USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 825 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 99 ASN : amide:sc= -2.54 K(o=-2.6,f=-4.3!) USER MOD Set 1.2: A 102 MET CE :methyl 153:sc=-0.00531 (180deg=-0.692) USER MOD Set 2.1: A 51 THR OG1 : rot -61:sc= 0.715 USER MOD Set 2.2: A 59 MET CE :methyl 172:sc= -2.31 (180deg=-2.77) USER MOD Set 2.3: B 478 MET CE :methyl 152:sc= -0.457 (180deg=-1.83!) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= -2.29 USER MOD Set 3.2: A 39 THR OG1 : rot -171:sc= -4.52! USER MOD Set 4.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 3 HIS : no HD1:sc= -0.97 K(o=-1.1,f=-8.1!) USER MOD Set 4.3: A 103 THR OG1 : rot 177:sc= -0.137 USER MOD Single : A 4 SER OG : rot 171:sc= 0.412 USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= -0.141 (180deg=-0.49) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0883 USER MOD Single : A 19 ASN : amide:sc= -0.334 K(o=-0.33,f=-1.6) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -4:sc= 0.236 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.996 USER MOD Single : A 36 LYS NZ :NH3+ 145:sc= -0.296 (180deg=-1.54!) USER MOD Single : A 38 HIS : no HD1:sc= -0.451 K(o=-0.45,f=-0.96) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2 X(o=-2,f=-1.6) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -170:sc= -0.782 USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00573) USER MOD Single : A 58 MET CE :methyl -106:sc= -5.98 (180deg=-10.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -3.02! C(o=-6.3!,f=-3!) USER MOD Single : A 88 MET CE :methyl -136:sc= -4.57! (180deg=-9.93!) USER MOD Single : A 90 SER OG : rot 180:sc= -1.29 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.02) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 170:sc= 0 (180deg=-0.0325) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.318 F(o=-0.83,f=-0.32) USER MOD Single : A 109 SER OG : rot 92:sc= 0.34 USER MOD Single : A 111 TYR OH : rot 15:sc= -1.61! USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 477 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 480 THR OG1 : rot 94:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.239 11.249 9.475 1.00 0.00 N ATOM 2 CA PRO A 1 -11.555 11.953 8.355 1.00 0.00 C ATOM 3 C PRO A 1 -10.041 11.788 8.418 1.00 0.00 C ATOM 4 O PRO A 1 -9.399 11.419 7.435 1.00 0.00 O ATOM 5 CB PRO A 1 -11.935 13.428 8.436 1.00 0.00 C ATOM 6 CG PRO A 1 -12.651 13.551 9.738 1.00 0.00 C ATOM 7 CD PRO A 1 -13.227 12.188 10.036 1.00 0.00 C ATOM 0 H2 PRO A 1 -11.566 10.965 10.187 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.696 10.400 9.142 1.00 0.00 H new ATOM 0 HA PRO A 1 -11.874 11.521 7.407 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -11.054 14.069 8.404 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -12.572 13.721 7.602 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -11.969 13.866 10.528 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -13.439 14.302 9.679 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -13.358 12.036 11.107 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -14.206 12.059 9.574 1.00 0.00 H new ATOM 17 N SER A 2 -9.487 12.065 9.584 1.00 0.00 N ATOM 18 CA SER A 2 -8.049 11.954 9.800 1.00 0.00 C ATOM 19 C SER A 2 -7.571 10.525 9.561 1.00 0.00 C ATOM 20 O SER A 2 -6.440 10.301 9.131 1.00 0.00 O ATOM 21 CB SER A 2 -7.689 12.393 11.220 1.00 0.00 C ATOM 22 OG SER A 2 -8.112 11.434 12.174 1.00 0.00 O ATOM 0 H SER A 2 -10.012 12.371 10.403 1.00 0.00 H new ATOM 0 HA SER A 2 -7.549 12.610 9.087 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.611 12.536 11.297 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.155 13.355 11.436 1.00 0.00 H new ATOM 0 HG SER A 2 -7.868 11.738 13.073 1.00 0.00 H new ATOM 28 N HIS A 3 -8.441 9.560 9.844 1.00 0.00 N ATOM 29 CA HIS A 3 -8.109 8.150 9.661 1.00 0.00 C ATOM 30 C HIS A 3 -9.031 7.493 8.647 1.00 0.00 C ATOM 31 O HIS A 3 -9.181 6.274 8.616 1.00 0.00 O ATOM 32 CB HIS A 3 -8.167 7.399 10.990 1.00 0.00 C ATOM 33 CG HIS A 3 -7.325 8.008 12.068 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.297 8.891 11.815 1.00 0.00 N ATOM 35 CD2 HIS A 3 -7.365 7.854 13.412 1.00 0.00 C ATOM 36 CE1 HIS A 3 -5.740 9.254 12.957 1.00 0.00 C ATOM 37 NE2 HIS A 3 -6.371 8.640 13.941 1.00 0.00 N ATOM 0 H HIS A 3 -9.382 9.728 10.201 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.090 8.101 9.277 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.202 7.360 11.329 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -7.845 6.370 10.829 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.051 7.229 13.965 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.910 9.936 13.067 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.155 8.734 14.933 1.00 0.00 H new ATOM 46 N SER A 4 -9.644 8.314 7.821 1.00 0.00 N ATOM 47 CA SER A 4 -10.555 7.828 6.794 1.00 0.00 C ATOM 48 C SER A 4 -10.452 8.681 5.543 1.00 0.00 C ATOM 49 O SER A 4 -10.217 9.888 5.616 1.00 0.00 O ATOM 50 CB SER A 4 -11.994 7.823 7.311 1.00 0.00 C ATOM 51 OG SER A 4 -12.357 9.094 7.823 1.00 0.00 O ATOM 0 H SER A 4 -9.530 9.328 7.837 1.00 0.00 H new ATOM 0 HA SER A 4 -10.271 6.806 6.543 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.672 7.545 6.504 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.101 7.069 8.091 1.00 0.00 H new ATOM 0 HG SER A 4 -13.318 9.108 8.012 1.00 0.00 H new ATOM 57 N GLY A 5 -10.619 8.045 4.394 1.00 0.00 N ATOM 58 CA GLY A 5 -10.530 8.758 3.142 1.00 0.00 C ATOM 59 C GLY A 5 -10.927 7.901 1.962 1.00 0.00 C ATOM 60 O GLY A 5 -11.167 6.705 2.109 1.00 0.00 O ATOM 0 H GLY A 5 -10.815 7.048 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.173 9.638 3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.510 9.115 3.002 1.00 0.00 H new ATOM 64 N ALA A 6 -10.998 8.514 0.789 1.00 0.00 N ATOM 65 CA ALA A 6 -11.372 7.799 -0.422 1.00 0.00 C ATOM 66 C ALA A 6 -10.166 7.563 -1.323 1.00 0.00 C ATOM 67 O ALA A 6 -9.468 8.502 -1.707 1.00 0.00 O ATOM 68 CB ALA A 6 -12.453 8.566 -1.170 1.00 0.00 C ATOM 0 H ALA A 6 -10.801 9.505 0.651 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.764 6.824 -0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.725 8.022 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.331 8.673 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.078 9.553 -1.439 1.00 0.00 H new ATOM 74 N ALA A 7 -9.933 6.300 -1.663 1.00 0.00 N ATOM 75 CA ALA A 7 -8.822 5.929 -2.528 1.00 0.00 C ATOM 76 C ALA A 7 -9.213 4.767 -3.428 1.00 0.00 C ATOM 77 O ALA A 7 -10.218 4.098 -3.192 1.00 0.00 O ATOM 78 CB ALA A 7 -7.594 5.572 -1.705 1.00 0.00 C ATOM 0 H ALA A 7 -10.502 5.514 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.577 6.787 -3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.776 5.298 -2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.298 6.430 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.826 4.731 -1.051 1.00 0.00 H new ATOM 84 N ILE A 8 -8.421 4.536 -4.465 1.00 0.00 N ATOM 85 CA ILE A 8 -8.696 3.460 -5.402 1.00 0.00 C ATOM 86 C ILE A 8 -7.907 2.200 -5.048 1.00 0.00 C ATOM 87 O ILE A 8 -6.679 2.226 -4.953 1.00 0.00 O ATOM 88 CB ILE A 8 -8.390 3.898 -6.859 1.00 0.00 C ATOM 89 CG1 ILE A 8 -9.549 3.513 -7.785 1.00 0.00 C ATOM 90 CG2 ILE A 8 -7.078 3.303 -7.357 1.00 0.00 C ATOM 91 CD1 ILE A 8 -9.160 2.577 -8.914 1.00 0.00 C ATOM 0 H ILE A 8 -7.584 5.079 -4.677 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.758 3.227 -5.329 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.281 4.983 -6.868 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.332 3.042 -7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.975 4.421 -8.212 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.895 3.630 -8.380 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.261 3.637 -6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.138 2.215 -7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.038 2.355 -9.521 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.400 3.052 -9.535 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.763 1.651 -8.498 1.00 0.00 H new ATOM 103 N PHE A 9 -8.622 1.098 -4.862 1.00 0.00 N ATOM 104 CA PHE A 9 -7.990 -0.174 -4.533 1.00 0.00 C ATOM 105 C PHE A 9 -8.320 -1.219 -5.590 1.00 0.00 C ATOM 106 O PHE A 9 -9.446 -1.281 -6.085 1.00 0.00 O ATOM 107 CB PHE A 9 -8.440 -0.665 -3.156 1.00 0.00 C ATOM 108 CG PHE A 9 -7.796 -1.961 -2.749 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.420 -2.053 -2.617 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.566 -3.085 -2.502 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.824 -3.243 -2.246 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.975 -4.278 -2.130 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.603 -4.357 -2.002 1.00 0.00 C ATOM 0 H PHE A 9 -9.639 1.059 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.911 -0.020 -4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.208 0.097 -2.412 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.523 -0.790 -3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.806 -1.185 -2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.640 -3.029 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.750 -3.302 -2.147 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.586 -5.148 -1.940 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.139 -5.288 -1.712 1.00 0.00 H new ATOM 123 N GLU A 10 -7.331 -2.034 -5.940 1.00 0.00 N ATOM 124 CA GLU A 10 -7.521 -3.069 -6.947 1.00 0.00 C ATOM 125 C GLU A 10 -8.003 -2.458 -8.260 1.00 0.00 C ATOM 126 O GLU A 10 -8.651 -3.126 -9.066 1.00 0.00 O ATOM 127 CB GLU A 10 -8.525 -4.113 -6.456 1.00 0.00 C ATOM 128 CG GLU A 10 -7.885 -5.261 -5.693 1.00 0.00 C ATOM 129 CD GLU A 10 -8.576 -6.586 -5.947 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.757 -6.944 -7.130 1.00 0.00 O ATOM 131 OE2 GLU A 10 -8.935 -7.267 -4.964 1.00 0.00 O ATOM 0 H GLU A 10 -6.393 -1.998 -5.542 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.562 -3.557 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.259 -3.625 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.067 -4.514 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.836 -5.342 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.909 -5.041 -4.626 1.00 0.00 H new ATOM 138 N LYS A 11 -7.680 -1.183 -8.467 1.00 0.00 N ATOM 139 CA LYS A 11 -8.074 -0.479 -9.675 1.00 0.00 C ATOM 140 C LYS A 11 -9.587 -0.349 -9.754 1.00 0.00 C ATOM 141 O LYS A 11 -10.194 -0.574 -10.801 1.00 0.00 O ATOM 142 CB LYS A 11 -7.520 -1.194 -10.904 1.00 0.00 C ATOM 143 CG LYS A 11 -6.106 -1.717 -10.702 1.00 0.00 C ATOM 144 CD LYS A 11 -5.122 -0.587 -10.432 1.00 0.00 C ATOM 145 CE LYS A 11 -5.103 0.423 -11.568 1.00 0.00 C ATOM 146 NZ LYS A 11 -5.077 -0.239 -12.902 1.00 0.00 N ATOM 0 H LYS A 11 -7.144 -0.619 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.656 0.527 -9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.176 -2.026 -11.159 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.530 -0.508 -11.751 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.093 -2.418 -9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.792 -2.269 -11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.390 -0.085 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.122 -0.999 -10.295 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.982 1.064 -11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.230 1.067 -11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.575 0.368 -13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.586 -1.153 -12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.051 -0.395 -13.231 1.00 0.00 H new ATOM 160 N VAL A 12 -10.184 0.026 -8.629 1.00 0.00 N ATOM 161 CA VAL A 12 -11.622 0.203 -8.542 1.00 0.00 C ATOM 162 C VAL A 12 -11.960 1.313 -7.547 1.00 0.00 C ATOM 163 O VAL A 12 -11.820 1.138 -6.336 1.00 0.00 O ATOM 164 CB VAL A 12 -12.306 -1.115 -8.125 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.690 -0.866 -7.538 1.00 0.00 C ATOM 166 CG2 VAL A 12 -12.388 -2.066 -9.309 1.00 0.00 C ATOM 0 H VAL A 12 -9.686 0.214 -7.759 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.994 0.489 -9.526 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.698 -1.576 -7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.142 -1.817 -7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.603 -0.230 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.317 -0.373 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.873 -2.992 -8.999 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.967 -1.603 -10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.383 -2.286 -9.669 1.00 0.00 H new ATOM 176 N SER A 13 -12.391 2.459 -8.072 1.00 0.00 N ATOM 177 CA SER A 13 -12.737 3.615 -7.245 1.00 0.00 C ATOM 178 C SER A 13 -13.540 3.211 -6.011 1.00 0.00 C ATOM 179 O SER A 13 -14.659 2.710 -6.122 1.00 0.00 O ATOM 180 CB SER A 13 -13.529 4.630 -8.070 1.00 0.00 C ATOM 181 OG SER A 13 -13.065 4.672 -9.408 1.00 0.00 O ATOM 0 H SER A 13 -12.510 2.612 -9.073 1.00 0.00 H new ATOM 0 HA SER A 13 -11.806 4.066 -6.903 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.587 4.368 -8.057 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.440 5.619 -7.620 1.00 0.00 H new ATOM 0 HG SER A 13 -13.588 5.327 -9.915 1.00 0.00 H new ATOM 187 N GLY A 14 -12.958 3.436 -4.836 1.00 0.00 N ATOM 188 CA GLY A 14 -13.633 3.094 -3.598 1.00 0.00 C ATOM 189 C GLY A 14 -13.258 4.013 -2.452 1.00 0.00 C ATOM 190 O GLY A 14 -12.862 5.158 -2.668 1.00 0.00 O ATOM 0 H GLY A 14 -12.032 3.848 -4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.711 3.136 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.389 2.066 -3.328 1.00 0.00 H new ATOM 194 N ILE A 15 -13.389 3.509 -1.228 1.00 0.00 N ATOM 195 CA ILE A 15 -13.068 4.294 -0.040 1.00 0.00 C ATOM 196 C ILE A 15 -12.247 3.491 0.967 1.00 0.00 C ATOM 197 O ILE A 15 -12.370 2.269 1.052 1.00 0.00 O ATOM 198 CB ILE A 15 -14.337 4.822 0.651 1.00 0.00 C ATOM 199 CG1 ILE A 15 -15.167 5.660 -0.323 1.00 0.00 C ATOM 200 CG2 ILE A 15 -13.957 5.645 1.868 1.00 0.00 C ATOM 201 CD1 ILE A 15 -15.907 4.837 -1.354 1.00 0.00 C ATOM 0 H ILE A 15 -13.715 2.562 -1.033 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.473 5.139 -0.386 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.942 3.974 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -15.887 6.251 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -14.510 6.363 -0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.860 6.016 2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.399 5.023 2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.339 6.488 1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -16.473 5.499 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -15.191 4.266 -1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.590 4.153 -0.851 1.00 0.00 H new ATOM 213 N ILE A 16 -11.413 4.193 1.734 1.00 0.00 N ATOM 214 CA ILE A 16 -10.568 3.554 2.739 1.00 0.00 C ATOM 215 C ILE A 16 -10.968 3.958 4.156 1.00 0.00 C ATOM 216 O ILE A 16 -11.426 5.075 4.393 1.00 0.00 O ATOM 217 CB ILE A 16 -9.069 3.899 2.561 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.767 4.427 1.154 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.206 2.686 2.876 1.00 0.00 C ATOM 220 CD1 ILE A 16 -8.290 5.863 1.151 1.00 0.00 C ATOM 0 H ILE A 16 -11.305 5.206 1.677 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.715 2.484 2.594 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.828 4.696 3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.008 3.797 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.665 4.347 0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.155 2.944 2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.379 2.374 3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.465 1.870 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.093 6.179 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.058 6.502 1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.375 5.944 1.738 1.00 0.00 H new ATOM 232 N ALA A 17 -10.764 3.040 5.095 1.00 0.00 N ATOM 233 CA ALA A 17 -11.069 3.281 6.500 1.00 0.00 C ATOM 234 C ALA A 17 -10.004 2.635 7.382 1.00 0.00 C ATOM 235 O ALA A 17 -9.696 1.457 7.222 1.00 0.00 O ATOM 236 CB ALA A 17 -12.449 2.742 6.845 1.00 0.00 C ATOM 0 H ALA A 17 -10.384 2.113 4.905 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.069 4.356 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.660 2.930 7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -13.198 3.240 6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -12.478 1.669 6.655 1.00 0.00 H new ATOM 242 N ILE A 18 -9.433 3.405 8.304 1.00 0.00 N ATOM 243 CA ILE A 18 -8.397 2.887 9.184 1.00 0.00 C ATOM 244 C ILE A 18 -9.000 2.391 10.497 1.00 0.00 C ATOM 245 O ILE A 18 -9.755 3.108 11.155 1.00 0.00 O ATOM 246 CB ILE A 18 -7.324 3.970 9.462 1.00 0.00 C ATOM 247 CG1 ILE A 18 -6.020 3.637 8.735 1.00 0.00 C ATOM 248 CG2 ILE A 18 -7.082 4.134 10.953 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.901 4.298 7.378 1.00 0.00 C ATOM 0 H ILE A 18 -9.671 4.385 8.459 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.919 2.045 8.684 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.699 4.919 9.079 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.178 3.945 9.355 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.947 2.556 8.612 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.324 4.900 11.117 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.010 4.431 11.442 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.738 3.188 11.372 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.953 4.018 6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.723 3.971 6.741 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.942 5.381 7.496 1.00 0.00 H new ATOM 261 N ASN A 19 -8.665 1.160 10.868 1.00 0.00 N ATOM 262 CA ASN A 19 -9.171 0.567 12.092 1.00 0.00 C ATOM 263 C ASN A 19 -8.123 0.608 13.202 1.00 0.00 C ATOM 264 O ASN A 19 -7.649 -0.431 13.662 1.00 0.00 O ATOM 265 CB ASN A 19 -9.617 -0.875 11.840 1.00 0.00 C ATOM 266 CG ASN A 19 -10.889 -1.226 12.587 1.00 0.00 C ATOM 267 OD1 ASN A 19 -11.818 -0.422 12.665 1.00 0.00 O ATOM 268 ND2 ASN A 19 -10.936 -2.432 13.141 1.00 0.00 N ATOM 0 H ASN A 19 -8.042 0.554 10.333 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.031 1.153 12.417 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.774 -1.022 10.771 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.822 -1.556 12.142 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.766 -2.724 13.657 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.142 -3.066 13.051 1.00 0.00 H new ATOM 275 N GLU A 20 -7.768 1.816 13.631 1.00 0.00 N ATOM 276 CA GLU A 20 -6.782 1.991 14.691 1.00 0.00 C ATOM 277 C GLU A 20 -7.427 1.867 16.072 1.00 0.00 C ATOM 278 O GLU A 20 -6.753 2.013 17.092 1.00 0.00 O ATOM 279 CB GLU A 20 -6.097 3.353 14.560 1.00 0.00 C ATOM 280 CG GLU A 20 -4.926 3.357 13.593 1.00 0.00 C ATOM 281 CD GLU A 20 -3.866 4.374 13.969 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.972 5.535 13.521 1.00 0.00 O ATOM 283 OE2 GLU A 20 -2.931 4.010 14.712 1.00 0.00 O ATOM 0 H GLU A 20 -8.149 2.687 13.261 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.037 1.202 14.587 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.831 4.089 14.231 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.747 3.670 15.542 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.478 2.364 13.566 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.290 3.571 12.588 1.00 0.00 H new ATOM 290 N ASP A 21 -8.730 1.593 16.102 1.00 0.00 N ATOM 291 CA ASP A 21 -9.449 1.447 17.361 1.00 0.00 C ATOM 292 C ASP A 21 -9.174 0.080 17.969 1.00 0.00 C ATOM 293 O ASP A 21 -9.094 -0.067 19.189 1.00 0.00 O ATOM 294 CB ASP A 21 -10.952 1.632 17.142 1.00 0.00 C ATOM 295 CG ASP A 21 -11.526 0.608 16.183 1.00 0.00 C ATOM 296 OD1 ASP A 21 -11.046 0.536 15.032 1.00 0.00 O ATOM 297 OD2 ASP A 21 -12.457 -0.123 16.582 1.00 0.00 O ATOM 0 H ASP A 21 -9.306 1.468 15.270 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.099 2.216 18.050 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.468 1.558 18.099 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.140 2.634 16.755 1.00 0.00 H new ATOM 302 N VAL A 22 -9.022 -0.918 17.106 1.00 0.00 N ATOM 303 CA VAL A 22 -8.744 -2.276 17.549 1.00 0.00 C ATOM 304 C VAL A 22 -7.427 -2.323 18.321 1.00 0.00 C ATOM 305 O VAL A 22 -6.673 -1.349 18.322 1.00 0.00 O ATOM 306 CB VAL A 22 -8.693 -3.251 16.350 1.00 0.00 C ATOM 307 CG1 VAL A 22 -7.404 -3.081 15.553 1.00 0.00 C ATOM 308 CG2 VAL A 22 -8.861 -4.689 16.817 1.00 0.00 C ATOM 0 H VAL A 22 -9.087 -0.810 16.094 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.553 -2.588 18.209 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.524 -3.010 15.687 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.398 -3.780 14.717 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.343 -2.061 15.173 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.548 -3.280 16.198 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.822 -5.358 15.957 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.059 -4.942 17.510 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.823 -4.799 17.319 1.00 0.00 H new ATOM 318 N SER A 23 -7.149 -3.448 18.980 1.00 0.00 N ATOM 319 CA SER A 23 -5.914 -3.590 19.750 1.00 0.00 C ATOM 320 C SER A 23 -4.713 -3.080 18.950 1.00 0.00 C ATOM 321 O SER A 23 -4.135 -2.047 19.286 1.00 0.00 O ATOM 322 CB SER A 23 -5.704 -5.048 20.168 1.00 0.00 C ATOM 323 OG SER A 23 -6.189 -5.278 21.480 1.00 0.00 O ATOM 0 H SER A 23 -7.756 -4.267 18.996 1.00 0.00 H new ATOM 0 HA SER A 23 -6.004 -2.984 20.652 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.216 -5.708 19.467 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.643 -5.294 20.121 1.00 0.00 H new ATOM 0 HG SER A 23 -6.045 -6.217 21.722 1.00 0.00 H new ATOM 329 N PRO A 24 -4.325 -3.784 17.869 1.00 0.00 N ATOM 330 CA PRO A 24 -3.200 -3.370 17.031 1.00 0.00 C ATOM 331 C PRO A 24 -3.576 -2.188 16.124 1.00 0.00 C ATOM 332 O PRO A 24 -3.661 -1.052 16.589 1.00 0.00 O ATOM 333 CB PRO A 24 -2.895 -4.635 16.225 1.00 0.00 C ATOM 334 CG PRO A 24 -4.217 -5.302 16.086 1.00 0.00 C ATOM 335 CD PRO A 24 -4.950 -5.026 17.371 1.00 0.00 C ATOM 0 HA PRO A 24 -2.344 -3.012 17.603 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.465 -4.395 15.253 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.178 -5.274 16.741 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.766 -4.909 15.230 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.100 -6.374 15.925 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.019 -4.897 17.203 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.836 -5.845 18.081 1.00 0.00 H new ATOM 343 N ALA A 25 -3.804 -2.454 14.834 1.00 0.00 N ATOM 344 CA ALA A 25 -4.170 -1.415 13.881 1.00 0.00 C ATOM 345 C ALA A 25 -4.152 -1.965 12.459 1.00 0.00 C ATOM 346 O ALA A 25 -3.248 -2.714 12.088 1.00 0.00 O ATOM 347 CB ALA A 25 -3.220 -0.243 14.006 1.00 0.00 C ATOM 0 H ALA A 25 -3.740 -3.388 14.429 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.181 -1.075 14.103 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.500 0.530 13.290 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.273 0.162 15.017 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.203 -0.576 13.801 1.00 0.00 H new ATOM 353 N GLU A 26 -5.156 -1.603 11.668 1.00 0.00 N ATOM 354 CA GLU A 26 -5.246 -2.075 10.299 1.00 0.00 C ATOM 355 C GLU A 26 -5.982 -1.078 9.406 1.00 0.00 C ATOM 356 O GLU A 26 -6.650 -0.165 9.892 1.00 0.00 O ATOM 357 CB GLU A 26 -5.949 -3.433 10.269 1.00 0.00 C ATOM 358 CG GLU A 26 -7.451 -3.355 10.493 1.00 0.00 C ATOM 359 CD GLU A 26 -8.130 -4.706 10.376 1.00 0.00 C ATOM 360 OE1 GLU A 26 -7.511 -5.635 9.815 1.00 0.00 O ATOM 361 OE2 GLU A 26 -9.280 -4.835 10.846 1.00 0.00 O ATOM 0 H GLU A 26 -5.916 -0.985 11.954 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.234 -2.179 9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.759 -3.908 9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.511 -4.075 11.033 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.646 -2.939 11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.888 -2.669 9.767 1.00 0.00 H new ATOM 368 N LEU A 27 -5.861 -1.274 8.097 1.00 0.00 N ATOM 369 CA LEU A 27 -6.513 -0.417 7.123 1.00 0.00 C ATOM 370 C LEU A 27 -7.565 -1.213 6.356 1.00 0.00 C ATOM 371 O LEU A 27 -7.252 -2.219 5.720 1.00 0.00 O ATOM 372 CB LEU A 27 -5.484 0.164 6.151 1.00 0.00 C ATOM 373 CG LEU A 27 -6.068 1.007 5.016 1.00 0.00 C ATOM 374 CD1 LEU A 27 -5.045 2.019 4.522 1.00 0.00 C ATOM 375 CD2 LEU A 27 -6.532 0.115 3.875 1.00 0.00 C ATOM 0 H LEU A 27 -5.310 -2.028 7.687 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.999 0.406 7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.781 0.778 6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.913 -0.657 5.717 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.931 1.551 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.478 2.610 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.760 2.679 5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.163 1.495 4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.945 0.731 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.686 -0.456 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.298 -0.570 4.237 1.00 0.00 H new ATOM 387 N THR A 28 -8.814 -0.766 6.430 1.00 0.00 N ATOM 388 CA THR A 28 -9.912 -1.448 5.752 1.00 0.00 C ATOM 389 C THR A 28 -10.471 -0.601 4.615 1.00 0.00 C ATOM 390 O THR A 28 -10.943 0.513 4.833 1.00 0.00 O ATOM 391 CB THR A 28 -11.025 -1.773 6.750 1.00 0.00 C ATOM 392 OG1 THR A 28 -10.535 -2.580 7.805 1.00 0.00 O ATOM 393 CG2 THR A 28 -12.199 -2.496 6.125 1.00 0.00 C ATOM 0 H THR A 28 -9.092 0.065 6.952 1.00 0.00 H new ATOM 0 HA THR A 28 -9.521 -2.373 5.329 1.00 0.00 H new ATOM 0 HB THR A 28 -11.370 -0.807 7.120 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.262 -2.775 8.433 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.951 -2.696 6.888 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.633 -1.875 5.341 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.859 -3.438 5.695 1.00 0.00 H new ATOM 401 N TRP A 29 -10.425 -1.142 3.403 1.00 0.00 N ATOM 402 CA TRP A 29 -10.939 -0.435 2.234 1.00 0.00 C ATOM 403 C TRP A 29 -12.026 -1.240 1.535 1.00 0.00 C ATOM 404 O TRP A 29 -11.930 -2.459 1.417 1.00 0.00 O ATOM 405 CB TRP A 29 -9.822 -0.130 1.231 1.00 0.00 C ATOM 406 CG TRP A 29 -10.349 0.398 -0.073 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.335 1.694 -0.499 1.00 0.00 C ATOM 408 CD2 TRP A 29 -10.990 -0.358 -1.112 1.00 0.00 C ATOM 409 NE1 TRP A 29 -10.935 1.795 -1.730 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.335 0.547 -2.133 1.00 0.00 C ATOM 411 CE3 TRP A 29 -11.304 -1.713 -1.279 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -11.975 0.141 -3.302 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.941 -2.110 -2.440 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.269 -1.186 -3.438 1.00 0.00 C ATOM 0 H TRP A 29 -10.039 -2.065 3.204 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.362 0.503 2.594 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -9.138 0.599 1.665 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.246 -1.037 1.046 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -9.913 2.521 0.052 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -11.062 2.658 -2.259 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -11.053 -2.434 -0.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -12.230 0.851 -4.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -12.190 -3.152 -2.579 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -12.765 -1.529 -4.334 1.00 0.00 H new ATOM 425 N ARG A 30 -13.045 -0.542 1.048 1.00 0.00 N ATOM 426 CA ARG A 30 -14.138 -1.189 0.328 1.00 0.00 C ATOM 427 C ARG A 30 -14.573 -0.351 -0.864 1.00 0.00 C ATOM 428 O ARG A 30 -14.367 0.862 -0.893 1.00 0.00 O ATOM 429 CB ARG A 30 -15.341 -1.434 1.240 1.00 0.00 C ATOM 430 CG ARG A 30 -16.068 -0.171 1.649 1.00 0.00 C ATOM 431 CD ARG A 30 -15.163 0.772 2.424 1.00 0.00 C ATOM 432 NE ARG A 30 -15.903 1.544 3.420 1.00 0.00 N ATOM 433 CZ ARG A 30 -16.286 1.059 4.599 1.00 0.00 C ATOM 434 NH1 ARG A 30 -16.003 -0.194 4.933 1.00 0.00 N ATOM 435 NH2 ARG A 30 -16.955 1.829 5.447 1.00 0.00 N ATOM 0 H ARG A 30 -13.138 0.470 1.138 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.764 -2.150 -0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.041 -2.096 0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.005 -1.954 2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -16.446 0.335 0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -16.932 -0.430 2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.380 0.198 2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.670 1.453 1.731 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.140 2.511 3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.489 -0.791 4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.299 -0.560 5.838 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.176 2.793 5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.249 1.458 6.350 1.00 0.00 H new ATOM 449 N SER A 31 -15.192 -1.005 -1.839 1.00 0.00 N ATOM 450 CA SER A 31 -15.675 -0.314 -3.028 1.00 0.00 C ATOM 451 C SER A 31 -16.630 0.808 -2.633 1.00 0.00 C ATOM 452 O SER A 31 -17.043 0.901 -1.477 1.00 0.00 O ATOM 453 CB SER A 31 -16.376 -1.299 -3.964 1.00 0.00 C ATOM 454 OG SER A 31 -17.460 -1.937 -3.312 1.00 0.00 O ATOM 0 H SER A 31 -15.371 -2.009 -1.830 1.00 0.00 H new ATOM 0 HA SER A 31 -14.823 0.119 -3.551 1.00 0.00 H new ATOM 0 HB2 SER A 31 -16.738 -0.772 -4.847 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.663 -2.048 -4.309 1.00 0.00 H new ATOM 0 HG SER A 31 -17.488 -1.656 -2.374 1.00 0.00 H new ATOM 460 N THR A 32 -16.982 1.657 -3.591 1.00 0.00 N ATOM 461 CA THR A 32 -17.890 2.762 -3.322 1.00 0.00 C ATOM 462 C THR A 32 -19.264 2.243 -2.943 1.00 0.00 C ATOM 463 O THR A 32 -19.990 2.867 -2.169 1.00 0.00 O ATOM 464 CB THR A 32 -17.995 3.681 -4.530 1.00 0.00 C ATOM 465 OG1 THR A 32 -16.818 3.623 -5.315 1.00 0.00 O ATOM 466 CG2 THR A 32 -18.234 5.127 -4.157 1.00 0.00 C ATOM 0 H THR A 32 -16.654 1.601 -4.555 1.00 0.00 H new ATOM 0 HA THR A 32 -17.487 3.333 -2.485 1.00 0.00 H new ATOM 0 HB THR A 32 -18.855 3.320 -5.094 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.909 4.221 -6.086 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.299 5.730 -5.062 1.00 0.00 H new ATOM 0 HG22 THR A 32 -19.166 5.209 -3.598 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.409 5.485 -3.541 1.00 0.00 H new ATOM 474 N ASP A 33 -19.607 1.092 -3.493 1.00 0.00 N ATOM 475 CA ASP A 33 -20.885 0.462 -3.223 1.00 0.00 C ATOM 476 C ASP A 33 -20.997 -0.839 -4.002 1.00 0.00 C ATOM 477 O ASP A 33 -22.010 -1.107 -4.648 1.00 0.00 O ATOM 478 CB ASP A 33 -22.038 1.399 -3.590 1.00 0.00 C ATOM 479 CG ASP A 33 -23.208 1.279 -2.634 1.00 0.00 C ATOM 480 OD1 ASP A 33 -22.981 0.912 -1.462 1.00 0.00 O ATOM 481 OD2 ASP A 33 -24.351 1.552 -3.057 1.00 0.00 O ATOM 0 H ASP A 33 -19.011 0.571 -4.136 1.00 0.00 H new ATOM 0 HA ASP A 33 -20.947 0.245 -2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -21.679 2.428 -3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.375 1.176 -4.602 1.00 0.00 H new ATOM 486 N GLY A 34 -19.939 -1.643 -3.947 1.00 0.00 N ATOM 487 CA GLY A 34 -19.937 -2.905 -4.666 1.00 0.00 C ATOM 488 C GLY A 34 -19.862 -4.105 -3.747 1.00 0.00 C ATOM 489 O GLY A 34 -19.366 -5.161 -4.138 1.00 0.00 O ATOM 0 H GLY A 34 -19.088 -1.445 -3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -20.840 -2.974 -5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.090 -2.925 -5.352 1.00 0.00 H new ATOM 493 N ASP A 35 -20.352 -3.944 -2.521 1.00 0.00 N ATOM 494 CA ASP A 35 -20.335 -5.024 -1.538 1.00 0.00 C ATOM 495 C ASP A 35 -18.981 -5.723 -1.527 1.00 0.00 C ATOM 496 O ASP A 35 -18.886 -6.924 -1.276 1.00 0.00 O ATOM 497 CB ASP A 35 -21.448 -6.032 -1.831 1.00 0.00 C ATOM 498 CG ASP A 35 -22.710 -5.744 -1.043 1.00 0.00 C ATOM 499 OD1 ASP A 35 -23.005 -4.554 -0.807 1.00 0.00 O ATOM 500 OD2 ASP A 35 -23.406 -6.710 -0.663 1.00 0.00 O ATOM 0 H ASP A 35 -20.766 -3.075 -2.184 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.507 -4.590 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -21.677 -6.017 -2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.096 -7.036 -1.595 1.00 0.00 H new ATOM 505 N LYS A 36 -17.940 -4.951 -1.801 1.00 0.00 N ATOM 506 CA LYS A 36 -16.586 -5.464 -1.828 1.00 0.00 C ATOM 507 C LYS A 36 -15.727 -4.750 -0.801 1.00 0.00 C ATOM 508 O LYS A 36 -15.807 -3.533 -0.657 1.00 0.00 O ATOM 509 CB LYS A 36 -15.975 -5.289 -3.214 1.00 0.00 C ATOM 510 CG LYS A 36 -16.267 -6.440 -4.160 1.00 0.00 C ATOM 511 CD LYS A 36 -15.010 -6.887 -4.885 1.00 0.00 C ATOM 512 CE LYS A 36 -15.317 -7.353 -6.299 1.00 0.00 C ATOM 513 NZ LYS A 36 -16.119 -6.351 -7.053 1.00 0.00 N ATOM 0 H LYS A 36 -18.014 -3.955 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.622 -6.526 -1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.351 -4.365 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -14.895 -5.178 -3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.684 -7.277 -3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.020 -6.135 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.296 -6.064 -4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.537 -7.696 -4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.384 -7.544 -6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.860 -8.297 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.833 -6.359 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -17.129 -6.589 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.956 -5.405 -6.654 1.00 0.00 H new ATOM 527 N VAL A 37 -14.902 -5.506 -0.095 1.00 0.00 N ATOM 528 CA VAL A 37 -14.029 -4.933 0.912 1.00 0.00 C ATOM 529 C VAL A 37 -12.716 -5.695 1.004 1.00 0.00 C ATOM 530 O VAL A 37 -12.643 -6.881 0.684 1.00 0.00 O ATOM 531 CB VAL A 37 -14.686 -4.914 2.308 1.00 0.00 C ATOM 532 CG1 VAL A 37 -13.991 -3.910 3.215 1.00 0.00 C ATOM 533 CG2 VAL A 37 -16.176 -4.609 2.213 1.00 0.00 C ATOM 0 H VAL A 37 -14.820 -6.517 -0.202 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.838 -3.907 0.597 1.00 0.00 H new ATOM 0 HB VAL A 37 -14.575 -5.907 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.470 -3.912 4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.941 -4.183 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.063 -2.914 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -16.611 -4.603 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -16.319 -3.633 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -16.666 -5.373 1.609 1.00 0.00 H new ATOM 543 N HIS A 38 -11.684 -4.999 1.454 1.00 0.00 N ATOM 544 CA HIS A 38 -10.362 -5.588 1.610 1.00 0.00 C ATOM 545 C HIS A 38 -9.588 -4.857 2.699 1.00 0.00 C ATOM 546 O HIS A 38 -9.287 -3.670 2.571 1.00 0.00 O ATOM 547 CB HIS A 38 -9.593 -5.530 0.290 1.00 0.00 C ATOM 548 CG HIS A 38 -8.746 -6.739 0.038 1.00 0.00 C ATOM 549 ND1 HIS A 38 -8.700 -7.385 -1.180 1.00 0.00 N ATOM 550 CD2 HIS A 38 -7.909 -7.421 0.855 1.00 0.00 C ATOM 551 CE1 HIS A 38 -7.871 -8.412 -1.100 1.00 0.00 C ATOM 552 NE2 HIS A 38 -7.378 -8.455 0.123 1.00 0.00 N ATOM 0 H HIS A 38 -11.737 -4.016 1.720 1.00 0.00 H new ATOM 0 HA HIS A 38 -10.479 -6.632 1.899 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -10.302 -5.416 -0.530 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -8.958 -4.644 0.287 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -7.698 -7.194 1.890 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.637 -9.099 -1.900 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.711 -9.144 0.469 1.00 0.00 H new ATOM 561 N THR A 39 -9.277 -5.568 3.776 1.00 0.00 N ATOM 562 CA THR A 39 -8.551 -4.986 4.888 1.00 0.00 C ATOM 563 C THR A 39 -7.152 -5.578 5.005 1.00 0.00 C ATOM 564 O THR A 39 -6.961 -6.784 4.843 1.00 0.00 O ATOM 565 CB THR A 39 -9.316 -5.207 6.194 1.00 0.00 C ATOM 566 OG1 THR A 39 -10.643 -4.725 6.086 1.00 0.00 O ATOM 567 CG2 THR A 39 -8.674 -4.530 7.385 1.00 0.00 C ATOM 0 H THR A 39 -9.519 -6.551 3.899 1.00 0.00 H new ATOM 0 HA THR A 39 -8.456 -3.916 4.701 1.00 0.00 H new ATOM 0 HB THR A 39 -9.301 -6.284 6.359 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.071 -4.744 6.968 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.267 -4.727 8.278 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.666 -4.920 7.525 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.626 -3.455 7.211 1.00 0.00 H new ATOM 575 N VAL A 40 -6.176 -4.725 5.297 1.00 0.00 N ATOM 576 CA VAL A 40 -4.796 -5.167 5.448 1.00 0.00 C ATOM 577 C VAL A 40 -4.293 -4.884 6.860 1.00 0.00 C ATOM 578 O VAL A 40 -4.609 -3.850 7.446 1.00 0.00 O ATOM 579 CB VAL A 40 -3.861 -4.491 4.418 1.00 0.00 C ATOM 580 CG1 VAL A 40 -4.519 -4.440 3.048 1.00 0.00 C ATOM 581 CG2 VAL A 40 -3.462 -3.096 4.876 1.00 0.00 C ATOM 0 H VAL A 40 -6.316 -3.724 5.434 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.781 -6.242 5.267 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.955 -5.091 4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.845 -3.961 2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.739 -5.453 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.446 -3.869 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.805 -2.643 4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.355 -2.482 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.940 -3.162 5.831 1.00 0.00 H new ATOM 591 N VAL A 41 -3.510 -5.808 7.400 1.00 0.00 N ATOM 592 CA VAL A 41 -2.965 -5.658 8.744 1.00 0.00 C ATOM 593 C VAL A 41 -1.449 -5.518 8.707 1.00 0.00 C ATOM 594 O VAL A 41 -0.766 -6.240 7.983 1.00 0.00 O ATOM 595 CB VAL A 41 -3.338 -6.855 9.639 1.00 0.00 C ATOM 596 CG1 VAL A 41 -2.941 -6.587 11.083 1.00 0.00 C ATOM 597 CG2 VAL A 41 -4.825 -7.158 9.534 1.00 0.00 C ATOM 0 H VAL A 41 -3.237 -6.670 6.928 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.401 -4.752 9.164 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.788 -7.730 9.292 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.212 -7.444 11.700 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.865 -6.425 11.140 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.461 -5.700 11.445 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.069 -8.006 10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.397 -6.287 9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.075 -7.398 8.501 1.00 0.00 H new ATOM 607 N LEU A 42 -0.928 -4.581 9.491 1.00 0.00 N ATOM 608 CA LEU A 42 0.507 -4.338 9.547 1.00 0.00 C ATOM 609 C LEU A 42 1.285 -5.625 9.794 1.00 0.00 C ATOM 610 O LEU A 42 2.398 -5.795 9.297 1.00 0.00 O ATOM 611 CB LEU A 42 0.821 -3.323 10.638 1.00 0.00 C ATOM 612 CG LEU A 42 1.242 -1.949 10.118 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.506 -0.841 10.855 1.00 0.00 C ATOM 614 CD2 LEU A 42 2.750 -1.772 10.238 1.00 0.00 C ATOM 0 H LEU A 42 -1.481 -3.976 10.098 1.00 0.00 H new ATOM 0 HA LEU A 42 0.816 -3.941 8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.058 -3.205 11.272 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.617 -3.719 11.268 1.00 0.00 H new ATOM 0 HG LEU A 42 0.973 -1.886 9.064 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.823 0.127 10.467 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.568 -0.957 10.708 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.735 -0.898 11.919 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.032 -0.788 9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.045 -1.860 11.284 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.254 -2.541 9.653 1.00 0.00 H new ATOM 626 N SER A 43 0.693 -6.529 10.564 1.00 0.00 N ATOM 627 CA SER A 43 1.331 -7.805 10.877 1.00 0.00 C ATOM 628 C SER A 43 1.898 -8.462 9.618 1.00 0.00 C ATOM 629 O SER A 43 2.860 -9.227 9.686 1.00 0.00 O ATOM 630 CB SER A 43 0.333 -8.747 11.552 1.00 0.00 C ATOM 631 OG SER A 43 0.998 -9.697 12.366 1.00 0.00 O ATOM 0 H SER A 43 -0.228 -6.404 10.984 1.00 0.00 H new ATOM 0 HA SER A 43 2.156 -7.608 11.562 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.364 -8.169 12.158 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.256 -9.262 10.793 1.00 0.00 H new ATOM 0 HG SER A 43 0.338 -10.286 12.787 1.00 0.00 H new ATOM 637 N THR A 44 1.302 -8.149 8.469 1.00 0.00 N ATOM 638 CA THR A 44 1.752 -8.697 7.196 1.00 0.00 C ATOM 639 C THR A 44 2.464 -7.622 6.380 1.00 0.00 C ATOM 640 O THR A 44 3.268 -7.919 5.499 1.00 0.00 O ATOM 641 CB THR A 44 0.560 -9.256 6.418 1.00 0.00 C ATOM 642 OG1 THR A 44 0.982 -10.216 5.467 1.00 0.00 O ATOM 643 CG2 THR A 44 -0.237 -8.198 5.684 1.00 0.00 C ATOM 0 H THR A 44 0.505 -7.517 8.396 1.00 0.00 H new ATOM 0 HA THR A 44 2.456 -9.507 7.388 1.00 0.00 H new ATOM 0 HB THR A 44 -0.083 -9.706 7.174 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.203 -10.561 4.983 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.066 -8.669 5.155 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.627 -7.475 6.400 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.408 -7.688 4.968 1.00 0.00 H new ATOM 651 N ILE A 45 2.148 -6.371 6.689 1.00 0.00 N ATOM 652 CA ILE A 45 2.737 -5.227 6.006 1.00 0.00 C ATOM 653 C ILE A 45 3.427 -4.307 7.015 1.00 0.00 C ATOM 654 O ILE A 45 2.789 -3.788 7.928 1.00 0.00 O ATOM 655 CB ILE A 45 1.661 -4.449 5.202 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.077 -2.983 4.966 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.301 -4.532 5.889 1.00 0.00 C ATOM 658 CD1 ILE A 45 1.485 -1.994 5.950 1.00 0.00 C ATOM 0 H ILE A 45 1.479 -6.122 7.417 1.00 0.00 H new ATOM 0 HA ILE A 45 3.483 -5.593 5.301 1.00 0.00 H new ATOM 0 HB ILE A 45 1.575 -4.923 4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.164 -2.915 5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.782 -2.693 3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.435 -3.979 5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.005 -5.575 5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.371 -4.101 6.888 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.831 -0.989 5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.397 -2.028 5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.800 -2.253 6.961 1.00 0.00 H new ATOM 670 N ASP A 46 4.739 -4.119 6.864 1.00 0.00 N ATOM 671 CA ASP A 46 5.486 -3.275 7.793 1.00 0.00 C ATOM 672 C ASP A 46 6.183 -2.114 7.097 1.00 0.00 C ATOM 673 O ASP A 46 7.173 -1.581 7.599 1.00 0.00 O ATOM 674 CB ASP A 46 6.506 -4.108 8.570 1.00 0.00 C ATOM 675 CG ASP A 46 5.872 -5.299 9.262 1.00 0.00 C ATOM 676 OD1 ASP A 46 4.875 -5.102 9.988 1.00 0.00 O ATOM 677 OD2 ASP A 46 6.373 -6.428 9.078 1.00 0.00 O ATOM 0 H ASP A 46 5.298 -4.534 6.118 1.00 0.00 H new ATOM 0 HA ASP A 46 4.760 -2.849 8.485 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.281 -4.458 7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.996 -3.478 9.313 1.00 0.00 H new ATOM 682 N LYS A 47 5.648 -1.708 5.960 1.00 0.00 N ATOM 683 CA LYS A 47 6.209 -0.583 5.211 1.00 0.00 C ATOM 684 C LYS A 47 5.167 0.048 4.296 1.00 0.00 C ATOM 685 O LYS A 47 4.342 -0.645 3.700 1.00 0.00 O ATOM 686 CB LYS A 47 7.437 -1.001 4.391 1.00 0.00 C ATOM 687 CG LYS A 47 8.099 -2.286 4.858 1.00 0.00 C ATOM 688 CD LYS A 47 9.284 -2.648 3.978 1.00 0.00 C ATOM 689 CE LYS A 47 9.780 -4.057 4.259 1.00 0.00 C ATOM 690 NZ LYS A 47 11.066 -4.054 5.009 1.00 0.00 N ATOM 0 H LYS A 47 4.827 -2.135 5.530 1.00 0.00 H new ATOM 0 HA LYS A 47 6.524 0.157 5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.139 -1.118 3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.171 -0.196 4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.431 -2.172 5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.372 -3.098 4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.998 -2.565 2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.093 -1.937 4.145 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.027 -4.599 4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.910 -4.591 3.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.370 -5.034 5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.791 -3.559 4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.936 -3.567 5.919 1.00 0.00 H new ATOM 704 N LEU A 48 5.218 1.372 4.192 1.00 0.00 N ATOM 705 CA LEU A 48 4.288 2.116 3.352 1.00 0.00 C ATOM 706 C LEU A 48 5.037 3.148 2.504 1.00 0.00 C ATOM 707 O LEU A 48 5.718 4.024 3.038 1.00 0.00 O ATOM 708 CB LEU A 48 3.232 2.814 4.218 1.00 0.00 C ATOM 709 CG LEU A 48 3.690 4.107 4.900 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.548 4.732 5.684 1.00 0.00 C ATOM 711 CD2 LEU A 48 4.879 3.837 5.810 1.00 0.00 C ATOM 0 H LEU A 48 5.898 1.954 4.682 1.00 0.00 H new ATOM 0 HA LEU A 48 3.789 1.413 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.367 3.039 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.898 2.117 4.986 1.00 0.00 H new ATOM 0 HG LEU A 48 4.000 4.811 4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.893 5.649 6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.725 4.962 5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.205 4.033 6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.191 4.766 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.595 3.115 6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.704 3.436 5.221 1.00 0.00 H new ATOM 723 N GLN A 49 4.904 3.043 1.187 1.00 0.00 N ATOM 724 CA GLN A 49 5.563 3.971 0.272 1.00 0.00 C ATOM 725 C GLN A 49 4.552 4.966 -0.293 1.00 0.00 C ATOM 726 O GLN A 49 3.577 4.576 -0.935 1.00 0.00 O ATOM 727 CB GLN A 49 6.233 3.202 -0.869 1.00 0.00 C ATOM 728 CG GLN A 49 7.718 2.963 -0.652 1.00 0.00 C ATOM 729 CD GLN A 49 8.008 1.598 -0.060 1.00 0.00 C ATOM 730 OE1 GLN A 49 8.584 0.732 -0.719 1.00 0.00 O ATOM 731 NE2 GLN A 49 7.609 1.398 1.191 1.00 0.00 N ATOM 0 H GLN A 49 4.345 2.324 0.727 1.00 0.00 H new ATOM 0 HA GLN A 49 6.326 4.520 0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.733 2.241 -0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.094 3.754 -1.799 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.241 3.061 -1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.113 3.734 0.010 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.135 2.144 1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.777 0.499 1.642 1.00 0.00 H new ATOM 740 N ALA A 50 4.789 6.251 -0.050 1.00 0.00 N ATOM 741 CA ALA A 50 3.895 7.299 -0.535 1.00 0.00 C ATOM 742 C ALA A 50 4.625 8.243 -1.484 1.00 0.00 C ATOM 743 O ALA A 50 5.855 8.258 -1.536 1.00 0.00 O ATOM 744 CB ALA A 50 3.308 8.075 0.637 1.00 0.00 C ATOM 0 H ALA A 50 5.591 6.592 0.479 1.00 0.00 H new ATOM 0 HA ALA A 50 3.083 6.826 -1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.643 8.853 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.746 7.396 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.114 8.532 1.211 1.00 0.00 H new ATOM 750 N THR A 51 3.861 9.030 -2.234 1.00 0.00 N ATOM 751 CA THR A 51 4.438 9.977 -3.181 1.00 0.00 C ATOM 752 C THR A 51 4.900 11.246 -2.466 1.00 0.00 C ATOM 753 O THR A 51 4.370 11.603 -1.414 1.00 0.00 O ATOM 754 CB THR A 51 3.424 10.328 -4.274 1.00 0.00 C ATOM 755 OG1 THR A 51 2.191 9.668 -4.049 1.00 0.00 O ATOM 756 CG2 THR A 51 3.893 9.960 -5.665 1.00 0.00 C ATOM 0 H THR A 51 2.841 9.031 -2.205 1.00 0.00 H new ATOM 0 HA THR A 51 5.305 9.506 -3.644 1.00 0.00 H new ATOM 0 HB THR A 51 3.307 11.410 -4.220 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.332 8.698 -4.061 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.128 10.235 -6.391 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.817 10.493 -5.891 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.072 8.886 -5.716 1.00 0.00 H new ATOM 764 N PRO A 52 5.899 11.945 -3.031 1.00 0.00 N ATOM 765 CA PRO A 52 6.431 13.179 -2.442 1.00 0.00 C ATOM 766 C PRO A 52 5.422 14.321 -2.481 1.00 0.00 C ATOM 767 O PRO A 52 4.446 14.276 -3.230 1.00 0.00 O ATOM 768 CB PRO A 52 7.641 13.504 -3.321 1.00 0.00 C ATOM 769 CG PRO A 52 7.360 12.834 -4.621 1.00 0.00 C ATOM 770 CD PRO A 52 6.587 11.590 -4.286 1.00 0.00 C ATOM 0 HA PRO A 52 6.677 13.052 -1.388 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.759 14.580 -3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.564 13.132 -2.876 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.785 13.485 -5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.286 12.590 -5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.879 11.332 -5.074 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.245 10.731 -4.155 1.00 0.00 H new ATOM 778 N ALA A 53 5.663 15.345 -1.668 1.00 0.00 N ATOM 779 CA ALA A 53 4.775 16.499 -1.609 1.00 0.00 C ATOM 780 C ALA A 53 4.749 17.241 -2.941 1.00 0.00 C ATOM 781 O ALA A 53 3.687 17.636 -3.422 1.00 0.00 O ATOM 782 CB ALA A 53 5.202 17.436 -0.489 1.00 0.00 C ATOM 0 H ALA A 53 6.466 15.398 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 53 3.766 16.140 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.530 18.294 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.162 16.907 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.220 17.780 -0.670 1.00 0.00 H new ATOM 788 N SER A 54 5.925 17.428 -3.532 1.00 0.00 N ATOM 789 CA SER A 54 6.036 18.123 -4.809 1.00 0.00 C ATOM 790 C SER A 54 5.247 17.402 -5.895 1.00 0.00 C ATOM 791 O SER A 54 4.806 18.014 -6.868 1.00 0.00 O ATOM 792 CB SER A 54 7.503 18.246 -5.223 1.00 0.00 C ATOM 793 OG SER A 54 8.301 18.707 -4.146 1.00 0.00 O ATOM 0 H SER A 54 6.814 17.108 -3.147 1.00 0.00 H new ATOM 0 HA SER A 54 5.616 19.121 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.870 17.278 -5.563 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.590 18.934 -6.064 1.00 0.00 H new ATOM 0 HG SER A 54 9.235 18.775 -4.436 1.00 0.00 H new ATOM 799 N SER A 55 5.073 16.099 -5.721 1.00 0.00 N ATOM 800 CA SER A 55 4.338 15.289 -6.682 1.00 0.00 C ATOM 801 C SER A 55 2.848 15.612 -6.640 1.00 0.00 C ATOM 802 O SER A 55 2.366 16.243 -5.699 1.00 0.00 O ATOM 803 CB SER A 55 4.558 13.801 -6.403 1.00 0.00 C ATOM 804 OG SER A 55 5.630 13.289 -7.175 1.00 0.00 O ATOM 0 H SER A 55 5.432 15.579 -4.920 1.00 0.00 H new ATOM 0 HA SER A 55 4.714 15.523 -7.678 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.766 13.654 -5.343 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.647 13.247 -6.629 1.00 0.00 H new ATOM 0 HG SER A 55 5.650 12.312 -7.100 1.00 0.00 H new ATOM 810 N GLU A 56 2.124 15.175 -7.665 1.00 0.00 N ATOM 811 CA GLU A 56 0.688 15.417 -7.744 1.00 0.00 C ATOM 812 C GLU A 56 -0.091 14.111 -7.619 1.00 0.00 C ATOM 813 O GLU A 56 -1.171 14.075 -7.029 1.00 0.00 O ATOM 814 CB GLU A 56 0.338 16.107 -9.064 1.00 0.00 C ATOM 815 CG GLU A 56 0.510 17.617 -9.025 1.00 0.00 C ATOM 816 CD GLU A 56 -0.812 18.351 -8.912 1.00 0.00 C ATOM 817 OE1 GLU A 56 -1.475 18.544 -9.953 1.00 0.00 O ATOM 818 OE2 GLU A 56 -1.184 18.734 -7.783 1.00 0.00 O ATOM 0 H GLU A 56 2.508 14.652 -8.452 1.00 0.00 H new ATOM 0 HA GLU A 56 0.408 16.068 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.966 15.698 -9.856 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.695 15.874 -9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.144 17.885 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.027 17.944 -9.927 1.00 0.00 H new ATOM 825 N LYS A 57 0.465 13.041 -8.179 1.00 0.00 N ATOM 826 CA LYS A 57 -0.176 11.733 -8.131 1.00 0.00 C ATOM 827 C LYS A 57 -0.294 11.234 -6.694 1.00 0.00 C ATOM 828 O LYS A 57 0.561 10.491 -6.213 1.00 0.00 O ATOM 829 CB LYS A 57 0.611 10.726 -8.974 1.00 0.00 C ATOM 830 CG LYS A 57 -0.115 10.291 -10.237 1.00 0.00 C ATOM 831 CD LYS A 57 -0.828 8.963 -10.039 1.00 0.00 C ATOM 832 CE LYS A 57 0.078 7.789 -10.375 1.00 0.00 C ATOM 833 NZ LYS A 57 0.202 7.585 -11.844 1.00 0.00 N ATOM 0 H LYS A 57 1.358 13.055 -8.671 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.181 11.833 -8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.570 11.166 -9.249 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.826 9.846 -8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.838 11.054 -10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.598 10.204 -11.057 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.165 8.880 -9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.718 8.929 -10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.066 7.959 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.316 6.883 -9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.772 6.735 -12.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.744 7.464 -12.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.665 8.413 -12.272 1.00 0.00 H new ATOM 847 N MET A 58 -1.359 11.648 -6.015 1.00 0.00 N ATOM 848 CA MET A 58 -1.590 11.242 -4.633 1.00 0.00 C ATOM 849 C MET A 58 -1.898 9.750 -4.549 1.00 0.00 C ATOM 850 O MET A 58 -3.009 9.318 -4.857 1.00 0.00 O ATOM 851 CB MET A 58 -2.739 12.049 -4.023 1.00 0.00 C ATOM 852 CG MET A 58 -3.933 12.214 -4.952 1.00 0.00 C ATOM 853 SD MET A 58 -4.012 13.854 -5.699 1.00 0.00 S ATOM 854 CE MET A 58 -4.145 14.885 -4.241 1.00 0.00 C ATOM 0 H MET A 58 -2.075 12.264 -6.399 1.00 0.00 H new ATOM 0 HA MET A 58 -0.680 11.440 -4.067 1.00 0.00 H new ATOM 0 HB2 MET A 58 -3.068 11.559 -3.106 1.00 0.00 H new ATOM 0 HB3 MET A 58 -2.369 13.035 -3.743 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.882 11.462 -5.740 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.851 12.029 -4.394 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.165 15.258 -4.151 1.00 0.00 H new ATOM 0 HE2 MET A 58 -3.894 14.299 -3.357 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.457 15.726 -4.326 1.00 0.00 H new ATOM 864 N MET A 59 -0.908 8.967 -4.132 1.00 0.00 N ATOM 865 CA MET A 59 -1.074 7.521 -4.010 1.00 0.00 C ATOM 866 C MET A 59 0.029 6.914 -3.147 1.00 0.00 C ATOM 867 O MET A 59 1.183 7.340 -3.208 1.00 0.00 O ATOM 868 CB MET A 59 -1.078 6.861 -5.393 1.00 0.00 C ATOM 869 CG MET A 59 -0.270 7.609 -6.440 1.00 0.00 C ATOM 870 SD MET A 59 0.702 6.511 -7.489 1.00 0.00 S ATOM 871 CE MET A 59 2.363 6.907 -6.948 1.00 0.00 C ATOM 0 H MET A 59 0.018 9.308 -3.873 1.00 0.00 H new ATOM 0 HA MET A 59 -2.033 7.335 -3.526 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.685 5.848 -5.302 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.108 6.773 -5.739 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.946 8.195 -7.063 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.397 8.313 -5.943 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.069 6.211 -7.401 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.612 7.924 -7.251 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.421 6.828 -5.862 1.00 0.00 H new ATOM 881 N LEU A 60 -0.332 5.916 -2.345 1.00 0.00 N ATOM 882 CA LEU A 60 0.631 5.250 -1.471 1.00 0.00 C ATOM 883 C LEU A 60 0.472 3.732 -1.533 1.00 0.00 C ATOM 884 O LEU A 60 -0.646 3.216 -1.557 1.00 0.00 O ATOM 885 CB LEU A 60 0.473 5.731 -0.025 1.00 0.00 C ATOM 886 CG LEU A 60 -0.942 6.149 0.375 1.00 0.00 C ATOM 887 CD1 LEU A 60 -1.086 6.158 1.889 1.00 0.00 C ATOM 888 CD2 LEU A 60 -1.272 7.516 -0.202 1.00 0.00 C ATOM 0 H LEU A 60 -1.282 5.551 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 60 1.630 5.508 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.801 4.935 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.142 6.576 0.134 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.647 5.424 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.099 6.458 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.888 5.160 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.374 6.863 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.283 7.800 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.563 8.252 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.207 7.477 -1.289 1.00 0.00 H new ATOM 900 N ARG A 61 1.598 3.022 -1.549 1.00 0.00 N ATOM 901 CA ARG A 61 1.585 1.563 -1.597 1.00 0.00 C ATOM 902 C ARG A 61 2.204 0.988 -0.325 1.00 0.00 C ATOM 903 O ARG A 61 3.164 1.538 0.206 1.00 0.00 O ATOM 904 CB ARG A 61 2.330 1.054 -2.844 1.00 0.00 C ATOM 905 CG ARG A 61 3.818 0.789 -2.637 1.00 0.00 C ATOM 906 CD ARG A 61 4.379 -0.101 -3.735 1.00 0.00 C ATOM 907 NE ARG A 61 5.825 -0.272 -3.615 1.00 0.00 N ATOM 908 CZ ARG A 61 6.506 -1.258 -4.195 1.00 0.00 C ATOM 909 NH1 ARG A 61 5.877 -2.163 -4.935 1.00 0.00 N ATOM 910 NH2 ARG A 61 7.820 -1.339 -4.036 1.00 0.00 N ATOM 0 H ARG A 61 2.531 3.434 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 61 0.550 1.226 -1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.855 0.133 -3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.213 1.786 -3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.359 1.735 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.974 0.316 -1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.894 -1.076 -3.694 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.144 0.332 -4.708 1.00 0.00 H new ATOM 0 HE ARG A 61 6.343 0.404 -3.054 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.867 -2.105 -5.062 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.404 -2.916 -5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.309 -0.646 -3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.342 -2.094 -4.480 1.00 0.00 H new ATOM 924 N LEU A 62 1.650 -0.113 0.162 1.00 0.00 N ATOM 925 CA LEU A 62 2.156 -0.743 1.377 1.00 0.00 C ATOM 926 C LEU A 62 2.805 -2.083 1.077 1.00 0.00 C ATOM 927 O LEU A 62 2.306 -2.877 0.280 1.00 0.00 O ATOM 928 CB LEU A 62 1.050 -0.898 2.423 1.00 0.00 C ATOM 929 CG LEU A 62 -0.222 -0.083 2.167 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.273 -0.936 1.474 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.765 0.478 3.472 1.00 0.00 C ATOM 0 H LEU A 62 0.853 -0.588 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 62 2.921 -0.086 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.778 -1.952 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.452 -0.615 3.396 1.00 0.00 H new ATOM 0 HG LEU A 62 0.029 0.751 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.169 -0.340 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.883 -1.290 0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.522 -1.790 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.668 1.054 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.000 -0.342 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.016 1.124 3.930 1.00 0.00 H new ATOM 943 N ILE A 63 3.944 -2.299 1.715 1.00 0.00 N ATOM 944 CA ILE A 63 4.723 -3.509 1.536 1.00 0.00 C ATOM 945 C ILE A 63 4.279 -4.609 2.496 1.00 0.00 C ATOM 946 O ILE A 63 3.943 -4.342 3.645 1.00 0.00 O ATOM 947 CB ILE A 63 6.216 -3.194 1.768 1.00 0.00 C ATOM 948 CG1 ILE A 63 6.940 -3.010 0.438 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.884 -4.266 2.608 1.00 0.00 C ATOM 950 CD1 ILE A 63 6.769 -1.621 -0.135 1.00 0.00 C ATOM 0 H ILE A 63 4.354 -1.636 2.373 1.00 0.00 H new ATOM 0 HA ILE A 63 4.566 -3.867 0.518 1.00 0.00 H new ATOM 0 HB ILE A 63 6.278 -2.258 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.002 -3.213 0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.567 -3.742 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.934 -4.013 2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.390 -4.329 3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.809 -5.227 2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.306 -1.549 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.710 -1.424 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.168 -0.887 0.565 1.00 0.00 H new ATOM 962 N GLY A 64 4.311 -5.850 2.022 1.00 0.00 N ATOM 963 CA GLY A 64 3.937 -6.974 2.858 1.00 0.00 C ATOM 964 C GLY A 64 5.144 -7.557 3.564 1.00 0.00 C ATOM 965 O GLY A 64 5.345 -8.769 3.557 1.00 0.00 O ATOM 0 H GLY A 64 4.590 -6.097 1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.201 -6.653 3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.463 -7.743 2.248 1.00 0.00 H new ATOM 969 N LYS A 65 5.938 -6.667 4.166 1.00 0.00 N ATOM 970 CA LYS A 65 7.161 -7.014 4.898 1.00 0.00 C ATOM 971 C LYS A 65 7.906 -8.208 4.300 1.00 0.00 C ATOM 972 O LYS A 65 7.308 -9.180 3.847 1.00 0.00 O ATOM 973 CB LYS A 65 6.859 -7.266 6.371 1.00 0.00 C ATOM 974 CG LYS A 65 5.696 -8.213 6.609 1.00 0.00 C ATOM 975 CD LYS A 65 6.068 -9.328 7.575 1.00 0.00 C ATOM 976 CE LYS A 65 5.458 -10.655 7.155 1.00 0.00 C ATOM 977 NZ LYS A 65 5.291 -11.580 8.309 1.00 0.00 N ATOM 0 H LYS A 65 5.746 -5.665 4.158 1.00 0.00 H new ATOM 0 HA LYS A 65 7.822 -6.152 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.750 -7.673 6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.644 -6.314 6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.848 -7.655 7.006 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.378 -8.645 5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.153 -9.424 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.727 -9.071 8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.489 -10.478 6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.092 -11.124 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.872 -12.473 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.219 -11.770 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.665 -11.144 9.016 1.00 0.00 H new ATOM 991 N VAL A 66 9.229 -8.123 4.311 1.00 0.00 N ATOM 992 CA VAL A 66 10.067 -9.179 3.780 1.00 0.00 C ATOM 993 C VAL A 66 11.038 -9.698 4.834 1.00 0.00 C ATOM 994 O VAL A 66 11.271 -9.047 5.852 1.00 0.00 O ATOM 995 CB VAL A 66 10.856 -8.703 2.556 1.00 0.00 C ATOM 996 CG1 VAL A 66 11.358 -9.888 1.745 1.00 0.00 C ATOM 997 CG2 VAL A 66 10.011 -7.774 1.694 1.00 0.00 C ATOM 0 H VAL A 66 9.744 -7.326 4.685 1.00 0.00 H new ATOM 0 HA VAL A 66 9.402 -9.989 3.480 1.00 0.00 H new ATOM 0 HB VAL A 66 11.722 -8.142 2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.916 -9.527 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.009 -10.504 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.510 -10.483 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.592 -7.449 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.121 -8.303 1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.714 -6.904 2.280 1.00 0.00 H new ATOM 1311 N ARG A 86 3.324 -6.342 -3.086 1.00 0.00 N ATOM 1312 CA ARG A 86 3.006 -4.948 -2.799 1.00 0.00 C ATOM 1313 C ARG A 86 1.672 -4.539 -3.414 1.00 0.00 C ATOM 1314 O ARG A 86 1.169 -5.188 -4.332 1.00 0.00 O ATOM 1315 CB ARG A 86 4.116 -4.031 -3.316 1.00 0.00 C ATOM 1316 CG ARG A 86 5.304 -3.937 -2.379 1.00 0.00 C ATOM 1317 CD ARG A 86 6.277 -5.086 -2.593 1.00 0.00 C ATOM 1318 NE ARG A 86 7.405 -4.698 -3.436 1.00 0.00 N ATOM 1319 CZ ARG A 86 8.445 -5.489 -3.692 1.00 0.00 C ATOM 1320 NH1 ARG A 86 8.503 -6.709 -3.174 1.00 0.00 N ATOM 1321 NH2 ARG A 86 9.429 -5.058 -4.469 1.00 0.00 N ATOM 0 HA ARG A 86 2.927 -4.846 -1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.455 -4.395 -4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.708 -3.033 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.819 -2.989 -2.537 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.955 -3.942 -1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.648 -5.432 -1.628 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.753 -5.924 -3.052 1.00 0.00 H new ATOM 0 HE ARG A 86 7.395 -3.767 -3.853 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.748 -7.046 -2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.302 -7.310 -3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.389 -4.121 -4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.226 -5.663 -4.666 1.00 0.00 H new ATOM 1335 N HIS A 87 1.114 -3.451 -2.899 1.00 0.00 N ATOM 1336 CA HIS A 87 -0.157 -2.926 -3.384 1.00 0.00 C ATOM 1337 C HIS A 87 -0.174 -1.407 -3.266 1.00 0.00 C ATOM 1338 O HIS A 87 0.164 -0.856 -2.219 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.333 -3.529 -2.606 1.00 0.00 C ATOM 1340 CG HIS A 87 -0.989 -3.953 -1.211 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.355 -3.291 -0.214 1.00 0.00 N flip ATOM 1342 CD2 HIS A 87 -1.302 -5.197 -0.704 1.00 0.00 C flip ATOM 1343 CE1 HIS A 87 -0.299 -4.139 0.865 1.00 0.00 C flip ATOM 1344 NE2 HIS A 87 -0.877 -5.281 0.545 1.00 0.00 N flip ATOM 0 H HIS A 87 1.526 -2.910 -2.138 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.264 -3.205 -4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.140 -2.798 -2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.713 -4.392 -3.153 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -1.814 -5.980 -1.243 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.146 -3.908 1.821 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.979 -6.091 1.157 1.00 0.00 H new ATOM 1353 N MET A 88 -0.554 -0.733 -4.346 1.00 0.00 N ATOM 1354 CA MET A 88 -0.590 0.725 -4.358 1.00 0.00 C ATOM 1355 C MET A 88 -2.019 1.252 -4.284 1.00 0.00 C ATOM 1356 O MET A 88 -2.945 0.658 -4.836 1.00 0.00 O ATOM 1357 CB MET A 88 0.095 1.256 -5.618 1.00 0.00 C ATOM 1358 CG MET A 88 -0.585 0.821 -6.905 1.00 0.00 C ATOM 1359 SD MET A 88 -0.369 2.008 -8.247 1.00 0.00 S ATOM 1360 CE MET A 88 -0.866 1.024 -9.661 1.00 0.00 C ATOM 0 H MET A 88 -0.840 -1.171 -5.222 1.00 0.00 H new ATOM 0 HA MET A 88 -0.056 1.078 -3.476 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.118 2.345 -5.578 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.130 0.916 -5.630 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.185 -0.145 -7.213 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.650 0.681 -6.718 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.162 1.181 -10.479 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.874 -0.031 -9.386 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.865 1.323 -9.979 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.183 2.379 -3.597 1.00 0.00 N ATOM 1371 CA PHE A 89 -3.489 3.006 -3.442 1.00 0.00 C ATOM 1372 C PHE A 89 -3.506 4.381 -4.103 1.00 0.00 C ATOM 1373 O PHE A 89 -2.629 5.207 -3.856 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.837 3.145 -1.958 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.696 2.034 -1.427 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.158 0.782 -1.178 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -6.040 2.246 -1.169 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -4.947 -0.239 -0.683 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -6.834 1.230 -0.675 1.00 0.00 C ATOM 1380 CZ PHE A 89 -6.287 -0.015 -0.431 1.00 0.00 C ATOM 0 H PHE A 89 -1.422 2.878 -3.137 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.231 2.372 -3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.913 3.184 -1.381 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.351 4.094 -1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.111 0.602 -1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.472 3.218 -1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.517 -1.211 -0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.881 1.408 -0.480 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.905 -0.811 -0.044 1.00 0.00 H new ATOM 1390 N SER A 90 -4.509 4.623 -4.939 1.00 0.00 N ATOM 1391 CA SER A 90 -4.635 5.903 -5.625 1.00 0.00 C ATOM 1392 C SER A 90 -5.631 6.802 -4.905 1.00 0.00 C ATOM 1393 O SER A 90 -6.813 6.480 -4.803 1.00 0.00 O ATOM 1394 CB SER A 90 -5.074 5.691 -7.075 1.00 0.00 C ATOM 1395 OG SER A 90 -4.499 4.515 -7.616 1.00 0.00 O ATOM 0 H SER A 90 -5.245 3.951 -5.158 1.00 0.00 H new ATOM 0 HA SER A 90 -3.660 6.390 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.161 5.623 -7.123 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.782 6.552 -7.676 1.00 0.00 H new ATOM 0 HG SER A 90 -4.797 4.402 -8.543 1.00 0.00 H new ATOM 1401 N PHE A 91 -5.147 7.932 -4.405 1.00 0.00 N ATOM 1402 CA PHE A 91 -5.998 8.873 -3.692 1.00 0.00 C ATOM 1403 C PHE A 91 -6.414 10.022 -4.601 1.00 0.00 C ATOM 1404 O PHE A 91 -5.760 10.301 -5.606 1.00 0.00 O ATOM 1405 CB PHE A 91 -5.272 9.417 -2.460 1.00 0.00 C ATOM 1406 CG PHE A 91 -5.009 8.375 -1.411 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -4.214 7.276 -1.692 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -5.558 8.493 -0.144 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -3.971 6.315 -0.730 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -5.319 7.535 0.822 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.524 6.444 0.529 1.00 0.00 C ATOM 0 H PHE A 91 -4.171 8.218 -4.480 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.895 8.344 -3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.324 9.855 -2.771 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.866 10.219 -2.023 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.779 7.169 -2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.180 9.344 0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.349 5.463 -0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.753 7.639 1.805 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.335 5.694 1.283 1.00 0.00 H new ATOM 1421 N ASN A 92 -7.507 10.684 -4.242 1.00 0.00 N ATOM 1422 CA ASN A 92 -8.012 11.804 -5.025 1.00 0.00 C ATOM 1423 C ASN A 92 -8.002 13.086 -4.197 1.00 0.00 C ATOM 1424 O ASN A 92 -8.847 13.963 -4.378 1.00 0.00 O ATOM 1425 CB ASN A 92 -9.428 11.506 -5.524 1.00 0.00 C ATOM 1426 CG ASN A 92 -9.452 10.412 -6.577 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -9.310 10.681 -7.769 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.634 9.170 -6.139 1.00 0.00 N ATOM 0 H ASN A 92 -8.060 10.464 -3.414 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.359 11.945 -5.886 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.052 11.209 -4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.863 12.415 -5.939 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.660 8.394 -6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.747 8.993 -5.141 1.00 0.00 H new ATOM 1435 N ASN A 93 -7.036 13.184 -3.289 1.00 0.00 N ATOM 1436 CA ASN A 93 -6.904 14.354 -2.428 1.00 0.00 C ATOM 1437 C ASN A 93 -5.620 14.275 -1.606 1.00 0.00 C ATOM 1438 O ASN A 93 -5.250 13.208 -1.117 1.00 0.00 O ATOM 1439 CB ASN A 93 -8.116 14.473 -1.501 1.00 0.00 C ATOM 1440 CG ASN A 93 -8.734 15.857 -1.534 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -8.994 16.408 -2.604 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -8.972 16.427 -0.358 1.00 0.00 N ATOM 0 H ASN A 93 -6.331 12.464 -3.130 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.857 15.240 -3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.865 13.736 -1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.814 14.237 -0.481 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.386 17.358 -0.317 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.740 15.933 0.504 1.00 0.00 H new ATOM 1449 N ARG A 94 -4.942 15.409 -1.464 1.00 0.00 N ATOM 1450 CA ARG A 94 -3.696 15.467 -0.707 1.00 0.00 C ATOM 1451 C ARG A 94 -3.936 15.195 0.775 1.00 0.00 C ATOM 1452 O ARG A 94 -3.088 14.616 1.454 1.00 0.00 O ATOM 1453 CB ARG A 94 -3.032 16.834 -0.886 1.00 0.00 C ATOM 1454 CG ARG A 94 -2.019 16.874 -2.018 1.00 0.00 C ATOM 1455 CD ARG A 94 -0.596 16.751 -1.497 1.00 0.00 C ATOM 1456 NE ARG A 94 -0.302 17.746 -0.468 1.00 0.00 N ATOM 1457 CZ ARG A 94 0.714 17.649 0.388 1.00 0.00 C ATOM 1458 NH1 ARG A 94 1.533 16.607 0.340 1.00 0.00 N ATOM 1459 NH2 ARG A 94 0.910 18.598 1.292 1.00 0.00 N ATOM 0 H ARG A 94 -5.234 16.301 -1.863 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.033 14.692 -1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.803 17.582 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.536 17.113 0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -2.222 16.064 -2.718 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.126 17.808 -2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.444 15.752 -1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.104 16.867 -2.324 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.910 18.562 -0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.387 15.875 -0.355 1.00 0.00 H new ATOM 0 HH12 ARG A 94 2.309 16.538 0.998 1.00 0.00 H new ATOM 0 HH21 ARG A 94 0.283 19.402 1.332 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.688 18.525 1.948 1.00 0.00 H new ATOM 1473 N THR A 95 -5.090 15.623 1.275 1.00 0.00 N ATOM 1474 CA THR A 95 -5.432 15.431 2.678 1.00 0.00 C ATOM 1475 C THR A 95 -5.815 13.983 2.962 1.00 0.00 C ATOM 1476 O THR A 95 -5.466 13.436 4.007 1.00 0.00 O ATOM 1477 CB THR A 95 -6.574 16.364 3.080 1.00 0.00 C ATOM 1478 OG1 THR A 95 -6.299 17.695 2.683 1.00 0.00 O ATOM 1479 CG2 THR A 95 -6.841 16.375 4.570 1.00 0.00 C ATOM 0 H THR A 95 -5.804 16.105 0.729 1.00 0.00 H new ATOM 0 HA THR A 95 -4.550 15.671 3.272 1.00 0.00 H new ATOM 0 HB THR A 95 -7.456 15.975 2.571 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.043 18.276 2.948 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.663 17.057 4.787 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.106 15.370 4.900 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.946 16.705 5.098 1.00 0.00 H new ATOM 1487 N VAL A 96 -6.532 13.365 2.031 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.952 11.979 2.195 1.00 0.00 C ATOM 1489 C VAL A 96 -5.744 11.067 2.367 1.00 0.00 C ATOM 1490 O VAL A 96 -5.689 10.258 3.294 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.782 11.492 0.993 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -8.272 10.069 1.218 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.955 12.428 0.740 1.00 0.00 C ATOM 0 H VAL A 96 -6.833 13.799 1.159 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.573 11.938 3.090 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.141 11.496 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.856 9.745 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.417 9.406 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -8.895 10.036 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.530 12.068 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.594 12.457 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.582 13.430 0.529 1.00 0.00 H new ATOM 1503 N MET A 97 -4.778 11.206 1.468 1.00 0.00 N ATOM 1504 CA MET A 97 -3.568 10.398 1.517 1.00 0.00 C ATOM 1505 C MET A 97 -2.710 10.775 2.718 1.00 0.00 C ATOM 1506 O MET A 97 -2.164 9.907 3.398 1.00 0.00 O ATOM 1507 CB MET A 97 -2.763 10.568 0.227 1.00 0.00 C ATOM 1508 CG MET A 97 -2.392 12.011 -0.075 1.00 0.00 C ATOM 1509 SD MET A 97 -0.753 12.448 0.536 1.00 0.00 S ATOM 1510 CE MET A 97 0.287 11.666 -0.695 1.00 0.00 C ATOM 0 H MET A 97 -4.810 11.872 0.696 1.00 0.00 H new ATOM 0 HA MET A 97 -3.863 9.354 1.618 1.00 0.00 H new ATOM 0 HB2 MET A 97 -1.851 9.975 0.297 1.00 0.00 H new ATOM 0 HB3 MET A 97 -3.340 10.168 -0.607 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.430 12.174 -1.152 1.00 0.00 H new ATOM 0 HG3 MET A 97 -3.132 12.674 0.374 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.318 11.991 -0.560 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.230 10.583 -0.584 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.054 11.947 -1.691 1.00 0.00 H new ATOM 1520 N ASP A 98 -2.591 12.074 2.973 1.00 0.00 N ATOM 1521 CA ASP A 98 -1.792 12.563 4.090 1.00 0.00 C ATOM 1522 C ASP A 98 -2.412 12.187 5.429 1.00 0.00 C ATOM 1523 O ASP A 98 -1.703 11.801 6.358 1.00 0.00 O ATOM 1524 CB ASP A 98 -1.628 14.081 4.000 1.00 0.00 C ATOM 1525 CG ASP A 98 -0.486 14.591 4.858 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -0.251 14.012 5.939 1.00 0.00 O ATOM 1527 OD2 ASP A 98 0.173 15.570 4.448 1.00 0.00 O ATOM 0 H ASP A 98 -3.038 12.806 2.421 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.812 12.089 4.027 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.453 14.364 2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.555 14.563 4.310 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.733 12.305 5.535 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.418 11.979 6.780 1.00 0.00 C ATOM 1534 C ASN A 99 -4.135 10.538 7.192 1.00 0.00 C ATOM 1535 O ASN A 99 -3.736 10.275 8.326 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.925 12.193 6.627 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.355 13.588 7.037 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.595 14.325 7.664 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.581 13.957 6.683 1.00 0.00 N ATOM 0 H ASN A 99 -4.344 12.621 4.782 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.042 12.642 7.560 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.211 12.018 5.590 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -6.457 11.459 7.232 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.926 14.884 6.931 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.177 13.313 6.163 1.00 0.00 H new ATOM 1546 N ILE A 100 -4.322 9.607 6.262 1.00 0.00 N ATOM 1547 CA ILE A 100 -4.058 8.205 6.538 1.00 0.00 C ATOM 1548 C ILE A 100 -2.559 7.928 6.540 1.00 0.00 C ATOM 1549 O ILE A 100 -2.067 7.145 7.351 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.758 7.270 5.535 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -6.267 7.274 5.778 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -4.194 5.860 5.629 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.020 6.331 4.870 1.00 0.00 C ATOM 0 H ILE A 100 -4.654 9.799 5.317 1.00 0.00 H new ATOM 0 HA ILE A 100 -4.467 7.998 7.527 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.571 7.637 4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.462 7.002 6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.648 8.285 5.637 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.703 5.216 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.127 5.879 5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.347 5.473 6.636 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.085 6.383 5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.854 6.616 3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.665 5.313 5.028 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.832 8.570 5.624 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.389 8.375 5.536 1.00 0.00 C ATOM 1567 C LYS A 101 0.246 8.639 6.886 1.00 0.00 C ATOM 1568 O LYS A 101 1.002 7.819 7.402 1.00 0.00 O ATOM 1569 CB LYS A 101 0.224 9.288 4.468 1.00 0.00 C ATOM 1570 CG LYS A 101 1.744 9.267 4.443 1.00 0.00 C ATOM 1571 CD LYS A 101 2.300 10.314 3.491 1.00 0.00 C ATOM 1572 CE LYS A 101 2.716 11.575 4.230 1.00 0.00 C ATOM 1573 NZ LYS A 101 3.943 12.183 3.644 1.00 0.00 N ATOM 0 H LYS A 101 -2.216 9.222 4.940 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.195 7.343 5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.151 8.989 3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.113 10.310 4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 101 2.128 9.446 5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.090 8.279 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.158 9.904 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.548 10.562 2.742 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.902 12.299 4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.893 11.339 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.194 13.041 4.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.727 11.502 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.766 12.432 2.650 1.00 0.00 H new ATOM 1587 N MET A 102 -0.096 9.777 7.461 1.00 0.00 N ATOM 1588 CA MET A 102 0.413 10.146 8.774 1.00 0.00 C ATOM 1589 C MET A 102 0.004 9.097 9.799 1.00 0.00 C ATOM 1590 O MET A 102 0.737 8.810 10.745 1.00 0.00 O ATOM 1591 CB MET A 102 -0.110 11.523 9.189 1.00 0.00 C ATOM 1592 CG MET A 102 -1.610 11.574 9.439 1.00 0.00 C ATOM 1593 SD MET A 102 -2.077 12.889 10.581 1.00 0.00 S ATOM 1594 CE MET A 102 -3.858 12.708 10.596 1.00 0.00 C ATOM 0 H MET A 102 -0.724 10.463 7.042 1.00 0.00 H new ATOM 0 HA MET A 102 1.501 10.194 8.726 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.408 11.838 10.095 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.142 12.244 8.411 1.00 0.00 H new ATOM 0 HG2 MET A 102 -2.128 11.720 8.491 1.00 0.00 H new ATOM 0 HG3 MET A 102 -1.941 10.616 9.839 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.253 13.071 11.545 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.289 13.286 9.779 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.118 11.657 10.473 1.00 0.00 H new ATOM 1604 N THR A 103 -1.175 8.523 9.588 1.00 0.00 N ATOM 1605 CA THR A 103 -1.702 7.499 10.466 1.00 0.00 C ATOM 1606 C THR A 103 -0.895 6.215 10.318 1.00 0.00 C ATOM 1607 O THR A 103 -0.404 5.661 11.299 1.00 0.00 O ATOM 1608 CB THR A 103 -3.178 7.244 10.127 1.00 0.00 C ATOM 1609 OG1 THR A 103 -4.026 8.005 10.965 1.00 0.00 O ATOM 1610 CG2 THR A 103 -3.591 5.798 10.250 1.00 0.00 C ATOM 0 H THR A 103 -1.786 8.757 8.805 1.00 0.00 H new ATOM 0 HA THR A 103 -1.626 7.836 11.500 1.00 0.00 H new ATOM 0 HB THR A 103 -3.280 7.541 9.083 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.959 7.864 10.701 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.646 5.698 9.995 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.994 5.190 9.570 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.432 5.460 11.274 1.00 0.00 H new ATOM 1618 N LEU A 104 -0.770 5.754 9.078 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.035 4.534 8.778 1.00 0.00 C ATOM 1620 C LEU A 104 1.436 4.674 9.124 1.00 0.00 C ATOM 1621 O LEU A 104 2.076 3.718 9.549 1.00 0.00 O ATOM 1622 CB LEU A 104 -0.207 4.157 7.305 1.00 0.00 C ATOM 1623 CG LEU A 104 -1.350 3.176 7.019 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.193 3.650 5.839 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.797 1.780 6.760 1.00 0.00 C ATOM 0 H LEU A 104 -1.172 6.212 8.260 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.446 3.735 9.395 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.376 5.067 6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.725 3.721 6.945 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.995 3.136 7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.997 2.937 5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.619 4.627 6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.566 3.725 4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.620 1.094 6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.128 1.807 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.246 1.438 7.636 1.00 0.00 H new ATOM 1637 N GLN A 105 1.965 5.868 8.945 1.00 0.00 N ATOM 1638 CA GLN A 105 3.358 6.130 9.243 1.00 0.00 C ATOM 1639 C GLN A 105 3.633 5.939 10.734 1.00 0.00 C ATOM 1640 O GLN A 105 4.737 5.561 11.127 1.00 0.00 O ATOM 1641 CB GLN A 105 3.702 7.549 8.793 1.00 0.00 C ATOM 1642 CG GLN A 105 4.333 8.423 9.866 1.00 0.00 C ATOM 1643 CD GLN A 105 4.881 9.724 9.313 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.405 10.806 9.656 1.00 0.00 O ATOM 1645 NE2 GLN A 105 5.886 9.624 8.452 1.00 0.00 N ATOM 0 H GLN A 105 1.449 6.674 8.593 1.00 0.00 H new ATOM 0 HA GLN A 105 3.989 5.424 8.704 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.384 7.491 7.944 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.792 8.033 8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.590 8.643 10.633 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.138 7.871 10.351 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.249 8.706 8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.295 10.465 8.046 1.00 0.00 H new ATOM 1654 N GLN A 106 2.621 6.197 11.558 1.00 0.00 N ATOM 1655 CA GLN A 106 2.758 6.046 12.997 1.00 0.00 C ATOM 1656 C GLN A 106 2.688 4.578 13.378 1.00 0.00 C ATOM 1657 O GLN A 106 3.470 4.096 14.198 1.00 0.00 O ATOM 1658 CB GLN A 106 1.672 6.836 13.729 1.00 0.00 C ATOM 1659 CG GLN A 106 2.080 8.262 14.063 1.00 0.00 C ATOM 1660 CD GLN A 106 3.166 8.326 15.119 1.00 0.00 C ATOM 1661 OE1 GLN A 106 4.419 8.301 14.681 1.00 0.00 O flip ATOM 1662 NE2 GLN A 106 2.882 8.397 16.314 1.00 0.00 N flip ATOM 0 H GLN A 106 1.700 6.511 11.251 1.00 0.00 H new ATOM 0 HA GLN A 106 3.729 6.442 13.295 1.00 0.00 H new ATOM 0 HB2 GLN A 106 0.773 6.859 13.113 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.414 6.315 14.651 1.00 0.00 H new ATOM 0 HG2 GLN A 106 2.430 8.757 13.157 1.00 0.00 H new ATOM 0 HG3 GLN A 106 1.207 8.814 14.411 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.905 8.414 16.606 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.624 8.439 17.013 1.00 0.00 H new ATOM 1671 N ILE A 107 1.758 3.869 12.757 1.00 0.00 N ATOM 1672 CA ILE A 107 1.591 2.453 13.001 1.00 0.00 C ATOM 1673 C ILE A 107 2.760 1.704 12.381 1.00 0.00 C ATOM 1674 O ILE A 107 3.355 0.822 13.000 1.00 0.00 O ATOM 1675 CB ILE A 107 0.268 1.932 12.409 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -0.788 3.045 12.380 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.229 0.734 13.208 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.213 2.545 12.289 1.00 0.00 C ATOM 0 H ILE A 107 1.106 4.259 12.077 1.00 0.00 H new ATOM 0 HA ILE A 107 1.563 2.287 14.078 1.00 0.00 H new ATOM 0 HB ILE A 107 0.447 1.612 11.382 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.685 3.652 13.279 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.589 3.698 11.530 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.165 0.374 12.780 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.516 -0.061 13.172 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.394 1.031 14.244 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.896 3.394 12.274 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -2.337 1.963 11.376 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.434 1.917 13.152 1.00 0.00 H new ATOM 1690 N ILE A 108 3.106 2.101 11.159 1.00 0.00 N ATOM 1691 CA ILE A 108 4.229 1.515 10.443 1.00 0.00 C ATOM 1692 C ILE A 108 5.497 1.716 11.254 1.00 0.00 C ATOM 1693 O ILE A 108 6.352 0.834 11.335 1.00 0.00 O ATOM 1694 CB ILE A 108 4.383 2.151 9.041 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.244 1.692 8.124 1.00 0.00 C ATOM 1696 CG2 ILE A 108 5.737 1.820 8.425 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.419 0.287 7.588 1.00 0.00 C ATOM 0 H ILE A 108 2.618 2.833 10.643 1.00 0.00 H new ATOM 0 HA ILE A 108 4.046 0.449 10.308 1.00 0.00 H new ATOM 0 HB ILE A 108 4.330 3.234 9.154 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.304 1.747 8.673 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.164 2.383 7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.812 2.282 7.441 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.532 2.201 9.066 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.838 0.739 8.327 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.574 0.034 6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.342 0.230 7.010 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.468 -0.416 8.419 1.00 0.00 H new ATOM 1709 N SER A 109 5.583 2.876 11.886 1.00 0.00 N ATOM 1710 CA SER A 109 6.714 3.200 12.737 1.00 0.00 C ATOM 1711 C SER A 109 6.628 2.365 14.006 1.00 0.00 C ATOM 1712 O SER A 109 7.640 1.924 14.551 1.00 0.00 O ATOM 1713 CB SER A 109 6.723 4.690 13.081 1.00 0.00 C ATOM 1714 OG SER A 109 7.421 5.437 12.100 1.00 0.00 O ATOM 0 H SER A 109 4.879 3.611 11.824 1.00 0.00 H new ATOM 0 HA SER A 109 7.640 2.974 12.209 1.00 0.00 H new ATOM 0 HB2 SER A 109 5.699 5.054 13.159 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.189 4.838 14.055 1.00 0.00 H new ATOM 0 HG SER A 109 6.791 5.750 11.418 1.00 0.00 H new ATOM 1720 N ARG A 110 5.396 2.145 14.458 1.00 0.00 N ATOM 1721 CA ARG A 110 5.135 1.357 15.647 1.00 0.00 C ATOM 1722 C ARG A 110 5.545 -0.094 15.416 1.00 0.00 C ATOM 1723 O ARG A 110 6.260 -0.687 16.224 1.00 0.00 O ATOM 1724 CB ARG A 110 3.643 1.479 15.996 1.00 0.00 C ATOM 1725 CG ARG A 110 2.911 0.165 16.229 1.00 0.00 C ATOM 1726 CD ARG A 110 3.136 -0.367 17.635 1.00 0.00 C ATOM 1727 NE ARG A 110 4.524 -0.216 18.070 1.00 0.00 N ATOM 1728 CZ ARG A 110 4.980 0.825 18.765 1.00 0.00 C ATOM 1729 NH1 ARG A 110 4.168 1.820 19.104 1.00 0.00 N ATOM 1730 NH2 ARG A 110 6.256 0.873 19.122 1.00 0.00 N ATOM 0 H ARG A 110 4.556 2.509 14.008 1.00 0.00 H new ATOM 0 HA ARG A 110 5.724 1.727 16.486 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.547 2.091 16.893 1.00 0.00 H new ATOM 0 HB3 ARG A 110 3.142 2.015 15.189 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.844 0.309 16.062 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.250 -0.573 15.503 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.481 0.159 18.329 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.859 -1.421 17.671 1.00 0.00 H new ATOM 0 HE ARG A 110 5.184 -0.954 17.826 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.185 1.792 18.832 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.527 2.613 19.636 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.887 0.114 18.864 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.607 1.669 19.654 1.00 0.00 H new ATOM 1744 N TYR A 111 5.089 -0.656 14.301 1.00 0.00 N ATOM 1745 CA TYR A 111 5.413 -2.038 13.960 1.00 0.00 C ATOM 1746 C TYR A 111 6.900 -2.185 13.653 1.00 0.00 C ATOM 1747 O TYR A 111 7.469 -3.266 13.797 1.00 0.00 O ATOM 1748 CB TYR A 111 4.580 -2.506 12.765 1.00 0.00 C ATOM 1749 CG TYR A 111 3.193 -2.969 13.143 1.00 0.00 C ATOM 1750 CD1 TYR A 111 2.957 -4.286 13.512 1.00 0.00 C ATOM 1751 CD2 TYR A 111 2.119 -2.088 13.133 1.00 0.00 C ATOM 1752 CE1 TYR A 111 1.691 -4.714 13.860 1.00 0.00 C ATOM 1753 CE2 TYR A 111 0.850 -2.507 13.481 1.00 0.00 C ATOM 1754 CZ TYR A 111 0.641 -3.820 13.843 1.00 0.00 C ATOM 1755 OH TYR A 111 -0.620 -4.243 14.188 1.00 0.00 O ATOM 0 H TYR A 111 4.497 -0.179 13.621 1.00 0.00 H new ATOM 0 HA TYR A 111 5.174 -2.663 14.820 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.499 -1.690 12.047 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.103 -3.321 12.264 1.00 0.00 H new ATOM 0 HD1 TYR A 111 3.778 -4.988 13.527 1.00 0.00 H new ATOM 0 HD2 TYR A 111 2.279 -1.059 12.848 1.00 0.00 H new ATOM 0 HE1 TYR A 111 1.524 -5.743 14.144 1.00 0.00 H new ATOM 0 HE2 TYR A 111 0.026 -1.809 13.469 1.00 0.00 H new ATOM 0 HH TYR A 111 -0.562 -5.112 14.638 1.00 0.00 H new ATOM 1765 N LYS A 112 7.524 -1.089 13.233 1.00 0.00 N ATOM 1766 CA LYS A 112 8.946 -1.095 12.911 1.00 0.00 C ATOM 1767 C LYS A 112 9.788 -0.994 14.179 1.00 0.00 C ATOM 1768 O LYS A 112 10.907 -1.503 14.234 1.00 0.00 O ATOM 1769 CB LYS A 112 9.282 0.061 11.967 1.00 0.00 C ATOM 1770 CG LYS A 112 8.844 -0.179 10.531 1.00 0.00 C ATOM 1771 CD LYS A 112 10.015 -0.584 9.651 1.00 0.00 C ATOM 1772 CE LYS A 112 9.645 -0.543 8.177 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.756 -0.013 7.339 1.00 0.00 N ATOM 0 H LYS A 112 7.067 -0.186 13.108 1.00 0.00 H new ATOM 0 HA LYS A 112 9.178 -2.037 12.415 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.807 0.970 12.336 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.358 0.233 11.986 1.00 0.00 H new ATOM 0 HG2 LYS A 112 8.083 -0.959 10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.385 0.726 10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.857 0.083 9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.341 -1.589 9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.384 -1.546 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.760 0.079 8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.463 -0.001 6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.989 0.954 7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.593 -0.621 7.447 1.00 0.00 H new ATOM 1787 N ASP A 113 9.243 -0.333 15.196 1.00 0.00 N ATOM 1788 CA ASP A 113 9.946 -0.167 16.463 1.00 0.00 C ATOM 1789 C ASP A 113 9.704 -1.361 17.380 1.00 0.00 C ATOM 1790 O ASP A 113 10.568 -1.732 18.175 1.00 0.00 O ATOM 1791 CB ASP A 113 9.497 1.122 17.155 1.00 0.00 C ATOM 1792 CG ASP A 113 10.519 1.628 18.153 1.00 0.00 C ATOM 1793 OD1 ASP A 113 11.731 1.500 17.879 1.00 0.00 O ATOM 1794 OD2 ASP A 113 10.108 2.153 19.209 1.00 0.00 O ATOM 0 H ASP A 113 8.318 0.096 15.167 1.00 0.00 H new ATOM 0 HA ASP A 113 11.014 -0.105 16.252 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.316 1.890 16.404 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.550 0.946 17.666 1.00 0.00 H new ATOM 1799 N ALA A 114 8.522 -1.959 17.265 1.00 0.00 N ATOM 1800 CA ALA A 114 8.166 -3.111 18.083 1.00 0.00 C ATOM 1801 C ALA A 114 9.106 -4.283 17.820 1.00 0.00 C ATOM 1802 O ALA A 114 9.455 -5.029 18.736 1.00 0.00 O ATOM 1803 CB ALA A 114 6.724 -3.519 17.820 1.00 0.00 C ATOM 0 H ALA A 114 7.795 -1.664 16.613 1.00 0.00 H new ATOM 0 HA ALA A 114 8.267 -2.827 19.131 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.471 -4.381 18.438 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.061 -2.690 18.065 1.00 0.00 H new ATOM 0 HB3 ALA A 114 6.606 -3.779 16.768 1.00 0.00 H new ATOM 1809 N ASP A 115 9.512 -4.439 16.565 1.00 0.00 N ATOM 1810 CA ASP A 115 10.412 -5.521 16.182 1.00 0.00 C ATOM 1811 C ASP A 115 11.738 -5.416 16.929 1.00 0.00 C ATOM 1812 O ASP A 115 12.243 -6.462 17.388 1.00 0.00 O ATOM 1813 CB ASP A 115 10.661 -5.496 14.673 1.00 0.00 C ATOM 1814 CG ASP A 115 10.802 -6.887 14.086 1.00 0.00 C ATOM 1815 OD1 ASP A 115 9.947 -7.746 14.385 1.00 0.00 O ATOM 1816 OD2 ASP A 115 11.769 -7.116 13.330 1.00 0.00 O ATOM 1817 OXT ASP A 115 12.261 -4.288 17.048 1.00 0.00 O ATOM 0 H ASP A 115 9.233 -3.830 15.796 1.00 0.00 H new ATOM 0 HA ASP A 115 9.938 -6.465 16.450 1.00 0.00 H new ATOM 0 HB2 ASP A 115 9.838 -4.979 14.180 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.566 -4.924 14.466 1.00 0.00 H new ATOM 2088 N PHE B 475 4.654 1.053 -11.545 1.00 0.00 N ATOM 2089 CA PHE B 475 4.277 1.931 -10.450 1.00 0.00 C ATOM 2090 C PHE B 475 5.242 1.767 -9.290 1.00 0.00 C ATOM 2091 O PHE B 475 5.530 2.725 -8.574 1.00 0.00 O ATOM 2092 CB PHE B 475 2.815 1.703 -10.010 1.00 0.00 C ATOM 2093 CG PHE B 475 2.559 0.511 -9.113 1.00 0.00 C ATOM 2094 CD1 PHE B 475 3.221 0.340 -7.902 1.00 0.00 C ATOM 2095 CD2 PHE B 475 1.620 -0.432 -9.486 1.00 0.00 C ATOM 2096 CE1 PHE B 475 2.949 -0.749 -7.096 1.00 0.00 C ATOM 2097 CE2 PHE B 475 1.347 -1.522 -8.686 1.00 0.00 C ATOM 2098 CZ PHE B 475 2.012 -1.682 -7.490 1.00 0.00 C ATOM 0 HA PHE B 475 4.339 2.960 -10.804 1.00 0.00 H new ATOM 0 HB2 PHE B 475 2.470 2.599 -9.494 1.00 0.00 H new ATOM 0 HB3 PHE B 475 2.202 1.595 -10.905 1.00 0.00 H new ATOM 0 HD1 PHE B 475 3.956 1.066 -7.588 1.00 0.00 H new ATOM 0 HD2 PHE B 475 1.091 -0.313 -10.420 1.00 0.00 H new ATOM 0 HE1 PHE B 475 3.470 -0.870 -6.158 1.00 0.00 H new ATOM 0 HE2 PHE B 475 0.612 -2.250 -8.997 1.00 0.00 H new ATOM 0 HZ PHE B 475 1.800 -2.535 -6.863 1.00 0.00 H new ATOM 2108 N GLU B 476 5.744 0.548 -9.108 1.00 0.00 N ATOM 2109 CA GLU B 476 6.676 0.275 -8.025 1.00 0.00 C ATOM 2110 C GLU B 476 7.920 1.140 -8.131 1.00 0.00 C ATOM 2111 O GLU B 476 8.501 1.525 -7.117 1.00 0.00 O ATOM 2112 CB GLU B 476 7.054 -1.197 -7.987 1.00 0.00 C ATOM 2113 CG GLU B 476 5.853 -2.125 -7.973 1.00 0.00 C ATOM 2114 CD GLU B 476 6.238 -3.576 -7.760 1.00 0.00 C ATOM 2115 OE1 GLU B 476 7.109 -3.840 -6.905 1.00 0.00 O ATOM 2116 OE2 GLU B 476 5.669 -4.449 -8.449 1.00 0.00 O ATOM 0 H GLU B 476 5.522 -0.258 -9.692 1.00 0.00 H new ATOM 0 HA GLU B 476 6.171 0.525 -7.092 1.00 0.00 H new ATOM 0 HB2 GLU B 476 7.673 -1.428 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU B 476 7.661 -1.386 -7.102 1.00 0.00 H new ATOM 0 HG2 GLU B 476 5.169 -1.815 -7.183 1.00 0.00 H new ATOM 0 HG3 GLU B 476 5.315 -2.031 -8.916 1.00 0.00 H new ATOM 2123 N GLN B 477 8.319 1.469 -9.353 1.00 0.00 N ATOM 2124 CA GLN B 477 9.490 2.319 -9.548 1.00 0.00 C ATOM 2125 C GLN B 477 9.266 3.649 -8.854 1.00 0.00 C ATOM 2126 O GLN B 477 10.080 4.079 -8.037 1.00 0.00 O ATOM 2127 CB GLN B 477 9.776 2.528 -11.037 1.00 0.00 C ATOM 2128 CG GLN B 477 10.533 1.377 -11.679 1.00 0.00 C ATOM 2129 CD GLN B 477 11.569 1.848 -12.680 1.00 0.00 C ATOM 2130 OE1 GLN B 477 11.302 1.920 -13.880 1.00 0.00 O ATOM 2131 NE2 GLN B 477 12.761 2.172 -12.191 1.00 0.00 N ATOM 0 H GLN B 477 7.859 1.167 -10.212 1.00 0.00 H new ATOM 0 HA GLN B 477 10.360 1.827 -9.113 1.00 0.00 H new ATOM 0 HB2 GLN B 477 8.832 2.669 -11.563 1.00 0.00 H new ATOM 0 HB3 GLN B 477 10.351 3.445 -11.163 1.00 0.00 H new ATOM 0 HG2 GLN B 477 11.024 0.791 -10.902 1.00 0.00 H new ATOM 0 HG3 GLN B 477 9.825 0.715 -12.178 1.00 0.00 H new ATOM 0 HE21 GLN B 477 12.939 2.097 -11.189 1.00 0.00 H new ATOM 0 HE22 GLN B 477 13.498 2.496 -12.817 1.00 0.00 H new ATOM 2140 N MET B 478 8.128 4.267 -9.133 1.00 0.00 N ATOM 2141 CA MET B 478 7.778 5.509 -8.474 1.00 0.00 C ATOM 2142 C MET B 478 7.393 5.190 -7.034 1.00 0.00 C ATOM 2143 O MET B 478 7.382 6.061 -6.164 1.00 0.00 O ATOM 2144 CB MET B 478 6.618 6.198 -9.195 1.00 0.00 C ATOM 2145 CG MET B 478 7.064 7.225 -10.223 1.00 0.00 C ATOM 2146 SD MET B 478 5.720 8.303 -10.757 1.00 0.00 S ATOM 2147 CE MET B 478 5.136 8.925 -9.182 1.00 0.00 C ATOM 0 H MET B 478 7.439 3.930 -9.805 1.00 0.00 H new ATOM 0 HA MET B 478 8.629 6.190 -8.494 1.00 0.00 H new ATOM 0 HB2 MET B 478 6.009 5.442 -9.690 1.00 0.00 H new ATOM 0 HB3 MET B 478 5.982 6.687 -8.457 1.00 0.00 H new ATOM 0 HG2 MET B 478 7.865 7.832 -9.801 1.00 0.00 H new ATOM 0 HG3 MET B 478 7.477 6.710 -11.090 1.00 0.00 H new ATOM 0 HE1 MET B 478 4.695 9.912 -9.322 1.00 0.00 H new ATOM 0 HE2 MET B 478 4.385 8.246 -8.778 1.00 0.00 H new ATOM 0 HE3 MET B 478 5.972 8.996 -8.486 1.00 0.00 H new ATOM 2157 N PHE B 479 7.075 3.913 -6.806 1.00 0.00 N ATOM 2158 CA PHE B 479 6.682 3.427 -5.496 1.00 0.00 C ATOM 2159 C PHE B 479 7.841 2.755 -4.765 1.00 0.00 C ATOM 2160 O PHE B 479 7.622 1.933 -3.876 1.00 0.00 O ATOM 2161 CB PHE B 479 5.524 2.445 -5.635 1.00 0.00 C ATOM 2162 CG PHE B 479 4.189 3.104 -5.476 1.00 0.00 C ATOM 2163 CD1 PHE B 479 3.797 3.593 -4.246 1.00 0.00 C ATOM 2164 CD2 PHE B 479 3.331 3.241 -6.554 1.00 0.00 C ATOM 2165 CE1 PHE B 479 2.574 4.206 -4.089 1.00 0.00 C ATOM 2166 CE2 PHE B 479 2.103 3.854 -6.403 1.00 0.00 C ATOM 2167 CZ PHE B 479 1.725 4.338 -5.167 1.00 0.00 C ATOM 0 H PHE B 479 7.085 3.193 -7.529 1.00 0.00 H new ATOM 0 HA PHE B 479 6.371 4.288 -4.905 1.00 0.00 H new ATOM 0 HB2 PHE B 479 5.574 1.965 -6.613 1.00 0.00 H new ATOM 0 HB3 PHE B 479 5.628 1.658 -4.888 1.00 0.00 H new ATOM 0 HD1 PHE B 479 4.457 3.494 -3.397 1.00 0.00 H new ATOM 0 HD2 PHE B 479 3.625 2.865 -7.523 1.00 0.00 H new ATOM 0 HE1 PHE B 479 2.280 4.584 -3.121 1.00 0.00 H new ATOM 0 HE2 PHE B 479 1.440 3.954 -7.250 1.00 0.00 H new ATOM 0 HZ PHE B 479 0.766 4.819 -5.045 1.00 0.00 H new ATOM 2177 N THR B 480 9.071 3.110 -5.124 1.00 0.00 N ATOM 2178 CA THR B 480 10.233 2.535 -4.474 1.00 0.00 C ATOM 2179 C THR B 480 11.056 3.635 -3.812 1.00 0.00 C ATOM 2180 O THR B 480 11.768 4.387 -4.478 1.00 0.00 O ATOM 2181 CB THR B 480 11.088 1.759 -5.482 1.00 0.00 C ATOM 2182 OG1 THR B 480 10.408 0.600 -5.927 1.00 0.00 O ATOM 2183 CG2 THR B 480 12.425 1.315 -4.926 1.00 0.00 C ATOM 0 H THR B 480 9.283 3.788 -5.856 1.00 0.00 H new ATOM 0 HA THR B 480 9.895 1.837 -3.708 1.00 0.00 H new ATOM 0 HB THR B 480 11.267 2.457 -6.300 1.00 0.00 H new ATOM 0 HG1 THR B 480 9.926 0.802 -6.756 1.00 0.00 H new ATOM 0 HG21 THR B 480 12.976 0.772 -5.694 1.00 0.00 H new ATOM 0 HG22 THR B 480 12.999 2.189 -4.617 1.00 0.00 H new ATOM 0 HG23 THR B 480 12.264 0.664 -4.067 1.00 0.00 H new ATOM 2191 N ASP B 481 10.936 3.715 -2.486 1.00 0.00 N ATOM 2192 CA ASP B 481 11.643 4.712 -1.690 1.00 0.00 C ATOM 2193 C ASP B 481 11.642 6.081 -2.371 1.00 0.00 C ATOM 2194 O ASP B 481 12.549 6.410 -3.135 1.00 0.00 O ATOM 2195 CB ASP B 481 13.073 4.247 -1.418 1.00 0.00 C ATOM 2196 CG ASP B 481 13.901 4.132 -2.683 1.00 0.00 C ATOM 2197 OD1 ASP B 481 13.803 3.090 -3.364 1.00 0.00 O ATOM 2198 OD2 ASP B 481 14.648 5.084 -2.993 1.00 0.00 O ATOM 0 H ASP B 481 10.346 3.090 -1.937 1.00 0.00 H new ATOM 0 HA ASP B 481 11.117 4.820 -0.741 1.00 0.00 H new ATOM 0 HB2 ASP B 481 13.555 4.947 -0.736 1.00 0.00 H new ATOM 0 HB3 ASP B 481 13.047 3.280 -0.916 1.00 0.00 H new ATOM 2203 N ALA B 482 10.613 6.872 -2.086 1.00 0.00 N ATOM 2204 CA ALA B 482 10.487 8.203 -2.667 1.00 0.00 C ATOM 2205 C ALA B 482 10.682 9.284 -1.609 1.00 0.00 C ATOM 2206 O ALA B 482 11.186 10.369 -1.901 1.00 0.00 O ATOM 2207 CB ALA B 482 9.130 8.358 -3.337 1.00 0.00 C ATOM 0 H ALA B 482 9.854 6.614 -1.456 1.00 0.00 H new ATOM 0 HA ALA B 482 11.268 8.321 -3.418 1.00 0.00 H new ATOM 0 HB1 ALA B 482 9.048 9.356 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA B 482 9.027 7.613 -4.126 1.00 0.00 H new ATOM 0 HB3 ALA B 482 8.341 8.216 -2.598 1.00 0.00 H new