USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 419 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 16 THR OG1 : rot -127:sc= -0.0353 USER MOD Set 1.2: X 33 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: X 1 MET N :NH3+ 160:sc= -6.09! (180deg=-6.14!) USER MOD Set 2.2: X 50 LYS NZ :NH3+ 165:sc= -0.143 (180deg=0) USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 2 GLN : amide:sc= -0.954 K(o=-0.95,f=-4.8!) USER MOD Single : X 3 TYR OH : rot 66:sc= -5.96! USER MOD Single : X 4 LYS NZ :NH3+ -173:sc= -0.353 (180deg=-0.451) USER MOD Single : X 8 ASN : amide:sc= -0.0704 X(o=-0.07,f=0) USER MOD Single : X 10 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.6) USER MOD Single : X 11 THR OG1 : rot -61:sc= 0.793 USER MOD Single : X 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 17 THR OG1 : rot 27:sc= 0.23 USER MOD Single : X 18 THR OG1 : rot 129:sc= 0.0927 USER MOD Single : X 25 THR OG1 : rot -62:sc= 0.606! USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 32 GLN : amide:sc= -0.258 K(o=-0.26,f=-1.3!) USER MOD Single : X 35 ASN :FLIP amide:sc= -0.278 F(o=-1.4,f=-0.28) USER MOD Single : X 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.145 USER MOD Single : X 45 TYR OH : rot 180:sc= -0.19 USER MOD Single : X 49 THR OG1 : rot 180:sc= -3.54! USER MOD Single : X 51 THR OG1 : rot 66:sc= 0.638 USER MOD Single : X 53 THR OG1 : rot 180:sc= -0.0792 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 13.170 6.098 15.068 1.00 0.00 N ATOM 2 CA MET X 1 14.137 5.078 15.561 1.00 0.00 C ATOM 3 C MET X 1 14.226 3.937 14.554 1.00 0.00 C ATOM 4 O MET X 1 15.148 3.124 14.598 1.00 0.00 O ATOM 5 CB MET X 1 13.667 4.544 16.916 1.00 0.00 C ATOM 6 CG MET X 1 12.210 4.087 16.810 1.00 0.00 C ATOM 7 SD MET X 1 11.423 4.197 18.436 1.00 0.00 S ATOM 8 CE MET X 1 11.885 2.550 19.024 1.00 0.00 C ATOM 0 H1 MET X 1 12.849 6.685 15.864 1.00 0.00 H new ATOM 0 H2 MET X 1 13.633 6.700 14.358 1.00 0.00 H new ATOM 0 H3 MET X 1 12.352 5.621 14.638 1.00 0.00 H new ATOM 0 HA MET X 1 15.122 5.531 15.677 1.00 0.00 H new ATOM 0 HB2 MET X 1 14.298 3.712 17.229 1.00 0.00 H new ATOM 0 HB3 MET X 1 13.761 5.319 17.676 1.00 0.00 H new ATOM 0 HG2 MET X 1 11.674 4.708 16.092 1.00 0.00 H new ATOM 0 HG3 MET X 1 12.165 3.062 16.441 1.00 0.00 H new ATOM 0 HE1 MET X 1 11.494 2.400 20.030 1.00 0.00 H new ATOM 0 HE2 MET X 1 11.468 1.795 18.357 1.00 0.00 H new ATOM 0 HE3 MET X 1 12.971 2.461 19.039 1.00 0.00 H new ATOM 19 N GLN X 2 13.257 3.883 13.647 1.00 0.00 N ATOM 20 CA GLN X 2 13.229 2.837 12.633 1.00 0.00 C ATOM 21 C GLN X 2 13.940 3.297 11.365 1.00 0.00 C ATOM 22 O GLN X 2 13.743 4.419 10.901 1.00 0.00 O ATOM 23 CB GLN X 2 11.782 2.469 12.303 1.00 0.00 C ATOM 24 CG GLN X 2 10.995 3.741 11.981 1.00 0.00 C ATOM 25 CD GLN X 2 10.738 3.828 10.480 1.00 0.00 C ATOM 26 OE1 GLN X 2 11.634 3.563 9.680 1.00 0.00 O ATOM 27 NE2 GLN X 2 9.560 4.188 10.049 1.00 0.00 N ATOM 0 H GLN X 2 12.485 4.547 13.593 1.00 0.00 H new ATOM 0 HA GLN X 2 13.746 1.963 13.028 1.00 0.00 H new ATOM 0 HB2 GLN X 2 11.753 1.786 11.454 1.00 0.00 H new ATOM 0 HB3 GLN X 2 11.326 1.950 13.146 1.00 0.00 H new ATOM 0 HG2 GLN X 2 10.048 3.740 12.521 1.00 0.00 H new ATOM 0 HG3 GLN X 2 11.551 4.617 12.315 1.00 0.00 H new ATOM 0 HE21 GLN X 2 8.819 4.407 10.714 1.00 0.00 H new ATOM 0 HE22 GLN X 2 9.381 4.250 9.047 1.00 0.00 H new ATOM 36 N TYR X 3 14.765 2.416 10.810 1.00 0.00 N ATOM 37 CA TYR X 3 15.502 2.729 9.592 1.00 0.00 C ATOM 38 C TYR X 3 15.203 1.704 8.518 1.00 0.00 C ATOM 39 O TYR X 3 14.939 0.537 8.811 1.00 0.00 O ATOM 40 CB TYR X 3 17.003 2.736 9.875 1.00 0.00 C ATOM 41 CG TYR X 3 17.210 2.849 11.361 1.00 0.00 C ATOM 42 CD1 TYR X 3 16.990 1.737 12.181 1.00 0.00 C ATOM 43 CD2 TYR X 3 17.602 4.069 11.922 1.00 0.00 C ATOM 44 CE1 TYR X 3 17.165 1.844 13.563 1.00 0.00 C ATOM 45 CE2 TYR X 3 17.772 4.177 13.303 1.00 0.00 C ATOM 46 CZ TYR X 3 17.555 3.065 14.123 1.00 0.00 C ATOM 47 OH TYR X 3 17.720 3.176 15.488 1.00 0.00 O ATOM 0 H TYR X 3 14.940 1.483 11.183 1.00 0.00 H new ATOM 0 HA TYR X 3 15.191 3.715 9.246 1.00 0.00 H new ATOM 0 HB2 TYR X 3 17.464 1.823 9.497 1.00 0.00 H new ATOM 0 HB3 TYR X 3 17.481 3.570 9.362 1.00 0.00 H new ATOM 0 HD1 TYR X 3 16.685 0.797 11.746 1.00 0.00 H new ATOM 0 HD2 TYR X 3 17.773 4.926 11.287 1.00 0.00 H new ATOM 0 HE1 TYR X 3 17.000 0.986 14.198 1.00 0.00 H new ATOM 0 HE2 TYR X 3 18.071 5.119 13.738 1.00 0.00 H new ATOM 0 HH TYR X 3 18.471 2.615 15.773 1.00 0.00 H new ATOM 57 N LYS X 4 15.247 2.145 7.270 1.00 0.00 N ATOM 58 CA LYS X 4 14.982 1.253 6.152 1.00 0.00 C ATOM 59 C LYS X 4 16.200 1.162 5.249 1.00 0.00 C ATOM 60 O LYS X 4 16.910 2.147 5.043 1.00 0.00 O ATOM 61 CB LYS X 4 13.778 1.752 5.350 1.00 0.00 C ATOM 62 CG LYS X 4 13.140 0.576 4.605 1.00 0.00 C ATOM 63 CD LYS X 4 11.763 0.985 4.079 1.00 0.00 C ATOM 64 CE LYS X 4 10.847 -0.239 4.043 1.00 0.00 C ATOM 65 NZ LYS X 4 10.104 -0.342 5.331 1.00 0.00 N ATOM 0 H LYS X 4 15.462 3.107 7.007 1.00 0.00 H new ATOM 0 HA LYS X 4 14.760 0.262 6.547 1.00 0.00 H new ATOM 0 HB2 LYS X 4 13.049 2.213 6.016 1.00 0.00 H new ATOM 0 HB3 LYS X 4 14.092 2.519 4.641 1.00 0.00 H new ATOM 0 HG2 LYS X 4 13.779 0.267 3.778 1.00 0.00 H new ATOM 0 HG3 LYS X 4 13.045 -0.281 5.272 1.00 0.00 H new ATOM 0 HD2 LYS X 4 11.332 1.756 4.718 1.00 0.00 H new ATOM 0 HD3 LYS X 4 11.856 1.413 3.081 1.00 0.00 H new ATOM 0 HE2 LYS X 4 10.146 -0.158 3.212 1.00 0.00 H new ATOM 0 HE3 LYS X 4 11.435 -1.142 3.877 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 9.572 -1.235 5.355 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 10.778 -0.319 6.123 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 9.443 0.457 5.415 1.00 0.00 H new ATOM 79 N LEU X 5 16.437 -0.025 4.715 1.00 0.00 N ATOM 80 CA LEU X 5 17.574 -0.236 3.836 1.00 0.00 C ATOM 81 C LEU X 5 17.098 -0.632 2.444 1.00 0.00 C ATOM 82 O LEU X 5 16.425 -1.649 2.274 1.00 0.00 O ATOM 83 CB LEU X 5 18.468 -1.339 4.398 1.00 0.00 C ATOM 84 CG LEU X 5 19.946 -0.942 4.289 1.00 0.00 C ATOM 85 CD1 LEU X 5 20.814 -2.193 4.433 1.00 0.00 C ATOM 86 CD2 LEU X 5 20.228 -0.292 2.929 1.00 0.00 C ATOM 0 H LEU X 5 15.861 -0.852 4.874 1.00 0.00 H new ATOM 0 HA LEU X 5 18.140 0.693 3.770 1.00 0.00 H new ATOM 0 HB2 LEU X 5 18.212 -1.527 5.441 1.00 0.00 H new ATOM 0 HB3 LEU X 5 18.294 -2.268 3.855 1.00 0.00 H new ATOM 0 HG LEU X 5 20.178 -0.228 5.079 1.00 0.00 H new ATOM 0 HD11 LEU X 5 21.866 -1.917 4.356 1.00 0.00 H new ATOM 0 HD12 LEU X 5 20.630 -2.654 5.403 1.00 0.00 H new ATOM 0 HD13 LEU X 5 20.566 -2.901 3.642 1.00 0.00 H new ATOM 0 HD21 LEU X 5 21.281 -0.017 2.869 1.00 0.00 H new ATOM 0 HD22 LEU X 5 19.991 -0.997 2.132 1.00 0.00 H new ATOM 0 HD23 LEU X 5 19.613 0.601 2.818 1.00 0.00 H new ATOM 98 N ILE X 6 17.468 0.167 1.453 1.00 0.00 N ATOM 99 CA ILE X 6 17.092 -0.114 0.074 1.00 0.00 C ATOM 100 C ILE X 6 18.331 -0.394 -0.760 1.00 0.00 C ATOM 101 O ILE X 6 19.314 0.345 -0.696 1.00 0.00 O ATOM 102 CB ILE X 6 16.333 1.065 -0.526 1.00 0.00 C ATOM 103 CG1 ILE X 6 14.864 0.970 -0.124 1.00 0.00 C ATOM 104 CG2 ILE X 6 16.443 1.021 -2.051 1.00 0.00 C ATOM 105 CD1 ILE X 6 14.739 1.124 1.392 1.00 0.00 C ATOM 0 H ILE X 6 18.026 1.012 1.577 1.00 0.00 H new ATOM 0 HA ILE X 6 16.446 -0.992 0.069 1.00 0.00 H new ATOM 0 HB ILE X 6 16.758 1.999 -0.158 1.00 0.00 H new ATOM 0 HG12 ILE X 6 14.287 1.746 -0.628 1.00 0.00 H new ATOM 0 HG13 ILE X 6 14.451 0.011 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE X 6 15.900 1.864 -2.479 1.00 0.00 H new ATOM 0 HG22 ILE X 6 17.492 1.079 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE X 6 16.015 0.089 -2.420 1.00 0.00 H new ATOM 0 HD11 ILE X 6 13.690 1.056 1.679 1.00 0.00 H new ATOM 0 HD12 ILE X 6 15.302 0.332 1.886 1.00 0.00 H new ATOM 0 HD13 ILE X 6 15.136 2.094 1.693 1.00 0.00 H new ATOM 117 N LEU X 7 18.281 -1.462 -1.542 1.00 0.00 N ATOM 118 CA LEU X 7 19.406 -1.825 -2.385 1.00 0.00 C ATOM 119 C LEU X 7 19.047 -1.664 -3.857 1.00 0.00 C ATOM 120 O LEU X 7 17.999 -2.127 -4.307 1.00 0.00 O ATOM 121 CB LEU X 7 19.818 -3.271 -2.112 1.00 0.00 C ATOM 122 CG LEU X 7 20.831 -3.300 -0.967 1.00 0.00 C ATOM 123 CD1 LEU X 7 22.122 -2.612 -1.414 1.00 0.00 C ATOM 124 CD2 LEU X 7 20.252 -2.561 0.242 1.00 0.00 C ATOM 0 H LEU X 7 17.478 -2.088 -1.609 1.00 0.00 H new ATOM 0 HA LEU X 7 20.239 -1.161 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU X 7 18.943 -3.868 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.253 -3.713 -3.009 1.00 0.00 H new ATOM 0 HG LEU X 7 21.045 -4.333 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU X 7 22.846 -2.632 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU X 7 22.533 -3.135 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU X 7 21.908 -1.578 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU X 7 20.973 -2.580 1.060 1.00 0.00 H new ATOM 0 HD22 LEU X 7 20.040 -1.527 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU X 7 19.330 -3.049 0.559 1.00 0.00 H new ATOM 136 N ASN X 8 19.925 -1.001 -4.600 1.00 0.00 N ATOM 137 CA ASN X 8 19.700 -0.782 -6.019 1.00 0.00 C ATOM 138 C ASN X 8 20.944 -1.155 -6.811 1.00 0.00 C ATOM 139 O ASN X 8 21.871 -1.765 -6.281 1.00 0.00 O ATOM 140 CB ASN X 8 19.352 0.686 -6.273 1.00 0.00 C ATOM 141 CG ASN X 8 17.851 0.833 -6.492 1.00 0.00 C ATOM 142 OD1 ASN X 8 17.172 1.501 -5.712 1.00 0.00 O ATOM 143 ND2 ASN X 8 17.289 0.243 -7.511 1.00 0.00 N ATOM 0 H ASN X 8 20.796 -0.608 -4.243 1.00 0.00 H new ATOM 0 HA ASN X 8 18.870 -1.410 -6.342 1.00 0.00 H new ATOM 0 HB2 ASN X 8 19.666 1.295 -5.425 1.00 0.00 H new ATOM 0 HB3 ASN X 8 19.893 1.051 -7.146 1.00 0.00 H new ATOM 0 HD21 ASN X 8 16.285 0.335 -7.663 1.00 0.00 H new ATOM 0 HD22 ASN X 8 17.854 -0.310 -8.156 1.00 0.00 H new ATOM 150 N GLY X 9 20.957 -0.783 -8.081 1.00 0.00 N ATOM 151 CA GLY X 9 22.096 -1.083 -8.939 1.00 0.00 C ATOM 152 C GLY X 9 21.644 -1.757 -10.228 1.00 0.00 C ATOM 153 O GLY X 9 20.471 -1.695 -10.595 1.00 0.00 O ATOM 0 H GLY X 9 20.199 -0.277 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY X 9 22.632 -0.163 -9.174 1.00 0.00 H new ATOM 0 HA3 GLY X 9 22.794 -1.732 -8.410 1.00 0.00 H new ATOM 157 N LYS X 10 22.582 -2.407 -10.905 1.00 0.00 N ATOM 158 CA LYS X 10 22.270 -3.097 -12.149 1.00 0.00 C ATOM 159 C LYS X 10 21.348 -4.278 -11.876 1.00 0.00 C ATOM 160 O LYS X 10 20.140 -4.204 -12.103 1.00 0.00 O ATOM 161 CB LYS X 10 23.559 -3.588 -12.809 1.00 0.00 C ATOM 162 CG LYS X 10 24.665 -2.550 -12.597 1.00 0.00 C ATOM 163 CD LYS X 10 25.589 -3.013 -11.468 1.00 0.00 C ATOM 164 CE LYS X 10 26.212 -1.793 -10.785 1.00 0.00 C ATOM 165 NZ LYS X 10 26.723 -0.850 -11.819 1.00 0.00 N ATOM 0 H LYS X 10 23.558 -2.471 -10.616 1.00 0.00 H new ATOM 0 HA LYS X 10 21.766 -2.402 -12.821 1.00 0.00 H new ATOM 0 HB2 LYS X 10 23.857 -4.546 -12.383 1.00 0.00 H new ATOM 0 HB3 LYS X 10 23.396 -3.750 -13.875 1.00 0.00 H new ATOM 0 HG2 LYS X 10 25.235 -2.417 -13.517 1.00 0.00 H new ATOM 0 HG3 LYS X 10 24.228 -1.582 -12.350 1.00 0.00 H new ATOM 0 HD2 LYS X 10 25.028 -3.602 -10.743 1.00 0.00 H new ATOM 0 HD3 LYS X 10 26.371 -3.659 -11.866 1.00 0.00 H new ATOM 0 HE2 LYS X 10 25.471 -1.296 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS X 10 27.025 -2.106 -10.130 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 27.462 -0.247 -11.404 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 27.122 -1.389 -12.614 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 25.942 -0.255 -12.162 1.00 0.00 H new ATOM 179 N THR X 11 21.925 -5.366 -11.378 1.00 0.00 N ATOM 180 CA THR X 11 21.150 -6.559 -11.068 1.00 0.00 C ATOM 181 C THR X 11 21.128 -6.802 -9.562 1.00 0.00 C ATOM 182 O THR X 11 20.886 -7.920 -9.108 1.00 0.00 O ATOM 183 CB THR X 11 21.757 -7.775 -11.771 1.00 0.00 C ATOM 184 OG1 THR X 11 21.245 -8.963 -11.185 1.00 0.00 O ATOM 185 CG2 THR X 11 23.279 -7.744 -11.621 1.00 0.00 C ATOM 0 H THR X 11 22.923 -5.445 -11.181 1.00 0.00 H new ATOM 0 HA THR X 11 20.129 -6.409 -11.419 1.00 0.00 H new ATOM 0 HB THR X 11 21.498 -7.751 -12.829 1.00 0.00 H new ATOM 0 HG1 THR X 11 21.487 -8.990 -10.236 1.00 0.00 H new ATOM 0 HG21 THR X 11 23.712 -8.610 -12.122 1.00 0.00 H new ATOM 0 HG22 THR X 11 23.670 -6.832 -12.071 1.00 0.00 H new ATOM 0 HG23 THR X 11 23.541 -7.768 -10.563 1.00 0.00 H new ATOM 193 N LEU X 12 21.386 -5.750 -8.791 1.00 0.00 N ATOM 194 CA LEU X 12 21.393 -5.870 -7.337 1.00 0.00 C ATOM 195 C LEU X 12 20.298 -5.016 -6.713 1.00 0.00 C ATOM 196 O LEU X 12 20.461 -3.808 -6.544 1.00 0.00 O ATOM 197 CB LEU X 12 22.746 -5.432 -6.776 1.00 0.00 C ATOM 198 CG LEU X 12 22.934 -6.008 -5.368 1.00 0.00 C ATOM 199 CD1 LEU X 12 21.757 -5.610 -4.474 1.00 0.00 C ATOM 200 CD2 LEU X 12 23.016 -7.533 -5.452 1.00 0.00 C ATOM 0 H LEU X 12 21.591 -4.815 -9.143 1.00 0.00 H new ATOM 0 HA LEU X 12 21.212 -6.916 -7.090 1.00 0.00 H new ATOM 0 HB2 LEU X 12 23.549 -5.774 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU X 12 22.802 -4.344 -6.744 1.00 0.00 H new ATOM 0 HG LEU X 12 23.855 -5.611 -4.940 1.00 0.00 H new ATOM 0 HD11 LEU X 12 21.901 -6.025 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU X 12 21.700 -4.523 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU X 12 20.831 -5.998 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU X 12 23.150 -7.946 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU X 12 22.095 -7.924 -5.886 1.00 0.00 H new ATOM 0 HD23 LEU X 12 23.861 -7.818 -6.078 1.00 0.00 H new ATOM 212 N LYS X 13 19.194 -5.653 -6.350 1.00 0.00 N ATOM 213 CA LYS X 13 18.097 -4.937 -5.719 1.00 0.00 C ATOM 214 C LYS X 13 17.615 -5.697 -4.495 1.00 0.00 C ATOM 215 O LYS X 13 17.515 -6.924 -4.512 1.00 0.00 O ATOM 216 CB LYS X 13 16.933 -4.758 -6.688 1.00 0.00 C ATOM 217 CG LYS X 13 15.702 -4.295 -5.906 1.00 0.00 C ATOM 218 CD LYS X 13 14.594 -3.904 -6.886 1.00 0.00 C ATOM 219 CE LYS X 13 14.735 -2.425 -7.255 1.00 0.00 C ATOM 220 NZ LYS X 13 14.229 -2.208 -8.640 1.00 0.00 N ATOM 0 H LYS X 13 19.036 -6.652 -6.480 1.00 0.00 H new ATOM 0 HA LYS X 13 18.463 -3.954 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS X 13 17.190 -4.026 -7.454 1.00 0.00 H new ATOM 0 HB3 LYS X 13 16.722 -5.696 -7.201 1.00 0.00 H new ATOM 0 HG2 LYS X 13 15.355 -5.091 -5.247 1.00 0.00 H new ATOM 0 HG3 LYS X 13 15.958 -3.446 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS X 13 14.653 -4.520 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS X 13 13.617 -4.086 -6.438 1.00 0.00 H new ATOM 0 HE2 LYS X 13 14.176 -1.809 -6.551 1.00 0.00 H new ATOM 0 HE3 LYS X 13 15.779 -2.120 -7.186 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 14.325 -1.203 -8.891 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 14.781 -2.785 -9.306 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 13.228 -2.484 -8.691 1.00 0.00 H new ATOM 234 N GLY X 14 17.319 -4.962 -3.435 1.00 0.00 N ATOM 235 CA GLY X 14 16.850 -5.584 -2.209 1.00 0.00 C ATOM 236 C GLY X 14 16.112 -4.580 -1.331 1.00 0.00 C ATOM 237 O GLY X 14 16.205 -3.369 -1.534 1.00 0.00 O ATOM 0 H GLY X 14 17.394 -3.945 -3.399 1.00 0.00 H new ATOM 0 HA2 GLY X 14 16.189 -6.416 -2.450 1.00 0.00 H new ATOM 0 HA3 GLY X 14 17.696 -5.998 -1.661 1.00 0.00 H new ATOM 241 N GLU X 15 15.391 -5.100 -0.343 1.00 0.00 N ATOM 242 CA GLU X 15 14.646 -4.262 0.591 1.00 0.00 C ATOM 243 C GLU X 15 14.828 -4.800 2.005 1.00 0.00 C ATOM 244 O GLU X 15 14.802 -6.012 2.222 1.00 0.00 O ATOM 245 CB GLU X 15 13.160 -4.257 0.225 1.00 0.00 C ATOM 246 CG GLU X 15 12.499 -2.999 0.794 1.00 0.00 C ATOM 247 CD GLU X 15 11.161 -3.358 1.433 1.00 0.00 C ATOM 248 OE1 GLU X 15 11.171 -3.805 2.568 1.00 0.00 O ATOM 249 OE2 GLU X 15 10.148 -3.181 0.776 1.00 0.00 O ATOM 0 H GLU X 15 15.307 -6.101 -0.168 1.00 0.00 H new ATOM 0 HA GLU X 15 15.023 -3.241 0.537 1.00 0.00 H new ATOM 0 HB2 GLU X 15 13.041 -4.285 -0.858 1.00 0.00 H new ATOM 0 HB3 GLU X 15 12.674 -5.148 0.622 1.00 0.00 H new ATOM 0 HG2 GLU X 15 13.153 -2.537 1.534 1.00 0.00 H new ATOM 0 HG3 GLU X 15 12.348 -2.267 0.001 1.00 0.00 H new ATOM 256 N THR X 16 15.031 -3.906 2.964 1.00 0.00 N ATOM 257 CA THR X 16 15.237 -4.335 4.342 1.00 0.00 C ATOM 258 C THR X 16 14.443 -3.483 5.325 1.00 0.00 C ATOM 259 O THR X 16 14.043 -2.360 5.016 1.00 0.00 O ATOM 260 CB THR X 16 16.723 -4.246 4.692 1.00 0.00 C ATOM 261 OG1 THR X 16 17.495 -4.364 3.504 1.00 0.00 O ATOM 262 CG2 THR X 16 17.094 -5.370 5.660 1.00 0.00 C ATOM 0 H THR X 16 15.057 -2.897 2.818 1.00 0.00 H new ATOM 0 HA THR X 16 14.888 -5.364 4.423 1.00 0.00 H new ATOM 0 HB THR X 16 16.927 -3.285 5.165 1.00 0.00 H new ATOM 0 HG1 THR X 16 18.167 -5.068 3.619 1.00 0.00 H new ATOM 0 HG21 THR X 16 18.154 -5.303 5.907 1.00 0.00 H new ATOM 0 HG22 THR X 16 16.503 -5.276 6.571 1.00 0.00 H new ATOM 0 HG23 THR X 16 16.891 -6.334 5.193 1.00 0.00 H new ATOM 270 N THR X 17 14.241 -4.030 6.517 1.00 0.00 N ATOM 271 CA THR X 17 13.518 -3.330 7.570 1.00 0.00 C ATOM 272 C THR X 17 14.166 -3.645 8.914 1.00 0.00 C ATOM 273 O THR X 17 14.405 -4.809 9.231 1.00 0.00 O ATOM 274 CB THR X 17 12.054 -3.778 7.590 1.00 0.00 C ATOM 275 OG1 THR X 17 11.996 -5.183 7.792 1.00 0.00 O ATOM 276 CG2 THR X 17 11.390 -3.425 6.257 1.00 0.00 C ATOM 0 H THR X 17 14.569 -4.960 6.779 1.00 0.00 H new ATOM 0 HA THR X 17 13.556 -2.257 7.382 1.00 0.00 H new ATOM 0 HB THR X 17 11.529 -3.270 8.399 1.00 0.00 H new ATOM 0 HG1 THR X 17 12.794 -5.477 8.280 1.00 0.00 H new ATOM 0 HG21 THR X 17 10.348 -3.745 6.274 1.00 0.00 H new ATOM 0 HG22 THR X 17 11.436 -2.347 6.102 1.00 0.00 H new ATOM 0 HG23 THR X 17 11.912 -3.931 5.445 1.00 0.00 H new ATOM 284 N THR X 18 14.468 -2.612 9.692 1.00 0.00 N ATOM 285 CA THR X 18 15.109 -2.828 10.982 1.00 0.00 C ATOM 286 C THR X 18 14.671 -1.797 12.009 1.00 0.00 C ATOM 287 O THR X 18 14.351 -0.658 11.671 1.00 0.00 O ATOM 288 CB THR X 18 16.626 -2.751 10.824 1.00 0.00 C ATOM 289 OG1 THR X 18 16.984 -3.127 9.502 1.00 0.00 O ATOM 290 CG2 THR X 18 17.296 -3.694 11.824 1.00 0.00 C ATOM 0 H THR X 18 14.284 -1.636 9.459 1.00 0.00 H new ATOM 0 HA THR X 18 14.811 -3.815 11.335 1.00 0.00 H new ATOM 0 HB THR X 18 16.958 -1.730 11.014 1.00 0.00 H new ATOM 0 HG1 THR X 18 17.570 -2.444 9.115 1.00 0.00 H new ATOM 0 HG21 THR X 18 18.378 -3.637 11.709 1.00 0.00 H new ATOM 0 HG22 THR X 18 17.023 -3.402 12.838 1.00 0.00 H new ATOM 0 HG23 THR X 18 16.965 -4.716 11.639 1.00 0.00 H new ATOM 298 N GLU X 19 14.677 -2.211 13.269 1.00 0.00 N ATOM 299 CA GLU X 19 14.297 -1.332 14.362 1.00 0.00 C ATOM 300 C GLU X 19 15.379 -1.336 15.436 1.00 0.00 C ATOM 301 O GLU X 19 15.791 -2.396 15.909 1.00 0.00 O ATOM 302 CB GLU X 19 12.974 -1.794 14.960 1.00 0.00 C ATOM 303 CG GLU X 19 12.173 -0.573 15.402 1.00 0.00 C ATOM 304 CD GLU X 19 13.010 0.284 16.347 1.00 0.00 C ATOM 305 OE1 GLU X 19 13.118 -0.081 17.505 1.00 0.00 O ATOM 306 OE2 GLU X 19 13.531 1.291 15.897 1.00 0.00 O ATOM 0 H GLU X 19 14.942 -3.153 13.558 1.00 0.00 H new ATOM 0 HA GLU X 19 14.182 -0.318 13.978 1.00 0.00 H new ATOM 0 HB2 GLU X 19 12.409 -2.368 14.226 1.00 0.00 H new ATOM 0 HB3 GLU X 19 13.155 -2.453 15.809 1.00 0.00 H new ATOM 0 HG2 GLU X 19 11.877 0.013 14.532 1.00 0.00 H new ATOM 0 HG3 GLU X 19 11.256 -0.889 15.900 1.00 0.00 H new ATOM 313 N ALA X 20 15.845 -0.150 15.811 1.00 0.00 N ATOM 314 CA ALA X 20 16.891 -0.042 16.822 1.00 0.00 C ATOM 315 C ALA X 20 16.654 1.153 17.732 1.00 0.00 C ATOM 316 O ALA X 20 15.706 1.916 17.546 1.00 0.00 O ATOM 317 CB ALA X 20 18.255 0.108 16.150 1.00 0.00 C ATOM 0 H ALA X 20 15.520 0.741 15.436 1.00 0.00 H new ATOM 0 HA ALA X 20 16.869 -0.952 17.422 1.00 0.00 H new ATOM 0 HB1 ALA X 20 19.030 0.188 16.913 1.00 0.00 H new ATOM 0 HB2 ALA X 20 18.450 -0.763 15.524 1.00 0.00 H new ATOM 0 HB3 ALA X 20 18.260 1.006 15.533 1.00 0.00 H new ATOM 323 N VAL X 21 17.541 1.319 18.705 1.00 0.00 N ATOM 324 CA VAL X 21 17.449 2.435 19.629 1.00 0.00 C ATOM 325 C VAL X 21 17.766 3.724 18.894 1.00 0.00 C ATOM 326 O VAL X 21 17.142 4.760 19.123 1.00 0.00 O ATOM 327 CB VAL X 21 18.451 2.256 20.765 1.00 0.00 C ATOM 328 CG1 VAL X 21 18.313 3.415 21.754 1.00 0.00 C ATOM 329 CG2 VAL X 21 18.177 0.934 21.489 1.00 0.00 C ATOM 0 H VAL X 21 18.330 0.694 18.872 1.00 0.00 H new ATOM 0 HA VAL X 21 16.439 2.475 20.038 1.00 0.00 H new ATOM 0 HB VAL X 21 19.461 2.243 20.357 1.00 0.00 H new ATOM 0 HG11 VAL X 21 19.029 3.288 22.566 1.00 0.00 H new ATOM 0 HG12 VAL X 21 18.510 4.356 21.241 1.00 0.00 H new ATOM 0 HG13 VAL X 21 17.302 3.428 22.161 1.00 0.00 H new ATOM 0 HG21 VAL X 21 18.894 0.808 22.300 1.00 0.00 H new ATOM 0 HG22 VAL X 21 17.166 0.945 21.897 1.00 0.00 H new ATOM 0 HG23 VAL X 21 18.276 0.107 20.786 1.00 0.00 H new ATOM 339 N ASP X 22 18.747 3.643 18.010 1.00 0.00 N ATOM 340 CA ASP X 22 19.163 4.796 17.234 1.00 0.00 C ATOM 341 C ASP X 22 19.824 4.342 15.945 1.00 0.00 C ATOM 342 O ASP X 22 20.085 3.155 15.752 1.00 0.00 O ATOM 343 CB ASP X 22 20.144 5.643 18.042 1.00 0.00 C ATOM 344 CG ASP X 22 21.451 4.882 18.242 1.00 0.00 C ATOM 345 OD1 ASP X 22 21.836 4.155 17.340 1.00 0.00 O ATOM 346 OD2 ASP X 22 22.050 5.039 19.293 1.00 0.00 O ATOM 0 H ASP X 22 19.269 2.789 17.813 1.00 0.00 H new ATOM 0 HA ASP X 22 18.284 5.395 16.995 1.00 0.00 H new ATOM 0 HB2 ASP X 22 20.337 6.583 17.525 1.00 0.00 H new ATOM 0 HB3 ASP X 22 19.709 5.895 19.009 1.00 0.00 H new ATOM 351 N ALA X 23 20.098 5.298 15.065 1.00 0.00 N ATOM 352 CA ALA X 23 20.734 4.990 13.791 1.00 0.00 C ATOM 353 C ALA X 23 22.201 4.637 13.996 1.00 0.00 C ATOM 354 O ALA X 23 22.767 3.842 13.245 1.00 0.00 O ATOM 355 CB ALA X 23 20.618 6.188 12.847 1.00 0.00 C ATOM 0 H ALA X 23 19.891 6.286 15.209 1.00 0.00 H new ATOM 0 HA ALA X 23 20.227 4.132 13.350 1.00 0.00 H new ATOM 0 HB1 ALA X 23 21.096 5.950 11.897 1.00 0.00 H new ATOM 0 HB2 ALA X 23 19.566 6.417 12.677 1.00 0.00 H new ATOM 0 HB3 ALA X 23 21.109 7.052 13.294 1.00 0.00 H new ATOM 361 N ALA X 24 22.815 5.226 15.017 1.00 0.00 N ATOM 362 CA ALA X 24 24.215 4.949 15.301 1.00 0.00 C ATOM 363 C ALA X 24 24.397 3.453 15.502 1.00 0.00 C ATOM 364 O ALA X 24 25.400 2.874 15.083 1.00 0.00 O ATOM 365 CB ALA X 24 24.658 5.699 16.558 1.00 0.00 C ATOM 0 H ALA X 24 22.371 5.889 15.653 1.00 0.00 H new ATOM 0 HA ALA X 24 24.826 5.284 14.463 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.707 5.483 16.760 1.00 0.00 H new ATOM 0 HB2 ALA X 24 24.531 6.771 16.406 1.00 0.00 H new ATOM 0 HB3 ALA X 24 24.052 5.378 17.406 1.00 0.00 H new ATOM 371 N THR X 25 23.403 2.829 16.123 1.00 0.00 N ATOM 372 CA THR X 25 23.444 1.394 16.351 1.00 0.00 C ATOM 373 C THR X 25 23.126 0.665 15.053 1.00 0.00 C ATOM 374 O THR X 25 23.793 -0.302 14.688 1.00 0.00 O ATOM 375 CB THR X 25 22.427 1.000 17.425 1.00 0.00 C ATOM 376 OG1 THR X 25 21.148 1.509 17.073 1.00 0.00 O ATOM 377 CG2 THR X 25 22.854 1.577 18.775 1.00 0.00 C ATOM 0 H THR X 25 22.565 3.292 16.475 1.00 0.00 H new ATOM 0 HA THR X 25 24.441 1.116 16.692 1.00 0.00 H new ATOM 0 HB THR X 25 22.379 -0.087 17.498 1.00 0.00 H new ATOM 0 HG1 THR X 25 21.182 2.488 17.043 1.00 0.00 H new ATOM 0 HG21 THR X 25 22.128 1.295 19.537 1.00 0.00 H new ATOM 0 HG22 THR X 25 23.834 1.185 19.045 1.00 0.00 H new ATOM 0 HG23 THR X 25 22.904 2.664 18.707 1.00 0.00 H new ATOM 385 N ALA X 26 22.095 1.146 14.365 1.00 0.00 N ATOM 386 CA ALA X 26 21.673 0.551 13.102 1.00 0.00 C ATOM 387 C ALA X 26 22.717 0.783 12.011 1.00 0.00 C ATOM 388 O ALA X 26 22.957 -0.087 11.176 1.00 0.00 O ATOM 389 CB ALA X 26 20.338 1.159 12.666 1.00 0.00 C ATOM 0 H ALA X 26 21.536 1.946 14.661 1.00 0.00 H new ATOM 0 HA ALA X 26 21.560 -0.523 13.251 1.00 0.00 H new ATOM 0 HB1 ALA X 26 20.026 0.712 11.722 1.00 0.00 H new ATOM 0 HB2 ALA X 26 19.583 0.963 13.427 1.00 0.00 H new ATOM 0 HB3 ALA X 26 20.453 2.235 12.537 1.00 0.00 H new ATOM 395 N GLU X 27 23.310 1.974 12.009 1.00 0.00 N ATOM 396 CA GLU X 27 24.303 2.337 11.000 1.00 0.00 C ATOM 397 C GLU X 27 25.447 1.333 10.924 1.00 0.00 C ATOM 398 O GLU X 27 25.818 0.892 9.837 1.00 0.00 O ATOM 399 CB GLU X 27 24.884 3.712 11.326 1.00 0.00 C ATOM 400 CG GLU X 27 25.744 4.194 10.155 1.00 0.00 C ATOM 401 CD GLU X 27 26.565 5.409 10.576 1.00 0.00 C ATOM 402 OE1 GLU X 27 26.006 6.286 11.212 1.00 0.00 O ATOM 403 OE2 GLU X 27 27.742 5.442 10.256 1.00 0.00 O ATOM 0 H GLU X 27 23.121 2.705 12.695 1.00 0.00 H new ATOM 0 HA GLU X 27 23.794 2.345 10.036 1.00 0.00 H new ATOM 0 HB2 GLU X 27 24.080 4.422 11.517 1.00 0.00 H new ATOM 0 HB3 GLU X 27 25.484 3.659 12.234 1.00 0.00 H new ATOM 0 HG2 GLU X 27 26.407 3.393 9.826 1.00 0.00 H new ATOM 0 HG3 GLU X 27 25.108 4.450 9.307 1.00 0.00 H new ATOM 410 N LYS X 28 26.011 0.980 12.071 1.00 0.00 N ATOM 411 CA LYS X 28 27.122 0.038 12.096 1.00 0.00 C ATOM 412 C LYS X 28 26.704 -1.305 11.508 1.00 0.00 C ATOM 413 O LYS X 28 27.401 -1.872 10.667 1.00 0.00 O ATOM 414 CB LYS X 28 27.595 -0.154 13.534 1.00 0.00 C ATOM 415 CG LYS X 28 27.832 1.212 14.181 1.00 0.00 C ATOM 416 CD LYS X 28 29.166 1.785 13.693 1.00 0.00 C ATOM 417 CE LYS X 28 28.945 3.191 13.133 1.00 0.00 C ATOM 418 NZ LYS X 28 30.256 3.778 12.736 1.00 0.00 N ATOM 0 H LYS X 28 25.722 1.326 12.986 1.00 0.00 H new ATOM 0 HA LYS X 28 27.935 0.441 11.492 1.00 0.00 H new ATOM 0 HB2 LYS X 28 26.850 -0.712 14.101 1.00 0.00 H new ATOM 0 HB3 LYS X 28 28.514 -0.740 13.550 1.00 0.00 H new ATOM 0 HG2 LYS X 28 27.018 1.892 13.929 1.00 0.00 H new ATOM 0 HG3 LYS X 28 27.841 1.115 15.267 1.00 0.00 H new ATOM 0 HD2 LYS X 28 29.882 1.818 14.514 1.00 0.00 H new ATOM 0 HD3 LYS X 28 29.592 1.139 12.925 1.00 0.00 H new ATOM 0 HE2 LYS X 28 28.277 3.151 12.273 1.00 0.00 H new ATOM 0 HE3 LYS X 28 28.464 3.821 13.881 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 30.107 4.734 12.355 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 30.879 3.830 13.567 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 30.698 3.180 12.009 1.00 0.00 H new ATOM 432 N VAL X 29 25.556 -1.801 11.949 1.00 0.00 N ATOM 433 CA VAL X 29 25.045 -3.071 11.456 1.00 0.00 C ATOM 434 C VAL X 29 24.587 -2.939 10.007 1.00 0.00 C ATOM 435 O VAL X 29 24.732 -3.865 9.211 1.00 0.00 O ATOM 436 CB VAL X 29 23.908 -3.577 12.363 1.00 0.00 C ATOM 437 CG1 VAL X 29 23.588 -2.528 13.424 1.00 0.00 C ATOM 438 CG2 VAL X 29 22.654 -3.887 11.542 1.00 0.00 C ATOM 0 H VAL X 29 24.964 -1.346 12.644 1.00 0.00 H new ATOM 0 HA VAL X 29 25.848 -3.808 11.482 1.00 0.00 H new ATOM 0 HB VAL X 29 24.236 -4.496 12.849 1.00 0.00 H new ATOM 0 HG11 VAL X 29 22.783 -2.891 14.063 1.00 0.00 H new ATOM 0 HG12 VAL X 29 24.475 -2.340 14.029 1.00 0.00 H new ATOM 0 HG13 VAL X 29 23.277 -1.603 12.939 1.00 0.00 H new ATOM 0 HG21 VAL X 29 21.864 -4.243 12.204 1.00 0.00 H new ATOM 0 HG22 VAL X 29 22.320 -2.983 11.032 1.00 0.00 H new ATOM 0 HG23 VAL X 29 22.883 -4.656 10.804 1.00 0.00 H new ATOM 448 N PHE X 30 24.027 -1.779 9.675 1.00 0.00 N ATOM 449 CA PHE X 30 23.544 -1.533 8.320 1.00 0.00 C ATOM 450 C PHE X 30 24.675 -1.685 7.312 1.00 0.00 C ATOM 451 O PHE X 30 24.509 -2.312 6.265 1.00 0.00 O ATOM 452 CB PHE X 30 23.001 -0.109 8.227 1.00 0.00 C ATOM 453 CG PHE X 30 21.496 -0.133 8.198 1.00 0.00 C ATOM 454 CD1 PHE X 30 20.783 -0.910 9.117 1.00 0.00 C ATOM 455 CD2 PHE X 30 20.809 0.629 7.248 1.00 0.00 C ATOM 456 CE1 PHE X 30 19.384 -0.927 9.086 1.00 0.00 C ATOM 457 CE2 PHE X 30 19.410 0.614 7.216 1.00 0.00 C ATOM 458 CZ PHE X 30 18.697 -0.164 8.134 1.00 0.00 C ATOM 0 H PHE X 30 23.897 -1.000 10.320 1.00 0.00 H new ATOM 0 HA PHE X 30 22.761 -2.257 8.096 1.00 0.00 H new ATOM 0 HB2 PHE X 30 23.347 0.477 9.078 1.00 0.00 H new ATOM 0 HB3 PHE X 30 23.383 0.377 7.329 1.00 0.00 H new ATOM 0 HD1 PHE X 30 21.313 -1.498 9.852 1.00 0.00 H new ATOM 0 HD2 PHE X 30 21.358 1.230 6.538 1.00 0.00 H new ATOM 0 HE1 PHE X 30 18.835 -1.528 9.796 1.00 0.00 H new ATOM 0 HE2 PHE X 30 18.881 1.203 6.482 1.00 0.00 H new ATOM 0 HZ PHE X 30 17.617 -0.176 8.109 1.00 0.00 H new ATOM 468 N LYS X 31 25.822 -1.107 7.636 1.00 0.00 N ATOM 469 CA LYS X 31 26.974 -1.180 6.753 1.00 0.00 C ATOM 470 C LYS X 31 27.328 -2.637 6.488 1.00 0.00 C ATOM 471 O LYS X 31 27.847 -2.978 5.425 1.00 0.00 O ATOM 472 CB LYS X 31 28.160 -0.451 7.383 1.00 0.00 C ATOM 473 CG LYS X 31 27.747 0.983 7.726 1.00 0.00 C ATOM 474 CD LYS X 31 28.735 1.965 7.092 1.00 0.00 C ATOM 475 CE LYS X 31 28.480 2.049 5.586 1.00 0.00 C ATOM 476 NZ LYS X 31 29.615 2.756 4.927 1.00 0.00 N ATOM 0 H LYS X 31 25.979 -0.586 8.499 1.00 0.00 H new ATOM 0 HA LYS X 31 26.732 -0.699 5.805 1.00 0.00 H new ATOM 0 HB2 LYS X 31 28.486 -0.973 8.283 1.00 0.00 H new ATOM 0 HB3 LYS X 31 29.005 -0.444 6.694 1.00 0.00 H new ATOM 0 HG2 LYS X 31 26.739 1.179 7.362 1.00 0.00 H new ATOM 0 HG3 LYS X 31 27.727 1.118 8.807 1.00 0.00 H new ATOM 0 HD2 LYS X 31 28.625 2.950 7.545 1.00 0.00 H new ATOM 0 HD3 LYS X 31 29.758 1.640 7.280 1.00 0.00 H new ATOM 0 HE2 LYS X 31 28.370 1.048 5.169 1.00 0.00 H new ATOM 0 HE3 LYS X 31 27.547 2.579 5.394 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 29.441 2.813 3.903 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 29.700 3.716 5.318 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 30.497 2.233 5.100 1.00 0.00 H new ATOM 490 N GLN X 32 27.025 -3.494 7.458 1.00 0.00 N ATOM 491 CA GLN X 32 27.297 -4.915 7.312 1.00 0.00 C ATOM 492 C GLN X 32 26.414 -5.507 6.223 1.00 0.00 C ATOM 493 O GLN X 32 26.802 -6.455 5.538 1.00 0.00 O ATOM 494 CB GLN X 32 27.043 -5.651 8.628 1.00 0.00 C ATOM 495 CG GLN X 32 27.484 -7.109 8.487 1.00 0.00 C ATOM 496 CD GLN X 32 28.276 -7.534 9.717 1.00 0.00 C ATOM 497 OE1 GLN X 32 29.032 -6.737 10.276 1.00 0.00 O ATOM 498 NE2 GLN X 32 28.149 -8.748 10.178 1.00 0.00 N ATOM 0 H GLN X 32 26.595 -3.230 8.345 1.00 0.00 H new ATOM 0 HA GLN X 32 28.345 -5.035 7.036 1.00 0.00 H new ATOM 0 HB2 GLN X 32 27.591 -5.170 9.438 1.00 0.00 H new ATOM 0 HB3 GLN X 32 25.985 -5.603 8.886 1.00 0.00 H new ATOM 0 HG2 GLN X 32 26.612 -7.751 8.366 1.00 0.00 H new ATOM 0 HG3 GLN X 32 28.094 -7.228 7.592 1.00 0.00 H new ATOM 0 HE21 GLN X 32 27.523 -9.407 9.715 1.00 0.00 H new ATOM 0 HE22 GLN X 32 28.676 -9.038 11.002 1.00 0.00 H new ATOM 507 N TYR X 33 25.222 -4.941 6.068 1.00 0.00 N ATOM 508 CA TYR X 33 24.287 -5.419 5.059 1.00 0.00 C ATOM 509 C TYR X 33 24.917 -5.324 3.677 1.00 0.00 C ATOM 510 O TYR X 33 24.862 -6.272 2.894 1.00 0.00 O ATOM 511 CB TYR X 33 23.011 -4.580 5.102 1.00 0.00 C ATOM 512 CG TYR X 33 21.925 -5.270 4.316 1.00 0.00 C ATOM 513 CD1 TYR X 33 21.893 -5.160 2.921 1.00 0.00 C ATOM 514 CD2 TYR X 33 20.944 -6.011 4.985 1.00 0.00 C ATOM 515 CE1 TYR X 33 20.879 -5.795 2.194 1.00 0.00 C ATOM 516 CE2 TYR X 33 19.930 -6.645 4.258 1.00 0.00 C ATOM 517 CZ TYR X 33 19.898 -6.536 2.862 1.00 0.00 C ATOM 518 OH TYR X 33 18.899 -7.162 2.144 1.00 0.00 O ATOM 0 H TYR X 33 24.883 -4.156 6.624 1.00 0.00 H new ATOM 0 HA TYR X 33 24.042 -6.461 5.266 1.00 0.00 H new ATOM 0 HB2 TYR X 33 22.692 -4.438 6.135 1.00 0.00 H new ATOM 0 HB3 TYR X 33 23.201 -3.590 4.688 1.00 0.00 H new ATOM 0 HD1 TYR X 33 22.649 -4.586 2.406 1.00 0.00 H new ATOM 0 HD2 TYR X 33 20.970 -6.093 6.062 1.00 0.00 H new ATOM 0 HE1 TYR X 33 20.854 -5.713 1.117 1.00 0.00 H new ATOM 0 HE2 TYR X 33 19.173 -7.218 4.773 1.00 0.00 H new ATOM 0 HH TYR X 33 18.301 -7.634 2.760 1.00 0.00 H new ATOM 528 N ALA X 34 25.532 -4.183 3.389 1.00 0.00 N ATOM 529 CA ALA X 34 26.187 -3.994 2.103 1.00 0.00 C ATOM 530 C ALA X 34 27.447 -4.849 2.045 1.00 0.00 C ATOM 531 O ALA X 34 27.693 -5.547 1.062 1.00 0.00 O ATOM 532 CB ALA X 34 26.551 -2.522 1.905 1.00 0.00 C ATOM 0 H ALA X 34 25.590 -3.384 4.021 1.00 0.00 H new ATOM 0 HA ALA X 34 25.505 -4.295 1.308 1.00 0.00 H new ATOM 0 HB1 ALA X 34 27.040 -2.395 0.939 1.00 0.00 H new ATOM 0 HB2 ALA X 34 25.646 -1.916 1.936 1.00 0.00 H new ATOM 0 HB3 ALA X 34 27.227 -2.204 2.699 1.00 0.00 H new ATOM 538 N ASN X 35 28.231 -4.803 3.120 1.00 0.00 N ATOM 539 CA ASN X 35 29.453 -5.592 3.195 1.00 0.00 C ATOM 540 C ASN X 35 29.109 -7.072 3.099 1.00 0.00 C ATOM 541 O ASN X 35 29.757 -7.827 2.374 1.00 0.00 O ATOM 542 CB ASN X 35 30.178 -5.315 4.512 1.00 0.00 C ATOM 543 CG ASN X 35 31.546 -5.993 4.508 1.00 0.00 C ATOM 544 OD1 ASN X 35 31.620 -7.294 4.580 1.00 0.00 O flip ATOM 545 ND2 ASN X 35 32.573 -5.319 4.438 1.00 0.00 N flip ATOM 0 H ASN X 35 28.042 -4.232 3.944 1.00 0.00 H new ATOM 0 HA ASN X 35 30.107 -5.316 2.368 1.00 0.00 H new ATOM 0 HB2 ASN X 35 30.296 -4.241 4.653 1.00 0.00 H new ATOM 0 HB3 ASN X 35 29.583 -5.683 5.348 1.00 0.00 H new ATOM 0 HD21 ASN X 35 32.513 -4.302 4.382 1.00 0.00 H new ATOM 0 HD22 ASN X 35 33.484 -5.777 4.436 1.00 0.00 H new ATOM 552 N ASP X 36 28.066 -7.474 3.822 1.00 0.00 N ATOM 553 CA ASP X 36 27.624 -8.863 3.797 1.00 0.00 C ATOM 554 C ASP X 36 27.092 -9.191 2.411 1.00 0.00 C ATOM 555 O ASP X 36 27.175 -10.329 1.949 1.00 0.00 O ATOM 556 CB ASP X 36 26.527 -9.090 4.840 1.00 0.00 C ATOM 557 CG ASP X 36 25.895 -10.463 4.641 1.00 0.00 C ATOM 558 OD1 ASP X 36 26.456 -11.428 5.133 1.00 0.00 O ATOM 559 OD2 ASP X 36 24.859 -10.530 3.999 1.00 0.00 O ATOM 0 H ASP X 36 27.517 -6.863 4.426 1.00 0.00 H new ATOM 0 HA ASP X 36 28.467 -9.513 4.032 1.00 0.00 H new ATOM 0 HB2 ASP X 36 26.947 -9.016 5.843 1.00 0.00 H new ATOM 0 HB3 ASP X 36 25.766 -8.314 4.754 1.00 0.00 H new ATOM 564 N ASN X 37 26.562 -8.170 1.749 1.00 0.00 N ATOM 565 CA ASN X 37 26.025 -8.302 0.402 1.00 0.00 C ATOM 566 C ASN X 37 26.920 -7.520 -0.553 1.00 0.00 C ATOM 567 O ASN X 37 26.441 -6.690 -1.321 1.00 0.00 O ATOM 568 CB ASN X 37 24.601 -7.749 0.345 1.00 0.00 C ATOM 569 CG ASN X 37 23.727 -8.639 -0.534 1.00 0.00 C ATOM 570 OD1 ASN X 37 22.689 -9.127 -0.087 1.00 0.00 O ATOM 571 ND2 ASN X 37 24.085 -8.876 -1.767 1.00 0.00 N ATOM 0 H ASN X 37 26.493 -7.227 2.132 1.00 0.00 H new ATOM 0 HA ASN X 37 25.999 -9.354 0.117 1.00 0.00 H new ATOM 0 HB2 ASN X 37 24.183 -7.695 1.350 1.00 0.00 H new ATOM 0 HB3 ASN X 37 24.613 -6.733 -0.050 1.00 0.00 H new ATOM 0 HD21 ASN X 37 23.504 -9.467 -2.362 1.00 0.00 H new ATOM 0 HD22 ASN X 37 24.945 -8.471 -2.135 1.00 0.00 H new ATOM 578 N GLY X 38 28.221 -7.802 -0.487 1.00 0.00 N ATOM 579 CA GLY X 38 29.214 -7.138 -1.332 1.00 0.00 C ATOM 580 C GLY X 38 28.599 -6.060 -2.222 1.00 0.00 C ATOM 581 O GLY X 38 28.707 -6.124 -3.446 1.00 0.00 O ATOM 0 H GLY X 38 28.615 -8.494 0.150 1.00 0.00 H new ATOM 0 HA2 GLY X 38 29.981 -6.689 -0.701 1.00 0.00 H new ATOM 0 HA3 GLY X 38 29.710 -7.881 -1.957 1.00 0.00 H new ATOM 585 N VAL X 39 27.954 -5.072 -1.608 1.00 0.00 N ATOM 586 CA VAL X 39 27.335 -3.998 -2.375 1.00 0.00 C ATOM 587 C VAL X 39 28.264 -2.792 -2.471 1.00 0.00 C ATOM 588 O VAL X 39 28.703 -2.250 -1.457 1.00 0.00 O ATOM 589 CB VAL X 39 26.020 -3.562 -1.724 1.00 0.00 C ATOM 590 CG1 VAL X 39 25.662 -2.153 -2.200 1.00 0.00 C ATOM 591 CG2 VAL X 39 24.900 -4.531 -2.118 1.00 0.00 C ATOM 0 H VAL X 39 27.848 -4.993 -0.597 1.00 0.00 H new ATOM 0 HA VAL X 39 27.138 -4.380 -3.377 1.00 0.00 H new ATOM 0 HB VAL X 39 26.135 -3.566 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL X 39 24.726 -1.840 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL X 39 26.455 -1.461 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL X 39 25.549 -2.153 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL X 39 23.966 -4.216 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL X 39 24.783 -4.531 -3.202 1.00 0.00 H new ATOM 0 HG23 VAL X 39 25.153 -5.536 -1.781 1.00 0.00 H new ATOM 601 N ASP X 40 28.543 -2.370 -3.698 1.00 0.00 N ATOM 602 CA ASP X 40 29.404 -1.215 -3.917 1.00 0.00 C ATOM 603 C ASP X 40 28.646 -0.137 -4.680 1.00 0.00 C ATOM 604 O ASP X 40 28.385 -0.278 -5.875 1.00 0.00 O ATOM 605 CB ASP X 40 30.646 -1.630 -4.708 1.00 0.00 C ATOM 606 CG ASP X 40 31.635 -0.471 -4.771 1.00 0.00 C ATOM 607 OD1 ASP X 40 31.784 0.209 -3.769 1.00 0.00 O ATOM 608 OD2 ASP X 40 32.229 -0.282 -5.819 1.00 0.00 O ATOM 0 H ASP X 40 28.189 -2.806 -4.550 1.00 0.00 H new ATOM 0 HA ASP X 40 29.713 -0.818 -2.950 1.00 0.00 H new ATOM 0 HB2 ASP X 40 31.115 -2.494 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP X 40 30.361 -1.931 -5.716 1.00 0.00 H new ATOM 613 N GLY X 41 28.285 0.937 -3.985 1.00 0.00 N ATOM 614 CA GLY X 41 27.546 2.024 -4.613 1.00 0.00 C ATOM 615 C GLY X 41 27.698 3.319 -3.837 1.00 0.00 C ATOM 616 O GLY X 41 28.708 3.547 -3.171 1.00 0.00 O ATOM 0 H GLY X 41 28.490 1.077 -2.996 1.00 0.00 H new ATOM 0 HA2 GLY X 41 27.902 2.166 -5.633 1.00 0.00 H new ATOM 0 HA3 GLY X 41 26.491 1.759 -4.678 1.00 0.00 H new ATOM 620 N GLU X 42 26.672 4.156 -3.914 1.00 0.00 N ATOM 621 CA GLU X 42 26.675 5.421 -3.204 1.00 0.00 C ATOM 622 C GLU X 42 25.803 5.299 -1.967 1.00 0.00 C ATOM 623 O GLU X 42 24.751 4.660 -1.998 1.00 0.00 O ATOM 624 CB GLU X 42 26.149 6.537 -4.107 1.00 0.00 C ATOM 625 CG GLU X 42 26.360 7.889 -3.422 1.00 0.00 C ATOM 626 CD GLU X 42 25.403 8.924 -4.003 1.00 0.00 C ATOM 627 OE1 GLU X 42 24.368 8.524 -4.511 1.00 0.00 O ATOM 628 OE2 GLU X 42 25.718 10.099 -3.931 1.00 0.00 O ATOM 0 H GLU X 42 25.830 3.979 -4.461 1.00 0.00 H new ATOM 0 HA GLU X 42 27.695 5.668 -2.910 1.00 0.00 H new ATOM 0 HB2 GLU X 42 26.667 6.518 -5.066 1.00 0.00 H new ATOM 0 HB3 GLU X 42 25.090 6.383 -4.314 1.00 0.00 H new ATOM 0 HG2 GLU X 42 26.195 7.792 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU X 42 27.390 8.218 -3.558 1.00 0.00 H new ATOM 635 N TRP X 43 26.242 5.908 -0.882 1.00 0.00 N ATOM 636 CA TRP X 43 25.485 5.846 0.350 1.00 0.00 C ATOM 637 C TRP X 43 24.989 7.228 0.751 1.00 0.00 C ATOM 638 O TRP X 43 25.637 8.237 0.478 1.00 0.00 O ATOM 639 CB TRP X 43 26.347 5.276 1.473 1.00 0.00 C ATOM 640 CG TRP X 43 25.495 4.424 2.350 1.00 0.00 C ATOM 641 CD1 TRP X 43 24.475 4.875 3.111 1.00 0.00 C ATOM 642 CD2 TRP X 43 25.561 2.988 2.560 1.00 0.00 C ATOM 643 NE1 TRP X 43 23.915 3.806 3.785 1.00 0.00 N ATOM 644 CE2 TRP X 43 24.550 2.619 3.476 1.00 0.00 C ATOM 645 CE3 TRP X 43 26.395 1.983 2.050 1.00 0.00 C ATOM 646 CZ2 TRP X 43 24.373 1.293 3.874 1.00 0.00 C ATOM 647 CZ3 TRP X 43 26.221 0.651 2.444 1.00 0.00 C ATOM 648 CH2 TRP X 43 25.212 0.305 3.355 1.00 0.00 C ATOM 0 H TRP X 43 27.108 6.444 -0.829 1.00 0.00 H new ATOM 0 HA TRP X 43 24.626 5.196 0.183 1.00 0.00 H new ATOM 0 HB2 TRP X 43 27.167 4.689 1.058 1.00 0.00 H new ATOM 0 HB3 TRP X 43 26.795 6.084 2.052 1.00 0.00 H new ATOM 0 HD1 TRP X 43 24.150 5.903 3.182 1.00 0.00 H new ATOM 0 HE1 TRP X 43 23.130 3.884 4.431 1.00 0.00 H new ATOM 0 HE3 TRP X 43 27.176 2.238 1.349 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 23.595 1.034 4.576 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 26.868 -0.116 2.044 1.00 0.00 H new ATOM 0 HH2 TRP X 43 25.084 -0.725 3.655 1.00 0.00 H new ATOM 659 N THR X 44 23.833 7.261 1.406 1.00 0.00 N ATOM 660 CA THR X 44 23.249 8.517 1.852 1.00 0.00 C ATOM 661 C THR X 44 22.655 8.357 3.246 1.00 0.00 C ATOM 662 O THR X 44 22.378 7.241 3.686 1.00 0.00 O ATOM 663 CB THR X 44 22.154 8.958 0.878 1.00 0.00 C ATOM 664 OG1 THR X 44 21.436 10.049 1.440 1.00 0.00 O ATOM 665 CG2 THR X 44 21.198 7.793 0.617 1.00 0.00 C ATOM 0 H THR X 44 23.284 6.433 1.639 1.00 0.00 H new ATOM 0 HA THR X 44 24.033 9.274 1.883 1.00 0.00 H new ATOM 0 HB THR X 44 22.607 9.267 -0.064 1.00 0.00 H new ATOM 0 HG1 THR X 44 20.735 10.335 0.818 1.00 0.00 H new ATOM 0 HG21 THR X 44 20.419 8.110 -0.077 1.00 0.00 H new ATOM 0 HG22 THR X 44 21.751 6.958 0.186 1.00 0.00 H new ATOM 0 HG23 THR X 44 20.742 7.479 1.556 1.00 0.00 H new ATOM 673 N TYR X 45 22.458 9.474 3.936 1.00 0.00 N ATOM 674 CA TYR X 45 21.891 9.433 5.278 1.00 0.00 C ATOM 675 C TYR X 45 21.039 10.668 5.545 1.00 0.00 C ATOM 676 O TYR X 45 21.456 11.795 5.280 1.00 0.00 O ATOM 677 CB TYR X 45 23.005 9.358 6.322 1.00 0.00 C ATOM 678 CG TYR X 45 22.441 9.732 7.671 1.00 0.00 C ATOM 679 CD1 TYR X 45 21.269 9.119 8.132 1.00 0.00 C ATOM 680 CD2 TYR X 45 23.084 10.695 8.459 1.00 0.00 C ATOM 681 CE1 TYR X 45 20.740 9.469 9.380 1.00 0.00 C ATOM 682 CE2 TYR X 45 22.555 11.043 9.709 1.00 0.00 C ATOM 683 CZ TYR X 45 21.384 10.430 10.169 1.00 0.00 C ATOM 684 OH TYR X 45 20.861 10.774 11.399 1.00 0.00 O ATOM 0 H TYR X 45 22.679 10.409 3.594 1.00 0.00 H new ATOM 0 HA TYR X 45 21.263 8.545 5.348 1.00 0.00 H new ATOM 0 HB2 TYR X 45 23.423 8.352 6.355 1.00 0.00 H new ATOM 0 HB3 TYR X 45 23.818 10.033 6.054 1.00 0.00 H new ATOM 0 HD1 TYR X 45 20.773 8.376 7.525 1.00 0.00 H new ATOM 0 HD2 TYR X 45 23.987 11.169 8.103 1.00 0.00 H new ATOM 0 HE1 TYR X 45 19.835 8.998 9.734 1.00 0.00 H new ATOM 0 HE2 TYR X 45 23.051 11.785 10.318 1.00 0.00 H new ATOM 0 HH TYR X 45 21.429 11.454 11.818 1.00 0.00 H new ATOM 694 N ASP X 46 19.844 10.443 6.077 1.00 0.00 N ATOM 695 CA ASP X 46 18.935 11.539 6.387 1.00 0.00 C ATOM 696 C ASP X 46 18.556 11.510 7.864 1.00 0.00 C ATOM 697 O ASP X 46 17.987 10.532 8.349 1.00 0.00 O ATOM 698 CB ASP X 46 17.676 11.432 5.526 1.00 0.00 C ATOM 699 CG ASP X 46 17.942 12.013 4.142 1.00 0.00 C ATOM 700 OD1 ASP X 46 18.739 12.932 4.049 1.00 0.00 O ATOM 701 OD2 ASP X 46 17.347 11.529 3.193 1.00 0.00 O ATOM 0 H ASP X 46 19.483 9.516 6.302 1.00 0.00 H new ATOM 0 HA ASP X 46 19.437 12.482 6.171 1.00 0.00 H new ATOM 0 HB2 ASP X 46 17.372 10.389 5.440 1.00 0.00 H new ATOM 0 HB3 ASP X 46 16.853 11.966 6.002 1.00 0.00 H new ATOM 706 N ASP X 47 18.878 12.586 8.574 1.00 0.00 N ATOM 707 CA ASP X 47 18.569 12.674 9.997 1.00 0.00 C ATOM 708 C ASP X 47 17.083 12.931 10.208 1.00 0.00 C ATOM 709 O ASP X 47 16.517 12.557 11.234 1.00 0.00 O ATOM 710 CB ASP X 47 19.375 13.805 10.635 1.00 0.00 C ATOM 711 CG ASP X 47 18.671 15.140 10.409 1.00 0.00 C ATOM 712 OD1 ASP X 47 17.690 15.393 11.088 1.00 0.00 O ATOM 713 OD2 ASP X 47 19.125 15.889 9.559 1.00 0.00 O ATOM 0 H ASP X 47 19.350 13.405 8.191 1.00 0.00 H new ATOM 0 HA ASP X 47 18.833 11.726 10.466 1.00 0.00 H new ATOM 0 HB2 ASP X 47 19.491 13.622 11.703 1.00 0.00 H new ATOM 0 HB3 ASP X 47 20.377 13.836 10.206 1.00 0.00 H new ATOM 718 N ALA X 48 16.461 13.576 9.228 1.00 0.00 N ATOM 719 CA ALA X 48 15.040 13.886 9.314 1.00 0.00 C ATOM 720 C ALA X 48 14.207 12.628 9.096 1.00 0.00 C ATOM 721 O ALA X 48 13.113 12.493 9.644 1.00 0.00 O ATOM 722 CB ALA X 48 14.672 14.938 8.266 1.00 0.00 C ATOM 0 H ALA X 48 16.915 13.892 8.371 1.00 0.00 H new ATOM 0 HA ALA X 48 14.829 14.279 10.309 1.00 0.00 H new ATOM 0 HB1 ALA X 48 13.608 15.165 8.336 1.00 0.00 H new ATOM 0 HB2 ALA X 48 15.249 15.846 8.443 1.00 0.00 H new ATOM 0 HB3 ALA X 48 14.896 14.554 7.271 1.00 0.00 H new ATOM 728 N THR X 49 14.732 11.712 8.289 1.00 0.00 N ATOM 729 CA THR X 49 14.027 10.469 8.001 1.00 0.00 C ATOM 730 C THR X 49 14.720 9.287 8.669 1.00 0.00 C ATOM 731 O THR X 49 14.251 8.153 8.579 1.00 0.00 O ATOM 732 CB THR X 49 13.971 10.233 6.496 1.00 0.00 C ATOM 733 OG1 THR X 49 15.252 10.480 5.935 1.00 0.00 O ATOM 734 CG2 THR X 49 12.945 11.176 5.867 1.00 0.00 C ATOM 0 H THR X 49 15.636 11.806 7.826 1.00 0.00 H new ATOM 0 HA THR X 49 13.015 10.556 8.396 1.00 0.00 H new ATOM 0 HB THR X 49 13.679 9.202 6.299 1.00 0.00 H new ATOM 0 HG1 THR X 49 15.220 10.328 4.967 1.00 0.00 H new ATOM 0 HG21 THR X 49 12.906 11.006 4.791 1.00 0.00 H new ATOM 0 HG22 THR X 49 11.963 10.986 6.300 1.00 0.00 H new ATOM 0 HG23 THR X 49 13.233 12.209 6.061 1.00 0.00 H new ATOM 742 N LYS X 50 15.841 9.561 9.328 1.00 0.00 N ATOM 743 CA LYS X 50 16.599 8.514 10.007 1.00 0.00 C ATOM 744 C LYS X 50 16.586 7.219 9.201 1.00 0.00 C ATOM 745 O LYS X 50 16.315 6.145 9.739 1.00 0.00 O ATOM 746 CB LYS X 50 16.016 8.260 11.401 1.00 0.00 C ATOM 747 CG LYS X 50 14.486 8.297 11.340 1.00 0.00 C ATOM 748 CD LYS X 50 13.911 8.010 12.726 1.00 0.00 C ATOM 749 CE LYS X 50 13.077 9.204 13.195 1.00 0.00 C ATOM 750 NZ LYS X 50 12.710 9.021 14.628 1.00 0.00 N ATOM 0 H LYS X 50 16.244 10.495 9.407 1.00 0.00 H new ATOM 0 HA LYS X 50 17.631 8.852 10.102 1.00 0.00 H new ATOM 0 HB2 LYS X 50 16.351 7.292 11.774 1.00 0.00 H new ATOM 0 HB3 LYS X 50 16.379 9.014 12.100 1.00 0.00 H new ATOM 0 HG2 LYS X 50 14.149 9.273 10.990 1.00 0.00 H new ATOM 0 HG3 LYS X 50 14.123 7.559 10.624 1.00 0.00 H new ATOM 0 HD2 LYS X 50 13.294 7.112 12.696 1.00 0.00 H new ATOM 0 HD3 LYS X 50 14.718 7.818 13.433 1.00 0.00 H new ATOM 0 HE2 LYS X 50 13.641 10.128 13.068 1.00 0.00 H new ATOM 0 HE3 LYS X 50 12.177 9.294 12.587 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 12.371 9.924 15.018 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 11.958 8.307 14.705 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 13.544 8.704 15.162 1.00 0.00 H new ATOM 764 N THR X 51 16.876 7.328 7.908 1.00 0.00 N ATOM 765 CA THR X 51 16.894 6.161 7.036 1.00 0.00 C ATOM 766 C THR X 51 18.196 6.100 6.246 1.00 0.00 C ATOM 767 O THR X 51 18.760 7.132 5.882 1.00 0.00 O ATOM 768 CB THR X 51 15.715 6.221 6.064 1.00 0.00 C ATOM 769 OG1 THR X 51 14.518 5.885 6.753 1.00 0.00 O ATOM 770 CG2 THR X 51 15.946 5.231 4.923 1.00 0.00 C ATOM 0 H THR X 51 17.100 8.208 7.444 1.00 0.00 H new ATOM 0 HA THR X 51 16.815 5.268 7.656 1.00 0.00 H new ATOM 0 HB THR X 51 15.628 7.228 5.656 1.00 0.00 H new ATOM 0 HG1 THR X 51 14.322 6.573 7.422 1.00 0.00 H new ATOM 0 HG21 THR X 51 15.106 5.273 4.229 1.00 0.00 H new ATOM 0 HG22 THR X 51 16.865 5.490 4.397 1.00 0.00 H new ATOM 0 HG23 THR X 51 16.032 4.223 5.328 1.00 0.00 H new ATOM 778 N PHE X 52 18.666 4.886 5.981 1.00 0.00 N ATOM 779 CA PHE X 52 19.903 4.701 5.228 1.00 0.00 C ATOM 780 C PHE X 52 19.655 3.852 3.985 1.00 0.00 C ATOM 781 O PHE X 52 19.035 2.791 4.062 1.00 0.00 O ATOM 782 CB PHE X 52 20.944 4.010 6.111 1.00 0.00 C ATOM 783 CG PHE X 52 21.540 5.011 7.071 1.00 0.00 C ATOM 784 CD1 PHE X 52 20.751 5.563 8.089 1.00 0.00 C ATOM 785 CD2 PHE X 52 22.884 5.384 6.948 1.00 0.00 C ATOM 786 CE1 PHE X 52 21.305 6.488 8.981 1.00 0.00 C ATOM 787 CE2 PHE X 52 23.437 6.310 7.840 1.00 0.00 C ATOM 788 CZ PHE X 52 22.649 6.861 8.857 1.00 0.00 C ATOM 0 H PHE X 52 18.213 4.020 6.274 1.00 0.00 H new ATOM 0 HA PHE X 52 20.269 5.680 4.919 1.00 0.00 H new ATOM 0 HB2 PHE X 52 20.481 3.192 6.664 1.00 0.00 H new ATOM 0 HB3 PHE X 52 21.728 3.573 5.492 1.00 0.00 H new ATOM 0 HD1 PHE X 52 19.715 5.274 8.185 1.00 0.00 H new ATOM 0 HD2 PHE X 52 23.494 4.957 6.165 1.00 0.00 H new ATOM 0 HE1 PHE X 52 20.696 6.914 9.765 1.00 0.00 H new ATOM 0 HE2 PHE X 52 24.473 6.600 7.743 1.00 0.00 H new ATOM 0 HZ PHE X 52 23.077 7.574 9.546 1.00 0.00 H new ATOM 798 N THR X 53 20.145 4.321 2.844 1.00 0.00 N ATOM 799 CA THR X 53 19.973 3.593 1.591 1.00 0.00 C ATOM 800 C THR X 53 21.236 3.693 0.744 1.00 0.00 C ATOM 801 O THR X 53 21.976 4.673 0.836 1.00 0.00 O ATOM 802 CB THR X 53 18.789 4.168 0.809 1.00 0.00 C ATOM 803 OG1 THR X 53 17.576 3.735 1.406 1.00 0.00 O ATOM 804 CG2 THR X 53 18.848 3.685 -0.641 1.00 0.00 C ATOM 0 H THR X 53 20.662 5.196 2.759 1.00 0.00 H new ATOM 0 HA THR X 53 19.780 2.546 1.823 1.00 0.00 H new ATOM 0 HB THR X 53 18.835 5.257 0.827 1.00 0.00 H new ATOM 0 HG1 THR X 53 16.817 4.103 0.908 1.00 0.00 H new ATOM 0 HG21 THR X 53 18.004 4.095 -1.196 1.00 0.00 H new ATOM 0 HG22 THR X 53 19.780 4.019 -1.098 1.00 0.00 H new ATOM 0 HG23 THR X 53 18.802 2.596 -0.664 1.00 0.00 H new ATOM 812 N VAL X 54 21.478 2.682 -0.081 1.00 0.00 N ATOM 813 CA VAL X 54 22.658 2.682 -0.938 1.00 0.00 C ATOM 814 C VAL X 54 22.265 2.374 -2.378 1.00 0.00 C ATOM 815 O VAL X 54 21.569 1.394 -2.648 1.00 0.00 O ATOM 816 CB VAL X 54 23.671 1.650 -0.427 1.00 0.00 C ATOM 817 CG1 VAL X 54 22.941 0.567 0.369 1.00 0.00 C ATOM 818 CG2 VAL X 54 24.405 1.004 -1.608 1.00 0.00 C ATOM 0 H VAL X 54 20.881 1.860 -0.175 1.00 0.00 H new ATOM 0 HA VAL X 54 23.117 3.670 -0.911 1.00 0.00 H new ATOM 0 HB VAL X 54 24.396 2.152 0.214 1.00 0.00 H new ATOM 0 HG11 VAL X 54 23.662 -0.166 0.732 1.00 0.00 H new ATOM 0 HG12 VAL X 54 22.428 1.022 1.216 1.00 0.00 H new ATOM 0 HG13 VAL X 54 22.212 0.072 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL X 54 25.122 0.273 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL X 54 23.684 0.507 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL X 54 24.932 1.773 -2.173 1.00 0.00 H new ATOM 828 N THR X 55 22.718 3.212 -3.297 1.00 0.00 N ATOM 829 CA THR X 55 22.414 3.019 -4.704 1.00 0.00 C ATOM 830 C THR X 55 23.700 2.971 -5.518 1.00 0.00 C ATOM 831 O THR X 55 24.573 3.825 -5.364 1.00 0.00 O ATOM 832 CB THR X 55 21.532 4.162 -5.198 1.00 0.00 C ATOM 833 OG1 THR X 55 20.513 4.421 -4.243 1.00 0.00 O ATOM 834 CG2 THR X 55 20.895 3.774 -6.533 1.00 0.00 C ATOM 0 H THR X 55 23.295 4.028 -3.094 1.00 0.00 H new ATOM 0 HA THR X 55 21.885 2.074 -4.827 1.00 0.00 H new ATOM 0 HB THR X 55 22.139 5.057 -5.332 1.00 0.00 H new ATOM 0 HG1 THR X 55 19.947 5.156 -4.559 1.00 0.00 H new ATOM 0 HG21 THR X 55 20.265 4.590 -6.886 1.00 0.00 H new ATOM 0 HG22 THR X 55 21.677 3.576 -7.266 1.00 0.00 H new ATOM 0 HG23 THR X 55 20.288 2.878 -6.400 1.00 0.00 H new ATOM 842 N GLU X 56 23.814 1.969 -6.381 1.00 0.00 N ATOM 843 CA GLU X 56 25.005 1.825 -7.209 1.00 0.00 C ATOM 844 C GLU X 56 24.819 2.536 -8.545 1.00 0.00 C ATOM 845 O GLU X 56 25.698 2.418 -9.383 1.00 0.00 O ATOM 846 CB GLU X 56 25.295 0.343 -7.455 1.00 0.00 C ATOM 847 CG GLU X 56 24.591 -0.501 -6.391 1.00 0.00 C ATOM 848 CD GLU X 56 24.847 -1.982 -6.648 1.00 0.00 C ATOM 849 OE1 GLU X 56 25.558 -2.285 -7.591 1.00 0.00 O ATOM 850 OE2 GLU X 56 24.328 -2.792 -5.897 1.00 0.00 O ATOM 851 OXT GLU X 56 23.800 3.186 -8.713 1.00 0.00 O ATOM 0 H GLU X 56 23.104 1.251 -6.525 1.00 0.00 H new ATOM 0 HA GLU X 56 25.846 2.278 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU X 56 24.951 0.055 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU X 56 26.370 0.162 -7.425 1.00 0.00 H new ATOM 0 HG2 GLU X 56 24.953 -0.227 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.520 -0.301 -6.406 1.00 0.00 H new