USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 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 45 MET CE :methyl 148:sc= -0.931 (180deg=-2.45!) USER MOD Set 1.2: A 80 MET CE :methyl -112:sc= -0.0784 (180deg=-2.04!) USER MOD Set 2.1: A 35 CYS SG : rot -106:sc= -1.66 USER MOD Set 2.2: A 69 SER OG : rot -88:sc= 1.15 USER MOD Set 2.3: A 71 THR OG1 : rot -51:sc= 0.513 USER MOD Set 3.1: A 18 ASN : amide:sc= 0.381 K(o=0.57,f=-0.19) USER MOD Set 3.2: A 21 LYS NZ :NH3+ -117:sc= 0.189 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 5 TYR OH : rot 99:sc= 0.11 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.326 X(o=0.33,f=0) USER MOD Single : A 13 THR OG1 : rot -169:sc= -0.0421 USER MOD Single : A 16 GLN : amide:sc= -0.878 K(o=-0.88,f=-0.36) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0529 USER MOD Single : A 38 THR OG1 : rot -76:sc= 0.5 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -129:sc= -0.853 (180deg=-2.34!) USER MOD Single : A 50 GLN : amide:sc= -2.1 K(o=-2.1,f=-4.5!) USER MOD Single : A 51 ASN : amide:sc= -0.868 K(o=-0.87,f=-2.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.712 USER MOD Single : A 58 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.21) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -150:sc= -1.71! (180deg=-4.12!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -136:sc= -1.21 (180deg=-3.61!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.019 3.752 10.966 1.00 0.00 N ATOM 2 CA MET A 1 -5.820 4.708 10.146 1.00 0.00 C ATOM 3 C MET A 1 -5.014 5.126 8.914 1.00 0.00 C ATOM 4 O MET A 1 -4.167 6.021 8.980 1.00 0.00 O ATOM 5 CB MET A 1 -6.162 5.944 10.989 1.00 0.00 C ATOM 6 CG MET A 1 -7.459 6.576 10.475 1.00 0.00 C ATOM 7 SD MET A 1 -7.540 8.304 11.009 1.00 0.00 S ATOM 8 CE MET A 1 -8.187 8.003 12.672 1.00 0.00 C ATOM 0 H1 MET A 1 -5.567 3.468 11.803 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.795 2.910 10.398 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.136 4.210 11.270 1.00 0.00 H new ATOM 0 HA MET A 1 -6.743 4.227 9.823 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.273 5.663 12.036 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.348 6.668 10.938 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.498 6.518 9.387 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.320 6.026 10.855 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.316 8.953 13.190 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.149 7.495 12.602 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.487 7.379 13.228 1.00 0.00 H new ATOM 20 N ASN A 2 -5.290 4.463 7.789 1.00 0.00 N ATOM 21 CA ASN A 2 -4.593 4.765 6.537 1.00 0.00 C ATOM 22 C ASN A 2 -5.579 4.766 5.366 1.00 0.00 C ATOM 23 O ASN A 2 -5.463 3.974 4.427 1.00 0.00 O ATOM 24 CB ASN A 2 -3.484 3.735 6.279 1.00 0.00 C ATOM 25 CG ASN A 2 -2.213 4.158 7.011 1.00 0.00 C ATOM 26 OD1 ASN A 2 -1.740 3.455 7.903 1.00 0.00 O ATOM 27 ND2 ASN A 2 -1.625 5.279 6.684 1.00 0.00 N ATOM 0 H ASN A 2 -5.985 3.720 7.719 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.144 5.754 6.625 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.802 2.750 6.621 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.290 3.654 5.209 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.776 5.569 7.168 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.016 5.863 5.945 1.00 0.00 H new ATOM 34 N ASP A 3 -6.559 5.671 5.441 1.00 0.00 N ATOM 35 CA ASP A 3 -7.576 5.784 4.391 1.00 0.00 C ATOM 36 C ASP A 3 -7.385 7.062 3.560 1.00 0.00 C ATOM 37 O ASP A 3 -8.297 7.488 2.847 1.00 0.00 O ATOM 38 CB ASP A 3 -8.977 5.790 5.014 1.00 0.00 C ATOM 39 CG ASP A 3 -9.285 4.412 5.595 1.00 0.00 C ATOM 40 OD1 ASP A 3 -9.808 3.586 4.863 1.00 0.00 O ATOM 41 OD2 ASP A 3 -8.992 4.202 6.761 1.00 0.00 O ATOM 0 H ASP A 3 -6.670 6.331 6.211 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.467 4.923 3.731 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.035 6.547 5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.720 6.053 4.261 1.00 0.00 H new ATOM 46 N ILE A 4 -6.193 7.667 3.650 1.00 0.00 N ATOM 47 CA ILE A 4 -5.904 8.892 2.893 1.00 0.00 C ATOM 48 C ILE A 4 -5.628 8.570 1.421 1.00 0.00 C ATOM 49 O ILE A 4 -5.942 9.363 0.532 1.00 0.00 O ATOM 50 CB ILE A 4 -4.700 9.644 3.487 1.00 0.00 C ATOM 51 CG1 ILE A 4 -3.442 8.763 3.443 1.00 0.00 C ATOM 52 CG2 ILE A 4 -4.998 10.025 4.940 1.00 0.00 C ATOM 53 CD1 ILE A 4 -2.623 9.098 2.194 1.00 0.00 C ATOM 0 H ILE A 4 -5.423 7.334 4.231 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.785 9.531 2.961 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.525 10.543 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.841 8.925 4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.723 7.710 3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.144 10.557 5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.878 10.667 4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.184 9.122 5.522 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.731 8.472 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.225 8.914 1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.329 10.147 2.222 1.00 0.00 H new ATOM 65 N TYR A 5 -5.045 7.391 1.176 1.00 0.00 N ATOM 66 CA TYR A 5 -4.735 6.960 -0.191 1.00 0.00 C ATOM 67 C TYR A 5 -6.021 6.659 -0.962 1.00 0.00 C ATOM 68 O TYR A 5 -6.093 6.863 -2.176 1.00 0.00 O ATOM 69 CB TYR A 5 -3.858 5.701 -0.176 1.00 0.00 C ATOM 70 CG TYR A 5 -2.548 6.002 0.518 1.00 0.00 C ATOM 71 CD1 TYR A 5 -1.554 6.725 -0.149 1.00 0.00 C ATOM 72 CD2 TYR A 5 -2.333 5.559 1.830 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.342 7.005 0.494 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.121 5.839 2.472 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.125 6.563 1.804 1.00 0.00 C ATOM 76 OH TYR A 5 1.071 6.841 2.435 1.00 0.00 O ATOM 0 H TYR A 5 -4.780 6.723 1.900 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.196 7.771 -0.682 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.376 4.891 0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.672 5.363 -1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.721 7.067 -1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.102 5.002 2.345 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.426 7.563 -0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.954 5.497 3.483 1.00 0.00 H new ATOM 0 HH TYR A 5 0.958 7.616 3.024 1.00 0.00 H new ATOM 86 N LYS A 6 -7.038 6.177 -0.237 1.00 0.00 N ATOM 87 CA LYS A 6 -8.329 5.853 -0.850 1.00 0.00 C ATOM 88 C LYS A 6 -9.060 7.122 -1.305 1.00 0.00 C ATOM 89 O LYS A 6 -9.917 7.070 -2.188 1.00 0.00 O ATOM 90 CB LYS A 6 -9.218 5.091 0.141 1.00 0.00 C ATOM 91 CG LYS A 6 -9.695 3.781 -0.497 1.00 0.00 C ATOM 92 CD LYS A 6 -8.511 2.819 -0.658 1.00 0.00 C ATOM 93 CE LYS A 6 -8.265 2.077 0.660 1.00 0.00 C ATOM 94 NZ LYS A 6 -8.883 0.721 0.593 1.00 0.00 N ATOM 0 H LYS A 6 -6.992 6.004 0.767 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.130 5.227 -1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.663 4.881 1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.075 5.704 0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.465 3.323 0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.146 3.982 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.716 2.105 -1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.617 3.372 -0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.195 1.991 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.689 2.641 1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.715 0.218 1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.907 0.813 0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.458 0.184 -0.190 1.00 0.00 H new ATOM 108 N ALA A 7 -8.711 8.265 -0.700 1.00 0.00 N ATOM 109 CA ALA A 7 -9.340 9.536 -1.063 1.00 0.00 C ATOM 110 C ALA A 7 -8.908 9.976 -2.466 1.00 0.00 C ATOM 111 O ALA A 7 -9.694 10.570 -3.204 1.00 0.00 O ATOM 112 CB ALA A 7 -8.961 10.628 -0.058 1.00 0.00 C ATOM 0 H ALA A 7 -8.005 8.334 0.033 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.420 9.388 -1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.437 11.566 -0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.297 10.339 0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.879 10.758 -0.052 1.00 0.00 H new ATOM 118 N ALA A 8 -7.653 9.674 -2.827 1.00 0.00 N ATOM 119 CA ALA A 8 -7.128 10.043 -4.146 1.00 0.00 C ATOM 120 C ALA A 8 -7.725 9.154 -5.234 1.00 0.00 C ATOM 121 O ALA A 8 -8.111 9.639 -6.298 1.00 0.00 O ATOM 122 CB ALA A 8 -5.604 9.910 -4.176 1.00 0.00 C ATOM 0 H ALA A 8 -6.990 9.180 -2.230 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.406 11.080 -4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.234 10.188 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.166 10.568 -3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.324 8.879 -3.961 1.00 0.00 H new ATOM 128 N VAL A 9 -7.802 7.850 -4.954 1.00 0.00 N ATOM 129 CA VAL A 9 -8.366 6.899 -5.917 1.00 0.00 C ATOM 130 C VAL A 9 -9.878 7.127 -6.086 1.00 0.00 C ATOM 131 O VAL A 9 -10.467 6.721 -7.089 1.00 0.00 O ATOM 132 CB VAL A 9 -8.096 5.452 -5.470 1.00 0.00 C ATOM 133 CG1 VAL A 9 -8.957 5.099 -4.256 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.413 4.490 -6.618 1.00 0.00 C ATOM 0 H VAL A 9 -7.485 7.432 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.881 7.064 -6.879 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.045 5.361 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.754 4.072 -3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.721 5.774 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.011 5.199 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.221 3.466 -6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.461 4.592 -6.899 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.783 4.727 -7.475 1.00 0.00 H new ATOM 144 N GLU A 10 -10.495 7.790 -5.100 1.00 0.00 N ATOM 145 CA GLU A 10 -11.928 8.078 -5.159 1.00 0.00 C ATOM 146 C GLU A 10 -12.207 9.321 -6.014 1.00 0.00 C ATOM 147 O GLU A 10 -13.320 9.495 -6.515 1.00 0.00 O ATOM 148 CB GLU A 10 -12.490 8.305 -3.751 1.00 0.00 C ATOM 149 CG GLU A 10 -12.879 6.961 -3.128 1.00 0.00 C ATOM 150 CD GLU A 10 -14.276 6.561 -3.597 1.00 0.00 C ATOM 151 OE1 GLU A 10 -15.232 6.956 -2.950 1.00 0.00 O ATOM 152 OE2 GLU A 10 -14.368 5.867 -4.596 1.00 0.00 O ATOM 0 H GLU A 10 -10.027 8.133 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.416 7.216 -5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.747 8.804 -3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.360 8.961 -3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.157 6.195 -3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.857 7.033 -2.041 1.00 0.00 H new ATOM 159 N GLN A 11 -11.192 10.184 -6.178 1.00 0.00 N ATOM 160 CA GLN A 11 -11.358 11.404 -6.976 1.00 0.00 C ATOM 161 C GLN A 11 -10.220 11.560 -7.995 1.00 0.00 C ATOM 162 O GLN A 11 -9.846 12.677 -8.362 1.00 0.00 O ATOM 163 CB GLN A 11 -11.400 12.640 -6.063 1.00 0.00 C ATOM 164 CG GLN A 11 -10.048 12.824 -5.364 1.00 0.00 C ATOM 165 CD GLN A 11 -10.203 13.798 -4.200 1.00 0.00 C ATOM 166 OE1 GLN A 11 -9.991 15.000 -4.357 1.00 0.00 O ATOM 167 NE2 GLN A 11 -10.565 13.348 -3.028 1.00 0.00 N ATOM 0 H GLN A 11 -10.263 10.061 -5.775 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.301 11.319 -7.517 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.639 13.527 -6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.190 12.527 -5.320 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.681 11.864 -5.002 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.310 13.201 -6.071 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.741 12.352 -2.896 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.672 13.993 -2.245 1.00 0.00 H new ATOM 176 N LEU A 12 -9.677 10.427 -8.449 1.00 0.00 N ATOM 177 CA LEU A 12 -8.578 10.444 -9.427 1.00 0.00 C ATOM 178 C LEU A 12 -9.045 11.007 -10.776 1.00 0.00 C ATOM 179 O LEU A 12 -10.210 11.372 -10.950 1.00 0.00 O ATOM 180 CB LEU A 12 -8.004 9.034 -9.648 1.00 0.00 C ATOM 181 CG LEU A 12 -8.992 7.868 -9.520 1.00 0.00 C ATOM 182 CD1 LEU A 12 -10.250 8.146 -10.349 1.00 0.00 C ATOM 183 CD2 LEU A 12 -8.326 6.586 -10.018 1.00 0.00 C ATOM 0 H LEU A 12 -9.974 9.495 -8.161 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.800 11.088 -9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.560 8.998 -10.643 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.197 8.878 -8.933 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.277 7.755 -8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.943 7.311 -10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.727 9.058 -9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.976 8.267 -11.397 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.025 5.754 -9.929 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.038 6.708 -11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.439 6.380 -9.419 1.00 0.00 H new ATOM 195 N THR A 13 -8.110 11.070 -11.727 1.00 0.00 N ATOM 196 CA THR A 13 -8.407 11.589 -13.065 1.00 0.00 C ATOM 197 C THR A 13 -8.577 10.449 -14.066 1.00 0.00 C ATOM 198 O THR A 13 -8.347 9.279 -13.749 1.00 0.00 O ATOM 199 CB THR A 13 -7.276 12.508 -13.558 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.086 12.261 -12.815 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.690 13.969 -13.395 1.00 0.00 C ATOM 0 H THR A 13 -7.144 10.769 -11.597 1.00 0.00 H new ATOM 0 HA THR A 13 -9.336 12.155 -12.994 1.00 0.00 H new ATOM 0 HB THR A 13 -7.086 12.302 -14.611 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.427 12.960 -13.010 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.886 14.616 -13.745 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.590 14.160 -13.980 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.890 14.175 -12.344 1.00 0.00 H new ATOM 209 N ASP A 14 -8.961 10.814 -15.292 1.00 0.00 N ATOM 210 CA ASP A 14 -9.137 9.830 -16.359 1.00 0.00 C ATOM 211 C ASP A 14 -7.771 9.313 -16.809 1.00 0.00 C ATOM 212 O ASP A 14 -7.634 8.158 -17.217 1.00 0.00 O ATOM 213 CB ASP A 14 -9.857 10.453 -17.557 1.00 0.00 C ATOM 214 CG ASP A 14 -11.306 10.756 -17.185 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.132 9.867 -17.324 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.569 11.872 -16.768 1.00 0.00 O ATOM 0 H ASP A 14 -9.154 11.777 -15.568 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.740 9.008 -15.974 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.351 11.369 -17.862 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.824 9.772 -18.408 1.00 0.00 H new ATOM 221 N GLU A 15 -6.758 10.187 -16.712 1.00 0.00 N ATOM 222 CA GLU A 15 -5.391 9.826 -17.090 1.00 0.00 C ATOM 223 C GLU A 15 -4.892 8.649 -16.245 1.00 0.00 C ATOM 224 O GLU A 15 -4.146 7.802 -16.728 1.00 0.00 O ATOM 225 CB GLU A 15 -4.449 11.024 -16.909 1.00 0.00 C ATOM 226 CG GLU A 15 -4.246 11.320 -15.419 1.00 0.00 C ATOM 227 CD GLU A 15 -3.687 12.729 -15.246 1.00 0.00 C ATOM 228 OE1 GLU A 15 -2.476 12.874 -15.287 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.477 13.643 -15.073 1.00 0.00 O ATOM 0 H GLU A 15 -6.863 11.144 -16.376 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.397 9.533 -18.140 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.488 10.814 -17.379 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.864 11.900 -17.408 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.193 11.226 -14.887 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.562 10.591 -14.983 1.00 0.00 H new ATOM 236 N GLN A 16 -5.325 8.603 -14.979 1.00 0.00 N ATOM 237 CA GLN A 16 -4.931 7.518 -14.072 1.00 0.00 C ATOM 238 C GLN A 16 -5.586 6.203 -14.498 1.00 0.00 C ATOM 239 O GLN A 16 -4.987 5.131 -14.391 1.00 0.00 O ATOM 240 CB GLN A 16 -5.356 7.840 -12.635 1.00 0.00 C ATOM 241 CG GLN A 16 -4.208 8.532 -11.900 1.00 0.00 C ATOM 242 CD GLN A 16 -4.526 8.604 -10.409 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.336 7.629 -9.681 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.004 9.710 -9.906 1.00 0.00 N ATOM 0 H GLN A 16 -5.943 9.299 -14.562 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.847 7.418 -14.118 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.236 8.483 -12.641 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.634 6.924 -12.114 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.279 7.985 -12.058 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.059 9.535 -12.299 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.162 10.518 -10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.220 9.766 -8.911 1.00 0.00 H new ATOM 253 N LYS A 17 -6.829 6.304 -14.983 1.00 0.00 N ATOM 254 CA LYS A 17 -7.583 5.127 -15.431 1.00 0.00 C ATOM 255 C LYS A 17 -7.079 4.604 -16.783 1.00 0.00 C ATOM 256 O LYS A 17 -7.527 3.555 -17.248 1.00 0.00 O ATOM 257 CB LYS A 17 -9.075 5.461 -15.570 1.00 0.00 C ATOM 258 CG LYS A 17 -9.619 6.001 -14.243 1.00 0.00 C ATOM 259 CD LYS A 17 -9.529 4.914 -13.172 1.00 0.00 C ATOM 260 CE LYS A 17 -10.646 5.108 -12.143 1.00 0.00 C ATOM 261 NZ LYS A 17 -11.830 4.285 -12.525 1.00 0.00 N ATOM 0 H LYS A 17 -7.333 7.186 -15.075 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.436 4.356 -14.674 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.218 6.200 -16.358 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.629 4.570 -15.864 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.049 6.878 -13.935 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.654 6.320 -14.366 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.612 3.929 -13.632 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.557 4.955 -12.680 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.295 4.820 -11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.925 6.160 -12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.587 4.419 -11.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.170 4.580 -13.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.560 3.281 -12.555 1.00 0.00 H new ATOM 275 N ASN A 18 -6.163 5.341 -17.419 1.00 0.00 N ATOM 276 CA ASN A 18 -5.631 4.930 -18.720 1.00 0.00 C ATOM 277 C ASN A 18 -4.111 4.734 -18.675 1.00 0.00 C ATOM 278 O ASN A 18 -3.565 3.915 -19.416 1.00 0.00 O ATOM 279 CB ASN A 18 -5.965 5.984 -19.780 1.00 0.00 C ATOM 280 CG ASN A 18 -7.366 5.730 -20.330 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.541 4.933 -21.251 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.383 6.366 -19.814 1.00 0.00 N ATOM 0 H ASN A 18 -5.779 6.215 -17.059 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.095 3.978 -18.976 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.909 6.982 -19.345 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.234 5.947 -20.588 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.323 6.202 -20.174 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.237 7.027 -19.051 1.00 0.00 H new ATOM 289 N GLU A 19 -3.436 5.492 -17.804 1.00 0.00 N ATOM 290 CA GLU A 19 -1.979 5.393 -17.675 1.00 0.00 C ATOM 291 C GLU A 19 -1.581 4.008 -17.170 1.00 0.00 C ATOM 292 O GLU A 19 -0.751 3.327 -17.776 1.00 0.00 O ATOM 293 CB GLU A 19 -1.453 6.454 -16.701 1.00 0.00 C ATOM 294 CG GLU A 19 0.078 6.494 -16.752 1.00 0.00 C ATOM 295 CD GLU A 19 0.607 7.298 -15.568 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.685 8.510 -15.687 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.926 6.689 -14.559 1.00 0.00 O ATOM 0 H GLU A 19 -3.871 6.175 -17.183 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.541 5.558 -18.660 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.860 7.432 -16.960 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.786 6.228 -15.688 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.480 5.481 -16.726 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.409 6.944 -17.688 1.00 0.00 H new ATOM 304 N PHE A 20 -2.189 3.602 -16.055 1.00 0.00 N ATOM 305 CA PHE A 20 -1.897 2.296 -15.468 1.00 0.00 C ATOM 306 C PHE A 20 -2.701 1.192 -16.156 1.00 0.00 C ATOM 307 O PHE A 20 -2.221 0.069 -16.292 1.00 0.00 O ATOM 308 CB PHE A 20 -2.241 2.286 -13.978 1.00 0.00 C ATOM 309 CG PHE A 20 -1.120 2.910 -13.179 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.131 4.286 -12.922 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.080 2.113 -12.681 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.104 4.863 -12.168 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.946 2.691 -11.928 1.00 0.00 C ATOM 314 CZ PHE A 20 0.933 4.066 -11.670 1.00 0.00 C ATOM 0 H PHE A 20 -2.880 4.153 -15.545 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.832 2.111 -15.606 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.168 2.834 -13.808 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.410 1.263 -13.643 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.931 4.901 -13.305 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.071 1.051 -12.879 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.111 5.925 -11.970 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.748 2.077 -11.546 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.724 4.513 -11.086 1.00 0.00 H new ATOM 324 N LYS A 21 -3.933 1.513 -16.582 1.00 0.00 N ATOM 325 CA LYS A 21 -4.786 0.518 -17.244 1.00 0.00 C ATOM 326 C LYS A 21 -4.124 -0.020 -18.513 1.00 0.00 C ATOM 327 O LYS A 21 -4.305 -1.184 -18.865 1.00 0.00 O ATOM 328 CB LYS A 21 -6.147 1.124 -17.597 1.00 0.00 C ATOM 329 CG LYS A 21 -7.081 0.036 -18.141 1.00 0.00 C ATOM 330 CD LYS A 21 -7.089 0.076 -19.672 1.00 0.00 C ATOM 331 CE LYS A 21 -8.233 0.968 -20.160 1.00 0.00 C ATOM 332 NZ LYS A 21 -7.720 1.926 -21.182 1.00 0.00 N ATOM 0 H LYS A 21 -4.353 2.437 -16.482 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.929 -0.307 -16.547 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.589 1.586 -16.714 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.022 1.912 -18.340 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.752 -0.944 -17.796 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.091 0.186 -17.759 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.136 0.456 -20.040 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.205 -0.932 -20.071 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.028 0.356 -20.587 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.666 1.513 -19.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.828 2.899 -20.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.714 1.733 -21.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.260 1.815 -22.064 1.00 0.00 H new ATOM 346 N ALA A 22 -3.350 0.833 -19.191 1.00 0.00 N ATOM 347 CA ALA A 22 -2.658 0.418 -20.414 1.00 0.00 C ATOM 348 C ALA A 22 -1.722 -0.750 -20.115 1.00 0.00 C ATOM 349 O ALA A 22 -1.810 -1.809 -20.742 1.00 0.00 O ATOM 350 CB ALA A 22 -1.843 1.579 -20.990 1.00 0.00 C ATOM 0 H ALA A 22 -3.188 1.802 -18.918 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.408 0.110 -21.143 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.336 1.252 -21.898 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.509 2.410 -21.225 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.103 1.903 -20.258 1.00 0.00 H new ATOM 356 N ALA A 23 -0.841 -0.549 -19.132 1.00 0.00 N ATOM 357 CA ALA A 23 0.099 -1.592 -18.723 1.00 0.00 C ATOM 358 C ALA A 23 -0.658 -2.740 -18.057 1.00 0.00 C ATOM 359 O ALA A 23 -0.325 -3.909 -18.234 1.00 0.00 O ATOM 360 CB ALA A 23 1.128 -1.031 -17.733 1.00 0.00 C ATOM 0 H ALA A 23 -0.760 0.322 -18.608 1.00 0.00 H new ATOM 0 HA ALA A 23 0.617 -1.955 -19.611 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.819 -1.821 -17.440 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.683 -0.220 -18.205 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.614 -0.652 -16.850 1.00 0.00 H new ATOM 366 N PHE A 24 -1.688 -2.382 -17.292 1.00 0.00 N ATOM 367 CA PHE A 24 -2.508 -3.371 -16.593 1.00 0.00 C ATOM 368 C PHE A 24 -3.162 -4.345 -17.578 1.00 0.00 C ATOM 369 O PHE A 24 -3.174 -5.551 -17.348 1.00 0.00 O ATOM 370 CB PHE A 24 -3.608 -2.665 -15.787 1.00 0.00 C ATOM 371 CG PHE A 24 -4.171 -3.596 -14.736 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.067 -4.609 -15.100 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.804 -3.440 -13.396 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.593 -5.461 -14.124 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.328 -4.293 -12.421 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.222 -5.302 -12.785 1.00 0.00 C ATOM 0 H PHE A 24 -1.975 -1.415 -17.140 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.855 -3.932 -15.925 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.203 -1.772 -15.311 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.404 -2.337 -16.456 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.352 -4.732 -16.135 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.114 -2.659 -13.114 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.285 -6.241 -14.404 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.042 -4.172 -11.387 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.628 -5.961 -12.031 1.00 0.00 H new ATOM 386 N ASP A 25 -3.718 -3.805 -18.668 1.00 0.00 N ATOM 387 CA ASP A 25 -4.398 -4.635 -19.671 1.00 0.00 C ATOM 388 C ASP A 25 -3.432 -5.576 -20.401 1.00 0.00 C ATOM 389 O ASP A 25 -3.782 -6.718 -20.702 1.00 0.00 O ATOM 390 CB ASP A 25 -5.105 -3.752 -20.707 1.00 0.00 C ATOM 391 CG ASP A 25 -6.454 -4.366 -21.066 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.477 -5.255 -21.903 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.448 -3.939 -20.500 1.00 0.00 O ATOM 0 H ASP A 25 -3.712 -2.807 -18.878 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.125 -5.242 -19.132 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.246 -2.747 -20.308 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.488 -3.657 -21.600 1.00 0.00 H new ATOM 398 N ILE A 26 -2.225 -5.086 -20.695 1.00 0.00 N ATOM 399 CA ILE A 26 -1.229 -5.900 -21.411 1.00 0.00 C ATOM 400 C ILE A 26 -0.594 -6.953 -20.494 1.00 0.00 C ATOM 401 O ILE A 26 -0.283 -8.061 -20.936 1.00 0.00 O ATOM 402 CB ILE A 26 -0.123 -5.016 -22.013 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.548 -4.187 -20.908 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.739 -4.074 -23.053 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.755 -3.434 -21.473 1.00 0.00 C ATOM 0 H ILE A 26 -1.913 -4.145 -20.455 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.758 -6.412 -22.215 1.00 0.00 H new ATOM 0 HB ILE A 26 0.626 -5.651 -22.486 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.167 -3.480 -20.488 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.865 -4.840 -20.095 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.041 -3.446 -23.482 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.208 -4.661 -23.843 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.489 -3.445 -22.575 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.223 -2.850 -20.681 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.476 -4.148 -21.871 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.427 -2.767 -22.270 1.00 0.00 H new ATOM 417 N PHE A 27 -0.400 -6.599 -19.219 1.00 0.00 N ATOM 418 CA PHE A 27 0.210 -7.529 -18.261 1.00 0.00 C ATOM 419 C PHE A 27 -0.788 -8.599 -17.803 1.00 0.00 C ATOM 420 O PHE A 27 -0.402 -9.745 -17.563 1.00 0.00 O ATOM 421 CB PHE A 27 0.763 -6.774 -17.042 1.00 0.00 C ATOM 422 CG PHE A 27 1.894 -5.862 -17.483 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.813 -6.295 -18.451 1.00 0.00 C ATOM 424 CD2 PHE A 27 2.015 -4.580 -16.933 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.846 -5.448 -18.867 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.051 -3.735 -17.350 1.00 0.00 C ATOM 427 CZ PHE A 27 3.964 -4.168 -18.317 1.00 0.00 C ATOM 0 H PHE A 27 -0.652 -5.690 -18.830 1.00 0.00 H new ATOM 0 HA PHE A 27 1.034 -8.027 -18.773 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.028 -6.189 -16.573 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.122 -7.481 -16.295 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.723 -7.284 -18.876 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.310 -4.243 -16.188 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.552 -5.783 -19.613 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.145 -2.747 -16.924 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.760 -3.513 -18.639 1.00 0.00 H new ATOM 437 N ILE A 28 -2.072 -8.230 -17.701 1.00 0.00 N ATOM 438 CA ILE A 28 -3.099 -9.201 -17.289 1.00 0.00 C ATOM 439 C ILE A 28 -3.805 -9.814 -18.513 1.00 0.00 C ATOM 440 O ILE A 28 -4.788 -10.542 -18.367 1.00 0.00 O ATOM 441 CB ILE A 28 -4.155 -8.555 -16.371 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.039 -7.591 -17.175 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.462 -7.791 -15.239 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.353 -8.284 -17.540 1.00 0.00 C ATOM 0 H ILE A 28 -2.420 -7.291 -17.892 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.584 -9.987 -16.736 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.780 -9.342 -15.948 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.240 -6.693 -16.591 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.520 -7.274 -18.079 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.214 -7.337 -14.593 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.851 -8.480 -14.656 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.827 -7.012 -15.661 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.980 -7.599 -18.111 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.143 -9.169 -18.141 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.874 -8.579 -16.629 1.00 0.00 H new ATOM 456 N GLN A 29 -3.290 -9.515 -19.716 1.00 0.00 N ATOM 457 CA GLN A 29 -3.870 -10.037 -20.960 1.00 0.00 C ATOM 458 C GLN A 29 -4.102 -11.551 -20.874 1.00 0.00 C ATOM 459 O GLN A 29 -5.117 -12.061 -21.352 1.00 0.00 O ATOM 460 CB GLN A 29 -2.931 -9.740 -22.137 1.00 0.00 C ATOM 461 CG GLN A 29 -3.490 -10.358 -23.421 1.00 0.00 C ATOM 462 CD GLN A 29 -2.635 -9.927 -24.609 1.00 0.00 C ATOM 463 OE1 GLN A 29 -1.950 -10.748 -25.219 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.634 -8.673 -24.978 1.00 0.00 N ATOM 0 H GLN A 29 -2.476 -8.916 -19.852 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.831 -9.545 -21.113 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.819 -8.663 -22.261 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.939 -10.142 -21.932 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.497 -11.445 -23.340 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.523 -10.042 -23.569 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.201 -7.992 -24.473 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.066 -8.375 -25.771 1.00 0.00 H new ATOM 473 N ASP A 30 -3.148 -12.256 -20.263 1.00 0.00 N ATOM 474 CA ASP A 30 -3.250 -13.712 -20.118 1.00 0.00 C ATOM 475 C ASP A 30 -3.553 -14.108 -18.664 1.00 0.00 C ATOM 476 O ASP A 30 -3.222 -15.213 -18.227 1.00 0.00 O ATOM 477 CB ASP A 30 -1.940 -14.377 -20.560 1.00 0.00 C ATOM 478 CG ASP A 30 -1.785 -14.245 -22.074 1.00 0.00 C ATOM 479 OD1 ASP A 30 -1.365 -13.187 -22.519 1.00 0.00 O ATOM 480 OD2 ASP A 30 -2.089 -15.202 -22.766 1.00 0.00 O ATOM 0 H ASP A 30 -2.303 -11.848 -19.863 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.071 -14.053 -20.749 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.095 -13.909 -20.055 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.940 -15.429 -20.274 1.00 0.00 H new ATOM 485 N ALA A 31 -4.195 -13.196 -17.924 1.00 0.00 N ATOM 486 CA ALA A 31 -4.548 -13.459 -16.529 1.00 0.00 C ATOM 487 C ALA A 31 -6.013 -13.872 -16.416 1.00 0.00 C ATOM 488 O ALA A 31 -6.828 -13.576 -17.293 1.00 0.00 O ATOM 489 CB ALA A 31 -4.313 -12.211 -15.670 1.00 0.00 C ATOM 0 H ALA A 31 -4.477 -12.278 -18.267 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.914 -14.270 -16.171 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.581 -12.426 -14.636 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.262 -11.927 -15.721 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.929 -11.392 -16.042 1.00 0.00 H new ATOM 495 N GLU A 32 -6.333 -14.554 -15.319 1.00 0.00 N ATOM 496 CA GLU A 32 -7.703 -15.011 -15.077 1.00 0.00 C ATOM 497 C GLU A 32 -8.149 -14.625 -13.661 1.00 0.00 C ATOM 498 O GLU A 32 -8.830 -15.391 -12.973 1.00 0.00 O ATOM 499 CB GLU A 32 -7.806 -16.533 -15.258 1.00 0.00 C ATOM 500 CG GLU A 32 -6.741 -17.242 -14.407 1.00 0.00 C ATOM 501 CD GLU A 32 -5.501 -17.517 -15.257 1.00 0.00 C ATOM 502 OE1 GLU A 32 -5.568 -18.391 -16.106 1.00 0.00 O ATOM 503 OE2 GLU A 32 -4.501 -16.850 -15.044 1.00 0.00 O ATOM 0 H GLU A 32 -5.668 -14.802 -14.586 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.358 -14.527 -15.802 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.800 -16.875 -14.968 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.674 -16.791 -16.309 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.476 -16.623 -13.550 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.139 -18.178 -14.014 1.00 0.00 H new ATOM 510 N ASP A 33 -7.746 -13.423 -13.234 1.00 0.00 N ATOM 511 CA ASP A 33 -8.095 -12.933 -11.899 1.00 0.00 C ATOM 512 C ASP A 33 -8.446 -11.442 -11.929 1.00 0.00 C ATOM 513 O ASP A 33 -9.440 -11.019 -11.336 1.00 0.00 O ATOM 514 CB ASP A 33 -6.927 -13.154 -10.933 1.00 0.00 C ATOM 515 CG ASP A 33 -7.453 -13.251 -9.503 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.788 -14.349 -9.089 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.512 -12.226 -8.843 1.00 0.00 O ATOM 0 H ASP A 33 -7.183 -12.778 -13.789 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.967 -13.492 -11.559 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.392 -14.066 -11.197 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.215 -12.333 -11.014 1.00 0.00 H new ATOM 522 N GLY A 34 -7.613 -10.653 -12.615 1.00 0.00 N ATOM 523 CA GLY A 34 -7.833 -9.208 -12.708 1.00 0.00 C ATOM 524 C GLY A 34 -6.785 -8.455 -11.890 1.00 0.00 C ATOM 525 O GLY A 34 -7.105 -7.510 -11.166 1.00 0.00 O ATOM 0 H GLY A 34 -6.787 -10.988 -13.110 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.785 -8.893 -13.750 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.831 -8.962 -12.346 1.00 0.00 H new ATOM 529 N CYS A 35 -5.531 -8.898 -12.011 1.00 0.00 N ATOM 530 CA CYS A 35 -4.422 -8.280 -11.281 1.00 0.00 C ATOM 531 C CYS A 35 -3.089 -8.626 -11.944 1.00 0.00 C ATOM 532 O CYS A 35 -2.944 -9.688 -12.553 1.00 0.00 O ATOM 533 CB CYS A 35 -4.399 -8.769 -9.830 1.00 0.00 C ATOM 534 SG CYS A 35 -4.551 -10.576 -9.789 1.00 0.00 S ATOM 0 H CYS A 35 -5.259 -9.680 -12.606 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.567 -7.200 -11.298 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.471 -8.462 -9.348 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.216 -8.313 -9.270 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.742 -10.902 -9.382 1.00 0.00 H new ATOM 540 N ILE A 36 -2.115 -7.722 -11.815 1.00 0.00 N ATOM 541 CA ILE A 36 -0.794 -7.952 -12.405 1.00 0.00 C ATOM 542 C ILE A 36 0.100 -8.708 -11.419 1.00 0.00 C ATOM 543 O ILE A 36 -0.257 -8.888 -10.252 1.00 0.00 O ATOM 544 CB ILE A 36 -0.117 -6.626 -12.808 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.362 -5.871 -11.559 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.108 -5.750 -13.582 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.888 -5.970 -11.455 1.00 0.00 C ATOM 0 H ILE A 36 -2.213 -6.838 -11.316 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.933 -8.551 -13.305 1.00 0.00 H new ATOM 0 HB ILE A 36 0.742 -6.852 -13.440 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.058 -4.826 -11.614 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.102 -6.291 -10.667 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.624 -4.815 -13.864 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.434 -6.275 -14.480 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.972 -5.536 -12.953 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.228 -5.434 -10.569 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.180 -7.017 -11.380 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.343 -5.529 -12.342 1.00 0.00 H new ATOM 559 N SER A 37 1.266 -9.144 -11.897 1.00 0.00 N ATOM 560 CA SER A 37 2.202 -9.876 -11.047 1.00 0.00 C ATOM 561 C SER A 37 3.172 -8.907 -10.375 1.00 0.00 C ATOM 562 O SER A 37 4.039 -8.327 -11.029 1.00 0.00 O ATOM 563 CB SER A 37 2.993 -10.899 -11.870 1.00 0.00 C ATOM 564 OG SER A 37 3.258 -12.043 -11.068 1.00 0.00 O ATOM 0 H SER A 37 1.581 -9.005 -12.857 1.00 0.00 H new ATOM 0 HA SER A 37 1.628 -10.402 -10.284 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.427 -11.185 -12.757 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.928 -10.459 -12.217 1.00 0.00 H new ATOM 0 HG SER A 37 3.762 -12.700 -11.592 1.00 0.00 H new ATOM 570 N THR A 38 3.007 -8.737 -9.059 1.00 0.00 N ATOM 571 CA THR A 38 3.871 -7.833 -8.284 1.00 0.00 C ATOM 572 C THR A 38 5.349 -8.146 -8.536 1.00 0.00 C ATOM 573 O THR A 38 6.167 -7.240 -8.691 1.00 0.00 O ATOM 574 CB THR A 38 3.592 -7.956 -6.777 1.00 0.00 C ATOM 575 OG1 THR A 38 3.834 -9.293 -6.344 1.00 0.00 O ATOM 576 CG2 THR A 38 2.139 -7.575 -6.487 1.00 0.00 C ATOM 0 H THR A 38 2.289 -9.209 -8.509 1.00 0.00 H new ATOM 0 HA THR A 38 3.649 -6.817 -8.610 1.00 0.00 H new ATOM 0 HB THR A 38 4.256 -7.281 -6.237 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.095 -9.869 -6.631 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.946 -7.664 -5.418 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.962 -6.547 -6.804 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.472 -8.242 -7.033 1.00 0.00 H new ATOM 584 N LYS A 39 5.672 -9.443 -8.585 1.00 0.00 N ATOM 585 CA LYS A 39 7.048 -9.881 -8.830 1.00 0.00 C ATOM 586 C LYS A 39 7.540 -9.419 -10.208 1.00 0.00 C ATOM 587 O LYS A 39 8.734 -9.184 -10.401 1.00 0.00 O ATOM 588 CB LYS A 39 7.153 -11.411 -8.737 1.00 0.00 C ATOM 589 CG LYS A 39 6.018 -12.071 -9.533 1.00 0.00 C ATOM 590 CD LYS A 39 6.600 -12.903 -10.675 1.00 0.00 C ATOM 591 CE LYS A 39 6.757 -14.360 -10.225 1.00 0.00 C ATOM 592 NZ LYS A 39 5.460 -15.080 -10.391 1.00 0.00 N ATOM 0 H LYS A 39 5.003 -10.203 -8.459 1.00 0.00 H new ATOM 0 HA LYS A 39 7.677 -9.429 -8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.117 -11.741 -9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.104 -11.723 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.422 -12.705 -8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.350 -11.308 -9.931 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.947 -12.850 -11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.567 -12.499 -10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.534 -14.850 -10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.074 -14.397 -9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.570 -16.068 -10.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.730 -14.617 -9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.176 -15.057 -11.391 1.00 0.00 H new ATOM 606 N GLU A 40 6.604 -9.272 -11.154 1.00 0.00 N ATOM 607 CA GLU A 40 6.948 -8.816 -12.503 1.00 0.00 C ATOM 608 C GLU A 40 6.485 -7.368 -12.712 1.00 0.00 C ATOM 609 O GLU A 40 6.194 -6.952 -13.837 1.00 0.00 O ATOM 610 CB GLU A 40 6.285 -9.712 -13.556 1.00 0.00 C ATOM 611 CG GLU A 40 6.919 -11.105 -13.522 1.00 0.00 C ATOM 612 CD GLU A 40 8.045 -11.180 -14.549 1.00 0.00 C ATOM 613 OE1 GLU A 40 9.166 -10.850 -14.197 1.00 0.00 O ATOM 614 OE2 GLU A 40 7.769 -11.567 -15.674 1.00 0.00 O ATOM 0 H GLU A 40 5.612 -9.461 -11.011 1.00 0.00 H new ATOM 0 HA GLU A 40 8.031 -8.870 -12.612 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.215 -9.784 -13.364 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.402 -9.273 -14.547 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.308 -11.315 -12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.166 -11.864 -13.737 1.00 0.00 H new ATOM 621 N LEU A 41 6.422 -6.602 -11.614 1.00 0.00 N ATOM 622 CA LEU A 41 5.994 -5.204 -11.688 1.00 0.00 C ATOM 623 C LEU A 41 7.045 -4.328 -12.382 1.00 0.00 C ATOM 624 O LEU A 41 6.728 -3.235 -12.852 1.00 0.00 O ATOM 625 CB LEU A 41 5.722 -4.642 -10.290 1.00 0.00 C ATOM 626 CG LEU A 41 4.961 -3.312 -10.266 1.00 0.00 C ATOM 627 CD1 LEU A 41 3.946 -3.317 -9.124 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.953 -2.164 -10.063 1.00 0.00 C ATOM 0 H LEU A 41 6.659 -6.925 -10.676 1.00 0.00 H new ATOM 0 HA LEU A 41 5.076 -5.185 -12.275 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.154 -5.379 -9.722 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.674 -4.508 -9.776 1.00 0.00 H new ATOM 0 HG LEU A 41 4.436 -3.179 -11.212 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.408 -2.369 -9.111 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.239 -4.134 -9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.466 -3.451 -8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.414 -1.217 -10.046 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.479 -2.300 -9.118 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.673 -2.157 -10.881 1.00 0.00 H new ATOM 640 N GLY A 42 8.293 -4.814 -12.453 1.00 0.00 N ATOM 641 CA GLY A 42 9.367 -4.056 -13.107 1.00 0.00 C ATOM 642 C GLY A 42 8.979 -3.677 -14.540 1.00 0.00 C ATOM 643 O GLY A 42 9.370 -2.621 -15.042 1.00 0.00 O ATOM 0 H GLY A 42 8.580 -5.715 -12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.581 -3.154 -12.534 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.281 -4.650 -13.119 1.00 0.00 H new ATOM 647 N LYS A 43 8.196 -4.552 -15.188 1.00 0.00 N ATOM 648 CA LYS A 43 7.743 -4.308 -16.562 1.00 0.00 C ATOM 649 C LYS A 43 6.716 -3.168 -16.616 1.00 0.00 C ATOM 650 O LYS A 43 6.524 -2.548 -17.662 1.00 0.00 O ATOM 651 CB LYS A 43 7.104 -5.573 -17.150 1.00 0.00 C ATOM 652 CG LYS A 43 8.151 -6.687 -17.251 1.00 0.00 C ATOM 653 CD LYS A 43 8.978 -6.503 -18.528 1.00 0.00 C ATOM 654 CE LYS A 43 9.399 -7.872 -19.069 1.00 0.00 C ATOM 655 NZ LYS A 43 9.568 -7.795 -20.549 1.00 0.00 N ATOM 0 H LYS A 43 7.866 -5.429 -14.785 1.00 0.00 H new ATOM 0 HA LYS A 43 8.619 -4.028 -17.147 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.274 -5.898 -16.522 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.692 -5.358 -18.136 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.803 -6.667 -16.378 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.661 -7.660 -17.261 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.394 -5.968 -19.277 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.859 -5.897 -18.318 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.332 -8.187 -18.602 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.648 -8.620 -18.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.854 -8.726 -20.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.668 -7.513 -20.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.300 -7.093 -20.779 1.00 0.00 H new ATOM 669 N VAL A 44 6.063 -2.892 -15.482 1.00 0.00 N ATOM 670 CA VAL A 44 5.069 -1.815 -15.420 1.00 0.00 C ATOM 671 C VAL A 44 5.733 -0.521 -14.941 1.00 0.00 C ATOM 672 O VAL A 44 5.352 0.573 -15.358 1.00 0.00 O ATOM 673 CB VAL A 44 3.870 -2.187 -14.505 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.823 -3.701 -14.265 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.962 -1.475 -13.146 1.00 0.00 C ATOM 0 H VAL A 44 6.202 -3.393 -14.604 1.00 0.00 H new ATOM 0 HA VAL A 44 4.672 -1.665 -16.424 1.00 0.00 H new ATOM 0 HB VAL A 44 2.963 -1.865 -15.016 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.976 -3.941 -13.622 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.712 -4.217 -15.219 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.747 -4.022 -13.784 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.108 -1.756 -12.529 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.884 -1.767 -12.644 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.959 -0.396 -13.300 1.00 0.00 H new ATOM 685 N MET A 45 6.739 -0.665 -14.066 1.00 0.00 N ATOM 686 CA MET A 45 7.462 0.492 -13.537 1.00 0.00 C ATOM 687 C MET A 45 8.109 1.285 -14.670 1.00 0.00 C ATOM 688 O MET A 45 8.140 2.517 -14.631 1.00 0.00 O ATOM 689 CB MET A 45 8.553 0.049 -12.556 1.00 0.00 C ATOM 690 CG MET A 45 7.998 0.051 -11.129 1.00 0.00 C ATOM 691 SD MET A 45 8.671 1.466 -10.220 1.00 0.00 S ATOM 692 CE MET A 45 7.121 2.378 -10.021 1.00 0.00 C ATOM 0 H MET A 45 7.066 -1.565 -13.714 1.00 0.00 H new ATOM 0 HA MET A 45 6.741 1.122 -13.016 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.907 -0.948 -12.817 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.410 0.719 -12.624 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.910 0.104 -11.151 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.262 -0.878 -10.624 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.142 2.932 -9.082 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.000 3.075 -10.850 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.286 1.678 -10.010 1.00 0.00 H new ATOM 702 N ARG A 46 8.624 0.569 -15.683 1.00 0.00 N ATOM 703 CA ARG A 46 9.265 1.235 -16.827 1.00 0.00 C ATOM 704 C ARG A 46 8.281 2.183 -17.516 1.00 0.00 C ATOM 705 O ARG A 46 8.666 3.249 -18.002 1.00 0.00 O ATOM 706 CB ARG A 46 9.800 0.215 -17.843 1.00 0.00 C ATOM 707 CG ARG A 46 8.672 -0.698 -18.333 1.00 0.00 C ATOM 708 CD ARG A 46 9.173 -1.542 -19.508 1.00 0.00 C ATOM 709 NE ARG A 46 8.139 -2.483 -19.949 1.00 0.00 N ATOM 710 CZ ARG A 46 7.126 -2.102 -20.741 1.00 0.00 C ATOM 711 NH1 ARG A 46 7.032 -0.864 -21.168 1.00 0.00 N ATOM 712 NH2 ARG A 46 6.219 -2.977 -21.095 1.00 0.00 N ATOM 0 H ARG A 46 8.610 -0.450 -15.734 1.00 0.00 H new ATOM 0 HA ARG A 46 10.108 1.809 -16.442 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.247 0.736 -18.689 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.587 -0.384 -17.385 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.336 -1.346 -17.523 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.814 -0.101 -18.640 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.456 -0.891 -20.335 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.068 -2.090 -19.213 1.00 0.00 H new ATOM 0 HE ARG A 46 8.192 -3.455 -19.645 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.735 -0.177 -20.898 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.256 -0.590 -21.770 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.286 -3.941 -20.769 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.446 -2.695 -21.697 1.00 0.00 H new ATOM 726 N MET A 47 7.002 1.793 -17.529 1.00 0.00 N ATOM 727 CA MET A 47 5.957 2.621 -18.133 1.00 0.00 C ATOM 728 C MET A 47 5.674 3.846 -17.256 1.00 0.00 C ATOM 729 O MET A 47 5.310 4.910 -17.760 1.00 0.00 O ATOM 730 CB MET A 47 4.664 1.817 -18.297 1.00 0.00 C ATOM 731 CG MET A 47 4.663 1.117 -19.658 1.00 0.00 C ATOM 732 SD MET A 47 4.310 2.323 -20.961 1.00 0.00 S ATOM 733 CE MET A 47 5.975 2.392 -21.670 1.00 0.00 C ATOM 0 H MET A 47 6.669 0.915 -17.131 1.00 0.00 H new ATOM 0 HA MET A 47 6.308 2.946 -19.112 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.578 1.081 -17.498 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.801 2.477 -18.216 1.00 0.00 H new ATOM 0 HG2 MET A 47 5.630 0.646 -19.837 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.915 0.324 -19.670 1.00 0.00 H new ATOM 0 HE1 MET A 47 6.294 3.431 -21.750 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.667 1.849 -21.027 1.00 0.00 H new ATOM 0 HE3 MET A 47 5.968 1.938 -22.661 1.00 0.00 H new ATOM 743 N LEU A 48 5.860 3.684 -15.939 1.00 0.00 N ATOM 744 CA LEU A 48 5.639 4.780 -14.993 1.00 0.00 C ATOM 745 C LEU A 48 6.758 5.820 -15.111 1.00 0.00 C ATOM 746 O LEU A 48 6.528 7.014 -14.911 1.00 0.00 O ATOM 747 CB LEU A 48 5.594 4.250 -13.556 1.00 0.00 C ATOM 748 CG LEU A 48 4.209 3.828 -13.046 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.619 2.752 -13.963 1.00 0.00 C ATOM 750 CD2 LEU A 48 4.345 3.267 -11.627 1.00 0.00 C ATOM 0 H LEU A 48 6.161 2.809 -15.509 1.00 0.00 H new ATOM 0 HA LEU A 48 4.684 5.246 -15.234 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.264 3.394 -13.483 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.987 5.020 -12.892 1.00 0.00 H new ATOM 0 HG LEU A 48 3.548 4.694 -13.041 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.636 2.458 -13.594 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.523 3.148 -14.974 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.277 1.883 -13.974 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.364 2.966 -11.259 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.009 2.403 -11.640 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.759 4.033 -10.971 1.00 0.00 H new ATOM 762 N GLY A 49 7.967 5.355 -15.459 1.00 0.00 N ATOM 763 CA GLY A 49 9.110 6.262 -15.623 1.00 0.00 C ATOM 764 C GLY A 49 10.369 5.805 -14.866 1.00 0.00 C ATOM 765 O GLY A 49 11.297 6.595 -14.687 1.00 0.00 O ATOM 0 H GLY A 49 8.176 4.371 -15.630 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.345 6.349 -16.684 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.828 7.256 -15.276 1.00 0.00 H new ATOM 769 N GLN A 50 10.409 4.538 -14.424 1.00 0.00 N ATOM 770 CA GLN A 50 11.587 4.034 -13.695 1.00 0.00 C ATOM 771 C GLN A 50 11.659 2.505 -13.755 1.00 0.00 C ATOM 772 O GLN A 50 10.755 1.850 -14.265 1.00 0.00 O ATOM 773 CB GLN A 50 11.558 4.485 -12.227 1.00 0.00 C ATOM 774 CG GLN A 50 10.233 4.080 -11.570 1.00 0.00 C ATOM 775 CD GLN A 50 9.196 5.180 -11.777 1.00 0.00 C ATOM 776 OE1 GLN A 50 8.131 4.934 -12.339 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.443 6.392 -11.355 1.00 0.00 N ATOM 0 H GLN A 50 9.660 3.857 -14.553 1.00 0.00 H new ATOM 0 HA GLN A 50 12.471 4.450 -14.179 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.392 4.037 -11.686 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.684 5.566 -12.169 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.875 3.144 -11.999 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.383 3.905 -10.505 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.326 6.599 -10.888 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.753 7.130 -11.492 1.00 0.00 H new ATOM 786 N ASN A 51 12.748 1.942 -13.227 1.00 0.00 N ATOM 787 CA ASN A 51 12.914 0.486 -13.232 1.00 0.00 C ATOM 788 C ASN A 51 13.768 0.025 -12.046 1.00 0.00 C ATOM 789 O ASN A 51 14.997 -0.027 -12.131 1.00 0.00 O ATOM 790 CB ASN A 51 13.570 0.023 -14.540 1.00 0.00 C ATOM 791 CG ASN A 51 12.868 -1.235 -15.047 1.00 0.00 C ATOM 792 OD1 ASN A 51 12.247 -1.220 -16.109 1.00 0.00 O ATOM 793 ND2 ASN A 51 12.930 -2.337 -14.346 1.00 0.00 N ATOM 0 H ASN A 51 13.515 2.460 -12.798 1.00 0.00 H new ATOM 0 HA ASN A 51 11.923 0.041 -13.147 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.509 0.813 -15.289 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.628 -0.180 -14.376 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.464 -3.181 -14.680 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.444 -2.353 -13.465 1.00 0.00 H new ATOM 800 N PRO A 52 13.118 -0.327 -10.929 1.00 0.00 N ATOM 801 CA PRO A 52 13.814 -0.805 -9.719 1.00 0.00 C ATOM 802 C PRO A 52 14.112 -2.307 -9.789 1.00 0.00 C ATOM 803 O PRO A 52 14.121 -2.899 -10.870 1.00 0.00 O ATOM 804 CB PRO A 52 12.795 -0.495 -8.626 1.00 0.00 C ATOM 805 CG PRO A 52 11.425 -0.451 -9.291 1.00 0.00 C ATOM 806 CD PRO A 52 11.648 -0.266 -10.797 1.00 0.00 C ATOM 0 HA PRO A 52 14.787 -0.339 -9.565 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.821 -1.257 -7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.022 0.458 -8.147 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.874 -1.371 -9.095 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.830 0.368 -8.888 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.159 -1.049 -11.376 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.251 0.686 -11.149 1.00 0.00 H new ATOM 814 N THR A 53 14.342 -2.920 -8.626 1.00 0.00 N ATOM 815 CA THR A 53 14.623 -4.355 -8.565 1.00 0.00 C ATOM 816 C THR A 53 13.397 -5.083 -8.004 1.00 0.00 C ATOM 817 O THR A 53 12.459 -4.439 -7.530 1.00 0.00 O ATOM 818 CB THR A 53 15.851 -4.631 -7.673 1.00 0.00 C ATOM 819 OG1 THR A 53 15.456 -4.675 -6.308 1.00 0.00 O ATOM 820 CG2 THR A 53 16.893 -3.526 -7.858 1.00 0.00 C ATOM 0 H THR A 53 14.339 -2.450 -7.721 1.00 0.00 H new ATOM 0 HA THR A 53 14.841 -4.718 -9.569 1.00 0.00 H new ATOM 0 HB THR A 53 16.284 -5.589 -7.960 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.239 -4.852 -5.746 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.756 -3.730 -7.224 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.208 -3.494 -8.901 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.458 -2.566 -7.581 1.00 0.00 H new ATOM 828 N PRO A 54 13.386 -6.422 -8.034 1.00 0.00 N ATOM 829 CA PRO A 54 12.249 -7.198 -7.502 1.00 0.00 C ATOM 830 C PRO A 54 12.222 -7.188 -5.972 1.00 0.00 C ATOM 831 O PRO A 54 11.161 -7.309 -5.358 1.00 0.00 O ATOM 832 CB PRO A 54 12.503 -8.592 -8.063 1.00 0.00 C ATOM 833 CG PRO A 54 13.989 -8.679 -8.375 1.00 0.00 C ATOM 834 CD PRO A 54 14.492 -7.245 -8.572 1.00 0.00 C ATOM 0 HA PRO A 54 11.278 -6.794 -7.788 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.214 -9.357 -7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.909 -8.761 -8.961 1.00 0.00 H new ATOM 0 HG2 PRO A 54 14.526 -9.167 -7.561 1.00 0.00 H new ATOM 0 HG3 PRO A 54 14.160 -9.274 -9.272 1.00 0.00 H new ATOM 0 HD2 PRO A 54 15.424 -7.068 -8.035 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.683 -7.026 -9.623 1.00 0.00 H new ATOM 842 N GLU A 55 13.405 -7.012 -5.371 1.00 0.00 N ATOM 843 CA GLU A 55 13.522 -6.950 -3.917 1.00 0.00 C ATOM 844 C GLU A 55 13.154 -5.550 -3.415 1.00 0.00 C ATOM 845 O GLU A 55 12.574 -5.398 -2.338 1.00 0.00 O ATOM 846 CB GLU A 55 14.954 -7.281 -3.478 1.00 0.00 C ATOM 847 CG GLU A 55 15.161 -8.799 -3.493 1.00 0.00 C ATOM 848 CD GLU A 55 14.791 -9.381 -2.131 1.00 0.00 C ATOM 849 OE1 GLU A 55 13.628 -9.693 -1.937 1.00 0.00 O ATOM 850 OE2 GLU A 55 15.678 -9.507 -1.301 1.00 0.00 O ATOM 0 H GLU A 55 14.289 -6.911 -5.870 1.00 0.00 H new ATOM 0 HA GLU A 55 12.837 -7.682 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.669 -6.800 -4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.138 -6.889 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.548 -9.252 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.199 -9.032 -3.729 1.00 0.00 H new ATOM 857 N GLU A 56 13.499 -4.526 -4.213 1.00 0.00 N ATOM 858 CA GLU A 56 13.202 -3.139 -3.848 1.00 0.00 C ATOM 859 C GLU A 56 11.718 -2.831 -4.056 1.00 0.00 C ATOM 860 O GLU A 56 11.062 -2.273 -3.174 1.00 0.00 O ATOM 861 CB GLU A 56 14.038 -2.173 -4.696 1.00 0.00 C ATOM 862 CG GLU A 56 14.067 -0.792 -4.031 1.00 0.00 C ATOM 863 CD GLU A 56 14.201 0.287 -5.102 1.00 0.00 C ATOM 864 OE1 GLU A 56 15.323 0.634 -5.430 1.00 0.00 O ATOM 865 OE2 GLU A 56 13.176 0.752 -5.577 1.00 0.00 O ATOM 0 H GLU A 56 13.979 -4.635 -5.106 1.00 0.00 H new ATOM 0 HA GLU A 56 13.451 -3.009 -2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.053 -2.556 -4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.616 -2.096 -5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.155 -0.635 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.901 -0.731 -3.332 1.00 0.00 H new ATOM 872 N LEU A 57 11.197 -3.201 -5.232 1.00 0.00 N ATOM 873 CA LEU A 57 9.788 -2.959 -5.548 1.00 0.00 C ATOM 874 C LEU A 57 8.865 -3.764 -4.626 1.00 0.00 C ATOM 875 O LEU A 57 7.737 -3.350 -4.361 1.00 0.00 O ATOM 876 CB LEU A 57 9.490 -3.316 -7.012 1.00 0.00 C ATOM 877 CG LEU A 57 9.461 -4.815 -7.348 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.090 -5.401 -6.996 1.00 0.00 C ATOM 879 CD2 LEU A 57 9.718 -5.004 -8.847 1.00 0.00 C ATOM 0 H LEU A 57 11.725 -3.664 -5.972 1.00 0.00 H new ATOM 0 HA LEU A 57 9.597 -1.897 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.526 -2.885 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.240 -2.837 -7.642 1.00 0.00 H new ATOM 0 HG LEU A 57 10.232 -5.326 -6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.076 -6.464 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.900 -5.267 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.317 -4.889 -7.570 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.698 -6.067 -9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.945 -4.488 -9.417 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.694 -4.592 -9.104 1.00 0.00 H new ATOM 891 N GLN A 58 9.352 -4.919 -4.142 1.00 0.00 N ATOM 892 CA GLN A 58 8.550 -5.766 -3.251 1.00 0.00 C ATOM 893 C GLN A 58 8.091 -4.979 -2.020 1.00 0.00 C ATOM 894 O GLN A 58 6.960 -5.142 -1.559 1.00 0.00 O ATOM 895 CB GLN A 58 9.347 -6.994 -2.796 1.00 0.00 C ATOM 896 CG GLN A 58 8.809 -8.245 -3.501 1.00 0.00 C ATOM 897 CD GLN A 58 7.398 -8.553 -3.001 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.224 -9.086 -1.905 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.368 -8.247 -3.748 1.00 0.00 N ATOM 0 H GLN A 58 10.283 -5.281 -4.350 1.00 0.00 H new ATOM 0 HA GLN A 58 7.677 -6.096 -3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.404 -6.860 -3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.269 -7.111 -1.715 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.797 -8.089 -4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.466 -9.093 -3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.510 -7.805 -4.656 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.423 -8.450 -3.422 1.00 0.00 H new ATOM 908 N GLU A 59 8.973 -4.113 -1.508 1.00 0.00 N ATOM 909 CA GLU A 59 8.637 -3.287 -0.342 1.00 0.00 C ATOM 910 C GLU A 59 7.459 -2.371 -0.674 1.00 0.00 C ATOM 911 O GLU A 59 6.555 -2.182 0.143 1.00 0.00 O ATOM 912 CB GLU A 59 9.836 -2.430 0.080 1.00 0.00 C ATOM 913 CG GLU A 59 10.687 -3.200 1.095 1.00 0.00 C ATOM 914 CD GLU A 59 10.163 -2.940 2.505 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.265 -3.653 2.925 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.667 -2.031 3.145 1.00 0.00 O ATOM 0 H GLU A 59 9.913 -3.966 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 59 8.369 -3.951 0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.437 -2.173 -0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.490 -1.493 0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.656 -4.267 0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.729 -2.890 1.021 1.00 0.00 H new ATOM 923 N MET A 60 7.475 -1.823 -1.896 1.00 0.00 N ATOM 924 CA MET A 60 6.398 -0.941 -2.356 1.00 0.00 C ATOM 925 C MET A 60 5.098 -1.730 -2.491 1.00 0.00 C ATOM 926 O MET A 60 4.018 -1.232 -2.171 1.00 0.00 O ATOM 927 CB MET A 60 6.741 -0.322 -3.717 1.00 0.00 C ATOM 928 CG MET A 60 8.122 0.335 -3.659 1.00 0.00 C ATOM 929 SD MET A 60 8.415 1.263 -5.185 1.00 0.00 S ATOM 930 CE MET A 60 9.271 2.670 -4.436 1.00 0.00 C ATOM 0 H MET A 60 8.217 -1.974 -2.579 1.00 0.00 H new ATOM 0 HA MET A 60 6.279 -0.146 -1.620 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.727 -1.091 -4.490 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.988 0.418 -3.990 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.183 1.001 -2.798 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.893 -0.425 -3.530 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.549 3.382 -5.213 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.612 3.156 -3.717 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.169 2.320 -3.926 1.00 0.00 H new ATOM 940 N ILE A 61 5.226 -2.974 -2.965 1.00 0.00 N ATOM 941 CA ILE A 61 4.069 -3.855 -3.143 1.00 0.00 C ATOM 942 C ILE A 61 3.403 -4.133 -1.796 1.00 0.00 C ATOM 943 O ILE A 61 2.200 -3.950 -1.644 1.00 0.00 O ATOM 944 CB ILE A 61 4.495 -5.188 -3.781 1.00 0.00 C ATOM 945 CG1 ILE A 61 5.016 -4.942 -5.206 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.302 -6.153 -3.831 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.916 -4.320 -6.073 1.00 0.00 C ATOM 0 H ILE A 61 6.117 -3.392 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 61 3.361 -3.353 -3.803 1.00 0.00 H new ATOM 0 HB ILE A 61 5.288 -5.629 -3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.882 -4.281 -5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.348 -5.882 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.614 -7.094 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.942 -6.339 -2.819 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.502 -5.712 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.298 -4.151 -7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.062 -4.996 -6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.604 -3.370 -5.639 1.00 0.00 H new ATOM 959 N ASP A 62 4.202 -4.575 -0.821 1.00 0.00 N ATOM 960 CA ASP A 62 3.680 -4.874 0.515 1.00 0.00 C ATOM 961 C ASP A 62 2.993 -3.649 1.130 1.00 0.00 C ATOM 962 O ASP A 62 2.021 -3.783 1.877 1.00 0.00 O ATOM 963 CB ASP A 62 4.813 -5.328 1.442 1.00 0.00 C ATOM 964 CG ASP A 62 4.248 -6.213 2.550 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.126 -7.408 2.324 1.00 0.00 O ATOM 966 OD2 ASP A 62 3.945 -5.685 3.608 1.00 0.00 O ATOM 0 H ASP A 62 5.204 -4.733 -0.930 1.00 0.00 H new ATOM 0 HA ASP A 62 2.947 -5.674 0.408 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.564 -5.876 0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.311 -4.461 1.875 1.00 0.00 H new ATOM 971 N GLU A 63 3.512 -2.458 0.813 1.00 0.00 N ATOM 972 CA GLU A 63 2.947 -1.215 1.346 1.00 0.00 C ATOM 973 C GLU A 63 1.610 -0.868 0.678 1.00 0.00 C ATOM 974 O GLU A 63 0.623 -0.595 1.362 1.00 0.00 O ATOM 975 CB GLU A 63 3.924 -0.051 1.139 1.00 0.00 C ATOM 976 CG GLU A 63 5.061 -0.142 2.163 1.00 0.00 C ATOM 977 CD GLU A 63 4.566 0.332 3.528 1.00 0.00 C ATOM 978 OE1 GLU A 63 4.529 1.534 3.739 1.00 0.00 O ATOM 979 OE2 GLU A 63 4.233 -0.513 4.342 1.00 0.00 O ATOM 0 H GLU A 63 4.314 -2.329 0.196 1.00 0.00 H new ATOM 0 HA GLU A 63 2.775 -1.371 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.329 -0.079 0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.401 0.899 1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.419 -1.169 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.904 0.468 1.839 1.00 0.00 H new ATOM 986 N VAL A 64 1.592 -0.866 -0.661 1.00 0.00 N ATOM 987 CA VAL A 64 0.368 -0.531 -1.405 1.00 0.00 C ATOM 988 C VAL A 64 -0.677 -1.653 -1.311 1.00 0.00 C ATOM 989 O VAL A 64 -1.876 -1.383 -1.203 1.00 0.00 O ATOM 990 CB VAL A 64 0.690 -0.243 -2.884 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.231 -1.504 -3.566 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.578 0.221 -3.606 1.00 0.00 C ATOM 0 H VAL A 64 2.398 -1.089 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.051 0.365 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 64 1.447 0.540 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.454 -1.286 -4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.141 -1.829 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.484 -2.296 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.348 0.424 -4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.337 -0.559 -3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.954 1.129 -3.134 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.217 -2.907 -1.356 1.00 0.00 N ATOM 1003 CA ASP A 65 -1.125 -4.052 -1.276 1.00 0.00 C ATOM 1004 C ASP A 65 -1.645 -4.218 0.151 1.00 0.00 C ATOM 1005 O ASP A 65 -0.917 -4.647 1.049 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.411 -5.343 -1.710 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.340 -6.197 -2.573 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -2.487 -6.364 -2.195 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.886 -6.675 -3.600 1.00 0.00 O ATOM 0 H ASP A 65 0.769 -3.152 -1.446 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.963 -3.865 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.492 -5.097 -2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.099 -5.907 -0.831 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.919 -3.865 0.345 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.547 -3.968 1.666 1.00 0.00 C ATOM 1016 C GLU A 66 -3.739 -5.433 2.073 1.00 0.00 C ATOM 1017 O GLU A 66 -3.598 -5.782 3.248 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.908 -3.253 1.684 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.840 -3.839 0.612 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.550 -2.707 -0.125 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.579 -2.263 0.359 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.054 -2.301 -1.164 1.00 0.00 O ATOM 0 H GLU A 66 -3.531 -3.508 -0.389 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.880 -3.486 2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.366 -3.356 2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.767 -2.187 1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.267 -4.442 -0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.572 -4.500 1.075 1.00 0.00 H new ATOM 1029 N ASP A 67 -4.058 -6.284 1.093 1.00 0.00 N ATOM 1030 CA ASP A 67 -4.262 -7.710 1.365 1.00 0.00 C ATOM 1031 C ASP A 67 -2.935 -8.475 1.302 1.00 0.00 C ATOM 1032 O ASP A 67 -2.715 -9.412 2.073 1.00 0.00 O ATOM 1033 CB ASP A 67 -5.266 -8.331 0.376 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.920 -7.947 -1.063 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.395 -6.916 -1.516 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -4.194 -8.691 -1.694 1.00 0.00 O ATOM 0 H ASP A 67 -4.179 -6.015 0.117 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.671 -7.792 2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.261 -9.416 0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.275 -7.993 0.615 1.00 0.00 H new ATOM 1041 N GLY A 68 -2.055 -8.067 0.383 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.753 -8.722 0.232 1.00 0.00 C ATOM 1043 C GLY A 68 -0.902 -10.082 -0.446 1.00 0.00 C ATOM 1044 O GLY A 68 -0.332 -11.078 0.004 1.00 0.00 O ATOM 0 H GLY A 68 -2.218 -7.294 -0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.089 -8.089 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.289 -8.848 1.210 1.00 0.00 H new ATOM 1048 N SER A 69 -1.674 -10.109 -1.534 1.00 0.00 N ATOM 1049 CA SER A 69 -1.901 -11.350 -2.279 1.00 0.00 C ATOM 1050 C SER A 69 -0.772 -11.628 -3.283 1.00 0.00 C ATOM 1051 O SER A 69 -0.735 -12.695 -3.901 1.00 0.00 O ATOM 1052 CB SER A 69 -3.227 -11.281 -3.045 1.00 0.00 C ATOM 1053 OG SER A 69 -3.224 -10.142 -3.901 1.00 0.00 O ATOM 0 H SER A 69 -2.150 -9.292 -1.917 1.00 0.00 H new ATOM 0 HA SER A 69 -1.929 -12.157 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.368 -12.189 -3.631 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.061 -11.221 -2.345 1.00 0.00 H new ATOM 0 HG SER A 69 -3.559 -9.363 -3.410 1.00 0.00 H new ATOM 1059 N GLY A 70 0.134 -10.659 -3.458 1.00 0.00 N ATOM 1060 CA GLY A 70 1.234 -10.815 -4.407 1.00 0.00 C ATOM 1061 C GLY A 70 0.785 -10.432 -5.820 1.00 0.00 C ATOM 1062 O GLY A 70 1.403 -10.830 -6.809 1.00 0.00 O ATOM 0 H GLY A 70 0.125 -9.769 -2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.074 -10.190 -4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.585 -11.847 -4.398 1.00 0.00 H new ATOM 1066 N THR A 71 -0.305 -9.654 -5.899 1.00 0.00 N ATOM 1067 CA THR A 71 -0.845 -9.215 -7.185 1.00 0.00 C ATOM 1068 C THR A 71 -1.407 -7.800 -7.054 1.00 0.00 C ATOM 1069 O THR A 71 -2.184 -7.508 -6.138 1.00 0.00 O ATOM 1070 CB THR A 71 -1.963 -10.157 -7.658 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.077 -10.054 -6.779 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.455 -11.600 -7.665 1.00 0.00 C ATOM 0 H THR A 71 -0.825 -9.319 -5.088 1.00 0.00 H new ATOM 0 HA THR A 71 -0.037 -9.229 -7.917 1.00 0.00 H new ATOM 0 HB THR A 71 -2.266 -9.875 -8.666 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.774 -10.159 -5.853 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.251 -12.264 -8.001 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.604 -11.683 -8.341 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.148 -11.882 -6.658 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.005 -6.923 -7.974 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.477 -5.539 -7.941 1.00 0.00 C ATOM 1082 C VAL A 72 -2.760 -5.390 -8.748 1.00 0.00 C ATOM 1083 O VAL A 72 -2.775 -5.597 -9.964 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.434 -4.572 -8.515 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.779 -3.141 -8.088 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.960 -4.928 -7.994 1.00 0.00 C ATOM 0 H VAL A 72 -0.365 -7.140 -8.738 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.658 -5.293 -6.895 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.440 -4.649 -9.602 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.039 -2.452 -8.495 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.767 -2.877 -8.465 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.777 -3.075 -7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.691 -4.234 -8.409 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.970 -4.859 -6.906 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.212 -5.945 -8.295 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.828 -4.997 -8.061 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.113 -4.780 -8.720 1.00 0.00 C ATOM 1098 C ASP A 73 -5.125 -3.371 -9.303 1.00 0.00 C ATOM 1099 O ASP A 73 -4.230 -2.578 -9.020 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.269 -4.939 -7.727 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.308 -6.379 -7.221 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -6.947 -7.196 -7.865 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -5.694 -6.645 -6.199 1.00 0.00 O ATOM 0 H ASP A 73 -3.831 -4.823 -7.056 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.243 -5.520 -9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.142 -4.251 -6.891 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.214 -4.685 -8.208 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.125 -3.058 -10.127 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.189 -1.727 -10.732 1.00 0.00 C ATOM 1110 C PHE A 74 -6.282 -0.638 -9.659 1.00 0.00 C ATOM 1111 O PHE A 74 -5.733 0.452 -9.826 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.371 -1.605 -11.696 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.150 -0.423 -12.605 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -5.912 -0.253 -13.235 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.177 0.503 -12.816 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.703 0.841 -14.077 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -7.965 1.599 -13.658 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.728 1.769 -14.288 1.00 0.00 C ATOM 0 H PHE A 74 -6.884 -3.689 -10.386 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.267 -1.588 -11.297 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.472 -2.517 -12.284 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.299 -1.481 -11.138 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.119 -0.967 -13.070 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.132 0.372 -12.329 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.749 0.971 -14.566 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.757 2.315 -13.822 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.564 2.616 -14.937 1.00 0.00 H new ATOM 1128 N ASP A 75 -6.957 -0.948 -8.546 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.080 0.016 -7.449 1.00 0.00 C ATOM 1130 C ASP A 75 -5.715 0.223 -6.787 1.00 0.00 C ATOM 1131 O ASP A 75 -5.321 1.351 -6.494 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.083 -0.473 -6.396 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.571 0.714 -5.569 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -7.933 1.022 -4.574 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.576 1.298 -5.942 1.00 0.00 O ATOM 0 H ASP A 75 -7.419 -1.843 -8.383 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.440 0.958 -7.863 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.927 -0.963 -6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.614 -1.213 -5.748 1.00 0.00 H new ATOM 1140 N GLU A 76 -4.994 -0.887 -6.579 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.660 -0.833 -5.973 1.00 0.00 C ATOM 1142 C GLU A 76 -2.641 -0.263 -6.969 1.00 0.00 C ATOM 1143 O GLU A 76 -1.623 0.308 -6.577 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.208 -2.237 -5.545 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.264 -2.860 -4.617 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.982 -4.352 -4.384 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -2.948 -4.837 -4.823 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -4.815 -4.991 -3.763 1.00 0.00 O ATOM 0 H GLU A 76 -5.311 -1.826 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.714 -0.186 -5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.064 -2.867 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.248 -2.180 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.270 -2.334 -3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.255 -2.738 -5.054 1.00 0.00 H new ATOM 1155 N PHE A 77 -2.937 -0.431 -8.265 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.063 0.056 -9.332 1.00 0.00 C ATOM 1157 C PHE A 77 -2.044 1.586 -9.355 1.00 0.00 C ATOM 1158 O PHE A 77 -0.979 2.207 -9.347 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.571 -0.459 -10.689 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.434 -0.726 -11.652 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.111 -0.882 -11.206 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.725 -0.826 -13.016 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.910 -1.133 -12.127 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.705 -1.079 -13.933 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.613 -1.232 -13.492 1.00 0.00 C ATOM 0 H PHE A 77 -3.778 -0.902 -8.597 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.053 -0.310 -9.147 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.143 -1.375 -10.539 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.251 0.273 -11.124 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.117 -0.808 -10.153 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.742 -0.707 -13.360 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.928 -1.251 -11.786 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.934 -1.157 -14.986 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.402 -1.426 -14.204 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.241 2.179 -9.382 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.375 3.638 -9.404 1.00 0.00 C ATOM 1177 C LEU A 78 -2.970 4.239 -8.055 1.00 0.00 C ATOM 1178 O LEU A 78 -2.433 5.347 -7.995 1.00 0.00 O ATOM 1179 CB LEU A 78 -4.820 4.038 -9.723 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.173 4.085 -11.216 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.730 2.790 -11.899 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -6.685 4.248 -11.377 1.00 0.00 C ATOM 0 H LEU A 78 -4.127 1.674 -9.389 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.713 4.024 -10.180 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.491 3.335 -9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.012 5.020 -9.290 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.659 4.929 -11.677 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.984 2.832 -12.958 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.652 2.671 -11.789 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.237 1.943 -11.437 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.937 4.281 -12.437 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.194 3.405 -10.910 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.004 5.174 -10.899 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.222 3.488 -6.975 1.00 0.00 N ATOM 1195 CA VAL A 79 -2.867 3.944 -5.630 1.00 0.00 C ATOM 1196 C VAL A 79 -1.350 4.135 -5.533 1.00 0.00 C ATOM 1197 O VAL A 79 -0.876 5.169 -5.067 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.345 2.924 -4.580 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.435 2.958 -3.349 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.779 3.264 -4.161 1.00 0.00 C ATOM 0 H VAL A 79 -3.666 2.570 -7.008 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.358 4.897 -5.435 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.311 1.925 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.787 2.231 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.415 2.712 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.455 3.955 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.121 2.544 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.805 4.267 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.432 3.224 -5.033 1.00 0.00 H new ATOM 1210 N MET A 80 -0.607 3.119 -5.985 1.00 0.00 N ATOM 1211 CA MET A 80 0.862 3.151 -5.969 1.00 0.00 C ATOM 1212 C MET A 80 1.417 4.477 -6.510 1.00 0.00 C ATOM 1213 O MET A 80 2.488 4.922 -6.091 1.00 0.00 O ATOM 1214 CB MET A 80 1.421 2.003 -6.821 1.00 0.00 C ATOM 1215 CG MET A 80 2.508 1.264 -6.039 1.00 0.00 C ATOM 1216 SD MET A 80 3.049 -0.186 -6.979 1.00 0.00 S ATOM 1217 CE MET A 80 3.973 0.698 -8.259 1.00 0.00 C ATOM 0 H MET A 80 -1.000 2.260 -6.369 1.00 0.00 H new ATOM 0 HA MET A 80 1.172 3.045 -4.930 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.621 1.314 -7.090 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.831 2.394 -7.752 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.353 1.927 -5.855 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.126 0.957 -5.065 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.461 0.592 -9.216 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.038 1.754 -7.997 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.977 0.281 -8.337 1.00 0.00 H new ATOM 1227 N MET A 81 0.689 5.099 -7.443 1.00 0.00 N ATOM 1228 CA MET A 81 1.128 6.367 -8.030 1.00 0.00 C ATOM 1229 C MET A 81 0.829 7.541 -7.094 1.00 0.00 C ATOM 1230 O MET A 81 1.704 8.366 -6.819 1.00 0.00 O ATOM 1231 CB MET A 81 0.419 6.601 -9.365 1.00 0.00 C ATOM 1232 CG MET A 81 1.154 7.681 -10.166 1.00 0.00 C ATOM 1233 SD MET A 81 0.406 9.299 -9.841 1.00 0.00 S ATOM 1234 CE MET A 81 -1.298 8.863 -10.269 1.00 0.00 C ATOM 0 H MET A 81 -0.198 4.749 -7.804 1.00 0.00 H new ATOM 0 HA MET A 81 2.205 6.306 -8.187 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.385 5.673 -9.936 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.613 6.905 -9.190 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.209 7.696 -9.892 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.105 7.454 -11.231 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.813 9.743 -10.653 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.294 8.083 -11.031 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.815 8.499 -9.381 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.420 7.615 -6.622 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.832 8.706 -5.728 1.00 0.00 C ATOM 1246 C VAL A 82 -0.130 8.623 -4.370 1.00 0.00 C ATOM 1247 O VAL A 82 0.156 9.648 -3.759 1.00 0.00 O ATOM 1248 CB VAL A 82 -2.351 8.708 -5.512 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -3.053 8.979 -6.845 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.808 7.354 -4.959 1.00 0.00 C ATOM 0 H VAL A 82 -1.156 6.943 -6.839 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.539 9.635 -6.218 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.608 9.488 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.132 8.981 -6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.739 9.949 -7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.788 8.201 -7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.888 7.368 -4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.549 6.566 -5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.313 7.164 -4.007 1.00 0.00 H new ATOM 1260 N ARG A 83 0.151 7.402 -3.903 1.00 0.00 N ATOM 1261 CA ARG A 83 0.831 7.236 -2.615 1.00 0.00 C ATOM 1262 C ARG A 83 2.288 7.689 -2.717 1.00 0.00 C ATOM 1263 O ARG A 83 2.860 8.192 -1.750 1.00 0.00 O ATOM 1264 CB ARG A 83 0.777 5.779 -2.131 1.00 0.00 C ATOM 1265 CG ARG A 83 1.409 4.841 -3.161 1.00 0.00 C ATOM 1266 CD ARG A 83 2.281 3.806 -2.449 1.00 0.00 C ATOM 1267 NE ARG A 83 3.545 3.615 -3.163 1.00 0.00 N ATOM 1268 CZ ARG A 83 4.564 2.937 -2.619 1.00 0.00 C ATOM 1269 NH1 ARG A 83 4.454 2.397 -1.429 1.00 0.00 N ATOM 1270 NH2 ARG A 83 5.681 2.807 -3.289 1.00 0.00 N ATOM 0 H ARG A 83 -0.076 6.532 -4.385 1.00 0.00 H new ATOM 0 HA ARG A 83 0.308 7.857 -1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.301 5.687 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.258 5.488 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.631 4.340 -3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.010 5.413 -3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.480 4.131 -1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.748 2.858 -2.383 1.00 0.00 H new ATOM 0 HE ARG A 83 3.652 4.008 -4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.584 2.490 -0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.239 1.883 -1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.770 3.220 -4.217 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.462 2.292 -2.883 1.00 0.00 H new ATOM 1284 N CYS A 84 2.876 7.517 -3.905 1.00 0.00 N ATOM 1285 CA CYS A 84 4.264 7.922 -4.136 1.00 0.00 C ATOM 1286 C CYS A 84 4.393 9.447 -4.123 1.00 0.00 C ATOM 1287 O CYS A 84 5.388 9.989 -3.640 1.00 0.00 O ATOM 1288 CB CYS A 84 4.760 7.393 -5.485 1.00 0.00 C ATOM 1289 SG CYS A 84 5.656 5.841 -5.234 1.00 0.00 S ATOM 0 H CYS A 84 2.416 7.103 -4.716 1.00 0.00 H new ATOM 0 HA CYS A 84 4.870 7.502 -3.334 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.917 7.234 -6.157 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.411 8.128 -5.959 1.00 0.00 H new ATOM 0 HG CYS A 84 6.075 5.391 -6.380 1.00 0.00 H new ATOM 1295 N MET A 85 3.375 10.135 -4.659 1.00 0.00 N ATOM 1296 CA MET A 85 3.390 11.600 -4.702 1.00 0.00 C ATOM 1297 C MET A 85 2.775 12.182 -3.428 1.00 0.00 C ATOM 1298 O MET A 85 3.429 12.924 -2.691 1.00 0.00 O ATOM 1299 CB MET A 85 2.608 12.107 -5.921 1.00 0.00 C ATOM 1300 CG MET A 85 3.206 13.432 -6.403 1.00 0.00 C ATOM 1301 SD MET A 85 2.292 14.812 -5.670 1.00 0.00 S ATOM 1302 CE MET A 85 2.729 16.053 -6.912 1.00 0.00 C ATOM 0 H MET A 85 2.543 9.706 -5.063 1.00 0.00 H new ATOM 0 HA MET A 85 4.428 11.925 -4.778 1.00 0.00 H new ATOM 0 HB2 MET A 85 2.644 11.368 -6.721 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.558 12.244 -5.661 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.258 13.491 -6.124 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.160 13.489 -7.491 1.00 0.00 H new ATOM 0 HE1 MET A 85 2.263 17.004 -6.655 1.00 0.00 H new ATOM 0 HE2 MET A 85 3.812 16.175 -6.940 1.00 0.00 H new ATOM 0 HE3 MET A 85 2.375 15.729 -7.891 1.00 0.00 H new ATOM 1312 N LYS A 86 1.512 11.829 -3.175 1.00 0.00 N ATOM 1313 CA LYS A 86 0.803 12.305 -1.990 1.00 0.00 C ATOM 1314 C LYS A 86 1.294 11.568 -0.747 1.00 0.00 C ATOM 1315 O LYS A 86 1.729 10.417 -0.822 1.00 0.00 O ATOM 1316 CB LYS A 86 -0.707 12.078 -2.144 1.00 0.00 C ATOM 1317 CG LYS A 86 -1.472 12.978 -1.170 1.00 0.00 C ATOM 1318 CD LYS A 86 -1.977 12.145 0.013 1.00 0.00 C ATOM 1319 CE LYS A 86 -2.162 13.052 1.233 1.00 0.00 C ATOM 1320 NZ LYS A 86 -3.226 12.498 2.119 1.00 0.00 N ATOM 0 H LYS A 86 0.962 11.215 -3.776 1.00 0.00 H new ATOM 0 HA LYS A 86 1.000 13.372 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.013 12.293 -3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.948 11.032 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.824 13.778 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.312 13.451 -1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.921 11.665 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.267 11.350 0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.224 13.133 1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.431 14.058 0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.852 13.267 2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.781 11.792 1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.788 12.048 2.948 1.00 0.00 H new ATOM 1334 N ASP A 87 1.217 12.250 0.396 1.00 0.00 N ATOM 1335 CA ASP A 87 1.654 11.672 1.672 1.00 0.00 C ATOM 1336 C ASP A 87 3.178 11.474 1.696 1.00 0.00 C ATOM 1337 O ASP A 87 3.684 10.579 2.376 1.00 0.00 O ATOM 1338 CB ASP A 87 0.961 10.322 1.917 1.00 0.00 C ATOM 1339 CG ASP A 87 0.678 10.152 3.407 1.00 0.00 C ATOM 1340 OD1 ASP A 87 -0.285 10.733 3.879 1.00 0.00 O ATOM 1341 OD2 ASP A 87 1.428 9.439 4.053 1.00 0.00 O ATOM 0 H ASP A 87 0.857 13.202 0.467 1.00 0.00 H new ATOM 0 HA ASP A 87 1.378 12.370 2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.030 10.272 1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.593 9.508 1.562 1.00 0.00 H new ATOM 1346 N ASP A 88 3.897 12.333 0.953 1.00 0.00 N ATOM 1347 CA ASP A 88 5.365 12.278 0.881 1.00 0.00 C ATOM 1348 C ASP A 88 5.838 11.037 0.116 1.00 0.00 C ATOM 1349 O ASP A 88 6.372 11.147 -0.990 1.00 0.00 O ATOM 1350 CB ASP A 88 5.995 12.285 2.284 1.00 0.00 C ATOM 1351 CG ASP A 88 5.500 13.499 3.068 1.00 0.00 C ATOM 1352 OD1 ASP A 88 5.969 14.592 2.790 1.00 0.00 O ATOM 1353 OD2 ASP A 88 4.661 13.318 3.935 1.00 0.00 O ATOM 0 H ASP A 88 3.482 13.077 0.392 1.00 0.00 H new ATOM 0 HA ASP A 88 5.690 13.169 0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.736 11.368 2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.082 12.311 2.204 1.00 0.00 H new ATOM 1358 N SER A 89 5.641 9.860 0.716 1.00 0.00 N ATOM 1359 CA SER A 89 6.054 8.603 0.087 1.00 0.00 C ATOM 1360 C SER A 89 4.941 7.551 0.173 1.00 0.00 C ATOM 1361 O SER A 89 4.973 6.622 -0.619 1.00 0.00 O ATOM 1362 CB SER A 89 7.311 8.055 0.768 1.00 0.00 C ATOM 1363 OG SER A 89 8.036 7.257 -0.159 1.00 0.00 O ATOM 1364 OXT SER A 89 4.072 7.688 1.024 1.00 0.00 O ATOM 0 H SER A 89 5.201 9.751 1.630 1.00 0.00 H new ATOM 0 HA SER A 89 6.264 8.812 -0.962 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.933 8.876 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.037 7.462 1.640 1.00 0.00 H new ATOM 0 HG SER A 89 8.843 6.905 0.273 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.697 -7.350 -3.749 1.00 0.00 CA