USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 608 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 68 MET CE :methyl -150:sc= -0.0473 (180deg=-0.752) USER MOD Set 1.2: A 73 THR OG1 : rot 70:sc= 1.27 USER MOD Set 2.1: A 64 ASN :FLIP amide:sc= 0.654 F(o=-0.83,f=1.1) USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= 0.492 USER MOD Set 3.1: A 6 TYR OH : rot 130:sc= 0.611 USER MOD Set 3.2: A 38 TYR OH : rot -161:sc= 2.75 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -130:sc=0.000299 (180deg=-1.07) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 7 TYR OH : rot 118:sc= 1.27 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0614 USER MOD Single : A 14 THR OG1 : rot 165:sc= 0.228 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.092 K(o=-0.092,f=-0.69) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.963 USER MOD Single : A 35 LYS NZ :NH3+ 159:sc= -0.0274 (180deg=-0.288) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 176:sc= -0.862 USER MOD Single : A 44 LYS NZ :NH3+ 155:sc= 0.00722 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.2!) USER MOD Single : A 46 MET CE :methyl 141:sc= -0.662 (180deg=-2.87!) USER MOD Single : A 47 TYR OH : rot -84:sc= 0.124 USER MOD Single : A 50 ASN : amide:sc=-0.00877 X(o=-0.0088,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.035 X(o=-0.035,f=-0.41) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.4!) USER MOD Single : A 61 ASN : amide:sc= -2.94! C(o=-2.9!,f=-4.3!) USER MOD Single : A 63 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.4!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 145:sc= -0.0577 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.412 12.258 7.308 1.00 64.03 N ATOM 2 CA MET A 1 -1.878 11.107 8.029 1.00 53.32 C ATOM 3 C MET A 1 -2.376 9.802 7.416 1.00 72.23 C ATOM 4 O MET A 1 -3.580 9.581 7.297 1.00 62.10 O ATOM 5 CB MET A 1 -2.274 11.174 9.505 1.00 33.03 C ATOM 6 CG MET A 1 -1.955 9.906 10.279 1.00 63.31 C ATOM 7 SD MET A 1 -1.682 10.212 12.035 1.00 21.24 S ATOM 8 CE MET A 1 -3.332 10.672 12.558 1.00 52.02 C ATOM 0 H1 MET A 1 -1.636 12.908 7.068 1.00 64.03 H new ATOM 0 H2 MET A 1 -2.877 11.936 6.435 1.00 64.03 H new ATOM 0 H3 MET A 1 -3.104 12.752 7.907 1.00 64.03 H new ATOM 0 HA MET A 1 -0.791 11.133 7.950 1.00 53.32 H new ATOM 0 HB2 MET A 1 -1.760 12.014 9.973 1.00 33.03 H new ATOM 0 HB3 MET A 1 -3.343 11.374 9.577 1.00 33.03 H new ATOM 0 HG2 MET A 1 -2.775 9.197 10.161 1.00 63.31 H new ATOM 0 HG3 MET A 1 -1.067 9.439 9.853 1.00 63.31 H new ATOM 0 HE1 MET A 1 -3.327 10.892 13.625 1.00 52.02 H new ATOM 0 HE2 MET A 1 -3.656 11.555 12.007 1.00 52.02 H new ATOM 0 HE3 MET A 1 -4.019 9.849 12.361 1.00 52.02 H new ATOM 16 N VAL A 2 -1.440 8.941 7.028 1.00 74.32 N ATOM 17 CA VAL A 2 -1.783 7.658 6.427 1.00 1.42 C ATOM 18 C VAL A 2 -1.240 6.500 7.257 1.00 12.40 C ATOM 19 O VAL A 2 -0.067 6.486 7.632 1.00 71.44 O ATOM 20 CB VAL A 2 -1.238 7.546 4.991 1.00 14.44 C ATOM 21 CG1 VAL A 2 -2.001 8.473 4.057 1.00 62.13 C ATOM 22 CG2 VAL A 2 0.251 7.854 4.962 1.00 63.23 C ATOM 0 H VAL A 2 -0.438 9.109 7.119 1.00 74.32 H new ATOM 0 HA VAL A 2 -2.871 7.603 6.399 1.00 1.42 H new ATOM 0 HB VAL A 2 -1.381 6.522 4.645 1.00 14.44 H new ATOM 0 HG11 VAL A 2 -1.602 8.380 3.047 1.00 62.13 H new ATOM 0 HG12 VAL A 2 -3.057 8.201 4.057 1.00 62.13 H new ATOM 0 HG13 VAL A 2 -1.892 9.503 4.397 1.00 62.13 H new ATOM 0 HG21 VAL A 2 0.620 7.770 3.940 1.00 63.23 H new ATOM 0 HG22 VAL A 2 0.420 8.867 5.327 1.00 63.23 H new ATOM 0 HG23 VAL A 2 0.782 7.146 5.598 1.00 63.23 H new ATOM 32 N THR A 3 -2.100 5.528 7.541 1.00 45.43 N ATOM 33 CA THR A 3 -1.708 4.365 8.327 1.00 13.22 C ATOM 34 C THR A 3 -1.560 3.130 7.446 1.00 42.25 C ATOM 35 O THR A 3 -2.414 2.849 6.605 1.00 74.10 O ATOM 36 CB THR A 3 -2.730 4.068 9.441 1.00 2.15 C ATOM 37 OG1 THR A 3 -3.247 5.294 9.970 1.00 42.21 O ATOM 38 CG2 THR A 3 -2.093 3.256 10.558 1.00 74.11 C ATOM 0 H THR A 3 -3.074 5.523 7.238 1.00 45.43 H new ATOM 0 HA THR A 3 -0.746 4.601 8.781 1.00 13.22 H new ATOM 0 HB THR A 3 -3.545 3.486 9.011 1.00 2.15 H new ATOM 0 HG1 THR A 3 -3.897 5.097 10.676 1.00 42.21 H new ATOM 0 HG21 THR A 3 -2.834 3.059 11.333 1.00 74.11 H new ATOM 0 HG22 THR A 3 -1.727 2.311 10.157 1.00 74.11 H new ATOM 0 HG23 THR A 3 -1.261 3.816 10.986 1.00 74.11 H new ATOM 46 N VAL A 4 -0.471 2.394 7.645 1.00 62.42 N ATOM 47 CA VAL A 4 -0.213 1.187 6.868 1.00 43.04 C ATOM 48 C VAL A 4 0.447 0.112 7.726 1.00 13.31 C ATOM 49 O VAL A 4 1.480 0.350 8.351 1.00 14.45 O ATOM 50 CB VAL A 4 0.687 1.482 5.654 1.00 70.44 C ATOM 51 CG1 VAL A 4 0.815 0.250 4.771 1.00 11.34 C ATOM 52 CG2 VAL A 4 0.143 2.661 4.862 1.00 13.11 C ATOM 0 H VAL A 4 0.246 2.612 8.337 1.00 62.42 H new ATOM 0 HA VAL A 4 -1.179 0.825 6.515 1.00 43.04 H new ATOM 0 HB VAL A 4 1.681 1.744 6.016 1.00 70.44 H new ATOM 0 HG11 VAL A 4 1.455 0.478 3.918 1.00 11.34 H new ATOM 0 HG12 VAL A 4 1.254 -0.566 5.346 1.00 11.34 H new ATOM 0 HG13 VAL A 4 -0.172 -0.047 4.415 1.00 11.34 H new ATOM 0 HG21 VAL A 4 0.791 2.856 4.008 1.00 13.11 H new ATOM 0 HG22 VAL A 4 -0.862 2.430 4.510 1.00 13.11 H new ATOM 0 HG23 VAL A 4 0.109 3.544 5.500 1.00 13.11 H new ATOM 62 N ARG A 5 -0.158 -1.071 7.751 1.00 70.40 N ATOM 63 CA ARG A 5 0.370 -2.182 8.533 1.00 3.05 C ATOM 64 C ARG A 5 0.880 -3.294 7.621 1.00 71.41 C ATOM 65 O ARG A 5 0.431 -3.434 6.483 1.00 53.11 O ATOM 66 CB ARG A 5 -0.707 -2.731 9.470 1.00 2.41 C ATOM 67 CG ARG A 5 -0.161 -3.633 10.565 1.00 65.42 C ATOM 68 CD ARG A 5 -1.208 -3.915 11.630 1.00 33.41 C ATOM 69 NE ARG A 5 -0.607 -4.165 12.937 1.00 34.21 N ATOM 70 CZ ARG A 5 -1.279 -4.094 14.081 1.00 63.52 C ATOM 71 NH1 ARG A 5 -2.568 -3.784 14.077 1.00 51.35 N ATOM 72 NH2 ARG A 5 -0.661 -4.335 15.229 1.00 53.32 N ATOM 0 H ARG A 5 -1.014 -1.285 7.239 1.00 70.40 H new ATOM 0 HA ARG A 5 1.205 -1.811 9.128 1.00 3.05 H new ATOM 0 HB2 ARG A 5 -1.237 -1.896 9.929 1.00 2.41 H new ATOM 0 HB3 ARG A 5 -1.437 -3.288 8.883 1.00 2.41 H new ATOM 0 HG2 ARG A 5 0.177 -4.573 10.128 1.00 65.42 H new ATOM 0 HG3 ARG A 5 0.709 -3.163 11.024 1.00 65.42 H new ATOM 0 HD2 ARG A 5 -1.890 -3.068 11.701 1.00 33.41 H new ATOM 0 HD3 ARG A 5 -1.803 -4.779 11.334 1.00 33.41 H new ATOM 0 HE ARG A 5 0.383 -4.407 12.974 1.00 34.21 H new ATOM 0 HH11 ARG A 5 -3.045 -3.600 13.195 1.00 51.35 H new ATOM 0 HH12 ARG A 5 -3.082 -3.730 14.956 1.00 51.35 H new ATOM 0 HH21 ARG A 5 0.330 -4.575 15.234 1.00 53.32 H new ATOM 0 HH22 ARG A 5 -1.177 -4.280 16.107 1.00 53.32 H new ATOM 83 N TYR A 6 1.822 -4.083 8.128 1.00 1.44 N ATOM 84 CA TYR A 6 2.395 -5.181 7.359 1.00 75.31 C ATOM 85 C TYR A 6 2.360 -6.481 8.156 1.00 32.12 C ATOM 86 O TYR A 6 2.748 -6.518 9.324 1.00 73.23 O ATOM 87 CB TYR A 6 3.835 -4.853 6.960 1.00 4.24 C ATOM 88 CG TYR A 6 3.980 -3.525 6.252 1.00 11.21 C ATOM 89 CD1 TYR A 6 3.057 -3.120 5.295 1.00 44.42 C ATOM 90 CD2 TYR A 6 5.040 -2.674 6.540 1.00 72.12 C ATOM 91 CE1 TYR A 6 3.185 -1.908 4.646 1.00 64.34 C ATOM 92 CE2 TYR A 6 5.176 -1.459 5.897 1.00 71.44 C ATOM 93 CZ TYR A 6 4.246 -1.081 4.950 1.00 73.44 C ATOM 94 OH TYR A 6 4.379 0.128 4.306 1.00 5.34 O ATOM 0 H TYR A 6 2.204 -3.982 9.068 1.00 1.44 H new ATOM 0 HA TYR A 6 1.795 -5.313 6.458 1.00 75.31 H new ATOM 0 HB2 TYR A 6 4.459 -4.849 7.854 1.00 4.24 H new ATOM 0 HB3 TYR A 6 4.213 -5.644 6.312 1.00 4.24 H new ATOM 0 HD1 TYR A 6 2.225 -3.765 5.055 1.00 44.42 H new ATOM 0 HD2 TYR A 6 5.770 -2.968 7.279 1.00 72.12 H new ATOM 0 HE1 TYR A 6 2.459 -1.609 3.905 1.00 64.34 H new ATOM 0 HE2 TYR A 6 6.005 -0.809 6.134 1.00 71.44 H new ATOM 0 HH TYR A 6 4.517 0.838 4.968 1.00 5.34 H new ATOM 103 N TYR A 7 1.891 -7.546 7.516 1.00 23.10 N ATOM 104 CA TYR A 7 1.802 -8.850 8.164 1.00 75.34 C ATOM 105 C TYR A 7 3.056 -9.678 7.896 1.00 21.23 C ATOM 106 O TYR A 7 3.987 -9.219 7.235 1.00 33.32 O ATOM 107 CB TYR A 7 0.565 -9.604 7.673 1.00 74.05 C ATOM 108 CG TYR A 7 -0.625 -9.478 8.597 1.00 34.12 C ATOM 109 CD1 TYR A 7 -1.203 -8.240 8.854 1.00 63.10 C ATOM 110 CD2 TYR A 7 -1.173 -10.597 9.213 1.00 21.55 C ATOM 111 CE1 TYR A 7 -2.290 -8.121 9.697 1.00 0.12 C ATOM 112 CE2 TYR A 7 -2.261 -10.487 10.057 1.00 62.10 C ATOM 113 CZ TYR A 7 -2.816 -9.247 10.296 1.00 23.15 C ATOM 114 OH TYR A 7 -3.900 -9.133 11.136 1.00 74.40 O ATOM 0 H TYR A 7 1.566 -7.533 6.549 1.00 23.10 H new ATOM 0 HA TYR A 7 1.718 -8.688 9.239 1.00 75.34 H new ATOM 0 HB2 TYR A 7 0.290 -9.231 6.686 1.00 74.05 H new ATOM 0 HB3 TYR A 7 0.815 -10.659 7.557 1.00 74.05 H new ATOM 0 HD1 TYR A 7 -0.795 -7.356 8.386 1.00 63.10 H new ATOM 0 HD2 TYR A 7 -0.741 -11.569 9.029 1.00 21.55 H new ATOM 0 HE1 TYR A 7 -2.726 -7.151 9.887 1.00 0.12 H new ATOM 0 HE2 TYR A 7 -2.675 -11.367 10.527 1.00 62.10 H new ATOM 0 HH TYR A 7 -4.653 -9.641 10.769 1.00 74.40 H new ATOM 123 N ALA A 8 3.070 -10.902 8.413 1.00 21.13 N ATOM 124 CA ALA A 8 4.205 -11.797 8.228 1.00 75.24 C ATOM 125 C ALA A 8 4.575 -11.917 6.753 1.00 2.01 C ATOM 126 O ALA A 8 5.735 -12.141 6.408 1.00 52.43 O ATOM 127 CB ALA A 8 3.899 -13.168 8.811 1.00 50.11 C ATOM 0 H ALA A 8 2.307 -11.297 8.964 1.00 21.13 H new ATOM 0 HA ALA A 8 5.059 -11.373 8.757 1.00 75.24 H new ATOM 0 HB1 ALA A 8 4.756 -13.825 8.665 1.00 50.11 H new ATOM 0 HB2 ALA A 8 3.693 -13.072 9.877 1.00 50.11 H new ATOM 0 HB3 ALA A 8 3.028 -13.591 8.309 1.00 50.11 H new ATOM 133 N THR A 9 3.579 -11.769 5.885 1.00 73.12 N ATOM 134 CA THR A 9 3.799 -11.864 4.447 1.00 31.33 C ATOM 135 C THR A 9 4.664 -10.713 3.946 1.00 42.35 C ATOM 136 O THR A 9 5.452 -10.876 3.013 1.00 20.34 O ATOM 137 CB THR A 9 2.466 -11.863 3.674 1.00 32.03 C ATOM 138 OG1 THR A 9 1.483 -11.110 4.393 1.00 70.32 O ATOM 139 CG2 THR A 9 1.965 -13.283 3.457 1.00 43.24 C ATOM 0 H THR A 9 2.612 -11.583 6.153 1.00 73.12 H new ATOM 0 HA THR A 9 4.315 -12.807 4.268 1.00 31.33 H new ATOM 0 HB THR A 9 2.636 -11.402 2.701 1.00 32.03 H new ATOM 0 HG1 THR A 9 0.639 -11.113 3.894 1.00 70.32 H new ATOM 0 HG21 THR A 9 1.023 -13.257 2.909 1.00 43.24 H new ATOM 0 HG22 THR A 9 2.702 -13.845 2.884 1.00 43.24 H new ATOM 0 HG23 THR A 9 1.810 -13.766 4.422 1.00 43.24 H new ATOM 147 N LEU A 10 4.515 -9.551 4.572 1.00 24.51 N ATOM 148 CA LEU A 10 5.284 -8.372 4.189 1.00 62.03 C ATOM 149 C LEU A 10 6.469 -8.167 5.128 1.00 23.41 C ATOM 150 O LEU A 10 7.312 -7.300 4.900 1.00 21.21 O ATOM 151 CB LEU A 10 4.391 -7.130 4.198 1.00 61.23 C ATOM 152 CG LEU A 10 3.445 -6.976 3.006 1.00 54.41 C ATOM 153 CD1 LEU A 10 2.426 -5.879 3.274 1.00 42.52 C ATOM 154 CD2 LEU A 10 4.230 -6.679 1.737 1.00 0.40 C ATOM 0 H LEU A 10 3.869 -9.400 5.347 1.00 24.51 H new ATOM 0 HA LEU A 10 5.666 -8.530 3.180 1.00 62.03 H new ATOM 0 HB2 LEU A 10 3.795 -7.142 5.110 1.00 61.23 H new ATOM 0 HB3 LEU A 10 5.030 -6.248 4.246 1.00 61.23 H new ATOM 0 HG LEU A 10 2.910 -7.915 2.866 1.00 54.41 H new ATOM 0 HD11 LEU A 10 1.761 -5.783 2.416 1.00 42.52 H new ATOM 0 HD12 LEU A 10 1.842 -6.133 4.159 1.00 42.52 H new ATOM 0 HD13 LEU A 10 2.944 -4.934 3.440 1.00 42.52 H new ATOM 0 HD21 LEU A 10 3.541 -6.573 0.899 1.00 0.40 H new ATOM 0 HD22 LEU A 10 4.791 -5.754 1.865 1.00 0.40 H new ATOM 0 HD23 LEU A 10 4.921 -7.498 1.537 1.00 0.40 H new ATOM 165 N ARG A 11 6.528 -8.973 6.183 1.00 44.30 N ATOM 166 CA ARG A 11 7.609 -8.881 7.156 1.00 72.20 C ATOM 167 C ARG A 11 8.968 -8.892 6.462 1.00 25.03 C ATOM 168 O ARG A 11 9.756 -7.953 6.568 1.00 10.45 O ATOM 169 CB ARG A 11 7.525 -10.035 8.155 1.00 45.44 C ATOM 170 CG ARG A 11 7.330 -9.584 9.593 1.00 40.23 C ATOM 171 CD ARG A 11 6.102 -8.698 9.737 1.00 71.14 C ATOM 172 NE ARG A 11 5.195 -9.185 10.773 1.00 32.24 N ATOM 173 CZ ARG A 11 5.404 -9.014 12.073 1.00 15.22 C ATOM 174 NH1 ARG A 11 6.485 -8.372 12.495 1.00 43.43 N ATOM 175 NH2 ARG A 11 4.531 -9.486 12.955 1.00 74.43 N ATOM 0 H ARG A 11 5.839 -9.697 6.386 1.00 44.30 H new ATOM 0 HA ARG A 11 7.502 -7.938 7.692 1.00 72.20 H new ATOM 0 HB2 ARG A 11 6.699 -10.689 7.873 1.00 45.44 H new ATOM 0 HB3 ARG A 11 8.437 -10.628 8.090 1.00 45.44 H new ATOM 0 HG2 ARG A 11 7.228 -10.456 10.239 1.00 40.23 H new ATOM 0 HG3 ARG A 11 8.213 -9.041 9.928 1.00 40.23 H new ATOM 0 HD2 ARG A 11 6.414 -7.682 9.977 1.00 71.14 H new ATOM 0 HD3 ARG A 11 5.574 -8.653 8.785 1.00 71.14 H new ATOM 0 HE ARG A 11 4.354 -9.684 10.482 1.00 32.24 H new ATOM 0 HH11 ARG A 11 7.158 -8.008 11.820 1.00 43.43 H new ATOM 0 HH12 ARG A 11 6.643 -8.242 13.494 1.00 43.43 H new ATOM 0 HH21 ARG A 11 3.699 -9.981 12.634 1.00 74.43 H new ATOM 0 HH22 ARG A 11 4.693 -9.354 13.953 1.00 74.43 H new ATOM 186 N PRO A 12 9.250 -9.982 5.733 1.00 64.31 N ATOM 187 CA PRO A 12 10.513 -10.144 5.006 1.00 42.11 C ATOM 188 C PRO A 12 10.621 -9.199 3.815 1.00 21.45 C ATOM 189 O PRO A 12 11.073 -9.592 2.738 1.00 21.14 O ATOM 190 CB PRO A 12 10.467 -11.599 4.533 1.00 71.33 C ATOM 191 CG PRO A 12 9.016 -11.928 4.462 1.00 21.31 C ATOM 192 CD PRO A 12 8.359 -11.142 5.561 1.00 4.21 C ATOM 0 HA PRO A 12 11.376 -9.913 5.631 1.00 42.11 H new ATOM 0 HB2 PRO A 12 10.947 -11.715 3.561 1.00 71.33 H new ATOM 0 HB3 PRO A 12 10.989 -12.258 5.227 1.00 71.33 H new ATOM 0 HG2 PRO A 12 8.602 -11.660 3.490 1.00 21.31 H new ATOM 0 HG3 PRO A 12 8.851 -12.997 4.595 1.00 21.31 H new ATOM 0 HD2 PRO A 12 7.349 -10.836 5.287 1.00 4.21 H new ATOM 0 HD3 PRO A 12 8.277 -11.725 6.478 1.00 4.21 H new ATOM 197 N ILE A 13 10.203 -7.953 4.013 1.00 62.52 N ATOM 198 CA ILE A 13 10.256 -6.953 2.954 1.00 1.13 C ATOM 199 C ILE A 13 10.569 -5.571 3.518 1.00 61.52 C ATOM 200 O ILE A 13 11.358 -4.819 2.944 1.00 53.41 O ATOM 201 CB ILE A 13 8.928 -6.887 2.176 1.00 42.12 C ATOM 202 CG1 ILE A 13 8.407 -8.298 1.893 1.00 72.25 C ATOM 203 CG2 ILE A 13 9.111 -6.114 0.879 1.00 73.12 C ATOM 204 CD1 ILE A 13 7.142 -8.320 1.063 1.00 62.54 C ATOM 0 H ILE A 13 9.824 -7.612 4.897 1.00 62.52 H new ATOM 0 HA ILE A 13 11.053 -7.255 2.274 1.00 1.13 H new ATOM 0 HB ILE A 13 8.192 -6.364 2.787 1.00 42.12 H new ATOM 0 HG12 ILE A 13 9.181 -8.865 1.376 1.00 72.25 H new ATOM 0 HG13 ILE A 13 8.219 -8.804 2.840 1.00 72.25 H new ATOM 0 HG21 ILE A 13 8.164 -6.076 0.341 1.00 73.12 H new ATOM 0 HG22 ILE A 13 9.441 -5.100 1.103 1.00 73.12 H new ATOM 0 HG23 ILE A 13 9.859 -6.611 0.262 1.00 73.12 H new ATOM 0 HD11 ILE A 13 6.831 -9.352 0.902 1.00 62.54 H new ATOM 0 HD12 ILE A 13 6.353 -7.781 1.588 1.00 62.54 H new ATOM 0 HD13 ILE A 13 7.330 -7.843 0.101 1.00 62.54 H new ATOM 215 N THR A 14 9.950 -5.243 4.648 1.00 24.11 N ATOM 216 CA THR A 14 10.163 -3.954 5.290 1.00 34.14 C ATOM 217 C THR A 14 11.033 -4.097 6.534 1.00 15.30 C ATOM 218 O THR A 14 11.623 -3.124 7.007 1.00 2.05 O ATOM 219 CB THR A 14 8.828 -3.293 5.683 1.00 5.33 C ATOM 220 OG1 THR A 14 7.824 -3.600 4.709 1.00 61.11 O ATOM 221 CG2 THR A 14 8.984 -1.785 5.801 1.00 61.02 C ATOM 0 H THR A 14 9.296 -5.854 5.137 1.00 24.11 H new ATOM 0 HA THR A 14 10.673 -3.320 4.564 1.00 34.14 H new ATOM 0 HB THR A 14 8.525 -3.687 6.653 1.00 5.33 H new ATOM 0 HG1 THR A 14 6.939 -3.392 5.075 1.00 61.11 H new ATOM 0 HG21 THR A 14 8.028 -1.341 6.079 1.00 61.02 H new ATOM 0 HG22 THR A 14 9.727 -1.555 6.564 1.00 61.02 H new ATOM 0 HG23 THR A 14 9.309 -1.377 4.844 1.00 61.02 H new ATOM 229 N LYS A 15 11.108 -5.314 7.060 1.00 55.35 N ATOM 230 CA LYS A 15 11.908 -5.585 8.250 1.00 25.13 C ATOM 231 C LYS A 15 11.772 -4.455 9.265 1.00 53.12 C ATOM 232 O LYS A 15 12.745 -4.072 9.917 1.00 53.02 O ATOM 233 CB LYS A 15 13.378 -5.771 7.869 1.00 74.12 C ATOM 234 CG LYS A 15 14.022 -4.517 7.304 1.00 73.04 C ATOM 235 CD LYS A 15 15.539 -4.590 7.373 1.00 14.11 C ATOM 236 CE LYS A 15 16.113 -5.366 6.198 1.00 31.30 C ATOM 237 NZ LYS A 15 17.510 -4.951 5.889 1.00 12.34 N ATOM 0 H LYS A 15 10.625 -6.129 6.682 1.00 55.35 H new ATOM 0 HA LYS A 15 11.539 -6.504 8.705 1.00 25.13 H new ATOM 0 HB2 LYS A 15 13.935 -6.091 8.749 1.00 74.12 H new ATOM 0 HB3 LYS A 15 13.456 -6.572 7.134 1.00 74.12 H new ATOM 0 HG2 LYS A 15 13.710 -4.381 6.268 1.00 73.04 H new ATOM 0 HG3 LYS A 15 13.673 -3.646 7.859 1.00 73.04 H new ATOM 0 HD2 LYS A 15 15.953 -3.582 7.382 1.00 14.11 H new ATOM 0 HD3 LYS A 15 15.839 -5.066 8.306 1.00 14.11 H new ATOM 0 HE2 LYS A 15 16.092 -6.433 6.422 1.00 31.30 H new ATOM 0 HE3 LYS A 15 15.486 -5.212 5.320 1.00 31.30 H new ATOM 0 HZ1 LYS A 15 17.866 -5.503 5.082 1.00 12.34 H new ATOM 0 HZ2 LYS A 15 17.527 -3.939 5.650 1.00 12.34 H new ATOM 0 HZ3 LYS A 15 18.114 -5.121 6.718 1.00 12.34 H new ATOM 247 N LYS A 16 10.561 -3.926 9.397 1.00 11.51 N ATOM 248 CA LYS A 16 10.297 -2.842 10.336 1.00 52.22 C ATOM 249 C LYS A 16 8.894 -2.958 10.922 1.00 23.04 C ATOM 250 O LYS A 16 8.155 -3.892 10.609 1.00 40.30 O ATOM 251 CB LYS A 16 10.461 -1.487 9.643 1.00 64.41 C ATOM 252 CG LYS A 16 11.901 -1.010 9.573 1.00 23.02 C ATOM 253 CD LYS A 16 12.330 -0.340 10.868 1.00 24.20 C ATOM 254 CE LYS A 16 13.066 -1.310 11.779 1.00 65.02 C ATOM 255 NZ LYS A 16 14.530 -1.041 11.809 1.00 22.23 N ATOM 0 H LYS A 16 9.746 -4.230 8.865 1.00 11.51 H new ATOM 0 HA LYS A 16 11.019 -2.917 11.149 1.00 52.22 H new ATOM 0 HB2 LYS A 16 10.060 -1.555 8.632 1.00 64.41 H new ATOM 0 HB3 LYS A 16 9.866 -0.743 10.173 1.00 64.41 H new ATOM 0 HG2 LYS A 16 12.556 -1.856 9.366 1.00 23.02 H new ATOM 0 HG3 LYS A 16 12.013 -0.310 8.745 1.00 23.02 H new ATOM 0 HD2 LYS A 16 12.974 0.510 10.643 1.00 24.20 H new ATOM 0 HD3 LYS A 16 11.454 0.052 11.384 1.00 24.20 H new ATOM 0 HE2 LYS A 16 12.663 -1.237 12.789 1.00 65.02 H new ATOM 0 HE3 LYS A 16 12.891 -2.331 11.439 1.00 65.02 H new ATOM 0 HZ1 LYS A 16 14.995 -1.723 12.441 1.00 22.23 H new ATOM 0 HZ2 LYS A 16 14.920 -1.136 10.850 1.00 22.23 H new ATOM 0 HZ3 LYS A 16 14.699 -0.076 12.157 1.00 22.23 H new ATOM 265 N LYS A 17 8.532 -2.004 11.773 1.00 43.31 N ATOM 266 CA LYS A 17 7.216 -1.998 12.401 1.00 14.13 C ATOM 267 C LYS A 17 6.240 -1.132 11.611 1.00 31.34 C ATOM 268 O LYS A 17 6.525 -0.733 10.482 1.00 32.23 O ATOM 269 CB LYS A 17 7.317 -1.486 13.840 1.00 61.11 C ATOM 270 CG LYS A 17 7.637 -0.005 13.938 1.00 22.35 C ATOM 271 CD LYS A 17 7.610 0.477 15.379 1.00 21.41 C ATOM 272 CE LYS A 17 8.796 -0.058 16.168 1.00 30.42 C ATOM 273 NZ LYS A 17 8.711 0.304 17.610 1.00 35.54 N ATOM 0 H LYS A 17 9.132 -1.225 12.044 1.00 43.31 H new ATOM 0 HA LYS A 17 6.841 -3.022 12.411 1.00 14.13 H new ATOM 0 HB2 LYS A 17 6.375 -1.680 14.353 1.00 61.11 H new ATOM 0 HB3 LYS A 17 8.088 -2.051 14.364 1.00 61.11 H new ATOM 0 HG2 LYS A 17 8.621 0.185 13.508 1.00 22.35 H new ATOM 0 HG3 LYS A 17 6.917 0.564 13.350 1.00 22.35 H new ATOM 0 HD2 LYS A 17 7.620 1.567 15.400 1.00 21.41 H new ATOM 0 HD3 LYS A 17 6.682 0.158 15.853 1.00 21.41 H new ATOM 0 HE2 LYS A 17 8.840 -1.143 16.068 1.00 30.42 H new ATOM 0 HE3 LYS A 17 9.720 0.338 15.748 1.00 30.42 H new ATOM 0 HZ1 LYS A 17 9.537 -0.079 18.113 1.00 35.54 H new ATOM 0 HZ2 LYS A 17 8.695 1.339 17.708 1.00 35.54 H new ATOM 0 HZ3 LYS A 17 7.842 -0.096 18.018 1.00 35.54 H new ATOM 283 N GLU A 18 5.089 -0.845 12.211 1.00 51.43 N ATOM 284 CA GLU A 18 4.073 -0.026 11.562 1.00 13.10 C ATOM 285 C GLU A 18 3.994 1.356 12.206 1.00 40.02 C ATOM 286 O GLU A 18 4.144 1.495 13.420 1.00 22.42 O ATOM 287 CB GLU A 18 2.708 -0.713 11.636 1.00 41.42 C ATOM 288 CG GLU A 18 1.551 0.187 11.237 1.00 0.42 C ATOM 289 CD GLU A 18 0.887 0.848 12.429 1.00 54.04 C ATOM 290 OE1 GLU A 18 0.788 0.198 13.491 1.00 72.22 O ATOM 291 OE2 GLU A 18 0.468 2.018 12.300 1.00 2.42 O ATOM 0 H GLU A 18 4.837 -1.168 13.145 1.00 51.43 H new ATOM 0 HA GLU A 18 4.355 0.095 10.516 1.00 13.10 H new ATOM 0 HB2 GLU A 18 2.716 -1.589 10.988 1.00 41.42 H new ATOM 0 HB3 GLU A 18 2.545 -1.070 12.653 1.00 41.42 H new ATOM 0 HG2 GLU A 18 1.913 0.956 10.555 1.00 0.42 H new ATOM 0 HG3 GLU A 18 0.811 -0.399 10.693 1.00 0.42 H new ATOM 296 N GLU A 19 3.759 2.373 11.383 1.00 55.24 N ATOM 297 CA GLU A 19 3.663 3.743 11.872 1.00 72.42 C ATOM 298 C GLU A 19 2.839 4.605 10.920 1.00 63.40 C ATOM 299 O GLU A 19 2.617 4.236 9.765 1.00 75.41 O ATOM 300 CB GLU A 19 5.059 4.347 12.044 1.00 62.42 C ATOM 301 CG GLU A 19 5.765 3.896 13.312 1.00 13.14 C ATOM 302 CD GLU A 19 4.926 4.116 14.556 1.00 5.14 C ATOM 303 OE1 GLU A 19 4.179 5.117 14.598 1.00 44.12 O ATOM 304 OE2 GLU A 19 5.016 3.288 15.486 1.00 4.44 O ATOM 0 H GLU A 19 3.632 2.274 10.376 1.00 55.24 H new ATOM 0 HA GLU A 19 3.163 3.720 12.840 1.00 72.42 H new ATOM 0 HB2 GLU A 19 5.671 4.079 11.183 1.00 62.42 H new ATOM 0 HB3 GLU A 19 4.977 5.434 12.051 1.00 62.42 H new ATOM 0 HG2 GLU A 19 6.014 2.838 13.228 1.00 13.14 H new ATOM 0 HG3 GLU A 19 6.706 4.438 13.412 1.00 13.14 H new ATOM 309 N THR A 20 2.386 5.754 11.411 1.00 5.42 N ATOM 310 CA THR A 20 1.585 6.667 10.606 1.00 25.23 C ATOM 311 C THR A 20 2.392 7.893 10.196 1.00 40.14 C ATOM 312 O THR A 20 3.107 8.477 11.011 1.00 61.32 O ATOM 313 CB THR A 20 0.325 7.125 11.363 1.00 14.14 C ATOM 314 OG1 THR A 20 0.667 7.500 12.702 1.00 71.33 O ATOM 315 CG2 THR A 20 -0.723 6.023 11.392 1.00 61.44 C ATOM 0 H THR A 20 2.561 6.075 12.363 1.00 5.42 H new ATOM 0 HA THR A 20 1.284 6.119 9.713 1.00 25.23 H new ATOM 0 HB THR A 20 -0.092 7.985 10.840 1.00 14.14 H new ATOM 0 HG1 THR A 20 -0.140 7.792 13.176 1.00 71.33 H new ATOM 0 HG21 THR A 20 -1.603 6.372 11.932 1.00 61.44 H new ATOM 0 HG22 THR A 20 -1.004 5.761 10.372 1.00 61.44 H new ATOM 0 HG23 THR A 20 -0.314 5.145 11.892 1.00 61.44 H new ATOM 323 N PHE A 21 2.275 8.278 8.930 1.00 61.31 N ATOM 324 CA PHE A 21 2.995 9.435 8.413 1.00 20.44 C ATOM 325 C PHE A 21 2.057 10.362 7.646 1.00 25.43 C ATOM 326 O PHE A 21 1.136 9.907 6.968 1.00 4.35 O ATOM 327 CB PHE A 21 4.141 8.985 7.503 1.00 41.52 C ATOM 328 CG PHE A 21 5.159 10.058 7.245 1.00 10.52 C ATOM 329 CD1 PHE A 21 5.783 10.707 8.298 1.00 74.11 C ATOM 330 CD2 PHE A 21 5.491 10.418 5.949 1.00 73.02 C ATOM 331 CE1 PHE A 21 6.719 11.697 8.064 1.00 24.41 C ATOM 332 CE2 PHE A 21 6.428 11.407 5.708 1.00 4.25 C ATOM 333 CZ PHE A 21 7.043 12.045 6.767 1.00 74.13 C ATOM 0 H PHE A 21 1.688 7.805 8.243 1.00 61.31 H new ATOM 0 HA PHE A 21 3.406 9.983 9.261 1.00 20.44 H new ATOM 0 HB2 PHE A 21 4.637 8.126 7.955 1.00 41.52 H new ATOM 0 HB3 PHE A 21 3.728 8.651 6.551 1.00 41.52 H new ATOM 0 HD1 PHE A 21 5.535 10.436 9.314 1.00 74.11 H new ATOM 0 HD2 PHE A 21 5.013 9.921 5.118 1.00 73.02 H new ATOM 0 HE1 PHE A 21 7.196 12.197 8.894 1.00 24.41 H new ATOM 0 HE2 PHE A 21 6.678 11.680 4.693 1.00 4.25 H new ATOM 0 HZ PHE A 21 7.777 12.815 6.581 1.00 74.13 H new ATOM 342 N ASN A 22 2.298 11.663 7.757 1.00 12.03 N ATOM 343 CA ASN A 22 1.474 12.656 7.076 1.00 63.31 C ATOM 344 C ASN A 22 2.091 13.046 5.736 1.00 21.31 C ATOM 345 O ASN A 22 3.277 12.825 5.499 1.00 31.30 O ATOM 346 CB ASN A 22 1.303 13.897 7.952 1.00 54.45 C ATOM 347 CG ASN A 22 2.563 14.739 8.014 1.00 13.44 C ATOM 348 OD1 ASN A 22 2.855 15.507 7.098 1.00 43.20 O ATOM 349 ND2 ASN A 22 3.315 14.599 9.100 1.00 61.23 N ATOM 0 H ASN A 22 3.058 12.056 8.313 1.00 12.03 H new ATOM 0 HA ASN A 22 0.495 12.214 6.891 1.00 63.31 H new ATOM 0 HB2 ASN A 22 0.484 14.502 7.564 1.00 54.45 H new ATOM 0 HB3 ASN A 22 1.024 13.591 8.960 1.00 54.45 H new ATOM 0 HD21 ASN A 22 4.174 15.141 9.199 1.00 61.23 H new ATOM 0 HD22 ASN A 22 3.034 13.950 9.835 1.00 61.23 H new ATOM 355 N GLY A 23 1.275 13.630 4.863 1.00 53.02 N ATOM 356 CA GLY A 23 1.758 14.044 3.559 1.00 64.42 C ATOM 357 C GLY A 23 0.821 13.637 2.438 1.00 62.54 C ATOM 358 O GLY A 23 -0.097 14.378 2.088 1.00 42.30 O ATOM 0 H GLY A 23 0.289 13.823 5.036 1.00 53.02 H new ATOM 0 HA2 GLY A 23 1.884 15.127 3.548 1.00 64.42 H new ATOM 0 HA3 GLY A 23 2.741 13.607 3.383 1.00 64.42 H new ATOM 362 N ILE A 24 1.055 12.456 1.874 1.00 11.04 N ATOM 363 CA ILE A 24 0.225 11.953 0.786 1.00 13.42 C ATOM 364 C ILE A 24 -1.196 11.671 1.263 1.00 53.23 C ATOM 365 O ILE A 24 -1.399 11.088 2.328 1.00 1.23 O ATOM 366 CB ILE A 24 0.814 10.667 0.177 1.00 51.22 C ATOM 367 CG1 ILE A 24 2.203 10.941 -0.403 1.00 32.33 C ATOM 368 CG2 ILE A 24 -0.114 10.114 -0.894 1.00 54.21 C ATOM 369 CD1 ILE A 24 2.214 12.029 -1.455 1.00 12.11 C ATOM 0 H ILE A 24 1.811 11.831 2.152 1.00 11.04 H new ATOM 0 HA ILE A 24 0.202 12.730 0.022 1.00 13.42 H new ATOM 0 HB ILE A 24 0.911 9.921 0.966 1.00 51.22 H new ATOM 0 HG12 ILE A 24 2.877 11.222 0.406 1.00 32.33 H new ATOM 0 HG13 ILE A 24 2.594 10.021 -0.839 1.00 32.33 H new ATOM 0 HG21 ILE A 24 0.317 9.205 -1.315 1.00 54.21 H new ATOM 0 HG22 ILE A 24 -1.084 9.885 -0.452 1.00 54.21 H new ATOM 0 HG23 ILE A 24 -0.240 10.855 -1.684 1.00 54.21 H new ATOM 0 HD11 ILE A 24 3.231 12.170 -1.822 1.00 12.11 H new ATOM 0 HD12 ILE A 24 1.566 11.741 -2.283 1.00 12.11 H new ATOM 0 HD13 ILE A 24 1.853 12.961 -1.019 1.00 12.11 H new ATOM 380 N SER A 25 -2.175 12.090 0.468 1.00 62.15 N ATOM 381 CA SER A 25 -3.578 11.884 0.810 1.00 34.30 C ATOM 382 C SER A 25 -4.316 11.179 -0.324 1.00 34.55 C ATOM 383 O SER A 25 -5.504 11.413 -0.548 1.00 31.21 O ATOM 384 CB SER A 25 -4.251 13.223 1.118 1.00 31.33 C ATOM 385 OG SER A 25 -3.915 14.198 0.144 1.00 11.50 O ATOM 0 H SER A 25 -2.023 12.574 -0.417 1.00 62.15 H new ATOM 0 HA SER A 25 -3.622 11.251 1.696 1.00 34.30 H new ATOM 0 HB2 SER A 25 -5.333 13.092 1.148 1.00 31.33 H new ATOM 0 HB3 SER A 25 -3.944 13.569 2.105 1.00 31.33 H new ATOM 0 HG SER A 25 -4.359 15.044 0.362 1.00 11.50 H new ATOM 390 N LYS A 26 -3.602 10.316 -1.040 1.00 4.04 N ATOM 391 CA LYS A 26 -4.188 9.575 -2.151 1.00 73.22 C ATOM 392 C LYS A 26 -3.493 8.229 -2.334 1.00 14.52 C ATOM 393 O LYS A 26 -2.323 8.072 -1.984 1.00 31.42 O ATOM 394 CB LYS A 26 -4.090 10.391 -3.442 1.00 72.31 C ATOM 395 CG LYS A 26 -5.223 10.124 -4.418 1.00 44.04 C ATOM 396 CD LYS A 26 -5.460 11.311 -5.336 1.00 3.12 C ATOM 397 CE LYS A 26 -6.216 12.423 -4.625 1.00 51.45 C ATOM 398 NZ LYS A 26 -6.078 13.726 -5.331 1.00 13.33 N ATOM 0 H LYS A 26 -2.617 10.113 -0.871 1.00 4.04 H new ATOM 0 HA LYS A 26 -5.238 9.394 -1.921 1.00 73.22 H new ATOM 0 HB2 LYS A 26 -4.080 11.452 -3.192 1.00 72.31 H new ATOM 0 HB3 LYS A 26 -3.141 10.170 -3.931 1.00 72.31 H new ATOM 0 HG2 LYS A 26 -4.990 9.242 -5.015 1.00 44.04 H new ATOM 0 HG3 LYS A 26 -6.136 9.903 -3.865 1.00 44.04 H new ATOM 0 HD2 LYS A 26 -4.504 11.691 -5.695 1.00 3.12 H new ATOM 0 HD3 LYS A 26 -6.024 10.988 -6.212 1.00 3.12 H new ATOM 0 HE2 LYS A 26 -7.271 12.158 -4.555 1.00 51.45 H new ATOM 0 HE3 LYS A 26 -5.844 12.521 -3.605 1.00 51.45 H new ATOM 0 HZ1 LYS A 26 -6.607 14.458 -4.815 1.00 13.33 H new ATOM 0 HZ2 LYS A 26 -5.074 13.992 -5.376 1.00 13.33 H new ATOM 0 HZ3 LYS A 26 -6.457 13.640 -6.296 1.00 13.33 H new ATOM 408 N ILE A 27 -4.221 7.263 -2.883 1.00 42.43 N ATOM 409 CA ILE A 27 -3.673 5.932 -3.113 1.00 63.32 C ATOM 410 C ILE A 27 -2.669 5.942 -4.261 1.00 24.22 C ATOM 411 O ILE A 27 -1.768 5.105 -4.319 1.00 33.13 O ATOM 412 CB ILE A 27 -4.784 4.912 -3.427 1.00 54.03 C ATOM 413 CG1 ILE A 27 -5.712 4.750 -2.221 1.00 13.00 C ATOM 414 CG2 ILE A 27 -4.178 3.573 -3.819 1.00 20.31 C ATOM 415 CD1 ILE A 27 -5.040 4.125 -1.020 1.00 71.24 C ATOM 0 H ILE A 27 -5.191 7.377 -3.177 1.00 42.43 H new ATOM 0 HA ILE A 27 -3.168 5.636 -2.194 1.00 63.32 H new ATOM 0 HB ILE A 27 -5.371 5.283 -4.267 1.00 54.03 H new ATOM 0 HG12 ILE A 27 -6.103 5.728 -1.940 1.00 13.00 H new ATOM 0 HG13 ILE A 27 -6.565 4.136 -2.510 1.00 13.00 H new ATOM 0 HG21 ILE A 27 -4.975 2.863 -4.038 1.00 20.31 H new ATOM 0 HG22 ILE A 27 -3.553 3.701 -4.703 1.00 20.31 H new ATOM 0 HG23 ILE A 27 -3.570 3.194 -2.997 1.00 20.31 H new ATOM 0 HD11 ILE A 27 -5.758 4.041 -0.204 1.00 71.24 H new ATOM 0 HD12 ILE A 27 -4.673 3.133 -1.284 1.00 71.24 H new ATOM 0 HD13 ILE A 27 -4.204 4.749 -0.705 1.00 71.24 H new ATOM 426 N SER A 28 -2.830 6.896 -5.172 1.00 33.20 N ATOM 427 CA SER A 28 -1.939 7.015 -6.320 1.00 24.33 C ATOM 428 C SER A 28 -0.513 7.320 -5.872 1.00 70.15 C ATOM 429 O SER A 28 0.428 6.616 -6.236 1.00 3.15 O ATOM 430 CB SER A 28 -2.434 8.110 -7.266 1.00 34.13 C ATOM 431 OG SER A 28 -2.028 7.856 -8.599 1.00 21.05 O ATOM 0 H SER A 28 -3.569 7.598 -5.137 1.00 33.20 H new ATOM 0 HA SER A 28 -1.939 6.062 -6.848 1.00 24.33 H new ATOM 0 HB2 SER A 28 -3.521 8.171 -7.219 1.00 34.13 H new ATOM 0 HB3 SER A 28 -2.047 9.076 -6.943 1.00 34.13 H new ATOM 0 HG SER A 28 -2.359 8.570 -9.183 1.00 21.05 H new ATOM 436 N GLU A 29 -0.362 8.376 -5.079 1.00 14.31 N ATOM 437 CA GLU A 29 0.950 8.776 -4.581 1.00 4.14 C ATOM 438 C GLU A 29 1.423 7.833 -3.479 1.00 50.41 C ATOM 439 O GLU A 29 2.624 7.619 -3.303 1.00 1.54 O ATOM 440 CB GLU A 29 0.904 10.212 -4.055 1.00 61.41 C ATOM 441 CG GLU A 29 0.977 11.264 -5.149 1.00 44.34 C ATOM 442 CD GLU A 29 -0.164 11.153 -6.142 1.00 70.31 C ATOM 443 OE1 GLU A 29 -1.268 11.648 -5.836 1.00 12.14 O ATOM 444 OE2 GLU A 29 0.049 10.570 -7.226 1.00 22.41 O ATOM 0 H GLU A 29 -1.131 8.970 -4.768 1.00 14.31 H new ATOM 0 HA GLU A 29 1.657 8.723 -5.409 1.00 4.14 H new ATOM 0 HB2 GLU A 29 -0.016 10.353 -3.488 1.00 61.41 H new ATOM 0 HB3 GLU A 29 1.732 10.363 -3.362 1.00 61.41 H new ATOM 0 HG2 GLU A 29 0.964 12.255 -4.696 1.00 44.34 H new ATOM 0 HG3 GLU A 29 1.925 11.167 -5.678 1.00 44.34 H new ATOM 449 N LEU A 30 0.473 7.273 -2.738 1.00 32.35 N ATOM 450 CA LEU A 30 0.791 6.353 -1.652 1.00 53.13 C ATOM 451 C LEU A 30 1.394 5.060 -2.193 1.00 0.41 C ATOM 452 O LEU A 30 2.443 4.610 -1.730 1.00 10.43 O ATOM 453 CB LEU A 30 -0.464 6.043 -0.835 1.00 50.21 C ATOM 454 CG LEU A 30 -0.251 5.216 0.433 1.00 3.44 C ATOM 455 CD1 LEU A 30 -0.100 3.742 0.090 1.00 31.45 C ATOM 456 CD2 LEU A 30 0.965 5.714 1.198 1.00 14.12 C ATOM 0 H LEU A 30 -0.525 7.440 -2.870 1.00 32.35 H new ATOM 0 HA LEU A 30 1.527 6.832 -1.006 1.00 53.13 H new ATOM 0 HB2 LEU A 30 -0.933 6.986 -0.555 1.00 50.21 H new ATOM 0 HB3 LEU A 30 -1.169 5.514 -1.476 1.00 50.21 H new ATOM 0 HG LEU A 30 -1.128 5.332 1.070 1.00 3.44 H new ATOM 0 HD11 LEU A 30 0.051 3.169 1.005 1.00 31.45 H new ATOM 0 HD12 LEU A 30 -1.001 3.391 -0.413 1.00 31.45 H new ATOM 0 HD13 LEU A 30 0.759 3.608 -0.568 1.00 31.45 H new ATOM 0 HD21 LEU A 30 1.100 5.113 2.097 1.00 14.12 H new ATOM 0 HD22 LEU A 30 1.851 5.629 0.568 1.00 14.12 H new ATOM 0 HD23 LEU A 30 0.817 6.757 1.478 1.00 14.12 H new ATOM 467 N LEU A 31 0.724 4.468 -3.175 1.00 53.00 N ATOM 468 CA LEU A 31 1.194 3.227 -3.781 1.00 51.00 C ATOM 469 C LEU A 31 2.462 3.463 -4.595 1.00 55.23 C ATOM 470 O LEU A 31 3.393 2.659 -4.558 1.00 72.12 O ATOM 471 CB LEU A 31 0.106 2.629 -4.675 1.00 12.54 C ATOM 472 CG LEU A 31 -0.919 1.734 -3.978 1.00 45.23 C ATOM 473 CD1 LEU A 31 -1.955 1.234 -4.972 1.00 41.12 C ATOM 474 CD2 LEU A 31 -0.227 0.564 -3.293 1.00 15.55 C ATOM 0 H LEU A 31 -0.146 4.827 -3.569 1.00 53.00 H new ATOM 0 HA LEU A 31 1.424 2.526 -2.979 1.00 51.00 H new ATOM 0 HB2 LEU A 31 -0.426 3.446 -5.161 1.00 12.54 H new ATOM 0 HB3 LEU A 31 0.588 2.050 -5.462 1.00 12.54 H new ATOM 0 HG LEU A 31 -1.430 2.324 -3.218 1.00 45.23 H new ATOM 0 HD11 LEU A 31 -2.676 0.599 -4.458 1.00 41.12 H new ATOM 0 HD12 LEU A 31 -2.473 2.084 -5.417 1.00 41.12 H new ATOM 0 HD13 LEU A 31 -1.460 0.660 -5.756 1.00 41.12 H new ATOM 0 HD21 LEU A 31 -0.972 -0.062 -2.802 1.00 15.55 H new ATOM 0 HD22 LEU A 31 0.311 -0.026 -4.035 1.00 15.55 H new ATOM 0 HD23 LEU A 31 0.476 0.941 -2.550 1.00 15.55 H new ATOM 485 N GLU A 32 2.493 4.573 -5.325 1.00 13.43 N ATOM 486 CA GLU A 32 3.648 4.916 -6.146 1.00 13.12 C ATOM 487 C GLU A 32 4.883 5.140 -5.279 1.00 51.32 C ATOM 488 O GLU A 32 5.987 4.727 -5.633 1.00 62.31 O ATOM 489 CB GLU A 32 3.359 6.169 -6.975 1.00 31.01 C ATOM 490 CG GLU A 32 2.706 5.876 -8.315 1.00 62.44 C ATOM 491 CD GLU A 32 3.720 5.633 -9.417 1.00 14.33 C ATOM 492 OE1 GLU A 32 4.710 6.391 -9.489 1.00 25.40 O ATOM 493 OE2 GLU A 32 3.522 4.685 -10.206 1.00 14.55 O ATOM 0 H GLU A 32 1.731 5.250 -5.365 1.00 13.43 H new ATOM 0 HA GLU A 32 3.844 4.082 -6.819 1.00 13.12 H new ATOM 0 HB2 GLU A 32 2.711 6.832 -6.402 1.00 31.01 H new ATOM 0 HB3 GLU A 32 4.293 6.705 -7.145 1.00 31.01 H new ATOM 0 HG2 GLU A 32 2.063 5.001 -8.218 1.00 62.44 H new ATOM 0 HG3 GLU A 32 2.065 6.713 -8.594 1.00 62.44 H new ATOM 498 N ARG A 33 4.689 5.799 -4.140 1.00 61.12 N ATOM 499 CA ARG A 33 5.787 6.080 -3.223 1.00 10.13 C ATOM 500 C ARG A 33 6.117 4.854 -2.377 1.00 25.12 C ATOM 501 O ARG A 33 7.261 4.657 -1.968 1.00 71.33 O ATOM 502 CB ARG A 33 5.431 7.258 -2.315 1.00 34.33 C ATOM 503 CG ARG A 33 6.525 7.611 -1.320 1.00 13.33 C ATOM 504 CD ARG A 33 6.226 8.921 -0.606 1.00 71.41 C ATOM 505 NE ARG A 33 7.304 9.308 0.301 1.00 24.13 N ATOM 506 CZ ARG A 33 7.461 10.539 0.772 1.00 52.31 C ATOM 507 NH1 ARG A 33 6.615 11.499 0.425 1.00 1.44 N ATOM 508 NH2 ARG A 33 8.466 10.813 1.594 1.00 52.11 N ATOM 0 H ARG A 33 3.782 6.148 -3.831 1.00 61.12 H new ATOM 0 HA ARG A 33 6.665 6.338 -3.815 1.00 10.13 H new ATOM 0 HB2 ARG A 33 5.218 8.130 -2.932 1.00 34.33 H new ATOM 0 HB3 ARG A 33 4.517 7.022 -1.769 1.00 34.33 H new ATOM 0 HG2 ARG A 33 6.624 6.810 -0.587 1.00 13.33 H new ATOM 0 HG3 ARG A 33 7.480 7.688 -1.840 1.00 13.33 H new ATOM 0 HD2 ARG A 33 6.072 9.709 -1.343 1.00 71.41 H new ATOM 0 HD3 ARG A 33 5.297 8.824 -0.044 1.00 71.41 H new ATOM 0 HE ARG A 33 7.973 8.593 0.588 1.00 24.13 H new ATOM 0 HH11 ARG A 33 5.840 11.293 -0.206 1.00 1.44 H new ATOM 0 HH12 ARG A 33 6.739 12.444 0.789 1.00 1.44 H new ATOM 0 HH21 ARG A 33 9.119 10.077 1.864 1.00 52.11 H new ATOM 0 HH22 ARG A 33 8.586 11.759 1.955 1.00 52.11 H new ATOM 519 N LEU A 34 5.106 4.030 -2.119 1.00 0.24 N ATOM 520 CA LEU A 34 5.288 2.823 -1.322 1.00 3.11 C ATOM 521 C LEU A 34 6.023 1.749 -2.119 1.00 51.41 C ATOM 522 O LEU A 34 7.027 1.201 -1.664 1.00 12.31 O ATOM 523 CB LEU A 34 3.933 2.289 -0.854 1.00 45.13 C ATOM 524 CG LEU A 34 3.956 0.939 -0.135 1.00 2.35 C ATOM 525 CD1 LEU A 34 4.726 1.043 1.172 1.00 71.34 C ATOM 526 CD2 LEU A 34 2.539 0.445 0.118 1.00 62.11 C ATOM 0 H LEU A 34 4.153 4.177 -2.451 1.00 0.24 H new ATOM 0 HA LEU A 34 5.892 3.080 -0.451 1.00 3.11 H new ATOM 0 HB2 LEU A 34 3.485 3.026 -0.187 1.00 45.13 H new ATOM 0 HB3 LEU A 34 3.279 2.205 -1.722 1.00 45.13 H new ATOM 0 HG LEU A 34 4.463 0.217 -0.776 1.00 2.35 H new ATOM 0 HD11 LEU A 34 4.732 0.073 1.669 1.00 71.34 H new ATOM 0 HD12 LEU A 34 5.751 1.351 0.967 1.00 71.34 H new ATOM 0 HD13 LEU A 34 4.248 1.779 1.818 1.00 71.34 H new ATOM 0 HD21 LEU A 34 2.575 -0.516 0.630 1.00 62.11 H new ATOM 0 HD22 LEU A 34 2.007 1.167 0.738 1.00 62.11 H new ATOM 0 HD23 LEU A 34 2.018 0.330 -0.833 1.00 62.11 H new ATOM 537 N LYS A 35 5.517 1.455 -3.312 1.00 54.24 N ATOM 538 CA LYS A 35 6.126 0.451 -4.175 1.00 63.24 C ATOM 539 C LYS A 35 7.605 0.749 -4.397 1.00 60.34 C ATOM 540 O LYS A 35 8.439 -0.157 -4.403 1.00 45.51 O ATOM 541 CB LYS A 35 5.399 0.395 -5.520 1.00 65.11 C ATOM 542 CG LYS A 35 5.463 1.696 -6.300 1.00 21.20 C ATOM 543 CD LYS A 35 6.610 1.693 -7.297 1.00 41.41 C ATOM 544 CE LYS A 35 6.171 1.158 -8.651 1.00 11.02 C ATOM 545 NZ LYS A 35 5.248 2.099 -9.345 1.00 24.13 N ATOM 0 H LYS A 35 4.686 1.899 -3.703 1.00 54.24 H new ATOM 0 HA LYS A 35 6.038 -0.517 -3.681 1.00 63.24 H new ATOM 0 HB2 LYS A 35 5.831 -0.403 -6.124 1.00 65.11 H new ATOM 0 HB3 LYS A 35 4.354 0.135 -5.348 1.00 65.11 H new ATOM 0 HG2 LYS A 35 4.522 1.852 -6.827 1.00 21.20 H new ATOM 0 HG3 LYS A 35 5.583 2.530 -5.609 1.00 21.20 H new ATOM 0 HD2 LYS A 35 6.995 2.706 -7.413 1.00 41.41 H new ATOM 0 HD3 LYS A 35 7.427 1.083 -6.911 1.00 41.41 H new ATOM 0 HE2 LYS A 35 7.048 0.983 -9.274 1.00 11.02 H new ATOM 0 HE3 LYS A 35 5.677 0.196 -8.519 1.00 11.02 H new ATOM 0 HZ1 LYS A 35 5.250 1.898 -10.365 1.00 24.13 H new ATOM 0 HZ2 LYS A 35 4.285 1.980 -8.971 1.00 24.13 H new ATOM 0 HZ3 LYS A 35 5.564 3.077 -9.184 1.00 24.13 H new ATOM 555 N VAL A 36 7.926 2.026 -4.579 1.00 75.21 N ATOM 556 CA VAL A 36 9.305 2.445 -4.799 1.00 1.00 C ATOM 557 C VAL A 36 10.095 2.444 -3.494 1.00 22.02 C ATOM 558 O VAL A 36 11.284 2.129 -3.478 1.00 54.25 O ATOM 559 CB VAL A 36 9.373 3.850 -5.426 1.00 23.14 C ATOM 560 CG1 VAL A 36 8.748 4.880 -4.497 1.00 63.33 C ATOM 561 CG2 VAL A 36 10.811 4.219 -5.753 1.00 64.32 C ATOM 0 H VAL A 36 7.249 2.789 -4.578 1.00 75.21 H new ATOM 0 HA VAL A 36 9.747 1.726 -5.489 1.00 1.00 H new ATOM 0 HB VAL A 36 8.804 3.841 -6.356 1.00 23.14 H new ATOM 0 HG11 VAL A 36 8.805 5.867 -4.957 1.00 63.33 H new ATOM 0 HG12 VAL A 36 7.704 4.623 -4.318 1.00 63.33 H new ATOM 0 HG13 VAL A 36 9.287 4.889 -3.549 1.00 63.33 H new ATOM 0 HG21 VAL A 36 10.840 5.215 -6.195 1.00 64.32 H new ATOM 0 HG22 VAL A 36 11.406 4.210 -4.839 1.00 64.32 H new ATOM 0 HG23 VAL A 36 11.220 3.497 -6.459 1.00 64.32 H new ATOM 571 N GLU A 37 9.423 2.798 -2.403 1.00 40.42 N ATOM 572 CA GLU A 37 10.063 2.839 -1.093 1.00 45.42 C ATOM 573 C GLU A 37 10.795 1.531 -0.805 1.00 52.23 C ATOM 574 O GLU A 37 11.968 1.533 -0.427 1.00 21.43 O ATOM 575 CB GLU A 37 9.024 3.105 -0.002 1.00 53.23 C ATOM 576 CG GLU A 37 9.603 3.098 1.403 1.00 54.00 C ATOM 577 CD GLU A 37 10.885 3.901 1.510 1.00 54.43 C ATOM 578 OE1 GLU A 37 10.868 5.097 1.149 1.00 63.40 O ATOM 579 OE2 GLU A 37 11.905 3.334 1.956 1.00 15.13 O ATOM 0 H GLU A 37 8.437 3.060 -2.400 1.00 40.42 H new ATOM 0 HA GLU A 37 10.791 3.650 -1.097 1.00 45.42 H new ATOM 0 HB2 GLU A 37 8.554 4.071 -0.187 1.00 53.23 H new ATOM 0 HB3 GLU A 37 8.240 2.351 -0.067 1.00 53.23 H new ATOM 0 HG2 GLU A 37 8.866 3.502 2.097 1.00 54.00 H new ATOM 0 HG3 GLU A 37 9.797 2.069 1.707 1.00 54.00 H new ATOM 584 N TYR A 38 10.095 0.416 -0.984 1.00 72.22 N ATOM 585 CA TYR A 38 10.678 -0.898 -0.740 1.00 2.43 C ATOM 586 C TYR A 38 11.235 -1.495 -2.029 1.00 30.42 C ATOM 587 O TYR A 38 12.280 -2.143 -2.025 1.00 44.02 O ATOM 588 CB TYR A 38 9.631 -1.839 -0.140 1.00 61.30 C ATOM 589 CG TYR A 38 8.919 -1.264 1.063 1.00 43.22 C ATOM 590 CD1 TYR A 38 9.603 -0.501 2.001 1.00 20.44 C ATOM 591 CD2 TYR A 38 7.562 -1.485 1.263 1.00 3.11 C ATOM 592 CE1 TYR A 38 8.957 0.025 3.102 1.00 54.02 C ATOM 593 CE2 TYR A 38 6.907 -0.962 2.361 1.00 72.21 C ATOM 594 CZ TYR A 38 7.609 -0.208 3.278 1.00 14.11 C ATOM 595 OH TYR A 38 6.961 0.316 4.374 1.00 71.55 O ATOM 0 H TYR A 38 9.124 0.396 -1.297 1.00 72.22 H new ATOM 0 HA TYR A 38 11.498 -0.778 -0.032 1.00 2.43 H new ATOM 0 HB2 TYR A 38 8.894 -2.084 -0.905 1.00 61.30 H new ATOM 0 HB3 TYR A 38 10.115 -2.772 0.147 1.00 61.30 H new ATOM 0 HD1 TYR A 38 10.659 -0.316 1.867 1.00 20.44 H new ATOM 0 HD2 TYR A 38 7.010 -2.076 0.548 1.00 3.11 H new ATOM 0 HE1 TYR A 38 9.504 0.616 3.822 1.00 54.02 H new ATOM 0 HE2 TYR A 38 5.851 -1.142 2.501 1.00 72.21 H new ATOM 0 HH TYR A 38 6.122 -0.168 4.520 1.00 71.55 H new ATOM 604 N GLY A 39 10.527 -1.270 -3.132 1.00 21.32 N ATOM 605 CA GLY A 39 10.966 -1.790 -4.414 1.00 0.04 C ATOM 606 C GLY A 39 9.903 -2.631 -5.093 1.00 53.13 C ATOM 607 O GLY A 39 8.772 -2.720 -4.613 1.00 71.43 O ATOM 0 H GLY A 39 9.658 -0.737 -3.161 1.00 21.32 H new ATOM 0 HA2 GLY A 39 11.239 -0.960 -5.065 1.00 0.04 H new ATOM 0 HA3 GLY A 39 11.864 -2.391 -4.271 1.00 0.04 H new ATOM 611 N SER A 40 10.265 -3.250 -6.212 1.00 34.13 N ATOM 612 CA SER A 40 9.332 -4.083 -6.961 1.00 1.10 C ATOM 613 C SER A 40 8.924 -5.307 -6.147 1.00 11.44 C ATOM 614 O SER A 40 7.810 -5.811 -6.283 1.00 4.13 O ATOM 615 CB SER A 40 9.959 -4.524 -8.286 1.00 54.41 C ATOM 616 OG SER A 40 11.100 -5.333 -8.065 1.00 71.14 O ATOM 0 H SER A 40 11.198 -3.190 -6.620 1.00 34.13 H new ATOM 0 HA SER A 40 8.440 -3.491 -7.168 1.00 1.10 H new ATOM 0 HB2 SER A 40 9.225 -5.077 -8.873 1.00 54.41 H new ATOM 0 HB3 SER A 40 10.239 -3.647 -8.869 1.00 54.41 H new ATOM 0 HG SER A 40 11.481 -5.603 -8.926 1.00 71.14 H new ATOM 621 N GLU A 41 9.834 -5.778 -5.301 1.00 3.42 N ATOM 622 CA GLU A 41 9.568 -6.943 -4.464 1.00 25.30 C ATOM 623 C GLU A 41 8.242 -6.792 -3.725 1.00 74.40 C ATOM 624 O GLU A 41 7.467 -7.743 -3.616 1.00 34.10 O ATOM 625 CB GLU A 41 10.704 -7.147 -3.460 1.00 23.13 C ATOM 626 CG GLU A 41 12.068 -7.312 -4.109 1.00 72.54 C ATOM 627 CD GLU A 41 12.118 -8.482 -5.073 1.00 71.14 C ATOM 628 OE1 GLU A 41 11.602 -9.563 -4.722 1.00 21.11 O ATOM 629 OE2 GLU A 41 12.674 -8.315 -6.179 1.00 43.41 O ATOM 0 H GLU A 41 10.761 -5.372 -5.177 1.00 3.42 H new ATOM 0 HA GLU A 41 9.504 -7.817 -5.112 1.00 25.30 H new ATOM 0 HB2 GLU A 41 10.735 -6.295 -2.781 1.00 23.13 H new ATOM 0 HB3 GLU A 41 10.490 -8.028 -2.856 1.00 23.13 H new ATOM 0 HG2 GLU A 41 12.326 -6.396 -4.641 1.00 72.54 H new ATOM 0 HG3 GLU A 41 12.821 -7.453 -3.333 1.00 72.54 H new ATOM 634 N PHE A 42 7.987 -5.590 -3.220 1.00 55.52 N ATOM 635 CA PHE A 42 6.756 -5.313 -2.489 1.00 33.03 C ATOM 636 C PHE A 42 5.575 -5.181 -3.445 1.00 23.13 C ATOM 637 O PHE A 42 4.495 -5.719 -3.195 1.00 44.24 O ATOM 638 CB PHE A 42 6.904 -4.032 -1.664 1.00 30.11 C ATOM 639 CG PHE A 42 5.622 -3.578 -1.026 1.00 61.35 C ATOM 640 CD1 PHE A 42 4.755 -2.738 -1.705 1.00 75.33 C ATOM 641 CD2 PHE A 42 5.284 -3.993 0.252 1.00 41.21 C ATOM 642 CE1 PHE A 42 3.576 -2.317 -1.120 1.00 4.44 C ATOM 643 CE2 PHE A 42 4.106 -3.578 0.842 1.00 55.21 C ATOM 644 CZ PHE A 42 3.250 -2.739 0.155 1.00 51.13 C ATOM 0 H PHE A 42 8.616 -4.792 -3.303 1.00 55.52 H new ATOM 0 HA PHE A 42 6.566 -6.150 -1.817 1.00 33.03 H new ATOM 0 HB2 PHE A 42 7.650 -4.195 -0.886 1.00 30.11 H new ATOM 0 HB3 PHE A 42 7.282 -3.237 -2.307 1.00 30.11 H new ATOM 0 HD1 PHE A 42 5.003 -2.408 -2.703 1.00 75.33 H new ATOM 0 HD2 PHE A 42 5.950 -4.649 0.793 1.00 41.21 H new ATOM 0 HE1 PHE A 42 2.910 -1.659 -1.659 1.00 4.44 H new ATOM 0 HE2 PHE A 42 3.855 -3.909 1.839 1.00 55.21 H new ATOM 0 HZ PHE A 42 2.328 -2.414 0.613 1.00 51.13 H new ATOM 653 N THR A 43 5.786 -4.461 -4.542 1.00 3.03 N ATOM 654 CA THR A 43 4.739 -4.257 -5.535 1.00 12.24 C ATOM 655 C THR A 43 4.229 -5.587 -6.078 1.00 33.44 C ATOM 656 O THR A 43 3.029 -5.764 -6.288 1.00 11.14 O ATOM 657 CB THR A 43 5.239 -3.394 -6.710 1.00 42.02 C ATOM 658 OG1 THR A 43 6.366 -2.611 -6.297 1.00 0.23 O ATOM 659 CG2 THR A 43 4.136 -2.477 -7.217 1.00 42.33 C ATOM 0 H THR A 43 6.673 -4.009 -4.765 1.00 3.03 H new ATOM 0 HA THR A 43 3.924 -3.736 -5.032 1.00 12.24 H new ATOM 0 HB THR A 43 5.536 -4.060 -7.520 1.00 42.02 H new ATOM 0 HG1 THR A 43 6.719 -2.115 -7.065 1.00 0.23 H new ATOM 0 HG21 THR A 43 4.513 -1.878 -8.046 1.00 42.33 H new ATOM 0 HG22 THR A 43 3.292 -3.077 -7.557 1.00 42.33 H new ATOM 0 HG23 THR A 43 3.812 -1.818 -6.412 1.00 42.33 H new ATOM 667 N LYS A 44 5.147 -6.520 -6.302 1.00 64.43 N ATOM 668 CA LYS A 44 4.791 -7.836 -6.819 1.00 22.42 C ATOM 669 C LYS A 44 4.130 -8.684 -5.737 1.00 63.12 C ATOM 670 O LYS A 44 3.346 -9.586 -6.035 1.00 30.50 O ATOM 671 CB LYS A 44 6.034 -8.550 -7.355 1.00 22.01 C ATOM 672 CG LYS A 44 6.743 -7.789 -8.460 1.00 32.51 C ATOM 673 CD LYS A 44 6.271 -8.232 -9.835 1.00 51.03 C ATOM 674 CE LYS A 44 6.959 -9.516 -10.273 1.00 34.53 C ATOM 675 NZ LYS A 44 6.840 -9.736 -11.741 1.00 64.31 N ATOM 0 H LYS A 44 6.144 -6.389 -6.133 1.00 64.43 H new ATOM 0 HA LYS A 44 4.080 -7.699 -7.634 1.00 22.42 H new ATOM 0 HB2 LYS A 44 6.731 -8.714 -6.533 1.00 22.01 H new ATOM 0 HB3 LYS A 44 5.745 -9.532 -7.729 1.00 22.01 H new ATOM 0 HG2 LYS A 44 6.564 -6.721 -8.340 1.00 32.51 H new ATOM 0 HG3 LYS A 44 7.819 -7.943 -8.377 1.00 32.51 H new ATOM 0 HD2 LYS A 44 5.192 -8.383 -9.819 1.00 51.03 H new ATOM 0 HD3 LYS A 44 6.472 -7.444 -10.561 1.00 51.03 H new ATOM 0 HE2 LYS A 44 8.012 -9.476 -9.996 1.00 34.53 H new ATOM 0 HE3 LYS A 44 6.522 -10.362 -9.742 1.00 34.53 H new ATOM 0 HZ1 LYS A 44 7.626 -10.333 -12.067 1.00 64.31 H new ATOM 0 HZ2 LYS A 44 5.937 -10.208 -11.949 1.00 64.31 H new ATOM 0 HZ3 LYS A 44 6.874 -8.820 -12.233 1.00 64.31 H new ATOM 685 N GLN A 45 4.452 -8.390 -4.482 1.00 62.21 N ATOM 686 CA GLN A 45 3.889 -9.127 -3.357 1.00 14.20 C ATOM 687 C GLN A 45 2.425 -8.755 -3.140 1.00 53.00 C ATOM 688 O GLN A 45 1.629 -9.573 -2.682 1.00 15.01 O ATOM 689 CB GLN A 45 4.691 -8.848 -2.084 1.00 73.21 C ATOM 690 CG GLN A 45 4.521 -9.911 -1.012 1.00 50.34 C ATOM 691 CD GLN A 45 3.201 -9.792 -0.276 1.00 3.44 C ATOM 692 OE1 GLN A 45 2.654 -8.698 -0.133 1.00 12.44 O ATOM 693 NE2 GLN A 45 2.681 -10.919 0.195 1.00 64.25 N ATOM 0 H GLN A 45 5.099 -7.647 -4.218 1.00 62.21 H new ATOM 0 HA GLN A 45 3.945 -10.191 -3.588 1.00 14.20 H new ATOM 0 HB2 GLN A 45 5.747 -8.768 -2.340 1.00 73.21 H new ATOM 0 HB3 GLN A 45 4.388 -7.883 -1.678 1.00 73.21 H new ATOM 0 HG2 GLN A 45 4.589 -10.898 -1.470 1.00 50.34 H new ATOM 0 HG3 GLN A 45 5.340 -9.834 -0.297 1.00 50.34 H new ATOM 0 HE21 GLN A 45 3.168 -11.804 0.054 1.00 64.25 H new ATOM 0 HE22 GLN A 45 1.794 -10.900 0.698 1.00 64.25 H new ATOM 700 N MET A 46 2.079 -7.515 -3.473 1.00 31.41 N ATOM 701 CA MET A 46 0.711 -7.036 -3.316 1.00 52.53 C ATOM 702 C MET A 46 0.058 -6.800 -4.674 1.00 61.22 C ATOM 703 O MET A 46 -1.059 -6.289 -4.756 1.00 62.24 O ATOM 704 CB MET A 46 0.692 -5.744 -2.496 1.00 2.12 C ATOM 705 CG MET A 46 -0.703 -5.316 -2.069 1.00 71.53 C ATOM 706 SD MET A 46 -1.128 -3.661 -2.647 1.00 45.34 S ATOM 707 CE MET A 46 -2.538 -4.020 -3.692 1.00 20.41 C ATOM 0 H MET A 46 2.727 -6.825 -3.853 1.00 31.41 H new ATOM 0 HA MET A 46 0.143 -7.802 -2.788 1.00 52.53 H new ATOM 0 HB2 MET A 46 1.310 -5.878 -1.608 1.00 2.12 H new ATOM 0 HB3 MET A 46 1.145 -4.944 -3.082 1.00 2.12 H new ATOM 0 HG2 MET A 46 -1.432 -6.029 -2.454 1.00 71.53 H new ATOM 0 HG3 MET A 46 -0.771 -5.346 -0.982 1.00 71.53 H new ATOM 0 HE1 MET A 46 -3.290 -3.241 -3.569 1.00 20.41 H new ATOM 0 HE2 MET A 46 -2.219 -4.055 -4.734 1.00 20.41 H new ATOM 0 HE3 MET A 46 -2.964 -4.983 -3.410 1.00 20.41 H new ATOM 715 N TYR A 47 0.762 -7.174 -5.736 1.00 23.51 N ATOM 716 CA TYR A 47 0.251 -7.001 -7.091 1.00 50.00 C ATOM 717 C TYR A 47 1.258 -7.506 -8.121 1.00 2.43 C ATOM 718 O TYR A 47 2.178 -6.787 -8.509 1.00 25.41 O ATOM 719 CB TYR A 47 -0.069 -5.528 -7.354 1.00 44.34 C ATOM 720 CG TYR A 47 -1.414 -5.308 -8.007 1.00 63.33 C ATOM 721 CD1 TYR A 47 -2.571 -5.851 -7.462 1.00 54.01 C ATOM 722 CD2 TYR A 47 -1.528 -4.557 -9.171 1.00 63.33 C ATOM 723 CE1 TYR A 47 -3.802 -5.652 -8.057 1.00 61.50 C ATOM 724 CE2 TYR A 47 -2.754 -4.353 -9.772 1.00 32.22 C ATOM 725 CZ TYR A 47 -3.888 -4.903 -9.212 1.00 32.42 C ATOM 726 OH TYR A 47 -5.112 -4.701 -9.807 1.00 4.42 O ATOM 0 H TYR A 47 1.688 -7.599 -5.685 1.00 23.51 H new ATOM 0 HA TYR A 47 -0.663 -7.587 -7.185 1.00 50.00 H new ATOM 0 HB2 TYR A 47 -0.040 -4.984 -6.410 1.00 44.34 H new ATOM 0 HB3 TYR A 47 0.708 -5.104 -7.990 1.00 44.34 H new ATOM 0 HD1 TYR A 47 -2.507 -6.439 -6.558 1.00 54.01 H new ATOM 0 HD2 TYR A 47 -0.642 -4.126 -9.613 1.00 63.33 H new ATOM 0 HE1 TYR A 47 -4.692 -6.081 -7.620 1.00 61.50 H new ATOM 0 HE2 TYR A 47 -2.825 -3.766 -10.676 1.00 32.22 H new ATOM 0 HH TYR A 47 -5.326 -5.465 -10.383 1.00 4.42 H new ATOM 735 N ASP A 48 1.073 -8.747 -8.560 1.00 15.22 N ATOM 736 CA ASP A 48 1.961 -9.349 -9.546 1.00 52.04 C ATOM 737 C ASP A 48 1.321 -9.341 -10.931 1.00 71.04 C ATOM 738 O ASP A 48 0.627 -10.283 -11.310 1.00 61.32 O ATOM 739 CB ASP A 48 2.312 -10.782 -9.141 1.00 31.24 C ATOM 740 CG ASP A 48 3.071 -11.520 -10.225 1.00 43.34 C ATOM 741 OD1 ASP A 48 4.041 -10.949 -10.764 1.00 53.24 O ATOM 742 OD2 ASP A 48 2.694 -12.671 -10.536 1.00 14.44 O ATOM 0 H ASP A 48 0.316 -9.355 -8.248 1.00 15.22 H new ATOM 0 HA ASP A 48 2.875 -8.756 -9.584 1.00 52.04 H new ATOM 0 HB2 ASP A 48 2.911 -10.763 -8.231 1.00 31.24 H new ATOM 0 HB3 ASP A 48 1.396 -11.325 -8.908 1.00 31.24 H new ATOM 746 N GLY A 49 1.560 -8.270 -11.681 1.00 34.11 N ATOM 747 CA GLY A 49 0.998 -8.157 -13.015 1.00 62.15 C ATOM 748 C GLY A 49 -0.370 -7.506 -13.016 1.00 42.32 C ATOM 749 O GLY A 49 -0.497 -6.314 -13.291 1.00 65.03 O ATOM 0 H GLY A 49 2.133 -7.478 -11.389 1.00 34.11 H new ATOM 0 HA2 GLY A 49 1.674 -7.576 -13.642 1.00 62.15 H new ATOM 0 HA3 GLY A 49 0.925 -9.149 -13.460 1.00 62.15 H new ATOM 753 N ASN A 50 -1.397 -8.292 -12.708 1.00 24.12 N ATOM 754 CA ASN A 50 -2.764 -7.785 -12.677 1.00 5.33 C ATOM 755 C ASN A 50 -3.437 -8.116 -11.348 1.00 42.03 C ATOM 756 O ASN A 50 -4.186 -7.308 -10.802 1.00 3.23 O ATOM 757 CB ASN A 50 -3.575 -8.374 -13.832 1.00 11.22 C ATOM 758 CG ASN A 50 -4.497 -7.353 -14.471 1.00 32.30 C ATOM 759 OD1 ASN A 50 -5.719 -7.438 -14.347 1.00 54.32 O ATOM 760 ND2 ASN A 50 -3.913 -6.380 -15.163 1.00 45.30 N ATOM 0 H ASN A 50 -1.308 -9.281 -12.477 1.00 24.12 H new ATOM 0 HA ASN A 50 -2.725 -6.701 -12.785 1.00 5.33 H new ATOM 0 HB2 ASN A 50 -2.894 -8.767 -14.587 1.00 11.22 H new ATOM 0 HB3 ASN A 50 -4.165 -9.214 -13.466 1.00 11.22 H new ATOM 0 HD21 ASN A 50 -4.481 -5.665 -15.617 1.00 45.30 H new ATOM 0 HD22 ASN A 50 -2.896 -6.348 -15.240 1.00 45.30 H new ATOM 766 N ASN A 51 -3.162 -9.310 -10.833 1.00 33.44 N ATOM 767 CA ASN A 51 -3.740 -9.748 -9.567 1.00 24.25 C ATOM 768 C ASN A 51 -2.658 -10.265 -8.625 1.00 63.02 C ATOM 769 O ASN A 51 -1.540 -10.563 -9.050 1.00 44.43 O ATOM 770 CB ASN A 51 -4.784 -10.840 -9.812 1.00 5.34 C ATOM 771 CG ASN A 51 -4.159 -12.214 -9.963 1.00 13.44 C ATOM 772 OD1 ASN A 51 -4.286 -13.065 -9.083 1.00 40.14 O ATOM 773 ND2 ASN A 51 -3.481 -12.435 -11.083 1.00 4.43 N ATOM 0 H ASN A 51 -2.543 -9.991 -11.272 1.00 33.44 H new ATOM 0 HA ASN A 51 -4.223 -8.890 -9.099 1.00 24.25 H new ATOM 0 HB2 ASN A 51 -5.492 -10.855 -8.983 1.00 5.34 H new ATOM 0 HB3 ASN A 51 -5.352 -10.601 -10.711 1.00 5.34 H new ATOM 0 HD21 ASN A 51 -3.039 -13.341 -11.241 1.00 4.43 H new ATOM 0 HD22 ASN A 51 -3.402 -11.699 -11.785 1.00 4.43 H new ATOM 779 N LEU A 52 -2.997 -10.370 -7.345 1.00 61.22 N ATOM 780 CA LEU A 52 -2.054 -10.853 -6.342 1.00 53.54 C ATOM 781 C LEU A 52 -1.421 -12.170 -6.778 1.00 41.15 C ATOM 782 O LEU A 52 -1.950 -12.870 -7.642 1.00 55.52 O ATOM 783 CB LEU A 52 -2.760 -11.033 -4.996 1.00 70.11 C ATOM 784 CG LEU A 52 -3.490 -9.805 -4.451 1.00 22.33 C ATOM 785 CD1 LEU A 52 -2.846 -8.528 -4.968 1.00 24.35 C ATOM 786 CD2 LEU A 52 -4.965 -9.852 -4.826 1.00 64.33 C ATOM 0 H LEU A 52 -3.917 -10.127 -6.977 1.00 61.22 H new ATOM 0 HA LEU A 52 -1.263 -10.111 -6.235 1.00 53.54 H new ATOM 0 HB2 LEU A 52 -3.480 -11.846 -5.092 1.00 70.11 H new ATOM 0 HB3 LEU A 52 -2.020 -11.348 -4.260 1.00 70.11 H new ATOM 0 HG LEU A 52 -3.412 -9.812 -3.364 1.00 22.33 H new ATOM 0 HD11 LEU A 52 -3.379 -7.665 -4.570 1.00 24.35 H new ATOM 0 HD12 LEU A 52 -1.805 -8.491 -4.649 1.00 24.35 H new ATOM 0 HD13 LEU A 52 -2.892 -8.512 -6.057 1.00 24.35 H new ATOM 0 HD21 LEU A 52 -5.469 -8.971 -4.430 1.00 64.33 H new ATOM 0 HD22 LEU A 52 -5.064 -9.870 -5.911 1.00 64.33 H new ATOM 0 HD23 LEU A 52 -5.419 -10.749 -4.405 1.00 64.33 H new ATOM 797 N PHE A 53 -0.286 -12.503 -6.172 1.00 42.05 N ATOM 798 CA PHE A 53 0.419 -13.738 -6.497 1.00 51.43 C ATOM 799 C PHE A 53 -0.253 -14.938 -5.837 1.00 22.41 C ATOM 800 O PHE A 53 -0.780 -15.820 -6.515 1.00 23.45 O ATOM 801 CB PHE A 53 1.880 -13.649 -6.051 1.00 13.40 C ATOM 802 CG PHE A 53 2.622 -14.950 -6.161 1.00 44.23 C ATOM 803 CD1 PHE A 53 3.139 -15.367 -7.377 1.00 73.34 C ATOM 804 CD2 PHE A 53 2.801 -15.757 -5.049 1.00 64.41 C ATOM 805 CE1 PHE A 53 3.822 -16.563 -7.482 1.00 40.35 C ATOM 806 CE2 PHE A 53 3.483 -16.955 -5.148 1.00 55.12 C ATOM 807 CZ PHE A 53 3.994 -17.359 -6.366 1.00 72.31 C ATOM 0 H PHE A 53 0.165 -11.936 -5.454 1.00 42.05 H new ATOM 0 HA PHE A 53 0.384 -13.873 -7.578 1.00 51.43 H new ATOM 0 HB2 PHE A 53 2.390 -12.897 -6.653 1.00 13.40 H new ATOM 0 HB3 PHE A 53 1.915 -13.306 -5.017 1.00 13.40 H new ATOM 0 HD1 PHE A 53 3.006 -14.750 -8.253 1.00 73.34 H new ATOM 0 HD2 PHE A 53 2.403 -15.446 -4.094 1.00 64.41 H new ATOM 0 HE1 PHE A 53 4.221 -16.876 -8.436 1.00 40.35 H new ATOM 0 HE2 PHE A 53 3.616 -17.575 -4.274 1.00 55.12 H new ATOM 0 HZ PHE A 53 4.527 -18.295 -6.446 1.00 72.31 H new ATOM 816 N LYS A 54 -0.230 -14.965 -4.509 1.00 43.44 N ATOM 817 CA LYS A 54 -0.837 -16.056 -3.755 1.00 33.02 C ATOM 818 C LYS A 54 -2.312 -15.774 -3.483 1.00 64.51 C ATOM 819 O LYS A 54 -3.180 -16.572 -3.834 1.00 65.24 O ATOM 820 CB LYS A 54 -0.095 -16.264 -2.432 1.00 64.21 C ATOM 821 CG LYS A 54 -0.698 -17.352 -1.561 1.00 2.01 C ATOM 822 CD LYS A 54 -0.443 -18.735 -2.138 1.00 71.44 C ATOM 823 CE LYS A 54 1.034 -19.097 -2.082 1.00 55.33 C ATOM 824 NZ LYS A 54 1.242 -20.571 -2.049 1.00 70.01 N ATOM 0 H LYS A 54 0.203 -14.244 -3.932 1.00 43.44 H new ATOM 0 HA LYS A 54 -0.762 -16.964 -4.354 1.00 33.02 H new ATOM 0 HB2 LYS A 54 0.945 -16.514 -2.644 1.00 64.21 H new ATOM 0 HB3 LYS A 54 -0.090 -15.326 -1.876 1.00 64.21 H new ATOM 0 HG2 LYS A 54 -0.276 -17.292 -0.558 1.00 2.01 H new ATOM 0 HG3 LYS A 54 -1.772 -17.189 -1.465 1.00 2.01 H new ATOM 0 HD2 LYS A 54 -1.021 -19.474 -1.584 1.00 71.44 H new ATOM 0 HD3 LYS A 54 -0.788 -18.769 -3.171 1.00 71.44 H new ATOM 0 HE2 LYS A 54 1.544 -18.677 -2.949 1.00 55.33 H new ATOM 0 HE3 LYS A 54 1.485 -18.647 -1.198 1.00 55.33 H new ATOM 0 HZ1 LYS A 54 2.261 -20.777 -2.011 1.00 70.01 H new ATOM 0 HZ2 LYS A 54 0.777 -20.968 -1.208 1.00 70.01 H new ATOM 0 HZ3 LYS A 54 0.834 -20.998 -2.905 1.00 70.01 H new ATOM 834 N ASN A 55 -2.587 -14.634 -2.858 1.00 24.20 N ATOM 835 CA ASN A 55 -3.957 -14.248 -2.542 1.00 63.11 C ATOM 836 C ASN A 55 -3.982 -13.160 -1.472 1.00 43.35 C ATOM 837 O ASN A 55 -4.750 -13.236 -0.513 1.00 14.21 O ATOM 838 CB ASN A 55 -4.755 -15.464 -2.068 1.00 42.33 C ATOM 839 CG ASN A 55 -5.733 -15.959 -3.115 1.00 11.13 C ATOM 840 OD1 ASN A 55 -6.273 -15.174 -3.895 1.00 24.14 O ATOM 841 ND2 ASN A 55 -5.965 -17.266 -3.138 1.00 40.51 N ATOM 0 H ASN A 55 -1.880 -13.962 -2.561 1.00 24.20 H new ATOM 0 HA ASN A 55 -4.415 -13.852 -3.448 1.00 63.11 H new ATOM 0 HB2 ASN A 55 -4.066 -16.268 -1.809 1.00 42.33 H new ATOM 0 HB3 ASN A 55 -5.299 -15.206 -1.160 1.00 42.33 H new ATOM 0 HD21 ASN A 55 -6.613 -17.657 -3.821 1.00 40.51 H new ATOM 0 HD22 ASN A 55 -5.495 -17.879 -2.472 1.00 40.51 H new ATOM 847 N VAL A 56 -3.136 -12.149 -1.644 1.00 2.41 N ATOM 848 CA VAL A 56 -3.062 -11.046 -0.695 1.00 14.23 C ATOM 849 C VAL A 56 -4.351 -10.231 -0.698 1.00 35.11 C ATOM 850 O VAL A 56 -4.918 -9.952 -1.754 1.00 61.42 O ATOM 851 CB VAL A 56 -1.877 -10.113 -1.010 1.00 71.30 C ATOM 852 CG1 VAL A 56 -1.616 -9.168 0.153 1.00 22.12 C ATOM 853 CG2 VAL A 56 -0.634 -10.925 -1.338 1.00 72.35 C ATOM 0 H VAL A 56 -2.493 -12.072 -2.432 1.00 2.41 H new ATOM 0 HA VAL A 56 -2.916 -11.486 0.291 1.00 14.23 H new ATOM 0 HB VAL A 56 -2.132 -9.512 -1.883 1.00 71.30 H new ATOM 0 HG11 VAL A 56 -0.776 -8.517 -0.089 1.00 22.12 H new ATOM 0 HG12 VAL A 56 -2.503 -8.562 0.336 1.00 22.12 H new ATOM 0 HG13 VAL A 56 -1.382 -9.747 1.046 1.00 22.12 H new ATOM 0 HG21 VAL A 56 0.194 -10.251 -1.558 1.00 72.35 H new ATOM 0 HG22 VAL A 56 -0.374 -11.553 -0.486 1.00 72.35 H new ATOM 0 HG23 VAL A 56 -0.829 -11.555 -2.206 1.00 72.35 H new ATOM 863 N ILE A 57 -4.807 -9.851 0.491 1.00 30.21 N ATOM 864 CA ILE A 57 -6.028 -9.067 0.625 1.00 13.14 C ATOM 865 C ILE A 57 -5.794 -7.829 1.485 1.00 1.53 C ATOM 866 O ILE A 57 -5.638 -7.927 2.703 1.00 3.13 O ATOM 867 CB ILE A 57 -7.167 -9.899 1.242 1.00 52.32 C ATOM 868 CG1 ILE A 57 -7.446 -11.136 0.386 1.00 22.45 C ATOM 869 CG2 ILE A 57 -8.424 -9.054 1.386 1.00 52.43 C ATOM 870 CD1 ILE A 57 -7.935 -12.325 1.183 1.00 3.14 C ATOM 0 H ILE A 57 -4.349 -10.073 1.375 1.00 30.21 H new ATOM 0 HA ILE A 57 -6.318 -8.760 -0.380 1.00 13.14 H new ATOM 0 HB ILE A 57 -6.859 -10.228 2.234 1.00 52.32 H new ATOM 0 HG12 ILE A 57 -8.190 -10.885 -0.370 1.00 22.45 H new ATOM 0 HG13 ILE A 57 -6.535 -11.414 -0.144 1.00 22.45 H new ATOM 0 HG21 ILE A 57 -9.220 -9.657 1.824 1.00 52.43 H new ATOM 0 HG22 ILE A 57 -8.217 -8.201 2.033 1.00 52.43 H new ATOM 0 HG23 ILE A 57 -8.737 -8.697 0.405 1.00 52.43 H new ATOM 0 HD11 ILE A 57 -8.112 -13.165 0.511 1.00 3.14 H new ATOM 0 HD12 ILE A 57 -7.182 -12.603 1.921 1.00 3.14 H new ATOM 0 HD13 ILE A 57 -8.863 -12.065 1.692 1.00 3.14 H new ATOM 881 N ILE A 58 -5.773 -6.665 0.844 1.00 24.00 N ATOM 882 CA ILE A 58 -5.562 -5.408 1.550 1.00 45.13 C ATOM 883 C ILE A 58 -6.719 -4.443 1.313 1.00 61.14 C ATOM 884 O ILE A 58 -7.172 -4.267 0.181 1.00 53.51 O ATOM 885 CB ILE A 58 -4.247 -4.733 1.117 1.00 12.32 C ATOM 886 CG1 ILE A 58 -4.262 -3.250 1.494 1.00 72.10 C ATOM 887 CG2 ILE A 58 -4.032 -4.903 -0.379 1.00 60.15 C ATOM 888 CD1 ILE A 58 -2.909 -2.584 1.378 1.00 54.13 C ATOM 0 H ILE A 58 -5.900 -6.567 -0.163 1.00 24.00 H new ATOM 0 HA ILE A 58 -5.505 -5.648 2.612 1.00 45.13 H new ATOM 0 HB ILE A 58 -3.420 -5.213 1.640 1.00 12.32 H new ATOM 0 HG12 ILE A 58 -4.972 -2.727 0.852 1.00 72.10 H new ATOM 0 HG13 ILE A 58 -4.622 -3.147 2.518 1.00 72.10 H new ATOM 0 HG21 ILE A 58 -3.099 -4.421 -0.670 1.00 60.15 H new ATOM 0 HG22 ILE A 58 -3.983 -5.965 -0.621 1.00 60.15 H new ATOM 0 HG23 ILE A 58 -4.860 -4.446 -0.920 1.00 60.15 H new ATOM 0 HD11 ILE A 58 -2.995 -1.535 1.660 1.00 54.13 H new ATOM 0 HD12 ILE A 58 -2.201 -3.081 2.040 1.00 54.13 H new ATOM 0 HD13 ILE A 58 -2.555 -2.655 0.349 1.00 54.13 H new ATOM 899 N LEU A 59 -7.190 -3.818 2.386 1.00 31.33 N ATOM 900 CA LEU A 59 -8.294 -2.868 2.295 1.00 61.35 C ATOM 901 C LEU A 59 -7.830 -1.460 2.655 1.00 11.03 C ATOM 902 O LEU A 59 -6.845 -1.283 3.370 1.00 70.03 O ATOM 903 CB LEU A 59 -9.436 -3.294 3.218 1.00 14.23 C ATOM 904 CG LEU A 59 -10.268 -4.489 2.751 1.00 71.22 C ATOM 905 CD1 LEU A 59 -10.766 -5.291 3.943 1.00 60.35 C ATOM 906 CD2 LEU A 59 -11.436 -4.024 1.893 1.00 40.41 C ATOM 0 H LEU A 59 -6.825 -3.951 3.329 1.00 31.33 H new ATOM 0 HA LEU A 59 -8.652 -2.860 1.266 1.00 61.35 H new ATOM 0 HB2 LEU A 59 -9.017 -3.529 4.196 1.00 14.23 H new ATOM 0 HB3 LEU A 59 -10.104 -2.443 3.353 1.00 14.23 H new ATOM 0 HG LEU A 59 -9.633 -5.134 2.145 1.00 71.22 H new ATOM 0 HD11 LEU A 59 -11.356 -6.137 3.591 1.00 60.35 H new ATOM 0 HD12 LEU A 59 -9.914 -5.656 4.517 1.00 60.35 H new ATOM 0 HD13 LEU A 59 -11.385 -4.655 4.576 1.00 60.35 H new ATOM 0 HD21 LEU A 59 -12.017 -4.888 1.570 1.00 40.41 H new ATOM 0 HD22 LEU A 59 -12.072 -3.356 2.475 1.00 40.41 H new ATOM 0 HD23 LEU A 59 -11.057 -3.494 1.019 1.00 40.41 H new ATOM 917 N VAL A 60 -8.550 -0.460 2.155 1.00 53.33 N ATOM 918 CA VAL A 60 -8.215 0.933 2.427 1.00 23.02 C ATOM 919 C VAL A 60 -9.371 1.652 3.113 1.00 31.44 C ATOM 920 O VAL A 60 -10.504 1.630 2.630 1.00 62.15 O ATOM 921 CB VAL A 60 -7.852 1.685 1.133 1.00 71.34 C ATOM 922 CG1 VAL A 60 -7.492 3.131 1.439 1.00 51.13 C ATOM 923 CG2 VAL A 60 -6.711 0.984 0.412 1.00 62.02 C ATOM 0 H VAL A 60 -9.368 -0.589 1.560 1.00 53.33 H new ATOM 0 HA VAL A 60 -7.350 0.928 3.090 1.00 23.02 H new ATOM 0 HB VAL A 60 -8.722 1.683 0.476 1.00 71.34 H new ATOM 0 HG11 VAL A 60 -7.238 3.647 0.513 1.00 51.13 H new ATOM 0 HG12 VAL A 60 -8.342 3.626 1.909 1.00 51.13 H new ATOM 0 HG13 VAL A 60 -6.637 3.158 2.115 1.00 51.13 H new ATOM 0 HG21 VAL A 60 -6.468 1.529 -0.500 1.00 62.02 H new ATOM 0 HG22 VAL A 60 -5.835 0.953 1.061 1.00 62.02 H new ATOM 0 HG23 VAL A 60 -7.011 -0.033 0.158 1.00 62.02 H new ATOM 933 N ASN A 61 -9.078 2.291 4.240 1.00 51.20 N ATOM 934 CA ASN A 61 -10.094 3.018 4.994 1.00 31.31 C ATOM 935 C ASN A 61 -11.258 2.103 5.361 1.00 20.00 C ATOM 936 O ASN A 61 -12.387 2.558 5.539 1.00 74.50 O ATOM 937 CB ASN A 61 -10.605 4.210 4.181 1.00 51.24 C ATOM 938 CG ASN A 61 -11.476 5.139 5.004 1.00 52.12 C ATOM 939 OD1 ASN A 61 -11.415 5.139 6.234 1.00 31.22 O ATOM 940 ND2 ASN A 61 -12.294 5.937 4.327 1.00 71.22 N ATOM 0 H ASN A 61 -8.145 2.321 4.652 1.00 51.20 H new ATOM 0 HA ASN A 61 -9.637 3.382 5.914 1.00 31.31 H new ATOM 0 HB2 ASN A 61 -9.756 4.768 3.786 1.00 51.24 H new ATOM 0 HB3 ASN A 61 -11.174 3.846 3.325 1.00 51.24 H new ATOM 0 HD21 ASN A 61 -12.905 6.584 4.826 1.00 71.22 H new ATOM 0 HD22 ASN A 61 -12.311 5.903 3.308 1.00 71.22 H new ATOM 946 N GLY A 62 -10.974 0.809 5.473 1.00 72.43 N ATOM 947 CA GLY A 62 -12.007 -0.150 5.819 1.00 63.15 C ATOM 948 C GLY A 62 -13.012 -0.347 4.703 1.00 32.23 C ATOM 949 O GLY A 62 -14.204 -0.519 4.956 1.00 63.41 O ATOM 0 H GLY A 62 -10.047 0.408 5.330 1.00 72.43 H new ATOM 0 HA2 GLY A 62 -11.544 -1.107 6.060 1.00 63.15 H new ATOM 0 HA3 GLY A 62 -12.526 0.188 6.716 1.00 63.15 H new ATOM 953 N ASN A 63 -12.532 -0.320 3.464 1.00 22.35 N ATOM 954 CA ASN A 63 -13.400 -0.495 2.304 1.00 61.55 C ATOM 955 C ASN A 63 -12.589 -0.474 1.011 1.00 44.10 C ATOM 956 O ASN A 63 -11.857 0.477 0.741 1.00 42.45 O ATOM 957 CB ASN A 63 -14.466 0.601 2.269 1.00 30.32 C ATOM 958 CG ASN A 63 -15.819 0.107 2.743 1.00 75.34 C ATOM 959 OD1 ASN A 63 -16.158 -1.064 2.575 1.00 13.34 O ATOM 960 ND2 ASN A 63 -16.599 1.001 3.339 1.00 52.34 N ATOM 0 H ASN A 63 -11.548 -0.179 3.237 1.00 22.35 H new ATOM 0 HA ASN A 63 -13.889 -1.465 2.390 1.00 61.55 H new ATOM 0 HB2 ASN A 63 -14.147 1.434 2.895 1.00 30.32 H new ATOM 0 HB3 ASN A 63 -14.557 0.983 1.252 1.00 30.32 H new ATOM 0 HD21 ASN A 63 -17.521 0.727 3.679 1.00 52.34 H new ATOM 0 HD22 ASN A 63 -16.276 1.961 3.457 1.00 52.34 H new ATOM 966 N ASN A 64 -12.727 -1.529 0.216 1.00 1.11 N ATOM 967 CA ASN A 64 -12.009 -1.632 -1.049 1.00 64.15 C ATOM 968 C ASN A 64 -12.210 -0.378 -1.893 1.00 12.22 C ATOM 969 O ASN A 64 -13.342 0.047 -2.131 1.00 74.14 O ATOM 970 CB ASN A 64 -12.477 -2.865 -1.826 1.00 72.44 C ATOM 971 CG ASN A 64 -13.985 -3.023 -1.806 1.00 51.45 C ATOM 972 OD1 ASN A 64 -14.496 -3.671 -0.766 1.00 43.21 O flip ATOM 973 ND2 ASN A 64 -14.680 -2.567 -2.713 1.00 43.51 N flip ATOM 0 H ASN A 64 -13.329 -2.325 0.425 1.00 1.11 H new ATOM 0 HA ASN A 64 -10.946 -1.732 -0.828 1.00 64.15 H new ATOM 0 HB2 ASN A 64 -12.136 -2.791 -2.859 1.00 72.44 H new ATOM 0 HB3 ASN A 64 -12.015 -3.756 -1.400 1.00 72.44 H new ATOM 0 HD21 ASN A 64 -14.243 -2.076 -3.493 1.00 43.51 H new ATOM 0 HD22 ASN A 64 -15.693 -2.680 -2.685 1.00 43.51 H new ATOM 979 N ILE A 65 -11.107 0.209 -2.343 1.00 54.34 N ATOM 980 CA ILE A 65 -11.162 1.414 -3.162 1.00 14.44 C ATOM 981 C ILE A 65 -12.027 1.198 -4.399 1.00 51.34 C ATOM 982 O ILE A 65 -12.589 2.145 -4.950 1.00 11.04 O ATOM 983 CB ILE A 65 -9.756 1.860 -3.604 1.00 12.12 C ATOM 984 CG1 ILE A 65 -9.069 0.745 -4.394 1.00 74.11 C ATOM 985 CG2 ILE A 65 -8.920 2.253 -2.395 1.00 43.54 C ATOM 986 CD1 ILE A 65 -7.663 1.094 -4.832 1.00 2.01 C ATOM 0 H ILE A 65 -10.164 -0.130 -2.154 1.00 54.34 H new ATOM 0 HA ILE A 65 -11.604 2.196 -2.544 1.00 14.44 H new ATOM 0 HB ILE A 65 -9.854 2.731 -4.252 1.00 12.12 H new ATOM 0 HG12 ILE A 65 -9.037 -0.157 -3.782 1.00 74.11 H new ATOM 0 HG13 ILE A 65 -9.668 0.512 -5.274 1.00 74.11 H new ATOM 0 HG21 ILE A 65 -7.929 2.566 -2.724 1.00 43.54 H new ATOM 0 HG22 ILE A 65 -9.404 3.076 -1.870 1.00 43.54 H new ATOM 0 HG23 ILE A 65 -8.827 1.399 -1.724 1.00 43.54 H new ATOM 0 HD11 ILE A 65 -7.237 0.258 -5.387 1.00 2.01 H new ATOM 0 HD12 ILE A 65 -7.689 1.977 -5.470 1.00 2.01 H new ATOM 0 HD13 ILE A 65 -7.049 1.298 -3.955 1.00 2.01 H new ATOM 997 N THR A 66 -12.131 -0.055 -4.830 1.00 15.21 N ATOM 998 CA THR A 66 -12.928 -0.396 -6.002 1.00 54.22 C ATOM 999 C THR A 66 -14.381 0.027 -5.821 1.00 34.52 C ATOM 1000 O THR A 66 -15.088 0.286 -6.795 1.00 53.01 O ATOM 1001 CB THR A 66 -12.879 -1.908 -6.294 1.00 75.42 C ATOM 1002 OG1 THR A 66 -13.542 -2.630 -5.250 1.00 31.21 O ATOM 1003 CG2 THR A 66 -11.441 -2.389 -6.415 1.00 72.51 C ATOM 0 H THR A 66 -11.673 -0.851 -4.385 1.00 15.21 H new ATOM 0 HA THR A 66 -12.497 0.144 -6.845 1.00 54.22 H new ATOM 0 HB THR A 66 -13.387 -2.090 -7.241 1.00 75.42 H new ATOM 0 HG1 THR A 66 -13.508 -3.590 -5.444 1.00 31.21 H new ATOM 0 HG21 THR A 66 -11.431 -3.459 -6.621 1.00 72.51 H new ATOM 0 HG22 THR A 66 -10.947 -1.858 -7.229 1.00 72.51 H new ATOM 0 HG23 THR A 66 -10.913 -2.195 -5.482 1.00 72.51 H new ATOM 1011 N SER A 67 -14.820 0.097 -4.569 1.00 13.44 N ATOM 1012 CA SER A 67 -16.192 0.487 -4.260 1.00 33.31 C ATOM 1013 C SER A 67 -16.584 1.748 -5.027 1.00 64.32 C ATOM 1014 O SER A 67 -17.667 1.824 -5.605 1.00 40.53 O ATOM 1015 CB SER A 67 -16.353 0.721 -2.757 1.00 55.32 C ATOM 1016 OG SER A 67 -17.715 0.654 -2.373 1.00 22.53 O ATOM 0 H SER A 67 -14.246 -0.111 -3.752 1.00 13.44 H new ATOM 0 HA SER A 67 -16.852 -0.325 -4.566 1.00 33.31 H new ATOM 0 HB2 SER A 67 -15.780 -0.025 -2.206 1.00 55.32 H new ATOM 0 HB3 SER A 67 -15.945 1.696 -2.492 1.00 55.32 H new ATOM 0 HG SER A 67 -17.791 0.805 -1.408 1.00 22.53 H new ATOM 1021 N MET A 68 -15.692 2.733 -5.027 1.00 10.55 N ATOM 1022 CA MET A 68 -15.944 3.990 -5.722 1.00 31.24 C ATOM 1023 C MET A 68 -14.884 4.242 -6.791 1.00 3.33 C ATOM 1024 O MET A 68 -15.138 4.073 -7.983 1.00 4.04 O ATOM 1025 CB MET A 68 -15.968 5.153 -4.728 1.00 51.11 C ATOM 1026 CG MET A 68 -15.272 4.842 -3.413 1.00 73.35 C ATOM 1027 SD MET A 68 -15.300 6.233 -2.266 1.00 10.10 S ATOM 1028 CE MET A 68 -14.226 7.391 -3.111 1.00 60.51 C ATOM 0 H MET A 68 -14.789 2.685 -4.554 1.00 10.55 H new ATOM 0 HA MET A 68 -16.917 3.918 -6.208 1.00 31.24 H new ATOM 0 HB2 MET A 68 -15.493 6.021 -5.185 1.00 51.11 H new ATOM 0 HB3 MET A 68 -17.004 5.426 -4.526 1.00 51.11 H new ATOM 0 HG2 MET A 68 -15.753 3.982 -2.947 1.00 73.35 H new ATOM 0 HG3 MET A 68 -14.238 4.561 -3.611 1.00 73.35 H new ATOM 0 HE1 MET A 68 -13.719 8.019 -2.378 1.00 60.51 H new ATOM 0 HE2 MET A 68 -13.485 6.842 -3.693 1.00 60.51 H new ATOM 0 HE3 MET A 68 -14.819 8.018 -3.777 1.00 60.51 H new ATOM 1036 N LYS A 69 -13.696 4.646 -6.355 1.00 10.01 N ATOM 1037 CA LYS A 69 -12.597 4.920 -7.273 1.00 14.42 C ATOM 1038 C LYS A 69 -11.371 4.085 -6.918 1.00 72.34 C ATOM 1039 O LYS A 69 -10.975 4.009 -5.756 1.00 11.33 O ATOM 1040 CB LYS A 69 -12.240 6.408 -7.244 1.00 32.41 C ATOM 1041 CG LYS A 69 -13.109 7.260 -8.153 1.00 3.41 C ATOM 1042 CD LYS A 69 -13.126 8.712 -7.707 1.00 55.41 C ATOM 1043 CE LYS A 69 -13.987 8.906 -6.468 1.00 1.24 C ATOM 1044 NZ LYS A 69 -14.390 10.329 -6.289 1.00 72.14 N ATOM 0 H LYS A 69 -13.469 4.791 -5.371 1.00 10.01 H new ATOM 0 HA LYS A 69 -12.920 4.650 -8.278 1.00 14.42 H new ATOM 0 HB2 LYS A 69 -12.330 6.775 -6.221 1.00 32.41 H new ATOM 0 HB3 LYS A 69 -11.197 6.528 -7.535 1.00 32.41 H new ATOM 0 HG2 LYS A 69 -12.738 7.197 -9.176 1.00 3.41 H new ATOM 0 HG3 LYS A 69 -14.126 6.868 -8.158 1.00 3.41 H new ATOM 0 HD2 LYS A 69 -12.108 9.041 -7.499 1.00 55.41 H new ATOM 0 HD3 LYS A 69 -13.504 9.337 -8.516 1.00 55.41 H new ATOM 0 HE2 LYS A 69 -14.878 8.283 -6.544 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -13.438 8.571 -5.588 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -14.975 10.419 -5.434 1.00 72.14 H new ATOM 0 HZ2 LYS A 69 -13.540 10.921 -6.191 1.00 72.14 H new ATOM 0 HZ3 LYS A 69 -14.936 10.642 -7.117 1.00 72.14 H new ATOM 1054 N GLY A 70 -10.772 3.462 -7.928 1.00 72.40 N ATOM 1055 CA GLY A 70 -9.596 2.643 -7.702 1.00 71.15 C ATOM 1056 C GLY A 70 -8.448 3.429 -7.099 1.00 31.43 C ATOM 1057 O GLY A 70 -8.419 3.674 -5.892 1.00 31.21 O ATOM 0 H GLY A 70 -11.080 3.510 -8.899 1.00 72.40 H new ATOM 0 HA2 GLY A 70 -9.854 1.817 -7.039 1.00 71.15 H new ATOM 0 HA3 GLY A 70 -9.275 2.205 -8.647 1.00 71.15 H new ATOM 1061 N LEU A 71 -7.499 3.825 -7.940 1.00 72.15 N ATOM 1062 CA LEU A 71 -6.342 4.587 -7.483 1.00 25.54 C ATOM 1063 C LEU A 71 -6.717 6.042 -7.222 1.00 10.02 C ATOM 1064 O LEU A 71 -5.983 6.772 -6.557 1.00 13.35 O ATOM 1065 CB LEU A 71 -5.219 4.516 -8.520 1.00 71.40 C ATOM 1066 CG LEU A 71 -3.796 4.649 -7.978 1.00 62.14 C ATOM 1067 CD1 LEU A 71 -3.327 3.330 -7.381 1.00 13.33 C ATOM 1068 CD2 LEU A 71 -2.847 5.107 -9.075 1.00 64.32 C ATOM 0 H LEU A 71 -7.508 3.631 -8.941 1.00 72.15 H new ATOM 0 HA LEU A 71 -5.994 4.148 -6.548 1.00 25.54 H new ATOM 0 HB2 LEU A 71 -5.298 3.565 -9.047 1.00 71.40 H new ATOM 0 HB3 LEU A 71 -5.381 5.303 -9.256 1.00 71.40 H new ATOM 0 HG LEU A 71 -3.797 5.402 -7.190 1.00 62.14 H new ATOM 0 HD11 LEU A 71 -2.312 3.443 -7.000 1.00 13.33 H new ATOM 0 HD12 LEU A 71 -3.991 3.043 -6.565 1.00 13.33 H new ATOM 0 HD13 LEU A 71 -3.342 2.557 -8.149 1.00 13.33 H new ATOM 0 HD21 LEU A 71 -1.839 5.196 -8.670 1.00 64.32 H new ATOM 0 HD22 LEU A 71 -2.850 4.379 -9.886 1.00 64.32 H new ATOM 0 HD23 LEU A 71 -3.172 6.075 -9.456 1.00 64.32 H new ATOM 1079 N ASP A 72 -7.864 6.456 -7.749 1.00 2.21 N ATOM 1080 CA ASP A 72 -8.340 7.823 -7.570 1.00 44.10 C ATOM 1081 C ASP A 72 -8.902 8.023 -6.165 1.00 24.40 C ATOM 1082 O ASP A 72 -9.241 9.140 -5.774 1.00 0.32 O ATOM 1083 CB ASP A 72 -9.408 8.155 -8.612 1.00 61.22 C ATOM 1084 CG ASP A 72 -8.838 8.883 -9.814 1.00 62.21 C ATOM 1085 OD1 ASP A 72 -7.608 8.811 -10.023 1.00 2.34 O ATOM 1086 OD2 ASP A 72 -9.621 9.523 -10.545 1.00 62.31 O ATOM 0 H ASP A 72 -8.482 5.864 -8.304 1.00 2.21 H new ATOM 0 HA ASP A 72 -7.493 8.496 -7.703 1.00 44.10 H new ATOM 0 HB2 ASP A 72 -9.888 7.234 -8.943 1.00 61.22 H new ATOM 0 HB3 ASP A 72 -10.182 8.770 -8.152 1.00 61.22 H new ATOM 1090 N THR A 73 -8.999 6.933 -5.411 1.00 41.23 N ATOM 1091 CA THR A 73 -9.522 6.987 -4.052 1.00 53.43 C ATOM 1092 C THR A 73 -8.658 7.878 -3.166 1.00 33.11 C ATOM 1093 O THR A 73 -7.445 7.693 -3.079 1.00 3.32 O ATOM 1094 CB THR A 73 -9.603 5.584 -3.424 1.00 62.13 C ATOM 1095 OG1 THR A 73 -10.949 5.098 -3.481 1.00 62.20 O ATOM 1096 CG2 THR A 73 -9.129 5.608 -1.979 1.00 54.13 C ATOM 0 H THR A 73 -8.722 6.001 -5.719 1.00 41.23 H new ATOM 0 HA THR A 73 -10.526 7.406 -4.117 1.00 53.43 H new ATOM 0 HB THR A 73 -8.952 4.919 -3.992 1.00 62.13 H new ATOM 0 HG1 THR A 73 -11.189 4.907 -4.412 1.00 62.20 H new ATOM 0 HG21 THR A 73 -9.196 4.605 -1.557 1.00 54.13 H new ATOM 0 HG22 THR A 73 -8.095 5.949 -1.941 1.00 54.13 H new ATOM 0 HG23 THR A 73 -9.757 6.287 -1.401 1.00 54.13 H new ATOM 1104 N GLU A 74 -9.292 8.846 -2.511 1.00 12.53 N ATOM 1105 CA GLU A 74 -8.580 9.766 -1.631 1.00 21.34 C ATOM 1106 C GLU A 74 -8.566 9.247 -0.197 1.00 23.24 C ATOM 1107 O GLU A 74 -9.568 8.728 0.296 1.00 50.43 O ATOM 1108 CB GLU A 74 -9.226 11.152 -1.678 1.00 53.24 C ATOM 1109 CG GLU A 74 -10.713 11.142 -1.368 1.00 74.21 C ATOM 1110 CD GLU A 74 -11.569 11.129 -2.620 1.00 30.02 C ATOM 1111 OE1 GLU A 74 -11.589 12.153 -3.335 1.00 51.50 O ATOM 1112 OE2 GLU A 74 -12.218 10.096 -2.885 1.00 51.24 O ATOM 0 H GLU A 74 -10.296 9.013 -2.573 1.00 12.53 H new ATOM 0 HA GLU A 74 -7.550 9.840 -1.981 1.00 21.34 H new ATOM 0 HB2 GLU A 74 -8.720 11.804 -0.966 1.00 53.24 H new ATOM 0 HB3 GLU A 74 -9.073 11.581 -2.668 1.00 53.24 H new ATOM 0 HG2 GLU A 74 -10.948 10.267 -0.762 1.00 74.21 H new ATOM 0 HG3 GLU A 74 -10.962 12.019 -0.771 1.00 74.21 H new ATOM 1117 N ILE A 75 -7.424 9.389 0.466 1.00 62.22 N ATOM 1118 CA ILE A 75 -7.279 8.935 1.843 1.00 53.22 C ATOM 1119 C ILE A 75 -7.114 10.114 2.797 1.00 61.34 C ATOM 1120 O ILE A 75 -6.195 10.920 2.651 1.00 74.34 O ATOM 1121 CB ILE A 75 -6.073 7.989 2.001 1.00 32.13 C ATOM 1122 CG1 ILE A 75 -4.845 8.573 1.302 1.00 75.32 C ATOM 1123 CG2 ILE A 75 -6.404 6.613 1.442 1.00 33.42 C ATOM 1124 CD1 ILE A 75 -3.618 7.692 1.399 1.00 22.25 C ATOM 0 H ILE A 75 -6.585 9.815 0.072 1.00 62.22 H new ATOM 0 HA ILE A 75 -8.191 8.393 2.093 1.00 53.22 H new ATOM 0 HB ILE A 75 -5.847 7.884 3.062 1.00 32.13 H new ATOM 0 HG12 ILE A 75 -5.080 8.740 0.251 1.00 75.32 H new ATOM 0 HG13 ILE A 75 -4.618 9.547 1.736 1.00 75.32 H new ATOM 0 HG21 ILE A 75 -5.543 5.955 1.560 1.00 33.42 H new ATOM 0 HG22 ILE A 75 -7.255 6.197 1.981 1.00 33.42 H new ATOM 0 HG23 ILE A 75 -6.651 6.700 0.384 1.00 33.42 H new ATOM 0 HD11 ILE A 75 -2.786 8.169 0.881 1.00 22.25 H new ATOM 0 HD12 ILE A 75 -3.357 7.546 2.447 1.00 22.25 H new ATOM 0 HD13 ILE A 75 -3.826 6.726 0.939 1.00 22.25 H new ATOM 1135 N LYS A 76 -8.009 10.208 3.774 1.00 33.32 N ATOM 1136 CA LYS A 76 -7.961 11.286 4.754 1.00 21.21 C ATOM 1137 C LYS A 76 -7.037 10.927 5.913 1.00 2.30 C ATOM 1138 O LYS A 76 -6.531 9.809 5.992 1.00 45.34 O ATOM 1139 CB LYS A 76 -9.366 11.586 5.282 1.00 24.01 C ATOM 1140 CG LYS A 76 -10.329 12.065 4.210 1.00 23.35 C ATOM 1141 CD LYS A 76 -11.590 12.656 4.817 1.00 4.11 C ATOM 1142 CE LYS A 76 -11.361 14.079 5.304 1.00 44.51 C ATOM 1143 NZ LYS A 76 -12.631 14.732 5.727 1.00 70.04 N ATOM 0 H LYS A 76 -8.777 9.550 3.908 1.00 33.32 H new ATOM 0 HA LYS A 76 -7.567 12.175 4.260 1.00 21.21 H new ATOM 0 HB2 LYS A 76 -9.770 10.686 5.746 1.00 24.01 H new ATOM 0 HB3 LYS A 76 -9.298 12.344 6.062 1.00 24.01 H new ATOM 0 HG2 LYS A 76 -9.839 12.813 3.587 1.00 23.35 H new ATOM 0 HG3 LYS A 76 -10.594 11.232 3.559 1.00 23.35 H new ATOM 0 HD2 LYS A 76 -12.390 12.648 4.076 1.00 4.11 H new ATOM 0 HD3 LYS A 76 -11.920 12.034 5.649 1.00 4.11 H new ATOM 0 HE2 LYS A 76 -10.662 14.068 6.140 1.00 44.51 H new ATOM 0 HE3 LYS A 76 -10.899 14.665 4.509 1.00 44.51 H new ATOM 0 HZ1 LYS A 76 -12.432 15.700 6.052 1.00 70.04 H new ATOM 0 HZ2 LYS A 76 -13.289 14.765 4.922 1.00 70.04 H new ATOM 0 HZ3 LYS A 76 -13.060 14.188 6.503 1.00 70.04 H new ATOM 1153 N ASP A 77 -6.824 11.882 6.812 1.00 32.10 N ATOM 1154 CA ASP A 77 -5.963 11.666 7.969 1.00 61.23 C ATOM 1155 C ASP A 77 -6.525 10.568 8.866 1.00 71.24 C ATOM 1156 O ASP A 77 -5.777 9.856 9.536 1.00 73.52 O ATOM 1157 CB ASP A 77 -5.806 12.963 8.764 1.00 3.43 C ATOM 1158 CG ASP A 77 -5.661 14.178 7.869 1.00 10.53 C ATOM 1159 OD1 ASP A 77 -6.688 14.649 7.337 1.00 35.05 O ATOM 1160 OD2 ASP A 77 -4.520 14.657 7.702 1.00 13.14 O ATOM 0 H ASP A 77 -7.236 12.814 6.762 1.00 32.10 H new ATOM 0 HA ASP A 77 -4.984 11.350 7.609 1.00 61.23 H new ATOM 0 HB2 ASP A 77 -6.672 13.095 9.413 1.00 3.43 H new ATOM 0 HB3 ASP A 77 -4.932 12.886 9.411 1.00 3.43 H new ATOM 1164 N ASP A 78 -7.847 10.438 8.876 1.00 22.13 N ATOM 1165 CA ASP A 78 -8.510 9.427 9.692 1.00 74.32 C ATOM 1166 C ASP A 78 -8.436 8.057 9.025 1.00 72.14 C ATOM 1167 O ASP A 78 -8.347 7.031 9.700 1.00 60.12 O ATOM 1168 CB ASP A 78 -9.970 9.813 9.932 1.00 51.21 C ATOM 1169 CG ASP A 78 -10.126 11.266 10.338 1.00 62.43 C ATOM 1170 OD1 ASP A 78 -9.685 11.622 11.450 1.00 60.01 O ATOM 1171 OD2 ASP A 78 -10.688 12.045 9.542 1.00 33.44 O ATOM 0 H ASP A 78 -8.481 11.020 8.328 1.00 22.13 H new ATOM 0 HA ASP A 78 -7.994 9.373 10.651 1.00 74.32 H new ATOM 0 HB2 ASP A 78 -10.545 9.629 9.025 1.00 51.21 H new ATOM 0 HB3 ASP A 78 -10.388 9.174 10.710 1.00 51.21 H new ATOM 1175 N ASP A 79 -8.474 8.049 7.697 1.00 65.13 N ATOM 1176 CA ASP A 79 -8.412 6.804 6.938 1.00 52.00 C ATOM 1177 C ASP A 79 -7.227 5.954 7.385 1.00 42.24 C ATOM 1178 O ASP A 79 -6.222 6.476 7.870 1.00 2.12 O ATOM 1179 CB ASP A 79 -8.307 7.099 5.441 1.00 55.52 C ATOM 1180 CG ASP A 79 -9.638 7.500 4.836 1.00 31.03 C ATOM 1181 OD1 ASP A 79 -10.448 8.128 5.548 1.00 1.25 O ATOM 1182 OD2 ASP A 79 -9.869 7.185 3.650 1.00 4.24 O ATOM 0 H ASP A 79 -8.547 8.889 7.124 1.00 65.13 H new ATOM 0 HA ASP A 79 -9.329 6.246 7.127 1.00 52.00 H new ATOM 0 HB2 ASP A 79 -7.583 7.898 5.281 1.00 55.52 H new ATOM 0 HB3 ASP A 79 -7.928 6.217 4.925 1.00 55.52 H new ATOM 1186 N LYS A 80 -7.352 4.641 7.221 1.00 73.25 N ATOM 1187 CA LYS A 80 -6.292 3.717 7.607 1.00 12.31 C ATOM 1188 C LYS A 80 -6.246 2.518 6.666 1.00 73.43 C ATOM 1189 O LYS A 80 -7.282 1.969 6.295 1.00 24.34 O ATOM 1190 CB LYS A 80 -6.501 3.241 9.047 1.00 3.12 C ATOM 1191 CG LYS A 80 -7.741 2.381 9.228 1.00 73.14 C ATOM 1192 CD LYS A 80 -8.199 2.363 10.677 1.00 13.13 C ATOM 1193 CE LYS A 80 -7.407 1.359 11.500 1.00 71.21 C ATOM 1194 NZ LYS A 80 -6.081 1.901 11.908 1.00 4.41 N ATOM 0 H LYS A 80 -8.177 4.193 6.823 1.00 73.25 H new ATOM 0 HA LYS A 80 -5.341 4.246 7.540 1.00 12.31 H new ATOM 0 HB2 LYS A 80 -5.626 2.674 9.364 1.00 3.12 H new ATOM 0 HB3 LYS A 80 -6.572 4.110 9.702 1.00 3.12 H new ATOM 0 HG2 LYS A 80 -8.544 2.761 8.596 1.00 73.14 H new ATOM 0 HG3 LYS A 80 -7.531 1.363 8.899 1.00 73.14 H new ATOM 0 HD2 LYS A 80 -8.086 3.358 11.108 1.00 13.13 H new ATOM 0 HD3 LYS A 80 -9.260 2.115 10.721 1.00 13.13 H new ATOM 0 HE2 LYS A 80 -7.977 1.087 12.388 1.00 71.21 H new ATOM 0 HE3 LYS A 80 -7.264 0.447 10.921 1.00 71.21 H new ATOM 0 HZ1 LYS A 80 -5.836 1.545 12.854 1.00 4.41 H new ATOM 0 HZ2 LYS A 80 -5.357 1.597 11.226 1.00 4.41 H new ATOM 0 HZ3 LYS A 80 -6.122 2.940 11.930 1.00 4.41 H new ATOM 1204 N ILE A 81 -5.036 2.118 6.284 1.00 5.54 N ATOM 1205 CA ILE A 81 -4.857 0.983 5.388 1.00 62.42 C ATOM 1206 C ILE A 81 -4.348 -0.240 6.145 1.00 35.42 C ATOM 1207 O ILE A 81 -3.497 -0.127 7.027 1.00 13.44 O ATOM 1208 CB ILE A 81 -3.872 1.314 4.250 1.00 14.53 C ATOM 1209 CG1 ILE A 81 -4.289 2.608 3.549 1.00 75.34 C ATOM 1210 CG2 ILE A 81 -3.805 0.164 3.257 1.00 11.15 C ATOM 1211 CD1 ILE A 81 -3.668 3.849 4.153 1.00 31.35 C ATOM 0 H ILE A 81 -4.168 2.563 6.581 1.00 5.54 H new ATOM 0 HA ILE A 81 -5.835 0.762 4.959 1.00 62.42 H new ATOM 0 HB ILE A 81 -2.879 1.457 4.676 1.00 14.53 H new ATOM 0 HG12 ILE A 81 -4.011 2.548 2.497 1.00 75.34 H new ATOM 0 HG13 ILE A 81 -5.375 2.699 3.587 1.00 75.34 H new ATOM 0 HG21 ILE A 81 -3.105 0.413 2.459 1.00 11.15 H new ATOM 0 HG22 ILE A 81 -3.468 -0.738 3.767 1.00 11.15 H new ATOM 0 HG23 ILE A 81 -4.794 -0.008 2.832 1.00 11.15 H new ATOM 0 HD11 ILE A 81 -4.008 4.729 3.606 1.00 31.35 H new ATOM 0 HD12 ILE A 81 -3.967 3.934 5.198 1.00 31.35 H new ATOM 0 HD13 ILE A 81 -2.582 3.780 4.090 1.00 31.35 H new ATOM 1222 N ASP A 82 -4.874 -1.408 5.792 1.00 14.42 N ATOM 1223 CA ASP A 82 -4.472 -2.652 6.437 1.00 24.31 C ATOM 1224 C ASP A 82 -4.329 -3.773 5.411 1.00 32.15 C ATOM 1225 O ASP A 82 -5.204 -3.971 4.567 1.00 4.25 O ATOM 1226 CB ASP A 82 -5.490 -3.050 7.506 1.00 3.44 C ATOM 1227 CG ASP A 82 -5.515 -2.081 8.671 1.00 54.03 C ATOM 1228 OD1 ASP A 82 -4.591 -2.138 9.512 1.00 63.30 O ATOM 1229 OD2 ASP A 82 -6.455 -1.263 8.743 1.00 4.33 O ATOM 0 H ASP A 82 -5.579 -1.519 5.063 1.00 14.42 H new ATOM 0 HA ASP A 82 -3.504 -2.491 6.911 1.00 24.31 H new ATOM 0 HB2 ASP A 82 -6.482 -3.100 7.058 1.00 3.44 H new ATOM 0 HB3 ASP A 82 -5.255 -4.049 7.873 1.00 3.44 H new ATOM 1233 N LEU A 83 -3.221 -4.502 5.489 1.00 4.22 N ATOM 1234 CA LEU A 83 -2.964 -5.603 4.567 1.00 72.45 C ATOM 1235 C LEU A 83 -3.109 -6.948 5.271 1.00 11.02 C ATOM 1236 O LEU A 83 -2.737 -7.095 6.435 1.00 45.21 O ATOM 1237 CB LEU A 83 -1.560 -5.476 3.971 1.00 31.11 C ATOM 1238 CG LEU A 83 -1.303 -6.264 2.687 1.00 32.12 C ATOM 1239 CD1 LEU A 83 -0.740 -5.355 1.606 1.00 31.12 C ATOM 1240 CD2 LEU A 83 -0.358 -7.426 2.955 1.00 30.41 C ATOM 0 H LEU A 83 -2.487 -4.351 6.181 1.00 4.22 H new ATOM 0 HA LEU A 83 -3.700 -5.553 3.765 1.00 72.45 H new ATOM 0 HB2 LEU A 83 -1.365 -4.422 3.772 1.00 31.11 H new ATOM 0 HB3 LEU A 83 -0.838 -5.797 4.722 1.00 31.11 H new ATOM 0 HG LEU A 83 -2.252 -6.667 2.335 1.00 32.12 H new ATOM 0 HD11 LEU A 83 -0.563 -5.934 0.699 1.00 31.12 H new ATOM 0 HD12 LEU A 83 -1.452 -4.557 1.394 1.00 31.12 H new ATOM 0 HD13 LEU A 83 0.200 -4.921 1.948 1.00 31.12 H new ATOM 0 HD21 LEU A 83 -0.186 -7.976 2.030 1.00 30.41 H new ATOM 0 HD22 LEU A 83 0.591 -7.044 3.332 1.00 30.41 H new ATOM 0 HD23 LEU A 83 -0.801 -8.092 3.696 1.00 30.41 H new ATOM 1251 N PHE A 84 -3.651 -7.928 4.555 1.00 51.15 N ATOM 1252 CA PHE A 84 -3.845 -9.263 5.111 1.00 34.20 C ATOM 1253 C PHE A 84 -3.224 -10.323 4.207 1.00 63.34 C ATOM 1254 O PHE A 84 -3.277 -10.238 2.980 1.00 10.22 O ATOM 1255 CB PHE A 84 -5.336 -9.548 5.300 1.00 20.11 C ATOM 1256 CG PHE A 84 -5.693 -9.973 6.696 1.00 62.31 C ATOM 1257 CD1 PHE A 84 -5.596 -9.082 7.752 1.00 52.12 C ATOM 1258 CD2 PHE A 84 -6.126 -11.264 6.951 1.00 63.10 C ATOM 1259 CE1 PHE A 84 -5.922 -9.471 9.037 1.00 51.13 C ATOM 1260 CE2 PHE A 84 -6.455 -11.659 8.234 1.00 44.21 C ATOM 1261 CZ PHE A 84 -6.354 -10.761 9.279 1.00 74.41 C ATOM 0 H PHE A 84 -3.963 -7.823 3.590 1.00 51.15 H new ATOM 0 HA PHE A 84 -3.349 -9.301 6.081 1.00 34.20 H new ATOM 0 HB2 PHE A 84 -5.904 -8.653 5.045 1.00 20.11 H new ATOM 0 HB3 PHE A 84 -5.640 -10.328 4.602 1.00 20.11 H new ATOM 0 HD1 PHE A 84 -5.262 -8.072 7.569 1.00 52.12 H new ATOM 0 HD2 PHE A 84 -6.207 -11.970 6.138 1.00 63.10 H new ATOM 0 HE1 PHE A 84 -5.839 -8.767 9.852 1.00 51.13 H new ATOM 0 HE2 PHE A 84 -6.791 -12.669 8.419 1.00 44.21 H new ATOM 0 HZ PHE A 84 -6.612 -11.066 10.282 1.00 74.41 H new ATOM 1270 N PRO A 85 -2.618 -11.347 4.827 1.00 22.34 N ATOM 1271 CA PRO A 85 -1.974 -12.445 4.098 1.00 1.32 C ATOM 1272 C PRO A 85 -2.985 -13.342 3.391 1.00 71.42 C ATOM 1273 O PRO A 85 -4.182 -13.315 3.675 1.00 15.20 O ATOM 1274 CB PRO A 85 -1.248 -13.222 5.198 1.00 55.03 C ATOM 1275 CG PRO A 85 -2.009 -12.920 6.443 1.00 64.42 C ATOM 1276 CD PRO A 85 -2.517 -11.514 6.286 1.00 74.50 C ATOM 0 HA PRO A 85 -1.316 -12.081 3.309 1.00 1.32 H new ATOM 0 HB2 PRO A 85 -1.241 -14.292 4.988 1.00 55.03 H new ATOM 0 HB3 PRO A 85 -0.208 -12.907 5.284 1.00 55.03 H new ATOM 0 HG2 PRO A 85 -2.834 -13.620 6.576 1.00 64.42 H new ATOM 0 HG3 PRO A 85 -1.371 -13.009 7.322 1.00 64.42 H new ATOM 0 HD2 PRO A 85 -3.483 -11.379 6.773 1.00 74.50 H new ATOM 0 HD3 PRO A 85 -1.833 -10.788 6.727 1.00 74.50 H new ATOM 1281 N PRO A 86 -2.493 -14.158 2.446 1.00 13.01 N ATOM 1282 CA PRO A 86 -3.337 -15.079 1.679 1.00 42.14 C ATOM 1283 C PRO A 86 -3.867 -16.227 2.534 1.00 31.33 C ATOM 1284 O PRO A 86 -3.243 -16.619 3.520 1.00 24.52 O ATOM 1285 CB PRO A 86 -2.390 -15.610 0.599 1.00 32.15 C ATOM 1286 CG PRO A 86 -1.028 -15.470 1.186 1.00 11.15 C ATOM 1287 CD PRO A 86 -1.076 -14.244 2.055 1.00 51.31 C ATOM 0 HA PRO A 86 -4.225 -14.586 1.283 1.00 42.14 H new ATOM 0 HB2 PRO A 86 -2.611 -16.649 0.355 1.00 32.15 H new ATOM 0 HB3 PRO A 86 -2.483 -15.039 -0.325 1.00 32.15 H new ATOM 0 HG2 PRO A 86 -0.762 -16.352 1.769 1.00 11.15 H new ATOM 0 HG3 PRO A 86 -0.275 -15.365 0.405 1.00 11.15 H new ATOM 0 HD2 PRO A 86 -0.425 -14.341 2.924 1.00 51.31 H new ATOM 0 HD3 PRO A 86 -0.754 -13.355 1.513 1.00 51.31 H new ATOM 1292 N VAL A 87 -5.022 -16.761 2.147 1.00 51.13 N ATOM 1293 CA VAL A 87 -5.634 -17.864 2.877 1.00 0.52 C ATOM 1294 C VAL A 87 -4.706 -19.072 2.929 1.00 53.10 C ATOM 1295 O VAL A 87 -4.715 -19.833 3.896 1.00 50.51 O ATOM 1296 CB VAL A 87 -6.971 -18.285 2.237 1.00 41.31 C ATOM 1297 CG1 VAL A 87 -8.044 -17.240 2.504 1.00 71.34 C ATOM 1298 CG2 VAL A 87 -6.798 -18.514 0.744 1.00 31.23 C ATOM 0 H VAL A 87 -5.551 -16.448 1.333 1.00 51.13 H new ATOM 0 HA VAL A 87 -5.819 -17.509 3.891 1.00 0.52 H new ATOM 0 HB VAL A 87 -7.291 -19.223 2.690 1.00 41.31 H new ATOM 0 HG11 VAL A 87 -8.981 -17.555 2.044 1.00 71.34 H new ATOM 0 HG12 VAL A 87 -8.186 -17.131 3.579 1.00 71.34 H new ATOM 0 HG13 VAL A 87 -7.735 -16.285 2.080 1.00 71.34 H new ATOM 0 HG21 VAL A 87 -7.752 -18.811 0.308 1.00 31.23 H new ATOM 0 HG22 VAL A 87 -6.454 -17.594 0.272 1.00 31.23 H new ATOM 0 HG23 VAL A 87 -6.063 -19.302 0.580 1.00 31.23 H new ATOM 1308 N ALA A 88 -3.904 -19.241 1.883 1.00 11.21 N ATOM 1309 CA ALA A 88 -2.967 -20.354 1.811 1.00 41.35 C ATOM 1310 C ALA A 88 -1.565 -19.921 2.228 1.00 2.42 C ATOM 1311 O ALA A 88 -0.569 -20.422 1.709 1.00 32.33 O ATOM 1312 CB ALA A 88 -2.944 -20.935 0.406 1.00 24.53 C ATOM 0 H ALA A 88 -3.885 -18.621 1.074 1.00 11.21 H new ATOM 0 HA ALA A 88 -3.303 -21.124 2.506 1.00 41.35 H new ATOM 0 HB1 ALA A 88 -2.239 -21.766 0.367 1.00 24.53 H new ATOM 0 HB2 ALA A 88 -3.940 -21.291 0.143 1.00 24.53 H new ATOM 0 HB3 ALA A 88 -2.636 -20.165 -0.301 1.00 24.53 H new