USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 607 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 32 ASN : amide:sc= -1.13 X(o=-1.9,f=-2.1) USER MOD Set 1.2: A 69 MET CE :methyl -156:sc= -0.818 (180deg=-0.937) USER MOD Set 2.1: A 8 SER OG : rot -99:sc= 1.21 USER MOD Set 2.2: A 16 ASN : amide:sc= -0.0761 K(o=1.1,f=-4.9!) USER MOD Set 3.1: A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 22 ASN : amide:sc= -1.67 K(o=-1.5,f=-3.8) USER MOD Set 3.3: A 24 SER OG : rot 90:sc= 0.209 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.121 (180deg=-0.894) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 11 HIS : no HD1:sc= -0.065 X(o=-0.065,f=-0.065) USER MOD Single : A 13 ASN : amide:sc= -0.278 K(o=-0.28,f=-1.8) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0298 X(o=-0.03,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 16:sc= 0.467 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -140:sc= -0.881 USER MOD Single : A 49 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.61) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 29:sc= 0.224 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0.033) USER MOD Single : A 70 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.049) USER MOD Single : A 73 SER OG : rot -46:sc= 0.0614 USER MOD Single : A 77 ASN :FLIP amide:sc= -0.0861 F(o=-0.99,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 2.943 -1.262 -1.357 1.00 5.33 C ATOM 4 O MET A 1 2.812 -2.027 -2.312 1.00 62.11 O ATOM 5 CB MET A 1 2.986 1.239 -1.318 1.00 15.42 C ATOM 6 CG MET A 1 2.215 2.548 -1.250 1.00 70.00 C ATOM 7 SD MET A 1 1.497 3.014 -2.837 1.00 13.02 S ATOM 8 CE MET A 1 0.487 4.412 -2.354 1.00 2.52 C ATOM 0 H1 MET A 1 0.474 0.580 -0.119 1.00 0.00 H new ATOM 0 H2 MET A 1 1.056 -0.974 0.241 1.00 0.00 H new ATOM 0 H3 MET A 1 1.911 0.395 0.766 1.00 0.00 H new ATOM 0 HA MET A 1 1.388 0.017 -2.073 1.00 52.33 H new ATOM 0 HB2 MET A 1 3.707 1.208 -0.501 1.00 15.42 H new ATOM 0 HB3 MET A 1 3.556 1.210 -2.247 1.00 15.42 H new ATOM 0 HG2 MET A 1 1.421 2.460 -0.508 1.00 70.00 H new ATOM 0 HG3 MET A 1 2.882 3.341 -0.910 1.00 70.00 H new ATOM 0 HE1 MET A 1 -0.023 4.812 -3.230 1.00 2.52 H new ATOM 0 HE2 MET A 1 -0.251 4.091 -1.619 1.00 2.52 H new ATOM 0 HE3 MET A 1 1.120 5.185 -1.918 1.00 2.52 H new ATOM 18 N LYS A 2 3.816 -1.472 -0.377 1.00 61.22 N ATOM 19 CA LYS A 2 4.688 -2.641 -0.367 1.00 2.33 C ATOM 20 C LYS A 2 3.943 -3.871 0.140 1.00 71.30 C ATOM 21 O LYS A 2 3.970 -4.178 1.332 1.00 74.41 O ATOM 22 CB LYS A 2 5.916 -2.379 0.509 1.00 51.54 C ATOM 23 CG LYS A 2 7.019 -1.616 -0.204 1.00 43.10 C ATOM 24 CD LYS A 2 6.700 -0.133 -0.300 1.00 70.45 C ATOM 25 CE LYS A 2 7.966 0.704 -0.397 1.00 12.35 C ATOM 26 NZ LYS A 2 7.702 2.142 -0.112 1.00 3.10 N ATOM 0 H LYS A 2 3.938 -0.848 0.420 1.00 61.22 H new ATOM 0 HA LYS A 2 5.012 -2.830 -1.390 1.00 2.33 H new ATOM 0 HB2 LYS A 2 5.609 -1.818 1.392 1.00 51.54 H new ATOM 0 HB3 LYS A 2 6.312 -3.332 0.859 1.00 51.54 H new ATOM 0 HG2 LYS A 2 7.960 -1.753 0.329 1.00 43.10 H new ATOM 0 HG3 LYS A 2 7.157 -2.025 -1.205 1.00 43.10 H new ATOM 0 HD2 LYS A 2 6.074 0.050 -1.173 1.00 70.45 H new ATOM 0 HD3 LYS A 2 6.126 0.174 0.574 1.00 70.45 H new ATOM 0 HE2 LYS A 2 8.707 0.324 0.306 1.00 12.35 H new ATOM 0 HE3 LYS A 2 8.392 0.604 -1.395 1.00 12.35 H new ATOM 0 HZ1 LYS A 2 8.589 2.680 -0.188 1.00 3.10 H new ATOM 0 HZ2 LYS A 2 7.014 2.511 -0.798 1.00 3.10 H new ATOM 0 HZ3 LYS A 2 7.319 2.241 0.850 1.00 3.10 H new ATOM 40 N PHE A 3 3.280 -4.573 -0.773 1.00 33.21 N ATOM 41 CA PHE A 3 2.527 -5.771 -0.418 1.00 65.12 C ATOM 42 C PHE A 3 2.563 -6.792 -1.552 1.00 44.41 C ATOM 43 O PHE A 3 1.865 -6.645 -2.556 1.00 1.24 O ATOM 44 CB PHE A 3 1.078 -5.410 -0.088 1.00 52.41 C ATOM 45 CG PHE A 3 0.284 -6.559 0.464 1.00 60.24 C ATOM 46 CD1 PHE A 3 0.711 -7.232 1.597 1.00 70.41 C ATOM 47 CD2 PHE A 3 -0.889 -6.966 -0.151 1.00 32.42 C ATOM 48 CE1 PHE A 3 -0.017 -8.291 2.106 1.00 32.10 C ATOM 49 CE2 PHE A 3 -1.622 -8.024 0.354 1.00 21.21 C ATOM 50 CZ PHE A 3 -1.186 -8.687 1.485 1.00 44.44 C ATOM 0 H PHE A 3 3.249 -4.333 -1.764 1.00 33.21 H new ATOM 0 HA PHE A 3 2.993 -6.215 0.462 1.00 65.12 H new ATOM 0 HB2 PHE A 3 1.071 -4.594 0.634 1.00 52.41 H new ATOM 0 HB3 PHE A 3 0.589 -5.041 -0.990 1.00 52.41 H new ATOM 0 HD1 PHE A 3 1.623 -6.926 2.088 1.00 70.41 H new ATOM 0 HD2 PHE A 3 -1.235 -6.451 -1.035 1.00 32.42 H new ATOM 0 HE1 PHE A 3 0.328 -8.809 2.989 1.00 32.10 H new ATOM 0 HE2 PHE A 3 -2.534 -8.332 -0.135 1.00 21.21 H new ATOM 0 HZ PHE A 3 -1.757 -9.513 1.883 1.00 44.44 H new ATOM 60 N ILE A 4 3.382 -7.824 -1.385 1.00 23.55 N ATOM 61 CA ILE A 4 3.509 -8.869 -2.393 1.00 23.42 C ATOM 62 C ILE A 4 3.439 -10.255 -1.760 1.00 61.13 C ATOM 63 O ILE A 4 3.770 -10.432 -0.588 1.00 31.34 O ATOM 64 CB ILE A 4 4.830 -8.740 -3.174 1.00 62.30 C ATOM 65 CG1 ILE A 4 5.037 -7.296 -3.633 1.00 44.52 C ATOM 66 CG2 ILE A 4 4.836 -9.686 -4.365 1.00 74.44 C ATOM 67 CD1 ILE A 4 3.987 -6.815 -4.610 1.00 33.33 C ATOM 0 H ILE A 4 3.968 -7.959 -0.561 1.00 23.55 H new ATOM 0 HA ILE A 4 2.675 -8.745 -3.083 1.00 23.42 H new ATOM 0 HB ILE A 4 5.653 -9.013 -2.514 1.00 62.30 H new ATOM 0 HG12 ILE A 4 5.036 -6.643 -2.761 1.00 44.52 H new ATOM 0 HG13 ILE A 4 6.020 -7.208 -4.096 1.00 44.52 H new ATOM 0 HG21 ILE A 4 5.776 -9.583 -4.907 1.00 74.44 H new ATOM 0 HG22 ILE A 4 4.730 -10.713 -4.015 1.00 74.44 H new ATOM 0 HG23 ILE A 4 4.006 -9.441 -5.028 1.00 74.44 H new ATOM 0 HD11 ILE A 4 4.198 -5.783 -4.892 1.00 33.33 H new ATOM 0 HD12 ILE A 4 4.002 -7.444 -5.500 1.00 33.33 H new ATOM 0 HD13 ILE A 4 3.003 -6.870 -4.143 1.00 33.33 H new ATOM 79 N LYS A 5 3.008 -11.237 -2.545 1.00 54.52 N ATOM 80 CA LYS A 5 2.896 -12.609 -2.065 1.00 5.44 C ATOM 81 C LYS A 5 4.274 -13.250 -1.927 1.00 75.21 C ATOM 82 O LYS A 5 5.277 -12.689 -2.368 1.00 60.51 O ATOM 83 CB LYS A 5 2.030 -13.436 -3.017 1.00 14.33 C ATOM 84 CG LYS A 5 2.744 -13.839 -4.295 1.00 2.31 C ATOM 85 CD LYS A 5 1.765 -14.316 -5.354 1.00 42.25 C ATOM 86 CE LYS A 5 2.227 -13.934 -6.752 1.00 62.45 C ATOM 87 NZ LYS A 5 1.244 -14.345 -7.793 1.00 1.01 N ATOM 0 H LYS A 5 2.730 -11.107 -3.518 1.00 54.52 H new ATOM 0 HA LYS A 5 2.424 -12.587 -1.083 1.00 5.44 H new ATOM 0 HB2 LYS A 5 1.693 -14.335 -2.500 1.00 14.33 H new ATOM 0 HB3 LYS A 5 1.139 -12.863 -3.274 1.00 14.33 H new ATOM 0 HG2 LYS A 5 3.312 -12.991 -4.679 1.00 2.31 H new ATOM 0 HG3 LYS A 5 3.461 -14.631 -4.078 1.00 2.31 H new ATOM 0 HD2 LYS A 5 1.656 -15.399 -5.289 1.00 42.25 H new ATOM 0 HD3 LYS A 5 0.782 -13.884 -5.164 1.00 42.25 H new ATOM 0 HE2 LYS A 5 2.380 -12.856 -6.802 1.00 62.45 H new ATOM 0 HE3 LYS A 5 3.190 -14.402 -6.957 1.00 62.45 H new ATOM 0 HZ1 LYS A 5 1.595 -14.067 -8.731 1.00 1.01 H new ATOM 0 HZ2 LYS A 5 1.117 -15.377 -7.763 1.00 1.01 H new ATOM 0 HZ3 LYS A 5 0.332 -13.879 -7.613 1.00 1.01 H new ATOM 101 N TYR A 6 4.314 -14.428 -1.315 1.00 33.15 N ATOM 102 CA TYR A 6 5.568 -15.145 -1.119 1.00 31.35 C ATOM 103 C TYR A 6 6.015 -15.825 -2.409 1.00 54.45 C ATOM 104 O TYR A 6 5.215 -16.039 -3.321 1.00 53.14 O ATOM 105 CB TYR A 6 5.417 -16.186 -0.008 1.00 15.24 C ATOM 106 CG TYR A 6 5.118 -15.585 1.348 1.00 60.53 C ATOM 107 CD1 TYR A 6 6.070 -14.830 2.020 1.00 45.21 C ATOM 108 CD2 TYR A 6 3.883 -15.773 1.955 1.00 34.44 C ATOM 109 CE1 TYR A 6 5.802 -14.280 3.259 1.00 61.24 C ATOM 110 CE2 TYR A 6 3.605 -15.226 3.193 1.00 31.32 C ATOM 111 CZ TYR A 6 4.568 -14.481 3.841 1.00 70.10 C ATOM 112 OH TYR A 6 4.296 -13.934 5.074 1.00 23.11 O ATOM 0 H TYR A 6 3.492 -14.907 -0.946 1.00 33.15 H new ATOM 0 HA TYR A 6 6.329 -14.420 -0.829 1.00 31.35 H new ATOM 0 HB2 TYR A 6 4.617 -16.876 -0.275 1.00 15.24 H new ATOM 0 HB3 TYR A 6 6.334 -16.771 0.057 1.00 15.24 H new ATOM 0 HD1 TYR A 6 7.037 -14.670 1.566 1.00 45.21 H new ATOM 0 HD2 TYR A 6 3.127 -16.357 1.451 1.00 34.44 H new ATOM 0 HE1 TYR A 6 6.554 -13.696 3.769 1.00 61.24 H new ATOM 0 HE2 TYR A 6 2.639 -15.381 3.651 1.00 31.32 H new ATOM 0 HH TYR A 6 3.383 -14.169 5.342 1.00 23.11 H new ATOM 122 N LEU A 7 7.298 -16.162 -2.479 1.00 54.34 N ATOM 123 CA LEU A 7 7.853 -16.818 -3.658 1.00 21.01 C ATOM 124 C LEU A 7 8.372 -18.210 -3.312 1.00 74.32 C ATOM 125 O LEU A 7 9.580 -18.440 -3.268 1.00 61.32 O ATOM 126 CB LEU A 7 8.982 -15.974 -4.251 1.00 42.34 C ATOM 127 CG LEU A 7 8.777 -14.459 -4.217 1.00 0.14 C ATOM 128 CD1 LEU A 7 9.960 -13.745 -4.852 1.00 23.23 C ATOM 129 CD2 LEU A 7 7.483 -14.080 -4.921 1.00 15.30 C ATOM 0 H LEU A 7 7.973 -15.992 -1.734 1.00 54.34 H new ATOM 0 HA LEU A 7 7.057 -16.919 -4.396 1.00 21.01 H new ATOM 0 HB2 LEU A 7 9.903 -16.208 -3.716 1.00 42.34 H new ATOM 0 HB3 LEU A 7 9.129 -16.277 -5.288 1.00 42.34 H new ATOM 0 HG LEU A 7 8.706 -14.145 -3.176 1.00 0.14 H new ATOM 0 HD11 LEU A 7 9.796 -12.668 -4.818 1.00 23.23 H new ATOM 0 HD12 LEU A 7 10.870 -13.991 -4.304 1.00 23.23 H new ATOM 0 HD13 LEU A 7 10.064 -14.064 -5.889 1.00 23.23 H new ATOM 0 HD21 LEU A 7 7.354 -12.998 -4.887 1.00 15.30 H new ATOM 0 HD22 LEU A 7 7.524 -14.408 -5.960 1.00 15.30 H new ATOM 0 HD23 LEU A 7 6.642 -14.562 -4.422 1.00 15.30 H new ATOM 141 N SER A 8 7.449 -19.136 -3.070 1.00 24.24 N ATOM 142 CA SER A 8 7.813 -20.506 -2.726 1.00 42.05 C ATOM 143 C SER A 8 6.737 -21.485 -3.185 1.00 33.11 C ATOM 144 O SER A 8 5.624 -21.087 -3.530 1.00 13.40 O ATOM 145 CB SER A 8 8.028 -20.636 -1.217 1.00 72.23 C ATOM 146 OG SER A 8 6.803 -20.881 -0.547 1.00 64.54 O ATOM 0 H SER A 8 6.444 -18.963 -3.106 1.00 24.24 H new ATOM 0 HA SER A 8 8.743 -20.749 -3.240 1.00 42.05 H new ATOM 0 HB2 SER A 8 8.726 -21.448 -1.014 1.00 72.23 H new ATOM 0 HB3 SER A 8 8.481 -19.723 -0.831 1.00 72.23 H new ATOM 0 HG SER A 8 6.461 -20.042 -0.173 1.00 64.54 H new ATOM 152 N THR A 9 7.076 -22.771 -3.186 1.00 3.50 N ATOM 153 CA THR A 9 6.141 -23.808 -3.603 1.00 2.24 C ATOM 154 C THR A 9 5.676 -24.639 -2.412 1.00 53.34 C ATOM 155 O THR A 9 4.546 -24.494 -1.946 1.00 41.31 O ATOM 156 CB THR A 9 6.771 -24.743 -4.652 1.00 53.03 C ATOM 157 OG1 THR A 9 7.126 -23.998 -5.822 1.00 54.34 O ATOM 158 CG2 THR A 9 5.809 -25.860 -5.029 1.00 15.44 C ATOM 0 H THR A 9 7.992 -23.119 -2.902 1.00 3.50 H new ATOM 0 HA THR A 9 5.284 -23.302 -4.047 1.00 2.24 H new ATOM 0 HB THR A 9 7.667 -25.187 -4.219 1.00 53.03 H new ATOM 0 HG1 THR A 9 7.527 -24.599 -6.483 1.00 54.34 H new ATOM 0 HG21 THR A 9 6.276 -26.507 -5.771 1.00 15.44 H new ATOM 0 HG22 THR A 9 5.563 -26.443 -4.142 1.00 15.44 H new ATOM 0 HG23 THR A 9 4.898 -25.430 -5.445 1.00 15.44 H new ATOM 166 N ALA A 10 6.554 -25.509 -1.925 1.00 34.13 N ATOM 167 CA ALA A 10 6.233 -26.361 -0.787 1.00 31.35 C ATOM 168 C ALA A 10 6.527 -25.651 0.531 1.00 74.52 C ATOM 169 O ALA A 10 6.792 -24.449 0.554 1.00 30.11 O ATOM 170 CB ALA A 10 7.010 -27.667 -0.869 1.00 54.04 C ATOM 0 H ALA A 10 7.493 -25.642 -2.301 1.00 34.13 H new ATOM 0 HA ALA A 10 5.166 -26.583 -0.821 1.00 31.35 H new ATOM 0 HB1 ALA A 10 6.760 -28.293 -0.013 1.00 54.04 H new ATOM 0 HB2 ALA A 10 6.748 -28.189 -1.789 1.00 54.04 H new ATOM 0 HB3 ALA A 10 8.079 -27.455 -0.864 1.00 54.04 H new ATOM 176 N HIS A 11 6.477 -26.403 1.626 1.00 11.44 N ATOM 177 CA HIS A 11 6.738 -25.844 2.948 1.00 32.45 C ATOM 178 C HIS A 11 7.684 -26.742 3.740 1.00 33.33 C ATOM 179 O HIS A 11 7.294 -27.814 4.207 1.00 2.52 O ATOM 180 CB HIS A 11 5.428 -25.661 3.716 1.00 71.54 C ATOM 181 CG HIS A 11 4.345 -25.018 2.906 1.00 14.31 C ATOM 182 ND1 HIS A 11 4.426 -23.725 2.432 1.00 22.33 N ATOM 183 CD2 HIS A 11 3.150 -25.496 2.486 1.00 64.44 C ATOM 184 CE1 HIS A 11 3.328 -23.436 1.757 1.00 63.31 C ATOM 185 NE2 HIS A 11 2.538 -24.494 1.774 1.00 71.42 N ATOM 0 H HIS A 11 6.259 -27.399 1.624 1.00 11.44 H new ATOM 0 HA HIS A 11 7.212 -24.871 2.817 1.00 32.45 H new ATOM 0 HB2 HIS A 11 5.081 -26.634 4.064 1.00 71.54 H new ATOM 0 HB3 HIS A 11 5.617 -25.054 4.602 1.00 71.54 H new ATOM 0 HD2 HIS A 11 2.752 -26.482 2.676 1.00 64.44 H new ATOM 0 HE1 HIS A 11 3.113 -22.495 1.273 1.00 63.31 H new ATOM 0 HE2 HIS A 11 1.622 -24.557 1.330 1.00 71.42 H new ATOM 193 N LEU A 12 8.927 -26.299 3.887 1.00 25.41 N ATOM 194 CA LEU A 12 9.930 -27.063 4.622 1.00 72.21 C ATOM 195 C LEU A 12 10.859 -26.136 5.399 1.00 33.24 C ATOM 196 O LEU A 12 11.590 -25.340 4.813 1.00 64.13 O ATOM 197 CB LEU A 12 10.744 -27.931 3.661 1.00 41.13 C ATOM 198 CG LEU A 12 11.128 -29.320 4.172 1.00 71.14 C ATOM 199 CD1 LEU A 12 9.939 -30.265 4.092 1.00 62.42 C ATOM 200 CD2 LEU A 12 12.305 -29.873 3.381 1.00 1.43 C ATOM 0 H LEU A 12 9.265 -25.415 3.507 1.00 25.41 H new ATOM 0 HA LEU A 12 9.412 -27.707 5.333 1.00 72.21 H new ATOM 0 HB2 LEU A 12 10.174 -28.050 2.739 1.00 41.13 H new ATOM 0 HB3 LEU A 12 11.658 -27.395 3.404 1.00 41.13 H new ATOM 0 HG LEU A 12 11.427 -29.232 5.216 1.00 71.14 H new ATOM 0 HD11 LEU A 12 10.231 -31.249 4.460 1.00 62.42 H new ATOM 0 HD12 LEU A 12 9.124 -29.877 4.702 1.00 62.42 H new ATOM 0 HD13 LEU A 12 9.609 -30.348 3.056 1.00 62.42 H new ATOM 0 HD21 LEU A 12 12.564 -30.862 3.758 1.00 1.43 H new ATOM 0 HD22 LEU A 12 12.033 -29.946 2.328 1.00 1.43 H new ATOM 0 HD23 LEU A 12 13.161 -29.207 3.489 1.00 1.43 H new ATOM 212 N ASN A 13 10.825 -26.247 6.723 1.00 32.44 N ATOM 213 CA ASN A 13 11.665 -25.420 7.582 1.00 61.24 C ATOM 214 C ASN A 13 11.299 -23.946 7.443 1.00 42.41 C ATOM 215 O ASN A 13 12.130 -23.065 7.668 1.00 32.15 O ATOM 216 CB ASN A 13 13.141 -25.626 7.236 1.00 4.50 C ATOM 217 CG ASN A 13 14.062 -25.223 8.372 1.00 64.33 C ATOM 218 OD1 ASN A 13 13.657 -24.514 9.293 1.00 43.24 O ATOM 219 ND2 ASN A 13 15.309 -25.676 8.311 1.00 43.04 N ATOM 0 H ASN A 13 10.225 -26.902 7.225 1.00 32.44 H new ATOM 0 HA ASN A 13 11.495 -25.722 8.615 1.00 61.24 H new ATOM 0 HB2 ASN A 13 13.311 -26.674 6.988 1.00 4.50 H new ATOM 0 HB3 ASN A 13 13.388 -25.045 6.348 1.00 4.50 H new ATOM 0 HD21 ASN A 13 15.974 -25.439 9.047 1.00 43.04 H new ATOM 0 HD22 ASN A 13 15.601 -26.261 7.528 1.00 43.04 H new ATOM 226 N TYR A 14 10.051 -23.684 7.071 1.00 20.12 N ATOM 227 CA TYR A 14 9.575 -22.316 6.901 1.00 70.54 C ATOM 228 C TYR A 14 10.315 -21.620 5.762 1.00 35.23 C ATOM 229 O TYR A 14 10.982 -20.607 5.969 1.00 54.11 O ATOM 230 CB TYR A 14 9.753 -21.526 8.198 1.00 25.52 C ATOM 231 CG TYR A 14 9.275 -22.265 9.428 1.00 65.43 C ATOM 232 CD1 TYR A 14 7.919 -22.415 9.688 1.00 32.33 C ATOM 233 CD2 TYR A 14 10.180 -22.813 10.329 1.00 11.10 C ATOM 234 CE1 TYR A 14 7.477 -23.089 10.811 1.00 63.03 C ATOM 235 CE2 TYR A 14 9.747 -23.489 11.453 1.00 25.41 C ATOM 236 CZ TYR A 14 8.395 -23.625 11.690 1.00 44.33 C ATOM 237 OH TYR A 14 7.961 -24.297 12.809 1.00 14.30 O ATOM 0 H TYR A 14 9.351 -24.401 6.881 1.00 20.12 H new ATOM 0 HA TYR A 14 8.515 -22.356 6.651 1.00 70.54 H new ATOM 0 HB2 TYR A 14 10.807 -21.278 8.320 1.00 25.52 H new ATOM 0 HB3 TYR A 14 9.211 -20.584 8.117 1.00 25.52 H new ATOM 0 HD1 TYR A 14 7.198 -21.998 9.001 1.00 32.33 H new ATOM 0 HD2 TYR A 14 11.239 -22.709 10.147 1.00 11.10 H new ATOM 0 HE1 TYR A 14 6.419 -23.195 10.999 1.00 63.03 H new ATOM 0 HE2 TYR A 14 10.464 -23.909 12.143 1.00 25.41 H new ATOM 0 HH TYR A 14 8.734 -24.612 13.322 1.00 14.30 H new ATOM 247 N MET A 15 10.190 -22.172 4.560 1.00 51.13 N ATOM 248 CA MET A 15 10.845 -21.604 3.387 1.00 14.40 C ATOM 249 C MET A 15 9.884 -20.713 2.606 1.00 14.43 C ATOM 250 O MET A 15 8.901 -21.190 2.041 1.00 13.11 O ATOM 251 CB MET A 15 11.375 -22.718 2.482 1.00 13.43 C ATOM 252 CG MET A 15 12.774 -23.184 2.849 1.00 20.34 C ATOM 253 SD MET A 15 14.029 -21.928 2.537 1.00 65.43 S ATOM 254 CE MET A 15 15.496 -22.946 2.386 1.00 11.22 C ATOM 0 H MET A 15 9.642 -23.011 4.372 1.00 51.13 H new ATOM 0 HA MET A 15 11.682 -20.995 3.729 1.00 14.40 H new ATOM 0 HB2 MET A 15 10.694 -23.568 2.528 1.00 13.43 H new ATOM 0 HB3 MET A 15 11.377 -22.367 1.450 1.00 13.43 H new ATOM 0 HG2 MET A 15 12.796 -23.460 3.903 1.00 20.34 H new ATOM 0 HG3 MET A 15 13.015 -24.082 2.280 1.00 20.34 H new ATOM 0 HE1 MET A 15 16.361 -22.312 2.191 1.00 11.22 H new ATOM 0 HE2 MET A 15 15.653 -23.498 3.313 1.00 11.22 H new ATOM 0 HE3 MET A 15 15.368 -23.648 1.562 1.00 11.22 H new ATOM 264 N ASN A 16 10.175 -19.416 2.580 1.00 73.10 N ATOM 265 CA ASN A 16 9.335 -18.459 1.869 1.00 3.40 C ATOM 266 C ASN A 16 10.089 -17.156 1.618 1.00 53.11 C ATOM 267 O ASN A 16 10.990 -16.793 2.374 1.00 65.21 O ATOM 268 CB ASN A 16 8.059 -18.177 2.665 1.00 24.53 C ATOM 269 CG ASN A 16 6.954 -19.168 2.355 1.00 21.40 C ATOM 270 OD1 ASN A 16 6.331 -19.108 1.295 1.00 15.13 O ATOM 271 ND2 ASN A 16 6.706 -20.087 3.281 1.00 23.22 N ATOM 0 H ASN A 16 10.985 -19.004 3.043 1.00 73.10 H new ATOM 0 HA ASN A 16 9.066 -18.895 0.907 1.00 3.40 H new ATOM 0 HB2 ASN A 16 8.284 -18.210 3.731 1.00 24.53 H new ATOM 0 HB3 ASN A 16 7.711 -17.168 2.443 1.00 24.53 H new ATOM 0 HD21 ASN A 16 5.974 -20.781 3.128 1.00 23.22 H new ATOM 0 HD22 ASN A 16 7.248 -20.099 4.145 1.00 23.22 H new ATOM 278 N ILE A 17 9.712 -16.457 0.552 1.00 22.04 N ATOM 279 CA ILE A 17 10.351 -15.194 0.203 1.00 71.30 C ATOM 280 C ILE A 17 9.320 -14.081 0.049 1.00 23.01 C ATOM 281 O ILE A 17 8.531 -14.078 -0.895 1.00 33.43 O ATOM 282 CB ILE A 17 11.159 -15.314 -1.103 1.00 30.54 C ATOM 283 CG1 ILE A 17 12.335 -16.275 -0.914 1.00 32.23 C ATOM 284 CG2 ILE A 17 11.652 -13.946 -1.548 1.00 64.00 C ATOM 285 CD1 ILE A 17 12.818 -16.900 -2.204 1.00 11.02 C ATOM 0 H ILE A 17 8.968 -16.744 -0.084 1.00 22.04 H new ATOM 0 HA ILE A 17 11.030 -14.947 1.019 1.00 71.30 H new ATOM 0 HB ILE A 17 10.508 -15.714 -1.880 1.00 30.54 H new ATOM 0 HG12 ILE A 17 13.161 -15.738 -0.448 1.00 32.23 H new ATOM 0 HG13 ILE A 17 12.040 -17.066 -0.225 1.00 32.23 H new ATOM 0 HG21 ILE A 17 12.221 -14.047 -2.472 1.00 64.00 H new ATOM 0 HG22 ILE A 17 10.799 -13.289 -1.717 1.00 64.00 H new ATOM 0 HG23 ILE A 17 12.290 -13.520 -0.774 1.00 64.00 H new ATOM 0 HD11 ILE A 17 13.652 -17.569 -1.994 1.00 11.02 H new ATOM 0 HD12 ILE A 17 12.006 -17.465 -2.661 1.00 11.02 H new ATOM 0 HD13 ILE A 17 13.144 -16.117 -2.888 1.00 11.02 H new ATOM 297 N ALA A 18 9.335 -13.135 0.983 1.00 63.15 N ATOM 298 CA ALA A 18 8.405 -12.014 0.949 1.00 52.33 C ATOM 299 C ALA A 18 8.945 -10.878 0.086 1.00 75.22 C ATOM 300 O ALA A 18 10.049 -10.383 0.313 1.00 74.21 O ATOM 301 CB ALA A 18 8.123 -11.519 2.360 1.00 41.13 C ATOM 0 H ALA A 18 9.981 -13.123 1.772 1.00 63.15 H new ATOM 0 HA ALA A 18 7.472 -12.361 0.504 1.00 52.33 H new ATOM 0 HB1 ALA A 18 7.427 -10.681 2.319 1.00 41.13 H new ATOM 0 HB2 ALA A 18 7.686 -12.326 2.948 1.00 41.13 H new ATOM 0 HB3 ALA A 18 9.054 -11.195 2.825 1.00 41.13 H new ATOM 307 N VAL A 19 8.159 -10.470 -0.906 1.00 1.11 N ATOM 308 CA VAL A 19 8.558 -9.392 -1.803 1.00 63.10 C ATOM 309 C VAL A 19 7.811 -8.103 -1.480 1.00 72.23 C ATOM 310 O VAL A 19 6.805 -8.118 -0.771 1.00 12.35 O ATOM 311 CB VAL A 19 8.305 -9.765 -3.276 1.00 13.22 C ATOM 312 CG1 VAL A 19 9.228 -8.977 -4.193 1.00 23.53 C ATOM 313 CG2 VAL A 19 8.482 -11.261 -3.484 1.00 73.23 C ATOM 0 H VAL A 19 7.243 -10.870 -1.108 1.00 1.11 H new ATOM 0 HA VAL A 19 9.626 -9.235 -1.654 1.00 63.10 H new ATOM 0 HB VAL A 19 7.276 -9.506 -3.527 1.00 13.22 H new ATOM 0 HG11 VAL A 19 9.035 -9.254 -5.229 1.00 23.53 H new ATOM 0 HG12 VAL A 19 9.046 -7.910 -4.063 1.00 23.53 H new ATOM 0 HG13 VAL A 19 10.265 -9.201 -3.945 1.00 23.53 H new ATOM 0 HG21 VAL A 19 8.300 -11.507 -4.530 1.00 73.23 H new ATOM 0 HG22 VAL A 19 9.499 -11.548 -3.216 1.00 73.23 H new ATOM 0 HG23 VAL A 19 7.775 -11.802 -2.855 1.00 73.23 H new ATOM 323 N TYR A 20 8.309 -6.990 -2.007 1.00 15.25 N ATOM 324 CA TYR A 20 7.689 -5.691 -1.773 1.00 51.31 C ATOM 325 C TYR A 20 7.876 -4.774 -2.978 1.00 11.41 C ATOM 326 O TYR A 20 8.981 -4.638 -3.502 1.00 72.13 O ATOM 327 CB TYR A 20 8.281 -5.037 -0.524 1.00 1.24 C ATOM 328 CG TYR A 20 8.210 -5.910 0.709 1.00 73.34 C ATOM 329 CD1 TYR A 20 7.009 -6.096 1.383 1.00 24.25 C ATOM 330 CD2 TYR A 20 9.342 -6.549 1.198 1.00 2.35 C ATOM 331 CE1 TYR A 20 6.939 -6.893 2.510 1.00 3.31 C ATOM 332 CE2 TYR A 20 9.281 -7.348 2.323 1.00 22.23 C ATOM 333 CZ TYR A 20 8.078 -7.517 2.976 1.00 53.13 C ATOM 334 OH TYR A 20 8.013 -8.311 4.097 1.00 20.35 O ATOM 0 H TYR A 20 9.139 -6.961 -2.599 1.00 15.25 H new ATOM 0 HA TYR A 20 6.621 -5.849 -1.621 1.00 51.31 H new ATOM 0 HB2 TYR A 20 9.323 -4.780 -0.718 1.00 1.24 H new ATOM 0 HB3 TYR A 20 7.754 -4.103 -0.329 1.00 1.24 H new ATOM 0 HD1 TYR A 20 6.116 -5.610 1.020 1.00 24.25 H new ATOM 0 HD2 TYR A 20 10.286 -6.419 0.690 1.00 2.35 H new ATOM 0 HE1 TYR A 20 5.998 -7.027 3.023 1.00 3.31 H new ATOM 0 HE2 TYR A 20 10.171 -7.838 2.690 1.00 22.23 H new ATOM 0 HH TYR A 20 8.901 -8.677 4.291 1.00 20.35 H new ATOM 344 N GLU A 21 6.787 -4.146 -3.410 1.00 52.22 N ATOM 345 CA GLU A 21 6.830 -3.241 -4.553 1.00 62.32 C ATOM 346 C GLU A 21 6.509 -1.811 -4.128 1.00 60.40 C ATOM 347 O GLU A 21 5.787 -1.589 -3.157 1.00 5.21 O ATOM 348 CB GLU A 21 5.845 -3.698 -5.631 1.00 71.10 C ATOM 349 CG GLU A 21 5.842 -2.815 -6.867 1.00 44.33 C ATOM 350 CD GLU A 21 4.850 -3.281 -7.915 1.00 44.52 C ATOM 351 OE1 GLU A 21 4.867 -4.481 -8.256 1.00 61.55 O ATOM 352 OE2 GLU A 21 4.057 -2.443 -8.394 1.00 31.12 O ATOM 0 H GLU A 21 5.865 -4.247 -2.986 1.00 52.22 H new ATOM 0 HA GLU A 21 7.840 -3.262 -4.962 1.00 62.32 H new ATOM 0 HB2 GLU A 21 6.089 -4.719 -5.925 1.00 71.10 H new ATOM 0 HB3 GLU A 21 4.841 -3.720 -5.208 1.00 71.10 H new ATOM 0 HG2 GLU A 21 5.604 -1.791 -6.577 1.00 44.33 H new ATOM 0 HG3 GLU A 21 6.842 -2.800 -7.300 1.00 44.33 H new ATOM 359 N ASN A 22 7.051 -0.846 -4.863 1.00 3.21 N ATOM 360 CA ASN A 22 6.824 0.563 -4.562 1.00 30.00 C ATOM 361 C ASN A 22 5.700 1.129 -5.425 1.00 3.12 C ATOM 362 O ASN A 22 5.522 0.726 -6.574 1.00 5.44 O ATOM 363 CB ASN A 22 8.107 1.367 -4.784 1.00 31.23 C ATOM 364 CG ASN A 22 7.898 2.856 -4.584 1.00 61.51 C ATOM 365 OD1 ASN A 22 8.293 3.667 -5.422 1.00 21.25 O ATOM 366 ND2 ASN A 22 7.275 3.221 -3.470 1.00 54.21 N ATOM 0 H ASN A 22 7.650 -1.013 -5.671 1.00 3.21 H new ATOM 0 HA ASN A 22 6.530 0.643 -3.515 1.00 30.00 H new ATOM 0 HB2 ASN A 22 8.876 1.015 -4.097 1.00 31.23 H new ATOM 0 HB3 ASN A 22 8.475 1.187 -5.794 1.00 31.23 H new ATOM 0 HD21 ASN A 22 7.106 4.209 -3.280 1.00 54.21 H new ATOM 0 HD22 ASN A 22 6.965 2.514 -2.804 1.00 54.21 H new ATOM 373 N GLY A 23 4.944 2.067 -4.862 1.00 43.00 N ATOM 374 CA GLY A 23 3.848 2.674 -5.594 1.00 32.13 C ATOM 375 C GLY A 23 4.316 3.415 -6.830 1.00 51.51 C ATOM 376 O GLY A 23 3.565 3.567 -7.793 1.00 75.33 O ATOM 0 H GLY A 23 5.071 2.417 -3.912 1.00 43.00 H new ATOM 0 HA2 GLY A 23 3.137 1.901 -5.885 1.00 32.13 H new ATOM 0 HA3 GLY A 23 3.317 3.365 -4.939 1.00 32.13 H new ATOM 380 N SER A 24 5.561 3.881 -6.803 1.00 73.02 N ATOM 381 CA SER A 24 6.126 4.616 -7.928 1.00 64.04 C ATOM 382 C SER A 24 6.642 3.659 -8.999 1.00 30.44 C ATOM 383 O SER A 24 6.087 3.576 -10.095 1.00 2.44 O ATOM 384 CB SER A 24 7.261 5.525 -7.452 1.00 53.43 C ATOM 385 OG SER A 24 6.945 6.127 -6.209 1.00 34.44 O ATOM 0 H SER A 24 6.197 3.762 -6.014 1.00 73.02 H new ATOM 0 HA SER A 24 5.336 5.229 -8.363 1.00 64.04 H new ATOM 0 HB2 SER A 24 8.179 4.946 -7.356 1.00 53.43 H new ATOM 0 HB3 SER A 24 7.449 6.298 -8.197 1.00 53.43 H new ATOM 0 HG SER A 24 7.262 5.555 -5.479 1.00 34.44 H new ATOM 391 N LYS A 25 7.708 2.936 -8.673 1.00 21.24 N ATOM 392 CA LYS A 25 8.300 1.982 -9.603 1.00 43.33 C ATOM 393 C LYS A 25 8.247 0.566 -9.039 1.00 10.22 C ATOM 394 O LYS A 25 7.702 0.339 -7.958 1.00 54.14 O ATOM 395 CB LYS A 25 9.750 2.367 -9.907 1.00 0.53 C ATOM 396 CG LYS A 25 9.897 3.751 -10.516 1.00 71.24 C ATOM 397 CD LYS A 25 9.785 3.707 -12.031 1.00 50.32 C ATOM 398 CE LYS A 25 10.093 5.061 -12.652 1.00 3.10 C ATOM 399 NZ LYS A 25 9.962 5.034 -14.135 1.00 43.01 N ATOM 0 H LYS A 25 8.180 2.993 -7.771 1.00 21.24 H new ATOM 0 HA LYS A 25 7.722 2.008 -10.527 1.00 43.33 H new ATOM 0 HB2 LYS A 25 10.330 2.321 -8.985 1.00 0.53 H new ATOM 0 HB3 LYS A 25 10.177 1.632 -10.589 1.00 0.53 H new ATOM 0 HG2 LYS A 25 9.129 4.411 -10.112 1.00 71.24 H new ATOM 0 HG3 LYS A 25 10.861 4.174 -10.233 1.00 71.24 H new ATOM 0 HD2 LYS A 25 10.473 2.959 -12.426 1.00 50.32 H new ATOM 0 HD3 LYS A 25 8.779 3.396 -12.314 1.00 50.32 H new ATOM 0 HE2 LYS A 25 9.417 5.811 -12.241 1.00 3.10 H new ATOM 0 HE3 LYS A 25 11.105 5.362 -12.382 1.00 3.10 H new ATOM 0 HZ1 LYS A 25 10.180 5.975 -14.520 1.00 43.01 H new ATOM 0 HZ2 LYS A 25 10.625 4.337 -14.529 1.00 43.01 H new ATOM 0 HZ3 LYS A 25 8.989 4.771 -14.393 1.00 43.01 H new ATOM 413 N ILE A 26 8.817 -0.381 -9.775 1.00 62.34 N ATOM 414 CA ILE A 26 8.836 -1.774 -9.346 1.00 63.10 C ATOM 415 C ILE A 26 10.015 -2.047 -8.418 1.00 32.04 C ATOM 416 O ILE A 26 11.123 -1.560 -8.642 1.00 52.44 O ATOM 417 CB ILE A 26 8.912 -2.733 -10.549 1.00 1.02 C ATOM 418 CG1 ILE A 26 7.714 -2.519 -11.476 1.00 50.51 C ATOM 419 CG2 ILE A 26 8.968 -4.177 -10.072 1.00 44.35 C ATOM 420 CD1 ILE A 26 6.400 -2.972 -10.880 1.00 72.31 C ATOM 0 H ILE A 26 9.272 -0.209 -10.672 1.00 62.34 H new ATOM 0 HA ILE A 26 7.904 -1.951 -8.809 1.00 63.10 H new ATOM 0 HB ILE A 26 9.823 -2.520 -11.108 1.00 1.02 H new ATOM 0 HG12 ILE A 26 7.644 -1.461 -11.727 1.00 50.51 H new ATOM 0 HG13 ILE A 26 7.886 -3.057 -12.408 1.00 50.51 H new ATOM 0 HG21 ILE A 26 9.021 -4.843 -10.933 1.00 44.35 H new ATOM 0 HG22 ILE A 26 9.850 -4.320 -9.448 1.00 44.35 H new ATOM 0 HG23 ILE A 26 8.073 -4.404 -9.493 1.00 44.35 H new ATOM 0 HD11 ILE A 26 5.595 -2.790 -11.592 1.00 72.31 H new ATOM 0 HD12 ILE A 26 6.451 -4.037 -10.654 1.00 72.31 H new ATOM 0 HD13 ILE A 26 6.205 -2.416 -9.963 1.00 72.31 H new ATOM 432 N LYS A 27 9.769 -2.831 -7.374 1.00 30.35 N ATOM 433 CA LYS A 27 10.810 -3.173 -6.411 1.00 75.31 C ATOM 434 C LYS A 27 10.757 -4.656 -6.057 1.00 62.01 C ATOM 435 O LYS A 27 9.679 -5.230 -5.905 1.00 1.44 O ATOM 436 CB LYS A 27 10.658 -2.330 -5.143 1.00 54.33 C ATOM 437 CG LYS A 27 11.570 -2.765 -4.010 1.00 30.31 C ATOM 438 CD LYS A 27 11.869 -1.616 -3.061 1.00 74.34 C ATOM 439 CE LYS A 27 13.013 -0.755 -3.572 1.00 65.12 C ATOM 440 NZ LYS A 27 13.360 0.331 -2.615 1.00 1.53 N ATOM 0 H LYS A 27 8.857 -3.242 -7.173 1.00 30.35 H new ATOM 0 HA LYS A 27 11.777 -2.960 -6.868 1.00 75.31 H new ATOM 0 HB2 LYS A 27 10.864 -1.287 -5.384 1.00 54.33 H new ATOM 0 HB3 LYS A 27 9.623 -2.381 -4.805 1.00 54.33 H new ATOM 0 HG2 LYS A 27 11.103 -3.581 -3.459 1.00 30.31 H new ATOM 0 HG3 LYS A 27 12.503 -3.151 -4.421 1.00 30.31 H new ATOM 0 HD2 LYS A 27 10.977 -1.002 -2.939 1.00 74.34 H new ATOM 0 HD3 LYS A 27 12.121 -2.012 -2.077 1.00 74.34 H new ATOM 0 HE2 LYS A 27 13.889 -1.380 -3.745 1.00 65.12 H new ATOM 0 HE3 LYS A 27 12.738 -0.319 -4.532 1.00 65.12 H new ATOM 0 HZ1 LYS A 27 14.144 0.895 -3.000 1.00 1.53 H new ATOM 0 HZ2 LYS A 27 12.532 0.943 -2.469 1.00 1.53 H new ATOM 0 HZ3 LYS A 27 13.647 -0.086 -1.706 1.00 1.53 H new ATOM 454 N ALA A 28 11.928 -5.270 -5.926 1.00 64.34 N ATOM 455 CA ALA A 28 12.015 -6.685 -5.587 1.00 23.13 C ATOM 456 C ALA A 28 12.968 -6.911 -4.417 1.00 74.44 C ATOM 457 O ALA A 28 14.187 -6.851 -4.577 1.00 12.11 O ATOM 458 CB ALA A 28 12.461 -7.492 -6.797 1.00 24.00 C ATOM 0 H ALA A 28 12.830 -4.810 -6.050 1.00 64.34 H new ATOM 0 HA ALA A 28 11.024 -7.023 -5.285 1.00 23.13 H new ATOM 0 HB1 ALA A 28 12.521 -8.547 -6.529 1.00 24.00 H new ATOM 0 HB2 ALA A 28 11.741 -7.364 -7.605 1.00 24.00 H new ATOM 0 HB3 ALA A 28 13.441 -7.144 -7.125 1.00 24.00 H new ATOM 464 N ARG A 29 12.403 -7.171 -3.243 1.00 24.55 N ATOM 465 CA ARG A 29 13.203 -7.405 -2.046 1.00 11.21 C ATOM 466 C ARG A 29 12.977 -8.815 -1.508 1.00 3.33 C ATOM 467 O ARG A 29 11.926 -9.113 -0.940 1.00 63.24 O ATOM 468 CB ARG A 29 12.859 -6.375 -0.968 1.00 42.12 C ATOM 469 CG ARG A 29 13.713 -6.495 0.284 1.00 60.25 C ATOM 470 CD ARG A 29 12.973 -5.992 1.513 1.00 32.51 C ATOM 471 NE ARG A 29 13.887 -5.646 2.598 1.00 14.23 N ATOM 472 CZ ARG A 29 14.554 -4.499 2.659 1.00 11.21 C ATOM 473 NH1 ARG A 29 14.410 -3.593 1.702 1.00 13.41 N ATOM 474 NH2 ARG A 29 15.367 -4.256 3.679 1.00 22.31 N ATOM 0 H ARG A 29 11.395 -7.225 -3.095 1.00 24.55 H new ATOM 0 HA ARG A 29 14.254 -7.302 -2.316 1.00 11.21 H new ATOM 0 HB2 ARG A 29 12.977 -5.374 -1.383 1.00 42.12 H new ATOM 0 HB3 ARG A 29 11.810 -6.485 -0.694 1.00 42.12 H new ATOM 0 HG2 ARG A 29 14.000 -7.536 0.432 1.00 60.25 H new ATOM 0 HG3 ARG A 29 14.633 -5.926 0.154 1.00 60.25 H new ATOM 0 HD2 ARG A 29 12.379 -5.118 1.246 1.00 32.51 H new ATOM 0 HD3 ARG A 29 12.277 -6.757 1.856 1.00 32.51 H new ATOM 0 HE ARG A 29 14.021 -6.322 3.350 1.00 14.23 H new ATOM 0 HH11 ARG A 29 13.786 -3.776 0.916 1.00 13.41 H new ATOM 0 HH12 ARG A 29 14.923 -2.713 1.751 1.00 13.41 H new ATOM 0 HH21 ARG A 29 15.480 -4.950 4.417 1.00 22.31 H new ATOM 0 HH22 ARG A 29 15.879 -3.375 3.725 1.00 22.31 H new ATOM 488 N VAL A 30 13.971 -9.678 -1.690 1.00 62.43 N ATOM 489 CA VAL A 30 13.882 -11.057 -1.223 1.00 11.51 C ATOM 490 C VAL A 30 14.117 -11.143 0.281 1.00 73.10 C ATOM 491 O VAL A 30 15.244 -10.997 0.752 1.00 61.10 O ATOM 492 CB VAL A 30 14.900 -11.961 -1.943 1.00 52.42 C ATOM 493 CG1 VAL A 30 14.989 -13.316 -1.259 1.00 11.15 C ATOM 494 CG2 VAL A 30 14.527 -12.118 -3.410 1.00 24.33 C ATOM 0 H VAL A 30 14.848 -9.447 -2.158 1.00 62.43 H new ATOM 0 HA VAL A 30 12.874 -11.404 -1.452 1.00 11.51 H new ATOM 0 HB VAL A 30 15.881 -11.489 -1.889 1.00 52.42 H new ATOM 0 HG11 VAL A 30 15.713 -13.941 -1.782 1.00 11.15 H new ATOM 0 HG12 VAL A 30 15.306 -13.181 -0.225 1.00 11.15 H new ATOM 0 HG13 VAL A 30 14.012 -13.799 -1.279 1.00 11.15 H new ATOM 0 HG21 VAL A 30 15.256 -12.760 -3.904 1.00 24.33 H new ATOM 0 HG22 VAL A 30 13.537 -12.567 -3.488 1.00 24.33 H new ATOM 0 HG23 VAL A 30 14.520 -11.140 -3.890 1.00 24.33 H new ATOM 504 N GLU A 31 13.044 -11.382 1.029 1.00 22.22 N ATOM 505 CA GLU A 31 13.134 -11.488 2.481 1.00 44.13 C ATOM 506 C GLU A 31 12.866 -12.918 2.940 1.00 74.22 C ATOM 507 O GLU A 31 11.796 -13.471 2.688 1.00 30.20 O ATOM 508 CB GLU A 31 12.142 -10.532 3.147 1.00 43.05 C ATOM 509 CG GLU A 31 12.010 -10.740 4.646 1.00 54.22 C ATOM 510 CD GLU A 31 11.615 -9.472 5.378 1.00 51.21 C ATOM 511 OE1 GLU A 31 11.400 -8.441 4.707 1.00 43.02 O ATOM 512 OE2 GLU A 31 11.520 -9.511 6.623 1.00 63.24 O ATOM 0 H GLU A 31 12.104 -11.506 0.654 1.00 22.22 H new ATOM 0 HA GLU A 31 14.146 -11.214 2.777 1.00 44.13 H new ATOM 0 HB2 GLU A 31 12.456 -9.506 2.957 1.00 43.05 H new ATOM 0 HB3 GLU A 31 11.163 -10.657 2.684 1.00 43.05 H new ATOM 0 HG2 GLU A 31 11.266 -11.513 4.838 1.00 54.22 H new ATOM 0 HG3 GLU A 31 12.957 -11.104 5.043 1.00 54.22 H new ATOM 519 N ASN A 32 13.845 -13.511 3.614 1.00 5.13 N ATOM 520 CA ASN A 32 13.716 -14.877 4.108 1.00 70.11 C ATOM 521 C ASN A 32 13.154 -14.892 5.526 1.00 33.21 C ATOM 522 O ASN A 32 13.145 -13.871 6.213 1.00 50.50 O ATOM 523 CB ASN A 32 15.073 -15.583 4.078 1.00 70.22 C ATOM 524 CG ASN A 32 14.951 -17.055 3.733 1.00 45.10 C ATOM 525 OD1 ASN A 32 14.267 -17.426 2.779 1.00 3.01 O ATOM 526 ND2 ASN A 32 15.617 -17.901 4.510 1.00 33.53 N ATOM 0 H ASN A 32 14.737 -13.067 3.831 1.00 5.13 H new ATOM 0 HA ASN A 32 13.023 -15.408 3.456 1.00 70.11 H new ATOM 0 HB2 ASN A 32 15.718 -15.094 3.348 1.00 70.22 H new ATOM 0 HB3 ASN A 32 15.555 -15.479 5.050 1.00 70.22 H new ATOM 0 HD21 ASN A 32 15.574 -18.903 4.327 1.00 33.53 H new ATOM 0 HD22 ASN A 32 16.172 -17.548 5.290 1.00 33.53 H new ATOM 533 N VAL A 33 12.685 -16.058 5.959 1.00 61.52 N ATOM 534 CA VAL A 33 12.123 -16.208 7.296 1.00 54.14 C ATOM 535 C VAL A 33 12.900 -17.238 8.107 1.00 4.32 C ATOM 536 O VAL A 33 12.987 -17.143 9.332 1.00 52.45 O ATOM 537 CB VAL A 33 10.642 -16.628 7.238 1.00 71.14 C ATOM 538 CG1 VAL A 33 9.764 -15.442 6.866 1.00 23.45 C ATOM 539 CG2 VAL A 33 10.451 -17.772 6.253 1.00 2.10 C ATOM 0 H VAL A 33 12.683 -16.913 5.403 1.00 61.52 H new ATOM 0 HA VAL A 33 12.199 -15.235 7.782 1.00 54.14 H new ATOM 0 HB VAL A 33 10.342 -16.975 8.227 1.00 71.14 H new ATOM 0 HG11 VAL A 33 8.721 -15.758 6.830 1.00 23.45 H new ATOM 0 HG12 VAL A 33 9.879 -14.656 7.612 1.00 23.45 H new ATOM 0 HG13 VAL A 33 10.062 -15.061 5.889 1.00 23.45 H new ATOM 0 HG21 VAL A 33 9.399 -18.056 6.225 1.00 2.10 H new ATOM 0 HG22 VAL A 33 10.768 -17.454 5.260 1.00 2.10 H new ATOM 0 HG23 VAL A 33 11.049 -18.627 6.568 1.00 2.10 H new ATOM 549 N VAL A 34 13.466 -18.223 7.417 1.00 41.33 N ATOM 550 CA VAL A 34 14.239 -19.271 8.073 1.00 51.52 C ATOM 551 C VAL A 34 15.296 -18.677 8.997 1.00 42.22 C ATOM 552 O VAL A 34 15.342 -18.989 10.186 1.00 55.41 O ATOM 553 CB VAL A 34 14.928 -20.187 7.044 1.00 31.25 C ATOM 554 CG1 VAL A 34 15.784 -21.230 7.747 1.00 12.24 C ATOM 555 CG2 VAL A 34 13.895 -20.851 6.147 1.00 52.14 C ATOM 0 H VAL A 34 13.404 -18.317 6.403 1.00 41.33 H new ATOM 0 HA VAL A 34 13.537 -19.862 8.661 1.00 51.52 H new ATOM 0 HB VAL A 34 15.580 -19.577 6.419 1.00 31.25 H new ATOM 0 HG11 VAL A 34 16.263 -21.868 7.004 1.00 12.24 H new ATOM 0 HG12 VAL A 34 16.548 -20.732 8.344 1.00 12.24 H new ATOM 0 HG13 VAL A 34 15.155 -21.839 8.397 1.00 12.24 H new ATOM 0 HG21 VAL A 34 14.399 -21.495 5.426 1.00 52.14 H new ATOM 0 HG22 VAL A 34 13.216 -21.449 6.755 1.00 52.14 H new ATOM 0 HG23 VAL A 34 13.328 -20.086 5.616 1.00 52.14 H new ATOM 565 N ASN A 35 16.145 -17.819 8.441 1.00 44.50 N ATOM 566 CA ASN A 35 17.204 -17.180 9.215 1.00 35.25 C ATOM 567 C ASN A 35 16.642 -16.057 10.082 1.00 35.42 C ATOM 568 O ASN A 35 17.254 -15.656 11.071 1.00 70.40 O ATOM 569 CB ASN A 35 18.284 -16.628 8.284 1.00 61.24 C ATOM 570 CG ASN A 35 19.508 -17.521 8.225 1.00 63.32 C ATOM 571 OD1 ASN A 35 20.640 -17.050 8.335 1.00 42.11 O ATOM 572 ND2 ASN A 35 19.286 -18.819 8.050 1.00 50.20 N ATOM 0 H ASN A 35 16.121 -17.550 7.457 1.00 44.50 H new ATOM 0 HA ASN A 35 17.647 -17.933 9.867 1.00 35.25 H new ATOM 0 HB2 ASN A 35 17.872 -16.514 7.281 1.00 61.24 H new ATOM 0 HB3 ASN A 35 18.578 -15.635 8.622 1.00 61.24 H new ATOM 0 HD21 ASN A 35 20.071 -19.469 8.002 1.00 50.20 H new ATOM 0 HD22 ASN A 35 18.331 -19.166 7.964 1.00 50.20 H new ATOM 579 N GLY A 36 15.470 -15.554 9.704 1.00 64.44 N ATOM 580 CA GLY A 36 14.845 -14.483 10.457 1.00 72.22 C ATOM 581 C GLY A 36 15.443 -13.127 10.141 1.00 1.44 C ATOM 582 O GLY A 36 15.183 -12.147 10.840 1.00 1.04 O ATOM 0 H GLY A 36 14.943 -15.870 8.890 1.00 64.44 H new ATOM 0 HA2 GLY A 36 13.777 -14.465 10.240 1.00 72.22 H new ATOM 0 HA3 GLY A 36 14.950 -14.683 11.523 1.00 72.22 H new ATOM 586 N LYS A 37 16.249 -13.068 9.086 1.00 13.24 N ATOM 587 CA LYS A 37 16.887 -11.822 8.679 1.00 51.20 C ATOM 588 C LYS A 37 16.826 -11.649 7.165 1.00 62.34 C ATOM 589 O LYS A 37 17.490 -12.371 6.421 1.00 24.21 O ATOM 590 CB LYS A 37 18.343 -11.794 9.148 1.00 3.52 C ATOM 591 CG LYS A 37 19.145 -10.638 8.574 1.00 30.21 C ATOM 592 CD LYS A 37 18.603 -9.297 9.040 1.00 20.43 C ATOM 593 CE LYS A 37 19.628 -8.189 8.860 1.00 43.55 C ATOM 594 NZ LYS A 37 19.127 -6.882 9.368 1.00 42.54 N ATOM 0 H LYS A 37 16.476 -13.869 8.497 1.00 13.24 H new ATOM 0 HA LYS A 37 16.346 -10.997 9.143 1.00 51.20 H new ATOM 0 HB2 LYS A 37 18.364 -11.735 10.236 1.00 3.52 H new ATOM 0 HB3 LYS A 37 18.824 -12.732 8.870 1.00 3.52 H new ATOM 0 HG2 LYS A 37 20.189 -10.734 8.874 1.00 30.21 H new ATOM 0 HG3 LYS A 37 19.121 -10.683 7.485 1.00 30.21 H new ATOM 0 HD2 LYS A 37 17.700 -9.054 8.480 1.00 20.43 H new ATOM 0 HD3 LYS A 37 18.318 -9.364 10.090 1.00 20.43 H new ATOM 0 HE2 LYS A 37 20.546 -8.455 9.384 1.00 43.55 H new ATOM 0 HE3 LYS A 37 19.880 -8.096 7.804 1.00 43.55 H new ATOM 0 HZ1 LYS A 37 19.855 -6.153 9.227 1.00 42.54 H new ATOM 0 HZ2 LYS A 37 18.265 -6.616 8.850 1.00 42.54 H new ATOM 0 HZ3 LYS A 37 18.910 -6.964 10.382 1.00 42.54 H new ATOM 608 N SER A 38 16.027 -10.687 6.715 1.00 72.43 N ATOM 609 CA SER A 38 15.878 -10.422 5.289 1.00 41.24 C ATOM 610 C SER A 38 17.240 -10.239 4.625 1.00 32.02 C ATOM 611 O SER A 38 18.025 -9.378 5.021 1.00 44.33 O ATOM 612 CB SER A 38 15.019 -9.175 5.067 1.00 31.43 C ATOM 613 OG SER A 38 15.710 -8.003 5.462 1.00 41.14 O ATOM 0 H SER A 38 15.473 -10.078 7.317 1.00 72.43 H new ATOM 0 HA SER A 38 15.384 -11.281 4.835 1.00 41.24 H new ATOM 0 HB2 SER A 38 14.744 -9.102 4.015 1.00 31.43 H new ATOM 0 HB3 SER A 38 14.092 -9.263 5.633 1.00 31.43 H new ATOM 0 HG SER A 38 16.665 -8.202 5.557 1.00 41.14 H new ATOM 619 N VAL A 39 17.512 -11.056 3.613 1.00 24.50 N ATOM 620 CA VAL A 39 18.778 -10.986 2.893 1.00 41.33 C ATOM 621 C VAL A 39 18.550 -10.879 1.389 1.00 35.32 C ATOM 622 O VAL A 39 18.910 -11.778 0.631 1.00 65.04 O ATOM 623 CB VAL A 39 19.658 -12.217 3.181 1.00 12.43 C ATOM 624 CG1 VAL A 39 20.419 -12.035 4.486 1.00 71.23 C ATOM 625 CG2 VAL A 39 18.810 -13.479 3.220 1.00 23.32 C ATOM 0 H VAL A 39 16.873 -11.774 3.273 1.00 24.50 H new ATOM 0 HA VAL A 39 19.292 -10.091 3.245 1.00 41.33 H new ATOM 0 HB VAL A 39 20.385 -12.320 2.376 1.00 12.43 H new ATOM 0 HG11 VAL A 39 21.035 -12.914 4.673 1.00 71.23 H new ATOM 0 HG12 VAL A 39 21.056 -11.153 4.416 1.00 71.23 H new ATOM 0 HG13 VAL A 39 19.711 -11.907 5.305 1.00 71.23 H new ATOM 0 HG21 VAL A 39 19.447 -14.339 3.425 1.00 23.32 H new ATOM 0 HG22 VAL A 39 18.059 -13.389 4.005 1.00 23.32 H new ATOM 0 HG23 VAL A 39 18.315 -13.615 2.258 1.00 23.32 H new ATOM 635 N GLY A 40 17.947 -9.773 0.964 1.00 1.44 N ATOM 636 CA GLY A 40 17.681 -9.568 -0.447 1.00 72.25 C ATOM 637 C GLY A 40 17.283 -8.140 -0.762 1.00 3.44 C ATOM 638 O GLY A 40 16.392 -7.582 -0.123 1.00 13.42 O ATOM 0 H GLY A 40 17.638 -9.015 1.573 1.00 1.44 H new ATOM 0 HA2 GLY A 40 18.569 -9.829 -1.022 1.00 72.25 H new ATOM 0 HA3 GLY A 40 16.885 -10.242 -0.765 1.00 72.25 H new ATOM 642 N ALA A 41 17.947 -7.545 -1.748 1.00 23.53 N ATOM 643 CA ALA A 41 17.658 -6.173 -2.145 1.00 60.34 C ATOM 644 C ALA A 41 17.964 -5.954 -3.623 1.00 51.01 C ATOM 645 O ALA A 41 19.084 -6.191 -4.077 1.00 35.22 O ATOM 646 CB ALA A 41 18.452 -5.197 -1.290 1.00 33.35 C ATOM 0 H ALA A 41 18.689 -7.992 -2.286 1.00 23.53 H new ATOM 0 HA ALA A 41 16.594 -5.992 -1.990 1.00 60.34 H new ATOM 0 HB1 ALA A 41 18.226 -4.176 -1.598 1.00 33.35 H new ATOM 0 HB2 ALA A 41 18.182 -5.328 -0.242 1.00 33.35 H new ATOM 0 HB3 ALA A 41 19.518 -5.386 -1.416 1.00 33.35 H new ATOM 652 N ARG A 42 16.962 -5.500 -4.369 1.00 72.50 N ATOM 653 CA ARG A 42 17.124 -5.251 -5.796 1.00 71.23 C ATOM 654 C ARG A 42 16.150 -4.179 -6.275 1.00 13.41 C ATOM 655 O ARG A 42 15.094 -3.972 -5.675 1.00 65.33 O ATOM 656 CB ARG A 42 16.908 -6.542 -6.589 1.00 11.31 C ATOM 657 CG ARG A 42 18.199 -7.183 -7.072 1.00 55.22 C ATOM 658 CD ARG A 42 18.961 -6.261 -8.011 1.00 53.03 C ATOM 659 NE ARG A 42 20.056 -6.952 -8.687 1.00 53.11 N ATOM 660 CZ ARG A 42 20.887 -6.358 -9.536 1.00 10.32 C ATOM 661 NH1 ARG A 42 20.749 -5.068 -9.811 1.00 31.11 N ATOM 662 NH2 ARG A 42 21.859 -7.054 -10.111 1.00 43.30 N ATOM 0 H ARG A 42 16.030 -5.297 -4.009 1.00 72.50 H new ATOM 0 HA ARG A 42 18.141 -4.895 -5.964 1.00 71.23 H new ATOM 0 HB2 ARG A 42 16.369 -7.255 -5.966 1.00 11.31 H new ATOM 0 HB3 ARG A 42 16.274 -6.328 -7.450 1.00 11.31 H new ATOM 0 HG2 ARG A 42 18.826 -7.431 -6.216 1.00 55.22 H new ATOM 0 HG3 ARG A 42 17.973 -8.119 -7.583 1.00 55.22 H new ATOM 0 HD2 ARG A 42 18.276 -5.854 -8.754 1.00 53.03 H new ATOM 0 HD3 ARG A 42 19.358 -5.417 -7.447 1.00 53.03 H new ATOM 0 HE ARG A 42 20.190 -7.945 -8.497 1.00 53.11 H new ATOM 0 HH11 ARG A 42 20.003 -4.529 -9.370 1.00 31.11 H new ATOM 0 HH12 ARG A 42 21.389 -4.614 -10.463 1.00 31.11 H new ATOM 0 HH21 ARG A 42 21.969 -8.046 -9.901 1.00 43.30 H new ATOM 0 HH22 ARG A 42 22.497 -6.597 -10.763 1.00 43.30 H new ATOM 676 N ASP A 43 16.511 -3.499 -7.357 1.00 64.15 N ATOM 677 CA ASP A 43 15.670 -2.448 -7.917 1.00 75.02 C ATOM 678 C ASP A 43 15.273 -2.776 -9.353 1.00 61.42 C ATOM 679 O ASP A 43 16.127 -2.902 -10.231 1.00 3.40 O ATOM 680 CB ASP A 43 16.397 -1.103 -7.871 1.00 31.45 C ATOM 681 CG ASP A 43 17.788 -1.177 -8.469 1.00 0.42 C ATOM 682 OD1 ASP A 43 18.687 -1.742 -7.812 1.00 72.21 O ATOM 683 OD2 ASP A 43 17.978 -0.667 -9.593 1.00 62.54 O ATOM 0 H ASP A 43 17.382 -3.657 -7.864 1.00 64.15 H new ATOM 0 HA ASP A 43 14.764 -2.383 -7.314 1.00 75.02 H new ATOM 0 HB2 ASP A 43 15.812 -0.358 -8.410 1.00 31.45 H new ATOM 0 HB3 ASP A 43 16.467 -0.766 -6.837 1.00 31.45 H new ATOM 688 N PHE A 44 13.972 -2.916 -9.585 1.00 40.33 N ATOM 689 CA PHE A 44 13.462 -3.232 -10.914 1.00 41.35 C ATOM 690 C PHE A 44 12.771 -2.021 -11.534 1.00 12.31 C ATOM 691 O PHE A 44 12.708 -0.951 -10.928 1.00 12.03 O ATOM 692 CB PHE A 44 12.487 -4.409 -10.843 1.00 40.33 C ATOM 693 CG PHE A 44 13.159 -5.750 -10.927 1.00 13.53 C ATOM 694 CD1 PHE A 44 14.286 -6.023 -10.170 1.00 4.45 C ATOM 695 CD2 PHE A 44 12.663 -6.737 -11.763 1.00 15.22 C ATOM 696 CE1 PHE A 44 14.907 -7.256 -10.244 1.00 13.44 C ATOM 697 CE2 PHE A 44 13.278 -7.972 -11.841 1.00 3.42 C ATOM 698 CZ PHE A 44 14.402 -8.231 -11.081 1.00 44.02 C ATOM 0 H PHE A 44 13.252 -2.816 -8.870 1.00 40.33 H new ATOM 0 HA PHE A 44 14.308 -3.507 -11.544 1.00 41.35 H new ATOM 0 HB2 PHE A 44 11.926 -4.350 -9.910 1.00 40.33 H new ATOM 0 HB3 PHE A 44 11.765 -4.322 -11.655 1.00 40.33 H new ATOM 0 HD1 PHE A 44 14.685 -5.263 -9.514 1.00 4.45 H new ATOM 0 HD2 PHE A 44 11.786 -6.539 -12.361 1.00 15.22 H new ATOM 0 HE1 PHE A 44 15.785 -7.456 -9.648 1.00 13.44 H new ATOM 0 HE2 PHE A 44 12.880 -8.734 -12.495 1.00 3.42 H new ATOM 0 HZ PHE A 44 14.885 -9.195 -11.141 1.00 44.02 H new ATOM 708 N ASP A 45 12.254 -2.197 -12.745 1.00 64.31 N ATOM 709 CA ASP A 45 11.567 -1.120 -13.448 1.00 20.03 C ATOM 710 C ASP A 45 10.174 -1.560 -13.888 1.00 64.31 C ATOM 711 O ASP A 45 9.181 -0.896 -13.594 1.00 53.25 O ATOM 712 CB ASP A 45 12.382 -0.673 -14.662 1.00 60.13 C ATOM 713 CG ASP A 45 13.855 -0.507 -14.342 1.00 74.12 C ATOM 714 OD1 ASP A 45 14.170 0.015 -13.252 1.00 40.34 O ATOM 715 OD2 ASP A 45 14.692 -0.900 -15.181 1.00 74.41 O ATOM 0 H ASP A 45 12.298 -3.076 -13.261 1.00 64.31 H new ATOM 0 HA ASP A 45 11.463 -0.280 -12.762 1.00 20.03 H new ATOM 0 HB2 ASP A 45 12.267 -1.404 -15.462 1.00 60.13 H new ATOM 0 HB3 ASP A 45 11.985 0.272 -15.034 1.00 60.13 H new ATOM 720 N SER A 46 10.110 -2.684 -14.595 1.00 25.10 N ATOM 721 CA SER A 46 8.840 -3.211 -15.080 1.00 42.43 C ATOM 722 C SER A 46 8.470 -4.497 -14.348 1.00 11.20 C ATOM 723 O SER A 46 9.335 -5.307 -14.015 1.00 21.42 O ATOM 724 CB SER A 46 8.914 -3.471 -16.586 1.00 52.11 C ATOM 725 OG SER A 46 7.622 -3.468 -17.168 1.00 13.30 O ATOM 0 H SER A 46 10.923 -3.247 -14.845 1.00 25.10 H new ATOM 0 HA SER A 46 8.068 -2.467 -14.884 1.00 42.43 H new ATOM 0 HB2 SER A 46 9.532 -2.708 -17.060 1.00 52.11 H new ATOM 0 HB3 SER A 46 9.397 -4.431 -16.769 1.00 52.11 H new ATOM 0 HG SER A 46 7.697 -3.635 -18.131 1.00 13.30 H new ATOM 731 N THR A 47 7.176 -4.678 -14.100 1.00 4.32 N ATOM 732 CA THR A 47 6.690 -5.863 -13.406 1.00 72.52 C ATOM 733 C THR A 47 6.910 -7.119 -14.242 1.00 40.24 C ATOM 734 O THR A 47 7.079 -8.212 -13.704 1.00 31.13 O ATOM 735 CB THR A 47 5.192 -5.742 -13.068 1.00 52.34 C ATOM 736 OG1 THR A 47 4.817 -4.362 -12.996 1.00 14.32 O ATOM 737 CG2 THR A 47 4.877 -6.428 -11.748 1.00 23.12 C ATOM 0 H THR A 47 6.446 -4.018 -14.370 1.00 4.32 H new ATOM 0 HA THR A 47 7.259 -5.942 -12.480 1.00 72.52 H new ATOM 0 HB THR A 47 4.623 -6.233 -13.858 1.00 52.34 H new ATOM 0 HG1 THR A 47 4.196 -4.230 -12.249 1.00 14.32 H new ATOM 0 HG21 THR A 47 3.813 -6.329 -11.531 1.00 23.12 H new ATOM 0 HG22 THR A 47 5.137 -7.484 -11.816 1.00 23.12 H new ATOM 0 HG23 THR A 47 5.455 -5.963 -10.949 1.00 23.12 H new ATOM 745 N GLU A 48 6.908 -6.954 -15.562 1.00 13.45 N ATOM 746 CA GLU A 48 7.107 -8.075 -16.471 1.00 65.45 C ATOM 747 C GLU A 48 8.368 -8.854 -16.107 1.00 3.11 C ATOM 748 O GLU A 48 8.322 -10.065 -15.896 1.00 20.42 O ATOM 749 CB GLU A 48 7.201 -7.579 -17.916 1.00 3.23 C ATOM 750 CG GLU A 48 6.816 -8.627 -18.946 1.00 13.10 C ATOM 751 CD GLU A 48 6.377 -8.017 -20.263 1.00 12.30 C ATOM 752 OE1 GLU A 48 7.249 -7.761 -21.119 1.00 1.42 O ATOM 753 OE2 GLU A 48 5.160 -7.796 -20.437 1.00 50.43 O ATOM 0 H GLU A 48 6.771 -6.055 -16.024 1.00 13.45 H new ATOM 0 HA GLU A 48 6.249 -8.741 -16.378 1.00 65.45 H new ATOM 0 HB2 GLU A 48 6.554 -6.710 -18.036 1.00 3.23 H new ATOM 0 HB3 GLU A 48 8.221 -7.247 -18.112 1.00 3.23 H new ATOM 0 HG2 GLU A 48 7.665 -9.288 -19.121 1.00 13.10 H new ATOM 0 HG3 GLU A 48 6.009 -9.243 -18.548 1.00 13.10 H new ATOM 760 N GLN A 49 9.492 -8.148 -16.036 1.00 24.32 N ATOM 761 CA GLN A 49 10.766 -8.773 -15.698 1.00 71.22 C ATOM 762 C GLN A 49 10.767 -9.260 -14.253 1.00 3.22 C ATOM 763 O GLN A 49 11.483 -10.200 -13.904 1.00 12.33 O ATOM 764 CB GLN A 49 11.916 -7.788 -15.918 1.00 75.43 C ATOM 765 CG GLN A 49 11.700 -6.442 -15.247 1.00 52.42 C ATOM 766 CD GLN A 49 12.992 -5.672 -15.055 1.00 13.03 C ATOM 767 OE1 GLN A 49 13.943 -6.174 -14.456 1.00 3.44 O ATOM 768 NE2 GLN A 49 13.032 -4.446 -15.563 1.00 40.03 N ATOM 0 H GLN A 49 9.547 -7.144 -16.208 1.00 24.32 H new ATOM 0 HA GLN A 49 10.904 -9.634 -16.352 1.00 71.22 H new ATOM 0 HB2 GLN A 49 12.838 -8.229 -15.540 1.00 75.43 H new ATOM 0 HB3 GLN A 49 12.051 -7.634 -16.988 1.00 75.43 H new ATOM 0 HG2 GLN A 49 11.013 -5.847 -15.848 1.00 52.42 H new ATOM 0 HG3 GLN A 49 11.225 -6.595 -14.278 1.00 52.42 H new ATOM 0 HE21 GLN A 49 12.220 -4.070 -16.052 1.00 40.03 H new ATOM 0 HE22 GLN A 49 13.875 -3.880 -15.464 1.00 40.03 H new ATOM 777 N LEU A 50 9.962 -8.615 -13.416 1.00 3.41 N ATOM 778 CA LEU A 50 9.871 -8.981 -12.007 1.00 35.31 C ATOM 779 C LEU A 50 9.532 -10.460 -11.850 1.00 71.32 C ATOM 780 O LEU A 50 10.271 -11.211 -11.214 1.00 74.44 O ATOM 781 CB LEU A 50 8.813 -8.127 -11.305 1.00 63.21 C ATOM 782 CG LEU A 50 8.941 -8.016 -9.785 1.00 50.24 C ATOM 783 CD1 LEU A 50 10.098 -7.102 -9.413 1.00 24.55 C ATOM 784 CD2 LEU A 50 7.642 -7.509 -9.177 1.00 14.22 C ATOM 0 H LEU A 50 9.363 -7.836 -13.689 1.00 3.41 H new ATOM 0 HA LEU A 50 10.842 -8.798 -11.546 1.00 35.31 H new ATOM 0 HB2 LEU A 50 8.847 -7.123 -11.727 1.00 63.21 H new ATOM 0 HB3 LEU A 50 7.830 -8.537 -11.538 1.00 63.21 H new ATOM 0 HG LEU A 50 9.145 -9.008 -9.383 1.00 50.24 H new ATOM 0 HD11 LEU A 50 10.174 -7.035 -8.328 1.00 24.55 H new ATOM 0 HD12 LEU A 50 11.026 -7.507 -9.817 1.00 24.55 H new ATOM 0 HD13 LEU A 50 9.925 -6.109 -9.827 1.00 24.55 H new ATOM 0 HD21 LEU A 50 7.751 -7.436 -8.095 1.00 14.22 H new ATOM 0 HD22 LEU A 50 7.409 -6.526 -9.585 1.00 14.22 H new ATOM 0 HD23 LEU A 50 6.834 -8.201 -9.415 1.00 14.22 H new ATOM 796 N GLU A 51 8.411 -10.871 -12.436 1.00 65.00 N ATOM 797 CA GLU A 51 7.977 -12.261 -12.362 1.00 14.11 C ATOM 798 C GLU A 51 8.921 -13.169 -13.144 1.00 40.15 C ATOM 799 O GLU A 51 9.269 -14.259 -12.691 1.00 2.12 O ATOM 800 CB GLU A 51 6.552 -12.402 -12.902 1.00 32.25 C ATOM 801 CG GLU A 51 5.549 -11.487 -12.220 1.00 1.35 C ATOM 802 CD GLU A 51 4.298 -11.272 -13.048 1.00 52.55 C ATOM 803 OE1 GLU A 51 4.428 -10.951 -14.248 1.00 50.31 O ATOM 804 OE2 GLU A 51 3.188 -11.424 -12.497 1.00 32.43 O ATOM 0 H GLU A 51 7.788 -10.262 -12.966 1.00 65.00 H new ATOM 0 HA GLU A 51 7.994 -12.565 -11.315 1.00 14.11 H new ATOM 0 HB2 GLU A 51 6.555 -12.191 -13.971 1.00 32.25 H new ATOM 0 HB3 GLU A 51 6.228 -13.436 -12.782 1.00 32.25 H new ATOM 0 HG2 GLU A 51 5.273 -11.912 -11.255 1.00 1.35 H new ATOM 0 HG3 GLU A 51 6.019 -10.524 -12.021 1.00 1.35 H new ATOM 811 N SER A 52 9.331 -12.711 -14.323 1.00 62.20 N ATOM 812 CA SER A 52 10.232 -13.483 -15.172 1.00 35.14 C ATOM 813 C SER A 52 11.476 -13.908 -14.398 1.00 32.30 C ATOM 814 O SER A 52 12.016 -14.993 -14.617 1.00 51.44 O ATOM 815 CB SER A 52 10.635 -12.665 -16.400 1.00 24.13 C ATOM 816 OG SER A 52 11.091 -13.506 -17.445 1.00 73.14 O ATOM 0 H SER A 52 9.054 -11.810 -14.712 1.00 62.20 H new ATOM 0 HA SER A 52 9.705 -14.380 -15.499 1.00 35.14 H new ATOM 0 HB2 SER A 52 9.784 -12.079 -16.746 1.00 24.13 H new ATOM 0 HB3 SER A 52 11.419 -11.958 -16.129 1.00 24.13 H new ATOM 0 HG SER A 52 11.341 -12.960 -18.219 1.00 73.14 H new ATOM 822 N TRP A 53 11.925 -13.047 -13.493 1.00 13.44 N ATOM 823 CA TRP A 53 13.106 -13.332 -12.686 1.00 33.14 C ATOM 824 C TRP A 53 12.901 -14.588 -11.846 1.00 34.01 C ATOM 825 O TRP A 53 13.707 -15.517 -11.893 1.00 44.15 O ATOM 826 CB TRP A 53 13.428 -12.144 -11.778 1.00 52.21 C ATOM 827 CG TRP A 53 14.230 -12.520 -10.569 1.00 34.10 C ATOM 828 CD1 TRP A 53 13.941 -12.221 -9.268 1.00 54.32 C ATOM 829 CD2 TRP A 53 15.453 -13.264 -10.549 1.00 52.24 C ATOM 830 NE1 TRP A 53 14.911 -12.734 -8.441 1.00 54.41 N ATOM 831 CE2 TRP A 53 15.849 -13.379 -9.202 1.00 50.34 C ATOM 832 CE3 TRP A 53 16.251 -13.846 -11.538 1.00 11.31 C ATOM 833 CZ2 TRP A 53 17.008 -14.050 -8.822 1.00 71.34 C ATOM 834 CZ3 TRP A 53 17.401 -14.512 -11.159 1.00 51.41 C ATOM 835 CH2 TRP A 53 17.770 -14.610 -9.811 1.00 64.31 C ATOM 0 H TRP A 53 11.489 -12.145 -13.299 1.00 13.44 H new ATOM 0 HA TRP A 53 13.944 -13.502 -13.362 1.00 33.14 H new ATOM 0 HB2 TRP A 53 13.977 -11.396 -12.351 1.00 52.21 H new ATOM 0 HB3 TRP A 53 12.496 -11.679 -11.457 1.00 52.21 H new ATOM 0 HD1 TRP A 53 13.077 -11.663 -8.938 1.00 54.32 H new ATOM 0 HE1 TRP A 53 14.929 -12.648 -7.425 1.00 54.41 H new ATOM 0 HE3 TRP A 53 15.974 -13.776 -12.580 1.00 11.31 H new ATOM 0 HZ2 TRP A 53 17.295 -14.126 -7.784 1.00 71.34 H new ATOM 0 HZ3 TRP A 53 18.026 -14.965 -11.915 1.00 51.41 H new ATOM 0 HH2 TRP A 53 18.674 -15.138 -9.547 1.00 64.31 H new ATOM 846 N PHE A 54 11.817 -14.611 -11.078 1.00 14.54 N ATOM 847 CA PHE A 54 11.506 -15.753 -10.226 1.00 64.24 C ATOM 848 C PHE A 54 10.904 -16.893 -11.044 1.00 4.44 C ATOM 849 O PHE A 54 10.686 -17.991 -10.531 1.00 51.42 O ATOM 850 CB PHE A 54 10.539 -15.341 -9.115 1.00 54.34 C ATOM 851 CG PHE A 54 10.178 -16.465 -8.186 1.00 45.43 C ATOM 852 CD1 PHE A 54 11.122 -16.995 -7.321 1.00 14.00 C ATOM 853 CD2 PHE A 54 8.897 -16.991 -8.179 1.00 12.03 C ATOM 854 CE1 PHE A 54 10.793 -18.029 -6.464 1.00 45.04 C ATOM 855 CE2 PHE A 54 8.563 -18.025 -7.324 1.00 53.51 C ATOM 856 CZ PHE A 54 9.512 -18.545 -6.467 1.00 24.01 C ATOM 0 H PHE A 54 11.138 -13.851 -11.028 1.00 14.54 H new ATOM 0 HA PHE A 54 12.435 -16.102 -9.776 1.00 64.24 H new ATOM 0 HB2 PHE A 54 10.986 -14.532 -8.537 1.00 54.34 H new ATOM 0 HB3 PHE A 54 9.628 -14.946 -9.565 1.00 54.34 H new ATOM 0 HD1 PHE A 54 12.126 -16.596 -7.316 1.00 14.00 H new ATOM 0 HD2 PHE A 54 8.151 -16.589 -8.849 1.00 12.03 H new ATOM 0 HE1 PHE A 54 11.537 -18.433 -5.793 1.00 45.04 H new ATOM 0 HE2 PHE A 54 7.560 -18.426 -7.327 1.00 53.51 H new ATOM 0 HZ PHE A 54 9.253 -19.354 -5.800 1.00 24.01 H new ATOM 866 N TYR A 55 10.638 -16.623 -12.317 1.00 2.23 N ATOM 867 CA TYR A 55 10.059 -17.623 -13.205 1.00 34.40 C ATOM 868 C TYR A 55 11.028 -17.982 -14.327 1.00 72.42 C ATOM 869 O TYR A 55 11.091 -17.302 -15.350 1.00 51.30 O ATOM 870 CB TYR A 55 8.744 -17.111 -13.796 1.00 20.02 C ATOM 871 CG TYR A 55 7.910 -18.192 -14.445 1.00 32.22 C ATOM 872 CD1 TYR A 55 8.370 -18.873 -15.565 1.00 61.42 C ATOM 873 CD2 TYR A 55 6.661 -18.532 -13.939 1.00 24.02 C ATOM 874 CE1 TYR A 55 7.611 -19.861 -16.162 1.00 62.51 C ATOM 875 CE2 TYR A 55 5.896 -19.520 -14.528 1.00 44.32 C ATOM 876 CZ TYR A 55 6.375 -20.181 -15.640 1.00 24.33 C ATOM 877 OH TYR A 55 5.616 -21.165 -16.231 1.00 13.24 O ATOM 0 H TYR A 55 10.814 -15.720 -12.757 1.00 2.23 H new ATOM 0 HA TYR A 55 9.861 -18.521 -12.619 1.00 34.40 H new ATOM 0 HB2 TYR A 55 8.160 -16.638 -13.006 1.00 20.02 H new ATOM 0 HB3 TYR A 55 8.963 -16.340 -14.535 1.00 20.02 H new ATOM 0 HD1 TYR A 55 9.338 -18.626 -15.976 1.00 61.42 H new ATOM 0 HD2 TYR A 55 6.282 -18.015 -13.070 1.00 24.02 H new ATOM 0 HE1 TYR A 55 7.983 -20.380 -17.033 1.00 62.51 H new ATOM 0 HE2 TYR A 55 4.929 -19.773 -14.120 1.00 44.32 H new ATOM 0 HH TYR A 55 4.774 -21.268 -15.740 1.00 13.24 H new ATOM 887 N GLY A 56 11.782 -19.059 -14.127 1.00 43.21 N ATOM 888 CA GLY A 56 12.738 -19.491 -15.130 1.00 23.44 C ATOM 889 C GLY A 56 14.023 -20.015 -14.518 1.00 52.22 C ATOM 890 O GLY A 56 14.757 -20.774 -15.152 1.00 72.02 O ATOM 0 H GLY A 56 11.748 -19.640 -13.289 1.00 43.21 H new ATOM 0 HA2 GLY A 56 12.288 -20.270 -15.745 1.00 23.44 H new ATOM 0 HA3 GLY A 56 12.968 -18.656 -15.792 1.00 23.44 H new ATOM 894 N LEU A 57 14.297 -19.608 -13.284 1.00 1.23 N ATOM 895 CA LEU A 57 15.504 -20.039 -12.586 1.00 75.42 C ATOM 896 C LEU A 57 15.642 -21.558 -12.627 1.00 3.23 C ATOM 897 O LEU A 57 14.665 -22.291 -12.780 1.00 63.21 O ATOM 898 CB LEU A 57 15.477 -19.557 -11.135 1.00 5.21 C ATOM 899 CG LEU A 57 15.674 -18.055 -10.923 1.00 62.22 C ATOM 900 CD1 LEU A 57 15.018 -17.609 -9.626 1.00 51.51 C ATOM 901 CD2 LEU A 57 17.155 -17.706 -10.921 1.00 64.44 C ATOM 0 H LEU A 57 13.700 -18.980 -12.746 1.00 1.23 H new ATOM 0 HA LEU A 57 16.364 -19.600 -13.092 1.00 75.42 H new ATOM 0 HB2 LEU A 57 14.521 -19.843 -10.696 1.00 5.21 H new ATOM 0 HB3 LEU A 57 16.253 -20.087 -10.583 1.00 5.21 H new ATOM 0 HG LEU A 57 15.198 -17.526 -11.748 1.00 62.22 H new ATOM 0 HD11 LEU A 57 15.168 -16.538 -9.492 1.00 51.51 H new ATOM 0 HD12 LEU A 57 13.950 -17.823 -9.666 1.00 51.51 H new ATOM 0 HD13 LEU A 57 15.465 -18.146 -8.789 1.00 51.51 H new ATOM 0 HD21 LEU A 57 17.276 -16.633 -10.769 1.00 64.44 H new ATOM 0 HD22 LEU A 57 17.655 -18.245 -10.116 1.00 64.44 H new ATOM 0 HD23 LEU A 57 17.597 -17.989 -11.876 1.00 64.44 H new ATOM 913 N PRO A 58 16.885 -22.043 -12.484 1.00 13.20 N ATOM 914 CA PRO A 58 17.181 -23.478 -12.498 1.00 75.51 C ATOM 915 C PRO A 58 16.654 -24.191 -11.257 1.00 4.12 C ATOM 916 O PRO A 58 16.679 -25.418 -11.176 1.00 71.34 O ATOM 917 CB PRO A 58 18.710 -23.525 -12.533 1.00 61.14 C ATOM 918 CG PRO A 58 19.143 -22.239 -11.919 1.00 54.54 C ATOM 919 CD PRO A 58 18.096 -21.227 -12.297 1.00 42.13 C ATOM 0 HA PRO A 58 16.706 -23.984 -13.339 1.00 75.51 H new ATOM 0 HB2 PRO A 58 19.093 -24.379 -11.974 1.00 61.14 H new ATOM 0 HB3 PRO A 58 19.080 -23.621 -13.554 1.00 61.14 H new ATOM 0 HG2 PRO A 58 19.224 -22.331 -10.836 1.00 54.54 H new ATOM 0 HG3 PRO A 58 20.125 -21.941 -12.288 1.00 54.54 H new ATOM 0 HD2 PRO A 58 17.960 -20.479 -11.516 1.00 42.13 H new ATOM 0 HD3 PRO A 58 18.365 -20.692 -13.208 1.00 42.13 H new ATOM 927 N GLY A 59 16.178 -23.412 -10.290 1.00 60.10 N ATOM 928 CA GLY A 59 15.652 -23.987 -9.066 1.00 23.13 C ATOM 929 C GLY A 59 14.174 -24.308 -9.164 1.00 1.22 C ATOM 930 O GLY A 59 13.513 -23.929 -10.130 1.00 55.22 O ATOM 0 H GLY A 59 16.147 -22.393 -10.333 1.00 60.10 H new ATOM 0 HA2 GLY A 59 16.203 -24.897 -8.830 1.00 23.13 H new ATOM 0 HA3 GLY A 59 15.816 -23.292 -8.242 1.00 23.13 H new ATOM 934 N SER A 60 13.655 -25.010 -8.162 1.00 15.44 N ATOM 935 CA SER A 60 12.246 -25.386 -8.142 1.00 31.23 C ATOM 936 C SER A 60 11.651 -25.189 -6.751 1.00 35.21 C ATOM 937 O SER A 60 12.103 -25.791 -5.778 1.00 65.44 O ATOM 938 CB SER A 60 12.079 -26.843 -8.579 1.00 5.15 C ATOM 939 OG SER A 60 12.884 -27.706 -7.793 1.00 55.11 O ATOM 0 H SER A 60 14.189 -25.330 -7.354 1.00 15.44 H new ATOM 0 HA SER A 60 11.713 -24.741 -8.841 1.00 31.23 H new ATOM 0 HB2 SER A 60 11.033 -27.135 -8.490 1.00 5.15 H new ATOM 0 HB3 SER A 60 12.350 -26.944 -9.630 1.00 5.15 H new ATOM 0 HG SER A 60 13.000 -27.321 -6.899 1.00 55.11 H new ATOM 945 N GLY A 61 10.631 -24.340 -6.665 1.00 72.22 N ATOM 946 CA GLY A 61 9.989 -24.078 -5.390 1.00 42.22 C ATOM 947 C GLY A 61 10.982 -23.701 -4.308 1.00 53.24 C ATOM 948 O GLY A 61 11.697 -22.705 -4.431 1.00 31.40 O ATOM 0 H GLY A 61 10.238 -23.829 -7.456 1.00 72.22 H new ATOM 0 HA2 GLY A 61 9.264 -23.273 -5.510 1.00 42.22 H new ATOM 0 HA3 GLY A 61 9.434 -24.963 -5.077 1.00 42.22 H new ATOM 952 N LEU A 62 11.026 -24.496 -3.245 1.00 54.21 N ATOM 953 CA LEU A 62 11.937 -24.240 -2.135 1.00 41.43 C ATOM 954 C LEU A 62 13.370 -24.079 -2.633 1.00 52.44 C ATOM 955 O LEU A 62 14.166 -23.353 -2.040 1.00 4.12 O ATOM 956 CB LEU A 62 11.864 -25.378 -1.116 1.00 63.24 C ATOM 957 CG LEU A 62 10.945 -25.147 0.083 1.00 32.54 C ATOM 958 CD1 LEU A 62 9.521 -25.567 -0.247 1.00 12.11 C ATOM 959 CD2 LEU A 62 11.457 -25.904 1.301 1.00 53.42 C ATOM 0 H LEU A 62 10.441 -25.324 -3.128 1.00 54.21 H new ATOM 0 HA LEU A 62 11.632 -23.310 -1.654 1.00 41.43 H new ATOM 0 HB2 LEU A 62 11.535 -26.280 -1.632 1.00 63.24 H new ATOM 0 HB3 LEU A 62 12.870 -25.572 -0.745 1.00 63.24 H new ATOM 0 HG LEU A 62 10.944 -24.082 0.315 1.00 32.54 H new ATOM 0 HD11 LEU A 62 8.881 -25.395 0.619 1.00 12.11 H new ATOM 0 HD12 LEU A 62 9.155 -24.982 -1.091 1.00 12.11 H new ATOM 0 HD13 LEU A 62 9.505 -26.626 -0.506 1.00 12.11 H new ATOM 0 HD21 LEU A 62 10.791 -25.728 2.145 1.00 53.42 H new ATOM 0 HD22 LEU A 62 11.488 -26.971 1.080 1.00 53.42 H new ATOM 0 HD23 LEU A 62 12.459 -25.556 1.551 1.00 53.42 H new ATOM 971 N GLY A 63 13.690 -24.760 -3.730 1.00 1.44 N ATOM 972 CA GLY A 63 15.026 -24.677 -4.291 1.00 11.05 C ATOM 973 C GLY A 63 15.322 -23.314 -4.885 1.00 30.24 C ATOM 974 O GLY A 63 16.475 -22.884 -4.924 1.00 71.12 O ATOM 0 H GLY A 63 13.048 -25.367 -4.240 1.00 1.44 H new ATOM 0 HA2 GLY A 63 15.757 -24.898 -3.514 1.00 11.05 H new ATOM 0 HA3 GLY A 63 15.141 -25.439 -5.062 1.00 11.05 H new ATOM 978 N ARG A 64 14.279 -22.634 -5.349 1.00 42.22 N ATOM 979 CA ARG A 64 14.434 -21.313 -5.947 1.00 73.00 C ATOM 980 C ARG A 64 14.733 -20.265 -4.879 1.00 54.44 C ATOM 981 O ARG A 64 15.060 -19.120 -5.194 1.00 54.11 O ATOM 982 CB ARG A 64 13.169 -20.927 -6.716 1.00 50.12 C ATOM 983 CG ARG A 64 13.156 -21.419 -8.154 1.00 64.41 C ATOM 984 CD ARG A 64 12.205 -20.602 -9.014 1.00 62.55 C ATOM 985 NE ARG A 64 11.164 -21.431 -9.617 1.00 43.34 N ATOM 986 CZ ARG A 64 10.075 -21.829 -8.970 1.00 12.30 C ATOM 987 NH1 ARG A 64 9.885 -21.476 -7.706 1.00 55.42 N ATOM 988 NH2 ARG A 64 9.173 -22.581 -9.587 1.00 34.11 N ATOM 0 H ARG A 64 13.318 -22.975 -5.323 1.00 42.22 H new ATOM 0 HA ARG A 64 15.275 -21.351 -6.640 1.00 73.00 H new ATOM 0 HB2 ARG A 64 12.300 -21.330 -6.195 1.00 50.12 H new ATOM 0 HB3 ARG A 64 13.068 -19.842 -6.711 1.00 50.12 H new ATOM 0 HG2 ARG A 64 14.163 -21.362 -8.568 1.00 64.41 H new ATOM 0 HG3 ARG A 64 12.860 -22.468 -8.178 1.00 64.41 H new ATOM 0 HD2 ARG A 64 11.743 -19.825 -8.405 1.00 62.55 H new ATOM 0 HD3 ARG A 64 12.768 -20.099 -9.800 1.00 62.55 H new ATOM 0 HE ARG A 64 11.280 -21.720 -10.588 1.00 43.34 H new ATOM 0 HH11 ARG A 64 10.576 -20.897 -7.229 1.00 55.42 H new ATOM 0 HH12 ARG A 64 9.048 -21.783 -7.211 1.00 55.42 H new ATOM 0 HH21 ARG A 64 9.316 -22.854 -10.559 1.00 34.11 H new ATOM 0 HH22 ARG A 64 8.337 -22.886 -9.089 1.00 34.11 H new ATOM 1002 N ILE A 65 14.618 -20.664 -3.617 1.00 54.42 N ATOM 1003 CA ILE A 65 14.876 -19.759 -2.504 1.00 41.21 C ATOM 1004 C ILE A 65 16.373 -19.588 -2.270 1.00 63.44 C ATOM 1005 O ILE A 65 16.828 -18.527 -1.845 1.00 33.01 O ATOM 1006 CB ILE A 65 14.219 -20.262 -1.205 1.00 62.32 C ATOM 1007 CG1 ILE A 65 12.737 -20.559 -1.440 1.00 33.24 C ATOM 1008 CG2 ILE A 65 14.391 -19.238 -0.093 1.00 54.05 C ATOM 1009 CD1 ILE A 65 11.872 -20.317 -0.222 1.00 41.33 C ATOM 0 H ILE A 65 14.348 -21.608 -3.340 1.00 54.42 H new ATOM 0 HA ILE A 65 14.440 -18.797 -2.773 1.00 41.21 H new ATOM 0 HB ILE A 65 14.711 -21.185 -0.900 1.00 62.32 H new ATOM 0 HG12 ILE A 65 12.376 -19.939 -2.261 1.00 33.24 H new ATOM 0 HG13 ILE A 65 12.628 -21.597 -1.753 1.00 33.24 H new ATOM 0 HG21 ILE A 65 13.921 -19.608 0.818 1.00 54.05 H new ATOM 0 HG22 ILE A 65 15.453 -19.072 0.088 1.00 54.05 H new ATOM 0 HG23 ILE A 65 13.922 -18.299 -0.387 1.00 54.05 H new ATOM 0 HD11 ILE A 65 10.834 -20.548 -0.461 1.00 41.33 H new ATOM 0 HD12 ILE A 65 12.207 -20.956 0.595 1.00 41.33 H new ATOM 0 HD13 ILE A 65 11.951 -19.272 0.079 1.00 41.33 H new ATOM 1021 N GLU A 66 17.135 -20.641 -2.553 1.00 54.14 N ATOM 1022 CA GLU A 66 18.581 -20.607 -2.375 1.00 3.53 C ATOM 1023 C GLU A 66 19.265 -19.983 -3.588 1.00 72.24 C ATOM 1024 O GLU A 66 20.369 -19.451 -3.487 1.00 23.24 O ATOM 1025 CB GLU A 66 19.122 -22.019 -2.140 1.00 42.53 C ATOM 1026 CG GLU A 66 18.855 -22.972 -3.293 1.00 13.13 C ATOM 1027 CD GLU A 66 19.859 -24.106 -3.357 1.00 21.12 C ATOM 1028 OE1 GLU A 66 20.901 -23.938 -4.025 1.00 11.02 O ATOM 1029 OE2 GLU A 66 19.604 -25.161 -2.740 1.00 33.12 O ATOM 0 H GLU A 66 16.774 -21.527 -2.906 1.00 54.14 H new ATOM 0 HA GLU A 66 18.799 -19.992 -1.502 1.00 3.53 H new ATOM 0 HB2 GLU A 66 20.197 -21.963 -1.967 1.00 42.53 H new ATOM 0 HB3 GLU A 66 18.674 -22.425 -1.233 1.00 42.53 H new ATOM 0 HG2 GLU A 66 17.851 -23.385 -3.193 1.00 13.13 H new ATOM 0 HG3 GLU A 66 18.879 -22.417 -4.231 1.00 13.13 H new ATOM 1036 N ASN A 67 18.599 -20.054 -4.736 1.00 70.24 N ATOM 1037 CA ASN A 67 19.142 -19.498 -5.971 1.00 31.34 C ATOM 1038 C ASN A 67 18.769 -18.026 -6.114 1.00 53.04 C ATOM 1039 O ASN A 67 19.635 -17.169 -6.286 1.00 24.33 O ATOM 1040 CB ASN A 67 18.630 -20.286 -7.178 1.00 72.10 C ATOM 1041 CG ASN A 67 19.420 -21.558 -7.416 1.00 65.11 C ATOM 1042 OD1 ASN A 67 18.999 -22.647 -7.025 1.00 54.35 O ATOM 1043 ND2 ASN A 67 20.574 -21.425 -8.060 1.00 24.52 N ATOM 0 H ASN A 67 17.683 -20.491 -4.837 1.00 70.24 H new ATOM 0 HA ASN A 67 20.228 -19.577 -5.929 1.00 31.34 H new ATOM 0 HB2 ASN A 67 17.580 -20.537 -7.026 1.00 72.10 H new ATOM 0 HB3 ASN A 67 18.682 -19.658 -8.067 1.00 72.10 H new ATOM 0 HD21 ASN A 67 21.150 -22.245 -8.249 1.00 24.52 H new ATOM 0 HD22 ASN A 67 20.884 -20.503 -8.366 1.00 24.52 H new ATOM 1050 N ALA A 68 17.473 -17.740 -6.043 1.00 32.01 N ATOM 1051 CA ALA A 68 16.985 -16.372 -6.162 1.00 53.23 C ATOM 1052 C ALA A 68 17.601 -15.474 -5.095 1.00 43.21 C ATOM 1053 O ALA A 68 18.238 -14.469 -5.409 1.00 11.52 O ATOM 1054 CB ALA A 68 15.467 -16.343 -6.066 1.00 55.35 C ATOM 0 H ALA A 68 16.742 -18.438 -5.904 1.00 32.01 H new ATOM 0 HA ALA A 68 17.284 -15.990 -7.138 1.00 53.23 H new ATOM 0 HB1 ALA A 68 15.116 -15.315 -6.156 1.00 55.35 H new ATOM 0 HB2 ALA A 68 15.040 -16.944 -6.869 1.00 55.35 H new ATOM 0 HB3 ALA A 68 15.155 -16.749 -5.104 1.00 55.35 H new ATOM 1060 N MET A 69 17.407 -15.843 -3.833 1.00 64.33 N ATOM 1061 CA MET A 69 17.946 -15.070 -2.720 1.00 35.41 C ATOM 1062 C MET A 69 19.440 -14.825 -2.901 1.00 0.52 C ATOM 1063 O MET A 69 19.920 -13.705 -2.726 1.00 73.33 O ATOM 1064 CB MET A 69 17.693 -15.797 -1.397 1.00 72.15 C ATOM 1065 CG MET A 69 18.201 -15.040 -0.181 1.00 64.23 C ATOM 1066 SD MET A 69 18.813 -16.136 1.113 1.00 31.32 S ATOM 1067 CE MET A 69 17.305 -16.982 1.581 1.00 70.11 C ATOM 0 H MET A 69 16.881 -16.672 -3.556 1.00 64.33 H new ATOM 0 HA MET A 69 17.438 -14.106 -2.700 1.00 35.41 H new ATOM 0 HB2 MET A 69 16.623 -15.970 -1.286 1.00 72.15 H new ATOM 0 HB3 MET A 69 18.172 -16.775 -1.432 1.00 72.15 H new ATOM 0 HG2 MET A 69 18.999 -14.363 -0.486 1.00 64.23 H new ATOM 0 HG3 MET A 69 17.397 -14.424 0.221 1.00 64.23 H new ATOM 0 HE1 MET A 69 17.398 -17.355 2.601 1.00 70.11 H new ATOM 0 HE2 MET A 69 16.466 -16.289 1.523 1.00 70.11 H new ATOM 0 HE3 MET A 69 17.132 -17.818 0.904 1.00 70.11 H new ATOM 1077 N ASN A 70 20.170 -15.878 -3.251 1.00 64.14 N ATOM 1078 CA ASN A 70 21.611 -15.776 -3.455 1.00 10.10 C ATOM 1079 C ASN A 70 21.935 -14.772 -4.558 1.00 33.44 C ATOM 1080 O ASN A 70 23.026 -14.206 -4.593 1.00 44.02 O ATOM 1081 CB ASN A 70 22.195 -17.145 -3.808 1.00 65.04 C ATOM 1082 CG ASN A 70 23.644 -17.059 -4.250 1.00 53.21 C ATOM 1083 OD1 ASN A 70 24.558 -17.088 -3.426 1.00 42.54 O ATOM 1084 ND2 ASN A 70 23.858 -16.952 -5.556 1.00 63.22 N ATOM 0 H ASN A 70 19.788 -16.812 -3.399 1.00 64.14 H new ATOM 0 HA ASN A 70 22.060 -15.425 -2.526 1.00 10.10 H new ATOM 0 HB2 ASN A 70 22.120 -17.803 -2.942 1.00 65.04 H new ATOM 0 HB3 ASN A 70 21.602 -17.596 -4.603 1.00 65.04 H new ATOM 0 HD21 ASN A 70 24.811 -16.890 -5.913 1.00 63.22 H new ATOM 0 HD22 ASN A 70 23.069 -16.932 -6.202 1.00 63.22 H new ATOM 1091 N GLU A 71 20.977 -14.558 -5.455 1.00 4.23 N ATOM 1092 CA GLU A 71 21.161 -13.623 -6.558 1.00 44.43 C ATOM 1093 C GLU A 71 20.783 -12.205 -6.139 1.00 74.01 C ATOM 1094 O GLU A 71 21.563 -11.267 -6.307 1.00 70.54 O ATOM 1095 CB GLU A 71 20.323 -14.051 -7.764 1.00 54.12 C ATOM 1096 CG GLU A 71 20.584 -13.224 -9.012 1.00 63.30 C ATOM 1097 CD GLU A 71 22.057 -12.931 -9.219 1.00 65.02 C ATOM 1098 OE1 GLU A 71 22.845 -13.894 -9.328 1.00 41.22 O ATOM 1099 OE2 GLU A 71 22.422 -11.738 -9.273 1.00 4.23 O ATOM 0 H GLU A 71 20.067 -15.019 -5.439 1.00 4.23 H new ATOM 0 HA GLU A 71 22.215 -13.632 -6.836 1.00 44.43 H new ATOM 0 HB2 GLU A 71 20.527 -15.099 -7.984 1.00 54.12 H new ATOM 0 HB3 GLU A 71 19.267 -13.979 -7.505 1.00 54.12 H new ATOM 0 HG2 GLU A 71 20.197 -13.754 -9.882 1.00 63.30 H new ATOM 0 HG3 GLU A 71 20.037 -12.284 -8.942 1.00 63.30 H new ATOM 1106 N ILE A 72 19.580 -12.057 -5.593 1.00 62.25 N ATOM 1107 CA ILE A 72 19.098 -10.755 -5.150 1.00 30.21 C ATOM 1108 C ILE A 72 19.940 -10.221 -3.997 1.00 3.35 C ATOM 1109 O ILE A 72 19.992 -9.014 -3.759 1.00 43.14 O ATOM 1110 CB ILE A 72 17.624 -10.822 -4.707 1.00 4.51 C ATOM 1111 CG1 ILE A 72 16.739 -11.275 -5.870 1.00 5.21 C ATOM 1112 CG2 ILE A 72 17.168 -9.468 -4.183 1.00 35.55 C ATOM 1113 CD1 ILE A 72 16.843 -10.386 -7.090 1.00 21.51 C ATOM 0 H ILE A 72 18.922 -12.823 -5.447 1.00 62.25 H new ATOM 0 HA ILE A 72 19.183 -10.080 -6.002 1.00 30.21 H new ATOM 0 HB ILE A 72 17.534 -11.551 -3.902 1.00 4.51 H new ATOM 0 HG12 ILE A 72 17.011 -12.293 -6.148 1.00 5.21 H new ATOM 0 HG13 ILE A 72 15.701 -11.302 -5.537 1.00 5.21 H new ATOM 0 HG21 ILE A 72 16.125 -9.530 -3.874 1.00 35.55 H new ATOM 0 HG22 ILE A 72 17.783 -9.182 -3.330 1.00 35.55 H new ATOM 0 HG23 ILE A 72 17.269 -8.720 -4.970 1.00 35.55 H new ATOM 0 HD11 ILE A 72 16.189 -10.767 -7.875 1.00 21.51 H new ATOM 0 HD12 ILE A 72 16.542 -9.372 -6.828 1.00 21.51 H new ATOM 0 HD13 ILE A 72 17.873 -10.378 -7.448 1.00 21.51 H new ATOM 1125 N SER A 73 20.600 -11.127 -3.283 1.00 63.51 N ATOM 1126 CA SER A 73 21.440 -10.748 -2.153 1.00 15.23 C ATOM 1127 C SER A 73 22.872 -10.483 -2.605 1.00 3.42 C ATOM 1128 O SER A 73 23.755 -10.225 -1.787 1.00 3.15 O ATOM 1129 CB SER A 73 21.424 -11.846 -1.087 1.00 52.42 C ATOM 1130 OG SER A 73 21.800 -11.333 0.179 1.00 14.41 O ATOM 0 H SER A 73 20.569 -12.130 -3.467 1.00 63.51 H new ATOM 0 HA SER A 73 21.037 -9.830 -1.725 1.00 15.23 H new ATOM 0 HB2 SER A 73 20.427 -12.282 -1.025 1.00 52.42 H new ATOM 0 HB3 SER A 73 22.105 -12.647 -1.375 1.00 52.42 H new ATOM 0 HG SER A 73 22.599 -10.774 0.081 1.00 14.41 H new ATOM 1136 N ARG A 74 23.095 -10.548 -3.913 1.00 51.04 N ATOM 1137 CA ARG A 74 24.420 -10.316 -4.476 1.00 30.45 C ATOM 1138 C ARG A 74 24.969 -8.963 -4.035 1.00 14.53 C ATOM 1139 O ARG A 74 26.154 -8.832 -3.728 1.00 53.23 O ATOM 1140 CB ARG A 74 24.368 -10.385 -6.003 1.00 25.01 C ATOM 1141 CG ARG A 74 24.450 -11.800 -6.552 1.00 43.11 C ATOM 1142 CD ARG A 74 25.799 -12.436 -6.255 1.00 2.24 C ATOM 1143 NE ARG A 74 26.070 -13.577 -7.124 1.00 71.43 N ATOM 1144 CZ ARG A 74 27.115 -14.384 -6.975 1.00 1.41 C ATOM 1145 NH1 ARG A 74 27.983 -14.175 -5.995 1.00 11.54 N ATOM 1146 NH2 ARG A 74 27.293 -15.402 -7.807 1.00 4.31 N ATOM 0 H ARG A 74 22.375 -10.760 -4.604 1.00 51.04 H new ATOM 0 HA ARG A 74 25.086 -11.096 -4.107 1.00 30.45 H new ATOM 0 HB2 ARG A 74 23.443 -9.924 -6.348 1.00 25.01 H new ATOM 0 HB3 ARG A 74 25.189 -9.797 -6.413 1.00 25.01 H new ATOM 0 HG2 ARG A 74 23.657 -12.407 -6.116 1.00 43.11 H new ATOM 0 HG3 ARG A 74 24.284 -11.784 -7.629 1.00 43.11 H new ATOM 0 HD2 ARG A 74 26.586 -11.692 -6.379 1.00 2.24 H new ATOM 0 HD3 ARG A 74 25.826 -12.759 -5.214 1.00 2.24 H new ATOM 0 HE ARG A 74 25.421 -13.765 -7.888 1.00 71.43 H new ATOM 0 HH11 ARG A 74 27.849 -13.393 -5.353 1.00 11.54 H new ATOM 0 HH12 ARG A 74 28.784 -14.796 -5.883 1.00 11.54 H new ATOM 0 HH21 ARG A 74 26.627 -15.566 -8.562 1.00 4.31 H new ATOM 0 HH22 ARG A 74 28.096 -16.021 -7.691 1.00 4.31 H new ATOM 1160 N ARG A 75 24.099 -7.958 -4.006 1.00 35.31 N ATOM 1161 CA ARG A 75 24.496 -6.614 -3.605 1.00 21.35 C ATOM 1162 C ARG A 75 24.384 -6.443 -2.092 1.00 54.25 C ATOM 1163 O ARG A 75 23.555 -7.083 -1.446 1.00 40.11 O ATOM 1164 CB ARG A 75 23.630 -5.571 -4.313 1.00 5.53 C ATOM 1165 CG ARG A 75 24.237 -4.177 -4.315 1.00 13.30 C ATOM 1166 CD ARG A 75 25.075 -3.936 -5.561 1.00 1.25 C ATOM 1167 NE ARG A 75 26.466 -4.337 -5.370 1.00 23.50 N ATOM 1168 CZ ARG A 75 27.395 -4.240 -6.314 1.00 63.14 C ATOM 1169 NH1 ARG A 75 27.083 -3.757 -7.509 1.00 11.42 N ATOM 1170 NH2 ARG A 75 28.640 -4.626 -6.065 1.00 31.32 N ATOM 0 H ARG A 75 23.114 -8.050 -4.256 1.00 35.31 H new ATOM 0 HA ARG A 75 25.537 -6.468 -3.894 1.00 21.35 H new ATOM 0 HB2 ARG A 75 23.464 -5.887 -5.343 1.00 5.53 H new ATOM 0 HB3 ARG A 75 22.654 -5.533 -3.830 1.00 5.53 H new ATOM 0 HG2 ARG A 75 23.442 -3.433 -4.260 1.00 13.30 H new ATOM 0 HG3 ARG A 75 24.857 -4.048 -3.428 1.00 13.30 H new ATOM 0 HD2 ARG A 75 24.649 -4.491 -6.397 1.00 1.25 H new ATOM 0 HD3 ARG A 75 25.035 -2.879 -5.826 1.00 1.25 H new ATOM 0 HE ARG A 75 26.739 -4.712 -4.462 1.00 23.50 H new ATOM 0 HH11 ARG A 75 26.127 -3.459 -7.705 1.00 11.42 H new ATOM 0 HH12 ARG A 75 27.799 -3.684 -8.232 1.00 11.42 H new ATOM 0 HH21 ARG A 75 28.885 -4.998 -5.147 1.00 31.32 H new ATOM 0 HH22 ARG A 75 29.352 -4.551 -6.791 1.00 31.32 H new ATOM 1184 N GLU A 76 25.223 -5.575 -1.536 1.00 63.13 N ATOM 1185 CA GLU A 76 25.218 -5.321 -0.100 1.00 62.34 C ATOM 1186 C GLU A 76 23.813 -4.979 0.387 1.00 41.44 C ATOM 1187 O GLU A 76 22.917 -4.707 -0.412 1.00 23.14 O ATOM 1188 CB GLU A 76 26.180 -4.182 0.242 1.00 5.00 C ATOM 1189 CG GLU A 76 27.612 -4.640 0.463 1.00 22.30 C ATOM 1190 CD GLU A 76 28.230 -5.244 -0.783 1.00 64.01 C ATOM 1191 OE1 GLU A 76 28.144 -4.609 -1.855 1.00 12.21 O ATOM 1192 OE2 GLU A 76 28.800 -6.351 -0.687 1.00 1.12 O ATOM 0 H GLU A 76 25.914 -5.036 -2.058 1.00 63.13 H new ATOM 0 HA GLU A 76 25.548 -6.229 0.405 1.00 62.34 H new ATOM 0 HB2 GLU A 76 26.162 -3.449 -0.564 1.00 5.00 H new ATOM 0 HB3 GLU A 76 25.826 -3.677 1.141 1.00 5.00 H new ATOM 0 HG2 GLU A 76 28.215 -3.792 0.788 1.00 22.30 H new ATOM 0 HG3 GLU A 76 27.634 -5.375 1.268 1.00 22.30 H new ATOM 1199 N ASN A 77 23.629 -4.994 1.703 1.00 62.32 N ATOM 1200 CA ASN A 77 22.333 -4.687 2.297 1.00 4.42 C ATOM 1201 C ASN A 77 22.405 -3.408 3.126 1.00 2.13 C ATOM 1202 O ASN A 77 23.478 -2.962 3.534 1.00 30.44 O ATOM 1203 CB ASN A 77 21.861 -5.849 3.172 1.00 24.44 C ATOM 1204 CG ASN A 77 21.098 -6.895 2.382 1.00 14.44 C ATOM 1205 OD1 ASN A 77 20.099 -6.452 1.627 1.00 11.51 O flip ATOM 1206 ND2 ASN A 77 21.402 -8.086 2.451 1.00 65.15 N flip ATOM 0 H ASN A 77 24.361 -5.215 2.378 1.00 62.32 H new ATOM 0 HA ASN A 77 21.617 -4.536 1.489 1.00 4.42 H new ATOM 0 HB2 ASN A 77 22.723 -6.315 3.648 1.00 24.44 H new ATOM 0 HB3 ASN A 77 21.225 -5.465 3.970 1.00 24.44 H new ATOM 0 HD21 ASN A 77 22.177 -8.381 3.044 1.00 65.15 H new ATOM 0 HD22 ASN A 77 20.878 -8.778 1.915 1.00 65.15 H new ATOM 1213 N PRO A 78 21.236 -2.802 3.383 1.00 60.54 N ATOM 1214 CA PRO A 78 21.139 -1.567 4.166 1.00 22.31 C ATOM 1215 C PRO A 78 21.459 -1.789 5.640 1.00 23.43 C ATOM 1216 O PRO A 78 22.041 -0.925 6.296 1.00 32.01 O ATOM 1217 CB PRO A 78 19.676 -1.151 3.993 1.00 22.53 C ATOM 1218 CG PRO A 78 18.954 -2.421 3.700 1.00 53.21 C ATOM 1219 CD PRO A 78 19.919 -3.277 2.928 1.00 75.53 C ATOM 0 HA PRO A 78 21.853 -0.815 3.830 1.00 22.31 H new ATOM 0 HB2 PRO A 78 19.290 -0.675 4.895 1.00 22.53 H new ATOM 0 HB3 PRO A 78 19.562 -0.434 3.180 1.00 22.53 H new ATOM 0 HG2 PRO A 78 18.644 -2.915 4.621 1.00 53.21 H new ATOM 0 HG3 PRO A 78 18.050 -2.232 3.120 1.00 53.21 H new ATOM 0 HD2 PRO A 78 19.778 -4.336 3.143 1.00 75.53 H new ATOM 0 HD3 PRO A 78 19.796 -3.151 1.852 1.00 75.53 H new TER 1227 PRO A 78