USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 420 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: X 8 ASN : amide:sc= -8.21! C(o=-8.2!,f=-7.6!) USER MOD Set 1.2: X 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: X 33 TYR OH : rot 150:sc= -0.1 USER MOD Set 2.2: X 37 ASN : amide:sc= -7.68! C(o=-7.8!,f=-6.5!) USER MOD Set 3.1: X 1 MET CE :methyl 174:sc= -3.5! (180deg=-1.21) USER MOD Set 3.2: X 3 TYR OH : rot 58:sc= -1.91! USER MOD Set 3.3: X 45 TYR OH : rot 73:sc= -0.0644 USER MOD Set 3.4: X 50 LYS NZ :NH3+ -133:sc= -0.456! (180deg=-2.71!) USER MOD Single : X 1 MET N :NH3+ -135:sc= 0.124 (180deg=0) USER MOD Single : X 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 4 LYS NZ :NH3+ -151:sc= -0.341 (180deg=-1.16) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ -160:sc= -9.48! (180deg=-11.5!) USER MOD Single : X 16 THR OG1 : rot -140:sc= -1.64 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 THR OG1 : rot 180:sc= 0 USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ 176:sc= 0.0985 (180deg=0.094) USER MOD Single : X 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 35 ASN : amide:sc= -0.282 K(o=-0.28,f=-1.8!) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.312 USER MOD Single : X 49 THR OG1 : rot -101:sc= 0.675 USER MOD Single : X 51 THR OG1 : rot 81:sc= 1.07 USER MOD Single : X 53 THR OG1 : rot 180:sc= -2.96! USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 25.866 -12.017 -3.301 1.00 0.00 N ATOM 2 CA MET X 1 26.537 -10.794 -3.834 1.00 0.00 C ATOM 3 C MET X 1 25.569 -10.075 -4.790 1.00 0.00 C ATOM 4 O MET X 1 24.415 -10.481 -4.929 1.00 0.00 O ATOM 5 CB MET X 1 27.874 -11.210 -4.519 1.00 0.00 C ATOM 6 CG MET X 1 27.744 -11.263 -6.054 1.00 0.00 C ATOM 7 SD MET X 1 29.044 -12.321 -6.723 1.00 0.00 S ATOM 8 CE MET X 1 28.137 -13.874 -6.565 1.00 0.00 C ATOM 0 H1 MET X 1 26.026 -12.082 -2.275 1.00 0.00 H new ATOM 0 H2 MET X 1 24.845 -11.963 -3.489 1.00 0.00 H new ATOM 0 H3 MET X 1 26.259 -12.860 -3.767 1.00 0.00 H new ATOM 0 HA MET X 1 26.787 -10.094 -3.037 1.00 0.00 H new ATOM 0 HB2 MET X 1 28.657 -10.503 -4.246 1.00 0.00 H new ATOM 0 HB3 MET X 1 28.183 -12.187 -4.147 1.00 0.00 H new ATOM 0 HG2 MET X 1 26.764 -11.649 -6.335 1.00 0.00 H new ATOM 0 HG3 MET X 1 27.824 -10.260 -6.473 1.00 0.00 H new ATOM 0 HE1 MET X 1 28.712 -14.679 -7.023 1.00 0.00 H new ATOM 0 HE2 MET X 1 27.978 -14.097 -5.510 1.00 0.00 H new ATOM 0 HE3 MET X 1 27.173 -13.785 -7.067 1.00 0.00 H new ATOM 20 N GLN X 2 26.042 -9.007 -5.441 1.00 0.00 N ATOM 21 CA GLN X 2 25.209 -8.242 -6.372 1.00 0.00 C ATOM 22 C GLN X 2 25.895 -8.101 -7.728 1.00 0.00 C ATOM 23 O GLN X 2 27.119 -8.000 -7.812 1.00 0.00 O ATOM 24 CB GLN X 2 24.937 -6.851 -5.795 1.00 0.00 C ATOM 25 CG GLN X 2 23.974 -6.969 -4.612 1.00 0.00 C ATOM 26 CD GLN X 2 23.661 -5.577 -4.051 1.00 0.00 C ATOM 27 OE1 GLN X 2 24.571 -4.864 -3.628 1.00 0.00 O ATOM 28 NE2 GLN X 2 22.423 -5.145 -4.021 1.00 0.00 N ATOM 0 H GLN X 2 26.994 -8.654 -5.340 1.00 0.00 H new ATOM 0 HA GLN X 2 24.270 -8.777 -6.511 1.00 0.00 H new ATOM 0 HB2 GLN X 2 25.871 -6.390 -5.473 1.00 0.00 H new ATOM 0 HB3 GLN X 2 24.510 -6.204 -6.562 1.00 0.00 H new ATOM 0 HG2 GLN X 2 23.053 -7.458 -4.929 1.00 0.00 H new ATOM 0 HG3 GLN X 2 24.415 -7.593 -3.834 1.00 0.00 H new ATOM 0 HE21 GLN X 2 21.668 -5.735 -4.371 1.00 0.00 H new ATOM 0 HE22 GLN X 2 22.215 -4.219 -3.647 1.00 0.00 H new ATOM 37 N TYR X 3 25.088 -8.080 -8.787 1.00 0.00 N ATOM 38 CA TYR X 3 25.594 -7.935 -10.149 1.00 0.00 C ATOM 39 C TYR X 3 24.920 -6.751 -10.818 1.00 0.00 C ATOM 40 O TYR X 3 23.714 -6.563 -10.680 1.00 0.00 O ATOM 41 CB TYR X 3 25.286 -9.192 -10.958 1.00 0.00 C ATOM 42 CG TYR X 3 26.123 -10.342 -10.459 1.00 0.00 C ATOM 43 CD1 TYR X 3 27.513 -10.313 -10.614 1.00 0.00 C ATOM 44 CD2 TYR X 3 25.509 -11.451 -9.856 1.00 0.00 C ATOM 45 CE1 TYR X 3 28.290 -11.390 -10.169 1.00 0.00 C ATOM 46 CE2 TYR X 3 26.287 -12.524 -9.409 1.00 0.00 C ATOM 47 CZ TYR X 3 27.677 -12.493 -9.567 1.00 0.00 C ATOM 48 OH TYR X 3 28.445 -13.555 -9.136 1.00 0.00 O ATOM 0 H TYR X 3 24.073 -8.162 -8.726 1.00 0.00 H new ATOM 0 HA TYR X 3 26.672 -7.780 -10.108 1.00 0.00 H new ATOM 0 HB2 TYR X 3 24.227 -9.438 -10.874 1.00 0.00 H new ATOM 0 HB3 TYR X 3 25.490 -9.014 -12.014 1.00 0.00 H new ATOM 0 HD1 TYR X 3 27.987 -9.460 -11.077 1.00 0.00 H new ATOM 0 HD2 TYR X 3 24.436 -11.476 -9.737 1.00 0.00 H new ATOM 0 HE1 TYR X 3 29.363 -11.368 -10.291 1.00 0.00 H new ATOM 0 HE2 TYR X 3 25.815 -13.376 -8.942 1.00 0.00 H new ATOM 0 HH TYR X 3 29.112 -13.236 -8.492 1.00 0.00 H new ATOM 58 N LYS X 4 25.698 -5.957 -11.549 1.00 0.00 N ATOM 59 CA LYS X 4 25.156 -4.782 -12.243 1.00 0.00 C ATOM 60 C LYS X 4 25.375 -4.908 -13.747 1.00 0.00 C ATOM 61 O LYS X 4 26.495 -5.132 -14.207 1.00 0.00 O ATOM 62 CB LYS X 4 25.842 -3.513 -11.726 1.00 0.00 C ATOM 63 CG LYS X 4 25.164 -2.265 -12.323 1.00 0.00 C ATOM 64 CD LYS X 4 25.898 -0.971 -11.852 1.00 0.00 C ATOM 65 CE LYS X 4 25.008 -0.149 -10.911 1.00 0.00 C ATOM 66 NZ LYS X 4 24.001 0.600 -11.713 1.00 0.00 N ATOM 0 H LYS X 4 26.700 -6.100 -11.679 1.00 0.00 H new ATOM 0 HA LYS X 4 24.086 -4.721 -12.047 1.00 0.00 H new ATOM 0 HB2 LYS X 4 25.790 -3.479 -10.638 1.00 0.00 H new ATOM 0 HB3 LYS X 4 26.898 -3.526 -11.994 1.00 0.00 H new ATOM 0 HG2 LYS X 4 25.176 -2.322 -13.411 1.00 0.00 H new ATOM 0 HG3 LYS X 4 24.118 -2.230 -12.017 1.00 0.00 H new ATOM 0 HD2 LYS X 4 26.824 -1.238 -11.342 1.00 0.00 H new ATOM 0 HD3 LYS X 4 26.173 -0.368 -12.718 1.00 0.00 H new ATOM 0 HE2 LYS X 4 24.507 -0.806 -10.200 1.00 0.00 H new ATOM 0 HE3 LYS X 4 25.616 0.545 -10.331 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 23.743 1.476 -11.216 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 24.403 0.835 -12.643 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 23.152 0.012 -11.841 1.00 0.00 H new ATOM 80 N LEU X 5 24.292 -4.752 -14.507 1.00 0.00 N ATOM 81 CA LEU X 5 24.350 -4.834 -15.969 1.00 0.00 C ATOM 82 C LEU X 5 24.148 -3.437 -16.559 1.00 0.00 C ATOM 83 O LEU X 5 23.195 -2.740 -16.211 1.00 0.00 O ATOM 84 CB LEU X 5 23.266 -5.821 -16.448 1.00 0.00 C ATOM 85 CG LEU X 5 23.012 -5.753 -17.976 1.00 0.00 C ATOM 86 CD1 LEU X 5 22.201 -4.495 -18.362 1.00 0.00 C ATOM 87 CD2 LEU X 5 24.343 -5.787 -18.753 1.00 0.00 C ATOM 0 H LEU X 5 23.360 -4.568 -14.135 1.00 0.00 H new ATOM 0 HA LEU X 5 25.321 -5.199 -16.304 1.00 0.00 H new ATOM 0 HB2 LEU X 5 23.563 -6.835 -16.180 1.00 0.00 H new ATOM 0 HB3 LEU X 5 22.335 -5.612 -15.922 1.00 0.00 H new ATOM 0 HG LEU X 5 22.423 -6.629 -18.248 1.00 0.00 H new ATOM 0 HD11 LEU X 5 22.042 -4.481 -19.440 1.00 0.00 H new ATOM 0 HD12 LEU X 5 21.237 -4.513 -17.854 1.00 0.00 H new ATOM 0 HD13 LEU X 5 22.751 -3.602 -18.065 1.00 0.00 H new ATOM 0 HD21 LEU X 5 24.141 -5.738 -19.823 1.00 0.00 H new ATOM 0 HD22 LEU X 5 24.957 -4.935 -18.460 1.00 0.00 H new ATOM 0 HD23 LEU X 5 24.873 -6.712 -18.526 1.00 0.00 H new ATOM 99 N ILE X 6 25.061 -3.024 -17.441 1.00 0.00 N ATOM 100 CA ILE X 6 24.980 -1.699 -18.063 1.00 0.00 C ATOM 101 C ILE X 6 24.358 -1.811 -19.437 1.00 0.00 C ATOM 102 O ILE X 6 24.734 -2.670 -20.234 1.00 0.00 O ATOM 103 CB ILE X 6 26.374 -1.088 -18.215 1.00 0.00 C ATOM 104 CG1 ILE X 6 27.129 -1.160 -16.881 1.00 0.00 C ATOM 105 CG2 ILE X 6 26.242 0.369 -18.662 1.00 0.00 C ATOM 106 CD1 ILE X 6 26.285 -0.548 -15.758 1.00 0.00 C ATOM 0 H ILE X 6 25.860 -3.583 -17.740 1.00 0.00 H new ATOM 0 HA ILE X 6 24.370 -1.063 -17.422 1.00 0.00 H new ATOM 0 HB ILE X 6 26.934 -1.648 -18.964 1.00 0.00 H new ATOM 0 HG12 ILE X 6 27.364 -2.198 -16.644 1.00 0.00 H new ATOM 0 HG13 ILE X 6 28.077 -0.629 -16.963 1.00 0.00 H new ATOM 0 HG21 ILE X 6 27.234 0.807 -18.771 1.00 0.00 H new ATOM 0 HG22 ILE X 6 25.720 0.410 -19.618 1.00 0.00 H new ATOM 0 HG23 ILE X 6 25.678 0.929 -17.916 1.00 0.00 H new ATOM 0 HD11 ILE X 6 26.833 -0.606 -14.818 1.00 0.00 H new ATOM 0 HD12 ILE X 6 26.072 0.496 -15.990 1.00 0.00 H new ATOM 0 HD13 ILE X 6 25.348 -1.097 -15.666 1.00 0.00 H new ATOM 118 N LEU X 7 23.391 -0.947 -19.706 1.00 0.00 N ATOM 119 CA LEU X 7 22.701 -0.964 -20.990 1.00 0.00 C ATOM 120 C LEU X 7 23.383 -0.017 -21.967 1.00 0.00 C ATOM 121 O LEU X 7 23.343 1.203 -21.809 1.00 0.00 O ATOM 122 CB LEU X 7 21.229 -0.540 -20.813 1.00 0.00 C ATOM 123 CG LEU X 7 20.355 -1.726 -20.355 1.00 0.00 C ATOM 124 CD1 LEU X 7 20.477 -1.920 -18.841 1.00 0.00 C ATOM 125 CD2 LEU X 7 18.892 -1.436 -20.701 1.00 0.00 C ATOM 0 H LEU X 7 23.067 -0.229 -19.058 1.00 0.00 H new ATOM 0 HA LEU X 7 22.738 -1.979 -21.385 1.00 0.00 H new ATOM 0 HB2 LEU X 7 21.166 0.265 -20.081 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.846 -0.146 -21.754 1.00 0.00 H new ATOM 0 HG LEU X 7 20.692 -2.630 -20.862 1.00 0.00 H new ATOM 0 HD11 LEU X 7 19.855 -2.760 -18.531 1.00 0.00 H new ATOM 0 HD12 LEU X 7 21.516 -2.123 -18.583 1.00 0.00 H new ATOM 0 HD13 LEU X 7 20.146 -1.016 -18.330 1.00 0.00 H new ATOM 0 HD21 LEU X 7 18.270 -2.271 -20.379 1.00 0.00 H new ATOM 0 HD22 LEU X 7 18.571 -0.527 -20.192 1.00 0.00 H new ATOM 0 HD23 LEU X 7 18.792 -1.303 -21.778 1.00 0.00 H new ATOM 137 N ASN X 8 23.985 -0.599 -22.995 1.00 0.00 N ATOM 138 CA ASN X 8 24.649 0.164 -24.037 1.00 0.00 C ATOM 139 C ASN X 8 24.201 -0.381 -25.383 1.00 0.00 C ATOM 140 O ASN X 8 24.834 -1.276 -25.943 1.00 0.00 O ATOM 141 CB ASN X 8 26.163 0.027 -23.889 1.00 0.00 C ATOM 142 CG ASN X 8 26.523 -1.409 -23.525 1.00 0.00 C ATOM 143 OD1 ASN X 8 26.100 -1.910 -22.483 1.00 0.00 O ATOM 144 ND2 ASN X 8 27.283 -2.105 -24.325 1.00 0.00 N ATOM 0 H ASN X 8 24.026 -1.609 -23.128 1.00 0.00 H new ATOM 0 HA ASN X 8 24.390 1.220 -23.960 1.00 0.00 H new ATOM 0 HB2 ASN X 8 26.655 0.309 -24.820 1.00 0.00 H new ATOM 0 HB3 ASN X 8 26.525 0.708 -23.118 1.00 0.00 H new ATOM 0 HD21 ASN X 8 27.528 -3.066 -24.088 1.00 0.00 H new ATOM 0 HD22 ASN X 8 27.632 -1.688 -25.188 1.00 0.00 H new ATOM 151 N GLY X 9 23.086 0.152 -25.889 1.00 0.00 N ATOM 152 CA GLY X 9 22.535 -0.301 -27.166 1.00 0.00 C ATOM 153 C GLY X 9 22.403 0.849 -28.145 1.00 0.00 C ATOM 154 O GLY X 9 23.082 1.869 -28.022 1.00 0.00 O ATOM 0 H GLY X 9 22.551 0.893 -25.436 1.00 0.00 H new ATOM 0 HA2 GLY X 9 23.179 -1.071 -27.590 1.00 0.00 H new ATOM 0 HA3 GLY X 9 21.558 -0.757 -27.003 1.00 0.00 H new ATOM 158 N LYS X 10 21.529 0.671 -29.126 1.00 0.00 N ATOM 159 CA LYS X 10 21.321 1.699 -30.133 1.00 0.00 C ATOM 160 C LYS X 10 20.532 2.885 -29.562 1.00 0.00 C ATOM 161 O LYS X 10 20.914 4.037 -29.770 1.00 0.00 O ATOM 162 CB LYS X 10 20.593 1.103 -31.346 1.00 0.00 C ATOM 163 CG LYS X 10 21.246 -0.228 -31.725 1.00 0.00 C ATOM 164 CD LYS X 10 20.540 -0.815 -32.949 1.00 0.00 C ATOM 165 CE LYS X 10 20.959 -2.276 -33.129 1.00 0.00 C ATOM 166 NZ LYS X 10 20.514 -2.758 -34.467 1.00 0.00 N ATOM 0 H LYS X 10 20.959 -0.166 -29.245 1.00 0.00 H new ATOM 0 HA LYS X 10 22.296 2.071 -30.449 1.00 0.00 H new ATOM 0 HB2 LYS X 10 19.539 0.951 -31.113 1.00 0.00 H new ATOM 0 HB3 LYS X 10 20.637 1.795 -32.187 1.00 0.00 H new ATOM 0 HG2 LYS X 10 22.304 -0.078 -31.940 1.00 0.00 H new ATOM 0 HG3 LYS X 10 21.187 -0.925 -30.889 1.00 0.00 H new ATOM 0 HD2 LYS X 10 19.459 -0.748 -32.825 1.00 0.00 H new ATOM 0 HD3 LYS X 10 20.795 -0.240 -33.839 1.00 0.00 H new ATOM 0 HE2 LYS X 10 22.041 -2.369 -33.038 1.00 0.00 H new ATOM 0 HE3 LYS X 10 20.519 -2.891 -32.344 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 20.798 -3.751 -34.591 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 19.479 -2.683 -34.536 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 20.954 -2.177 -35.209 1.00 0.00 H new ATOM 180 N THR X 11 19.425 2.610 -28.854 1.00 0.00 N ATOM 181 CA THR X 11 18.600 3.686 -28.281 1.00 0.00 C ATOM 182 C THR X 11 18.283 3.449 -26.800 1.00 0.00 C ATOM 183 O THR X 11 17.841 4.365 -26.109 1.00 0.00 O ATOM 184 CB THR X 11 17.289 3.800 -29.069 1.00 0.00 C ATOM 185 OG1 THR X 11 16.646 2.534 -29.101 1.00 0.00 O ATOM 186 CG2 THR X 11 17.588 4.260 -30.496 1.00 0.00 C ATOM 0 H THR X 11 19.084 1.667 -28.666 1.00 0.00 H new ATOM 0 HA THR X 11 19.172 4.611 -28.353 1.00 0.00 H new ATOM 0 HB THR X 11 16.636 4.527 -28.586 1.00 0.00 H new ATOM 0 HG1 THR X 11 15.807 2.606 -29.603 1.00 0.00 H new ATOM 0 HG21 THR X 11 16.656 4.341 -31.055 1.00 0.00 H new ATOM 0 HG22 THR X 11 18.080 5.232 -30.469 1.00 0.00 H new ATOM 0 HG23 THR X 11 18.241 3.536 -30.982 1.00 0.00 H new ATOM 194 N LEU X 12 18.483 2.218 -26.316 1.00 0.00 N ATOM 195 CA LEU X 12 18.180 1.894 -24.921 1.00 0.00 C ATOM 196 C LEU X 12 19.444 1.909 -24.055 1.00 0.00 C ATOM 197 O LEU X 12 20.321 1.058 -24.206 1.00 0.00 O ATOM 198 CB LEU X 12 17.509 0.505 -24.861 1.00 0.00 C ATOM 199 CG LEU X 12 16.423 0.468 -23.772 1.00 0.00 C ATOM 200 CD1 LEU X 12 15.916 -0.974 -23.595 1.00 0.00 C ATOM 201 CD2 LEU X 12 16.998 0.983 -22.440 1.00 0.00 C ATOM 0 H LEU X 12 18.849 1.439 -26.864 1.00 0.00 H new ATOM 0 HA LEU X 12 17.503 2.652 -24.526 1.00 0.00 H new ATOM 0 HB2 LEU X 12 17.068 0.268 -25.829 1.00 0.00 H new ATOM 0 HB3 LEU X 12 18.260 -0.258 -24.657 1.00 0.00 H new ATOM 0 HG LEU X 12 15.594 1.108 -24.073 1.00 0.00 H new ATOM 0 HD11 LEU X 12 15.147 -0.997 -22.823 1.00 0.00 H new ATOM 0 HD12 LEU X 12 15.497 -1.330 -24.536 1.00 0.00 H new ATOM 0 HD13 LEU X 12 16.745 -1.618 -23.301 1.00 0.00 H new ATOM 0 HD21 LEU X 12 16.223 0.954 -21.674 1.00 0.00 H new ATOM 0 HD22 LEU X 12 17.833 0.352 -22.136 1.00 0.00 H new ATOM 0 HD23 LEU X 12 17.345 2.008 -22.566 1.00 0.00 H new ATOM 213 N LYS X 13 19.516 2.872 -23.133 1.00 0.00 N ATOM 214 CA LYS X 13 20.660 2.996 -22.225 1.00 0.00 C ATOM 215 C LYS X 13 20.172 3.246 -20.794 1.00 0.00 C ATOM 216 O LYS X 13 19.226 4.001 -20.571 1.00 0.00 O ATOM 217 CB LYS X 13 21.570 4.157 -22.693 1.00 0.00 C ATOM 218 CG LYS X 13 22.611 3.676 -23.758 1.00 0.00 C ATOM 219 CD LYS X 13 22.414 4.401 -25.101 1.00 0.00 C ATOM 220 CE LYS X 13 21.191 3.832 -25.828 1.00 0.00 C ATOM 221 NZ LYS X 13 21.343 2.357 -26.002 1.00 0.00 N ATOM 0 H LYS X 13 18.794 3.579 -22.995 1.00 0.00 H new ATOM 0 HA LYS X 13 21.232 2.068 -22.238 1.00 0.00 H new ATOM 0 HB2 LYS X 13 20.957 4.953 -23.115 1.00 0.00 H new ATOM 0 HB3 LYS X 13 22.094 4.579 -21.835 1.00 0.00 H new ATOM 0 HG2 LYS X 13 23.621 3.857 -23.390 1.00 0.00 H new ATOM 0 HG3 LYS X 13 22.513 2.600 -23.905 1.00 0.00 H new ATOM 0 HD2 LYS X 13 22.282 5.470 -24.931 1.00 0.00 H new ATOM 0 HD3 LYS X 13 23.303 4.284 -25.721 1.00 0.00 H new ATOM 0 HE2 LYS X 13 20.286 4.048 -25.260 1.00 0.00 H new ATOM 0 HE3 LYS X 13 21.079 4.312 -26.800 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 20.714 2.031 -26.763 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 22.329 2.136 -26.249 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 21.092 1.875 -25.115 1.00 0.00 H new ATOM 235 N GLY X 14 20.828 2.596 -19.830 1.00 0.00 N ATOM 236 CA GLY X 14 20.462 2.740 -18.422 1.00 0.00 C ATOM 237 C GLY X 14 21.280 1.783 -17.544 1.00 0.00 C ATOM 238 O GLY X 14 22.382 1.382 -17.915 1.00 0.00 O ATOM 0 H GLY X 14 21.613 1.967 -19.999 1.00 0.00 H new ATOM 0 HA2 GLY X 14 20.630 3.768 -18.101 1.00 0.00 H new ATOM 0 HA3 GLY X 14 19.399 2.537 -18.296 1.00 0.00 H new ATOM 242 N GLU X 15 20.731 1.420 -16.375 1.00 0.00 N ATOM 243 CA GLU X 15 21.410 0.508 -15.448 1.00 0.00 C ATOM 244 C GLU X 15 20.448 -0.563 -14.956 1.00 0.00 C ATOM 245 O GLU X 15 19.246 -0.324 -14.841 1.00 0.00 O ATOM 246 CB GLU X 15 21.927 1.266 -14.224 1.00 0.00 C ATOM 247 CG GLU X 15 22.732 2.487 -14.656 1.00 0.00 C ATOM 248 CD GLU X 15 24.101 2.061 -15.167 1.00 0.00 C ATOM 249 OE1 GLU X 15 24.908 1.638 -14.355 1.00 0.00 O ATOM 250 OE2 GLU X 15 24.325 2.165 -16.361 1.00 0.00 O ATOM 0 H GLU X 15 19.820 1.745 -16.051 1.00 0.00 H new ATOM 0 HA GLU X 15 22.241 0.054 -15.988 1.00 0.00 H new ATOM 0 HB2 GLU X 15 21.089 1.577 -13.600 1.00 0.00 H new ATOM 0 HB3 GLU X 15 22.549 0.608 -13.617 1.00 0.00 H new ATOM 0 HG2 GLU X 15 22.196 3.027 -15.437 1.00 0.00 H new ATOM 0 HG3 GLU X 15 22.846 3.172 -13.816 1.00 0.00 H new ATOM 257 N THR X 16 20.982 -1.742 -14.644 1.00 0.00 N ATOM 258 CA THR X 16 20.147 -2.838 -14.137 1.00 0.00 C ATOM 259 C THR X 16 20.943 -3.705 -13.164 1.00 0.00 C ATOM 260 O THR X 16 22.046 -4.139 -13.478 1.00 0.00 O ATOM 261 CB THR X 16 19.643 -3.685 -15.313 1.00 0.00 C ATOM 262 OG1 THR X 16 19.308 -2.824 -16.389 1.00 0.00 O ATOM 263 CG2 THR X 16 18.403 -4.487 -14.909 1.00 0.00 C ATOM 0 H THR X 16 21.974 -1.965 -14.730 1.00 0.00 H new ATOM 0 HA THR X 16 19.293 -2.419 -13.605 1.00 0.00 H new ATOM 0 HB THR X 16 20.428 -4.380 -15.610 1.00 0.00 H new ATOM 0 HG1 THR X 16 18.488 -3.144 -16.821 1.00 0.00 H new ATOM 0 HG21 THR X 16 18.062 -5.081 -15.757 1.00 0.00 H new ATOM 0 HG22 THR X 16 18.652 -5.149 -14.079 1.00 0.00 H new ATOM 0 HG23 THR X 16 17.611 -3.803 -14.603 1.00 0.00 H new ATOM 271 N THR X 17 20.380 -3.960 -11.979 1.00 0.00 N ATOM 272 CA THR X 17 21.055 -4.785 -10.972 1.00 0.00 C ATOM 273 C THR X 17 20.117 -5.869 -10.444 1.00 0.00 C ATOM 274 O THR X 17 18.894 -5.738 -10.514 1.00 0.00 O ATOM 275 CB THR X 17 21.532 -3.902 -9.809 1.00 0.00 C ATOM 276 OG1 THR X 17 22.008 -2.668 -10.327 1.00 0.00 O ATOM 277 CG2 THR X 17 22.662 -4.603 -9.044 1.00 0.00 C ATOM 0 H THR X 17 19.465 -3.610 -11.695 1.00 0.00 H new ATOM 0 HA THR X 17 21.914 -5.266 -11.440 1.00 0.00 H new ATOM 0 HB THR X 17 20.700 -3.724 -9.128 1.00 0.00 H new ATOM 0 HG1 THR X 17 22.312 -2.099 -9.589 1.00 0.00 H new ATOM 0 HG21 THR X 17 22.993 -3.969 -8.222 1.00 0.00 H new ATOM 0 HG22 THR X 17 22.299 -5.551 -8.647 1.00 0.00 H new ATOM 0 HG23 THR X 17 23.498 -4.788 -9.719 1.00 0.00 H new ATOM 285 N THR X 18 20.706 -6.940 -9.917 1.00 0.00 N ATOM 286 CA THR X 18 19.938 -8.053 -9.376 1.00 0.00 C ATOM 287 C THR X 18 20.707 -8.705 -8.229 1.00 0.00 C ATOM 288 O THR X 18 21.936 -8.643 -8.180 1.00 0.00 O ATOM 289 CB THR X 18 19.651 -9.085 -10.476 1.00 0.00 C ATOM 290 OG1 THR X 18 18.651 -9.986 -10.023 1.00 0.00 O ATOM 291 CG2 THR X 18 20.924 -9.864 -10.813 1.00 0.00 C ATOM 0 H THR X 18 21.717 -7.058 -9.854 1.00 0.00 H new ATOM 0 HA THR X 18 18.988 -7.676 -8.997 1.00 0.00 H new ATOM 0 HB THR X 18 19.305 -8.567 -11.371 1.00 0.00 H new ATOM 0 HG1 THR X 18 18.464 -10.646 -10.723 1.00 0.00 H new ATOM 0 HG21 THR X 18 20.708 -10.593 -11.594 1.00 0.00 H new ATOM 0 HG22 THR X 18 21.691 -9.173 -11.163 1.00 0.00 H new ATOM 0 HG23 THR X 18 21.280 -10.381 -9.922 1.00 0.00 H new ATOM 299 N GLU X 19 19.976 -9.324 -7.310 1.00 0.00 N ATOM 300 CA GLU X 19 20.590 -9.986 -6.158 1.00 0.00 C ATOM 301 C GLU X 19 20.583 -11.499 -6.364 1.00 0.00 C ATOM 302 O GLU X 19 19.542 -12.148 -6.258 1.00 0.00 O ATOM 303 CB GLU X 19 19.799 -9.626 -4.890 1.00 0.00 C ATOM 304 CG GLU X 19 20.248 -10.493 -3.707 1.00 0.00 C ATOM 305 CD GLU X 19 21.765 -10.469 -3.582 1.00 0.00 C ATOM 306 OE1 GLU X 19 22.306 -9.395 -3.372 1.00 0.00 O ATOM 307 OE2 GLU X 19 22.366 -11.523 -3.697 1.00 0.00 O ATOM 0 H GLU X 19 18.958 -9.383 -7.337 1.00 0.00 H new ATOM 0 HA GLU X 19 21.622 -9.651 -6.051 1.00 0.00 H new ATOM 0 HB2 GLU X 19 19.945 -8.572 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU X 19 18.733 -9.768 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU X 19 19.794 -10.127 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU X 19 19.904 -11.518 -3.847 1.00 0.00 H new ATOM 314 N ALA X 20 21.760 -12.052 -6.670 1.00 0.00 N ATOM 315 CA ALA X 20 21.901 -13.492 -6.903 1.00 0.00 C ATOM 316 C ALA X 20 23.150 -14.030 -6.216 1.00 0.00 C ATOM 317 O ALA X 20 24.046 -13.270 -5.845 1.00 0.00 O ATOM 318 CB ALA X 20 22.005 -13.770 -8.405 1.00 0.00 C ATOM 0 H ALA X 20 22.628 -11.525 -6.762 1.00 0.00 H new ATOM 0 HA ALA X 20 21.023 -13.989 -6.491 1.00 0.00 H new ATOM 0 HB1 ALA X 20 22.110 -14.842 -8.570 1.00 0.00 H new ATOM 0 HB2 ALA X 20 21.105 -13.412 -8.904 1.00 0.00 H new ATOM 0 HB3 ALA X 20 22.875 -13.254 -8.811 1.00 0.00 H new ATOM 324 N VAL X 21 23.206 -15.350 -6.064 1.00 0.00 N ATOM 325 CA VAL X 21 24.347 -15.998 -5.439 1.00 0.00 C ATOM 326 C VAL X 21 25.380 -16.340 -6.504 1.00 0.00 C ATOM 327 O VAL X 21 26.584 -16.199 -6.287 1.00 0.00 O ATOM 328 CB VAL X 21 23.881 -17.276 -4.721 1.00 0.00 C ATOM 329 CG1 VAL X 21 22.836 -17.995 -5.577 1.00 0.00 C ATOM 330 CG2 VAL X 21 25.070 -18.216 -4.480 1.00 0.00 C ATOM 0 H VAL X 21 22.472 -15.990 -6.367 1.00 0.00 H new ATOM 0 HA VAL X 21 24.798 -15.326 -4.709 1.00 0.00 H new ATOM 0 HB VAL X 21 23.445 -16.998 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL X 21 22.507 -18.900 -5.066 1.00 0.00 H new ATOM 0 HG12 VAL X 21 21.981 -17.338 -5.736 1.00 0.00 H new ATOM 0 HG13 VAL X 21 23.274 -18.260 -6.539 1.00 0.00 H new ATOM 0 HG21 VAL X 21 24.725 -19.116 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL X 21 25.518 -18.489 -5.436 1.00 0.00 H new ATOM 0 HG23 VAL X 21 25.813 -17.712 -3.862 1.00 0.00 H new ATOM 340 N ASP X 22 24.899 -16.809 -7.652 1.00 0.00 N ATOM 341 CA ASP X 22 25.787 -17.194 -8.754 1.00 0.00 C ATOM 342 C ASP X 22 25.795 -16.143 -9.854 1.00 0.00 C ATOM 343 O ASP X 22 24.841 -15.384 -10.017 1.00 0.00 O ATOM 344 CB ASP X 22 25.335 -18.529 -9.344 1.00 0.00 C ATOM 345 CG ASP X 22 25.602 -19.654 -8.350 1.00 0.00 C ATOM 346 OD1 ASP X 22 26.763 -19.923 -8.088 1.00 0.00 O ATOM 347 OD2 ASP X 22 24.643 -20.232 -7.868 1.00 0.00 O ATOM 0 H ASP X 22 23.905 -16.933 -7.847 1.00 0.00 H new ATOM 0 HA ASP X 22 26.796 -17.284 -8.351 1.00 0.00 H new ATOM 0 HB2 ASP X 22 24.273 -18.489 -9.584 1.00 0.00 H new ATOM 0 HB3 ASP X 22 25.865 -18.722 -10.276 1.00 0.00 H new ATOM 352 N ALA X 23 26.885 -16.113 -10.609 1.00 0.00 N ATOM 353 CA ALA X 23 27.026 -15.162 -11.705 1.00 0.00 C ATOM 354 C ALA X 23 26.175 -15.580 -12.903 1.00 0.00 C ATOM 355 O ALA X 23 25.485 -14.757 -13.503 1.00 0.00 O ATOM 356 CB ALA X 23 28.492 -15.074 -12.127 1.00 0.00 C ATOM 0 H ALA X 23 27.684 -16.735 -10.483 1.00 0.00 H new ATOM 0 HA ALA X 23 26.683 -14.187 -11.359 1.00 0.00 H new ATOM 0 HB1 ALA X 23 28.593 -14.362 -12.946 1.00 0.00 H new ATOM 0 HB2 ALA X 23 29.095 -14.742 -11.282 1.00 0.00 H new ATOM 0 HB3 ALA X 23 28.836 -16.055 -12.454 1.00 0.00 H new ATOM 362 N ALA X 24 26.247 -16.862 -13.251 1.00 0.00 N ATOM 363 CA ALA X 24 25.497 -17.384 -14.393 1.00 0.00 C ATOM 364 C ALA X 24 23.973 -17.274 -14.166 1.00 0.00 C ATOM 365 O ALA X 24 23.235 -16.952 -15.098 1.00 0.00 O ATOM 366 CB ALA X 24 25.877 -18.847 -14.647 1.00 0.00 C ATOM 0 H ALA X 24 26.813 -17.556 -12.763 1.00 0.00 H new ATOM 0 HA ALA X 24 25.755 -16.782 -15.264 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.313 -19.227 -15.499 1.00 0.00 H new ATOM 0 HB2 ALA X 24 26.944 -18.914 -14.859 1.00 0.00 H new ATOM 0 HB3 ALA X 24 25.644 -19.442 -13.764 1.00 0.00 H new ATOM 372 N THR X 25 23.497 -17.546 -12.937 1.00 0.00 N ATOM 373 CA THR X 25 22.063 -17.470 -12.660 1.00 0.00 C ATOM 374 C THR X 25 21.554 -16.036 -12.841 1.00 0.00 C ATOM 375 O THR X 25 20.421 -15.822 -13.272 1.00 0.00 O ATOM 376 CB THR X 25 21.758 -17.993 -11.235 1.00 0.00 C ATOM 377 OG1 THR X 25 20.435 -18.509 -11.207 1.00 0.00 O ATOM 378 CG2 THR X 25 21.884 -16.878 -10.182 1.00 0.00 C ATOM 0 H THR X 25 24.075 -17.814 -12.140 1.00 0.00 H new ATOM 0 HA THR X 25 21.538 -18.105 -13.373 1.00 0.00 H new ATOM 0 HB THR X 25 22.483 -18.770 -10.994 1.00 0.00 H new ATOM 0 HG1 THR X 25 20.234 -18.844 -10.308 1.00 0.00 H new ATOM 0 HG21 THR X 25 21.663 -17.283 -9.195 1.00 0.00 H new ATOM 0 HG22 THR X 25 22.899 -16.481 -10.192 1.00 0.00 H new ATOM 0 HG23 THR X 25 21.180 -16.079 -10.412 1.00 0.00 H new ATOM 386 N ALA X 26 22.398 -15.062 -12.513 1.00 0.00 N ATOM 387 CA ALA X 26 22.022 -13.657 -12.646 1.00 0.00 C ATOM 388 C ALA X 26 21.880 -13.277 -14.117 1.00 0.00 C ATOM 389 O ALA X 26 21.024 -12.471 -14.483 1.00 0.00 O ATOM 390 CB ALA X 26 23.077 -12.768 -11.980 1.00 0.00 C ATOM 0 H ALA X 26 23.341 -15.217 -12.156 1.00 0.00 H new ATOM 0 HA ALA X 26 21.062 -13.508 -12.153 1.00 0.00 H new ATOM 0 HB1 ALA X 26 22.789 -11.722 -12.084 1.00 0.00 H new ATOM 0 HB2 ALA X 26 23.151 -13.021 -10.922 1.00 0.00 H new ATOM 0 HB3 ALA X 26 24.043 -12.928 -12.460 1.00 0.00 H new ATOM 396 N GLU X 27 22.735 -13.858 -14.951 1.00 0.00 N ATOM 397 CA GLU X 27 22.716 -13.575 -16.383 1.00 0.00 C ATOM 398 C GLU X 27 21.365 -13.947 -16.992 1.00 0.00 C ATOM 399 O GLU X 27 20.945 -13.358 -17.981 1.00 0.00 O ATOM 400 CB GLU X 27 23.873 -14.340 -17.085 1.00 0.00 C ATOM 401 CG GLU X 27 23.353 -15.543 -17.897 1.00 0.00 C ATOM 402 CD GLU X 27 24.518 -16.394 -18.387 1.00 0.00 C ATOM 403 OE1 GLU X 27 24.953 -17.254 -17.639 1.00 0.00 O ATOM 404 OE2 GLU X 27 24.957 -16.176 -19.505 1.00 0.00 O ATOM 0 H GLU X 27 23.449 -14.527 -14.662 1.00 0.00 H new ATOM 0 HA GLU X 27 22.862 -12.505 -16.534 1.00 0.00 H new ATOM 0 HB2 GLU X 27 24.410 -13.660 -17.746 1.00 0.00 H new ATOM 0 HB3 GLU X 27 24.586 -14.687 -16.337 1.00 0.00 H new ATOM 0 HG2 GLU X 27 22.687 -16.146 -17.280 1.00 0.00 H new ATOM 0 HG3 GLU X 27 22.768 -15.191 -18.747 1.00 0.00 H new ATOM 411 N LYS X 28 20.701 -14.934 -16.414 1.00 0.00 N ATOM 412 CA LYS X 28 19.417 -15.372 -16.948 1.00 0.00 C ATOM 413 C LYS X 28 18.447 -14.203 -17.023 1.00 0.00 C ATOM 414 O LYS X 28 17.726 -14.045 -18.008 1.00 0.00 O ATOM 415 CB LYS X 28 18.828 -16.475 -16.064 1.00 0.00 C ATOM 416 CG LYS X 28 19.758 -17.692 -16.067 1.00 0.00 C ATOM 417 CD LYS X 28 19.004 -18.923 -15.544 1.00 0.00 C ATOM 418 CE LYS X 28 18.352 -18.598 -14.185 1.00 0.00 C ATOM 419 NZ LYS X 28 17.918 -19.877 -13.486 1.00 0.00 N ATOM 0 H LYS X 28 21.020 -15.441 -15.589 1.00 0.00 H new ATOM 0 HA LYS X 28 19.576 -15.764 -17.953 1.00 0.00 H new ATOM 0 HB2 LYS X 28 18.698 -16.108 -15.046 1.00 0.00 H new ATOM 0 HB3 LYS X 28 17.841 -16.759 -16.429 1.00 0.00 H new ATOM 0 HG2 LYS X 28 20.123 -17.880 -17.077 1.00 0.00 H new ATOM 0 HG3 LYS X 28 20.630 -17.496 -15.444 1.00 0.00 H new ATOM 0 HD2 LYS X 28 18.241 -19.225 -16.261 1.00 0.00 H new ATOM 0 HD3 LYS X 28 19.690 -19.763 -15.437 1.00 0.00 H new ATOM 0 HE2 LYS X 28 19.057 -18.054 -13.557 1.00 0.00 H new ATOM 0 HE3 LYS X 28 17.490 -17.947 -14.334 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 17.481 -19.642 -12.572 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 17.229 -20.381 -14.080 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 18.747 -20.484 -13.327 1.00 0.00 H new ATOM 433 N VAL X 29 18.440 -13.376 -15.988 1.00 0.00 N ATOM 434 CA VAL X 29 17.559 -12.217 -15.966 1.00 0.00 C ATOM 435 C VAL X 29 18.024 -11.171 -16.979 1.00 0.00 C ATOM 436 O VAL X 29 17.244 -10.694 -17.798 1.00 0.00 O ATOM 437 CB VAL X 29 17.538 -11.603 -14.567 1.00 0.00 C ATOM 438 CG1 VAL X 29 16.402 -10.585 -14.472 1.00 0.00 C ATOM 439 CG2 VAL X 29 17.322 -12.707 -13.530 1.00 0.00 C ATOM 0 H VAL X 29 19.027 -13.483 -15.161 1.00 0.00 H new ATOM 0 HA VAL X 29 16.554 -12.543 -16.233 1.00 0.00 H new ATOM 0 HB VAL X 29 18.488 -11.104 -14.375 1.00 0.00 H new ATOM 0 HG11 VAL X 29 16.388 -10.148 -13.474 1.00 0.00 H new ATOM 0 HG12 VAL X 29 16.556 -9.798 -15.211 1.00 0.00 H new ATOM 0 HG13 VAL X 29 15.451 -11.082 -14.664 1.00 0.00 H new ATOM 0 HG21 VAL X 29 17.307 -12.270 -12.531 1.00 0.00 H new ATOM 0 HG22 VAL X 29 16.372 -13.206 -13.722 1.00 0.00 H new ATOM 0 HG23 VAL X 29 18.133 -13.432 -13.596 1.00 0.00 H new ATOM 449 N PHE X 30 19.304 -10.815 -16.903 1.00 0.00 N ATOM 450 CA PHE X 30 19.880 -9.813 -17.797 1.00 0.00 C ATOM 451 C PHE X 30 19.813 -10.247 -19.263 1.00 0.00 C ATOM 452 O PHE X 30 19.493 -9.439 -20.135 1.00 0.00 O ATOM 453 CB PHE X 30 21.343 -9.555 -17.418 1.00 0.00 C ATOM 454 CG PHE X 30 21.425 -8.971 -16.020 1.00 0.00 C ATOM 455 CD1 PHE X 30 20.830 -7.733 -15.734 1.00 0.00 C ATOM 456 CD2 PHE X 30 22.102 -9.666 -15.006 1.00 0.00 C ATOM 457 CE1 PHE X 30 20.911 -7.196 -14.443 1.00 0.00 C ATOM 458 CE2 PHE X 30 22.182 -9.126 -13.718 1.00 0.00 C ATOM 459 CZ PHE X 30 21.588 -7.891 -13.436 1.00 0.00 C ATOM 0 H PHE X 30 19.963 -11.206 -16.230 1.00 0.00 H new ATOM 0 HA PHE X 30 19.293 -8.902 -17.684 1.00 0.00 H new ATOM 0 HB2 PHE X 30 21.908 -10.486 -17.465 1.00 0.00 H new ATOM 0 HB3 PHE X 30 21.797 -8.870 -18.134 1.00 0.00 H new ATOM 0 HD1 PHE X 30 20.309 -7.193 -16.511 1.00 0.00 H new ATOM 0 HD2 PHE X 30 22.562 -10.619 -15.220 1.00 0.00 H new ATOM 0 HE1 PHE X 30 20.450 -6.244 -14.225 1.00 0.00 H new ATOM 0 HE2 PHE X 30 22.703 -9.663 -12.940 1.00 0.00 H new ATOM 0 HZ PHE X 30 21.652 -7.475 -12.441 1.00 0.00 H new ATOM 469 N LYS X 31 20.124 -11.512 -19.539 1.00 0.00 N ATOM 470 CA LYS X 31 20.095 -11.998 -20.913 1.00 0.00 C ATOM 471 C LYS X 31 18.686 -11.891 -21.495 1.00 0.00 C ATOM 472 O LYS X 31 18.492 -11.347 -22.583 1.00 0.00 O ATOM 473 CB LYS X 31 20.575 -13.459 -20.969 1.00 0.00 C ATOM 474 CG LYS X 31 21.129 -13.785 -22.371 1.00 0.00 C ATOM 475 CD LYS X 31 22.637 -13.473 -22.439 1.00 0.00 C ATOM 476 CE LYS X 31 23.437 -14.431 -21.531 1.00 0.00 C ATOM 477 NZ LYS X 31 24.741 -14.745 -22.177 1.00 0.00 N ATOM 0 H LYS X 31 20.394 -12.206 -18.842 1.00 0.00 H new ATOM 0 HA LYS X 31 20.765 -11.378 -21.509 1.00 0.00 H new ATOM 0 HB2 LYS X 31 21.347 -13.625 -20.218 1.00 0.00 H new ATOM 0 HB3 LYS X 31 19.749 -14.130 -20.731 1.00 0.00 H new ATOM 0 HG2 LYS X 31 20.958 -14.837 -22.601 1.00 0.00 H new ATOM 0 HG3 LYS X 31 20.597 -13.203 -23.124 1.00 0.00 H new ATOM 0 HD2 LYS X 31 22.986 -13.564 -23.468 1.00 0.00 H new ATOM 0 HD3 LYS X 31 22.814 -12.442 -22.133 1.00 0.00 H new ATOM 0 HE2 LYS X 31 23.602 -13.973 -20.556 1.00 0.00 H new ATOM 0 HE3 LYS X 31 22.872 -15.347 -21.362 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 25.311 -15.336 -21.539 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 24.573 -15.258 -23.066 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 25.250 -13.861 -22.378 1.00 0.00 H new ATOM 491 N GLN X 32 17.709 -12.421 -20.766 1.00 0.00 N ATOM 492 CA GLN X 32 16.325 -12.389 -21.219 1.00 0.00 C ATOM 493 C GLN X 32 15.734 -10.986 -21.097 1.00 0.00 C ATOM 494 O GLN X 32 14.930 -10.570 -21.931 1.00 0.00 O ATOM 495 CB GLN X 32 15.493 -13.366 -20.392 1.00 0.00 C ATOM 496 CG GLN X 32 14.135 -13.577 -21.064 1.00 0.00 C ATOM 497 CD GLN X 32 13.333 -14.626 -20.301 1.00 0.00 C ATOM 498 OE1 GLN X 32 13.106 -14.483 -19.099 1.00 0.00 O ATOM 499 NE2 GLN X 32 12.883 -15.689 -20.935 1.00 0.00 N ATOM 0 H GLN X 32 17.850 -12.875 -19.864 1.00 0.00 H new ATOM 0 HA GLN X 32 16.304 -12.678 -22.270 1.00 0.00 H new ATOM 0 HB2 GLN X 32 16.016 -14.318 -20.299 1.00 0.00 H new ATOM 0 HB3 GLN X 32 15.355 -12.978 -19.383 1.00 0.00 H new ATOM 0 HG2 GLN X 32 13.584 -12.637 -21.093 1.00 0.00 H new ATOM 0 HG3 GLN X 32 14.277 -13.896 -22.097 1.00 0.00 H new ATOM 0 HE21 GLN X 32 13.071 -15.807 -21.931 1.00 0.00 H new ATOM 0 HE22 GLN X 32 12.346 -16.394 -20.431 1.00 0.00 H new ATOM 508 N TYR X 33 16.125 -10.266 -20.052 1.00 0.00 N ATOM 509 CA TYR X 33 15.614 -8.923 -19.833 1.00 0.00 C ATOM 510 C TYR X 33 15.993 -7.996 -20.986 1.00 0.00 C ATOM 511 O TYR X 33 15.158 -7.239 -21.480 1.00 0.00 O ATOM 512 CB TYR X 33 16.169 -8.367 -18.522 1.00 0.00 C ATOM 513 CG TYR X 33 15.793 -6.913 -18.401 1.00 0.00 C ATOM 514 CD1 TYR X 33 14.545 -6.553 -17.880 1.00 0.00 C ATOM 515 CD2 TYR X 33 16.694 -5.921 -18.809 1.00 0.00 C ATOM 516 CE1 TYR X 33 14.196 -5.202 -17.768 1.00 0.00 C ATOM 517 CE2 TYR X 33 16.344 -4.569 -18.697 1.00 0.00 C ATOM 518 CZ TYR X 33 15.097 -4.210 -18.177 1.00 0.00 C ATOM 519 OH TYR X 33 14.753 -2.879 -18.065 1.00 0.00 O ATOM 0 H TYR X 33 16.790 -10.589 -19.349 1.00 0.00 H new ATOM 0 HA TYR X 33 14.527 -8.976 -19.779 1.00 0.00 H new ATOM 0 HB2 TYR X 33 15.771 -8.929 -17.677 1.00 0.00 H new ATOM 0 HB3 TYR X 33 17.253 -8.478 -18.496 1.00 0.00 H new ATOM 0 HD1 TYR X 33 13.851 -7.318 -17.564 1.00 0.00 H new ATOM 0 HD2 TYR X 33 17.658 -6.198 -19.210 1.00 0.00 H new ATOM 0 HE1 TYR X 33 13.233 -4.924 -17.366 1.00 0.00 H new ATOM 0 HE2 TYR X 33 17.038 -3.804 -19.013 1.00 0.00 H new ATOM 0 HH TYR X 33 15.561 -2.343 -17.920 1.00 0.00 H new ATOM 529 N ALA X 34 17.252 -8.048 -21.402 1.00 0.00 N ATOM 530 CA ALA X 34 17.711 -7.190 -22.486 1.00 0.00 C ATOM 531 C ALA X 34 16.893 -7.462 -23.754 1.00 0.00 C ATOM 532 O ALA X 34 16.501 -6.527 -24.453 1.00 0.00 O ATOM 533 CB ALA X 34 19.202 -7.430 -22.754 1.00 0.00 C ATOM 0 H ALA X 34 17.964 -8.666 -21.012 1.00 0.00 H new ATOM 0 HA ALA X 34 17.572 -6.149 -22.195 1.00 0.00 H new ATOM 0 HB1 ALA X 34 19.534 -6.783 -23.566 1.00 0.00 H new ATOM 0 HB2 ALA X 34 19.774 -7.205 -21.854 1.00 0.00 H new ATOM 0 HB3 ALA X 34 19.358 -8.472 -23.033 1.00 0.00 H new ATOM 539 N ASN X 35 16.613 -8.740 -24.036 1.00 0.00 N ATOM 540 CA ASN X 35 15.822 -9.080 -25.199 1.00 0.00 C ATOM 541 C ASN X 35 14.448 -8.429 -25.071 1.00 0.00 C ATOM 542 O ASN X 35 13.926 -7.853 -26.025 1.00 0.00 O ATOM 543 CB ASN X 35 15.674 -10.597 -25.304 1.00 0.00 C ATOM 544 CG ASN X 35 15.200 -10.976 -26.706 1.00 0.00 C ATOM 545 OD1 ASN X 35 14.313 -10.322 -27.255 1.00 0.00 O ATOM 546 ND2 ASN X 35 15.738 -11.999 -27.323 1.00 0.00 N ATOM 0 H ASN X 35 16.922 -9.536 -23.478 1.00 0.00 H new ATOM 0 HA ASN X 35 16.317 -8.716 -26.099 1.00 0.00 H new ATOM 0 HB2 ASN X 35 16.627 -11.080 -25.090 1.00 0.00 H new ATOM 0 HB3 ASN X 35 14.961 -10.954 -24.561 1.00 0.00 H new ATOM 0 HD21 ASN X 35 15.422 -12.254 -28.259 1.00 0.00 H new ATOM 0 HD22 ASN X 35 16.473 -12.540 -26.868 1.00 0.00 H new ATOM 553 N ASP X 36 13.882 -8.513 -23.867 1.00 0.00 N ATOM 554 CA ASP X 36 12.582 -7.919 -23.596 1.00 0.00 C ATOM 555 C ASP X 36 12.668 -6.398 -23.671 1.00 0.00 C ATOM 556 O ASP X 36 11.675 -5.723 -23.939 1.00 0.00 O ATOM 557 CB ASP X 36 12.109 -8.335 -22.200 1.00 0.00 C ATOM 558 CG ASP X 36 12.420 -9.808 -21.972 1.00 0.00 C ATOM 559 OD1 ASP X 36 12.560 -10.522 -22.950 1.00 0.00 O ATOM 560 OD2 ASP X 36 12.513 -10.203 -20.821 1.00 0.00 O ATOM 0 H ASP X 36 14.305 -8.986 -23.069 1.00 0.00 H new ATOM 0 HA ASP X 36 11.872 -8.270 -24.345 1.00 0.00 H new ATOM 0 HB2 ASP X 36 12.603 -7.727 -21.442 1.00 0.00 H new ATOM 0 HB3 ASP X 36 11.038 -8.160 -22.101 1.00 0.00 H new ATOM 565 N ASN X 37 13.861 -5.865 -23.412 1.00 0.00 N ATOM 566 CA ASN X 37 14.064 -4.423 -23.430 1.00 0.00 C ATOM 567 C ASN X 37 14.320 -3.924 -24.861 1.00 0.00 C ATOM 568 O ASN X 37 14.030 -2.771 -25.180 1.00 0.00 O ATOM 569 CB ASN X 37 15.257 -4.082 -22.507 1.00 0.00 C ATOM 570 CG ASN X 37 14.922 -2.946 -21.536 1.00 0.00 C ATOM 571 OD1 ASN X 37 13.821 -2.396 -21.551 1.00 0.00 O ATOM 572 ND2 ASN X 37 15.829 -2.556 -20.685 1.00 0.00 N ATOM 0 H ASN X 37 14.695 -6.408 -23.189 1.00 0.00 H new ATOM 0 HA ASN X 37 13.166 -3.923 -23.068 1.00 0.00 H new ATOM 0 HB2 ASN X 37 15.544 -4.969 -21.942 1.00 0.00 H new ATOM 0 HB3 ASN X 37 16.116 -3.799 -23.115 1.00 0.00 H new ATOM 0 HD21 ASN X 37 15.625 -1.797 -20.034 1.00 0.00 H new ATOM 0 HD22 ASN X 37 16.743 -3.009 -20.670 1.00 0.00 H new ATOM 579 N GLY X 38 14.840 -4.803 -25.723 1.00 0.00 N ATOM 580 CA GLY X 38 15.105 -4.443 -27.122 1.00 0.00 C ATOM 581 C GLY X 38 16.599 -4.465 -27.454 1.00 0.00 C ATOM 582 O GLY X 38 16.982 -4.853 -28.558 1.00 0.00 O ATOM 0 H GLY X 38 15.085 -5.763 -25.480 1.00 0.00 H new ATOM 0 HA2 GLY X 38 14.579 -5.135 -27.779 1.00 0.00 H new ATOM 0 HA3 GLY X 38 14.705 -3.449 -27.321 1.00 0.00 H new ATOM 586 N VAL X 39 17.441 -4.034 -26.515 1.00 0.00 N ATOM 587 CA VAL X 39 18.885 -4.005 -26.761 1.00 0.00 C ATOM 588 C VAL X 39 19.506 -5.393 -26.567 1.00 0.00 C ATOM 589 O VAL X 39 19.628 -5.884 -25.447 1.00 0.00 O ATOM 590 CB VAL X 39 19.549 -2.970 -25.831 1.00 0.00 C ATOM 591 CG1 VAL X 39 18.958 -3.072 -24.425 1.00 0.00 C ATOM 592 CG2 VAL X 39 21.063 -3.204 -25.757 1.00 0.00 C ATOM 0 H VAL X 39 17.157 -3.705 -25.592 1.00 0.00 H new ATOM 0 HA VAL X 39 19.058 -3.712 -27.797 1.00 0.00 H new ATOM 0 HB VAL X 39 19.360 -1.977 -26.238 1.00 0.00 H new ATOM 0 HG11 VAL X 39 19.434 -2.337 -23.776 1.00 0.00 H new ATOM 0 HG12 VAL X 39 17.886 -2.880 -24.466 1.00 0.00 H new ATOM 0 HG13 VAL X 39 19.132 -4.072 -24.029 1.00 0.00 H new ATOM 0 HG21 VAL X 39 21.514 -2.464 -25.096 1.00 0.00 H new ATOM 0 HG22 VAL X 39 21.258 -4.204 -25.369 1.00 0.00 H new ATOM 0 HG23 VAL X 39 21.495 -3.111 -26.754 1.00 0.00 H new ATOM 602 N ASP X 40 19.907 -6.012 -27.680 1.00 0.00 N ATOM 603 CA ASP X 40 20.533 -7.339 -27.650 1.00 0.00 C ATOM 604 C ASP X 40 21.863 -7.303 -28.409 1.00 0.00 C ATOM 605 O ASP X 40 21.874 -7.155 -29.631 1.00 0.00 O ATOM 606 CB ASP X 40 19.591 -8.366 -28.297 1.00 0.00 C ATOM 607 CG ASP X 40 19.965 -9.784 -27.866 1.00 0.00 C ATOM 608 OD1 ASP X 40 20.018 -10.023 -26.671 1.00 0.00 O ATOM 609 OD2 ASP X 40 20.192 -10.606 -28.738 1.00 0.00 O ATOM 0 H ASP X 40 19.810 -5.616 -28.615 1.00 0.00 H new ATOM 0 HA ASP X 40 20.722 -7.625 -26.615 1.00 0.00 H new ATOM 0 HB2 ASP X 40 18.561 -8.153 -28.012 1.00 0.00 H new ATOM 0 HB3 ASP X 40 19.645 -8.284 -29.383 1.00 0.00 H new ATOM 614 N GLY X 41 22.991 -7.429 -27.692 1.00 0.00 N ATOM 615 CA GLY X 41 24.304 -7.393 -28.346 1.00 0.00 C ATOM 616 C GLY X 41 25.281 -8.397 -27.724 1.00 0.00 C ATOM 617 O GLY X 41 24.867 -9.379 -27.109 1.00 0.00 O ATOM 0 H GLY X 41 23.020 -7.554 -26.680 1.00 0.00 H new ATOM 0 HA2 GLY X 41 24.187 -7.611 -29.408 1.00 0.00 H new ATOM 0 HA3 GLY X 41 24.719 -6.388 -28.271 1.00 0.00 H new ATOM 621 N GLU X 42 26.585 -8.143 -27.896 1.00 0.00 N ATOM 622 CA GLU X 42 27.601 -9.023 -27.358 1.00 0.00 C ATOM 623 C GLU X 42 27.722 -8.830 -25.850 1.00 0.00 C ATOM 624 O GLU X 42 27.768 -7.704 -25.360 1.00 0.00 O ATOM 625 CB GLU X 42 28.947 -8.745 -28.032 1.00 0.00 C ATOM 626 CG GLU X 42 28.721 -8.461 -29.519 1.00 0.00 C ATOM 627 CD GLU X 42 30.060 -8.382 -30.245 1.00 0.00 C ATOM 628 OE1 GLU X 42 30.849 -9.302 -30.096 1.00 0.00 O ATOM 629 OE2 GLU X 42 30.278 -7.403 -30.938 1.00 0.00 O ATOM 0 H GLU X 42 26.948 -7.336 -28.403 1.00 0.00 H new ATOM 0 HA GLU X 42 27.312 -10.055 -27.557 1.00 0.00 H new ATOM 0 HB2 GLU X 42 29.435 -7.893 -27.558 1.00 0.00 H new ATOM 0 HB3 GLU X 42 29.611 -9.601 -27.911 1.00 0.00 H new ATOM 0 HG2 GLU X 42 28.106 -9.246 -29.958 1.00 0.00 H new ATOM 0 HG3 GLU X 42 28.177 -7.524 -29.640 1.00 0.00 H new ATOM 636 N TRP X 43 27.751 -9.944 -25.124 1.00 0.00 N ATOM 637 CA TRP X 43 27.837 -9.914 -23.667 1.00 0.00 C ATOM 638 C TRP X 43 29.262 -10.116 -23.174 1.00 0.00 C ATOM 639 O TRP X 43 30.129 -10.614 -23.889 1.00 0.00 O ATOM 640 CB TRP X 43 26.949 -11.016 -23.090 1.00 0.00 C ATOM 641 CG TRP X 43 25.515 -10.629 -23.256 1.00 0.00 C ATOM 642 CD1 TRP X 43 24.762 -10.851 -24.359 1.00 0.00 C ATOM 643 CD2 TRP X 43 24.658 -9.948 -22.306 1.00 0.00 C ATOM 644 NE1 TRP X 43 23.496 -10.338 -24.143 1.00 0.00 N ATOM 645 CE2 TRP X 43 23.384 -9.775 -22.889 1.00 0.00 C ATOM 646 CE3 TRP X 43 24.868 -9.468 -21.006 1.00 0.00 C ATOM 647 CZ2 TRP X 43 22.350 -9.145 -22.202 1.00 0.00 C ATOM 648 CZ3 TRP X 43 23.831 -8.834 -20.311 1.00 0.00 C ATOM 649 CH2 TRP X 43 22.572 -8.673 -20.908 1.00 0.00 C ATOM 0 H TRP X 43 27.716 -10.882 -25.523 1.00 0.00 H new ATOM 0 HA TRP X 43 27.503 -8.931 -23.334 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.144 -11.960 -23.598 1.00 0.00 H new ATOM 0 HB3 TRP X 43 27.177 -11.168 -22.035 1.00 0.00 H new ATOM 0 HD1 TRP X 43 25.095 -11.347 -25.259 1.00 0.00 H new ATOM 0 HE1 TRP X 43 22.739 -10.372 -24.826 1.00 0.00 H new ATOM 0 HE3 TRP X 43 25.834 -9.588 -20.538 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 21.383 -9.023 -22.667 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 24.001 -8.467 -19.310 1.00 0.00 H new ATOM 0 HH2 TRP X 43 21.775 -8.184 -20.367 1.00 0.00 H new ATOM 660 N THR X 44 29.469 -9.723 -21.926 1.00 0.00 N ATOM 661 CA THR X 44 30.768 -9.849 -21.274 1.00 0.00 C ATOM 662 C THR X 44 30.560 -9.864 -19.758 1.00 0.00 C ATOM 663 O THR X 44 29.461 -9.577 -19.284 1.00 0.00 O ATOM 664 CB THR X 44 31.669 -8.674 -21.674 1.00 0.00 C ATOM 665 OG1 THR X 44 32.848 -8.695 -20.879 1.00 0.00 O ATOM 666 CG2 THR X 44 30.930 -7.352 -21.455 1.00 0.00 C ATOM 0 H THR X 44 28.746 -9.309 -21.337 1.00 0.00 H new ATOM 0 HA THR X 44 31.251 -10.776 -21.585 1.00 0.00 H new ATOM 0 HB THR X 44 31.933 -8.765 -22.728 1.00 0.00 H new ATOM 0 HG1 THR X 44 33.427 -7.946 -21.133 1.00 0.00 H new ATOM 0 HG21 THR X 44 31.576 -6.522 -21.741 1.00 0.00 H new ATOM 0 HG22 THR X 44 30.026 -7.335 -22.064 1.00 0.00 H new ATOM 0 HG23 THR X 44 30.660 -7.256 -20.403 1.00 0.00 H new ATOM 674 N TYR X 45 31.599 -10.194 -18.991 1.00 0.00 N ATOM 675 CA TYR X 45 31.449 -10.224 -17.544 1.00 0.00 C ATOM 676 C TYR X 45 32.780 -10.463 -16.845 1.00 0.00 C ATOM 677 O TYR X 45 33.547 -11.350 -17.220 1.00 0.00 O ATOM 678 CB TYR X 45 30.450 -11.325 -17.161 1.00 0.00 C ATOM 679 CG TYR X 45 30.549 -11.671 -15.681 1.00 0.00 C ATOM 680 CD1 TYR X 45 30.518 -10.663 -14.710 1.00 0.00 C ATOM 681 CD2 TYR X 45 30.662 -13.015 -15.290 1.00 0.00 C ATOM 682 CE1 TYR X 45 30.598 -10.998 -13.351 1.00 0.00 C ATOM 683 CE2 TYR X 45 30.743 -13.346 -13.935 1.00 0.00 C ATOM 684 CZ TYR X 45 30.710 -12.341 -12.964 1.00 0.00 C ATOM 685 OH TYR X 45 30.783 -12.674 -11.627 1.00 0.00 O ATOM 0 H TYR X 45 32.527 -10.437 -19.338 1.00 0.00 H new ATOM 0 HA TYR X 45 31.077 -9.252 -17.219 1.00 0.00 H new ATOM 0 HB2 TYR X 45 29.437 -10.997 -17.393 1.00 0.00 H new ATOM 0 HB3 TYR X 45 30.641 -12.216 -17.759 1.00 0.00 H new ATOM 0 HD1 TYR X 45 30.433 -9.628 -15.008 1.00 0.00 H new ATOM 0 HD2 TYR X 45 30.686 -13.794 -16.038 1.00 0.00 H new ATOM 0 HE1 TYR X 45 30.573 -10.221 -12.601 1.00 0.00 H new ATOM 0 HE2 TYR X 45 30.831 -14.380 -13.637 1.00 0.00 H new ATOM 0 HH TYR X 45 29.905 -12.549 -11.210 1.00 0.00 H new ATOM 695 N ASP X 46 33.019 -9.681 -15.797 1.00 0.00 N ATOM 696 CA ASP X 46 34.226 -9.813 -14.995 1.00 0.00 C ATOM 697 C ASP X 46 33.821 -10.047 -13.534 1.00 0.00 C ATOM 698 O ASP X 46 33.262 -9.158 -12.891 1.00 0.00 O ATOM 699 CB ASP X 46 35.078 -8.542 -15.113 1.00 0.00 C ATOM 700 CG ASP X 46 36.181 -8.570 -14.061 1.00 0.00 C ATOM 701 OD1 ASP X 46 36.629 -9.654 -13.731 1.00 0.00 O ATOM 702 OD2 ASP X 46 36.560 -7.506 -13.601 1.00 0.00 O ATOM 0 H ASP X 46 32.387 -8.945 -15.483 1.00 0.00 H new ATOM 0 HA ASP X 46 34.818 -10.656 -15.352 1.00 0.00 H new ATOM 0 HB2 ASP X 46 35.513 -8.474 -16.110 1.00 0.00 H new ATOM 0 HB3 ASP X 46 34.454 -7.659 -14.977 1.00 0.00 H new ATOM 707 N ASP X 47 34.097 -11.245 -13.017 1.00 0.00 N ATOM 708 CA ASP X 47 33.742 -11.567 -11.639 1.00 0.00 C ATOM 709 C ASP X 47 34.553 -10.725 -10.663 1.00 0.00 C ATOM 710 O ASP X 47 34.229 -10.645 -9.480 1.00 0.00 O ATOM 711 CB ASP X 47 33.991 -13.051 -11.368 1.00 0.00 C ATOM 712 CG ASP X 47 33.539 -13.407 -9.955 1.00 0.00 C ATOM 713 OD1 ASP X 47 34.257 -13.082 -9.024 1.00 0.00 O ATOM 714 OD2 ASP X 47 32.479 -13.997 -9.826 1.00 0.00 O ATOM 0 H ASP X 47 34.559 -11.998 -13.526 1.00 0.00 H new ATOM 0 HA ASP X 47 32.684 -11.345 -11.497 1.00 0.00 H new ATOM 0 HB2 ASP X 47 33.451 -13.657 -12.095 1.00 0.00 H new ATOM 0 HB3 ASP X 47 35.050 -13.278 -11.488 1.00 0.00 H new ATOM 719 N ALA X 48 35.609 -10.101 -11.164 1.00 0.00 N ATOM 720 CA ALA X 48 36.461 -9.269 -10.324 1.00 0.00 C ATOM 721 C ALA X 48 35.837 -7.886 -10.101 1.00 0.00 C ATOM 722 O ALA X 48 36.297 -7.131 -9.244 1.00 0.00 O ATOM 723 CB ALA X 48 37.836 -9.109 -10.975 1.00 0.00 C ATOM 0 H ALA X 48 35.896 -10.154 -12.141 1.00 0.00 H new ATOM 0 HA ALA X 48 36.566 -9.761 -9.357 1.00 0.00 H new ATOM 0 HB1 ALA X 48 38.468 -8.486 -10.342 1.00 0.00 H new ATOM 0 HB2 ALA X 48 38.297 -10.089 -11.096 1.00 0.00 H new ATOM 0 HB3 ALA X 48 37.724 -8.638 -11.951 1.00 0.00 H new ATOM 729 N THR X 49 34.802 -7.542 -10.886 1.00 0.00 N ATOM 730 CA THR X 49 34.154 -6.227 -10.760 1.00 0.00 C ATOM 731 C THR X 49 32.629 -6.344 -10.625 1.00 0.00 C ATOM 732 O THR X 49 31.939 -5.324 -10.595 1.00 0.00 O ATOM 733 CB THR X 49 34.493 -5.357 -11.991 1.00 0.00 C ATOM 734 OG1 THR X 49 34.464 -6.165 -13.157 1.00 0.00 O ATOM 735 CG2 THR X 49 35.886 -4.741 -11.836 1.00 0.00 C ATOM 0 H THR X 49 34.402 -8.146 -11.604 1.00 0.00 H new ATOM 0 HA THR X 49 34.535 -5.762 -9.851 1.00 0.00 H new ATOM 0 HB THR X 49 33.758 -4.556 -12.075 1.00 0.00 H new ATOM 0 HG1 THR X 49 35.380 -6.399 -13.416 1.00 0.00 H new ATOM 0 HG21 THR X 49 36.113 -4.130 -12.710 1.00 0.00 H new ATOM 0 HG22 THR X 49 35.911 -4.118 -10.942 1.00 0.00 H new ATOM 0 HG23 THR X 49 36.627 -5.535 -11.746 1.00 0.00 H new ATOM 743 N LYS X 50 32.089 -7.566 -10.548 1.00 0.00 N ATOM 744 CA LYS X 50 30.644 -7.712 -10.426 1.00 0.00 C ATOM 745 C LYS X 50 29.922 -6.783 -11.408 1.00 0.00 C ATOM 746 O LYS X 50 29.106 -5.961 -10.993 1.00 0.00 O ATOM 747 CB LYS X 50 30.220 -7.337 -9.006 1.00 0.00 C ATOM 748 CG LYS X 50 31.013 -8.169 -7.988 1.00 0.00 C ATOM 749 CD LYS X 50 30.537 -9.646 -8.007 1.00 0.00 C ATOM 750 CE LYS X 50 31.646 -10.577 -8.510 1.00 0.00 C ATOM 751 NZ LYS X 50 31.169 -11.990 -8.441 1.00 0.00 N ATOM 0 H LYS X 50 32.615 -8.439 -10.568 1.00 0.00 H new ATOM 0 HA LYS X 50 30.380 -8.746 -10.648 1.00 0.00 H new ATOM 0 HB2 LYS X 50 30.393 -6.275 -8.834 1.00 0.00 H new ATOM 0 HB3 LYS X 50 29.152 -7.511 -8.878 1.00 0.00 H new ATOM 0 HG2 LYS X 50 32.077 -8.120 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS X 50 30.885 -7.752 -6.989 1.00 0.00 H new ATOM 0 HD2 LYS X 50 30.233 -9.946 -7.004 1.00 0.00 H new ATOM 0 HD3 LYS X 50 29.660 -9.741 -8.648 1.00 0.00 H new ATOM 0 HE2 LYS X 50 31.915 -10.321 -9.535 1.00 0.00 H new ATOM 0 HE3 LYS X 50 32.544 -10.454 -7.904 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 31.902 -12.583 -8.001 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 30.299 -12.035 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 30.973 -12.338 -9.401 1.00 0.00 H new ATOM 765 N THR X 51 30.228 -6.893 -12.704 1.00 0.00 N ATOM 766 CA THR X 51 29.586 -6.015 -13.697 1.00 0.00 C ATOM 767 C THR X 51 29.446 -6.686 -15.073 1.00 0.00 C ATOM 768 O THR X 51 30.415 -7.207 -15.623 1.00 0.00 O ATOM 769 CB THR X 51 30.404 -4.723 -13.844 1.00 0.00 C ATOM 770 OG1 THR X 51 30.584 -4.131 -12.565 1.00 0.00 O ATOM 771 CG2 THR X 51 29.664 -3.745 -14.762 1.00 0.00 C ATOM 0 H THR X 51 30.897 -7.561 -13.087 1.00 0.00 H new ATOM 0 HA THR X 51 28.582 -5.796 -13.335 1.00 0.00 H new ATOM 0 HB THR X 51 31.376 -4.957 -14.278 1.00 0.00 H new ATOM 0 HG1 THR X 51 31.324 -4.575 -12.100 1.00 0.00 H new ATOM 0 HG21 THR X 51 30.247 -2.830 -14.864 1.00 0.00 H new ATOM 0 HG22 THR X 51 29.527 -4.199 -15.743 1.00 0.00 H new ATOM 0 HG23 THR X 51 28.690 -3.509 -14.333 1.00 0.00 H new ATOM 779 N PHE X 52 28.224 -6.631 -15.635 1.00 0.00 N ATOM 780 CA PHE X 52 27.942 -7.188 -16.953 1.00 0.00 C ATOM 781 C PHE X 52 27.670 -6.042 -17.924 1.00 0.00 C ATOM 782 O PHE X 52 27.238 -4.972 -17.507 1.00 0.00 O ATOM 783 CB PHE X 52 26.702 -8.080 -16.885 1.00 0.00 C ATOM 784 CG PHE X 52 27.030 -9.375 -16.179 1.00 0.00 C ATOM 785 CD1 PHE X 52 27.408 -9.370 -14.830 1.00 0.00 C ATOM 786 CD2 PHE X 52 26.947 -10.591 -16.875 1.00 0.00 C ATOM 787 CE1 PHE X 52 27.702 -10.575 -14.183 1.00 0.00 C ATOM 788 CE2 PHE X 52 27.244 -11.794 -16.225 1.00 0.00 C ATOM 789 CZ PHE X 52 27.621 -11.786 -14.879 1.00 0.00 C ATOM 0 H PHE X 52 27.416 -6.201 -15.185 1.00 0.00 H new ATOM 0 HA PHE X 52 28.796 -7.777 -17.288 1.00 0.00 H new ATOM 0 HB2 PHE X 52 25.901 -7.562 -16.357 1.00 0.00 H new ATOM 0 HB3 PHE X 52 26.339 -8.288 -17.891 1.00 0.00 H new ATOM 0 HD1 PHE X 52 27.472 -8.437 -14.290 1.00 0.00 H new ATOM 0 HD2 PHE X 52 26.653 -10.598 -17.914 1.00 0.00 H new ATOM 0 HE1 PHE X 52 27.992 -10.570 -13.143 1.00 0.00 H new ATOM 0 HE2 PHE X 52 27.182 -12.728 -16.763 1.00 0.00 H new ATOM 0 HZ PHE X 52 27.850 -12.714 -14.377 1.00 0.00 H new ATOM 799 N THR X 53 27.905 -6.257 -19.218 1.00 0.00 N ATOM 800 CA THR X 53 27.646 -5.202 -20.203 1.00 0.00 C ATOM 801 C THR X 53 27.286 -5.813 -21.560 1.00 0.00 C ATOM 802 O THR X 53 27.988 -6.693 -22.054 1.00 0.00 O ATOM 803 CB THR X 53 28.870 -4.285 -20.368 1.00 0.00 C ATOM 804 OG1 THR X 53 29.937 -5.018 -20.940 1.00 0.00 O ATOM 805 CG2 THR X 53 29.310 -3.722 -19.010 1.00 0.00 C ATOM 0 H THR X 53 28.266 -7.129 -19.604 1.00 0.00 H new ATOM 0 HA THR X 53 26.808 -4.608 -19.837 1.00 0.00 H new ATOM 0 HB THR X 53 28.598 -3.456 -21.021 1.00 0.00 H new ATOM 0 HG1 THR X 53 30.716 -4.433 -21.046 1.00 0.00 H new ATOM 0 HG21 THR X 53 30.177 -3.076 -19.148 1.00 0.00 H new ATOM 0 HG22 THR X 53 28.494 -3.146 -18.573 1.00 0.00 H new ATOM 0 HG23 THR X 53 29.572 -4.543 -18.343 1.00 0.00 H new ATOM 813 N VAL X 54 26.191 -5.331 -22.172 1.00 0.00 N ATOM 814 CA VAL X 54 25.763 -5.832 -23.486 1.00 0.00 C ATOM 815 C VAL X 54 25.907 -4.717 -24.527 1.00 0.00 C ATOM 816 O VAL X 54 25.378 -3.621 -24.352 1.00 0.00 O ATOM 817 CB VAL X 54 24.310 -6.316 -23.420 1.00 0.00 C ATOM 818 CG1 VAL X 54 23.377 -5.126 -23.184 1.00 0.00 C ATOM 819 CG2 VAL X 54 23.937 -7.011 -24.739 1.00 0.00 C ATOM 0 H VAL X 54 25.593 -4.603 -21.782 1.00 0.00 H new ATOM 0 HA VAL X 54 26.392 -6.674 -23.774 1.00 0.00 H new ATOM 0 HB VAL X 54 24.205 -7.022 -22.597 1.00 0.00 H new ATOM 0 HG11 VAL X 54 22.346 -5.476 -23.138 1.00 0.00 H new ATOM 0 HG12 VAL X 54 23.638 -4.640 -22.244 1.00 0.00 H new ATOM 0 HG13 VAL X 54 23.482 -4.413 -24.002 1.00 0.00 H new ATOM 0 HG21 VAL X 54 22.904 -7.354 -24.690 1.00 0.00 H new ATOM 0 HG22 VAL X 54 24.047 -6.308 -25.565 1.00 0.00 H new ATOM 0 HG23 VAL X 54 24.596 -7.865 -24.899 1.00 0.00 H new ATOM 829 N THR X 55 26.658 -4.997 -25.599 1.00 0.00 N ATOM 830 CA THR X 55 26.903 -4.005 -26.659 1.00 0.00 C ATOM 831 C THR X 55 26.497 -4.545 -28.038 1.00 0.00 C ATOM 832 O THR X 55 27.021 -5.561 -28.491 1.00 0.00 O ATOM 833 CB THR X 55 28.399 -3.612 -26.666 1.00 0.00 C ATOM 834 OG1 THR X 55 28.557 -2.387 -27.366 1.00 0.00 O ATOM 835 CG2 THR X 55 29.246 -4.700 -27.350 1.00 0.00 C ATOM 0 H THR X 55 27.107 -5.899 -25.757 1.00 0.00 H new ATOM 0 HA THR X 55 26.292 -3.127 -26.451 1.00 0.00 H new ATOM 0 HB THR X 55 28.737 -3.504 -25.635 1.00 0.00 H new ATOM 0 HG1 THR X 55 29.504 -2.133 -27.371 1.00 0.00 H new ATOM 0 HG21 THR X 55 30.295 -4.402 -27.343 1.00 0.00 H new ATOM 0 HG22 THR X 55 29.133 -5.641 -26.812 1.00 0.00 H new ATOM 0 HG23 THR X 55 28.912 -4.828 -28.380 1.00 0.00 H new ATOM 843 N GLU X 56 25.563 -3.848 -28.707 1.00 0.00 N ATOM 844 CA GLU X 56 25.105 -4.259 -30.038 1.00 0.00 C ATOM 845 C GLU X 56 25.620 -3.286 -31.097 1.00 0.00 C ATOM 846 O GLU X 56 26.517 -2.521 -30.782 1.00 0.00 O ATOM 847 CB GLU X 56 23.572 -4.301 -30.070 1.00 0.00 C ATOM 848 CG GLU X 56 23.013 -3.148 -29.236 1.00 0.00 C ATOM 849 CD GLU X 56 21.492 -3.121 -29.341 1.00 0.00 C ATOM 850 OE1 GLU X 56 20.943 -4.025 -29.948 1.00 0.00 O ATOM 851 OE2 GLU X 56 20.898 -2.195 -28.812 1.00 0.00 O ATOM 852 OXT GLU X 56 25.108 -3.321 -32.205 1.00 0.00 O ATOM 0 H GLU X 56 25.116 -3.004 -28.349 1.00 0.00 H new ATOM 0 HA GLU X 56 25.496 -5.253 -30.254 1.00 0.00 H new ATOM 0 HB2 GLU X 56 23.217 -4.226 -31.098 1.00 0.00 H new ATOM 0 HB3 GLU X 56 23.215 -5.254 -29.678 1.00 0.00 H new ATOM 0 HG2 GLU X 56 23.312 -3.263 -28.194 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.427 -2.202 -29.584 1.00 0.00 H new TER 859 GLU X 56