 -0.665 1.00 0.00 C ATOM 715 CG GLU B 11 -10.393 6.741 -1.825 1.00 0.00 C ATOM 716 CD GLU B 11 -9.748 6.322 -3.132 1.00 0.00 C ATOM 717 OE1 GLU B 11 -9.316 7.213 -3.891 1.00 0.00 O ATOM 718 OE2 GLU B 11 -9.675 5.104 -3.396 1.00 0.00 O ATOM 0 H GLU B 11 -10.633 4.757 -0.013 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.077 5.212 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -9.937 7.138 0.230 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -8.656 7.571 -0.885 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -11.186 6.036 -1.576 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -10.862 7.716 -1.955 1.00 0.00 H new ATOM 725 N GLU B 12 -8.229 5.127 2.005 1.00 0.00 N ATOM 726 CA GLU B 12 -7.407 5.158 3.212 1.00 0.00 C ATOM 727 C GLU B 12 -6.247 4.186 3.071 1.00 0.00 C ATOM 728 O GLU B 12 -5.119 4.479 3.474 1.00 0.00 O ATOM 729 CB GLU B 12 -8.228 4.820 4.460 1.00 0.00 C ATOM 730 CG GLU B 12 -9.284 5.860 4.802 1.00 0.00 C ATOM 731 CD GLU B 12 -8.713 7.257 4.947 1.00 0.00 C ATOM 732 OE1 GLU B 12 -8.353 7.637 6.080 1.00 0.00 O ATOM 733 OE2 GLU B 12 -8.631 7.974 3.927 1.00 0.00 O ATOM 0 H GLU B 12 -9.141 4.686 2.124 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.021 6.170 3.332 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -8.715 3.856 4.313 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -7.553 4.709 5.308 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -10.047 5.864 4.024 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.778 5.577 5.732 1.00 0.00 H new ATOM 740 N LEU B 13 -6.524 3.031 2.484 1.00 0.00 N ATOM 741 CA LEU B 13 -5.470 2.088 2.155 1.00 0.00 C ATOM 742 C LEU B 13 -4.640 2.633 1.004 1.00 0.00 C ATOM 743 O LEU B 13 -3.447 2.363 0.905 1.00 0.00 O ATOM 744 CB LEU B 13 -6.044 0.719 1.797 1.00 0.00 C ATOM 745 CG LEU B 13 -6.688 -0.037 2.959 1.00 0.00 C ATOM 746 CD1 LEU B 13 -7.176 -1.393 2.496 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.705 -0.198 4.108 1.00 0.00 C ATOM 0 H LEU B 13 -7.463 2.727 2.228 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.834 1.960 3.031 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.788 0.848 1.011 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.245 0.104 1.382 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.540 0.543 3.314 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.632 -1.921 3.333 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -7.913 -1.263 1.704 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.334 -1.973 2.117 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.184 -0.739 4.924 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.833 -0.756 3.766 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.391 0.785 4.459 1.00 0.00 H new ATOM 759 N LEU B 14 -5.285 3.425 0.153 1.00 0.00 N ATOM 760 CA LEU B 14 -4.604 4.106 -0.939 1.00 0.00 C ATOM 761 C LEU B 14 -3.603 5.118 -0.388 1.00 0.00 C ATOM 762 O LEU B 14 -2.594 5.430 -1.018 1.00 0.00 O ATOM 763 CB LEU B 14 -5.619 4.830 -1.821 1.00 0.00 C ATOM 764 CG LEU B 14 -5.117 5.203 -3.217 1.00 0.00 C ATOM 765 CD1 LEU B 14 -4.936 3.956 -4.064 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.077 6.173 -3.886 1.00 0.00 C ATOM 0 H LEU B 14 -6.287 3.611 0.201 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.074 3.361 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.501 4.199 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -5.937 5.740 -1.311 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.149 5.695 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -4.578 4.238 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.209 3.296 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -5.890 3.437 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -5.704 6.428 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.059 5.709 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.157 7.079 -3.285 1.00 0.00 H new ATOM 778 N SER B 15 -3.896 5.617 0.800 1.00 0.00 N ATOM 779 CA SER B 15 -3.046 6.589 1.459 1.00 0.00 C ATOM 780 C SER B 15 -1.761 5.920 1.923 1.00 0.00 C ATOM 781 O SER B 15 -0.671 6.476 1.774 1.00 0.00 O ATOM 782 CB SER B 15 -3.781 7.218 2.645 1.00 0.00 C ATOM 783 OG SER B 15 -5.038 7.747 2.246 1.00 0.00 O ATOM 0 H SER B 15 -4.727 5.360 1.332 1.00 0.00 H new ATOM 0 HA SER B 15 -2.795 7.380 0.752 1.00 0.00 H new ATOM 0 HB2 SER B 15 -3.929 6.470 3.424 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.170 8.011 3.077 1.00 0.00 H new ATOM 0 HG SER B 15 -5.574 7.039 1.831 1.00 0.00 H new ATOM 789 N LYS B 16 -1.880 4.713 2.466 1.00 0.00 N ATOM 790 CA LYS B 16 -0.696 3.962 2.841 1.00 0.00 C ATOM 791 C LYS B 16 -0.074 3.330 1.604 1.00 0.00 C ATOM 792 O LYS B 16 1.121 3.078 1.580 1.00 0.00 O ATOM 793 CB LYS B 16 -0.971 2.914 3.931 1.00 0.00 C ATOM 794 CG LYS B 16 -1.957 1.826 3.547 1.00 0.00 C ATOM 795 CD LYS B 16 -2.206 0.857 4.696 1.00 0.00 C ATOM 796 CE LYS B 16 -0.962 0.055 5.056 1.00 0.00 C ATOM 797 NZ LYS B 16 -1.204 -0.839 6.219 1.00 0.00 N ATOM 0 H LYS B 16 -2.767 4.245 2.652 1.00 0.00 H new ATOM 0 HA LYS B 16 0.014 4.664 3.279 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -0.027 2.445 4.208 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -1.346 3.425 4.818 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -2.900 2.281 3.244 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -1.576 1.278 2.685 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -2.543 1.413 5.571 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -3.010 0.173 4.424 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -0.651 -0.540 4.197 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.143 0.737 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -0.336 -1.369 6.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.476 -0.268 7.045 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -1.969 -1.506 5.991 1.00 0.00 H new ATOM 811 N ASN B 17 -0.881 3.094 0.566 1.00 0.00 N ATOM 812 CA ASN B 17 -0.338 2.746 -0.748 1.00 0.00 C ATOM 813 C ASN B 17 0.649 3.818 -1.155 1.00 0.00 C ATOM 814 O ASN B 17 1.774 3.525 -1.549 1.00 0.00 O ATOM 815 CB ASN B 17 -1.430 2.660 -1.824 1.00 0.00 C ATOM 816 CG ASN B 17 -2.271 1.404 -1.759 1.00 0.00 C ATOM 817 OD1 ASN B 17 -3.461 1.432 -2.049 1.00 0.00 O ATOM 818 ND2 ASN B 17 -1.660 0.289 -1.417 1.00 0.00 N ATOM 0 H ASN B 17 -1.899 3.137 0.609 1.00 0.00 H new ATOM 0 HA ASN B 17 0.135 1.767 -0.669 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -2.085 3.527 -1.731 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -0.961 2.719 -2.806 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -2.179 -0.589 -1.387 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -0.668 0.303 -1.182 1.00 0.00 H new ATOM 825 N TYR B 18 0.216 5.067 -1.024 1.00 0.00 N ATOM 826 CA TYR B 18 1.063 6.205 -1.347 1.00 0.00 C ATOM 827 C TYR B 18 2.276 6.255 -0.415 1.00 0.00 C ATOM 828 O TYR B 18 3.398 6.502 -0.855 1.00 0.00 O ATOM 829 CB TYR B 18 0.253 7.502 -1.250 1.00 0.00 C ATOM 830 CG TYR B 18 1.018 8.739 -1.663 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.431 8.914 -2.977 1.00 0.00 C ATOM 832 CD2 TYR B 18 1.320 9.733 -0.741 1.00 0.00 C ATOM 833 CE1 TYR B 18 2.127 10.043 -3.361 1.00 0.00 C ATOM 834 CE2 TYR B 18 2.014 10.866 -1.118 1.00 0.00 C ATOM 835 CZ TYR B 18 2.416 11.016 -2.429 1.00 0.00 C ATOM 836 OH TYR B 18 3.114 12.140 -2.810 1.00 0.00 O ATOM 0 H TYR B 18 -0.717 5.315 -0.696 1.00 0.00 H new ATOM 0 HA TYR B 18 1.427 6.094 -2.369 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.635 7.411 -1.876 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.092 7.627 -0.224 1.00 0.00 H new ATOM 0 HD1 TYR B 18 1.204 8.155 -3.711 1.00 0.00 H new ATOM 0 HD2 TYR B 18 1.007 9.618 0.286 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.443 10.163 -4.387 1.00 0.00 H new ATOM 0 HE2 TYR B 18 2.241 11.631 -0.390 1.00 0.00 H new ATOM 0 HH TYR B 18 3.235 12.728 -2.036 1.00 0.00 H new ATOM 846 N HIS B 19 2.037 5.992 0.866 1.00 0.00 N ATOM 847 CA HIS B 19 3.089 6.015 1.881 1.00 0.00 C ATOM 848 C HIS B 19 4.157 4.955 1.599 1.00 0.00 C ATOM 849 O HIS B 19 5.354 5.252 1.612 1.00 0.00 O ATOM 850 CB HIS B 19 2.479 5.789 3.269 1.00 0.00 C ATOM 851 CG HIS B 19 3.447 5.970 4.398 1.00 0.00 C ATOM 852 ND1 HIS B 19 3.795 4.956 5.263 1.00 0.00 N ATOM 853 CD2 HIS B 19 4.129 7.065 4.812 1.00 0.00 C ATOM 854 CE1 HIS B 19 4.647 5.419 6.158 1.00 0.00 C ATOM 855 NE2 HIS B 19 4.866 6.693 5.905 1.00 0.00 N ATOM 0 H HIS B 19 1.114 5.758 1.230 1.00 0.00 H new ATOM 0 HA HIS B 19 3.569 6.993 1.850 1.00 0.00 H new ATOM 0 HB2 HIS B 19 1.646 6.478 3.405 1.00 0.00 H new ATOM 0 HB3 HIS B 19 2.069 4.780 3.314 1.00 0.00 H new ATOM 0 HD2 HIS B 19 4.097 8.047 4.364 1.00 0.00 H new ATOM 0 HE1 HIS B 19 5.090 4.850 6.962 1.00 0.00 H new ATOM 0 HE2 HIS B 19 5.485 7.304 6.437 1.00 0.00 H new ATOM 864 N LEU B 20 3.715 3.727 1.351 1.00 0.00 N ATOM 865 CA LEU B 20 4.622 2.618 1.053 1.00 0.00 C ATOM 866 C LEU B 20 5.339 2.885 -0.249 1.00 0.00 C ATOM 867 O LEU B 20 6.543 2.702 -0.348 1.00 0.00 O ATOM 868 CB LEU B 20 3.859 1.297 0.936 1.00 0.00 C ATOM 869 CG LEU B 20 2.926 0.978 2.089 1.00 0.00 C ATOM 870 CD1 LEU B 20 2.358 -0.423 1.976 1.00 0.00 C ATOM 871 CD2 LEU B 20 3.616 1.172 3.430 1.00 0.00 C ATOM 0 H LEU B 20 2.728 3.471 1.350 1.00 0.00 H new ATOM 0 HA LEU B 20 5.338 2.539 1.871 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.277 1.314 0.014 1.00 0.00 H new ATOM 0 HB3 LEU B 20 4.582 0.487 0.842 1.00 0.00 H new ATOM 0 HG LEU B 20 2.094 1.680 2.032 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.695 -0.616 2.819 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.798 -0.515 1.045 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.172 -1.147 1.982 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.920 0.935 4.235 1.00 0.00 H new ATOM 0 HD22 LEU B 20 4.481 0.512 3.493 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.942 2.208 3.525 1.00 0.00 H new ATOM 883 N GLU B 21 4.579 3.317 -1.244 1.00 0.00 N ATOM 884 CA GLU B 21 5.145 3.683 -2.543 1.00 0.00 C ATOM 885 C GLU B 21 6.281 4.688 -2.385 1.00 0.00 C ATOM 886 O GLU B 21 7.352 4.516 -2.966 1.00 0.00 O ATOM 887 CB GLU B 21 4.069 4.245 -3.477 1.00 0.00 C ATOM 888 CG GLU B 21 3.405 3.194 -4.349 1.00 0.00 C ATOM 889 CD GLU B 21 4.375 2.543 -5.317 1.00 0.00 C ATOM 890 OE1 GLU B 21 4.585 3.104 -6.411 1.00 0.00 O ATOM 891 OE2 GLU B 21 4.921 1.472 -4.978 1.00 0.00 O ATOM 0 H GLU B 21 3.567 3.424 -1.181 1.00 0.00 H new ATOM 0 HA GLU B 21 5.548 2.774 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.306 4.743 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.517 5.005 -4.117 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.961 2.427 -3.714 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.591 3.654 -4.910 1.00 0.00 H new ATOM 898 N ASN B 22 6.047 5.726 -1.588 1.00 0.00 N ATOM 899 CA ASN B 22 7.086 6.713 -1.303 1.00 0.00 C ATOM 900 C ASN B 22 8.253 6.061 -0.578 1.00 0.00 C ATOM 901 O ASN B 22 9.412 6.342 -0.874 1.00 0.00 O ATOM 902 CB ASN B 22 6.543 7.860 -0.448 1.00 0.00 C ATOM 903 CG ASN B 22 5.587 8.771 -1.190 1.00 0.00 C ATOM 904 OD1 ASN B 22 4.669 9.333 -0.594 1.00 0.00 O ATOM 905 ND2 ASN B 22 5.800 8.948 -2.486 1.00 0.00 N ATOM 0 H ASN B 22 5.154 5.906 -1.130 1.00 0.00 H new ATOM 0 HA ASN B 22 7.425 7.116 -2.257 1.00 0.00 H new ATOM 0 HB2 ASN B 22 6.034 7.444 0.422 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.379 8.451 -0.075 1.00 0.00 H new ATOM 0 HD21 ASN B 22 5.193 9.567 -3.023 1.00 0.00 H new ATOM 0 HD22 ASN B 22 6.571 8.465 -2.947 1.00 0.00 H new ATOM 912 N GLU B 23 7.936 5.180 0.363 1.00 0.00 N ATOM 913 CA GLU B 23 8.959 4.529 1.169 1.00 0.00 C ATOM 914 C GLU B 23 9.825 3.608 0.310 1.00 0.00 C ATOM 915 O GLU B 23 11.052 3.611 0.430 1.00 0.00 O ATOM 916 CB GLU B 23 8.313 3.741 2.310 1.00 0.00 C ATOM 917 CG GLU B 23 9.312 3.194 3.318 1.00 0.00 C ATOM 918 CD GLU B 23 10.075 4.288 4.038 1.00 0.00 C ATOM 919 OE1 GLU B 23 11.150 4.688 3.544 1.00 0.00 O ATOM 920 OE2 GLU B 23 9.596 4.748 5.094 1.00 0.00 O ATOM 0 H GLU B 23 6.981 4.901 0.586 1.00 0.00 H new ATOM 0 HA GLU B 23 9.601 5.300 1.594 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.603 4.386 2.828 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.743 2.912 1.890 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.785 2.582 4.050 1.00 0.00 H new ATOM 0 HG3 GLU B 23 10.018 2.541 2.806 1.00 0.00 H new ATOM 927 N VAL B 24 9.180 2.830 -0.557 1.00 0.00 N ATOM 928 CA VAL B 24 9.889 1.929 -1.456 1.00 0.00 C ATOM 929 C VAL B 24 10.818 2.717 -2.370 1.00 0.00 C ATOM 930 O VAL B 24 11.988 2.376 -2.519 1.00 0.00 O ATOM 931 CB VAL B 24 8.928 1.096 -2.340 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.715 0.178 -3.260 1.00 0.00 C ATOM 933 CG2 VAL B 24 7.967 0.279 -1.497 1.00 0.00 C ATOM 0 H VAL B 24 8.165 2.807 -0.654 1.00 0.00 H new ATOM 0 HA VAL B 24 10.457 1.246 -0.824 1.00 0.00 H new ATOM 0 HB VAL B 24 8.345 1.794 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL B 24 9.025 -0.400 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.361 0.775 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.325 -0.500 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.307 -0.293 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.531 -0.404 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.372 0.946 -0.874 1.00 0.00 H new ATOM 943 N ALA B 25 10.287 3.783 -2.963 1.00 0.00 N ATOM 944 CA ALA B 25 11.048 4.606 -3.895 1.00 0.00 C ATOM 945 C ALA B 25 12.296 5.181 -3.233 1.00 0.00 C ATOM 946 O ALA B 25 13.371 5.206 -3.837 1.00 0.00 O ATOM 947 CB ALA B 25 10.175 5.727 -4.442 1.00 0.00 C ATOM 0 H ALA B 25 9.328 4.097 -2.813 1.00 0.00 H new ATOM 0 HA ALA B 25 11.369 3.971 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.755 6.334 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.318 5.300 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.826 6.351 -3.619 1.00 0.00 H new ATOM 953 N ARG B 26 12.149 5.630 -1.989 1.00 0.00 N ATOM 954 CA ARG B 26 13.274 6.169 -1.233 1.00 0.00 C ATOM 955 C ARG B 26 14.335 5.097 -1.019 1.00 0.00 C ATOM 956 O ARG B 26 15.510 5.310 -1.300 1.00 0.00 O ATOM 957 CB ARG B 26 12.805 6.715 0.120 1.00 0.00 C ATOM 958 CG ARG B 26 11.872 7.910 0.011 1.00 0.00 C ATOM 959 CD ARG B 26 12.567 9.105 -0.618 1.00 0.00 C ATOM 960 NE ARG B 26 11.670 10.247 -0.773 1.00 0.00 N ATOM 961 CZ ARG B 26 12.057 11.434 -1.237 1.00 0.00 C ATOM 962 NH1 ARG B 26 13.326 11.641 -1.572 1.00 0.00 N ATOM 963 NH2 ARG B 26 11.175 12.414 -1.358 1.00 0.00 N ATOM 0 H ARG B 26 11.263 5.631 -1.484 1.00 0.00 H new ATOM 0 HA ARG B 26 13.708 6.986 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG B 26 12.298 5.919 0.666 1.00 0.00 H new ATOM 0 HB3 ARG B 26 13.677 7.000 0.708 1.00 0.00 H new ATOM 0 HG2 ARG B 26 11.001 7.639 -0.586 1.00 0.00 H new ATOM 0 HG3 ARG B 26 11.508 8.180 1.002 1.00 0.00 H new ATOM 0 HD2 ARG B 26 13.418 9.395 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG B 26 12.963 8.821 -1.593 1.00 0.00 H new ATOM 0 HE ARG B 26 10.691 10.129 -0.511 1.00 0.00 H new ATOM 0 HH11 ARG B 26 14.008 10.889 -1.474 1.00 0.00 H new ATOM 0 HH12 ARG B 26 13.618 12.552 -1.927 1.00 0.00 H new ATOM 0 HH21 ARG B 26 10.201 12.259 -1.096 1.00 0.00 H new ATOM 0 HH22 ARG B 26 11.469 13.324 -1.713 1.00 0.00 H new ATOM 977 N LEU B 27 13.905 3.938 -0.541 1.00 0.00 N ATOM 978 CA LEU B 27 14.811 2.826 -0.285 1.00 0.00 C ATOM 979 C LEU B 27 15.448 2.324 -1.577 1.00 0.00 C ATOM 980 O LEU B 27 16.634 2.003 -1.612 1.00 0.00 O ATOM 981 CB LEU B 27 14.066 1.679 0.393 1.00 0.00 C ATOM 982 CG LEU B 27 14.039 1.697 1.928 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.771 3.093 2.468 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.985 0.731 2.444 1.00 0.00 C ATOM 0 H LEU B 27 12.928 3.742 -0.321 1.00 0.00 H new ATOM 0 HA LEU B 27 15.600 3.188 0.374 1.00 0.00 H new ATOM 0 HB2 LEU B 27 13.037 1.679 0.033 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.516 0.740 0.070 1.00 0.00 H new ATOM 0 HG LEU B 27 15.022 1.385 2.280 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.759 3.066 3.558 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.555 3.770 2.130 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.806 3.445 2.104 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.975 0.752 3.534 1.00 0.00 H new ATOM 0 HD22 LEU B 27 12.006 1.025 2.066 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.218 -0.278 2.103 1.00 0.00 H new ATOM 996 N LYS B 28 14.651 2.268 -2.637 1.00 0.00 N ATOM 997 CA LYS B 28 15.115 1.780 -3.929 1.00 0.00 C ATOM 998 C LYS B 28 16.177 2.715 -4.504 1.00 0.00 C ATOM 999 O LYS B 28 16.993 2.311 -5.330 1.00 0.00 O ATOM 1000 CB LYS B 28 13.933 1.649 -4.897 1.00 0.00 C ATOM 1001 CG LYS B 28 14.263 0.990 -6.236 1.00 0.00 C ATOM 1002 CD LYS B 28 14.504 -0.513 -6.107 1.00 0.00 C ATOM 1003 CE LYS B 28 15.965 -0.852 -5.838 1.00 0.00 C ATOM 1004 NZ LYS B 28 16.860 -0.373 -6.923 1.00 0.00 N ATOM 0 H LYS B 28 13.673 2.557 -2.626 1.00 0.00 H new ATOM 0 HA LYS B 28 15.565 0.797 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.146 1.073 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS B 28 13.528 2.643 -5.089 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.444 1.164 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.150 1.461 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS B 28 13.889 -0.908 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS B 28 14.183 -1.009 -7.023 1.00 0.00 H new ATOM 0 HE2 LYS B 28 16.272 -0.405 -4.892 1.00 0.00 H new ATOM 0 HE3 LYS B 28 16.072 -1.931 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 17.817 -0.754 -6.778 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 16.495 -0.695 -7.842 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 16.896 0.666 -6.910 1.00 0.00 H new ATOM 1018 N LYS B 29 16.158 3.964 -4.056 1.00 0.00 N ATOM 1019 CA LYS B 29 17.152 4.944 -4.462 1.00 0.00 C ATOM 1020 C LYS B 29 18.488 4.639 -3.786 1.00 0.00 C ATOM 1021 O LYS B 29 19.556 4.764 -4.389 1.00 0.00 O ATOM 1022 CB LYS B 29 16.672 6.351 -4.087 1.00 0.00 C ATOM 1023 CG LYS B 29 17.548 7.474 -4.613 1.00 0.00 C ATOM 1024 CD LYS B 29 17.502 7.552 -6.130 1.00 0.00 C ATOM 1025 CE LYS B 29 18.322 8.721 -6.648 1.00 0.00 C ATOM 1026 NZ LYS B 29 19.751 8.614 -6.254 1.00 0.00 N ATOM 0 H LYS B 29 15.458 4.322 -3.406 1.00 0.00 H new ATOM 0 HA LYS B 29 17.289 4.895 -5.542 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.659 6.489 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.619 6.426 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS B 29 17.219 8.423 -4.189 1.00 0.00 H new ATOM 0 HG3 LYS B 29 18.576 7.318 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS B 29 17.881 6.623 -6.556 1.00 0.00 H new ATOM 0 HD3 LYS B 29 16.468 7.656 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS B 29 18.247 8.763 -7.735 1.00 0.00 H new ATOM 0 HE3 LYS B 29 17.908 9.653 -6.263 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 20.311 9.309 -6.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 19.845 8.802 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 20.098 7.656 -6.463 1.00 0.00 H new ATOM 1040 N LEU B 30 18.412 4.215 -2.531 1.00 0.00 N ATOM 1041 CA LEU B 30 19.592 3.848 -1.761 1.00 0.00 C ATOM 1042 C LEU B 30 20.110 2.490 -2.214 1.00 0.00 C ATOM 1043 O LEU B 30 21.316 2.281 -2.330 1.00 0.00 O ATOM 1044 CB LEU B 30 19.285 3.834 -0.259 1.00 0.00 C ATOM 1045 CG LEU B 30 19.314 5.204 0.434 1.00 0.00 C ATOM 1046 CD1 LEU B 30 18.197 6.105 -0.064 1.00 0.00 C ATOM 1047 CD2 LEU B 30 19.225 5.035 1.941 1.00 0.00 C ATOM 0 H LEU B 30 17.534 4.116 -2.021 1.00 0.00 H new ATOM 0 HA LEU B 30 20.365 4.596 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU B 30 18.299 3.392 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU B 30 20.004 3.181 0.235 1.00 0.00 H new ATOM 0 HG LEU B 30 20.261 5.682 0.186 1.00 0.00 H new ATOM 0 HD11 LEU B 30 18.249 7.066 0.448 1.00 0.00 H new ATOM 0 HD12 LEU B 30 18.306 6.260 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU B 30 17.234 5.637 0.139 1.00 0.00 H new ATOM 0 HD21 LEU B 30 19.247 6.014 2.419 1.00 0.00 H new ATOM 0 HD22 LEU B 30 18.295 4.527 2.196 1.00 0.00 H new ATOM 0 HD23 LEU B 30 20.070 4.442 2.291 1.00 0.00 H new ATOM 1059 N VAL B 31 19.189 1.577 -2.502 1.00 0.00 N ATOM 1060 CA VAL B 31 19.540 0.296 -3.103 1.00 0.00 C ATOM 1061 C VAL B 31 19.570 0.464 -4.625 1.00 0.00 C ATOM 1062 O VAL B 31 19.278 -0.452 -5.396 1.00 0.00 O ATOM 1063 CB VAL B 31 18.540 -0.822 -2.708 1.00 0.00 C ATOM 1064 CG1 VAL B 31 19.067 -2.195 -3.103 1.00 0.00 C ATOM 1065 CG2 VAL B 31 18.251 -0.781 -1.215 1.00 0.00 C ATOM 0 H VAL B 31 18.192 1.701 -2.328 1.00 0.00 H new ATOM 0 HA VAL B 31 20.520 -0.007 -2.733 1.00 0.00 H new ATOM 0 HB VAL B 31 17.611 -0.644 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL B 31 18.345 -2.959 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL B 31 19.219 -2.230 -4.182 1.00 0.00 H new ATOM 0 HG13 VAL B 31 20.014 -2.381 -2.597 1.00 0.00 H new ATOM 0 HG21 VAL B 31 17.548 -1.573 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL B 31 19.178 -0.926 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.820 0.186 -0.954 1.00 0.00 H new ATOM 1075 N GLY B 32 19.894 1.675 -5.042 1.00 0.00 N ATOM 1076 CA GLY B 32 19.971 1.994 -6.448 1.00 0.00 C ATOM 1077 C GLY B 32 21.240 2.746 -6.785 1.00 0.00 C ATOM 1078 O GLY B 32 21.633 2.835 -7.948 1.00 0.00 O ATOM 0 H GLY B 32 20.108 2.454 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY B 32 19.927 1.075 -7.032 1.00 0.00 H new ATOM 0 HA3 GLY B 32 19.107 2.594 -6.732 1.00 0.00 H new ATOM 1082 N GLU B 33 21.881 3.291 -5.761 1.00 0.00 N ATOM 1083 CA GLU B 33 23.108 4.052 -5.939 1.00 0.00 C ATOM 1084 C GLU B 33 24.324 3.129 -5.882 1.00 0.00 C ATOM 1085 O GLU B 33 25.041 3.034 -6.898 1.00 0.00 O ATOM 1086 CB GLU B 33 23.207 5.160 -4.883 1.00 0.00 C ATOM 1087 CG GLU B 33 23.065 4.665 -3.452 1.00 0.00 C ATOM 1088 CD GLU B 33 23.124 5.784 -2.435 1.00 0.00 C ATOM 1089 OE1 GLU B 33 22.049 6.268 -2.027 1.00 0.00 O ATOM 1090 OE2 GLU B 33 24.244 6.177 -2.048 1.00 0.00 O ATOM 1091 OXT GLU B 33 24.545 2.488 -4.832 1.00 0.00 O ATOM 0 H GLU B 33 21.569 3.219 -4.793 1.00 0.00 H new ATOM 0 HA GLU B 33 23.088 4.522 -6.922 1.00 0.00 H new ATOM 0 HB2 GLU B 33 24.168 5.664 -4.989 1.00 0.00 H new ATOM 0 HB3 GLU B 33 22.434 5.904 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU B 33 22.118 4.135 -3.348 1.00 0.00 H new ATOM 0 HG3 GLU B 33 23.857 3.946 -3.241 1.00 0.00 H new TER 1098 GLU B 33