USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 420 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 THR OG1 : rot 155:sc= 0.758 USER MOD Set 1.2: A 33 TYR OH : rot 15:sc= 0.222 USER MOD Set 2.1: A 8 ASN : amide:sc= -0.781 K(o=-8.7,f=-22!) USER MOD Set 2.2: A 13 LYS NZ :NH3+ 175:sc= -7.9! (180deg=-8.45!) USER MOD Set 3.1: A 1 MET CE :methyl -151:sc= -7.28! (180deg=-11!) USER MOD Set 3.2: A 3 TYR OH : rot 15:sc= -2.26 USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.319 (180deg=0.3) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -176:sc= -1.33! (180deg=-1.6) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 17 THR OG1 : rot 31:sc= 0.316 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -79:sc= -3.34! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= -0.0363 (180deg=-0.272) USER MOD Single : A 32 GLN :FLIP amide:sc= 0.00607 F(o=-1.4!,f=0.0061) USER MOD Single : A 35 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.081) USER MOD Single : A 37 ASN : amide:sc= -3.55! C(o=-3.5!,f=-4.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0423 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.371 USER MOD Single : A 49 THR OG1 : rot -133:sc= -0.723 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -3.45! USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.547 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.383 28.102 26.198 1.00 1.00 N ATOM 2 CA MET A 1 0.396 28.184 24.930 1.00 1.00 C ATOM 3 C MET A 1 -0.129 27.116 23.963 1.00 1.00 C ATOM 4 O MET A 1 -0.525 26.031 24.388 1.00 1.00 O ATOM 5 CB MET A 1 1.891 27.978 25.257 1.00 1.00 C ATOM 6 CG MET A 1 2.750 28.948 24.437 1.00 1.00 C ATOM 7 SD MET A 1 2.360 28.748 22.683 1.00 1.00 S ATOM 8 CE MET A 1 2.896 27.027 22.545 1.00 1.00 C ATOM 0 H1 MET A 1 -0.108 28.885 26.825 1.00 1.00 H new ATOM 0 H2 MET A 1 -1.399 28.168 25.986 1.00 1.00 H new ATOM 0 H3 MET A 1 -0.186 27.196 26.669 1.00 1.00 H new ATOM 0 HA MET A 1 0.282 29.158 24.455 1.00 1.00 H new ATOM 0 HB2 MET A 1 2.064 28.138 26.321 1.00 1.00 H new ATOM 0 HB3 MET A 1 2.181 26.950 25.038 1.00 1.00 H new ATOM 0 HG2 MET A 1 2.560 29.975 24.750 1.00 1.00 H new ATOM 0 HG3 MET A 1 3.808 28.753 24.611 1.00 1.00 H new ATOM 0 HE1 MET A 1 3.237 26.832 21.528 1.00 1.00 H new ATOM 0 HE2 MET A 1 3.713 26.843 23.243 1.00 1.00 H new ATOM 0 HE3 MET A 1 2.062 26.366 22.781 1.00 1.00 H new ATOM 20 N GLN A 2 -0.182 27.449 22.672 1.00 1.00 N ATOM 21 CA GLN A 2 -0.736 26.527 21.674 1.00 1.00 C ATOM 22 C GLN A 2 0.324 25.889 20.773 1.00 1.00 C ATOM 23 O GLN A 2 1.165 26.566 20.184 1.00 1.00 O ATOM 24 CB GLN A 2 -1.745 27.280 20.814 1.00 1.00 C ATOM 25 CG GLN A 2 -2.545 26.279 19.991 1.00 1.00 C ATOM 26 CD GLN A 2 -3.602 27.009 19.164 1.00 1.00 C ATOM 27 OE1 GLN A 2 -3.265 27.788 18.273 1.00 1.00 O ATOM 28 NE2 GLN A 2 -4.870 26.812 19.423 1.00 1.00 N ATOM 0 H GLN A 2 0.147 28.338 22.295 1.00 1.00 H new ATOM 0 HA GLN A 2 -1.208 25.711 22.221 1.00 1.00 H new ATOM 0 HB2 GLN A 2 -2.413 27.867 21.445 1.00 1.00 H new ATOM 0 HB3 GLN A 2 -1.230 27.981 20.157 1.00 1.00 H new ATOM 0 HG2 GLN A 2 -1.878 25.721 19.333 1.00 1.00 H new ATOM 0 HG3 GLN A 2 -3.023 25.554 20.650 1.00 1.00 H new ATOM 0 HE21 GLN A 2 -5.145 26.165 20.162 1.00 1.00 H new ATOM 0 HE22 GLN A 2 -5.583 27.305 18.885 1.00 1.00 H new ATOM 37 N TYR A 3 0.230 24.557 20.670 1.00 1.00 N ATOM 38 CA TYR A 3 1.128 23.752 19.837 1.00 1.00 C ATOM 39 C TYR A 3 0.329 23.055 18.757 1.00 1.00 C ATOM 40 O TYR A 3 -0.883 22.875 18.896 1.00 1.00 O ATOM 41 CB TYR A 3 1.832 22.693 20.675 1.00 1.00 C ATOM 42 CG TYR A 3 2.323 23.330 21.928 1.00 1.00 C ATOM 43 CD1 TYR A 3 1.418 23.578 22.960 1.00 1.00 C ATOM 44 CD2 TYR A 3 3.666 23.685 22.061 1.00 1.00 C ATOM 45 CE1 TYR A 3 1.856 24.182 24.130 1.00 1.00 C ATOM 46 CE2 TYR A 3 4.102 24.292 23.233 1.00 1.00 C ATOM 47 CZ TYR A 3 3.194 24.540 24.265 1.00 1.00 C ATOM 48 OH TYR A 3 3.623 25.148 25.418 1.00 1.00 O ATOM 0 H TYR A 3 -0.473 24.007 21.164 1.00 1.00 H new ATOM 0 HA TYR A 3 1.870 24.416 19.394 1.00 1.00 H new ATOM 0 HB2 TYR A 3 1.147 21.878 20.908 1.00 1.00 H new ATOM 0 HB3 TYR A 3 2.664 22.261 20.119 1.00 1.00 H new ATOM 0 HD1 TYR A 3 0.380 23.301 22.849 1.00 1.00 H new ATOM 0 HD2 TYR A 3 4.362 23.489 21.259 1.00 1.00 H new ATOM 0 HE1 TYR A 3 1.160 24.374 24.934 1.00 1.00 H new ATOM 0 HE2 TYR A 3 5.139 24.571 23.345 1.00 1.00 H new ATOM 0 HH TYR A 3 2.944 25.041 26.116 1.00 1.00 H new ATOM 58 N LYS A 4 0.999 22.649 17.680 1.00 1.00 N ATOM 59 CA LYS A 4 0.318 21.953 16.582 1.00 1.00 C ATOM 60 C LYS A 4 1.119 20.722 16.180 1.00 1.00 C ATOM 61 O LYS A 4 2.340 20.709 16.250 1.00 1.00 O ATOM 62 CB LYS A 4 0.147 22.907 15.379 1.00 1.00 C ATOM 63 CG LYS A 4 -1.109 22.535 14.568 1.00 1.00 C ATOM 64 CD LYS A 4 -1.355 23.602 13.496 1.00 1.00 C ATOM 65 CE LYS A 4 -2.700 23.346 12.816 1.00 1.00 C ATOM 66 NZ LYS A 4 -2.709 21.983 12.218 1.00 1.00 N ATOM 0 H LYS A 4 2.000 22.786 17.541 1.00 1.00 H new ATOM 0 HA LYS A 4 -0.670 21.635 16.913 1.00 1.00 H new ATOM 0 HB2 LYS A 4 0.068 23.935 15.732 1.00 1.00 H new ATOM 0 HB3 LYS A 4 1.028 22.856 14.739 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -0.979 21.558 14.102 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -1.973 22.460 15.228 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -1.348 24.594 13.948 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -0.553 23.582 12.758 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -3.509 23.441 13.541 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -2.876 24.094 12.043 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -3.598 21.838 11.699 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -1.906 21.886 11.564 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -2.629 21.272 12.973 1.00 1.00 H new ATOM 80 N LEU A 5 0.411 19.676 15.783 1.00 1.00 N ATOM 81 CA LEU A 5 1.045 18.422 15.391 1.00 1.00 C ATOM 82 C LEU A 5 0.826 18.175 13.900 1.00 1.00 C ATOM 83 O LEU A 5 -0.302 18.243 13.414 1.00 1.00 O ATOM 84 CB LEU A 5 0.400 17.278 16.190 1.00 1.00 C ATOM 85 CG LEU A 5 1.312 16.023 16.315 1.00 1.00 C ATOM 86 CD1 LEU A 5 0.439 14.796 16.628 1.00 1.00 C ATOM 87 CD2 LEU A 5 2.111 15.723 15.032 1.00 1.00 C ATOM 0 H LEU A 5 -0.607 19.669 15.723 1.00 1.00 H new ATOM 0 HA LEU A 5 2.115 18.472 15.593 1.00 1.00 H new ATOM 0 HB2 LEU A 5 0.150 17.637 17.188 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -0.536 16.992 15.710 1.00 1.00 H new ATOM 0 HG LEU A 5 2.025 16.232 17.112 1.00 1.00 H new ATOM 0 HD11 LEU A 5 1.071 13.913 16.717 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -0.093 14.957 17.566 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.281 14.647 15.823 1.00 1.00 H new ATOM 0 HD21 LEU A 5 2.726 14.837 15.186 1.00 1.00 H new ATOM 0 HD22 LEU A 5 1.421 15.547 14.206 1.00 1.00 H new ATOM 0 HD23 LEU A 5 2.751 16.573 14.795 1.00 1.00 H new ATOM 99 N ILE A 6 1.896 17.828 13.193 1.00 1.00 N ATOM 100 CA ILE A 6 1.790 17.498 11.759 1.00 1.00 C ATOM 101 C ILE A 6 1.911 16.002 11.605 1.00 1.00 C ATOM 102 O ILE A 6 2.826 15.385 12.141 1.00 1.00 O ATOM 103 CB ILE A 6 2.891 18.155 10.950 1.00 1.00 C ATOM 104 CG1 ILE A 6 2.838 19.667 11.152 1.00 1.00 C ATOM 105 CG2 ILE A 6 2.726 17.811 9.466 1.00 1.00 C ATOM 106 CD1 ILE A 6 1.456 20.230 10.784 1.00 1.00 C ATOM 0 H ILE A 6 2.840 17.766 13.575 1.00 1.00 H new ATOM 0 HA ILE A 6 0.831 17.863 11.392 1.00 1.00 H new ATOM 0 HB ILE A 6 3.859 17.784 11.287 1.00 1.00 H new ATOM 0 HG12 ILE A 6 3.066 19.906 12.191 1.00 1.00 H new ATOM 0 HG13 ILE A 6 3.603 20.145 10.540 1.00 1.00 H new ATOM 0 HG21 ILE A 6 3.521 18.287 8.892 1.00 1.00 H new ATOM 0 HG22 ILE A 6 2.781 16.730 9.335 1.00 1.00 H new ATOM 0 HG23 ILE A 6 1.759 18.171 9.114 1.00 1.00 H new ATOM 0 HD11 ILE A 6 1.450 21.309 10.938 1.00 1.00 H new ATOM 0 HD12 ILE A 6 1.241 20.012 9.738 1.00 1.00 H new ATOM 0 HD13 ILE A 6 0.696 19.769 11.414 1.00 1.00 H new ATOM 118 N LEU A 7 0.955 15.400 10.921 1.00 1.00 N ATOM 119 CA LEU A 7 0.945 13.962 10.764 1.00 1.00 C ATOM 120 C LEU A 7 1.287 13.493 9.369 1.00 1.00 C ATOM 121 O LEU A 7 0.591 13.805 8.402 1.00 1.00 O ATOM 122 CB LEU A 7 -0.453 13.476 11.124 1.00 1.00 C ATOM 123 CG LEU A 7 -0.736 13.847 12.589 1.00 1.00 C ATOM 124 CD1 LEU A 7 -2.260 13.877 12.859 1.00 1.00 C ATOM 125 CD2 LEU A 7 -0.009 12.846 13.522 1.00 1.00 C ATOM 0 H LEU A 7 0.180 15.884 10.468 1.00 1.00 H new ATOM 0 HA LEU A 7 1.716 13.551 11.416 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -1.194 13.933 10.468 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -0.526 12.397 10.985 1.00 1.00 H new ATOM 0 HG LEU A 7 -0.354 14.847 12.792 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -2.440 14.141 13.901 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -2.730 14.617 12.211 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -2.685 12.894 12.656 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -0.208 13.107 14.561 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -0.371 11.837 13.326 1.00 1.00 H new ATOM 0 HD23 LEU A 7 1.064 12.889 13.336 1.00 1.00 H new ATOM 137 N ASN A 8 2.317 12.663 9.289 1.00 1.00 N ATOM 138 CA ASN A 8 2.728 12.045 8.043 1.00 1.00 C ATOM 139 C ASN A 8 2.813 10.543 8.303 1.00 1.00 C ATOM 140 O ASN A 8 3.874 9.938 8.168 1.00 1.00 O ATOM 141 CB ASN A 8 4.086 12.589 7.609 1.00 1.00 C ATOM 142 CG ASN A 8 4.488 11.977 6.271 1.00 1.00 C ATOM 143 OD1 ASN A 8 3.859 11.022 5.814 1.00 1.00 O ATOM 144 ND2 ASN A 8 5.502 12.467 5.612 1.00 1.00 N ATOM 0 H ASN A 8 2.891 12.400 10.090 1.00 1.00 H new ATOM 0 HA ASN A 8 2.018 12.261 7.244 1.00 1.00 H new ATOM 0 HB2 ASN A 8 4.042 13.675 7.523 1.00 1.00 H new ATOM 0 HB3 ASN A 8 4.838 12.359 8.364 1.00 1.00 H new ATOM 0 HD21 ASN A 8 5.774 12.059 4.718 1.00 1.00 H new ATOM 0 HD22 ASN A 8 6.022 13.258 5.991 1.00 1.00 H new ATOM 151 N GLY A 9 1.688 9.946 8.707 1.00 1.00 N ATOM 152 CA GLY A 9 1.665 8.519 9.022 1.00 1.00 C ATOM 153 C GLY A 9 1.191 7.674 7.858 1.00 1.00 C ATOM 154 O GLY A 9 0.495 8.152 6.962 1.00 1.00 O ATOM 0 H GLY A 9 0.794 10.423 8.822 1.00 1.00 H new ATOM 0 HA2 GLY A 9 2.665 8.199 9.315 1.00 1.00 H new ATOM 0 HA3 GLY A 9 1.012 8.350 9.879 1.00 1.00 H new ATOM 158 N LYS A 10 1.587 6.408 7.879 1.00 1.00 N ATOM 159 CA LYS A 10 1.202 5.502 6.796 1.00 1.00 C ATOM 160 C LYS A 10 -0.273 5.131 6.905 1.00 1.00 C ATOM 161 O LYS A 10 -0.923 4.847 5.900 1.00 1.00 O ATOM 162 CB LYS A 10 2.073 4.240 6.814 1.00 1.00 C ATOM 163 CG LYS A 10 1.964 3.554 8.175 1.00 1.00 C ATOM 164 CD LYS A 10 2.928 2.370 8.236 1.00 1.00 C ATOM 165 CE LYS A 10 2.825 1.709 9.611 1.00 1.00 C ATOM 166 NZ LYS A 10 3.731 0.526 9.671 1.00 1.00 N ATOM 0 H LYS A 10 2.160 5.990 8.612 1.00 1.00 H new ATOM 0 HA LYS A 10 1.359 6.017 5.848 1.00 1.00 H new ATOM 0 HB2 LYS A 10 1.756 3.557 6.026 1.00 1.00 H new ATOM 0 HB3 LYS A 10 3.112 4.501 6.610 1.00 1.00 H new ATOM 0 HG2 LYS A 10 2.194 4.264 8.970 1.00 1.00 H new ATOM 0 HG3 LYS A 10 0.942 3.212 8.339 1.00 1.00 H new ATOM 0 HD2 LYS A 10 2.688 1.650 7.454 1.00 1.00 H new ATOM 0 HD3 LYS A 10 3.949 2.707 8.057 1.00 1.00 H new ATOM 0 HE2 LYS A 10 3.093 2.424 10.389 1.00 1.00 H new ATOM 0 HE3 LYS A 10 1.797 1.401 9.801 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 3.658 0.080 10.608 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 3.456 -0.159 8.939 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 4.712 0.831 9.509 1.00 1.00 H new ATOM 180 N THR A 11 -0.802 5.139 8.130 1.00 1.00 N ATOM 181 CA THR A 11 -2.210 4.810 8.362 1.00 1.00 C ATOM 182 C THR A 11 -2.978 6.042 8.834 1.00 1.00 C ATOM 183 O THR A 11 -4.204 6.093 8.737 1.00 1.00 O ATOM 184 CB THR A 11 -2.306 3.714 9.434 1.00 1.00 C ATOM 185 OG1 THR A 11 -1.381 4.002 10.473 1.00 1.00 O ATOM 186 CG2 THR A 11 -1.981 2.346 8.820 1.00 1.00 C ATOM 0 H THR A 11 -0.279 5.369 8.975 1.00 1.00 H new ATOM 0 HA THR A 11 -2.646 4.459 7.427 1.00 1.00 H new ATOM 0 HB THR A 11 -3.319 3.687 9.835 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.437 3.308 11.163 1.00 1.00 H new ATOM 0 HG21 THR A 11 -2.052 1.576 9.588 1.00 1.00 H new ATOM 0 HG22 THR A 11 -2.690 2.128 8.021 1.00 1.00 H new ATOM 0 HG23 THR A 11 -0.970 2.361 8.413 1.00 1.00 H new ATOM 194 N LEU A 12 -2.251 7.028 9.366 1.00 1.00 N ATOM 195 CA LEU A 12 -2.872 8.247 9.871 1.00 1.00 C ATOM 196 C LEU A 12 -2.144 9.477 9.336 1.00 1.00 C ATOM 197 O LEU A 12 -0.932 9.616 9.501 1.00 1.00 O ATOM 198 CB LEU A 12 -2.847 8.198 11.398 1.00 1.00 C ATOM 199 CG LEU A 12 -3.441 9.488 11.992 1.00 1.00 C ATOM 200 CD1 LEU A 12 -3.915 9.228 13.446 1.00 1.00 C ATOM 201 CD2 LEU A 12 -2.397 10.637 11.945 1.00 1.00 C ATOM 0 H LEU A 12 -1.235 7.003 9.456 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.905 8.317 9.531 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.414 7.335 11.749 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -1.822 8.069 11.746 1.00 1.00 H new ATOM 0 HG LEU A 12 -4.302 9.792 11.396 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -4.334 10.144 13.861 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -4.676 8.448 13.447 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -3.068 8.909 14.053 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.833 11.542 12.369 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -1.517 10.353 12.522 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -2.107 10.823 10.911 1.00 1.00 H new ATOM 213 N LYS A 13 -2.893 10.365 8.680 1.00 1.00 N ATOM 214 CA LYS A 13 -2.327 11.573 8.104 1.00 1.00 C ATOM 215 C LYS A 13 -3.197 12.797 8.412 1.00 1.00 C ATOM 216 O LYS A 13 -4.408 12.674 8.598 1.00 1.00 O ATOM 217 CB LYS A 13 -2.228 11.341 6.592 1.00 1.00 C ATOM 218 CG LYS A 13 -1.049 12.108 5.985 1.00 1.00 C ATOM 219 CD LYS A 13 -0.607 11.424 4.685 1.00 1.00 C ATOM 220 CE LYS A 13 0.190 10.132 4.961 1.00 1.00 C ATOM 221 NZ LYS A 13 1.114 10.327 6.117 1.00 1.00 N ATOM 0 H LYS A 13 -3.898 10.264 8.537 1.00 1.00 H new ATOM 0 HA LYS A 13 -1.345 11.776 8.532 1.00 1.00 H new ATOM 0 HB2 LYS A 13 -2.112 10.276 6.393 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -3.155 11.656 6.113 1.00 1.00 H new ATOM 0 HG2 LYS A 13 -1.337 13.140 5.785 1.00 1.00 H new ATOM 0 HG3 LYS A 13 -0.220 12.140 6.692 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -1.484 11.189 4.082 1.00 1.00 H new ATOM 0 HD3 LYS A 13 0.006 12.112 4.102 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -0.496 9.312 5.170 1.00 1.00 H new ATOM 0 HE3 LYS A 13 0.760 9.853 4.075 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 1.581 9.426 6.344 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 1.833 11.037 5.871 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 0.573 10.654 6.943 1.00 1.00 H new ATOM 235 N GLY A 14 -2.575 13.980 8.442 1.00 1.00 N ATOM 236 CA GLY A 14 -3.303 15.225 8.704 1.00 1.00 C ATOM 237 C GLY A 14 -2.583 16.084 9.743 1.00 1.00 C ATOM 238 O GLY A 14 -1.355 16.143 9.775 1.00 1.00 O ATOM 0 H GLY A 14 -1.574 14.101 8.289 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -3.411 15.787 7.776 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -4.309 14.993 9.055 1.00 1.00 H new ATOM 242 N GLU A 15 -3.360 16.777 10.579 1.00 1.00 N ATOM 243 CA GLU A 15 -2.797 17.642 11.605 1.00 1.00 C ATOM 244 C GLU A 15 -3.686 17.643 12.844 1.00 1.00 C ATOM 245 O GLU A 15 -4.866 17.298 12.774 1.00 1.00 O ATOM 246 CB GLU A 15 -2.668 19.061 11.072 1.00 1.00 C ATOM 247 CG GLU A 15 -1.852 19.026 9.785 1.00 1.00 C ATOM 248 CD GLU A 15 -1.537 20.436 9.331 1.00 1.00 C ATOM 249 OE1 GLU A 15 -1.858 21.360 10.057 1.00 1.00 O ATOM 250 OE2 GLU A 15 -0.968 20.578 8.261 1.00 1.00 O ATOM 0 H GLU A 15 -4.380 16.752 10.561 1.00 1.00 H new ATOM 0 HA GLU A 15 -1.811 17.264 11.876 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -3.654 19.485 10.883 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -2.183 19.700 11.810 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -0.927 18.472 9.946 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -2.407 18.500 9.008 1.00 1.00 H new ATOM 257 N THR A 16 -3.102 18.018 13.974 1.00 1.00 N ATOM 258 CA THR A 16 -3.824 18.054 15.249 1.00 1.00 C ATOM 259 C THR A 16 -3.299 19.223 16.098 1.00 1.00 C ATOM 260 O THR A 16 -2.133 19.588 15.987 1.00 1.00 O ATOM 261 CB THR A 16 -3.635 16.695 15.960 1.00 1.00 C ATOM 262 OG1 THR A 16 -4.701 15.828 15.599 1.00 1.00 O ATOM 263 CG2 THR A 16 -3.614 16.851 17.482 1.00 1.00 C ATOM 0 H THR A 16 -2.125 18.304 14.039 1.00 1.00 H new ATOM 0 HA THR A 16 -4.890 18.214 15.090 1.00 1.00 H new ATOM 0 HB THR A 16 -2.677 16.281 15.647 1.00 1.00 H new ATOM 0 HG1 THR A 16 -4.410 14.897 15.690 1.00 1.00 H new ATOM 0 HG21 THR A 16 -3.479 15.874 17.946 1.00 1.00 H new ATOM 0 HG22 THR A 16 -2.791 17.506 17.769 1.00 1.00 H new ATOM 0 HG23 THR A 16 -4.556 17.285 17.816 1.00 1.00 H new ATOM 271 N THR A 17 -4.164 19.812 16.936 1.00 1.00 N ATOM 272 CA THR A 17 -3.751 20.947 17.783 1.00 1.00 C ATOM 273 C THR A 17 -4.181 20.775 19.241 1.00 1.00 C ATOM 274 O THR A 17 -5.276 20.293 19.532 1.00 1.00 O ATOM 275 CB THR A 17 -4.335 22.254 17.239 1.00 1.00 C ATOM 276 OG1 THR A 17 -3.756 23.350 17.934 1.00 1.00 O ATOM 277 CG2 THR A 17 -5.852 22.269 17.445 1.00 1.00 C ATOM 0 H THR A 17 -5.138 19.530 17.047 1.00 1.00 H new ATOM 0 HA THR A 17 -2.662 20.980 17.756 1.00 1.00 H new ATOM 0 HB THR A 17 -4.115 22.333 16.174 1.00 1.00 H new ATOM 0 HG1 THR A 17 -2.844 23.119 18.208 1.00 1.00 H new ATOM 0 HG21 THR A 17 -6.263 23.201 17.056 1.00 1.00 H new ATOM 0 HG22 THR A 17 -6.299 21.427 16.917 1.00 1.00 H new ATOM 0 HG23 THR A 17 -6.076 22.190 18.509 1.00 1.00 H new ATOM 285 N THR A 18 -3.294 21.190 20.155 1.00 1.00 N ATOM 286 CA THR A 18 -3.559 21.107 21.592 1.00 1.00 C ATOM 287 C THR A 18 -2.863 22.243 22.326 1.00 1.00 C ATOM 288 O THR A 18 -1.810 22.713 21.894 1.00 1.00 O ATOM 289 CB THR A 18 -3.077 19.769 22.153 1.00 1.00 C ATOM 290 OG1 THR A 18 -3.790 19.487 23.348 1.00 1.00 O ATOM 291 CG2 THR A 18 -1.573 19.812 22.462 1.00 1.00 C ATOM 0 H THR A 18 -2.384 21.588 19.921 1.00 1.00 H new ATOM 0 HA THR A 18 -4.636 21.188 21.741 1.00 1.00 H new ATOM 0 HB THR A 18 -3.255 18.993 21.409 1.00 1.00 H new ATOM 0 HG1 THR A 18 -3.489 18.629 23.714 1.00 1.00 H new ATOM 0 HG21 THR A 18 -1.256 18.848 22.860 1.00 1.00 H new ATOM 0 HG22 THR A 18 -1.020 20.027 21.548 1.00 1.00 H new ATOM 0 HG23 THR A 18 -1.375 20.591 23.198 1.00 1.00 H new ATOM 299 N GLU A 19 -3.432 22.664 23.446 1.00 1.00 N ATOM 300 CA GLU A 19 -2.829 23.724 24.240 1.00 1.00 C ATOM 301 C GLU A 19 -2.146 23.109 25.449 1.00 1.00 C ATOM 302 O GLU A 19 -2.678 22.199 26.085 1.00 1.00 O ATOM 303 CB GLU A 19 -3.896 24.739 24.662 1.00 1.00 C ATOM 304 CG GLU A 19 -3.251 26.110 24.867 1.00 1.00 C ATOM 305 CD GLU A 19 -4.318 27.130 25.249 1.00 1.00 C ATOM 306 OE1 GLU A 19 -5.444 26.721 25.478 1.00 1.00 O ATOM 307 OE2 GLU A 19 -3.994 28.303 25.305 1.00 1.00 O ATOM 0 H GLU A 19 -4.303 22.291 23.823 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.084 24.255 23.647 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.673 24.802 23.900 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -4.379 24.412 25.583 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -2.493 26.053 25.648 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -2.745 26.424 23.954 1.00 1.00 H new ATOM 314 N ALA A 20 -0.951 23.599 25.735 1.00 1.00 N ATOM 315 CA ALA A 20 -0.153 23.093 26.847 1.00 1.00 C ATOM 316 C ALA A 20 0.571 24.230 27.555 1.00 1.00 C ATOM 317 O ALA A 20 0.701 25.335 27.027 1.00 1.00 O ATOM 318 CB ALA A 20 0.854 22.044 26.340 1.00 1.00 C ATOM 0 H ALA A 20 -0.507 24.352 25.210 1.00 1.00 H new ATOM 0 HA ALA A 20 -0.822 22.620 27.566 1.00 1.00 H new ATOM 0 HB1 ALA A 20 1.445 21.672 27.177 1.00 1.00 H new ATOM 0 HB2 ALA A 20 0.316 21.215 25.880 1.00 1.00 H new ATOM 0 HB3 ALA A 20 1.515 22.501 25.604 1.00 1.00 H new ATOM 324 N VAL A 21 1.058 23.937 28.749 1.00 1.00 N ATOM 325 CA VAL A 21 1.793 24.916 29.522 1.00 1.00 C ATOM 326 C VAL A 21 3.124 25.163 28.832 1.00 1.00 C ATOM 327 O VAL A 21 3.600 26.293 28.741 1.00 1.00 O ATOM 328 CB VAL A 21 1.999 24.402 30.953 1.00 1.00 C ATOM 329 CG1 VAL A 21 2.283 22.900 30.926 1.00 1.00 C ATOM 330 CG2 VAL A 21 3.172 25.131 31.624 1.00 1.00 C ATOM 0 H VAL A 21 0.956 23.029 29.202 1.00 1.00 H new ATOM 0 HA VAL A 21 1.238 25.852 29.583 1.00 1.00 H new ATOM 0 HB VAL A 21 1.091 24.594 31.525 1.00 1.00 H new ATOM 0 HG11 VAL A 21 2.429 22.539 31.944 1.00 1.00 H new ATOM 0 HG12 VAL A 21 1.440 22.378 30.473 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.183 22.710 30.341 1.00 1.00 H new ATOM 0 HG21 VAL A 21 3.303 24.753 32.638 1.00 1.00 H new ATOM 0 HG22 VAL A 21 4.083 24.958 31.052 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.964 26.200 31.659 1.00 1.00 H new ATOM 340 N ASP A 22 3.711 24.078 28.356 1.00 1.00 N ATOM 341 CA ASP A 22 4.991 24.142 27.673 1.00 1.00 C ATOM 342 C ASP A 22 5.125 22.981 26.700 1.00 1.00 C ATOM 343 O ASP A 22 4.211 22.173 26.546 1.00 1.00 O ATOM 344 CB ASP A 22 6.122 24.069 28.703 1.00 1.00 C ATOM 345 CG ASP A 22 6.025 22.769 29.494 1.00 1.00 C ATOM 346 OD1 ASP A 22 5.272 21.902 29.082 1.00 1.00 O ATOM 347 OD2 ASP A 22 6.703 22.659 30.502 1.00 1.00 O ATOM 0 H ASP A 22 3.319 23.139 28.431 1.00 1.00 H new ATOM 0 HA ASP A 22 5.051 25.080 27.121 1.00 1.00 H new ATOM 0 HB2 ASP A 22 7.087 24.127 28.200 1.00 1.00 H new ATOM 0 HB3 ASP A 22 6.064 24.921 29.380 1.00 1.00 H new ATOM 352 N ALA A 23 6.281 22.894 26.050 1.00 1.00 N ATOM 353 CA ALA A 23 6.542 21.817 25.107 1.00 1.00 C ATOM 354 C ALA A 23 6.698 20.502 25.858 1.00 1.00 C ATOM 355 O ALA A 23 6.291 19.444 25.378 1.00 1.00 O ATOM 356 CB ALA A 23 7.808 22.120 24.308 1.00 1.00 C ATOM 0 H ALA A 23 7.049 23.556 26.160 1.00 1.00 H new ATOM 0 HA ALA A 23 5.703 21.734 24.417 1.00 1.00 H new ATOM 0 HB1 ALA A 23 7.997 21.309 23.604 1.00 1.00 H new ATOM 0 HB2 ALA A 23 7.678 23.053 23.760 1.00 1.00 H new ATOM 0 HB3 ALA A 23 8.654 22.214 24.989 1.00 1.00 H new ATOM 362 N ALA A 24 7.286 20.586 27.047 1.00 1.00 N ATOM 363 CA ALA A 24 7.489 19.405 27.876 1.00 1.00 C ATOM 364 C ALA A 24 6.169 18.645 28.026 1.00 1.00 C ATOM 365 O ALA A 24 6.154 17.425 28.138 1.00 1.00 O ATOM 366 CB ALA A 24 8.014 19.811 29.255 1.00 1.00 C ATOM 0 H ALA A 24 7.629 21.455 27.456 1.00 1.00 H new ATOM 0 HA ALA A 24 8.224 18.759 27.396 1.00 1.00 H new ATOM 0 HB1 ALA A 24 8.162 18.920 29.865 1.00 1.00 H new ATOM 0 HB2 ALA A 24 8.963 20.335 29.143 1.00 1.00 H new ATOM 0 HB3 ALA A 24 7.292 20.467 29.740 1.00 1.00 H new ATOM 372 N THR A 25 5.060 19.389 28.028 1.00 1.00 N ATOM 373 CA THR A 25 3.735 18.787 28.174 1.00 1.00 C ATOM 374 C THR A 25 3.174 18.400 26.806 1.00 1.00 C ATOM 375 O THR A 25 2.766 17.259 26.590 1.00 1.00 O ATOM 376 CB THR A 25 2.770 19.777 28.862 1.00 1.00 C ATOM 377 OG1 THR A 25 2.962 21.069 28.305 1.00 1.00 O ATOM 378 CG2 THR A 25 3.029 19.840 30.376 1.00 1.00 C ATOM 0 H THR A 25 5.054 20.404 27.931 1.00 1.00 H new ATOM 0 HA THR A 25 3.831 17.892 28.789 1.00 1.00 H new ATOM 0 HB THR A 25 1.747 19.436 28.700 1.00 1.00 H new ATOM 0 HG1 THR A 25 3.764 21.477 28.694 1.00 1.00 H new ATOM 0 HG21 THR A 25 2.335 20.545 30.835 1.00 1.00 H new ATOM 0 HG22 THR A 25 2.883 18.852 30.812 1.00 1.00 H new ATOM 0 HG23 THR A 25 4.052 20.169 30.557 1.00 1.00 H new ATOM 386 N ALA A 26 3.124 19.361 25.897 1.00 1.00 N ATOM 387 CA ALA A 26 2.580 19.102 24.569 1.00 1.00 C ATOM 388 C ALA A 26 3.283 17.920 23.889 1.00 1.00 C ATOM 389 O ALA A 26 2.650 17.148 23.168 1.00 1.00 O ATOM 390 CB ALA A 26 2.738 20.351 23.699 1.00 1.00 C ATOM 0 H ALA A 26 3.448 20.316 26.049 1.00 1.00 H new ATOM 0 HA ALA A 26 1.526 18.850 24.683 1.00 1.00 H new ATOM 0 HB1 ALA A 26 2.331 20.157 22.707 1.00 1.00 H new ATOM 0 HB2 ALA A 26 2.201 21.182 24.155 1.00 1.00 H new ATOM 0 HB3 ALA A 26 3.795 20.604 23.615 1.00 1.00 H new ATOM 396 N GLU A 27 4.594 17.782 24.107 1.00 1.00 N ATOM 397 CA GLU A 27 5.351 16.691 23.474 1.00 1.00 C ATOM 398 C GLU A 27 4.817 15.315 23.891 1.00 1.00 C ATOM 399 O GLU A 27 4.613 14.443 23.050 1.00 1.00 O ATOM 400 CB GLU A 27 6.862 16.820 23.812 1.00 1.00 C ATOM 401 CG GLU A 27 7.211 16.166 25.159 1.00 1.00 C ATOM 402 CD GLU A 27 8.679 16.413 25.512 1.00 1.00 C ATOM 403 OE1 GLU A 27 9.484 16.500 24.599 1.00 1.00 O ATOM 404 OE2 GLU A 27 8.973 16.516 26.691 1.00 1.00 O ATOM 0 H GLU A 27 5.147 18.397 24.704 1.00 1.00 H new ATOM 0 HA GLU A 27 5.222 16.776 22.395 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.451 16.356 23.021 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.138 17.874 23.839 1.00 1.00 H new ATOM 0 HG2 GLU A 27 6.570 16.570 25.943 1.00 1.00 H new ATOM 0 HG3 GLU A 27 7.018 15.094 25.110 1.00 1.00 H new ATOM 411 N LYS A 28 4.602 15.135 25.186 1.00 1.00 N ATOM 412 CA LYS A 28 4.104 13.867 25.707 1.00 1.00 C ATOM 413 C LYS A 28 2.645 13.661 25.321 1.00 1.00 C ATOM 414 O LYS A 28 2.196 12.530 25.134 1.00 1.00 O ATOM 415 CB LYS A 28 4.265 13.833 27.231 1.00 1.00 C ATOM 416 CG LYS A 28 5.732 13.537 27.583 1.00 1.00 C ATOM 417 CD LYS A 28 5.925 13.504 29.108 1.00 1.00 C ATOM 418 CE LYS A 28 6.062 14.936 29.651 1.00 1.00 C ATOM 419 NZ LYS A 28 6.397 14.900 31.119 1.00 1.00 N ATOM 0 H LYS A 28 4.764 15.849 25.896 1.00 1.00 H new ATOM 0 HA LYS A 28 4.687 13.056 25.270 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.962 14.788 27.661 1.00 1.00 H new ATOM 0 HB3 LYS A 28 3.616 13.070 27.659 1.00 1.00 H new ATOM 0 HG2 LYS A 28 6.029 12.581 27.152 1.00 1.00 H new ATOM 0 HG3 LYS A 28 6.378 14.298 27.145 1.00 1.00 H new ATOM 0 HD2 LYS A 28 5.077 13.007 29.580 1.00 1.00 H new ATOM 0 HD3 LYS A 28 6.814 12.925 29.358 1.00 1.00 H new ATOM 0 HE2 LYS A 28 6.841 15.468 29.105 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.132 15.483 29.495 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 6.488 15.872 31.478 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.640 14.409 31.636 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 7.295 14.394 31.258 1.00 1.00 H new ATOM 433 N VAL A 29 1.913 14.755 25.202 1.00 1.00 N ATOM 434 CA VAL A 29 0.504 14.686 24.844 1.00 1.00 C ATOM 435 C VAL A 29 0.339 14.258 23.385 1.00 1.00 C ATOM 436 O VAL A 29 -0.509 13.425 23.075 1.00 1.00 O ATOM 437 CB VAL A 29 -0.157 16.053 25.064 1.00 1.00 C ATOM 438 CG1 VAL A 29 -1.592 16.025 24.521 1.00 1.00 C ATOM 439 CG2 VAL A 29 -0.188 16.372 26.562 1.00 1.00 C ATOM 0 H VAL A 29 2.268 15.700 25.347 1.00 1.00 H new ATOM 0 HA VAL A 29 0.020 13.944 25.480 1.00 1.00 H new ATOM 0 HB VAL A 29 0.415 16.818 24.539 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -2.060 16.997 24.678 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -1.573 15.800 23.455 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -2.164 15.258 25.044 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -0.658 17.343 26.718 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -0.759 15.605 27.086 1.00 1.00 H new ATOM 0 HG23 VAL A 29 0.830 16.395 26.950 1.00 1.00 H new ATOM 449 N PHE A 30 1.149 14.818 22.490 1.00 1.00 N ATOM 450 CA PHE A 30 1.046 14.460 21.078 1.00 1.00 C ATOM 451 C PHE A 30 1.487 13.024 20.828 1.00 1.00 C ATOM 452 O PHE A 30 0.858 12.313 20.044 1.00 1.00 O ATOM 453 CB PHE A 30 1.925 15.356 20.212 1.00 1.00 C ATOM 454 CG PHE A 30 1.378 16.766 20.127 1.00 1.00 C ATOM 455 CD1 PHE A 30 0.058 16.999 19.696 1.00 1.00 C ATOM 456 CD2 PHE A 30 2.204 17.856 20.440 1.00 1.00 C ATOM 457 CE1 PHE A 30 -0.420 18.304 19.581 1.00 1.00 C ATOM 458 CE2 PHE A 30 1.716 19.161 20.325 1.00 1.00 C ATOM 459 CZ PHE A 30 0.402 19.380 19.892 1.00 1.00 C ATOM 0 H PHE A 30 1.869 15.506 22.710 1.00 1.00 H new ATOM 0 HA PHE A 30 -0.004 14.584 20.815 1.00 1.00 H new ATOM 0 HB2 PHE A 30 2.934 15.382 20.623 1.00 1.00 H new ATOM 0 HB3 PHE A 30 1.999 14.934 19.210 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -0.585 16.166 19.454 1.00 1.00 H new ATOM 0 HD2 PHE A 30 3.218 17.687 20.770 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -1.433 18.479 19.249 1.00 1.00 H new ATOM 0 HE2 PHE A 30 2.351 19.999 20.570 1.00 1.00 H new ATOM 0 HZ PHE A 30 0.027 20.388 19.800 1.00 1.00 H new ATOM 469 N LYS A 31 2.559 12.610 21.484 1.00 1.00 N ATOM 470 CA LYS A 31 3.057 11.265 21.288 1.00 1.00 C ATOM 471 C LYS A 31 2.033 10.286 21.814 1.00 1.00 C ATOM 472 O LYS A 31 1.790 9.245 21.204 1.00 1.00 O ATOM 473 CB LYS A 31 4.381 11.099 22.032 1.00 1.00 C ATOM 474 CG LYS A 31 5.440 11.952 21.326 1.00 1.00 C ATOM 475 CD LYS A 31 6.775 11.856 22.081 1.00 1.00 C ATOM 476 CE LYS A 31 7.852 12.733 21.400 1.00 1.00 C ATOM 477 NZ LYS A 31 8.158 13.904 22.273 1.00 1.00 N ATOM 0 H LYS A 31 3.091 13.177 22.145 1.00 1.00 H new ATOM 0 HA LYS A 31 3.226 11.076 20.228 1.00 1.00 H new ATOM 0 HB2 LYS A 31 4.274 11.410 23.071 1.00 1.00 H new ATOM 0 HB3 LYS A 31 4.682 10.051 22.042 1.00 1.00 H new ATOM 0 HG2 LYS A 31 5.568 11.612 20.298 1.00 1.00 H new ATOM 0 HG3 LYS A 31 5.112 12.990 21.280 1.00 1.00 H new ATOM 0 HD2 LYS A 31 6.638 12.176 23.114 1.00 1.00 H new ATOM 0 HD3 LYS A 31 7.108 10.819 22.110 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.756 12.149 21.225 1.00 1.00 H new ATOM 0 HE3 LYS A 31 7.499 13.073 20.427 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 8.524 14.685 21.691 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 7.291 14.211 22.759 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 8.873 13.634 22.978 1.00 1.00 H new ATOM 491 N GLN A 32 1.401 10.646 22.922 1.00 1.00 N ATOM 492 CA GLN A 32 0.365 9.805 23.485 1.00 1.00 C ATOM 493 C GLN A 32 -0.778 9.688 22.495 1.00 1.00 C ATOM 494 O GLN A 32 -1.304 8.609 22.264 1.00 1.00 O ATOM 495 CB GLN A 32 -0.178 10.386 24.788 1.00 1.00 C ATOM 496 CG GLN A 32 -1.331 9.512 25.296 1.00 1.00 C ATOM 497 CD GLN A 32 -1.730 9.942 26.699 1.00 1.00 C ATOM 498 OE1 GLN A 32 -1.063 10.900 27.296 1.00 1.00 O flip ATOM 499 NE2 GLN A 32 -2.661 9.382 27.280 1.00 1.00 N flip ATOM 0 H GLN A 32 1.587 11.504 23.440 1.00 1.00 H new ATOM 0 HA GLN A 32 0.801 8.828 23.693 1.00 1.00 H new ATOM 0 HB2 GLN A 32 0.614 10.433 25.536 1.00 1.00 H new ATOM 0 HB3 GLN A 32 -0.525 11.407 24.627 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -2.185 9.596 24.624 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -1.030 8.464 25.300 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -3.179 8.637 26.814 1.00 1.00 H new ATOM 0 HE22 GLN A 32 -2.914 9.663 28.227 1.00 1.00 H new ATOM 508 N TYR A 33 -1.171 10.826 21.936 1.00 1.00 N ATOM 509 CA TYR A 33 -2.274 10.864 20.991 1.00 1.00 C ATOM 510 C TYR A 33 -1.972 9.946 19.801 1.00 1.00 C ATOM 511 O TYR A 33 -2.764 9.063 19.462 1.00 1.00 O ATOM 512 CB TYR A 33 -2.456 12.334 20.553 1.00 1.00 C ATOM 513 CG TYR A 33 -2.961 12.456 19.136 1.00 1.00 C ATOM 514 CD1 TYR A 33 -4.332 12.416 18.886 1.00 1.00 C ATOM 515 CD2 TYR A 33 -2.060 12.633 18.081 1.00 1.00 C ATOM 516 CE1 TYR A 33 -4.810 12.551 17.580 1.00 1.00 C ATOM 517 CE2 TYR A 33 -2.535 12.775 16.774 1.00 1.00 C ATOM 518 CZ TYR A 33 -3.912 12.733 16.522 1.00 1.00 C ATOM 519 OH TYR A 33 -4.385 12.873 15.235 1.00 1.00 O ATOM 0 H TYR A 33 -0.741 11.732 22.122 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.198 10.504 21.442 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.155 12.827 21.228 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -1.504 12.857 20.642 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -5.025 12.280 19.703 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -0.998 12.660 18.276 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -5.872 12.515 17.387 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -1.841 12.917 15.959 1.00 1.00 H new ATOM 0 HH TYR A 33 -5.347 13.060 15.258 1.00 1.00 H new ATOM 529 N ALA A 34 -0.806 10.130 19.197 1.00 1.00 N ATOM 530 CA ALA A 34 -0.402 9.295 18.080 1.00 1.00 C ATOM 531 C ALA A 34 -0.310 7.828 18.522 1.00 1.00 C ATOM 532 O ALA A 34 -0.727 6.935 17.789 1.00 1.00 O ATOM 533 CB ALA A 34 0.956 9.776 17.548 1.00 1.00 C ATOM 0 H ALA A 34 -0.129 10.846 19.461 1.00 1.00 H new ATOM 0 HA ALA A 34 -1.145 9.370 17.286 1.00 1.00 H new ATOM 0 HB1 ALA A 34 1.261 9.150 16.709 1.00 1.00 H new ATOM 0 HB2 ALA A 34 0.871 10.811 17.216 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.702 9.709 18.340 1.00 1.00 H new ATOM 539 N ASN A 35 0.261 7.571 19.699 1.00 1.00 N ATOM 540 CA ASN A 35 0.380 6.194 20.152 1.00 1.00 C ATOM 541 C ASN A 35 -1.018 5.671 20.436 1.00 1.00 C ATOM 542 O ASN A 35 -1.385 4.567 20.032 1.00 1.00 O ATOM 543 CB ASN A 35 1.249 6.115 21.407 1.00 1.00 C ATOM 544 CG ASN A 35 1.253 4.700 21.966 1.00 1.00 C ATOM 545 OD1 ASN A 35 2.191 3.943 21.715 1.00 1.00 O ATOM 546 ND2 ASN A 35 0.274 4.286 22.723 1.00 1.00 N ATOM 0 H ASN A 35 0.636 8.275 20.335 1.00 1.00 H new ATOM 0 HA ASN A 35 0.858 5.586 19.384 1.00 1.00 H new ATOM 0 HB2 ASN A 35 2.268 6.421 21.170 1.00 1.00 H new ATOM 0 HB3 ASN A 35 0.874 6.808 22.160 1.00 1.00 H new ATOM 0 HD21 ASN A 35 0.289 3.340 23.103 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -0.506 4.909 22.934 1.00 1.00 H new ATOM 553 N ASP A 36 -1.781 6.518 21.107 1.00 1.00 N ATOM 554 CA ASP A 36 -3.152 6.234 21.460 1.00 1.00 C ATOM 555 C ASP A 36 -4.004 6.103 20.213 1.00 1.00 C ATOM 556 O ASP A 36 -5.122 5.592 20.287 1.00 1.00 O ATOM 557 CB ASP A 36 -3.738 7.319 22.356 1.00 1.00 C ATOM 558 CG ASP A 36 -3.110 7.251 23.739 1.00 1.00 C ATOM 559 OD1 ASP A 36 -2.078 6.615 23.873 1.00 1.00 O ATOM 560 OD2 ASP A 36 -3.666 7.850 24.644 1.00 1.00 O ATOM 0 H ASP A 36 -1.457 7.432 21.423 1.00 1.00 H new ATOM 0 HA ASP A 36 -3.155 5.292 22.009 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -3.561 8.300 21.916 1.00 1.00 H new ATOM 0 HB3 ASP A 36 -4.818 7.194 22.432 1.00 1.00 H new ATOM 565 N ASN A 37 -3.454 6.504 19.045 1.00 1.00 N ATOM 566 CA ASN A 37 -4.199 6.349 17.787 1.00 1.00 C ATOM 567 C ASN A 37 -3.552 5.291 16.879 1.00 1.00 C ATOM 568 O ASN A 37 -3.958 5.141 15.728 1.00 1.00 O ATOM 569 CB ASN A 37 -4.242 7.673 17.021 1.00 1.00 C ATOM 570 CG ASN A 37 -5.174 8.659 17.713 1.00 1.00 C ATOM 571 OD1 ASN A 37 -5.993 8.266 18.543 1.00 1.00 O ATOM 572 ND2 ASN A 37 -5.132 9.923 17.387 1.00 1.00 N ATOM 0 H ASN A 37 -2.529 6.923 18.952 1.00 1.00 H new ATOM 0 HA ASN A 37 -5.208 6.032 18.051 1.00 1.00 H new ATOM 0 HB2 ASN A 37 -3.239 8.095 16.956 1.00 1.00 H new ATOM 0 HB3 ASN A 37 -4.581 7.498 16.000 1.00 1.00 H new ATOM 0 HD21 ASN A 37 -5.778 10.583 17.820 1.00 1.00 H new ATOM 0 HD22 ASN A 37 -4.454 10.250 16.699 1.00 1.00 H new ATOM 579 N GLY A 38 -2.566 4.559 17.403 1.00 1.00 N ATOM 580 CA GLY A 38 -1.881 3.512 16.643 1.00 1.00 C ATOM 581 C GLY A 38 -0.708 4.054 15.815 1.00 1.00 C ATOM 582 O GLY A 38 -0.071 3.310 15.068 1.00 1.00 O ATOM 0 H GLY A 38 -2.223 4.674 18.357 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -1.514 2.750 17.331 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -2.595 3.024 15.979 1.00 1.00 H new ATOM 586 N VAL A 39 -0.410 5.352 15.949 1.00 1.00 N ATOM 587 CA VAL A 39 0.704 5.922 15.184 1.00 1.00 C ATOM 588 C VAL A 39 2.025 5.830 15.954 1.00 1.00 C ATOM 589 O VAL A 39 2.118 6.207 17.121 1.00 1.00 O ATOM 590 CB VAL A 39 0.416 7.387 14.859 1.00 1.00 C ATOM 591 CG1 VAL A 39 1.384 7.880 13.791 1.00 1.00 C ATOM 592 CG2 VAL A 39 -1.017 7.521 14.356 1.00 1.00 C ATOM 0 H VAL A 39 -0.904 6.006 16.556 1.00 1.00 H new ATOM 0 HA VAL A 39 0.801 5.344 14.265 1.00 1.00 H new ATOM 0 HB VAL A 39 0.544 7.989 15.759 1.00 1.00 H new ATOM 0 HG11 VAL A 39 1.174 8.925 13.564 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.407 7.787 14.156 1.00 1.00 H new ATOM 0 HG13 VAL A 39 1.265 7.281 12.888 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -1.225 8.565 14.123 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -1.145 6.917 13.458 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.707 7.177 15.127 1.00 1.00 H new ATOM 602 N ASP A 40 3.039 5.314 15.246 1.00 1.00 N ATOM 603 CA ASP A 40 4.390 5.151 15.768 1.00 1.00 C ATOM 604 C ASP A 40 5.370 5.577 14.679 1.00 1.00 C ATOM 605 O ASP A 40 5.505 4.877 13.676 1.00 1.00 O ATOM 606 CB ASP A 40 4.621 3.682 16.146 1.00 1.00 C ATOM 607 CG ASP A 40 5.902 3.533 16.960 1.00 1.00 C ATOM 608 OD1 ASP A 40 6.739 4.418 16.895 1.00 1.00 O ATOM 609 OD2 ASP A 40 6.011 2.543 17.669 1.00 1.00 O ATOM 0 H ASP A 40 2.936 4.996 14.282 1.00 1.00 H new ATOM 0 HA ASP A 40 4.535 5.762 16.659 1.00 1.00 H new ATOM 0 HB2 ASP A 40 3.773 3.311 16.721 1.00 1.00 H new ATOM 0 HB3 ASP A 40 4.684 3.074 15.243 1.00 1.00 H new ATOM 614 N GLY A 41 6.051 6.695 14.844 1.00 1.00 N ATOM 615 CA GLY A 41 6.987 7.142 13.818 1.00 1.00 C ATOM 616 C GLY A 41 8.181 7.875 14.402 1.00 1.00 C ATOM 617 O GLY A 41 8.564 7.667 15.554 1.00 1.00 O ATOM 0 H GLY A 41 5.980 7.303 15.660 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.336 6.281 13.249 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.469 7.798 13.118 1.00 1.00 H new ATOM 621 N GLU A 42 8.762 8.745 13.579 1.00 1.00 N ATOM 622 CA GLU A 42 9.907 9.531 13.982 1.00 1.00 C ATOM 623 C GLU A 42 9.364 10.891 14.323 1.00 1.00 C ATOM 624 O GLU A 42 8.444 11.365 13.675 1.00 1.00 O ATOM 625 CB GLU A 42 10.896 9.624 12.825 1.00 1.00 C ATOM 626 CG GLU A 42 11.442 8.235 12.510 1.00 1.00 C ATOM 627 CD GLU A 42 12.374 8.309 11.303 1.00 1.00 C ATOM 628 OE1 GLU A 42 12.534 9.392 10.768 1.00 1.00 O ATOM 629 OE2 GLU A 42 12.909 7.276 10.931 1.00 1.00 O ATOM 0 H GLU A 42 8.450 8.918 12.624 1.00 1.00 H new ATOM 0 HA GLU A 42 10.434 9.090 14.828 1.00 1.00 H new ATOM 0 HB2 GLU A 42 10.405 10.042 11.946 1.00 1.00 H new ATOM 0 HB3 GLU A 42 11.713 10.297 13.084 1.00 1.00 H new ATOM 0 HG2 GLU A 42 11.979 7.841 13.373 1.00 1.00 H new ATOM 0 HG3 GLU A 42 10.620 7.549 12.305 1.00 1.00 H new ATOM 636 N TRP A 43 9.878 11.469 15.392 1.00 1.00 N ATOM 637 CA TRP A 43 9.379 12.743 15.895 1.00 1.00 C ATOM 638 C TRP A 43 10.415 13.840 15.897 1.00 1.00 C ATOM 639 O TRP A 43 11.600 13.627 16.159 1.00 1.00 O ATOM 640 CB TRP A 43 8.900 12.574 17.329 1.00 1.00 C ATOM 641 CG TRP A 43 7.673 11.749 17.336 1.00 1.00 C ATOM 642 CD1 TRP A 43 7.627 10.394 17.231 1.00 1.00 C ATOM 643 CD2 TRP A 43 6.304 12.191 17.475 1.00 1.00 C ATOM 644 NE1 TRP A 43 6.303 9.987 17.288 1.00 1.00 N ATOM 645 CE2 TRP A 43 5.457 11.063 17.441 1.00 1.00 C ATOM 646 CE3 TRP A 43 5.721 13.461 17.623 1.00 1.00 C ATOM 647 CZ2 TRP A 43 4.092 11.187 17.553 1.00 1.00 C ATOM 648 CZ3 TRP A 43 4.333 13.594 17.734 1.00 1.00 C ATOM 649 CH2 TRP A 43 3.518 12.453 17.702 1.00 1.00 C ATOM 0 H TRP A 43 10.647 11.076 15.935 1.00 1.00 H new ATOM 0 HA TRP A 43 8.574 13.034 15.220 1.00 1.00 H new ATOM 0 HB2 TRP A 43 9.675 12.100 17.931 1.00 1.00 H new ATOM 0 HB3 TRP A 43 8.701 13.548 17.776 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.481 9.742 17.121 1.00 1.00 H new ATOM 0 HE1 TRP A 43 5.995 9.017 17.225 1.00 1.00 H new ATOM 0 HE3 TRP A 43 6.348 14.340 17.651 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 3.465 10.308 17.526 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 3.890 14.573 17.844 1.00 1.00 H new ATOM 0 HH2 TRP A 43 2.446 12.552 17.793 1.00 1.00 H new ATOM 660 N THR A 44 9.910 15.029 15.633 1.00 1.00 N ATOM 661 CA THR A 44 10.708 16.238 15.618 1.00 1.00 C ATOM 662 C THR A 44 9.899 17.378 16.231 1.00 1.00 C ATOM 663 O THR A 44 8.669 17.339 16.225 1.00 1.00 O ATOM 664 CB THR A 44 11.041 16.579 14.182 1.00 1.00 C ATOM 665 OG1 THR A 44 11.524 17.914 14.095 1.00 1.00 O ATOM 666 CG2 THR A 44 9.765 16.424 13.360 1.00 1.00 C ATOM 0 H THR A 44 8.924 15.184 15.421 1.00 1.00 H new ATOM 0 HA THR A 44 11.624 16.091 16.190 1.00 1.00 H new ATOM 0 HB THR A 44 11.819 15.916 13.803 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.738 18.124 13.162 1.00 1.00 H new ATOM 0 HG21 THR A 44 9.973 16.664 12.317 1.00 1.00 H new ATOM 0 HG22 THR A 44 9.408 15.397 13.432 1.00 1.00 H new ATOM 0 HG23 THR A 44 9.001 17.101 13.743 1.00 1.00 H new ATOM 674 N TYR A 45 10.576 18.406 16.740 1.00 1.00 N ATOM 675 CA TYR A 45 9.858 19.537 17.335 1.00 1.00 C ATOM 676 C TYR A 45 10.536 20.864 17.048 1.00 1.00 C ATOM 677 O TYR A 45 11.755 21.001 17.164 1.00 1.00 O ATOM 678 CB TYR A 45 9.740 19.342 18.853 1.00 1.00 C ATOM 679 CG TYR A 45 9.161 20.591 19.495 1.00 1.00 C ATOM 680 CD1 TYR A 45 7.891 21.050 19.118 1.00 1.00 C ATOM 681 CD2 TYR A 45 9.896 21.290 20.464 1.00 1.00 C ATOM 682 CE1 TYR A 45 7.359 22.204 19.708 1.00 1.00 C ATOM 683 CE2 TYR A 45 9.364 22.443 21.053 1.00 1.00 C ATOM 684 CZ TYR A 45 8.095 22.899 20.677 1.00 1.00 C ATOM 685 OH TYR A 45 7.570 24.036 21.253 1.00 1.00 O ATOM 0 H TYR A 45 11.593 18.482 16.755 1.00 1.00 H new ATOM 0 HA TYR A 45 8.867 19.565 16.881 1.00 1.00 H new ATOM 0 HB2 TYR A 45 9.104 18.484 19.069 1.00 1.00 H new ATOM 0 HB3 TYR A 45 10.721 19.126 19.277 1.00 1.00 H new ATOM 0 HD1 TYR A 45 7.323 20.514 18.372 1.00 1.00 H new ATOM 0 HD2 TYR A 45 10.874 20.938 20.756 1.00 1.00 H new ATOM 0 HE1 TYR A 45 6.381 22.558 19.416 1.00 1.00 H new ATOM 0 HE2 TYR A 45 9.932 22.981 21.797 1.00 1.00 H new ATOM 0 HH TYR A 45 8.207 24.396 21.905 1.00 1.00 H new ATOM 695 N ASP A 46 9.715 21.869 16.726 1.00 1.00 N ATOM 696 CA ASP A 46 10.212 23.221 16.488 1.00 1.00 C ATOM 697 C ASP A 46 9.587 24.154 17.522 1.00 1.00 C ATOM 698 O ASP A 46 8.359 24.279 17.589 1.00 1.00 O ATOM 699 CB ASP A 46 9.852 23.689 15.078 1.00 1.00 C ATOM 700 CG ASP A 46 10.388 25.097 14.858 1.00 1.00 C ATOM 701 OD1 ASP A 46 10.879 25.682 15.811 1.00 1.00 O ATOM 702 OD2 ASP A 46 10.297 25.575 13.739 1.00 1.00 O ATOM 0 H ASP A 46 8.705 21.768 16.625 1.00 1.00 H new ATOM 0 HA ASP A 46 11.298 23.231 16.578 1.00 1.00 H new ATOM 0 HB2 ASP A 46 10.274 23.008 14.339 1.00 1.00 H new ATOM 0 HB3 ASP A 46 8.770 23.675 14.944 1.00 1.00 H new ATOM 707 N ASP A 47 10.426 24.773 18.353 1.00 1.00 N ATOM 708 CA ASP A 47 9.929 25.649 19.413 1.00 1.00 C ATOM 709 C ASP A 47 9.606 27.047 18.893 1.00 1.00 C ATOM 710 O ASP A 47 8.868 27.797 19.534 1.00 1.00 O ATOM 711 CB ASP A 47 10.976 25.771 20.528 1.00 1.00 C ATOM 712 CG ASP A 47 12.169 26.613 20.072 1.00 1.00 C ATOM 713 OD1 ASP A 47 12.253 26.899 18.890 1.00 1.00 O ATOM 714 OD2 ASP A 47 12.985 26.948 20.914 1.00 1.00 O ATOM 0 H ASP A 47 11.441 24.686 18.314 1.00 1.00 H new ATOM 0 HA ASP A 47 9.012 25.201 19.796 1.00 1.00 H new ATOM 0 HB2 ASP A 47 10.522 26.224 21.409 1.00 1.00 H new ATOM 0 HB3 ASP A 47 11.318 24.778 20.821 1.00 1.00 H new ATOM 719 N ALA A 48 10.179 27.405 17.748 1.00 1.00 N ATOM 720 CA ALA A 48 9.946 28.734 17.195 1.00 1.00 C ATOM 721 C ALA A 48 8.600 28.796 16.479 1.00 1.00 C ATOM 722 O ALA A 48 8.031 29.874 16.308 1.00 1.00 O ATOM 723 CB ALA A 48 11.051 29.091 16.208 1.00 1.00 C ATOM 0 H ALA A 48 10.795 26.808 17.195 1.00 1.00 H new ATOM 0 HA ALA A 48 9.943 29.446 18.020 1.00 1.00 H new ATOM 0 HB1 ALA A 48 10.868 30.085 15.801 1.00 1.00 H new ATOM 0 HB2 ALA A 48 12.013 29.080 16.720 1.00 1.00 H new ATOM 0 HB3 ALA A 48 11.063 28.363 15.397 1.00 1.00 H new ATOM 729 N THR A 49 8.099 27.634 16.058 1.00 1.00 N ATOM 730 CA THR A 49 6.820 27.556 15.350 1.00 1.00 C ATOM 731 C THR A 49 5.802 26.789 16.191 1.00 1.00 C ATOM 732 O THR A 49 4.615 26.758 15.865 1.00 1.00 O ATOM 733 CB THR A 49 7.010 26.852 13.995 1.00 1.00 C ATOM 734 OG1 THR A 49 7.845 25.715 14.167 1.00 1.00 O ATOM 735 CG2 THR A 49 7.659 27.811 12.987 1.00 1.00 C ATOM 0 H THR A 49 8.559 26.734 16.195 1.00 1.00 H new ATOM 0 HA THR A 49 6.451 28.567 15.178 1.00 1.00 H new ATOM 0 HB THR A 49 6.036 26.542 13.616 1.00 1.00 H new ATOM 0 HG1 THR A 49 8.538 25.710 13.474 1.00 1.00 H new ATOM 0 HG21 THR A 49 7.789 27.302 12.032 1.00 1.00 H new ATOM 0 HG22 THR A 49 7.019 28.682 12.850 1.00 1.00 H new ATOM 0 HG23 THR A 49 8.631 28.130 13.363 1.00 1.00 H new ATOM 743 N LYS A 50 6.272 26.154 17.269 1.00 1.00 N ATOM 744 CA LYS A 50 5.387 25.385 18.131 1.00 1.00 C ATOM 745 C LYS A 50 4.689 24.298 17.328 1.00 1.00 C ATOM 746 O LYS A 50 3.479 24.115 17.439 1.00 1.00 O ATOM 747 CB LYS A 50 4.333 26.296 18.751 1.00 1.00 C ATOM 748 CG LYS A 50 4.996 27.516 19.389 1.00 1.00 C ATOM 749 CD LYS A 50 5.924 27.072 20.522 1.00 1.00 C ATOM 750 CE LYS A 50 6.239 28.266 21.431 1.00 1.00 C ATOM 751 NZ LYS A 50 6.967 27.784 22.635 1.00 1.00 N ATOM 0 H LYS A 50 7.250 26.160 17.558 1.00 1.00 H new ATOM 0 HA LYS A 50 5.986 24.930 18.920 1.00 1.00 H new ATOM 0 HB2 LYS A 50 3.625 26.616 17.987 1.00 1.00 H new ATOM 0 HB3 LYS A 50 3.765 25.748 19.502 1.00 1.00 H new ATOM 0 HG2 LYS A 50 5.562 28.067 18.638 1.00 1.00 H new ATOM 0 HG3 LYS A 50 4.235 28.194 19.775 1.00 1.00 H new ATOM 0 HD2 LYS A 50 5.453 26.277 21.100 1.00 1.00 H new ATOM 0 HD3 LYS A 50 6.847 26.663 20.110 1.00 1.00 H new ATOM 0 HE2 LYS A 50 6.843 28.998 20.894 1.00 1.00 H new ATOM 0 HE3 LYS A 50 5.317 28.768 21.725 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 7.183 28.590 23.256 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 6.374 27.101 23.149 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 7.853 27.324 22.344 1.00 1.00 H new ATOM 765 N THR A 51 5.455 23.590 16.495 1.00 1.00 N ATOM 766 CA THR A 51 4.879 22.532 15.653 1.00 1.00 C ATOM 767 C THR A 51 5.633 21.211 15.816 1.00 1.00 C ATOM 768 O THR A 51 6.855 21.163 15.674 1.00 1.00 O ATOM 769 CB THR A 51 4.926 22.963 14.180 1.00 1.00 C ATOM 770 OG1 THR A 51 4.212 24.181 14.024 1.00 1.00 O ATOM 771 CG2 THR A 51 4.287 21.878 13.312 1.00 1.00 C ATOM 0 H THR A 51 6.460 23.724 16.384 1.00 1.00 H new ATOM 0 HA THR A 51 3.847 22.378 15.968 1.00 1.00 H new ATOM 0 HB THR A 51 5.962 23.107 13.873 1.00 1.00 H new ATOM 0 HG1 THR A 51 4.242 24.460 13.085 1.00 1.00 H new ATOM 0 HG21 THR A 51 4.320 22.183 12.266 1.00 1.00 H new ATOM 0 HG22 THR A 51 4.835 20.944 13.435 1.00 1.00 H new ATOM 0 HG23 THR A 51 3.250 21.733 13.615 1.00 1.00 H new ATOM 779 N PHE A 52 4.883 20.128 16.080 1.00 1.00 N ATOM 780 CA PHE A 52 5.468 18.807 16.218 1.00 1.00 C ATOM 781 C PHE A 52 5.105 18.014 14.986 1.00 1.00 C ATOM 782 O PHE A 52 4.081 18.284 14.372 1.00 1.00 O ATOM 783 CB PHE A 52 4.885 18.089 17.435 1.00 1.00 C ATOM 784 CG PHE A 52 5.390 18.705 18.713 1.00 1.00 C ATOM 785 CD1 PHE A 52 4.707 19.780 19.290 1.00 1.00 C ATOM 786 CD2 PHE A 52 6.519 18.171 19.349 1.00 1.00 C ATOM 787 CE1 PHE A 52 5.150 20.324 20.502 1.00 1.00 C ATOM 788 CE2 PHE A 52 6.967 18.721 20.556 1.00 1.00 C ATOM 789 CZ PHE A 52 6.281 19.796 21.134 1.00 1.00 C ATOM 0 H PHE A 52 3.870 20.154 16.200 1.00 1.00 H new ATOM 0 HA PHE A 52 6.548 18.896 16.339 1.00 1.00 H new ATOM 0 HB2 PHE A 52 3.797 18.141 17.406 1.00 1.00 H new ATOM 0 HB3 PHE A 52 5.155 17.033 17.404 1.00 1.00 H new ATOM 0 HD1 PHE A 52 3.837 20.191 18.800 1.00 1.00 H new ATOM 0 HD2 PHE A 52 7.043 17.336 18.908 1.00 1.00 H new ATOM 0 HE1 PHE A 52 4.619 21.151 20.949 1.00 1.00 H new ATOM 0 HE2 PHE A 52 7.842 18.316 21.042 1.00 1.00 H new ATOM 0 HZ PHE A 52 6.625 20.217 22.067 1.00 1.00 H new ATOM 799 N THR A 53 5.914 17.033 14.618 1.00 1.00 N ATOM 800 CA THR A 53 5.580 16.214 13.457 1.00 1.00 C ATOM 801 C THR A 53 5.932 14.768 13.744 1.00 1.00 C ATOM 802 O THR A 53 6.940 14.492 14.400 1.00 1.00 O ATOM 803 CB THR A 53 6.311 16.681 12.182 1.00 1.00 C ATOM 804 OG1 THR A 53 7.579 16.062 12.111 1.00 1.00 O ATOM 805 CG2 THR A 53 6.474 18.203 12.191 1.00 1.00 C ATOM 0 H THR A 53 6.784 16.786 15.089 1.00 1.00 H new ATOM 0 HA THR A 53 4.510 16.317 13.276 1.00 1.00 H new ATOM 0 HB THR A 53 5.721 16.399 11.310 1.00 1.00 H new ATOM 0 HG1 THR A 53 8.042 16.358 11.300 1.00 1.00 H new ATOM 0 HG21 THR A 53 6.992 18.519 11.285 1.00 1.00 H new ATOM 0 HG22 THR A 53 5.492 18.674 12.231 1.00 1.00 H new ATOM 0 HG23 THR A 53 7.055 18.502 13.064 1.00 1.00 H new ATOM 813 N VAL A 54 5.149 13.838 13.194 1.00 1.00 N ATOM 814 CA VAL A 54 5.452 12.421 13.346 1.00 1.00 C ATOM 815 C VAL A 54 5.278 11.724 12.011 1.00 1.00 C ATOM 816 O VAL A 54 4.323 11.990 11.281 1.00 1.00 O ATOM 817 CB VAL A 54 4.567 11.779 14.407 1.00 1.00 C ATOM 818 CG1 VAL A 54 3.110 11.841 13.976 1.00 1.00 C ATOM 819 CG2 VAL A 54 4.981 10.313 14.589 1.00 1.00 C ATOM 0 H VAL A 54 4.312 14.040 12.647 1.00 1.00 H new ATOM 0 HA VAL A 54 6.486 12.316 13.676 1.00 1.00 H new ATOM 0 HB VAL A 54 4.684 12.318 15.347 1.00 1.00 H new ATOM 0 HG11 VAL A 54 2.485 11.380 14.740 1.00 1.00 H new ATOM 0 HG12 VAL A 54 2.814 12.882 13.844 1.00 1.00 H new ATOM 0 HG13 VAL A 54 2.986 11.306 13.034 1.00 1.00 H new ATOM 0 HG21 VAL A 54 4.351 9.848 15.347 1.00 1.00 H new ATOM 0 HG22 VAL A 54 4.864 9.782 13.644 1.00 1.00 H new ATOM 0 HG23 VAL A 54 6.023 10.266 14.905 1.00 1.00 H new ATOM 829 N THR A 55 6.225 10.850 11.693 1.00 1.00 N ATOM 830 CA THR A 55 6.214 10.125 10.437 1.00 1.00 C ATOM 831 C THR A 55 6.586 8.659 10.646 1.00 1.00 C ATOM 832 O THR A 55 7.649 8.357 11.183 1.00 1.00 O ATOM 833 CB THR A 55 7.227 10.767 9.499 1.00 1.00 C ATOM 834 OG1 THR A 55 6.928 12.149 9.350 1.00 1.00 O ATOM 835 CG2 THR A 55 7.161 10.083 8.137 1.00 1.00 C ATOM 0 H THR A 55 7.016 10.628 12.297 1.00 1.00 H new ATOM 0 HA THR A 55 5.211 10.167 10.013 1.00 1.00 H new ATOM 0 HB THR A 55 8.228 10.656 9.915 1.00 1.00 H new ATOM 0 HG1 THR A 55 7.581 12.562 8.747 1.00 1.00 H new ATOM 0 HG21 THR A 55 7.886 10.541 7.464 1.00 1.00 H new ATOM 0 HG22 THR A 55 7.391 9.024 8.250 1.00 1.00 H new ATOM 0 HG23 THR A 55 6.159 10.195 7.722 1.00 1.00 H new ATOM 843 N GLU A 56 5.724 7.757 10.185 1.00 1.00 N ATOM 844 CA GLU A 56 5.975 6.326 10.287 1.00 1.00 C ATOM 845 C GLU A 56 6.601 5.815 8.992 1.00 1.00 C ATOM 846 O GLU A 56 6.797 4.616 8.882 1.00 1.00 O ATOM 847 CB GLU A 56 4.657 5.593 10.531 1.00 1.00 C ATOM 848 CG GLU A 56 3.804 6.381 11.516 1.00 1.00 C ATOM 849 CD GLU A 56 2.480 5.657 11.714 1.00 1.00 C ATOM 850 OE1 GLU A 56 2.418 4.812 12.592 1.00 1.00 O ATOM 851 OE2 GLU A 56 1.540 5.972 11.004 1.00 1.00 O ATOM 852 OXT GLU A 56 6.867 6.631 8.125 1.00 1.00 O ATOM 0 H GLU A 56 4.841 7.996 9.735 1.00 1.00 H new ATOM 0 HA GLU A 56 6.658 6.142 11.116 1.00 1.00 H new ATOM 0 HB2 GLU A 56 4.121 5.467 9.591 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.852 4.595 10.922 1.00 1.00 H new ATOM 0 HG2 GLU A 56 4.324 6.481 12.468 1.00 1.00 H new ATOM 0 HG3 GLU A 56 3.629 7.389 11.140 1.00 1.00 H new TER 859 GLU A 56