USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=19 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 1 MET N :NH3+ 172:sc= 0.344 (180deg=-1.3) USER MOD Set 1.2: X 2 GLN : amide:sc= -1.47! C(o=-1.1!,f=-18!) USER MOD Single : X 1 MET CE :methyl -136:sc= -0.107 (180deg=-2.64!) USER MOD Single : X 3 TYR OH : rot -25:sc= -6.1! USER MOD Single : X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 8 ASN : amide:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : X 10 LYS NZ :NH3+ -140:sc= 0.831 (180deg=0.0539) USER MOD Single : X 11 THR OG1 : rot 180:sc= 0 USER MOD Single : X 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 16 THR OG1 : rot 124:sc= 0.226 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 13:sc= 0.141 USER MOD Single : X 25 THR OG1 : rot 49:sc= 0.519 USER MOD Single : X 28 LYS NZ :NH3+ -150:sc= 0.231 (180deg=0.00925) USER MOD Single : X 31 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0286) USER MOD Single : X 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= -3.35! K(o=-3.4!,f=-0.64) USER MOD Single : X 37 ASN : amide:sc= -0.081 K(o=-0.081,f=-1.1) USER MOD Single : X 44 THR OG1 : rot 180:sc= -0.0903 USER MOD Single : X 45 TYR OH : rot 180:sc= -0.26 USER MOD Single : X 49 THR OG1 : rot -160:sc= -3.2 USER MOD Single : X 50 LYS NZ :NH3+ -158:sc= -0.0226 (180deg=-0.213) USER MOD Single : X 51 THR OG1 : rot 61:sc= 1.06 USER MOD Single : X 53 THR OG1 : rot 180:sc= 0 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 12.747 5.829 15.908 1.00 0.00 N ATOM 2 CA MET X 1 14.146 5.365 15.683 1.00 0.00 C ATOM 3 C MET X 1 14.145 4.238 14.659 1.00 0.00 C ATOM 4 O MET X 1 15.027 3.382 14.667 1.00 0.00 O ATOM 5 CB MET X 1 14.733 4.863 17.002 1.00 0.00 C ATOM 6 CG MET X 1 13.627 4.222 17.842 1.00 0.00 C ATOM 7 SD MET X 1 14.307 3.697 19.435 1.00 0.00 S ATOM 8 CE MET X 1 13.260 2.238 19.661 1.00 0.00 C ATOM 0 H1 MET X 1 12.728 6.501 16.701 1.00 0.00 H new ATOM 0 H2 MET X 1 12.394 6.297 15.049 1.00 0.00 H new ATOM 0 H3 MET X 1 12.142 5.013 16.131 1.00 0.00 H new ATOM 0 HA MET X 1 14.751 6.191 15.311 1.00 0.00 H new ATOM 0 HB2 MET X 1 15.523 4.138 16.808 1.00 0.00 H new ATOM 0 HB3 MET X 1 15.186 5.690 17.549 1.00 0.00 H new ATOM 0 HG2 MET X 1 12.815 4.933 17.997 1.00 0.00 H new ATOM 0 HG3 MET X 1 13.205 3.366 17.315 1.00 0.00 H new ATOM 0 HE1 MET X 1 12.899 2.205 20.689 1.00 0.00 H new ATOM 0 HE2 MET X 1 12.411 2.291 18.980 1.00 0.00 H new ATOM 0 HE3 MET X 1 13.839 1.339 19.450 1.00 0.00 H new ATOM 19 N GLN X 2 13.148 4.240 13.784 1.00 0.00 N ATOM 20 CA GLN X 2 13.046 3.206 12.764 1.00 0.00 C ATOM 21 C GLN X 2 13.750 3.638 11.482 1.00 0.00 C ATOM 22 O GLN X 2 13.516 4.731 10.969 1.00 0.00 O ATOM 23 CB GLN X 2 11.574 2.908 12.463 1.00 0.00 C ATOM 24 CG GLN X 2 10.684 3.716 13.409 1.00 0.00 C ATOM 25 CD GLN X 2 10.715 5.191 13.025 1.00 0.00 C ATOM 26 OE1 GLN X 2 11.091 6.037 13.837 1.00 0.00 O ATOM 27 NE2 GLN X 2 10.339 5.553 11.829 1.00 0.00 N ATOM 0 H GLN X 2 12.405 4.939 13.760 1.00 0.00 H new ATOM 0 HA GLN X 2 13.530 2.306 13.143 1.00 0.00 H new ATOM 0 HB2 GLN X 2 11.346 3.161 11.428 1.00 0.00 H new ATOM 0 HB3 GLN X 2 11.376 1.843 12.582 1.00 0.00 H new ATOM 0 HG2 GLN X 2 9.661 3.342 13.366 1.00 0.00 H new ATOM 0 HG3 GLN X 2 11.026 3.592 14.437 1.00 0.00 H new ATOM 0 HE21 GLN X 2 10.028 4.851 11.158 1.00 0.00 H new ATOM 0 HE22 GLN X 2 10.356 6.538 11.565 1.00 0.00 H new ATOM 36 N TYR X 3 14.605 2.760 10.967 1.00 0.00 N ATOM 37 CA TYR X 3 15.332 3.043 9.737 1.00 0.00 C ATOM 38 C TYR X 3 15.060 1.958 8.714 1.00 0.00 C ATOM 39 O TYR X 3 14.791 0.809 9.066 1.00 0.00 O ATOM 40 CB TYR X 3 16.835 3.114 10.004 1.00 0.00 C ATOM 41 CG TYR X 3 17.068 3.262 11.486 1.00 0.00 C ATOM 42 CD1 TYR X 3 16.800 2.188 12.341 1.00 0.00 C ATOM 43 CD2 TYR X 3 17.545 4.471 12.002 1.00 0.00 C ATOM 44 CE1 TYR X 3 17.009 2.325 13.715 1.00 0.00 C ATOM 45 CE2 TYR X 3 17.752 4.608 13.377 1.00 0.00 C ATOM 46 CZ TYR X 3 17.484 3.534 14.232 1.00 0.00 C ATOM 47 OH TYR X 3 17.684 3.668 15.590 1.00 0.00 O ATOM 0 H TYR X 3 14.810 1.851 11.381 1.00 0.00 H new ATOM 0 HA TYR X 3 14.992 4.005 9.353 1.00 0.00 H new ATOM 0 HB2 TYR X 3 17.325 2.213 9.635 1.00 0.00 H new ATOM 0 HB3 TYR X 3 17.272 3.957 9.469 1.00 0.00 H new ATOM 0 HD1 TYR X 3 16.432 1.255 11.940 1.00 0.00 H new ATOM 0 HD2 TYR X 3 17.753 5.298 11.339 1.00 0.00 H new ATOM 0 HE1 TYR X 3 16.804 1.497 14.378 1.00 0.00 H new ATOM 0 HE2 TYR X 3 18.118 5.541 13.779 1.00 0.00 H new ATOM 0 HH TYR X 3 17.106 3.039 16.069 1.00 0.00 H new ATOM 57 N LYS X 4 15.129 2.327 7.441 1.00 0.00 N ATOM 58 CA LYS X 4 14.886 1.371 6.370 1.00 0.00 C ATOM 59 C LYS X 4 16.129 1.219 5.508 1.00 0.00 C ATOM 60 O LYS X 4 16.854 2.184 5.267 1.00 0.00 O ATOM 61 CB LYS X 4 13.710 1.836 5.505 1.00 0.00 C ATOM 62 CG LYS X 4 12.437 1.889 6.354 1.00 0.00 C ATOM 63 CD LYS X 4 12.009 0.468 6.730 1.00 0.00 C ATOM 64 CE LYS X 4 10.482 0.384 6.761 1.00 0.00 C ATOM 65 NZ LYS X 4 9.971 0.105 5.389 1.00 0.00 N ATOM 0 H LYS X 4 15.349 3.272 7.128 1.00 0.00 H new ATOM 0 HA LYS X 4 14.643 0.406 6.814 1.00 0.00 H new ATOM 0 HB2 LYS X 4 13.921 2.820 5.086 1.00 0.00 H new ATOM 0 HB3 LYS X 4 13.571 1.155 4.666 1.00 0.00 H new ATOM 0 HG2 LYS X 4 12.613 2.477 7.255 1.00 0.00 H new ATOM 0 HG3 LYS X 4 11.640 2.385 5.801 1.00 0.00 H new ATOM 0 HD2 LYS X 4 12.408 -0.246 6.009 1.00 0.00 H new ATOM 0 HD3 LYS X 4 12.418 0.200 7.704 1.00 0.00 H new ATOM 0 HE2 LYS X 4 10.164 -0.402 7.446 1.00 0.00 H new ATOM 0 HE3 LYS X 4 10.063 1.319 7.133 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 8.933 0.048 5.410 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 10.263 0.870 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 10.360 -0.798 5.050 1.00 0.00 H new ATOM 79 N LEU X 5 16.374 0.001 5.052 1.00 0.00 N ATOM 80 CA LEU X 5 17.538 -0.269 4.224 1.00 0.00 C ATOM 81 C LEU X 5 17.109 -0.750 2.841 1.00 0.00 C ATOM 82 O LEU X 5 16.518 -1.820 2.700 1.00 0.00 O ATOM 83 CB LEU X 5 18.412 -1.324 4.905 1.00 0.00 C ATOM 84 CG LEU X 5 19.643 -1.641 4.044 1.00 0.00 C ATOM 85 CD1 LEU X 5 19.250 -2.560 2.884 1.00 0.00 C ATOM 86 CD2 LEU X 5 20.238 -0.342 3.484 1.00 0.00 C ATOM 0 H LEU X 5 15.787 -0.811 5.240 1.00 0.00 H new ATOM 0 HA LEU X 5 18.111 0.650 4.102 1.00 0.00 H new ATOM 0 HB2 LEU X 5 18.729 -0.965 5.884 1.00 0.00 H new ATOM 0 HB3 LEU X 5 17.833 -2.233 5.070 1.00 0.00 H new ATOM 0 HG LEU X 5 20.385 -2.142 4.666 1.00 0.00 H new ATOM 0 HD11 LEU X 5 20.130 -2.779 2.279 1.00 0.00 H new ATOM 0 HD12 LEU X 5 18.841 -3.490 3.279 1.00 0.00 H new ATOM 0 HD13 LEU X 5 18.499 -2.066 2.267 1.00 0.00 H new ATOM 0 HD21 LEU X 5 21.111 -0.575 2.874 1.00 0.00 H new ATOM 0 HD22 LEU X 5 19.493 0.165 2.872 1.00 0.00 H new ATOM 0 HD23 LEU X 5 20.534 0.308 4.308 1.00 0.00 H new ATOM 98 N ILE X 6 17.409 0.053 1.822 1.00 0.00 N ATOM 99 CA ILE X 6 17.049 -0.294 0.451 1.00 0.00 C ATOM 100 C ILE X 6 18.288 -0.479 -0.408 1.00 0.00 C ATOM 101 O ILE X 6 19.194 0.355 -0.399 1.00 0.00 O ATOM 102 CB ILE X 6 16.184 0.805 -0.159 1.00 0.00 C ATOM 103 CG1 ILE X 6 14.746 0.657 0.336 1.00 0.00 C ATOM 104 CG2 ILE X 6 16.213 0.696 -1.685 1.00 0.00 C ATOM 105 CD1 ILE X 6 14.182 -0.703 -0.083 1.00 0.00 C ATOM 0 H ILE X 6 17.898 0.943 1.920 1.00 0.00 H new ATOM 0 HA ILE X 6 16.494 -1.231 0.480 1.00 0.00 H new ATOM 0 HB ILE X 6 16.573 1.778 0.141 1.00 0.00 H new ATOM 0 HG12 ILE X 6 14.715 0.753 1.421 1.00 0.00 H new ATOM 0 HG13 ILE X 6 14.128 1.457 -0.073 1.00 0.00 H new ATOM 0 HG21 ILE X 6 15.594 1.482 -2.118 1.00 0.00 H new ATOM 0 HG22 ILE X 6 17.238 0.805 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE X 6 15.827 -0.277 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE X 6 13.157 -0.798 0.275 1.00 0.00 H new ATOM 0 HD12 ILE X 6 14.196 -0.783 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE X 6 14.791 -1.498 0.347 1.00 0.00 H new ATOM 117 N LEU X 7 18.318 -1.570 -1.160 1.00 0.00 N ATOM 118 CA LEU X 7 19.444 -1.850 -2.034 1.00 0.00 C ATOM 119 C LEU X 7 19.010 -1.794 -3.496 1.00 0.00 C ATOM 120 O LEU X 7 18.024 -2.419 -3.885 1.00 0.00 O ATOM 121 CB LEU X 7 20.012 -3.235 -1.717 1.00 0.00 C ATOM 122 CG LEU X 7 21.380 -3.097 -1.043 1.00 0.00 C ATOM 123 CD1 LEU X 7 22.415 -2.654 -2.075 1.00 0.00 C ATOM 124 CD2 LEU X 7 21.310 -2.058 0.081 1.00 0.00 C ATOM 0 H LEU X 7 17.578 -2.272 -1.182 1.00 0.00 H new ATOM 0 HA LEU X 7 20.213 -1.095 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU X 7 19.328 -3.777 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.106 -3.817 -2.634 1.00 0.00 H new ATOM 0 HG LEU X 7 21.667 -4.061 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU X 7 23.389 -2.556 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU X 7 22.476 -3.396 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU X 7 22.120 -1.693 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU X 7 22.288 -1.967 0.554 1.00 0.00 H new ATOM 0 HD22 LEU X 7 21.016 -1.093 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU X 7 20.576 -2.373 0.823 1.00 0.00 H new ATOM 136 N ASN X 8 19.757 -1.044 -4.301 1.00 0.00 N ATOM 137 CA ASN X 8 19.445 -0.915 -5.717 1.00 0.00 C ATOM 138 C ASN X 8 20.666 -1.256 -6.564 1.00 0.00 C ATOM 139 O ASN X 8 21.633 -1.842 -6.076 1.00 0.00 O ATOM 140 CB ASN X 8 18.986 0.512 -6.029 1.00 0.00 C ATOM 141 CG ASN X 8 17.769 0.870 -5.182 1.00 0.00 C ATOM 142 OD1 ASN X 8 17.698 1.968 -4.629 1.00 0.00 O ATOM 143 ND2 ASN X 8 16.800 0.006 -5.049 1.00 0.00 N ATOM 0 H ASN X 8 20.578 -0.520 -3.997 1.00 0.00 H new ATOM 0 HA ASN X 8 18.641 -1.611 -5.957 1.00 0.00 H new ATOM 0 HB2 ASN X 8 19.796 1.214 -5.830 1.00 0.00 H new ATOM 0 HB3 ASN X 8 18.740 0.600 -7.087 1.00 0.00 H new ATOM 0 HD21 ASN X 8 15.982 0.240 -4.486 1.00 0.00 H new ATOM 0 HD22 ASN X 8 16.861 -0.903 -5.508 1.00 0.00 H new ATOM 150 N GLY X 9 20.614 -0.884 -7.837 1.00 0.00 N ATOM 151 CA GLY X 9 21.721 -1.152 -8.751 1.00 0.00 C ATOM 152 C GLY X 9 21.212 -1.736 -10.066 1.00 0.00 C ATOM 153 O GLY X 9 20.009 -1.737 -10.329 1.00 0.00 O ATOM 0 H GLY X 9 19.823 -0.399 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY X 9 22.269 -0.230 -8.946 1.00 0.00 H new ATOM 0 HA3 GLY X 9 22.421 -1.847 -8.287 1.00 0.00 H new ATOM 157 N LYS X 10 22.132 -2.228 -10.890 1.00 0.00 N ATOM 158 CA LYS X 10 21.752 -2.807 -12.177 1.00 0.00 C ATOM 159 C LYS X 10 21.053 -4.144 -11.969 1.00 0.00 C ATOM 160 O LYS X 10 19.914 -4.335 -12.395 1.00 0.00 O ATOM 161 CB LYS X 10 22.983 -3.020 -13.068 1.00 0.00 C ATOM 162 CG LYS X 10 24.137 -2.128 -12.605 1.00 0.00 C ATOM 163 CD LYS X 10 23.721 -0.658 -12.687 1.00 0.00 C ATOM 164 CE LYS X 10 24.783 0.208 -12.014 1.00 0.00 C ATOM 165 NZ LYS X 10 24.242 1.579 -11.803 1.00 0.00 N ATOM 0 H LYS X 10 23.133 -2.239 -10.695 1.00 0.00 H new ATOM 0 HA LYS X 10 21.074 -2.109 -12.668 1.00 0.00 H new ATOM 0 HB2 LYS X 10 23.287 -4.066 -13.035 1.00 0.00 H new ATOM 0 HB3 LYS X 10 22.733 -2.794 -14.105 1.00 0.00 H new ATOM 0 HG2 LYS X 10 24.416 -2.380 -11.582 1.00 0.00 H new ATOM 0 HG3 LYS X 10 25.015 -2.302 -13.227 1.00 0.00 H new ATOM 0 HD2 LYS X 10 23.600 -0.360 -13.729 1.00 0.00 H new ATOM 0 HD3 LYS X 10 22.756 -0.514 -12.200 1.00 0.00 H new ATOM 0 HE2 LYS X 10 25.075 -0.231 -11.060 1.00 0.00 H new ATOM 0 HE3 LYS X 10 25.679 0.250 -12.633 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 24.983 2.280 -12.006 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 23.434 1.735 -12.439 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 23.930 1.681 -10.816 1.00 0.00 H new ATOM 179 N THR X 11 21.747 -5.063 -11.310 1.00 0.00 N ATOM 180 CA THR X 11 21.193 -6.384 -11.044 1.00 0.00 C ATOM 181 C THR X 11 21.227 -6.684 -9.550 1.00 0.00 C ATOM 182 O THR X 11 20.898 -7.789 -9.119 1.00 0.00 O ATOM 183 CB THR X 11 21.997 -7.444 -11.799 1.00 0.00 C ATOM 184 OG1 THR X 11 23.260 -6.905 -12.164 1.00 0.00 O ATOM 185 CG2 THR X 11 21.239 -7.866 -13.059 1.00 0.00 C ATOM 0 H THR X 11 22.691 -4.919 -10.951 1.00 0.00 H new ATOM 0 HA THR X 11 20.157 -6.403 -11.383 1.00 0.00 H new ATOM 0 HB THR X 11 22.141 -8.314 -11.158 1.00 0.00 H new ATOM 0 HG1 THR X 11 23.778 -7.583 -12.646 1.00 0.00 H new ATOM 0 HG21 THR X 11 21.815 -8.621 -13.594 1.00 0.00 H new ATOM 0 HG22 THR X 11 20.270 -8.279 -12.779 1.00 0.00 H new ATOM 0 HG23 THR X 11 21.091 -6.999 -13.702 1.00 0.00 H new ATOM 193 N LEU X 12 21.630 -5.690 -8.764 1.00 0.00 N ATOM 194 CA LEU X 12 21.707 -5.855 -7.316 1.00 0.00 C ATOM 195 C LEU X 12 20.596 -5.077 -6.625 1.00 0.00 C ATOM 196 O LEU X 12 20.655 -3.852 -6.522 1.00 0.00 O ATOM 197 CB LEU X 12 23.064 -5.360 -6.805 1.00 0.00 C ATOM 198 CG LEU X 12 23.336 -5.938 -5.412 1.00 0.00 C ATOM 199 CD1 LEU X 12 22.207 -5.544 -4.458 1.00 0.00 C ATOM 200 CD2 LEU X 12 23.420 -7.461 -5.500 1.00 0.00 C ATOM 0 H LEU X 12 21.906 -4.768 -9.102 1.00 0.00 H new ATOM 0 HA LEU X 12 21.592 -6.914 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU X 12 23.854 -5.660 -7.494 1.00 0.00 H new ATOM 0 HB3 LEU X 12 23.073 -4.271 -6.765 1.00 0.00 H new ATOM 0 HG LEU X 12 24.279 -5.541 -5.036 1.00 0.00 H new ATOM 0 HD11 LEU X 12 22.405 -5.957 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU X 12 22.149 -4.458 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU X 12 21.261 -5.936 -4.832 1.00 0.00 H new ATOM 0 HD21 LEU X 12 23.613 -7.873 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU X 12 22.478 -7.856 -5.879 1.00 0.00 H new ATOM 0 HD23 LEU X 12 24.229 -7.742 -6.174 1.00 0.00 H new ATOM 212 N LYS X 13 19.593 -5.796 -6.138 1.00 0.00 N ATOM 213 CA LYS X 13 18.482 -5.160 -5.439 1.00 0.00 C ATOM 214 C LYS X 13 18.174 -5.915 -4.158 1.00 0.00 C ATOM 215 O LYS X 13 18.193 -7.146 -4.131 1.00 0.00 O ATOM 216 CB LYS X 13 17.229 -5.133 -6.314 1.00 0.00 C ATOM 217 CG LYS X 13 16.001 -4.931 -5.419 1.00 0.00 C ATOM 218 CD LYS X 13 14.837 -4.387 -6.252 1.00 0.00 C ATOM 219 CE LYS X 13 14.919 -2.861 -6.312 1.00 0.00 C ATOM 220 NZ LYS X 13 13.904 -2.345 -7.275 1.00 0.00 N ATOM 0 H LYS X 13 19.525 -6.811 -6.212 1.00 0.00 H new ATOM 0 HA LYS X 13 18.774 -4.136 -5.206 1.00 0.00 H new ATOM 0 HB2 LYS X 13 17.298 -4.328 -7.046 1.00 0.00 H new ATOM 0 HB3 LYS X 13 17.139 -6.065 -6.872 1.00 0.00 H new ATOM 0 HG2 LYS X 13 15.718 -5.876 -4.955 1.00 0.00 H new ATOM 0 HG3 LYS X 13 16.238 -4.238 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS X 13 14.871 -4.803 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS X 13 13.888 -4.693 -5.813 1.00 0.00 H new ATOM 0 HE2 LYS X 13 14.745 -2.438 -5.323 1.00 0.00 H new ATOM 0 HE3 LYS X 13 15.918 -2.552 -6.620 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 13.960 -1.307 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 14.090 -2.739 -8.219 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 12.953 -2.628 -6.963 1.00 0.00 H new ATOM 234 N GLY X 14 17.884 -5.174 -3.101 1.00 0.00 N ATOM 235 CA GLY X 14 17.568 -5.787 -1.823 1.00 0.00 C ATOM 236 C GLY X 14 16.832 -4.807 -0.919 1.00 0.00 C ATOM 237 O GLY X 14 17.135 -3.614 -0.904 1.00 0.00 O ATOM 0 H GLY X 14 17.861 -4.154 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY X 14 16.954 -6.673 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY X 14 18.486 -6.118 -1.337 1.00 0.00 H new ATOM 241 N GLU X 15 15.876 -5.320 -0.150 1.00 0.00 N ATOM 242 CA GLU X 15 15.119 -4.482 0.770 1.00 0.00 C ATOM 243 C GLU X 15 15.050 -5.144 2.140 1.00 0.00 C ATOM 244 O GLU X 15 14.833 -6.351 2.246 1.00 0.00 O ATOM 245 CB GLU X 15 13.703 -4.255 0.239 1.00 0.00 C ATOM 246 CG GLU X 15 13.049 -5.604 -0.063 1.00 0.00 C ATOM 247 CD GLU X 15 11.541 -5.431 -0.212 1.00 0.00 C ATOM 248 OE1 GLU X 15 11.003 -4.534 0.416 1.00 0.00 O ATOM 249 OE2 GLU X 15 10.946 -6.199 -0.950 1.00 0.00 O ATOM 0 H GLU X 15 15.610 -6.305 -0.146 1.00 0.00 H new ATOM 0 HA GLU X 15 15.623 -3.520 0.859 1.00 0.00 H new ATOM 0 HB2 GLU X 15 13.111 -3.708 0.973 1.00 0.00 H new ATOM 0 HB3 GLU X 15 13.735 -3.644 -0.663 1.00 0.00 H new ATOM 0 HG2 GLU X 15 13.467 -6.024 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU X 15 13.265 -6.310 0.739 1.00 0.00 H new ATOM 256 N THR X 16 15.261 -4.357 3.185 1.00 0.00 N ATOM 257 CA THR X 16 15.241 -4.892 4.538 1.00 0.00 C ATOM 258 C THR X 16 14.596 -3.905 5.507 1.00 0.00 C ATOM 259 O THR X 16 14.447 -2.722 5.200 1.00 0.00 O ATOM 260 CB THR X 16 16.678 -5.196 4.975 1.00 0.00 C ATOM 261 OG1 THR X 16 17.001 -6.533 4.624 1.00 0.00 O ATOM 262 CG2 THR X 16 16.826 -5.020 6.489 1.00 0.00 C ATOM 0 H THR X 16 15.446 -3.356 3.124 1.00 0.00 H new ATOM 0 HA THR X 16 14.648 -5.807 4.549 1.00 0.00 H new ATOM 0 HB THR X 16 17.354 -4.504 4.473 1.00 0.00 H new ATOM 0 HG1 THR X 16 17.802 -6.539 4.059 1.00 0.00 H new ATOM 0 HG21 THR X 16 17.853 -5.240 6.782 1.00 0.00 H new ATOM 0 HG22 THR X 16 16.583 -3.993 6.761 1.00 0.00 H new ATOM 0 HG23 THR X 16 16.148 -5.702 7.003 1.00 0.00 H new ATOM 270 N THR X 17 14.232 -4.404 6.680 1.00 0.00 N ATOM 271 CA THR X 17 13.616 -3.570 7.703 1.00 0.00 C ATOM 272 C THR X 17 14.202 -3.915 9.067 1.00 0.00 C ATOM 273 O THR X 17 14.281 -5.086 9.439 1.00 0.00 O ATOM 274 CB THR X 17 12.104 -3.796 7.722 1.00 0.00 C ATOM 275 OG1 THR X 17 11.605 -3.544 9.028 1.00 0.00 O ATOM 276 CG2 THR X 17 11.802 -5.242 7.326 1.00 0.00 C ATOM 0 H THR X 17 14.352 -5.381 6.947 1.00 0.00 H new ATOM 0 HA THR X 17 13.817 -2.523 7.476 1.00 0.00 H new ATOM 0 HB THR X 17 11.624 -3.119 7.015 1.00 0.00 H new ATOM 0 HG1 THR X 17 10.636 -3.687 9.041 1.00 0.00 H new ATOM 0 HG21 THR X 17 10.724 -5.405 7.339 1.00 0.00 H new ATOM 0 HG22 THR X 17 12.186 -5.433 6.324 1.00 0.00 H new ATOM 0 HG23 THR X 17 12.280 -5.920 8.033 1.00 0.00 H new ATOM 284 N THR X 18 14.622 -2.896 9.806 1.00 0.00 N ATOM 285 CA THR X 18 15.207 -3.120 11.121 1.00 0.00 C ATOM 286 C THR X 18 14.846 -1.991 12.075 1.00 0.00 C ATOM 287 O THR X 18 14.658 -0.847 11.660 1.00 0.00 O ATOM 288 CB THR X 18 16.728 -3.213 11.005 1.00 0.00 C ATOM 289 OG1 THR X 18 17.090 -4.523 10.594 1.00 0.00 O ATOM 290 CG2 THR X 18 17.366 -2.906 12.360 1.00 0.00 C ATOM 0 H THR X 18 14.570 -1.918 9.522 1.00 0.00 H new ATOM 0 HA THR X 18 14.808 -4.055 11.515 1.00 0.00 H new ATOM 0 HB THR X 18 17.081 -2.490 10.269 1.00 0.00 H new ATOM 0 HG1 THR X 18 16.292 -5.001 10.284 1.00 0.00 H new ATOM 0 HG21 THR X 18 18.451 -2.973 12.275 1.00 0.00 H new ATOM 0 HG22 THR X 18 17.088 -1.900 12.673 1.00 0.00 H new ATOM 0 HG23 THR X 18 17.015 -3.626 13.099 1.00 0.00 H new ATOM 298 N GLU X 19 14.762 -2.319 13.355 1.00 0.00 N ATOM 299 CA GLU X 19 14.438 -1.326 14.367 1.00 0.00 C ATOM 300 C GLU X 19 15.521 -1.298 15.434 1.00 0.00 C ATOM 301 O GLU X 19 15.944 -2.344 15.926 1.00 0.00 O ATOM 302 CB GLU X 19 13.090 -1.650 15.009 1.00 0.00 C ATOM 303 CG GLU X 19 12.278 -0.364 15.141 1.00 0.00 C ATOM 304 CD GLU X 19 13.026 0.638 16.011 1.00 0.00 C ATOM 305 OE1 GLU X 19 13.129 0.398 17.202 1.00 0.00 O ATOM 306 OE2 GLU X 19 13.487 1.632 15.473 1.00 0.00 O ATOM 0 H GLU X 19 14.913 -3.261 13.716 1.00 0.00 H new ATOM 0 HA GLU X 19 14.379 -0.347 13.891 1.00 0.00 H new ATOM 0 HB2 GLU X 19 12.549 -2.376 14.402 1.00 0.00 H new ATOM 0 HB3 GLU X 19 13.239 -2.103 15.989 1.00 0.00 H new ATOM 0 HG2 GLU X 19 12.095 0.063 14.155 1.00 0.00 H new ATOM 0 HG3 GLU X 19 11.304 -0.583 15.579 1.00 0.00 H new ATOM 313 N ALA X 20 15.977 -0.102 15.780 1.00 0.00 N ATOM 314 CA ALA X 20 17.023 0.029 16.783 1.00 0.00 C ATOM 315 C ALA X 20 16.755 1.204 17.708 1.00 0.00 C ATOM 316 O ALA X 20 15.801 1.958 17.519 1.00 0.00 O ATOM 317 CB ALA X 20 18.372 0.235 16.097 1.00 0.00 C ATOM 0 H ALA X 20 15.645 0.779 15.388 1.00 0.00 H new ATOM 0 HA ALA X 20 17.036 -0.886 17.375 1.00 0.00 H new ATOM 0 HB1 ALA X 20 19.153 0.333 16.851 1.00 0.00 H new ATOM 0 HB2 ALA X 20 18.590 -0.621 15.458 1.00 0.00 H new ATOM 0 HB3 ALA X 20 18.338 1.140 15.491 1.00 0.00 H new ATOM 323 N VAL X 21 17.621 1.357 18.699 1.00 0.00 N ATOM 324 CA VAL X 21 17.501 2.449 19.649 1.00 0.00 C ATOM 325 C VAL X 21 17.860 3.757 18.972 1.00 0.00 C ATOM 326 O VAL X 21 17.258 4.798 19.234 1.00 0.00 O ATOM 327 CB VAL X 21 18.454 2.222 20.817 1.00 0.00 C ATOM 328 CG1 VAL X 21 18.055 0.947 21.561 1.00 0.00 C ATOM 329 CG2 VAL X 21 19.881 2.074 20.283 1.00 0.00 C ATOM 0 H VAL X 21 18.414 0.738 18.865 1.00 0.00 H new ATOM 0 HA VAL X 21 16.474 2.490 20.013 1.00 0.00 H new ATOM 0 HB VAL X 21 18.404 3.071 21.499 1.00 0.00 H new ATOM 0 HG11 VAL X 21 18.736 0.785 22.396 1.00 0.00 H new ATOM 0 HG12 VAL X 21 17.037 1.049 21.938 1.00 0.00 H new ATOM 0 HG13 VAL X 21 18.107 0.097 20.880 1.00 0.00 H new ATOM 0 HG21 VAL X 21 20.566 1.911 21.115 1.00 0.00 H new ATOM 0 HG22 VAL X 21 19.929 1.224 19.603 1.00 0.00 H new ATOM 0 HG23 VAL X 21 20.166 2.981 19.750 1.00 0.00 H new ATOM 339 N ASP X 22 18.852 3.690 18.100 1.00 0.00 N ATOM 340 CA ASP X 22 19.303 4.866 17.382 1.00 0.00 C ATOM 341 C ASP X 22 19.952 4.460 16.073 1.00 0.00 C ATOM 342 O ASP X 22 20.175 3.277 15.817 1.00 0.00 O ATOM 343 CB ASP X 22 20.308 5.642 18.232 1.00 0.00 C ATOM 344 CG ASP X 22 21.592 4.834 18.385 1.00 0.00 C ATOM 345 OD1 ASP X 22 22.202 4.531 17.373 1.00 0.00 O ATOM 346 OD2 ASP X 22 21.948 4.530 19.512 1.00 0.00 O ATOM 0 H ASP X 22 19.359 2.834 17.874 1.00 0.00 H new ATOM 0 HA ASP X 22 18.442 5.501 17.173 1.00 0.00 H new ATOM 0 HB2 ASP X 22 20.526 6.603 17.766 1.00 0.00 H new ATOM 0 HB3 ASP X 22 19.882 5.853 19.213 1.00 0.00 H new ATOM 351 N ALA X 23 20.254 5.452 15.244 1.00 0.00 N ATOM 352 CA ALA X 23 20.880 5.192 13.956 1.00 0.00 C ATOM 353 C ALA X 23 22.333 4.787 14.144 1.00 0.00 C ATOM 354 O ALA X 23 22.882 4.023 13.350 1.00 0.00 O ATOM 355 CB ALA X 23 20.800 6.439 13.076 1.00 0.00 C ATOM 0 H ALA X 23 20.077 6.437 15.440 1.00 0.00 H new ATOM 0 HA ALA X 23 20.348 4.374 13.470 1.00 0.00 H new ATOM 0 HB1 ALA X 23 21.271 6.236 12.114 1.00 0.00 H new ATOM 0 HB2 ALA X 23 19.755 6.707 12.919 1.00 0.00 H new ATOM 0 HB3 ALA X 23 21.317 7.264 13.566 1.00 0.00 H new ATOM 361 N ALA X 24 22.952 5.294 15.203 1.00 0.00 N ATOM 362 CA ALA X 24 24.340 4.962 15.479 1.00 0.00 C ATOM 363 C ALA X 24 24.485 3.450 15.568 1.00 0.00 C ATOM 364 O ALA X 24 25.464 2.879 15.092 1.00 0.00 O ATOM 365 CB ALA X 24 24.786 5.603 16.794 1.00 0.00 C ATOM 0 H ALA X 24 22.520 5.928 15.875 1.00 0.00 H new ATOM 0 HA ALA X 24 24.968 5.345 14.674 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.827 5.347 16.989 1.00 0.00 H new ATOM 0 HB2 ALA X 24 24.686 6.686 16.723 1.00 0.00 H new ATOM 0 HB3 ALA X 24 24.163 5.234 17.608 1.00 0.00 H new ATOM 371 N THR X 25 23.484 2.807 16.162 1.00 0.00 N ATOM 372 CA THR X 25 23.489 1.357 16.286 1.00 0.00 C ATOM 373 C THR X 25 23.102 0.719 14.956 1.00 0.00 C ATOM 374 O THR X 25 23.715 -0.252 14.514 1.00 0.00 O ATOM 375 CB THR X 25 22.506 0.918 17.374 1.00 0.00 C ATOM 376 OG1 THR X 25 21.361 1.758 17.343 1.00 0.00 O ATOM 377 CG2 THR X 25 23.178 1.018 18.743 1.00 0.00 C ATOM 0 H THR X 25 22.665 3.265 16.562 1.00 0.00 H new ATOM 0 HA THR X 25 24.492 1.032 16.561 1.00 0.00 H new ATOM 0 HB THR X 25 22.204 -0.114 17.196 1.00 0.00 H new ATOM 0 HG1 THR X 25 21.033 1.830 16.422 1.00 0.00 H new ATOM 0 HG21 THR X 25 22.477 0.705 19.516 1.00 0.00 H new ATOM 0 HG22 THR X 25 24.055 0.372 18.766 1.00 0.00 H new ATOM 0 HG23 THR X 25 23.482 2.049 18.925 1.00 0.00 H new ATOM 385 N ALA X 26 22.076 1.284 14.330 1.00 0.00 N ATOM 386 CA ALA X 26 21.596 0.781 13.047 1.00 0.00 C ATOM 387 C ALA X 26 22.720 0.791 12.015 1.00 0.00 C ATOM 388 O ALA X 26 22.785 -0.078 11.145 1.00 0.00 O ATOM 389 CB ALA X 26 20.435 1.643 12.550 1.00 0.00 C ATOM 0 H ALA X 26 21.561 2.088 14.688 1.00 0.00 H new ATOM 0 HA ALA X 26 21.253 -0.244 13.184 1.00 0.00 H new ATOM 0 HB1 ALA X 26 20.082 1.261 11.592 1.00 0.00 H new ATOM 0 HB2 ALA X 26 19.622 1.611 13.275 1.00 0.00 H new ATOM 0 HB3 ALA X 26 20.772 2.672 12.428 1.00 0.00 H new ATOM 395 N GLU X 27 23.594 1.789 12.110 1.00 0.00 N ATOM 396 CA GLU X 27 24.701 1.916 11.170 1.00 0.00 C ATOM 397 C GLU X 27 25.490 0.622 11.085 1.00 0.00 C ATOM 398 O GLU X 27 25.898 0.205 10.007 1.00 0.00 O ATOM 399 CB GLU X 27 25.624 3.055 11.606 1.00 0.00 C ATOM 400 CG GLU X 27 26.657 2.547 12.614 1.00 0.00 C ATOM 401 CD GLU X 27 27.806 1.862 11.882 1.00 0.00 C ATOM 402 OE1 GLU X 27 27.682 1.654 10.686 1.00 0.00 O ATOM 403 OE2 GLU X 27 28.797 1.563 12.526 1.00 0.00 O ATOM 0 H GLU X 27 23.557 2.517 12.824 1.00 0.00 H new ATOM 0 HA GLU X 27 24.291 2.136 10.184 1.00 0.00 H new ATOM 0 HB2 GLU X 27 26.130 3.475 10.737 1.00 0.00 H new ATOM 0 HB3 GLU X 27 25.036 3.858 12.051 1.00 0.00 H new ATOM 0 HG2 GLU X 27 27.037 3.378 13.208 1.00 0.00 H new ATOM 0 HG3 GLU X 27 26.188 1.848 13.307 1.00 0.00 H new ATOM 410 N LYS X 28 25.699 -0.014 12.219 1.00 0.00 N ATOM 411 CA LYS X 28 26.438 -1.259 12.245 1.00 0.00 C ATOM 412 C LYS X 28 25.611 -2.395 11.650 1.00 0.00 C ATOM 413 O LYS X 28 26.139 -3.260 10.950 1.00 0.00 O ATOM 414 CB LYS X 28 26.811 -1.593 13.688 1.00 0.00 C ATOM 415 CG LYS X 28 28.296 -1.306 13.924 1.00 0.00 C ATOM 416 CD LYS X 28 28.512 -0.925 15.390 1.00 0.00 C ATOM 417 CE LYS X 28 28.355 0.588 15.549 1.00 0.00 C ATOM 418 NZ LYS X 28 29.683 1.245 15.382 1.00 0.00 N ATOM 0 H LYS X 28 25.370 0.308 13.129 1.00 0.00 H new ATOM 0 HA LYS X 28 27.341 -1.144 11.645 1.00 0.00 H new ATOM 0 HB2 LYS X 28 26.204 -1.003 14.375 1.00 0.00 H new ATOM 0 HB3 LYS X 28 26.597 -2.642 13.894 1.00 0.00 H new ATOM 0 HG2 LYS X 28 28.892 -2.184 13.673 1.00 0.00 H new ATOM 0 HG3 LYS X 28 28.630 -0.498 13.273 1.00 0.00 H new ATOM 0 HD2 LYS X 28 27.792 -1.445 16.022 1.00 0.00 H new ATOM 0 HD3 LYS X 28 29.505 -1.235 15.716 1.00 0.00 H new ATOM 0 HE2 LYS X 28 27.652 0.971 14.809 1.00 0.00 H new ATOM 0 HE3 LYS X 28 27.943 0.821 16.531 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 29.714 2.114 15.952 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 30.433 0.597 15.697 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 29.829 1.482 14.380 1.00 0.00 H new ATOM 432 N VAL X 29 24.318 -2.404 11.959 1.00 0.00 N ATOM 433 CA VAL X 29 23.431 -3.461 11.479 1.00 0.00 C ATOM 434 C VAL X 29 23.108 -3.356 9.987 1.00 0.00 C ATOM 435 O VAL X 29 23.307 -4.317 9.243 1.00 0.00 O ATOM 436 CB VAL X 29 22.124 -3.426 12.272 1.00 0.00 C ATOM 437 CG1 VAL X 29 21.180 -4.509 11.746 1.00 0.00 C ATOM 438 CG2 VAL X 29 22.417 -3.681 13.752 1.00 0.00 C ATOM 0 H VAL X 29 23.862 -1.697 12.536 1.00 0.00 H new ATOM 0 HA VAL X 29 23.961 -4.402 11.627 1.00 0.00 H new ATOM 0 HB VAL X 29 21.656 -2.448 12.158 1.00 0.00 H new ATOM 0 HG11 VAL X 29 20.248 -4.485 12.311 1.00 0.00 H new ATOM 0 HG12 VAL X 29 20.970 -4.328 10.692 1.00 0.00 H new ATOM 0 HG13 VAL X 29 21.648 -5.487 11.860 1.00 0.00 H new ATOM 0 HG21 VAL X 29 21.485 -3.656 14.317 1.00 0.00 H new ATOM 0 HG22 VAL X 29 22.885 -4.659 13.867 1.00 0.00 H new ATOM 0 HG23 VAL X 29 23.090 -2.910 14.128 1.00 0.00 H new ATOM 448 N PHE X 30 22.574 -2.215 9.552 1.00 0.00 N ATOM 449 CA PHE X 30 22.200 -2.068 8.145 1.00 0.00 C ATOM 450 C PHE X 30 23.408 -1.872 7.237 1.00 0.00 C ATOM 451 O PHE X 30 23.468 -2.457 6.155 1.00 0.00 O ATOM 452 CB PHE X 30 21.188 -0.931 7.958 1.00 0.00 C ATOM 453 CG PHE X 30 21.842 0.427 8.084 1.00 0.00 C ATOM 454 CD1 PHE X 30 22.723 0.885 7.094 1.00 0.00 C ATOM 455 CD2 PHE X 30 21.543 1.239 9.183 1.00 0.00 C ATOM 456 CE1 PHE X 30 23.307 2.152 7.211 1.00 0.00 C ATOM 457 CE2 PHE X 30 22.124 2.505 9.298 1.00 0.00 C ATOM 458 CZ PHE X 30 23.008 2.961 8.313 1.00 0.00 C ATOM 0 H PHE X 30 22.394 -1.398 10.136 1.00 0.00 H new ATOM 0 HA PHE X 30 21.727 -3.004 7.848 1.00 0.00 H new ATOM 0 HB2 PHE X 30 20.719 -1.019 6.978 1.00 0.00 H new ATOM 0 HB3 PHE X 30 20.396 -1.023 8.701 1.00 0.00 H new ATOM 0 HD1 PHE X 30 22.951 0.261 6.242 1.00 0.00 H new ATOM 0 HD2 PHE X 30 20.862 0.887 9.944 1.00 0.00 H new ATOM 0 HE1 PHE X 30 23.988 2.505 6.451 1.00 0.00 H new ATOM 0 HE2 PHE X 30 21.891 3.131 10.147 1.00 0.00 H new ATOM 0 HZ PHE X 30 23.460 3.938 8.404 1.00 0.00 H new ATOM 468 N LYS X 31 24.371 -1.063 7.659 1.00 0.00 N ATOM 469 CA LYS X 31 25.549 -0.845 6.827 1.00 0.00 C ATOM 470 C LYS X 31 26.192 -2.187 6.510 1.00 0.00 C ATOM 471 O LYS X 31 26.806 -2.365 5.459 1.00 0.00 O ATOM 472 CB LYS X 31 26.558 0.061 7.533 1.00 0.00 C ATOM 473 CG LYS X 31 27.589 0.563 6.520 1.00 0.00 C ATOM 474 CD LYS X 31 27.034 1.786 5.789 1.00 0.00 C ATOM 475 CE LYS X 31 27.387 3.053 6.571 1.00 0.00 C ATOM 476 NZ LYS X 31 28.800 3.435 6.286 1.00 0.00 N ATOM 0 H LYS X 31 24.364 -0.559 8.546 1.00 0.00 H new ATOM 0 HA LYS X 31 25.241 -0.353 5.904 1.00 0.00 H new ATOM 0 HB2 LYS X 31 26.045 0.905 7.994 1.00 0.00 H new ATOM 0 HB3 LYS X 31 27.056 -0.486 8.334 1.00 0.00 H new ATOM 0 HG2 LYS X 31 28.518 0.821 7.028 1.00 0.00 H new ATOM 0 HG3 LYS X 31 27.825 -0.225 5.805 1.00 0.00 H new ATOM 0 HD2 LYS X 31 27.449 1.840 4.782 1.00 0.00 H new ATOM 0 HD3 LYS X 31 25.952 1.700 5.684 1.00 0.00 H new ATOM 0 HE2 LYS X 31 26.716 3.865 6.291 1.00 0.00 H new ATOM 0 HE3 LYS X 31 27.253 2.883 7.639 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 29.203 3.918 7.114 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 29.356 2.581 6.079 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 28.828 4.073 5.465 1.00 0.00 H new ATOM 490 N GLN X 32 26.023 -3.134 7.426 1.00 0.00 N ATOM 491 CA GLN X 32 26.566 -4.471 7.241 1.00 0.00 C ATOM 492 C GLN X 32 25.965 -5.117 5.998 1.00 0.00 C ATOM 493 O GLN X 32 26.603 -5.943 5.343 1.00 0.00 O ATOM 494 CB GLN X 32 26.261 -5.336 8.466 1.00 0.00 C ATOM 495 CG GLN X 32 27.008 -6.666 8.350 1.00 0.00 C ATOM 496 CD GLN X 32 27.206 -7.278 9.733 1.00 0.00 C ATOM 497 OE1 GLN X 32 28.155 -6.931 10.435 1.00 0.00 O ATOM 498 NE2 GLN X 32 26.361 -8.172 10.167 1.00 0.00 N ATOM 0 H GLN X 32 25.516 -3.000 8.301 1.00 0.00 H new ATOM 0 HA GLN X 32 27.646 -4.393 7.116 1.00 0.00 H new ATOM 0 HB2 GLN X 32 26.562 -4.816 9.376 1.00 0.00 H new ATOM 0 HB3 GLN X 32 25.188 -5.514 8.541 1.00 0.00 H new ATOM 0 HG2 GLN X 32 26.447 -7.353 7.717 1.00 0.00 H new ATOM 0 HG3 GLN X 32 27.975 -6.509 7.872 1.00 0.00 H new ATOM 0 HE21 GLN X 32 25.575 -8.457 9.582 1.00 0.00 H new ATOM 0 HE22 GLN X 32 26.486 -8.586 11.091 1.00 0.00 H new ATOM 507 N TYR X 33 24.731 -4.739 5.683 1.00 0.00 N ATOM 508 CA TYR X 33 24.040 -5.289 4.523 1.00 0.00 C ATOM 509 C TYR X 33 24.841 -5.029 3.250 1.00 0.00 C ATOM 510 O TYR X 33 25.027 -5.929 2.432 1.00 0.00 O ATOM 511 CB TYR X 33 22.656 -4.647 4.399 1.00 0.00 C ATOM 512 CG TYR X 33 21.813 -5.434 3.424 1.00 0.00 C ATOM 513 CD1 TYR X 33 22.120 -5.417 2.058 1.00 0.00 C ATOM 514 CD2 TYR X 33 20.722 -6.177 3.887 1.00 0.00 C ATOM 515 CE1 TYR X 33 21.334 -6.142 1.156 1.00 0.00 C ATOM 516 CE2 TYR X 33 19.936 -6.904 2.985 1.00 0.00 C ATOM 517 CZ TYR X 33 20.243 -6.887 1.619 1.00 0.00 C ATOM 518 OH TYR X 33 19.469 -7.603 0.729 1.00 0.00 O ATOM 0 H TYR X 33 24.190 -4.056 6.213 1.00 0.00 H new ATOM 0 HA TYR X 33 23.935 -6.366 4.656 1.00 0.00 H new ATOM 0 HB2 TYR X 33 22.170 -4.618 5.374 1.00 0.00 H new ATOM 0 HB3 TYR X 33 22.752 -3.615 4.060 1.00 0.00 H new ATOM 0 HD1 TYR X 33 22.963 -4.844 1.701 1.00 0.00 H new ATOM 0 HD2 TYR X 33 20.486 -6.190 4.941 1.00 0.00 H new ATOM 0 HE1 TYR X 33 21.569 -6.127 0.102 1.00 0.00 H new ATOM 0 HE2 TYR X 33 19.094 -7.477 3.342 1.00 0.00 H new ATOM 0 HH TYR X 33 18.754 -8.065 1.215 1.00 0.00 H new ATOM 528 N ALA X 34 25.319 -3.800 3.092 1.00 0.00 N ATOM 529 CA ALA X 34 26.106 -3.449 1.916 1.00 0.00 C ATOM 530 C ALA X 34 27.427 -4.212 1.924 1.00 0.00 C ATOM 531 O ALA X 34 27.829 -4.795 0.917 1.00 0.00 O ATOM 532 CB ALA X 34 26.381 -1.944 1.901 1.00 0.00 C ATOM 0 H ALA X 34 25.178 -3.038 3.755 1.00 0.00 H new ATOM 0 HA ALA X 34 25.543 -3.719 1.023 1.00 0.00 H new ATOM 0 HB1 ALA X 34 26.969 -1.690 1.019 1.00 0.00 H new ATOM 0 HB2 ALA X 34 25.436 -1.402 1.875 1.00 0.00 H new ATOM 0 HB3 ALA X 34 26.934 -1.666 2.798 1.00 0.00 H new ATOM 538 N ASN X 35 28.092 -4.203 3.073 1.00 0.00 N ATOM 539 CA ASN X 35 29.366 -4.897 3.216 1.00 0.00 C ATOM 540 C ASN X 35 29.164 -6.407 3.130 1.00 0.00 C ATOM 541 O ASN X 35 29.962 -7.119 2.521 1.00 0.00 O ATOM 542 CB ASN X 35 30.006 -4.542 4.560 1.00 0.00 C ATOM 543 CG ASN X 35 30.105 -3.028 4.706 1.00 0.00 C ATOM 544 OD1 ASN X 35 30.548 -2.531 5.740 1.00 0.00 O ATOM 545 ND2 ASN X 35 29.715 -2.261 3.724 1.00 0.00 N ATOM 0 H ASN X 35 27.772 -3.725 3.916 1.00 0.00 H new ATOM 0 HA ASN X 35 30.024 -4.582 2.406 1.00 0.00 H new ATOM 0 HB2 ASN X 35 29.413 -4.956 5.375 1.00 0.00 H new ATOM 0 HB3 ASN X 35 30.998 -4.988 4.629 1.00 0.00 H new ATOM 0 HD21 ASN X 35 29.777 -1.247 3.813 1.00 0.00 H new ATOM 0 HD22 ASN X 35 29.348 -2.676 2.868 1.00 0.00 H new ATOM 552 N ASP X 36 28.083 -6.888 3.742 1.00 0.00 N ATOM 553 CA ASP X 36 27.775 -8.315 3.726 1.00 0.00 C ATOM 554 C ASP X 36 27.431 -8.759 2.310 1.00 0.00 C ATOM 555 O ASP X 36 27.664 -9.907 1.928 1.00 0.00 O ATOM 556 CB ASP X 36 26.595 -8.605 4.658 1.00 0.00 C ATOM 557 CG ASP X 36 26.451 -10.109 4.863 1.00 0.00 C ATOM 558 OD1 ASP X 36 26.872 -10.850 3.990 1.00 0.00 O ATOM 559 OD2 ASP X 36 25.922 -10.498 5.892 1.00 0.00 O ATOM 0 H ASP X 36 27.411 -6.314 4.251 1.00 0.00 H new ATOM 0 HA ASP X 36 28.649 -8.868 4.071 1.00 0.00 H new ATOM 0 HB2 ASP X 36 26.749 -8.112 5.618 1.00 0.00 H new ATOM 0 HB3 ASP X 36 25.677 -8.198 4.234 1.00 0.00 H new ATOM 564 N ASN X 37 26.879 -7.833 1.537 1.00 0.00 N ATOM 565 CA ASN X 37 26.496 -8.094 0.155 1.00 0.00 C ATOM 566 C ASN X 37 27.421 -7.322 -0.778 1.00 0.00 C ATOM 567 O ASN X 37 26.958 -6.568 -1.631 1.00 0.00 O ATOM 568 CB ASN X 37 25.046 -7.669 -0.082 1.00 0.00 C ATOM 569 CG ASN X 37 24.377 -8.625 -1.064 1.00 0.00 C ATOM 570 OD1 ASN X 37 25.057 -9.279 -1.857 1.00 0.00 O ATOM 571 ND2 ASN X 37 23.079 -8.750 -1.057 1.00 0.00 N ATOM 0 H ASN X 37 26.684 -6.882 1.849 1.00 0.00 H new ATOM 0 HA ASN X 37 26.583 -9.162 -0.045 1.00 0.00 H new ATOM 0 HB2 ASN X 37 24.501 -7.664 0.862 1.00 0.00 H new ATOM 0 HB3 ASN X 37 25.016 -6.652 -0.473 1.00 0.00 H new ATOM 0 HD21 ASN X 37 22.625 -9.390 -1.709 1.00 0.00 H new ATOM 0 HD22 ASN X 37 22.518 -8.208 -0.400 1.00 0.00 H new ATOM 578 N GLY X 38 28.726 -7.525 -0.605 1.00 0.00 N ATOM 579 CA GLY X 38 29.737 -6.858 -1.424 1.00 0.00 C ATOM 580 C GLY X 38 29.130 -5.855 -2.398 1.00 0.00 C ATOM 581 O GLY X 38 29.313 -5.971 -3.610 1.00 0.00 O ATOM 0 H GLY X 38 29.111 -8.152 0.102 1.00 0.00 H new ATOM 0 HA2 GLY X 38 30.446 -6.345 -0.774 1.00 0.00 H new ATOM 0 HA3 GLY X 38 30.300 -7.606 -1.982 1.00 0.00 H new ATOM 585 N VAL X 39 28.418 -4.866 -1.870 1.00 0.00 N ATOM 586 CA VAL X 39 27.808 -3.854 -2.721 1.00 0.00 C ATOM 587 C VAL X 39 28.720 -2.639 -2.843 1.00 0.00 C ATOM 588 O VAL X 39 29.205 -2.111 -1.842 1.00 0.00 O ATOM 589 CB VAL X 39 26.458 -3.415 -2.152 1.00 0.00 C ATOM 590 CG1 VAL X 39 26.101 -2.034 -2.709 1.00 0.00 C ATOM 591 CG2 VAL X 39 25.377 -4.422 -2.556 1.00 0.00 C ATOM 0 H VAL X 39 28.251 -4.744 -0.871 1.00 0.00 H new ATOM 0 HA VAL X 39 27.657 -4.292 -3.707 1.00 0.00 H new ATOM 0 HB VAL X 39 26.519 -3.369 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL X 39 25.139 -1.717 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL X 39 26.869 -1.316 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL X 39 26.040 -2.085 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL X 39 24.416 -4.107 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL X 39 25.313 -4.470 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL X 39 25.632 -5.406 -2.164 1.00 0.00 H new ATOM 601 N ASP X 40 28.939 -2.196 -4.074 1.00 0.00 N ATOM 602 CA ASP X 40 29.782 -1.034 -4.314 1.00 0.00 C ATOM 603 C ASP X 40 29.007 0.020 -5.097 1.00 0.00 C ATOM 604 O ASP X 40 28.746 -0.146 -6.288 1.00 0.00 O ATOM 605 CB ASP X 40 31.031 -1.443 -5.097 1.00 0.00 C ATOM 606 CG ASP X 40 30.639 -1.949 -6.480 1.00 0.00 C ATOM 607 OD1 ASP X 40 29.800 -2.834 -6.550 1.00 0.00 O ATOM 608 OD2 ASP X 40 31.182 -1.447 -7.450 1.00 0.00 O ATOM 0 H ASP X 40 28.548 -2.620 -4.915 1.00 0.00 H new ATOM 0 HA ASP X 40 30.084 -0.616 -3.354 1.00 0.00 H new ATOM 0 HB2 ASP X 40 31.706 -0.592 -5.190 1.00 0.00 H new ATOM 0 HB3 ASP X 40 31.571 -2.220 -4.556 1.00 0.00 H new ATOM 613 N GLY X 41 28.640 1.100 -4.419 1.00 0.00 N ATOM 614 CA GLY X 41 27.893 2.174 -5.059 1.00 0.00 C ATOM 615 C GLY X 41 28.005 3.460 -4.262 1.00 0.00 C ATOM 616 O GLY X 41 29.037 3.739 -3.651 1.00 0.00 O ATOM 0 H GLY X 41 28.846 1.255 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY X 41 28.270 2.333 -6.069 1.00 0.00 H new ATOM 0 HA3 GLY X 41 26.845 1.889 -5.152 1.00 0.00 H new ATOM 620 N GLU X 42 26.928 4.228 -4.256 1.00 0.00 N ATOM 621 CA GLU X 42 26.896 5.472 -3.513 1.00 0.00 C ATOM 622 C GLU X 42 26.132 5.258 -2.217 1.00 0.00 C ATOM 623 O GLU X 42 25.111 4.571 -2.192 1.00 0.00 O ATOM 624 CB GLU X 42 26.227 6.571 -4.341 1.00 0.00 C ATOM 625 CG GLU X 42 26.708 6.485 -5.790 1.00 0.00 C ATOM 626 CD GLU X 42 26.794 7.881 -6.395 1.00 0.00 C ATOM 627 OE1 GLU X 42 27.338 8.756 -5.741 1.00 0.00 O ATOM 628 OE2 GLU X 42 26.316 8.056 -7.503 1.00 0.00 O ATOM 0 H GLU X 42 26.067 4.010 -4.757 1.00 0.00 H new ATOM 0 HA GLU X 42 27.916 5.784 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU X 42 25.143 6.463 -4.300 1.00 0.00 H new ATOM 0 HB3 GLU X 42 26.466 7.550 -3.925 1.00 0.00 H new ATOM 0 HG2 GLU X 42 27.684 6.002 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU X 42 26.024 5.869 -6.373 1.00 0.00 H new ATOM 635 N TRP X 43 26.633 5.846 -1.147 1.00 0.00 N ATOM 636 CA TRP X 43 25.988 5.709 0.146 1.00 0.00 C ATOM 637 C TRP X 43 25.358 7.035 0.556 1.00 0.00 C ATOM 638 O TRP X 43 25.940 8.100 0.351 1.00 0.00 O ATOM 639 CB TRP X 43 27.010 5.281 1.202 1.00 0.00 C ATOM 640 CG TRP X 43 26.635 3.945 1.765 1.00 0.00 C ATOM 641 CD1 TRP X 43 27.369 2.816 1.653 1.00 0.00 C ATOM 642 CD2 TRP X 43 25.448 3.586 2.525 1.00 0.00 C ATOM 643 NE1 TRP X 43 26.711 1.787 2.306 1.00 0.00 N ATOM 644 CE2 TRP X 43 25.519 2.213 2.857 1.00 0.00 C ATOM 645 CE3 TRP X 43 24.329 4.315 2.953 1.00 0.00 C ATOM 646 CZ2 TRP X 43 24.512 1.587 3.592 1.00 0.00 C ATOM 647 CZ3 TRP X 43 23.314 3.692 3.689 1.00 0.00 C ATOM 648 CH2 TRP X 43 23.403 2.329 4.009 1.00 0.00 C ATOM 0 H TRP X 43 27.477 6.418 -1.146 1.00 0.00 H new ATOM 0 HA TRP X 43 25.211 4.948 0.070 1.00 0.00 H new ATOM 0 HB2 TRP X 43 28.005 5.232 0.759 1.00 0.00 H new ATOM 0 HB3 TRP X 43 27.053 6.022 2.000 1.00 0.00 H new ATOM 0 HD1 TRP X 43 28.315 2.730 1.138 1.00 0.00 H new ATOM 0 HE1 TRP X 43 27.064 0.832 2.372 1.00 0.00 H new ATOM 0 HE3 TRP X 43 24.250 5.365 2.713 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 24.589 0.538 3.837 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 22.457 4.264 4.012 1.00 0.00 H new ATOM 0 HH2 TRP X 43 22.616 1.854 4.576 1.00 0.00 H new ATOM 659 N THR X 44 24.167 6.961 1.133 1.00 0.00 N ATOM 660 CA THR X 44 23.466 8.162 1.563 1.00 0.00 C ATOM 661 C THR X 44 22.971 8.013 2.997 1.00 0.00 C ATOM 662 O THR X 44 22.949 6.915 3.549 1.00 0.00 O ATOM 663 CB THR X 44 22.275 8.422 0.642 1.00 0.00 C ATOM 664 OG1 THR X 44 21.082 8.464 1.413 1.00 0.00 O ATOM 665 CG2 THR X 44 22.178 7.303 -0.395 1.00 0.00 C ATOM 0 H THR X 44 23.669 6.089 1.313 1.00 0.00 H new ATOM 0 HA THR X 44 24.160 9.001 1.516 1.00 0.00 H new ATOM 0 HB THR X 44 22.410 9.376 0.132 1.00 0.00 H new ATOM 0 HG1 THR X 44 20.317 8.632 0.824 1.00 0.00 H new ATOM 0 HG21 THR X 44 21.328 7.488 -1.052 1.00 0.00 H new ATOM 0 HG22 THR X 44 23.094 7.274 -0.985 1.00 0.00 H new ATOM 0 HG23 THR X 44 22.043 6.348 0.112 1.00 0.00 H new ATOM 673 N TYR X 45 22.562 9.130 3.588 1.00 0.00 N ATOM 674 CA TYR X 45 22.055 9.119 4.954 1.00 0.00 C ATOM 675 C TYR X 45 21.175 10.337 5.205 1.00 0.00 C ATOM 676 O TYR X 45 21.522 11.455 4.822 1.00 0.00 O ATOM 677 CB TYR X 45 23.212 9.113 5.951 1.00 0.00 C ATOM 678 CG TYR X 45 22.703 9.526 7.314 1.00 0.00 C ATOM 679 CD1 TYR X 45 21.512 8.982 7.811 1.00 0.00 C ATOM 680 CD2 TYR X 45 23.420 10.455 8.079 1.00 0.00 C ATOM 681 CE1 TYR X 45 21.040 9.364 9.072 1.00 0.00 C ATOM 682 CE2 TYR X 45 22.948 10.837 9.341 1.00 0.00 C ATOM 683 CZ TYR X 45 21.757 10.292 9.837 1.00 0.00 C ATOM 684 OH TYR X 45 21.290 10.670 11.080 1.00 0.00 O ATOM 0 H TYR X 45 22.571 10.049 3.146 1.00 0.00 H new ATOM 0 HA TYR X 45 21.461 8.215 5.089 1.00 0.00 H new ATOM 0 HB2 TYR X 45 23.657 8.119 6.003 1.00 0.00 H new ATOM 0 HB3 TYR X 45 23.995 9.796 5.621 1.00 0.00 H new ATOM 0 HD1 TYR X 45 20.958 8.267 7.221 1.00 0.00 H new ATOM 0 HD2 TYR X 45 24.337 10.877 7.695 1.00 0.00 H new ATOM 0 HE1 TYR X 45 20.122 8.943 9.455 1.00 0.00 H new ATOM 0 HE2 TYR X 45 23.502 11.552 9.931 1.00 0.00 H new ATOM 0 HH TYR X 45 21.907 11.320 11.477 1.00 0.00 H new ATOM 694 N ASP X 46 20.036 10.115 5.849 1.00 0.00 N ATOM 695 CA ASP X 46 19.113 11.202 6.147 1.00 0.00 C ATOM 696 C ASP X 46 18.875 11.305 7.649 1.00 0.00 C ATOM 697 O ASP X 46 18.379 10.368 8.274 1.00 0.00 O ATOM 698 CB ASP X 46 17.783 10.968 5.430 1.00 0.00 C ATOM 699 CG ASP X 46 17.853 11.515 4.008 1.00 0.00 C ATOM 700 OD1 ASP X 46 17.974 12.721 3.863 1.00 0.00 O ATOM 701 OD2 ASP X 46 17.784 10.721 3.085 1.00 0.00 O ATOM 0 H ASP X 46 19.731 9.197 6.173 1.00 0.00 H new ATOM 0 HA ASP X 46 19.554 12.136 5.797 1.00 0.00 H new ATOM 0 HB2 ASP X 46 17.555 9.902 5.408 1.00 0.00 H new ATOM 0 HB3 ASP X 46 16.975 11.455 5.976 1.00 0.00 H new ATOM 706 N ASP X 47 19.232 12.450 8.223 1.00 0.00 N ATOM 707 CA ASP X 47 19.052 12.665 9.653 1.00 0.00 C ATOM 708 C ASP X 47 17.592 12.966 9.969 1.00 0.00 C ATOM 709 O ASP X 47 17.099 12.650 11.051 1.00 0.00 O ATOM 710 CB ASP X 47 19.922 13.837 10.112 1.00 0.00 C ATOM 711 CG ASP X 47 19.258 15.157 9.736 1.00 0.00 C ATOM 712 OD1 ASP X 47 19.138 15.421 8.550 1.00 0.00 O ATOM 713 OD2 ASP X 47 18.877 15.884 10.639 1.00 0.00 O ATOM 0 H ASP X 47 19.645 13.238 7.723 1.00 0.00 H new ATOM 0 HA ASP X 47 19.348 11.758 10.180 1.00 0.00 H new ATOM 0 HB2 ASP X 47 20.071 13.790 11.191 1.00 0.00 H new ATOM 0 HB3 ASP X 47 20.908 13.772 9.651 1.00 0.00 H new ATOM 718 N ALA X 48 16.909 13.585 9.012 1.00 0.00 N ATOM 719 CA ALA X 48 15.505 13.934 9.188 1.00 0.00 C ATOM 720 C ALA X 48 14.614 12.719 8.958 1.00 0.00 C ATOM 721 O ALA X 48 13.566 12.578 9.588 1.00 0.00 O ATOM 722 CB ALA X 48 15.119 15.044 8.207 1.00 0.00 C ATOM 0 H ALA X 48 17.303 13.854 8.111 1.00 0.00 H new ATOM 0 HA ALA X 48 15.363 14.283 10.211 1.00 0.00 H new ATOM 0 HB1 ALA X 48 14.068 15.301 8.343 1.00 0.00 H new ATOM 0 HB2 ALA X 48 15.735 15.924 8.393 1.00 0.00 H new ATOM 0 HB3 ALA X 48 15.279 14.699 7.186 1.00 0.00 H new ATOM 728 N THR X 49 15.035 11.848 8.048 1.00 0.00 N ATOM 729 CA THR X 49 14.261 10.652 7.740 1.00 0.00 C ATOM 730 C THR X 49 14.862 9.426 8.416 1.00 0.00 C ATOM 731 O THR X 49 14.348 8.316 8.275 1.00 0.00 O ATOM 732 CB THR X 49 14.219 10.431 6.230 1.00 0.00 C ATOM 733 OG1 THR X 49 15.410 9.779 5.814 1.00 0.00 O ATOM 734 CG2 THR X 49 14.096 11.780 5.518 1.00 0.00 C ATOM 0 H THR X 49 15.899 11.946 7.515 1.00 0.00 H new ATOM 0 HA THR X 49 13.249 10.797 8.117 1.00 0.00 H new ATOM 0 HB THR X 49 13.359 9.810 5.977 1.00 0.00 H new ATOM 0 HG1 THR X 49 15.539 9.916 4.852 1.00 0.00 H new ATOM 0 HG21 THR X 49 14.066 11.621 4.440 1.00 0.00 H new ATOM 0 HG22 THR X 49 13.180 12.278 5.837 1.00 0.00 H new ATOM 0 HG23 THR X 49 14.954 12.404 5.769 1.00 0.00 H new ATOM 742 N LYS X 50 15.955 9.631 9.145 1.00 0.00 N ATOM 743 CA LYS X 50 16.617 8.530 9.837 1.00 0.00 C ATOM 744 C LYS X 50 16.563 7.259 9.003 1.00 0.00 C ATOM 745 O LYS X 50 16.432 6.157 9.538 1.00 0.00 O ATOM 746 CB LYS X 50 15.943 8.280 11.186 1.00 0.00 C ATOM 747 CG LYS X 50 14.467 8.673 11.100 1.00 0.00 C ATOM 748 CD LYS X 50 13.817 8.513 12.470 1.00 0.00 C ATOM 749 CE LYS X 50 12.660 9.504 12.603 1.00 0.00 C ATOM 750 NZ LYS X 50 13.202 10.874 12.833 1.00 0.00 N ATOM 0 H LYS X 50 16.398 10.541 9.271 1.00 0.00 H new ATOM 0 HA LYS X 50 17.660 8.804 9.994 1.00 0.00 H new ATOM 0 HB2 LYS X 50 16.035 7.229 11.461 1.00 0.00 H new ATOM 0 HB3 LYS X 50 16.439 8.858 11.965 1.00 0.00 H new ATOM 0 HG2 LYS X 50 14.374 9.704 10.760 1.00 0.00 H new ATOM 0 HG3 LYS X 50 13.955 8.048 10.368 1.00 0.00 H new ATOM 0 HD2 LYS X 50 13.453 7.493 12.595 1.00 0.00 H new ATOM 0 HD3 LYS X 50 14.552 8.688 13.256 1.00 0.00 H new ATOM 0 HE2 LYS X 50 12.050 9.490 11.700 1.00 0.00 H new ATOM 0 HE3 LYS X 50 12.012 9.214 13.430 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 12.474 11.464 13.283 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 14.035 10.818 13.453 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 13.476 11.296 11.923 1.00 0.00 H new ATOM 764 N THR X 51 16.666 7.416 7.691 1.00 0.00 N ATOM 765 CA THR X 51 16.630 6.274 6.791 1.00 0.00 C ATOM 766 C THR X 51 17.972 6.118 6.086 1.00 0.00 C ATOM 767 O THR X 51 18.574 7.099 5.649 1.00 0.00 O ATOM 768 CB THR X 51 15.520 6.463 5.757 1.00 0.00 C ATOM 769 OG1 THR X 51 14.257 6.274 6.380 1.00 0.00 O ATOM 770 CG2 THR X 51 15.693 5.443 4.629 1.00 0.00 C ATOM 0 H THR X 51 16.775 8.319 7.228 1.00 0.00 H new ATOM 0 HA THR X 51 16.430 5.374 7.372 1.00 0.00 H new ATOM 0 HB THR X 51 15.574 7.470 5.345 1.00 0.00 H new ATOM 0 HG1 THR X 51 14.141 6.938 7.092 1.00 0.00 H new ATOM 0 HG21 THR X 51 14.901 5.578 3.892 1.00 0.00 H new ATOM 0 HG22 THR X 51 16.662 5.589 4.152 1.00 0.00 H new ATOM 0 HG23 THR X 51 15.639 4.434 5.039 1.00 0.00 H new ATOM 778 N PHE X 52 18.441 4.879 5.982 1.00 0.00 N ATOM 779 CA PHE X 52 19.719 4.606 5.334 1.00 0.00 C ATOM 780 C PHE X 52 19.523 3.704 4.119 1.00 0.00 C ATOM 781 O PHE X 52 18.844 2.684 4.200 1.00 0.00 O ATOM 782 CB PHE X 52 20.657 3.922 6.332 1.00 0.00 C ATOM 783 CG PHE X 52 21.105 4.922 7.370 1.00 0.00 C ATOM 784 CD1 PHE X 52 20.352 5.103 8.537 1.00 0.00 C ATOM 785 CD2 PHE X 52 22.275 5.664 7.170 1.00 0.00 C ATOM 786 CE1 PHE X 52 20.769 6.028 9.502 1.00 0.00 C ATOM 787 CE2 PHE X 52 22.693 6.587 8.136 1.00 0.00 C ATOM 788 CZ PHE X 52 21.940 6.769 9.302 1.00 0.00 C ATOM 0 H PHE X 52 17.959 4.053 6.336 1.00 0.00 H new ATOM 0 HA PHE X 52 20.153 5.549 5.002 1.00 0.00 H new ATOM 0 HB2 PHE X 52 20.147 3.087 6.813 1.00 0.00 H new ATOM 0 HB3 PHE X 52 21.522 3.511 5.811 1.00 0.00 H new ATOM 0 HD1 PHE X 52 19.450 4.529 8.693 1.00 0.00 H new ATOM 0 HD2 PHE X 52 22.855 5.524 6.270 1.00 0.00 H new ATOM 0 HE1 PHE X 52 20.187 6.170 10.401 1.00 0.00 H new ATOM 0 HE2 PHE X 52 23.596 7.159 7.982 1.00 0.00 H new ATOM 0 HZ PHE X 52 22.262 7.481 10.047 1.00 0.00 H new ATOM 798 N THR X 53 20.112 4.093 2.993 1.00 0.00 N ATOM 799 CA THR X 53 19.985 3.315 1.763 1.00 0.00 C ATOM 800 C THR X 53 21.258 3.417 0.927 1.00 0.00 C ATOM 801 O THR X 53 22.045 4.348 1.093 1.00 0.00 O ATOM 802 CB THR X 53 18.804 3.841 0.944 1.00 0.00 C ATOM 803 OG1 THR X 53 18.951 5.240 0.748 1.00 0.00 O ATOM 804 CG2 THR X 53 17.499 3.563 1.691 1.00 0.00 C ATOM 0 H THR X 53 20.679 4.937 2.905 1.00 0.00 H new ATOM 0 HA THR X 53 19.820 2.271 2.030 1.00 0.00 H new ATOM 0 HB THR X 53 18.780 3.339 -0.023 1.00 0.00 H new ATOM 0 HG1 THR X 53 18.196 5.578 0.222 1.00 0.00 H new ATOM 0 HG21 THR X 53 16.658 3.938 1.107 1.00 0.00 H new ATOM 0 HG22 THR X 53 17.387 2.489 1.840 1.00 0.00 H new ATOM 0 HG23 THR X 53 17.520 4.064 2.659 1.00 0.00 H new ATOM 812 N VAL X 54 21.450 2.463 0.021 1.00 0.00 N ATOM 813 CA VAL X 54 22.628 2.470 -0.844 1.00 0.00 C ATOM 814 C VAL X 54 22.206 2.366 -2.303 1.00 0.00 C ATOM 815 O VAL X 54 21.442 1.476 -2.674 1.00 0.00 O ATOM 816 CB VAL X 54 23.549 1.301 -0.496 1.00 0.00 C ATOM 817 CG1 VAL X 54 24.988 1.646 -0.888 1.00 0.00 C ATOM 818 CG2 VAL X 54 23.480 1.031 1.008 1.00 0.00 C ATOM 0 H VAL X 54 20.813 1.682 -0.134 1.00 0.00 H new ATOM 0 HA VAL X 54 23.165 3.406 -0.689 1.00 0.00 H new ATOM 0 HB VAL X 54 23.230 0.413 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL X 54 25.643 0.811 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL X 54 25.037 1.839 -1.960 1.00 0.00 H new ATOM 0 HG13 VAL X 54 25.310 2.534 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL X 54 24.136 0.197 1.259 1.00 0.00 H new ATOM 0 HG22 VAL X 54 23.799 1.920 1.552 1.00 0.00 H new ATOM 0 HG23 VAL X 54 22.456 0.783 1.286 1.00 0.00 H new ATOM 828 N THR X 55 22.703 3.275 -3.127 1.00 0.00 N ATOM 829 CA THR X 55 22.365 3.267 -4.540 1.00 0.00 C ATOM 830 C THR X 55 23.630 3.233 -5.388 1.00 0.00 C ATOM 831 O THR X 55 24.541 4.037 -5.188 1.00 0.00 O ATOM 832 CB THR X 55 21.551 4.515 -4.879 1.00 0.00 C ATOM 833 OG1 THR X 55 20.639 4.783 -3.824 1.00 0.00 O ATOM 834 CG2 THR X 55 20.778 4.285 -6.179 1.00 0.00 C ATOM 0 H THR X 55 23.337 4.022 -2.844 1.00 0.00 H new ATOM 0 HA THR X 55 21.775 2.377 -4.756 1.00 0.00 H new ATOM 0 HB THR X 55 22.222 5.365 -5.005 1.00 0.00 H new ATOM 0 HG1 THR X 55 20.117 5.584 -4.038 1.00 0.00 H new ATOM 0 HG21 THR X 55 20.198 5.176 -6.420 1.00 0.00 H new ATOM 0 HG22 THR X 55 21.479 4.079 -6.988 1.00 0.00 H new ATOM 0 HG23 THR X 55 20.105 3.436 -6.057 1.00 0.00 H new ATOM 842 N GLU X 56 23.684 2.302 -6.332 1.00 0.00 N ATOM 843 CA GLU X 56 24.849 2.183 -7.199 1.00 0.00 C ATOM 844 C GLU X 56 24.536 2.726 -8.590 1.00 0.00 C ATOM 845 O GLU X 56 25.346 3.479 -9.106 1.00 0.00 O ATOM 846 CB GLU X 56 25.275 0.717 -7.303 1.00 0.00 C ATOM 847 CG GLU X 56 24.304 -0.156 -6.505 1.00 0.00 C ATOM 848 CD GLU X 56 24.611 -1.630 -6.744 1.00 0.00 C ATOM 849 OE1 GLU X 56 25.091 -1.948 -7.820 1.00 0.00 O ATOM 850 OE2 GLU X 56 24.362 -2.420 -5.848 1.00 0.00 O ATOM 851 OXT GLU X 56 23.494 2.379 -9.119 1.00 0.00 O ATOM 0 H GLU X 56 22.943 1.625 -6.516 1.00 0.00 H new ATOM 0 HA GLU X 56 25.663 2.766 -6.768 1.00 0.00 H new ATOM 0 HB2 GLU X 56 25.287 0.404 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU X 56 26.289 0.594 -6.921 1.00 0.00 H new ATOM 0 HG2 GLU X 56 24.385 0.073 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.278 0.063 -6.801 1.00 0.00 H new TER 858 GLU X 56