USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 861 hydrogens (15 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 NoAdj-H: A 106 GSH H32 : A 106 GSH O32 : A 106 GSH C3 :(short bond) USER MOD NoAdj-H: A 106 GSH H12 : A 106 GSH O12 : A 106 GSH C1 :(short bond) USER MOD Set 1.1: A 90 GLN : amide:sc= -7.46! C(o=-7!,f=-17!) USER MOD Set 1.2: A 91 SER OG : rot 54:sc= 0.47! USER MOD Set 2.1: A 53 THR OG1 : rot 84:sc= 0.179 USER MOD Set 2.2: A 54 ASN : amide:sc= -0.666! C(o=-0.49!,f=-5.8!) USER MOD Set 3.1: A 6 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.56) USER MOD Set 3.2: A 59 TYR OH : rot 15:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 79:sc= 0.962 USER MOD Single : A 8 LYS NZ :NH3+ -116:sc= 0.755 (180deg=-0.358) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.0462 F(o=-0.97,f=-0.046) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -34:sc= -0.26! USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -130:sc= -1.11 USER MOD Single : A 29 GLN :FLIP amide:sc= -6.61! C(o=-7.3!,f=-6.6!) USER MOD Single : A 33 SER OG : rot 68:sc= 1.08 USER MOD Single : A 34 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -3.12! C(o=-4.3!,f=-3.1!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 163:sc= 0.0021 USER MOD Single : A 51 ASN : amide:sc= -2.81! C(o=-2.8!,f=-3.9!) USER MOD Single : A 52 HIS : no HD1:sc= -2.9 X(o=-2.9,f=-2.9) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 61 GLN :FLIP amide:sc= -3.35! C(o=-4.5!,f=-3.4!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -83:sc= 0.282! USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 98:sc= 0.00645 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.48! C(o=-2.5!,f=-2.6!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -164:sc=-0.00182 (180deg=-0.159) USER MOD Single : A 100 GLN : amide:sc= -0.885 K(o=-0.88,f=-2.1!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.845 45.654 4.447 1.00 18.33 N ATOM 2 CA ALA A 1 16.851 44.557 4.372 1.00 16.52 C ATOM 3 C ALA A 1 16.412 43.532 3.322 1.00 15.03 C ATOM 4 O ALA A 1 16.147 42.387 3.631 1.00 16.00 O ATOM 5 CB ALA A 1 16.965 43.878 5.740 1.00 17.21 C ATOM 0 H1 ALA A 1 16.143 46.350 5.160 1.00 18.33 H new ATOM 0 H2 ALA A 1 15.769 46.119 3.520 1.00 18.33 H new ATOM 0 H3 ALA A 1 14.920 45.259 4.714 1.00 18.33 H new ATOM 0 HA ALA A 1 17.820 44.968 4.090 1.00 16.52 H new ATOM 0 HB1 ALA A 1 17.700 43.075 5.688 1.00 17.21 H new ATOM 0 HB2 ALA A 1 17.279 44.610 6.484 1.00 17.21 H new ATOM 0 HB3 ALA A 1 15.997 43.465 6.023 1.00 17.21 H new ATOM 13 N GLN A 2 16.336 43.934 2.081 1.00 14.70 N ATOM 14 CA GLN A 2 15.920 42.983 1.010 1.00 14.58 C ATOM 15 C GLN A 2 17.161 42.293 0.442 1.00 12.38 C ATOM 16 O GLN A 2 17.407 41.130 0.692 1.00 12.11 O ATOM 17 CB GLN A 2 15.208 43.748 -0.107 1.00 17.38 C ATOM 18 CG GLN A 2 14.611 42.753 -1.106 1.00 22.60 C ATOM 19 CD GLN A 2 13.888 43.517 -2.217 1.00 24.11 C ATOM 20 OE1 GLN A 2 12.675 43.575 -2.240 1.00 29.77 O ATOM 21 NE2 GLN A 2 14.588 44.108 -3.147 1.00 23.75 N ATOM 0 H GLN A 2 16.544 44.881 1.763 1.00 14.70 H new ATOM 0 HA GLN A 2 15.242 42.238 1.426 1.00 14.58 H new ATOM 0 HB2 GLN A 2 14.421 44.376 0.312 1.00 17.38 H new ATOM 0 HB3 GLN A 2 15.910 44.411 -0.613 1.00 17.38 H new ATOM 0 HG2 GLN A 2 15.399 42.131 -1.531 1.00 22.60 H new ATOM 0 HG3 GLN A 2 13.916 42.084 -0.598 1.00 22.60 H new ATOM 0 HE21 GLN A 2 15.607 44.059 -3.127 1.00 23.75 H new ATOM 0 HE22 GLN A 2 14.116 44.619 -3.893 1.00 23.75 H new ATOM 30 N GLU A 3 17.948 43.005 -0.318 1.00 0.00 N ATOM 31 CA GLU A 3 19.178 42.396 -0.897 1.00 0.00 C ATOM 32 C GLU A 3 20.065 41.885 0.239 1.00 0.00 C ATOM 33 O GLU A 3 21.048 41.207 0.017 1.00 0.00 O ATOM 34 CB GLU A 3 19.939 43.449 -1.707 1.00 0.00 C ATOM 35 CG GLU A 3 20.183 44.685 -0.840 1.00 0.00 C ATOM 36 CD GLU A 3 20.835 45.780 -1.686 1.00 0.00 C ATOM 37 OE1 GLU A 3 20.153 46.330 -2.535 1.00 0.00 O ATOM 38 OE2 GLU A 3 22.006 46.050 -1.471 1.00 0.00 O ATOM 0 H GLU A 3 17.792 43.983 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 3 18.905 41.568 -1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.889 43.041 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.368 43.722 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.241 45.043 -0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.826 44.430 0.003 1.00 0.00 H new ATOM 45 N PHE A 4 19.723 42.211 1.456 1.00 11.75 N ATOM 46 CA PHE A 4 20.538 41.754 2.615 1.00 10.29 C ATOM 47 C PHE A 4 20.548 40.224 2.678 1.00 10.97 C ATOM 48 O PHE A 4 21.542 39.592 2.392 1.00 7.53 O ATOM 49 CB PHE A 4 19.928 42.316 3.907 1.00 11.72 C ATOM 50 CG PHE A 4 20.719 43.515 4.382 1.00 16.98 C ATOM 51 CD1 PHE A 4 20.728 44.693 3.625 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.438 43.450 5.583 1.00 12.51 C ATOM 53 CE1 PHE A 4 21.455 45.804 4.069 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.166 44.561 6.025 1.00 19.72 C ATOM 55 CZ PHE A 4 22.174 45.739 5.268 1.00 20.03 C ATOM 0 H PHE A 4 18.910 42.777 1.697 1.00 11.75 H new ATOM 0 HA PHE A 4 21.562 42.110 2.501 1.00 10.29 H new ATOM 0 HB2 PHE A 4 18.891 42.602 3.733 1.00 11.72 H new ATOM 0 HB3 PHE A 4 19.922 41.547 4.679 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.174 44.744 2.699 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.430 42.542 6.168 1.00 12.51 H new ATOM 0 HE1 PHE A 4 21.461 46.713 3.485 1.00 18.59 H new ATOM 0 HE2 PHE A 4 22.721 44.510 6.950 1.00 19.72 H new ATOM 0 HZ PHE A 4 22.735 46.597 5.609 1.00 20.03 H new ATOM 65 N VAL A 5 19.456 39.628 3.067 1.00 10.96 N ATOM 66 CA VAL A 5 19.412 38.141 3.168 1.00 12.03 C ATOM 67 C VAL A 5 19.357 37.519 1.769 1.00 12.91 C ATOM 68 O VAL A 5 19.987 36.516 1.500 1.00 10.57 O ATOM 69 CB VAL A 5 18.170 37.732 3.967 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.020 38.653 5.181 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.922 37.852 3.085 1.00 9.23 C ATOM 0 H VAL A 5 18.591 40.106 3.320 1.00 10.96 H new ATOM 0 HA VAL A 5 20.310 37.785 3.673 1.00 12.03 H new ATOM 0 HB VAL A 5 18.281 36.700 4.298 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.137 38.363 5.750 1.00 5.33 H new ATOM 0 HG12 VAL A 5 18.904 38.568 5.814 1.00 5.33 H new ATOM 0 HG13 VAL A 5 17.913 39.684 4.844 1.00 5.33 H new ATOM 0 HG21 VAL A 5 16.042 37.560 3.658 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.811 38.883 2.750 1.00 9.23 H new ATOM 0 HG23 VAL A 5 17.024 37.198 2.219 1.00 9.23 H new ATOM 81 N ASN A 6 18.605 38.102 0.880 1.00 13.95 N ATOM 82 CA ASN A 6 18.501 37.543 -0.495 1.00 13.93 C ATOM 83 C ASN A 6 19.891 37.422 -1.129 1.00 14.98 C ATOM 84 O ASN A 6 20.113 36.599 -1.995 1.00 13.88 O ATOM 85 CB ASN A 6 17.639 38.473 -1.346 1.00 19.23 C ATOM 86 CG ASN A 6 16.168 38.292 -0.971 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.691 37.182 -0.856 1.00 28.33 O ATOM 88 ND2 ASN A 6 15.424 39.346 -0.774 1.00 26.59 N ATOM 0 H ASN A 6 18.056 38.945 1.047 1.00 13.95 H new ATOM 0 HA ASN A 6 18.050 36.552 -0.444 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.940 39.509 -1.190 1.00 19.23 H new ATOM 0 HB3 ASN A 6 17.785 38.254 -2.404 1.00 19.23 H new ATOM 0 HD21 ASN A 6 14.441 39.237 -0.523 1.00 26.59 H new ATOM 0 HD22 ASN A 6 15.825 40.279 -0.871 1.00 26.59 H new ATOM 95 N SER A 7 20.823 38.243 -0.724 1.00 0.00 N ATOM 96 CA SER A 7 22.185 38.174 -1.330 1.00 0.00 C ATOM 97 C SER A 7 22.946 36.952 -0.804 1.00 0.00 C ATOM 98 O SER A 7 23.895 36.496 -1.411 1.00 0.00 O ATOM 99 CB SER A 7 22.962 39.443 -0.975 1.00 0.00 C ATOM 100 OG SER A 7 22.468 40.525 -1.752 1.00 0.00 O ATOM 0 H SER A 7 20.702 38.955 -0.004 1.00 0.00 H new ATOM 0 HA SER A 7 22.084 38.087 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.856 39.664 0.087 1.00 0.00 H new ATOM 0 HB3 SER A 7 24.025 39.298 -1.166 1.00 0.00 H new ATOM 0 HG SER A 7 21.633 40.856 -1.359 1.00 0.00 H new ATOM 106 N LYS A 8 22.560 36.431 0.329 1.00 13.50 N ATOM 107 CA LYS A 8 23.289 35.256 0.897 1.00 11.83 C ATOM 108 C LYS A 8 22.578 33.945 0.559 1.00 12.94 C ATOM 109 O LYS A 8 23.202 32.972 0.184 1.00 11.22 O ATOM 110 CB LYS A 8 23.358 35.404 2.418 1.00 13.35 C ATOM 111 CG LYS A 8 24.487 36.374 2.799 1.00 9.72 C ATOM 112 CD LYS A 8 23.910 37.758 3.121 1.00 17.72 C ATOM 113 CE LYS A 8 23.459 37.802 4.584 1.00 15.70 C ATOM 114 NZ LYS A 8 22.688 39.054 4.832 1.00 22.87 N ATOM 0 H LYS A 8 21.774 36.766 0.886 1.00 13.50 H new ATOM 0 HA LYS A 8 24.289 35.228 0.464 1.00 11.83 H new ATOM 0 HB2 LYS A 8 22.406 35.773 2.800 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.531 34.432 2.879 1.00 13.35 H new ATOM 0 HG2 LYS A 8 25.031 35.989 3.661 1.00 9.72 H new ATOM 0 HG3 LYS A 8 25.202 36.452 1.980 1.00 9.72 H new ATOM 0 HD2 LYS A 8 24.661 38.527 2.939 1.00 17.72 H new ATOM 0 HD3 LYS A 8 23.067 37.973 2.464 1.00 17.72 H new ATOM 0 HE2 LYS A 8 22.843 36.932 4.811 1.00 15.70 H new ATOM 0 HE3 LYS A 8 24.326 37.760 5.244 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 23.199 39.646 5.517 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 22.576 39.575 3.939 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 21.750 38.815 5.213 1.00 22.87 H new ATOM 128 N ILE A 9 21.290 33.895 0.713 1.00 11.05 N ATOM 129 CA ILE A 9 20.566 32.623 0.425 1.00 13.61 C ATOM 130 C ILE A 9 20.429 32.426 -1.085 1.00 12.23 C ATOM 131 O ILE A 9 19.996 33.302 -1.804 1.00 12.72 O ATOM 132 CB ILE A 9 19.177 32.656 1.064 1.00 14.29 C ATOM 133 CG1 ILE A 9 18.415 33.869 0.532 1.00 20.74 C ATOM 134 CG2 ILE A 9 19.315 32.740 2.588 1.00 15.26 C ATOM 135 CD1 ILE A 9 17.366 34.332 1.550 1.00 25.19 C ATOM 0 H ILE A 9 20.706 34.671 1.023 1.00 11.05 H new ATOM 0 HA ILE A 9 21.136 31.794 0.844 1.00 13.61 H new ATOM 0 HB ILE A 9 18.628 31.748 0.813 1.00 14.29 H new ATOM 0 HG12 ILE A 9 19.112 34.681 0.324 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.929 33.616 -0.410 1.00 20.74 H new ATOM 0 HG21 ILE A 9 18.324 32.763 3.042 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.861 31.870 2.952 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.858 33.647 2.855 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.833 35.197 1.155 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.659 33.524 1.737 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.860 34.605 2.483 1.00 25.19 H new ATOM 147 N GLN A 10 20.804 31.271 -1.559 1.00 11.13 N ATOM 148 CA GLN A 10 20.715 30.975 -3.015 1.00 10.86 C ATOM 149 C GLN A 10 20.399 29.481 -3.195 1.00 10.00 C ATOM 150 O GLN A 10 20.744 28.686 -2.343 1.00 10.42 O ATOM 151 CB GLN A 10 22.064 31.291 -3.673 1.00 14.27 C ATOM 152 CG GLN A 10 22.209 32.802 -3.857 1.00 22.05 C ATOM 153 CD GLN A 10 23.466 33.096 -4.679 1.00 30.84 C ATOM 154 OE1 GLN A 10 23.793 32.296 -5.657 1.00 32.99 O flip ATOM 155 NE2 GLN A 10 24.157 34.064 -4.429 1.00 34.61 N flip ATOM 0 H GLN A 10 21.174 30.509 -0.990 1.00 11.13 H new ATOM 0 HA GLN A 10 19.933 31.579 -3.475 1.00 10.86 H new ATOM 0 HB2 GLN A 10 22.878 30.911 -3.056 1.00 14.27 H new ATOM 0 HB3 GLN A 10 22.135 30.789 -4.638 1.00 14.27 H new ATOM 0 HG2 GLN A 10 21.330 33.204 -4.360 1.00 22.05 H new ATOM 0 HG3 GLN A 10 22.273 33.293 -2.886 1.00 22.05 H new ATOM 0 HE21 GLN A 10 23.902 34.689 -3.665 1.00 34.61 H new ATOM 0 HE22 GLN A 10 24.992 34.251 -4.984 1.00 34.61 H new ATOM 164 N PRO A 11 19.763 29.127 -4.291 1.00 6.53 N ATOM 165 CA PRO A 11 19.423 27.719 -4.555 1.00 7.75 C ATOM 166 C PRO A 11 20.691 26.863 -4.536 1.00 6.33 C ATOM 167 O PRO A 11 21.628 27.100 -5.273 1.00 9.49 O ATOM 168 CB PRO A 11 18.773 27.716 -5.947 1.00 8.32 C ATOM 169 CG PRO A 11 18.704 29.188 -6.431 1.00 7.94 C ATOM 170 CD PRO A 11 19.335 30.072 -5.341 1.00 11.72 C ATOM 0 HA PRO A 11 18.753 27.303 -3.803 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.356 27.111 -6.641 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.775 27.279 -5.904 1.00 8.32 H new ATOM 0 HG2 PRO A 11 19.238 29.305 -7.374 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.670 29.483 -6.611 1.00 7.94 H new ATOM 0 HD2 PRO A 11 20.180 30.639 -5.731 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.618 30.795 -4.954 1.00 11.72 H new ATOM 178 N GLY A 12 20.722 25.869 -3.697 1.00 5.64 N ATOM 179 CA GLY A 12 21.920 24.990 -3.619 1.00 8.39 C ATOM 180 C GLY A 12 22.971 25.624 -2.702 1.00 7.67 C ATOM 181 O GLY A 12 24.149 25.349 -2.812 1.00 10.24 O ATOM 0 H GLY A 12 19.965 25.626 -3.058 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.638 24.008 -3.239 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.337 24.839 -4.615 1.00 8.39 H new ATOM 185 N LYS A 13 22.553 26.470 -1.795 1.00 9.66 N ATOM 186 CA LYS A 13 23.524 27.123 -0.866 1.00 10.29 C ATOM 187 C LYS A 13 22.921 27.173 0.540 1.00 10.20 C ATOM 188 O LYS A 13 21.769 27.519 0.716 1.00 6.89 O ATOM 189 CB LYS A 13 23.807 28.547 -1.347 1.00 9.77 C ATOM 190 CG LYS A 13 24.975 29.131 -0.552 1.00 10.63 C ATOM 191 CD LYS A 13 25.300 30.529 -1.081 1.00 12.04 C ATOM 192 CE LYS A 13 26.242 31.242 -0.108 1.00 19.12 C ATOM 193 NZ LYS A 13 26.532 32.612 -0.616 1.00 25.36 N ATOM 0 H LYS A 13 21.578 26.737 -1.658 1.00 9.66 H new ATOM 0 HA LYS A 13 24.453 26.553 -0.847 1.00 10.29 H new ATOM 0 HB2 LYS A 13 24.044 28.543 -2.411 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.920 29.168 -1.220 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.720 29.181 0.507 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.848 28.485 -0.640 1.00 10.63 H new ATOM 0 HD2 LYS A 13 25.764 30.457 -2.065 1.00 12.04 H new ATOM 0 HD3 LYS A 13 24.383 31.105 -1.202 1.00 12.04 H new ATOM 0 HE2 LYS A 13 25.787 31.297 0.881 1.00 19.12 H new ATOM 0 HE3 LYS A 13 27.168 30.678 -0.002 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 27.172 33.099 0.044 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 26.982 32.547 -1.551 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 25.644 33.148 -0.696 1.00 25.36 H new ATOM 207 N VAL A 14 23.686 26.824 1.544 1.00 10.89 N ATOM 208 CA VAL A 14 23.153 26.846 2.934 1.00 9.99 C ATOM 209 C VAL A 14 23.711 28.051 3.692 1.00 5.01 C ATOM 210 O VAL A 14 24.884 28.360 3.613 1.00 6.68 O ATOM 211 CB VAL A 14 23.559 25.562 3.655 1.00 7.84 C ATOM 212 CG1 VAL A 14 23.012 25.584 5.084 1.00 9.33 C ATOM 213 CG2 VAL A 14 22.984 24.359 2.906 1.00 5.86 C ATOM 0 H VAL A 14 24.657 26.525 1.458 1.00 10.89 H new ATOM 0 HA VAL A 14 22.066 26.920 2.896 1.00 9.99 H new ATOM 0 HB VAL A 14 24.646 25.488 3.685 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.302 24.668 5.599 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.419 26.444 5.616 1.00 9.33 H new ATOM 0 HG13 VAL A 14 21.925 25.656 5.056 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.272 23.440 3.418 1.00 5.86 H new ATOM 0 HG22 VAL A 14 21.897 24.434 2.878 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.373 24.344 1.888 1.00 5.86 H new ATOM 223 N VAL A 15 22.879 28.722 4.441 1.00 3.11 N ATOM 224 CA VAL A 15 23.351 29.898 5.227 1.00 10.10 C ATOM 225 C VAL A 15 22.572 29.947 6.542 1.00 9.35 C ATOM 226 O VAL A 15 21.463 29.460 6.632 1.00 11.00 O ATOM 227 CB VAL A 15 23.144 31.191 4.408 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.991 32.025 4.984 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.427 32.037 4.435 1.00 10.96 C ATOM 0 H VAL A 15 21.888 28.505 4.543 1.00 3.11 H new ATOM 0 HA VAL A 15 24.415 29.809 5.446 1.00 10.10 H new ATOM 0 HB VAL A 15 22.902 30.906 3.384 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.865 32.930 4.390 1.00 15.82 H new ATOM 0 HG12 VAL A 15 21.071 31.442 4.956 1.00 15.82 H new ATOM 0 HG13 VAL A 15 22.218 32.296 6.015 1.00 15.82 H new ATOM 0 HG21 VAL A 15 24.275 32.948 3.856 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.669 32.299 5.465 1.00 10.96 H new ATOM 0 HG23 VAL A 15 25.249 31.466 4.003 1.00 10.96 H new ATOM 239 N VAL A 16 23.148 30.514 7.568 1.00 8.87 N ATOM 240 CA VAL A 16 22.445 30.573 8.876 1.00 5.41 C ATOM 241 C VAL A 16 22.507 31.984 9.457 1.00 6.62 C ATOM 242 O VAL A 16 23.567 32.516 9.711 1.00 8.94 O ATOM 243 CB VAL A 16 23.116 29.606 9.854 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.290 29.517 11.140 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.216 28.219 9.218 1.00 5.31 C ATOM 0 H VAL A 16 24.075 30.938 7.554 1.00 8.87 H new ATOM 0 HA VAL A 16 21.402 30.297 8.723 1.00 5.41 H new ATOM 0 HB VAL A 16 24.116 29.971 10.090 1.00 7.47 H new ATOM 0 HG11 VAL A 16 22.771 28.828 11.834 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.222 30.504 11.598 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.289 29.156 10.905 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.694 27.532 9.916 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.217 27.856 8.979 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.809 28.279 8.305 1.00 5.31 H new ATOM 255 N PHE A 17 21.373 32.581 9.708 1.00 5.51 N ATOM 256 CA PHE A 17 21.364 33.939 10.314 1.00 5.80 C ATOM 257 C PHE A 17 21.369 33.757 11.830 1.00 7.23 C ATOM 258 O PHE A 17 20.509 33.101 12.383 1.00 5.39 O ATOM 259 CB PHE A 17 20.105 34.686 9.876 1.00 5.73 C ATOM 260 CG PHE A 17 20.177 34.962 8.394 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.911 33.934 7.486 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.510 36.241 7.927 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.975 34.179 6.110 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.574 36.487 6.549 1.00 5.88 C ATOM 265 CZ PHE A 17 20.306 35.456 5.641 1.00 5.73 C ATOM 0 H PHE A 17 20.453 32.185 9.518 1.00 5.51 H new ATOM 0 HA PHE A 17 22.231 34.518 9.996 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.219 34.093 10.104 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.013 35.622 10.428 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.656 32.949 7.847 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.717 37.036 8.628 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.769 33.383 5.410 1.00 9.93 H new ATOM 0 HE2 PHE A 17 20.830 37.472 6.188 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.355 35.646 4.579 1.00 5.73 H new ATOM 275 N ILE A 18 22.355 34.284 12.504 1.00 8.64 N ATOM 276 CA ILE A 18 22.430 34.080 13.979 1.00 6.83 C ATOM 277 C ILE A 18 22.721 35.379 14.717 1.00 10.62 C ATOM 278 O ILE A 18 22.681 36.461 14.171 1.00 6.74 O ATOM 279 CB ILE A 18 23.562 33.095 14.270 1.00 6.39 C ATOM 280 CG1 ILE A 18 24.892 33.671 13.777 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.288 31.772 13.553 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.024 32.696 14.114 1.00 8.36 C ATOM 0 H ILE A 18 23.107 34.843 12.101 1.00 8.64 H new ATOM 0 HA ILE A 18 21.467 33.702 14.322 1.00 6.83 H new ATOM 0 HB ILE A 18 23.618 32.924 15.345 1.00 6.39 H new ATOM 0 HG12 ILE A 18 24.851 33.840 12.701 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.078 34.638 14.245 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.096 31.071 13.762 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.345 31.355 13.907 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.227 31.946 12.479 1.00 2.18 H new ATOM 0 HD11 ILE A 18 26.972 33.104 13.764 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.069 32.549 15.193 1.00 8.36 H new ATOM 0 HD13 ILE A 18 25.838 31.740 13.625 1.00 8.36 H new ATOM 294 N LYS A 19 23.037 35.242 15.970 1.00 12.12 N ATOM 295 CA LYS A 19 23.373 36.406 16.825 1.00 15.62 C ATOM 296 C LYS A 19 24.450 35.920 17.807 1.00 16.36 C ATOM 297 O LYS A 19 24.122 35.297 18.796 1.00 13.35 O ATOM 298 CB LYS A 19 22.125 36.849 17.611 1.00 18.25 C ATOM 299 CG LYS A 19 21.214 37.722 16.726 1.00 25.24 C ATOM 300 CD LYS A 19 20.627 38.875 17.550 1.00 30.64 C ATOM 301 CE LYS A 19 19.684 38.322 18.620 1.00 31.75 C ATOM 302 NZ LYS A 19 19.276 39.425 19.534 1.00 38.73 N ATOM 0 H LYS A 19 23.077 34.343 16.450 1.00 12.12 H new ATOM 0 HA LYS A 19 23.722 37.250 16.230 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.576 35.973 17.957 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.425 37.408 18.497 1.00 18.25 H new ATOM 0 HG2 LYS A 19 21.783 38.118 15.885 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.409 37.116 16.309 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.430 39.444 18.019 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.088 39.562 16.898 1.00 30.64 H new ATOM 0 HE2 LYS A 19 18.805 37.878 18.152 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.179 37.531 19.184 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.635 39.052 20.263 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 20.120 39.829 19.989 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 18.789 40.165 18.989 1.00 38.73 H new ATOM 316 N PRO A 20 25.706 36.168 17.493 1.00 17.46 N ATOM 317 CA PRO A 20 26.817 35.697 18.341 1.00 20.12 C ATOM 318 C PRO A 20 26.602 36.115 19.797 1.00 24.12 C ATOM 319 O PRO A 20 27.243 37.012 20.307 1.00 24.58 O ATOM 320 CB PRO A 20 28.075 36.330 17.731 1.00 20.63 C ATOM 321 CG PRO A 20 27.664 36.959 16.376 1.00 18.08 C ATOM 322 CD PRO A 20 26.125 36.936 16.302 1.00 17.14 C ATOM 0 HA PRO A 20 26.897 34.610 18.363 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.485 37.088 18.398 1.00 20.63 H new ATOM 0 HB3 PRO A 20 28.851 35.579 17.586 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.036 37.981 16.299 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.096 36.399 15.547 1.00 18.08 H new ATOM 0 HD2 PRO A 20 25.712 37.945 16.315 1.00 17.14 H new ATOM 0 HD3 PRO A 20 25.779 36.462 15.383 1.00 17.14 H new ATOM 330 N THR A 21 25.701 35.450 20.467 1.00 24.78 N ATOM 331 CA THR A 21 25.424 35.772 21.892 1.00 27.36 C ATOM 332 C THR A 21 24.495 34.706 22.469 1.00 24.99 C ATOM 333 O THR A 21 24.559 34.384 23.639 1.00 26.49 O ATOM 334 CB THR A 21 24.745 37.141 21.999 1.00 28.64 C ATOM 335 OG1 THR A 21 25.448 38.083 21.203 1.00 30.99 O ATOM 336 CG2 THR A 21 24.751 37.599 23.459 1.00 34.82 C ATOM 0 H THR A 21 25.140 34.690 20.082 1.00 24.78 H new ATOM 0 HA THR A 21 26.363 35.795 22.446 1.00 27.36 H new ATOM 0 HB THR A 21 23.717 37.065 21.646 1.00 28.64 H new ATOM 0 HG1 THR A 21 26.404 37.869 21.210 1.00 30.99 H new ATOM 0 HG21 THR A 21 24.268 38.573 23.537 1.00 34.82 H new ATOM 0 HG22 THR A 21 24.210 36.876 24.069 1.00 34.82 H new ATOM 0 HG23 THR A 21 25.779 37.675 23.812 1.00 34.82 H new ATOM 344 N CYS A 22 23.620 34.157 21.662 1.00 21.46 N ATOM 345 CA CYS A 22 22.685 33.118 22.182 1.00 17.23 C ATOM 346 C CYS A 22 23.230 31.709 21.866 1.00 14.71 C ATOM 347 O CYS A 22 23.566 31.431 20.732 1.00 13.71 O ATOM 348 CB CYS A 22 21.310 33.306 21.534 1.00 15.71 C ATOM 349 SG CYS A 22 20.030 32.998 22.776 1.00 9.78 S ATOM 0 H CYS A 22 23.515 34.383 20.673 1.00 21.46 H new ATOM 0 HA CYS A 22 22.594 33.222 23.263 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.215 34.317 21.138 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.192 32.622 20.694 1.00 15.71 H new ATOM 354 N PRO A 23 23.308 30.858 22.875 1.00 13.86 N ATOM 355 CA PRO A 23 23.818 29.479 22.705 1.00 13.47 C ATOM 356 C PRO A 23 22.967 28.665 21.718 1.00 8.59 C ATOM 357 O PRO A 23 23.369 27.603 21.285 1.00 10.79 O ATOM 358 CB PRO A 23 23.748 28.854 24.102 1.00 11.94 C ATOM 359 CG PRO A 23 23.255 29.938 25.080 1.00 7.24 C ATOM 360 CD PRO A 23 22.910 31.192 24.259 1.00 12.58 C ATOM 0 HA PRO A 23 24.828 29.485 22.294 1.00 13.47 H new ATOM 0 HB2 PRO A 23 23.070 28.000 24.105 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.728 28.484 24.404 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.380 29.588 25.628 1.00 7.24 H new ATOM 0 HG3 PRO A 23 24.024 30.165 25.818 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.847 31.425 24.320 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.449 32.066 24.626 1.00 12.58 H new ATOM 368 N TYR A 24 21.803 29.132 21.361 1.00 0.00 N ATOM 369 CA TYR A 24 20.964 28.345 20.407 1.00 0.00 C ATOM 370 C TYR A 24 21.582 28.399 19.013 1.00 0.00 C ATOM 371 O TYR A 24 21.734 27.390 18.356 1.00 0.00 O ATOM 372 CB TYR A 24 19.539 28.904 20.374 1.00 0.00 C ATOM 373 CG TYR A 24 18.726 28.254 21.469 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.786 28.741 22.780 1.00 0.00 C ATOM 375 CD2 TYR A 24 17.915 27.153 21.164 1.00 0.00 C ATOM 376 CE1 TYR A 24 18.033 28.124 23.789 1.00 0.00 C ATOM 377 CE2 TYR A 24 17.163 26.538 22.172 1.00 0.00 C ATOM 378 CZ TYR A 24 17.222 27.023 23.484 1.00 0.00 C ATOM 379 OH TYR A 24 16.481 26.413 24.477 1.00 0.00 O ATOM 0 H TYR A 24 21.398 30.012 21.682 1.00 0.00 H new ATOM 0 HA TYR A 24 20.924 27.308 20.739 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.556 29.985 20.510 1.00 0.00 H new ATOM 0 HB3 TYR A 24 19.083 28.712 19.403 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.411 29.590 23.014 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.870 26.779 20.152 1.00 0.00 H new ATOM 0 HE1 TYR A 24 18.078 28.497 24.801 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.537 25.689 21.938 1.00 0.00 H new ATOM 0 HH TYR A 24 15.974 25.667 24.095 1.00 0.00 H new ATOM 389 N SER A 25 21.950 29.556 18.556 1.00 0.00 N ATOM 390 CA SER A 25 22.565 29.639 17.204 1.00 0.00 C ATOM 391 C SER A 25 23.879 28.854 17.208 1.00 0.00 C ATOM 392 O SER A 25 24.300 28.327 16.198 1.00 0.00 O ATOM 393 CB SER A 25 22.846 31.098 16.849 1.00 0.00 C ATOM 394 OG SER A 25 24.239 31.262 16.602 1.00 0.00 O ATOM 0 H SER A 25 21.854 30.442 19.052 1.00 0.00 H new ATOM 0 HA SER A 25 21.881 29.219 16.466 1.00 0.00 H new ATOM 0 HB2 SER A 25 22.272 31.387 15.968 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.530 31.750 17.663 1.00 0.00 H new ATOM 0 HG SER A 25 24.575 32.024 17.118 1.00 0.00 H new ATOM 400 N ARG A 26 24.524 28.759 18.339 1.00 16.21 N ATOM 401 CA ARG A 26 25.799 27.991 18.398 1.00 15.67 C ATOM 402 C ARG A 26 25.503 26.540 18.019 1.00 13.70 C ATOM 403 O ARG A 26 26.233 25.919 17.273 1.00 12.41 O ATOM 404 CB ARG A 26 26.372 28.051 19.824 1.00 22.04 C ATOM 405 CG ARG A 26 27.397 29.188 19.932 1.00 31.64 C ATOM 406 CD ARG A 26 28.769 28.694 19.467 1.00 43.08 C ATOM 407 NE ARG A 26 29.720 29.840 19.415 1.00 52.93 N ATOM 408 CZ ARG A 26 31.002 29.617 19.337 1.00 57.80 C ATOM 409 NH1 ARG A 26 31.448 28.392 19.305 1.00 58.61 N ATOM 410 NH2 ARG A 26 31.839 30.618 19.289 1.00 59.59 N ATOM 0 H ARG A 26 24.225 29.178 19.220 1.00 16.21 H new ATOM 0 HA ARG A 26 26.529 28.416 17.709 1.00 15.67 H new ATOM 0 HB2 ARG A 26 25.567 28.207 20.542 1.00 22.04 H new ATOM 0 HB3 ARG A 26 26.843 27.101 20.075 1.00 22.04 H new ATOM 0 HG2 ARG A 26 27.080 30.035 19.324 1.00 31.64 H new ATOM 0 HG3 ARG A 26 27.457 29.540 20.962 1.00 31.64 H new ATOM 0 HD2 ARG A 26 29.142 27.929 20.148 1.00 43.08 H new ATOM 0 HD3 ARG A 26 28.686 28.232 18.483 1.00 43.08 H new ATOM 0 HE ARG A 26 29.369 30.797 19.440 1.00 52.93 H new ATOM 0 HH11 ARG A 26 30.794 27.610 19.341 1.00 58.61 H new ATOM 0 HH12 ARG A 26 32.451 28.216 19.244 1.00 58.61 H new ATOM 0 HH21 ARG A 26 31.490 31.576 19.313 1.00 59.59 H new ATOM 0 HH22 ARG A 26 32.842 30.442 19.228 1.00 59.59 H new ATOM 424 N ARG A 27 24.425 26.001 18.522 1.00 0.00 N ATOM 425 CA ARG A 27 24.062 24.597 18.186 1.00 0.00 C ATOM 426 C ARG A 27 24.007 24.443 16.670 1.00 0.00 C ATOM 427 O ARG A 27 24.570 23.526 16.106 1.00 0.00 O ATOM 428 CB ARG A 27 22.684 24.273 18.766 1.00 0.00 C ATOM 429 CG ARG A 27 22.821 23.863 20.230 1.00 0.00 C ATOM 430 CD ARG A 27 21.428 23.717 20.846 1.00 0.00 C ATOM 431 NE ARG A 27 21.545 23.581 22.324 1.00 0.00 N ATOM 432 CZ ARG A 27 20.490 23.736 23.077 1.00 0.00 C ATOM 433 NH1 ARG A 27 19.338 24.015 22.532 1.00 0.00 N ATOM 434 NH2 ARG A 27 20.586 23.612 24.372 1.00 0.00 N ATOM 0 H ARG A 27 23.779 26.475 19.153 1.00 0.00 H new ATOM 0 HA ARG A 27 24.807 23.920 18.604 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.031 25.142 18.682 1.00 0.00 H new ATOM 0 HB3 ARG A 27 22.220 23.469 18.196 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.366 22.922 20.307 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.397 24.610 20.777 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.817 24.585 20.598 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.925 22.844 20.429 1.00 0.00 H new ATOM 0 HE ARG A 27 22.448 23.367 22.747 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.263 24.112 21.519 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.512 24.136 23.119 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.487 23.394 24.798 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.760 23.734 24.959 1.00 0.00 H new ATOM 448 N ALA A 28 23.322 25.332 16.006 1.00 0.00 N ATOM 449 CA ALA A 28 23.224 25.230 14.528 1.00 0.00 C ATOM 450 C ALA A 28 24.633 25.267 13.935 1.00 0.00 C ATOM 451 O ALA A 28 24.934 24.585 12.978 1.00 0.00 O ATOM 452 CB ALA A 28 22.403 26.402 13.982 1.00 0.00 C ATOM 0 H ALA A 28 22.828 26.121 16.423 1.00 0.00 H new ATOM 0 HA ALA A 28 22.733 24.296 14.255 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.334 26.323 12.897 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.402 26.377 14.413 1.00 0.00 H new ATOM 0 HB3 ALA A 28 22.888 27.341 14.247 1.00 0.00 H new ATOM 458 N GLN A 29 25.499 26.057 14.503 1.00 19.83 N ATOM 459 CA GLN A 29 26.890 26.140 13.984 1.00 20.83 C ATOM 460 C GLN A 29 27.635 24.839 14.299 1.00 20.95 C ATOM 461 O GLN A 29 28.375 24.318 13.488 1.00 22.85 O ATOM 462 CB GLN A 29 27.609 27.315 14.658 1.00 21.33 C ATOM 463 CG GLN A 29 27.007 28.651 14.180 1.00 34.02 C ATOM 464 CD GLN A 29 28.113 29.556 13.628 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.981 29.064 12.788 1.00 42.72 O flip ATOM 466 NE2 GLN A 29 28.187 30.721 13.966 1.00 45.49 N flip ATOM 0 H GLN A 29 25.302 26.651 15.308 1.00 19.83 H new ATOM 0 HA GLN A 29 26.869 26.291 12.905 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.518 27.234 15.741 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.673 27.283 14.424 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.258 28.467 13.410 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.499 29.147 15.007 1.00 34.02 H new ATOM 0 HE21 GLN A 29 27.508 31.106 14.623 1.00 45.49 H new ATOM 0 HE22 GLN A 29 28.928 31.314 13.593 1.00 45.49 H new ATOM 475 N GLU A 30 27.454 24.324 15.480 1.00 22.87 N ATOM 476 CA GLU A 30 28.157 23.069 15.879 1.00 23.32 C ATOM 477 C GLU A 30 27.607 21.860 15.107 1.00 22.32 C ATOM 478 O GLU A 30 28.342 20.958 14.754 1.00 25.42 O ATOM 479 CB GLU A 30 27.961 22.846 17.381 1.00 24.18 C ATOM 480 CG GLU A 30 28.751 23.901 18.161 1.00 32.27 C ATOM 481 CD GLU A 30 28.400 23.811 19.648 1.00 34.97 C ATOM 482 OE1 GLU A 30 28.556 22.739 20.209 1.00 34.69 O ATOM 483 OE2 GLU A 30 27.982 24.815 20.200 1.00 32.92 O ATOM 0 H GLU A 30 26.844 24.720 16.195 1.00 22.87 H new ATOM 0 HA GLU A 30 29.217 23.171 15.645 1.00 23.32 H new ATOM 0 HB2 GLU A 30 26.903 22.908 17.634 1.00 24.18 H new ATOM 0 HB3 GLU A 30 28.296 21.847 17.658 1.00 24.18 H new ATOM 0 HG2 GLU A 30 29.821 23.747 18.020 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.520 24.897 17.782 1.00 32.27 H new ATOM 490 N ILE A 31 26.324 21.818 14.861 1.00 0.00 N ATOM 491 CA ILE A 31 25.743 20.647 14.134 1.00 0.00 C ATOM 492 C ILE A 31 26.039 20.756 12.631 1.00 0.00 C ATOM 493 O ILE A 31 26.649 19.878 12.053 1.00 0.00 O ATOM 494 CB ILE A 31 24.229 20.590 14.396 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.642 19.254 13.891 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.527 21.773 13.725 1.00 0.00 C ATOM 497 CD1 ILE A 31 23.721 19.146 12.362 1.00 0.00 C ATOM 0 H ILE A 31 25.655 22.539 15.130 1.00 0.00 H new ATOM 0 HA ILE A 31 26.198 19.726 14.497 1.00 0.00 H new ATOM 0 HB ILE A 31 24.061 20.653 15.471 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.184 18.423 14.344 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.603 19.169 14.209 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.456 21.719 13.920 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.922 22.706 14.127 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.703 21.738 12.650 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.299 18.193 12.042 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.158 19.962 11.910 1.00 0.00 H new ATOM 0 HD13 ILE A 31 24.763 19.206 12.046 1.00 0.00 H new ATOM 509 N LEU A 32 25.628 21.817 11.987 1.00 16.72 N ATOM 510 CA LEU A 32 25.905 21.948 10.531 1.00 15.05 C ATOM 511 C LEU A 32 27.409 21.814 10.286 1.00 15.55 C ATOM 512 O LEU A 32 27.840 21.433 9.215 1.00 17.28 O ATOM 513 CB LEU A 32 25.405 23.314 10.041 1.00 12.57 C ATOM 514 CG LEU A 32 23.961 23.192 9.516 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.185 24.474 9.821 1.00 10.68 C ATOM 516 CD2 LEU A 32 23.982 22.969 7.998 1.00 12.45 C ATOM 0 H LEU A 32 25.115 22.593 12.406 1.00 16.72 H new ATOM 0 HA LEU A 32 25.386 21.162 9.982 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.444 24.038 10.855 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.057 23.687 9.251 1.00 12.57 H new ATOM 0 HG LEU A 32 23.477 22.348 10.007 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.166 24.380 9.447 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.162 24.638 10.898 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.673 25.319 9.335 1.00 10.68 H new ATOM 0 HD21 LEU A 32 22.960 22.883 7.629 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.473 23.813 7.513 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.528 22.053 7.772 1.00 12.45 H new ATOM 528 N SER A 33 28.213 22.106 11.271 1.00 16.31 N ATOM 529 CA SER A 33 29.682 21.971 11.084 1.00 18.98 C ATOM 530 C SER A 33 30.010 20.493 10.873 1.00 18.49 C ATOM 531 O SER A 33 30.980 20.143 10.230 1.00 21.34 O ATOM 532 CB SER A 33 30.415 22.489 12.326 1.00 19.20 C ATOM 533 OG SER A 33 30.420 23.911 12.311 1.00 24.11 O ATOM 0 H SER A 33 27.917 22.430 12.192 1.00 16.31 H new ATOM 0 HA SER A 33 30.001 22.554 10.220 1.00 18.98 H new ATOM 0 HB2 SER A 33 29.925 22.125 13.229 1.00 19.20 H new ATOM 0 HB3 SER A 33 31.437 22.111 12.343 1.00 19.20 H new ATOM 0 HG SER A 33 29.506 24.243 12.434 1.00 24.11 H new ATOM 539 N GLN A 34 29.203 19.621 11.417 1.00 20.00 N ATOM 540 CA GLN A 34 29.455 18.163 11.260 1.00 24.71 C ATOM 541 C GLN A 34 28.730 17.629 10.020 1.00 23.33 C ATOM 542 O GLN A 34 28.745 16.445 9.752 1.00 26.27 O ATOM 543 CB GLN A 34 28.933 17.429 12.494 1.00 28.15 C ATOM 544 CG GLN A 34 29.604 17.991 13.749 1.00 37.01 C ATOM 545 CD GLN A 34 31.095 17.648 13.731 1.00 41.74 C ATOM 546 OE1 GLN A 34 31.467 16.495 13.821 1.00 44.07 O ATOM 547 NE2 GLN A 34 31.971 18.609 13.620 1.00 41.20 N ATOM 0 H GLN A 34 28.377 19.859 11.966 1.00 20.00 H new ATOM 0 HA GLN A 34 30.527 17.999 11.147 1.00 24.71 H new ATOM 0 HB2 GLN A 34 27.851 17.542 12.566 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.137 16.362 12.408 1.00 28.15 H new ATOM 0 HG2 GLN A 34 29.470 19.072 13.792 1.00 37.01 H new ATOM 0 HG3 GLN A 34 29.136 17.575 14.641 1.00 37.01 H new ATOM 0 HE21 GLN A 34 31.659 19.577 13.544 1.00 41.20 H new ATOM 0 HE22 GLN A 34 32.968 18.392 13.609 1.00 41.20 H new ATOM 556 N LEU A 35 28.087 18.479 9.262 1.00 19.63 N ATOM 557 CA LEU A 35 27.362 17.995 8.052 1.00 15.93 C ATOM 558 C LEU A 35 28.302 18.070 6.832 1.00 13.36 C ATOM 559 O LEU A 35 28.934 19.085 6.621 1.00 16.12 O ATOM 560 CB LEU A 35 26.135 18.887 7.819 1.00 13.69 C ATOM 561 CG LEU A 35 24.971 18.456 8.731 1.00 11.57 C ATOM 562 CD1 LEU A 35 23.761 19.358 8.471 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.575 17.001 8.445 1.00 16.28 C ATOM 0 H LEU A 35 28.033 19.484 9.429 1.00 19.63 H new ATOM 0 HA LEU A 35 27.042 16.963 8.194 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.392 19.928 8.016 1.00 13.69 H new ATOM 0 HB3 LEU A 35 25.828 18.827 6.775 1.00 13.69 H new ATOM 0 HG LEU A 35 25.291 18.543 9.769 1.00 11.57 H new ATOM 0 HD11 LEU A 35 22.936 19.055 9.115 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.026 20.393 8.684 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.458 19.269 7.428 1.00 11.03 H new ATOM 0 HD21 LEU A 35 23.751 16.713 9.098 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.263 16.906 7.405 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.429 16.349 8.629 1.00 16.28 H new ATOM 575 N PRO A 36 28.378 16.996 6.063 1.00 16.38 N ATOM 576 CA PRO A 36 29.253 16.953 4.874 1.00 17.59 C ATOM 577 C PRO A 36 28.762 17.947 3.816 1.00 19.11 C ATOM 578 O PRO A 36 28.356 17.576 2.732 1.00 21.54 O ATOM 579 CB PRO A 36 29.148 15.507 4.361 1.00 16.71 C ATOM 580 CG PRO A 36 27.985 14.836 5.126 1.00 16.59 C ATOM 581 CD PRO A 36 27.614 15.753 6.301 1.00 15.74 C ATOM 0 HA PRO A 36 30.282 17.228 5.104 1.00 17.59 H new ATOM 0 HB2 PRO A 36 28.962 15.492 3.287 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.081 14.970 4.530 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.128 14.690 4.469 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.282 13.851 5.487 1.00 16.59 H new ATOM 0 HD2 PRO A 36 26.542 15.947 6.329 1.00 15.74 H new ATOM 0 HD3 PRO A 36 27.881 15.301 7.256 1.00 15.74 H new ATOM 589 N ILE A 37 28.804 19.208 4.123 1.00 0.00 N ATOM 590 CA ILE A 37 28.351 20.231 3.138 1.00 0.00 C ATOM 591 C ILE A 37 29.491 20.513 2.157 1.00 0.00 C ATOM 592 O ILE A 37 30.654 20.417 2.498 1.00 0.00 O ATOM 593 CB ILE A 37 27.976 21.525 3.866 1.00 0.00 C ATOM 594 CG1 ILE A 37 26.718 21.284 4.728 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.724 22.633 2.831 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.450 21.604 3.932 1.00 0.00 C ATOM 0 H ILE A 37 29.133 19.579 5.014 1.00 0.00 H new ATOM 0 HA ILE A 37 27.479 19.859 2.601 1.00 0.00 H new ATOM 0 HB ILE A 37 28.790 21.836 4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 37 26.692 20.247 5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.759 21.906 5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.457 23.557 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.627 22.793 2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 37 26.909 22.336 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.574 21.428 4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.470 22.648 3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.402 20.964 3.051 1.00 0.00 H new ATOM 608 N LYS A 38 29.169 20.849 0.939 1.00 12.68 N ATOM 609 CA LYS A 38 30.233 21.123 -0.064 1.00 12.78 C ATOM 610 C LYS A 38 31.214 22.167 0.482 1.00 14.66 C ATOM 611 O LYS A 38 31.142 22.564 1.628 1.00 13.94 O ATOM 612 CB LYS A 38 29.595 21.636 -1.359 1.00 11.68 C ATOM 613 CG LYS A 38 28.985 20.465 -2.142 1.00 12.28 C ATOM 614 CD LYS A 38 30.050 19.824 -3.044 1.00 13.74 C ATOM 615 CE LYS A 38 30.154 20.594 -4.365 1.00 20.88 C ATOM 616 NZ LYS A 38 30.994 19.820 -5.322 1.00 29.41 N ATOM 0 H LYS A 38 28.213 20.946 0.595 1.00 12.68 H new ATOM 0 HA LYS A 38 30.778 20.202 -0.269 1.00 12.78 H new ATOM 0 HB2 LYS A 38 28.824 22.371 -1.128 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.344 22.141 -1.968 1.00 11.68 H new ATOM 0 HG2 LYS A 38 28.588 19.722 -1.450 1.00 12.28 H new ATOM 0 HG3 LYS A 38 28.149 20.817 -2.746 1.00 12.28 H new ATOM 0 HD2 LYS A 38 31.015 19.824 -2.537 1.00 13.74 H new ATOM 0 HD3 LYS A 38 29.793 18.783 -3.240 1.00 13.74 H new ATOM 0 HE2 LYS A 38 29.161 20.756 -4.784 1.00 20.88 H new ATOM 0 HE3 LYS A 38 30.591 21.577 -4.192 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 31.066 20.340 -6.220 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 31.944 19.687 -4.921 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 30.558 18.892 -5.494 1.00 29.41 H new ATOM 630 N GLN A 39 32.140 22.595 -0.336 1.00 0.00 N ATOM 631 CA GLN A 39 33.155 23.598 0.110 1.00 0.00 C ATOM 632 C GLN A 39 32.480 24.828 0.736 1.00 0.00 C ATOM 633 O GLN A 39 31.767 24.730 1.714 1.00 0.00 O ATOM 634 CB GLN A 39 34.003 24.030 -1.091 1.00 0.00 C ATOM 635 CG GLN A 39 34.892 22.867 -1.535 1.00 0.00 C ATOM 636 CD GLN A 39 34.020 21.739 -2.087 1.00 0.00 C ATOM 637 OE1 GLN A 39 33.133 22.007 -3.006 1.00 0.00 O flip ATOM 638 NE2 GLN A 39 34.146 20.602 -1.678 1.00 0.00 N flip ATOM 0 H GLN A 39 32.238 22.290 -1.304 1.00 0.00 H new ATOM 0 HA GLN A 39 33.789 23.136 0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 39 33.357 24.342 -1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.618 24.890 -0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 39 35.595 23.203 -2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 39 35.483 22.505 -0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 39 34.839 20.392 -0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 39 33.559 19.857 -2.053 1.00 0.00 H new ATOM 647 N GLY A 40 32.729 25.990 0.192 1.00 11.96 N ATOM 648 CA GLY A 40 32.136 27.233 0.763 1.00 8.67 C ATOM 649 C GLY A 40 30.624 27.263 0.548 1.00 10.51 C ATOM 650 O GLY A 40 30.072 28.255 0.115 1.00 15.27 O ATOM 0 H GLY A 40 33.320 26.131 -0.627 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.357 27.290 1.829 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.591 28.106 0.296 1.00 8.67 H new ATOM 654 N LEU A 41 29.946 26.194 0.861 1.00 8.78 N ATOM 655 CA LEU A 41 28.461 26.176 0.684 1.00 6.78 C ATOM 656 C LEU A 41 27.786 26.406 2.037 1.00 7.45 C ATOM 657 O LEU A 41 26.627 26.764 2.112 1.00 2.18 O ATOM 658 CB LEU A 41 28.026 24.820 0.110 1.00 6.98 C ATOM 659 CG LEU A 41 27.174 25.023 -1.156 1.00 7.77 C ATOM 660 CD1 LEU A 41 28.094 25.158 -2.372 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.233 23.823 -1.356 1.00 6.68 C ATOM 0 H LEU A 41 30.351 25.334 1.230 1.00 8.78 H new ATOM 0 HA LEU A 41 28.167 26.967 -0.006 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.904 24.219 -0.127 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.455 24.268 0.856 1.00 6.98 H new ATOM 0 HG LEU A 41 26.578 25.928 -1.044 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.492 25.302 -3.269 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.753 26.015 -2.236 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.692 24.253 -2.478 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.634 23.976 -2.254 1.00 6.68 H new ATOM 0 HD22 LEU A 41 26.822 22.912 -1.463 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.574 23.729 -0.493 1.00 6.68 H new ATOM 673 N LEU A 42 28.507 26.210 3.106 1.00 7.13 N ATOM 674 CA LEU A 42 27.919 26.423 4.459 1.00 6.20 C ATOM 675 C LEU A 42 28.471 27.724 5.037 1.00 5.03 C ATOM 676 O LEU A 42 29.668 27.923 5.097 1.00 5.38 O ATOM 677 CB LEU A 42 28.310 25.260 5.372 1.00 3.82 C ATOM 678 CG LEU A 42 27.814 25.520 6.798 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.295 25.728 6.796 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.165 24.316 7.674 1.00 2.48 C ATOM 0 H LEU A 42 29.482 25.910 3.101 1.00 7.13 H new ATOM 0 HA LEU A 42 26.833 26.478 4.386 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.883 24.331 4.994 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.393 25.136 5.372 1.00 3.82 H new ATOM 0 HG LEU A 42 28.292 26.417 7.191 1.00 3.80 H new ATOM 0 HD11 LEU A 42 25.952 25.912 7.814 1.00 3.57 H new ATOM 0 HD12 LEU A 42 26.046 26.584 6.169 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.806 24.836 6.404 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.816 24.492 8.691 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.684 23.423 7.275 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.246 24.174 7.681 1.00 2.48 H new ATOM 692 N GLU A 43 27.616 28.614 5.461 1.00 5.92 N ATOM 693 CA GLU A 43 28.107 29.901 6.033 1.00 7.54 C ATOM 694 C GLU A 43 27.249 30.290 7.238 1.00 6.00 C ATOM 695 O GLU A 43 26.170 29.770 7.443 1.00 4.97 O ATOM 696 CB GLU A 43 28.019 30.999 4.967 1.00 8.77 C ATOM 697 CG GLU A 43 28.350 32.358 5.593 1.00 16.17 C ATOM 698 CD GLU A 43 28.655 33.372 4.487 1.00 21.65 C ATOM 699 OE1 GLU A 43 28.043 33.275 3.436 1.00 22.03 O ATOM 700 OE2 GLU A 43 29.495 34.229 4.711 1.00 19.19 O ATOM 0 H GLU A 43 26.602 28.507 5.437 1.00 5.92 H new ATOM 0 HA GLU A 43 29.143 29.783 6.351 1.00 7.54 H new ATOM 0 HB2 GLU A 43 28.712 30.785 4.153 1.00 8.77 H new ATOM 0 HB3 GLU A 43 27.018 31.021 4.536 1.00 8.77 H new ATOM 0 HG2 GLU A 43 27.512 32.705 6.198 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.207 32.264 6.260 1.00 16.17 H new ATOM 707 N PHE A 44 27.723 31.215 8.025 1.00 7.78 N ATOM 708 CA PHE A 44 26.956 31.676 9.216 1.00 9.60 C ATOM 709 C PHE A 44 26.833 33.195 9.126 1.00 6.71 C ATOM 710 O PHE A 44 27.816 33.909 9.156 1.00 6.85 O ATOM 711 CB PHE A 44 27.704 31.275 10.490 1.00 12.09 C ATOM 712 CG PHE A 44 28.149 29.837 10.363 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.251 28.798 10.638 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.456 29.541 9.954 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.660 27.466 10.506 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.865 28.208 9.825 1.00 16.33 C ATOM 717 CZ PHE A 44 28.966 27.171 10.100 1.00 10.85 C ATOM 0 H PHE A 44 28.622 31.678 7.891 1.00 7.78 H new ATOM 0 HA PHE A 44 25.966 31.221 9.244 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.566 31.925 10.641 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.058 31.394 11.360 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.243 29.025 10.952 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.148 30.341 9.738 1.00 15.90 H new ATOM 0 HE1 PHE A 44 26.967 26.665 10.718 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.874 27.980 9.513 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.281 26.143 9.999 1.00 10.85 H new ATOM 727 N VAL A 45 25.638 33.692 8.972 1.00 6.10 N ATOM 728 CA VAL A 45 25.451 35.163 8.825 1.00 6.58 C ATOM 729 C VAL A 45 25.132 35.816 10.172 1.00 6.12 C ATOM 730 O VAL A 45 24.013 35.783 10.643 1.00 5.14 O ATOM 731 CB VAL A 45 24.294 35.413 7.852 1.00 5.25 C ATOM 732 CG1 VAL A 45 23.871 36.884 7.900 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.741 35.060 6.432 1.00 2.33 C ATOM 0 H VAL A 45 24.780 33.142 8.941 1.00 6.10 H new ATOM 0 HA VAL A 45 26.374 35.601 8.446 1.00 6.58 H new ATOM 0 HB VAL A 45 23.447 34.790 8.140 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.048 37.049 7.204 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.548 37.137 8.910 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.715 37.515 7.620 1.00 2.00 H new ATOM 0 HG21 VAL A 45 23.920 35.237 5.737 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.592 35.681 6.153 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.030 34.010 6.392 1.00 2.33 H new ATOM 743 N ASP A 46 26.101 36.447 10.776 1.00 6.79 N ATOM 744 CA ASP A 46 25.843 37.143 12.061 1.00 6.49 C ATOM 745 C ASP A 46 25.196 38.491 11.732 1.00 9.11 C ATOM 746 O ASP A 46 25.862 39.427 11.338 1.00 7.52 O ATOM 747 CB ASP A 46 27.164 37.362 12.798 1.00 7.84 C ATOM 748 CG ASP A 46 27.947 36.048 12.845 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.372 35.025 12.510 1.00 10.50 O ATOM 750 OD2 ASP A 46 29.108 36.087 13.216 1.00 15.32 O ATOM 0 H ASP A 46 27.059 36.509 10.433 1.00 6.79 H new ATOM 0 HA ASP A 46 25.187 36.551 12.699 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.751 38.129 12.294 1.00 7.84 H new ATOM 0 HB3 ASP A 46 26.973 37.720 13.810 1.00 7.84 H new ATOM 755 N ILE A 47 23.901 38.588 11.852 1.00 8.21 N ATOM 756 CA ILE A 47 23.215 39.867 11.503 1.00 8.33 C ATOM 757 C ILE A 47 23.713 41.009 12.391 1.00 10.92 C ATOM 758 O ILE A 47 23.252 42.128 12.285 1.00 9.40 O ATOM 759 CB ILE A 47 21.704 39.704 11.666 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.391 39.121 13.045 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.181 38.758 10.584 1.00 3.40 C ATOM 762 CD1 ILE A 47 19.919 39.368 13.380 1.00 7.93 C ATOM 0 H ILE A 47 23.288 37.840 12.176 1.00 8.21 H new ATOM 0 HA ILE A 47 23.444 40.111 10.466 1.00 8.33 H new ATOM 0 HB ILE A 47 21.222 40.677 11.571 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.603 38.052 13.057 1.00 6.34 H new ATOM 0 HG13 ILE A 47 22.029 39.581 13.800 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.103 38.638 10.695 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.400 39.174 9.600 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.666 37.787 10.684 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.695 38.953 14.363 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.722 40.440 13.385 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.290 38.887 12.631 1.00 7.93 H new ATOM 774 N THR A 48 24.653 40.749 13.257 1.00 13.41 N ATOM 775 CA THR A 48 25.170 41.842 14.132 1.00 16.67 C ATOM 776 C THR A 48 26.420 42.448 13.490 1.00 16.58 C ATOM 777 O THR A 48 26.808 43.560 13.788 1.00 18.03 O ATOM 778 CB THR A 48 25.511 41.277 15.516 1.00 15.80 C ATOM 779 OG1 THR A 48 25.607 42.346 16.447 1.00 21.06 O ATOM 780 CG2 THR A 48 26.842 40.526 15.466 1.00 21.72 C ATOM 0 H THR A 48 25.084 39.835 13.397 1.00 13.41 H new ATOM 0 HA THR A 48 24.410 42.615 14.245 1.00 16.67 H new ATOM 0 HB THR A 48 24.726 40.586 15.823 1.00 15.80 H new ATOM 0 HG1 THR A 48 25.823 41.989 17.334 1.00 21.06 H new ATOM 0 HG21 THR A 48 27.073 40.129 16.455 1.00 21.72 H new ATOM 0 HG22 THR A 48 26.770 39.704 14.753 1.00 21.72 H new ATOM 0 HG23 THR A 48 27.633 41.208 15.154 1.00 21.72 H new ATOM 788 N ALA A 49 27.048 41.727 12.601 1.00 15.36 N ATOM 789 CA ALA A 49 28.265 42.264 11.931 1.00 18.08 C ATOM 790 C ALA A 49 27.849 43.282 10.866 1.00 20.63 C ATOM 791 O ALA A 49 28.633 43.666 10.021 1.00 22.45 O ATOM 792 CB ALA A 49 29.033 41.118 11.269 1.00 18.76 C ATOM 0 H ALA A 49 26.770 40.790 12.310 1.00 15.36 H new ATOM 0 HA ALA A 49 28.904 42.748 12.670 1.00 18.08 H new ATOM 0 HB1 ALA A 49 29.923 41.512 10.779 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.327 40.392 12.027 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.396 40.633 10.529 1.00 18.76 H new ATOM 798 N THR A 50 26.617 43.719 10.896 1.00 22.30 N ATOM 799 CA THR A 50 26.147 44.708 9.881 1.00 25.27 C ATOM 800 C THR A 50 25.228 45.739 10.544 1.00 24.34 C ATOM 801 O THR A 50 24.942 46.776 9.980 1.00 25.49 O ATOM 802 CB THR A 50 25.375 43.977 8.779 1.00 22.85 C ATOM 803 OG1 THR A 50 24.953 44.913 7.797 1.00 23.28 O ATOM 804 CG2 THR A 50 24.154 43.282 9.383 1.00 25.63 C ATOM 0 H THR A 50 25.916 43.434 11.580 1.00 22.30 H new ATOM 0 HA THR A 50 27.009 45.218 9.452 1.00 25.27 H new ATOM 0 HB THR A 50 26.022 43.232 8.316 1.00 22.85 H new ATOM 0 HG1 THR A 50 24.708 44.438 6.976 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.606 42.762 8.597 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.479 42.563 10.135 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.505 44.025 9.848 1.00 25.63 H new ATOM 812 N ASN A 51 24.764 45.460 11.733 1.00 0.00 N ATOM 813 CA ASN A 51 23.863 46.416 12.444 1.00 0.00 C ATOM 814 C ASN A 51 22.444 46.287 11.883 1.00 0.00 C ATOM 815 O ASN A 51 22.173 45.449 11.046 1.00 0.00 O ATOM 816 CB ASN A 51 24.364 47.857 12.275 1.00 0.00 C ATOM 817 CG ASN A 51 25.894 47.872 12.246 1.00 0.00 C ATOM 818 OD1 ASN A 51 26.533 47.040 12.858 1.00 0.00 O ATOM 819 ND2 ASN A 51 26.513 48.792 11.557 1.00 0.00 N ATOM 0 H ASN A 51 24.972 44.604 12.247 1.00 0.00 H new ATOM 0 HA ASN A 51 23.860 46.176 13.507 1.00 0.00 H new ATOM 0 HB2 ASN A 51 23.969 48.284 11.353 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.000 48.477 13.094 1.00 0.00 H new ATOM 0 HD21 ASN A 51 27.533 48.812 11.533 1.00 0.00 H new ATOM 0 HD22 ASN A 51 25.977 49.491 11.043 1.00 0.00 H new ATOM 826 N HIS A 52 21.535 47.106 12.338 1.00 0.00 N ATOM 827 CA HIS A 52 20.135 47.021 11.830 1.00 0.00 C ATOM 828 C HIS A 52 19.595 45.613 12.085 1.00 0.00 C ATOM 829 O HIS A 52 18.773 45.109 11.346 1.00 0.00 O ATOM 830 CB HIS A 52 20.105 47.315 10.323 1.00 0.00 C ATOM 831 CG HIS A 52 21.285 48.167 9.943 1.00 0.00 C ATOM 832 ND1 HIS A 52 22.281 47.710 9.096 1.00 0.00 N ATOM 833 CD2 HIS A 52 21.640 49.449 10.282 1.00 0.00 C ATOM 834 CE1 HIS A 52 23.179 48.701 8.953 1.00 0.00 C ATOM 835 NE2 HIS A 52 22.837 49.785 9.655 1.00 0.00 N ATOM 0 H HIS A 52 21.700 47.829 13.038 1.00 0.00 H new ATOM 0 HA HIS A 52 19.517 47.755 12.348 1.00 0.00 H new ATOM 0 HB2 HIS A 52 20.124 46.381 9.761 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.178 47.825 10.062 1.00 0.00 H new ATOM 0 HD2 HIS A 52 21.077 50.098 10.936 1.00 0.00 H new ATOM 0 HE1 HIS A 52 24.068 48.629 8.345 1.00 0.00 H new ATOM 0 HE2 HIS A 52 23.343 50.668 9.718 1.00 0.00 H new ATOM 843 N THR A 53 20.055 44.970 13.123 1.00 18.27 N ATOM 844 CA THR A 53 19.574 43.591 13.423 1.00 16.01 C ATOM 845 C THR A 53 18.052 43.526 13.274 1.00 16.57 C ATOM 846 O THR A 53 17.525 42.694 12.562 1.00 18.87 O ATOM 847 CB THR A 53 19.959 43.217 14.859 1.00 15.02 C ATOM 848 OG1 THR A 53 19.797 44.351 15.700 1.00 13.32 O ATOM 849 CG2 THR A 53 21.417 42.756 14.899 1.00 9.59 C ATOM 0 H THR A 53 20.744 45.340 13.777 1.00 18.27 H new ATOM 0 HA THR A 53 20.034 42.892 12.725 1.00 16.01 H new ATOM 0 HB THR A 53 19.317 42.408 15.207 1.00 15.02 H new ATOM 0 HG1 THR A 53 18.861 44.416 15.985 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.687 42.491 15.921 1.00 9.59 H new ATOM 0 HG22 THR A 53 21.541 41.886 14.254 1.00 9.59 H new ATOM 0 HG23 THR A 53 22.063 43.562 14.550 1.00 9.59 H new ATOM 857 N ASN A 54 17.341 44.386 13.948 1.00 13.94 N ATOM 858 CA ASN A 54 15.852 44.359 13.861 1.00 18.93 C ATOM 859 C ASN A 54 15.393 44.436 12.403 1.00 16.34 C ATOM 860 O ASN A 54 14.425 43.811 12.025 1.00 15.61 O ATOM 861 CB ASN A 54 15.277 45.545 14.636 1.00 24.12 C ATOM 862 CG ASN A 54 15.939 45.626 16.013 1.00 35.27 C ATOM 863 OD1 ASN A 54 16.765 44.803 16.351 1.00 45.21 O ATOM 864 ND2 ASN A 54 15.609 46.592 16.826 1.00 37.58 N ATOM 0 H ASN A 54 17.726 45.108 14.557 1.00 13.94 H new ATOM 0 HA ASN A 54 15.495 43.423 14.291 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.447 46.470 14.085 1.00 24.12 H new ATOM 0 HB3 ASN A 54 14.198 45.433 14.746 1.00 24.12 H new ATOM 0 HD21 ASN A 54 16.045 46.656 17.746 1.00 37.58 H new ATOM 0 HD22 ASN A 54 14.915 47.283 16.542 1.00 37.58 H new ATOM 871 N GLU A 55 16.062 45.196 11.582 1.00 16.09 N ATOM 872 CA GLU A 55 15.627 45.301 10.161 1.00 15.04 C ATOM 873 C GLU A 55 15.720 43.928 9.492 1.00 15.56 C ATOM 874 O GLU A 55 14.809 43.501 8.811 1.00 18.95 O ATOM 875 CB GLU A 55 16.527 46.295 9.421 1.00 18.55 C ATOM 876 CG GLU A 55 16.180 47.727 9.843 1.00 23.55 C ATOM 877 CD GLU A 55 16.071 47.815 11.367 1.00 30.41 C ATOM 878 OE1 GLU A 55 17.100 47.948 12.008 1.00 31.49 O ATOM 879 OE2 GLU A 55 14.960 47.747 11.867 1.00 33.02 O ATOM 0 H GLU A 55 16.885 45.745 11.830 1.00 16.09 H new ATOM 0 HA GLU A 55 14.595 45.651 10.124 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.574 46.085 9.641 1.00 18.55 H new ATOM 0 HB3 GLU A 55 16.399 46.183 8.344 1.00 18.55 H new ATOM 0 HG2 GLU A 55 16.946 48.415 9.485 1.00 23.55 H new ATOM 0 HG3 GLU A 55 15.239 48.031 9.385 1.00 23.55 H new ATOM 886 N ILE A 56 16.807 43.230 9.673 1.00 9.56 N ATOM 887 CA ILE A 56 16.930 41.892 9.033 1.00 8.91 C ATOM 888 C ILE A 56 15.899 40.934 9.642 1.00 7.70 C ATOM 889 O ILE A 56 15.096 40.358 8.938 1.00 9.84 O ATOM 890 CB ILE A 56 18.346 41.345 9.238 1.00 5.82 C ATOM 891 CG1 ILE A 56 19.322 42.083 8.302 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.367 39.844 8.918 1.00 2.31 C ATOM 893 CD1 ILE A 56 19.897 43.310 9.016 1.00 8.03 C ATOM 0 H ILE A 56 17.608 43.525 10.231 1.00 9.56 H new ATOM 0 HA ILE A 56 16.741 41.984 7.963 1.00 8.91 H new ATOM 0 HB ILE A 56 18.648 41.500 10.274 1.00 5.82 H new ATOM 0 HG12 ILE A 56 20.129 41.414 8.002 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.806 42.389 7.392 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.375 39.455 9.064 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.677 39.321 9.580 1.00 2.31 H new ATOM 0 HG23 ILE A 56 18.064 39.688 7.882 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.587 43.829 8.350 1.00 8.03 H new ATOM 0 HD12 ILE A 56 19.086 43.983 9.294 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.428 42.993 9.913 1.00 8.03 H new ATOM 905 N GLN A 57 15.897 40.759 10.938 1.00 7.49 N ATOM 906 CA GLN A 57 14.895 39.835 11.544 1.00 6.88 C ATOM 907 C GLN A 57 13.511 40.314 11.135 1.00 9.50 C ATOM 908 O GLN A 57 12.644 39.535 10.793 1.00 11.03 O ATOM 909 CB GLN A 57 15.006 39.856 13.068 1.00 11.02 C ATOM 910 CG GLN A 57 16.478 39.961 13.476 1.00 12.13 C ATOM 911 CD GLN A 57 16.746 39.069 14.693 1.00 16.77 C ATOM 912 OE1 GLN A 57 17.297 37.993 14.564 1.00 17.49 O ATOM 913 NE2 GLN A 57 16.375 39.473 15.877 1.00 17.84 N ATOM 0 H GLN A 57 16.536 41.209 11.594 1.00 7.49 H new ATOM 0 HA GLN A 57 15.073 38.817 11.198 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.446 40.699 13.472 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.566 38.951 13.487 1.00 11.02 H new ATOM 0 HG2 GLN A 57 17.117 39.660 12.646 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.727 40.996 13.711 1.00 12.13 H new ATOM 0 HE21 GLN A 57 15.913 40.376 15.986 1.00 17.84 H new ATOM 0 HE22 GLN A 57 16.547 38.886 16.693 1.00 17.84 H new ATOM 922 N ASP A 58 13.307 41.600 11.136 1.00 13.48 N ATOM 923 CA ASP A 58 11.989 42.128 10.712 1.00 13.94 C ATOM 924 C ASP A 58 11.712 41.571 9.323 1.00 13.32 C ATOM 925 O ASP A 58 10.587 41.295 8.956 1.00 14.28 O ATOM 926 CB ASP A 58 12.041 43.657 10.656 1.00 12.80 C ATOM 927 CG ASP A 58 11.864 44.228 12.064 1.00 17.19 C ATOM 928 OD1 ASP A 58 11.971 43.464 13.009 1.00 18.84 O ATOM 929 OD2 ASP A 58 11.623 45.419 12.173 1.00 15.13 O ATOM 0 H ASP A 58 13.993 42.303 11.411 1.00 13.48 H new ATOM 0 HA ASP A 58 11.206 41.836 11.412 1.00 13.94 H new ATOM 0 HB2 ASP A 58 12.993 43.984 10.237 1.00 12.80 H new ATOM 0 HB3 ASP A 58 11.257 44.034 9.999 1.00 12.80 H new ATOM 934 N TYR A 59 12.750 41.381 8.558 1.00 12.69 N ATOM 935 CA TYR A 59 12.578 40.811 7.194 1.00 10.10 C ATOM 936 C TYR A 59 12.393 39.297 7.313 1.00 7.75 C ATOM 937 O TYR A 59 11.492 38.726 6.733 1.00 5.81 O ATOM 938 CB TYR A 59 13.808 41.117 6.336 1.00 12.40 C ATOM 939 CG TYR A 59 13.499 40.790 4.895 1.00 12.76 C ATOM 940 CD1 TYR A 59 12.837 41.724 4.089 1.00 11.52 C ATOM 941 CD2 TYR A 59 13.872 39.550 4.367 1.00 6.81 C ATOM 942 CE1 TYR A 59 12.548 41.416 2.755 1.00 8.47 C ATOM 943 CE2 TYR A 59 13.584 39.242 3.032 1.00 10.94 C ATOM 944 CZ TYR A 59 12.921 40.175 2.226 1.00 9.37 C ATOM 945 OH TYR A 59 12.635 39.870 0.911 1.00 12.99 O ATOM 0 H TYR A 59 13.712 41.596 8.820 1.00 12.69 H new ATOM 0 HA TYR A 59 11.704 41.256 6.719 1.00 10.10 H new ATOM 0 HB2 TYR A 59 14.082 42.168 6.433 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.661 40.532 6.680 1.00 12.40 H new ATOM 0 HD1 TYR A 59 12.550 42.682 4.497 1.00 11.52 H new ATOM 0 HD2 TYR A 59 14.382 38.830 4.989 1.00 6.81 H new ATOM 0 HE1 TYR A 59 12.037 42.136 2.133 1.00 8.47 H new ATOM 0 HE2 TYR A 59 13.873 38.285 2.624 1.00 10.94 H new ATOM 0 HH TYR A 59 12.395 40.689 0.430 1.00 12.99 H new ATOM 955 N LEU A 60 13.235 38.642 8.071 1.00 10.71 N ATOM 956 CA LEU A 60 13.090 37.168 8.231 1.00 11.04 C ATOM 957 C LEU A 60 11.670 36.873 8.704 1.00 10.32 C ATOM 958 O LEU A 60 11.081 35.867 8.366 1.00 14.61 O ATOM 959 CB LEU A 60 14.083 36.649 9.280 1.00 7.24 C ATOM 960 CG LEU A 60 15.508 37.080 8.926 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.471 36.571 10.002 1.00 9.54 C ATOM 962 CD2 LEU A 60 15.905 36.488 7.571 1.00 7.23 C ATOM 0 H LEU A 60 14.011 39.063 8.582 1.00 10.71 H new ATOM 0 HA LEU A 60 13.290 36.676 7.279 1.00 11.04 H new ATOM 0 HB2 LEU A 60 13.815 37.032 10.265 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.028 35.562 9.335 1.00 7.24 H new ATOM 0 HG LEU A 60 15.555 38.168 8.873 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.488 36.876 9.754 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.192 36.991 10.968 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.420 35.483 10.051 1.00 9.54 H new ATOM 0 HD21 LEU A 60 16.920 36.797 7.322 1.00 7.23 H new ATOM 0 HD22 LEU A 60 15.859 35.400 7.622 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.219 36.845 6.803 1.00 7.23 H new ATOM 974 N GLN A 61 11.123 37.756 9.486 1.00 10.78 N ATOM 975 CA GLN A 61 9.743 37.561 10.001 1.00 11.72 C ATOM 976 C GLN A 61 8.762 37.448 8.828 1.00 14.05 C ATOM 977 O GLN A 61 8.021 36.493 8.719 1.00 14.24 O ATOM 978 CB GLN A 61 9.380 38.767 10.880 1.00 17.47 C ATOM 979 CG GLN A 61 7.867 38.839 11.107 1.00 25.06 C ATOM 980 CD GLN A 61 7.382 37.564 11.796 1.00 31.26 C ATOM 981 OE1 GLN A 61 6.434 36.859 11.242 1.00 40.45 O flip ATOM 982 NE2 GLN A 61 7.866 37.209 12.853 1.00 30.05 N flip ATOM 0 H GLN A 61 11.579 38.615 9.794 1.00 10.78 H new ATOM 0 HA GLN A 61 9.686 36.644 10.588 1.00 11.72 H new ATOM 0 HB2 GLN A 61 9.893 38.691 11.839 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.725 39.686 10.405 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.623 39.708 11.718 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.353 38.965 10.154 1.00 25.06 H new ATOM 0 HE21 GLN A 61 8.607 37.761 13.285 1.00 30.05 H new ATOM 0 HE22 GLN A 61 7.531 36.359 13.308 1.00 30.05 H new ATOM 991 N GLN A 62 8.736 38.421 7.961 1.00 15.71 N ATOM 992 CA GLN A 62 7.783 38.370 6.814 1.00 18.54 C ATOM 993 C GLN A 62 8.140 37.231 5.849 1.00 19.36 C ATOM 994 O GLN A 62 7.292 36.449 5.468 1.00 19.52 O ATOM 995 CB GLN A 62 7.820 39.699 6.057 1.00 25.59 C ATOM 996 CG GLN A 62 6.595 39.797 5.145 1.00 34.08 C ATOM 997 CD GLN A 62 6.729 41.014 4.228 1.00 38.28 C ATOM 998 OE1 GLN A 62 6.203 42.069 4.519 1.00 41.81 O ATOM 999 NE2 GLN A 62 7.417 40.909 3.124 1.00 36.81 N ATOM 0 H GLN A 62 9.331 39.248 7.995 1.00 15.71 H new ATOM 0 HA GLN A 62 6.783 38.191 7.210 1.00 18.54 H new ATOM 0 HB2 GLN A 62 7.831 40.531 6.761 1.00 25.59 H new ATOM 0 HB3 GLN A 62 8.734 39.769 5.467 1.00 25.59 H new ATOM 0 HG2 GLN A 62 6.500 38.889 4.549 1.00 34.08 H new ATOM 0 HG3 GLN A 62 5.689 39.880 5.745 1.00 34.08 H new ATOM 0 HE21 GLN A 62 7.858 40.022 2.881 1.00 36.81 H new ATOM 0 HE22 GLN A 62 7.513 41.714 2.505 1.00 36.81 H new ATOM 1008 N LEU A 63 9.373 37.140 5.428 1.00 17.09 N ATOM 1009 CA LEU A 63 9.745 36.059 4.465 1.00 16.00 C ATOM 1010 C LEU A 63 9.543 34.680 5.097 1.00 11.34 C ATOM 1011 O LEU A 63 9.178 33.733 4.429 1.00 10.68 O ATOM 1012 CB LEU A 63 11.212 36.217 4.047 1.00 19.91 C ATOM 1013 CG LEU A 63 11.550 35.189 2.952 1.00 21.77 C ATOM 1014 CD1 LEU A 63 12.366 35.845 1.834 1.00 21.25 C ATOM 1015 CD2 LEU A 63 12.364 34.040 3.554 1.00 19.51 C ATOM 0 H LEU A 63 10.134 37.760 5.705 1.00 17.09 H new ATOM 0 HA LEU A 63 9.102 36.143 3.589 1.00 16.00 H new ATOM 0 HB2 LEU A 63 11.389 37.227 3.679 1.00 19.91 H new ATOM 0 HB3 LEU A 63 11.864 36.073 4.909 1.00 19.91 H new ATOM 0 HG LEU A 63 10.617 34.807 2.538 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.596 35.104 1.069 1.00 21.25 H new ATOM 0 HD12 LEU A 63 11.789 36.657 1.391 1.00 21.25 H new ATOM 0 HD13 LEU A 63 13.294 36.242 2.246 1.00 21.25 H new ATOM 0 HD21 LEU A 63 12.601 33.315 2.775 1.00 19.51 H new ATOM 0 HD22 LEU A 63 13.288 34.432 3.978 1.00 19.51 H new ATOM 0 HD23 LEU A 63 11.783 33.554 4.338 1.00 19.51 H new ATOM 1027 N THR A 64 9.783 34.557 6.371 1.00 10.04 N ATOM 1028 CA THR A 64 9.611 33.231 7.048 1.00 8.87 C ATOM 1029 C THR A 64 8.412 33.282 7.997 1.00 10.75 C ATOM 1030 O THR A 64 7.391 32.666 7.762 1.00 11.38 O ATOM 1031 CB THR A 64 10.866 32.893 7.864 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.865 33.649 9.067 1.00 6.36 O ATOM 1033 CG2 THR A 64 12.126 33.219 7.063 1.00 6.96 C ATOM 0 H THR A 64 10.092 35.316 6.979 1.00 10.04 H new ATOM 0 HA THR A 64 9.449 32.470 6.285 1.00 8.87 H new ATOM 0 HB THR A 64 10.859 31.828 8.095 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.219 34.546 8.890 1.00 6.36 H new ATOM 0 HG21 THR A 64 13.007 32.974 7.655 1.00 6.96 H new ATOM 0 HG22 THR A 64 12.133 32.635 6.143 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.137 34.281 6.819 1.00 6.96 H new ATOM 1041 N GLY A 65 8.538 34.001 9.078 1.00 10.19 N ATOM 1042 CA GLY A 65 7.425 34.089 10.064 1.00 13.28 C ATOM 1043 C GLY A 65 8.023 34.228 11.463 1.00 14.66 C ATOM 1044 O GLY A 65 7.558 34.998 12.277 1.00 14.79 O ATOM 0 H GLY A 65 9.372 34.536 9.322 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.787 34.943 9.839 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.798 33.199 10.007 1.00 13.28 H new ATOM 1048 N ALA A 66 9.057 33.483 11.744 1.00 12.02 N ATOM 1049 CA ALA A 66 9.701 33.563 13.085 1.00 9.85 C ATOM 1050 C ALA A 66 10.929 34.470 13.023 1.00 14.04 C ATOM 1051 O ALA A 66 11.695 34.442 12.080 1.00 17.81 O ATOM 1052 CB ALA A 66 10.129 32.165 13.529 1.00 13.74 C ATOM 0 H ALA A 66 9.485 32.819 11.099 1.00 12.02 H new ATOM 0 HA ALA A 66 8.986 33.974 13.798 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.600 32.223 14.510 1.00 13.74 H new ATOM 0 HB2 ALA A 66 9.254 31.517 13.584 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.838 31.756 12.810 1.00 13.74 H new ATOM 1058 N ARG A 67 11.125 35.260 14.041 1.00 15.81 N ATOM 1059 CA ARG A 67 12.304 36.167 14.093 1.00 16.07 C ATOM 1060 C ARG A 67 13.260 35.647 15.170 1.00 14.37 C ATOM 1061 O ARG A 67 14.037 36.383 15.746 1.00 14.43 O ATOM 1062 CB ARG A 67 11.837 37.585 14.446 1.00 15.97 C ATOM 1063 CG ARG A 67 10.938 37.566 15.700 1.00 17.12 C ATOM 1064 CD ARG A 67 11.719 38.065 16.920 1.00 22.31 C ATOM 1065 NE ARG A 67 12.302 39.406 16.633 1.00 23.80 N ATOM 1066 CZ ARG A 67 12.736 40.149 17.615 1.00 23.98 C ATOM 1067 NH1 ARG A 67 12.657 39.715 18.843 1.00 29.76 N ATOM 1068 NH2 ARG A 67 13.247 41.323 17.368 1.00 21.50 N ATOM 0 H ARG A 67 10.508 35.316 14.851 1.00 15.81 H new ATOM 0 HA ARG A 67 12.811 36.193 13.128 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.702 38.225 14.622 1.00 15.97 H new ATOM 0 HB3 ARG A 67 11.289 38.013 13.606 1.00 15.97 H new ATOM 0 HG2 ARG A 67 10.062 38.195 15.538 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.575 36.554 15.881 1.00 17.12 H new ATOM 0 HD2 ARG A 67 11.060 38.123 17.786 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.512 37.360 17.169 1.00 22.31 H new ATOM 0 HE ARG A 67 12.362 39.743 15.672 1.00 23.80 H new ATOM 0 HH11 ARG A 67 12.257 38.797 19.035 1.00 29.76 H new ATOM 0 HH12 ARG A 67 12.996 40.294 19.611 1.00 29.76 H new ATOM 0 HH21 ARG A 67 13.308 41.661 16.408 1.00 21.50 H new ATOM 0 HH22 ARG A 67 13.586 41.903 18.135 1.00 21.50 H new ATOM 1082 N THR A 68 13.179 34.376 15.456 1.00 13.52 N ATOM 1083 CA THR A 68 14.041 33.772 16.511 1.00 14.97 C ATOM 1084 C THR A 68 15.452 33.492 15.973 1.00 12.85 C ATOM 1085 O THR A 68 15.735 33.645 14.801 1.00 10.80 O ATOM 1086 CB THR A 68 13.394 32.453 16.967 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.158 32.286 16.290 1.00 18.26 O ATOM 1088 CG2 THR A 68 13.140 32.476 18.477 1.00 14.06 C ATOM 0 H THR A 68 12.544 33.723 14.997 1.00 13.52 H new ATOM 0 HA THR A 68 14.129 34.467 17.346 1.00 14.97 H new ATOM 0 HB THR A 68 14.067 31.628 16.735 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.740 31.446 16.574 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.682 31.536 18.783 1.00 14.06 H new ATOM 0 HG22 THR A 68 14.086 32.607 19.003 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.471 33.302 18.721 1.00 14.06 H new ATOM 1096 N VAL A 69 16.330 33.072 16.845 1.00 8.20 N ATOM 1097 CA VAL A 69 17.733 32.754 16.450 1.00 5.92 C ATOM 1098 C VAL A 69 17.971 31.265 16.752 1.00 5.25 C ATOM 1099 O VAL A 69 17.597 30.813 17.808 1.00 5.78 O ATOM 1100 CB VAL A 69 18.686 33.603 17.306 1.00 4.36 C ATOM 1101 CG1 VAL A 69 20.100 33.552 16.736 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.204 35.057 17.334 1.00 4.08 C ATOM 0 H VAL A 69 16.129 32.933 17.835 1.00 8.20 H new ATOM 0 HA VAL A 69 17.905 32.964 15.394 1.00 5.92 H new ATOM 0 HB VAL A 69 18.695 33.200 18.319 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.763 34.158 17.353 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.453 32.521 16.729 1.00 2.07 H new ATOM 0 HG13 VAL A 69 20.096 33.941 15.718 1.00 2.07 H new ATOM 0 HG21 VAL A 69 18.884 35.654 17.942 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.183 35.453 16.319 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.202 35.100 17.761 1.00 4.08 H new ATOM 1112 N PRO A 70 18.566 30.525 15.843 1.00 5.33 N ATOM 1113 CA PRO A 70 19.052 31.010 14.533 1.00 6.04 C ATOM 1114 C PRO A 70 17.908 31.105 13.516 1.00 7.79 C ATOM 1115 O PRO A 70 16.741 31.053 13.847 1.00 7.15 O ATOM 1116 CB PRO A 70 20.026 29.904 14.086 1.00 3.22 C ATOM 1117 CG PRO A 70 19.644 28.630 14.876 1.00 6.88 C ATOM 1118 CD PRO A 70 18.807 29.089 16.080 1.00 6.17 C ATOM 0 HA PRO A 70 19.498 32.002 14.601 1.00 6.04 H new ATOM 0 HB2 PRO A 70 19.949 29.731 13.012 1.00 3.22 H new ATOM 0 HB3 PRO A 70 21.058 30.191 14.290 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.076 27.942 14.250 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.536 28.097 15.206 1.00 6.88 H new ATOM 0 HD2 PRO A 70 17.870 28.536 16.145 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.339 28.926 17.017 1.00 6.17 H new ATOM 1126 N ARG A 71 18.272 31.203 12.271 1.00 6.15 N ATOM 1127 CA ARG A 71 17.284 31.258 11.161 1.00 7.10 C ATOM 1128 C ARG A 71 17.980 30.599 9.968 1.00 4.23 C ATOM 1129 O ARG A 71 18.729 31.224 9.245 1.00 6.47 O ATOM 1130 CB ARG A 71 16.923 32.720 10.851 1.00 10.23 C ATOM 1131 CG ARG A 71 15.483 33.017 11.298 1.00 15.67 C ATOM 1132 CD ARG A 71 14.485 32.164 10.500 1.00 20.29 C ATOM 1133 NE ARG A 71 13.727 31.296 11.444 1.00 26.05 N ATOM 1134 CZ ARG A 71 12.655 30.671 11.046 1.00 19.78 C ATOM 1135 NH1 ARG A 71 12.243 30.793 9.814 1.00 22.60 N ATOM 1136 NH2 ARG A 71 11.995 29.920 11.884 1.00 23.53 N ATOM 0 H ARG A 71 19.245 31.249 11.967 1.00 6.15 H new ATOM 0 HA ARG A 71 16.352 30.749 11.408 1.00 7.10 H new ATOM 0 HB2 ARG A 71 17.615 33.389 11.362 1.00 10.23 H new ATOM 0 HB3 ARG A 71 17.026 32.909 9.783 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.377 32.811 12.363 1.00 15.67 H new ATOM 0 HG3 ARG A 71 15.262 34.075 11.155 1.00 15.67 H new ATOM 0 HD2 ARG A 71 13.800 32.806 9.946 1.00 20.29 H new ATOM 0 HD3 ARG A 71 15.013 31.553 9.768 1.00 20.29 H new ATOM 0 HE ARG A 71 14.049 31.190 12.406 1.00 26.05 H new ATOM 0 HH11 ARG A 71 12.760 31.379 9.159 1.00 22.60 H new ATOM 0 HH12 ARG A 71 11.404 30.302 9.506 1.00 22.60 H new ATOM 0 HH21 ARG A 71 12.319 29.824 12.847 1.00 23.53 H new ATOM 0 HH22 ARG A 71 11.155 29.429 11.577 1.00 23.53 H new ATOM 1150 N VAL A 72 17.798 29.317 9.812 1.00 4.55 N ATOM 1151 CA VAL A 72 18.510 28.581 8.730 1.00 6.53 C ATOM 1152 C VAL A 72 17.774 28.667 7.392 1.00 8.68 C ATOM 1153 O VAL A 72 16.586 28.914 7.329 1.00 6.48 O ATOM 1154 CB VAL A 72 18.625 27.119 9.149 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.308 26.326 8.037 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.446 27.016 10.442 1.00 3.35 C ATOM 0 H VAL A 72 17.183 28.745 10.391 1.00 4.55 H new ATOM 0 HA VAL A 72 19.491 29.034 8.590 1.00 6.53 H new ATOM 0 HB VAL A 72 17.630 26.711 9.325 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.391 25.281 8.334 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.718 26.398 7.124 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.303 26.733 7.858 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.527 25.970 10.739 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.443 27.423 10.273 1.00 3.35 H new ATOM 0 HG23 VAL A 72 18.952 27.581 11.233 1.00 3.35 H new ATOM 1166 N PHE A 73 18.496 28.462 6.315 1.00 5.39 N ATOM 1167 CA PHE A 73 17.876 28.526 4.961 1.00 6.90 C ATOM 1168 C PHE A 73 18.527 27.505 4.020 1.00 7.16 C ATOM 1169 O PHE A 73 19.441 27.838 3.293 1.00 14.07 O ATOM 1170 CB PHE A 73 18.103 29.914 4.362 1.00 6.44 C ATOM 1171 CG PHE A 73 17.159 30.915 4.974 1.00 9.57 C ATOM 1172 CD1 PHE A 73 15.906 31.141 4.394 1.00 12.42 C ATOM 1173 CD2 PHE A 73 17.546 31.635 6.108 1.00 3.78 C ATOM 1174 CE1 PHE A 73 15.038 32.085 4.951 1.00 11.45 C ATOM 1175 CE2 PHE A 73 16.680 32.583 6.663 1.00 6.98 C ATOM 1176 CZ PHE A 73 15.426 32.807 6.085 1.00 7.54 C ATOM 0 H PHE A 73 19.494 28.252 6.321 1.00 5.39 H new ATOM 0 HA PHE A 73 16.812 28.312 5.065 1.00 6.90 H new ATOM 0 HB2 PHE A 73 19.133 30.226 4.533 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.955 29.879 3.283 1.00 6.44 H new ATOM 0 HD1 PHE A 73 15.609 30.586 3.516 1.00 12.42 H new ATOM 0 HD2 PHE A 73 18.513 31.459 6.555 1.00 3.78 H new ATOM 0 HE1 PHE A 73 14.069 32.257 4.506 1.00 11.45 H new ATOM 0 HE2 PHE A 73 16.979 33.142 7.537 1.00 6.98 H new ATOM 0 HZ PHE A 73 14.757 33.538 6.514 1.00 7.54 H new ATOM 1186 N ILE A 74 18.051 26.290 3.968 1.00 5.91 N ATOM 1187 CA ILE A 74 18.659 25.337 2.998 1.00 7.08 C ATOM 1188 C ILE A 74 18.213 25.817 1.623 1.00 8.52 C ATOM 1189 O ILE A 74 17.045 25.768 1.294 1.00 6.64 O ATOM 1190 CB ILE A 74 18.156 23.907 3.246 1.00 6.37 C ATOM 1191 CG1 ILE A 74 18.878 23.311 4.456 1.00 6.27 C ATOM 1192 CG2 ILE A 74 18.449 23.036 2.020 1.00 4.80 C ATOM 1193 CD1 ILE A 74 18.761 24.265 5.641 1.00 9.34 C ATOM 0 H ILE A 74 17.289 25.924 4.538 1.00 5.91 H new ATOM 0 HA ILE A 74 19.745 25.312 3.093 1.00 7.08 H new ATOM 0 HB ILE A 74 17.082 23.936 3.431 1.00 6.37 H new ATOM 0 HG12 ILE A 74 18.445 22.344 4.711 1.00 6.27 H new ATOM 0 HG13 ILE A 74 19.927 23.138 4.217 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.091 22.022 2.200 1.00 4.80 H new ATOM 0 HG22 ILE A 74 17.942 23.451 1.149 1.00 4.80 H new ATOM 0 HG23 ILE A 74 19.523 23.014 1.838 1.00 4.80 H new ATOM 0 HD11 ILE A 74 19.276 23.840 6.503 1.00 9.34 H new ATOM 0 HD12 ILE A 74 19.214 25.222 5.384 1.00 9.34 H new ATOM 0 HD13 ILE A 74 17.709 24.416 5.884 1.00 9.34 H new ATOM 1205 N GLY A 75 19.107 26.347 0.840 1.00 9.27 N ATOM 1206 CA GLY A 75 18.672 26.893 -0.469 1.00 9.68 C ATOM 1207 C GLY A 75 17.786 28.096 -0.151 1.00 12.42 C ATOM 1208 O GLY A 75 17.906 28.686 0.905 1.00 11.15 O ATOM 0 H GLY A 75 20.103 26.425 1.045 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.530 27.189 -1.073 1.00 9.68 H new ATOM 0 HA3 GLY A 75 18.123 26.145 -1.041 1.00 9.68 H new ATOM 1212 N LYS A 76 16.886 28.467 -1.012 1.00 14.40 N ATOM 1213 CA LYS A 76 16.009 29.625 -0.679 1.00 16.68 C ATOM 1214 C LYS A 76 14.829 29.129 0.163 1.00 16.27 C ATOM 1215 O LYS A 76 13.968 29.891 0.555 1.00 14.00 O ATOM 1216 CB LYS A 76 15.497 30.275 -1.965 1.00 23.46 C ATOM 1217 CG LYS A 76 16.686 30.849 -2.748 1.00 30.10 C ATOM 1218 CD LYS A 76 16.218 31.975 -3.679 1.00 38.66 C ATOM 1219 CE LYS A 76 15.532 31.382 -4.916 1.00 42.17 C ATOM 1220 NZ LYS A 76 14.385 32.249 -5.306 1.00 44.86 N ATOM 0 H LYS A 76 16.718 28.029 -1.918 1.00 14.40 H new ATOM 0 HA LYS A 76 16.575 30.366 -0.115 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.967 29.541 -2.572 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.786 31.066 -1.729 1.00 23.46 H new ATOM 0 HG2 LYS A 76 17.437 31.229 -2.055 1.00 30.10 H new ATOM 0 HG3 LYS A 76 17.161 30.060 -3.331 1.00 30.10 H new ATOM 0 HD2 LYS A 76 15.528 32.632 -3.150 1.00 38.66 H new ATOM 0 HD3 LYS A 76 17.069 32.585 -3.982 1.00 38.66 H new ATOM 0 HE2 LYS A 76 16.243 31.307 -5.739 1.00 42.17 H new ATOM 0 HE3 LYS A 76 15.183 30.372 -4.703 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 13.917 31.850 -6.145 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 13.705 32.299 -4.521 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 14.731 33.205 -5.525 1.00 44.86 H new ATOM 1234 N ASP A 77 14.785 27.850 0.441 1.00 0.00 N ATOM 1235 CA ASP A 77 13.663 27.293 1.254 1.00 0.00 C ATOM 1236 C ASP A 77 14.007 27.361 2.746 1.00 0.00 C ATOM 1237 O ASP A 77 14.914 26.704 3.213 1.00 0.00 O ATOM 1238 CB ASP A 77 13.428 25.832 0.860 1.00 0.00 C ATOM 1239 CG ASP A 77 13.436 25.707 -0.664 1.00 0.00 C ATOM 1240 OD1 ASP A 77 14.508 25.524 -1.217 1.00 0.00 O ATOM 1241 OD2 ASP A 77 12.371 25.795 -1.251 1.00 0.00 O ATOM 0 H ASP A 77 15.480 27.167 0.139 1.00 0.00 H new ATOM 0 HA ASP A 77 12.764 27.880 1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.203 25.199 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.475 25.486 1.259 1.00 0.00 H new ATOM 1246 N SER A 78 13.279 28.141 3.500 1.00 0.00 N ATOM 1247 CA SER A 78 13.557 28.237 4.962 1.00 0.00 C ATOM 1248 C SER A 78 13.124 26.937 5.648 1.00 0.00 C ATOM 1249 O SER A 78 12.194 26.285 5.217 1.00 0.00 O ATOM 1250 CB SER A 78 12.772 29.408 5.554 1.00 0.00 C ATOM 1251 OG SER A 78 13.275 29.703 6.850 1.00 0.00 O ATOM 0 H SER A 78 12.505 28.715 3.167 1.00 0.00 H new ATOM 0 HA SER A 78 14.624 28.396 5.120 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.860 30.283 4.909 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.712 29.159 5.611 1.00 0.00 H new ATOM 0 HG SER A 78 13.908 30.449 6.793 1.00 0.00 H new ATOM 1257 N ILE A 79 13.783 26.556 6.715 1.00 14.84 N ATOM 1258 CA ILE A 79 13.394 25.299 7.426 1.00 16.24 C ATOM 1259 C ILE A 79 12.883 25.646 8.826 1.00 13.64 C ATOM 1260 O ILE A 79 12.136 24.897 9.424 1.00 15.36 O ATOM 1261 CB ILE A 79 14.602 24.363 7.545 1.00 18.04 C ATOM 1262 CG1 ILE A 79 15.785 25.099 8.202 1.00 18.59 C ATOM 1263 CG2 ILE A 79 15.006 23.877 6.151 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.542 24.141 9.131 1.00 20.45 C ATOM 0 H ILE A 79 14.571 27.059 7.123 1.00 14.84 H new ATOM 0 HA ILE A 79 12.610 24.798 6.858 1.00 16.24 H new ATOM 0 HB ILE A 79 14.332 23.510 8.167 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.457 25.483 7.435 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.422 25.958 8.767 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.865 23.211 6.233 1.00 15.93 H new ATOM 0 HG22 ILE A 79 14.173 23.341 5.697 1.00 15.93 H new ATOM 0 HG23 ILE A 79 15.268 24.733 5.529 1.00 15.93 H new ATOM 0 HD11 ILE A 79 17.378 24.667 9.593 1.00 20.45 H new ATOM 0 HD12 ILE A 79 15.868 23.778 9.907 1.00 20.45 H new ATOM 0 HD13 ILE A 79 16.919 23.297 8.554 1.00 20.45 H new ATOM 1276 N GLY A 80 13.273 26.778 9.351 1.00 12.42 N ATOM 1277 CA GLY A 80 12.798 27.173 10.711 1.00 13.73 C ATOM 1278 C GLY A 80 13.968 27.719 11.535 1.00 12.94 C ATOM 1279 O GLY A 80 14.832 28.404 11.025 1.00 13.82 O ATOM 0 H GLY A 80 13.898 27.445 8.899 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.017 27.929 10.627 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.357 26.313 11.215 1.00 13.73 H new ATOM 1283 N GLY A 81 13.994 27.424 12.811 1.00 12.24 N ATOM 1284 CA GLY A 81 15.099 27.924 13.684 1.00 10.24 C ATOM 1285 C GLY A 81 15.982 26.758 14.124 1.00 11.98 C ATOM 1286 O GLY A 81 16.220 25.828 13.380 1.00 12.42 O ATOM 0 H GLY A 81 13.294 26.856 13.287 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.695 28.660 13.145 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.685 28.428 14.557 1.00 10.24 H new ATOM 1290 N SER A 82 16.477 26.810 15.330 1.00 0.00 N ATOM 1291 CA SER A 82 17.356 25.716 15.828 1.00 0.00 C ATOM 1292 C SER A 82 16.528 24.456 16.068 1.00 0.00 C ATOM 1293 O SER A 82 16.751 23.427 15.462 1.00 0.00 O ATOM 1294 CB SER A 82 18.013 26.156 17.137 1.00 0.00 C ATOM 1295 OG SER A 82 18.226 25.021 17.966 1.00 0.00 O ATOM 0 H SER A 82 16.310 27.566 15.994 1.00 0.00 H new ATOM 0 HA SER A 82 18.125 25.501 15.086 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.961 26.652 16.931 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.379 26.880 17.649 1.00 0.00 H new ATOM 0 HG SER A 82 18.648 25.303 18.804 1.00 0.00 H new ATOM 1301 N SER A 83 15.574 24.530 16.947 1.00 0.00 N ATOM 1302 CA SER A 83 14.729 23.336 17.233 1.00 0.00 C ATOM 1303 C SER A 83 14.160 22.796 15.924 1.00 0.00 C ATOM 1304 O SER A 83 13.860 21.626 15.797 1.00 0.00 O ATOM 1305 CB SER A 83 13.585 23.730 18.169 1.00 0.00 C ATOM 1306 OG SER A 83 12.761 22.595 18.405 1.00 0.00 O ATOM 0 H SER A 83 15.340 25.366 17.483 1.00 0.00 H new ATOM 0 HA SER A 83 15.334 22.566 17.711 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.983 24.107 19.111 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.998 24.535 17.726 1.00 0.00 H new ATOM 0 HG SER A 83 12.027 22.843 19.006 1.00 0.00 H new ATOM 1312 N ASP A 84 14.017 23.641 14.946 1.00 12.98 N ATOM 1313 CA ASP A 84 13.477 23.183 13.637 1.00 14.53 C ATOM 1314 C ASP A 84 14.546 22.365 12.909 1.00 11.28 C ATOM 1315 O ASP A 84 14.291 21.285 12.416 1.00 12.09 O ATOM 1316 CB ASP A 84 13.096 24.398 12.792 1.00 17.72 C ATOM 1317 CG ASP A 84 11.976 25.172 13.489 1.00 19.35 C ATOM 1318 OD1 ASP A 84 12.197 25.622 14.601 1.00 21.94 O ATOM 1319 OD2 ASP A 84 10.916 25.301 12.899 1.00 27.06 O ATOM 0 H ASP A 84 14.251 24.633 14.995 1.00 12.98 H new ATOM 0 HA ASP A 84 12.594 22.565 13.799 1.00 14.53 H new ATOM 0 HB2 ASP A 84 13.964 25.042 12.650 1.00 17.72 H new ATOM 0 HB3 ASP A 84 12.770 24.078 11.802 1.00 17.72 H new ATOM 1324 N LEU A 85 15.744 22.877 12.841 1.00 11.34 N ATOM 1325 CA LEU A 85 16.840 22.140 12.149 1.00 11.04 C ATOM 1326 C LEU A 85 16.979 20.738 12.743 1.00 12.09 C ATOM 1327 O LEU A 85 16.840 19.744 12.059 1.00 11.43 O ATOM 1328 CB LEU A 85 18.160 22.893 12.340 1.00 9.45 C ATOM 1329 CG LEU A 85 19.186 22.422 11.295 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.447 23.286 11.387 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.558 20.955 11.551 1.00 15.31 C ATOM 0 H LEU A 85 16.012 23.778 13.237 1.00 11.34 H new ATOM 0 HA LEU A 85 16.604 22.065 11.088 1.00 11.04 H new ATOM 0 HB2 LEU A 85 17.994 23.966 12.242 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.545 22.720 13.345 1.00 9.45 H new ATOM 0 HG LEU A 85 18.748 22.516 10.301 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.173 22.951 10.646 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.189 24.328 11.197 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.878 23.195 12.384 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.285 20.629 10.807 1.00 15.31 H new ATOM 0 HD22 LEU A 85 19.990 20.858 12.547 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.664 20.335 11.481 1.00 15.31 H new ATOM 1343 N VAL A 86 17.277 20.655 14.009 1.00 0.00 N ATOM 1344 CA VAL A 86 17.457 19.319 14.645 1.00 0.00 C ATOM 1345 C VAL A 86 16.264 18.419 14.319 1.00 0.00 C ATOM 1346 O VAL A 86 16.431 17.295 13.896 1.00 0.00 O ATOM 1347 CB VAL A 86 17.593 19.473 16.171 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.070 19.392 16.566 1.00 0.00 C ATOM 1349 CG2 VAL A 86 17.028 20.825 16.617 1.00 0.00 C ATOM 0 H VAL A 86 17.404 21.453 14.631 1.00 0.00 H new ATOM 0 HA VAL A 86 18.366 18.863 14.252 1.00 0.00 H new ATOM 0 HB VAL A 86 17.036 18.672 16.656 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.164 19.501 17.646 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.476 18.427 16.262 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.623 20.190 16.071 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.129 20.923 17.698 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.577 21.629 16.127 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.974 20.887 16.344 1.00 0.00 H new ATOM 1359 N SER A 87 15.065 18.890 14.504 1.00 14.12 N ATOM 1360 CA SER A 87 13.887 18.030 14.196 1.00 14.37 C ATOM 1361 C SER A 87 14.052 17.424 12.797 1.00 13.29 C ATOM 1362 O SER A 87 13.750 16.271 12.570 1.00 11.18 O ATOM 1363 CB SER A 87 12.609 18.875 14.248 1.00 13.30 C ATOM 1364 OG SER A 87 11.593 18.147 14.925 1.00 21.79 O ATOM 0 H SER A 87 14.848 19.824 14.852 1.00 14.12 H new ATOM 0 HA SER A 87 13.817 17.228 14.931 1.00 14.37 H new ATOM 0 HB2 SER A 87 12.802 19.816 14.762 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.283 19.124 13.238 1.00 13.30 H new ATOM 0 HG SER A 87 10.775 18.685 14.962 1.00 21.79 H new ATOM 1370 N LEU A 88 14.517 18.198 11.857 1.00 0.00 N ATOM 1371 CA LEU A 88 14.692 17.674 10.471 1.00 0.00 C ATOM 1372 C LEU A 88 15.923 16.763 10.372 1.00 0.00 C ATOM 1373 O LEU A 88 15.927 15.795 9.637 1.00 0.00 O ATOM 1374 CB LEU A 88 14.857 18.850 9.511 1.00 0.00 C ATOM 1375 CG LEU A 88 13.635 19.764 9.603 1.00 0.00 C ATOM 1376 CD1 LEU A 88 13.916 21.058 8.840 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.414 19.067 8.992 1.00 0.00 C ATOM 0 H LEU A 88 14.785 19.174 11.988 1.00 0.00 H new ATOM 0 HA LEU A 88 13.811 17.088 10.209 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.760 19.408 9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 88 14.975 18.485 8.491 1.00 0.00 H new ATOM 0 HG LEU A 88 13.431 19.989 10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.047 21.713 8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.780 21.558 9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.121 20.827 7.795 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.547 19.724 9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.612 18.837 7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.213 18.143 9.535 1.00 0.00 H new ATOM 1389 N GLN A 89 16.976 17.078 11.073 1.00 0.00 N ATOM 1390 CA GLN A 89 18.210 16.243 10.976 1.00 0.00 C ATOM 1391 C GLN A 89 17.923 14.802 11.412 1.00 0.00 C ATOM 1392 O GLN A 89 18.067 13.874 10.641 1.00 0.00 O ATOM 1393 CB GLN A 89 19.298 16.840 11.875 1.00 0.00 C ATOM 1394 CG GLN A 89 20.679 16.367 11.408 1.00 0.00 C ATOM 1395 CD GLN A 89 20.725 14.838 11.388 1.00 0.00 C ATOM 1396 OE1 GLN A 89 20.616 14.202 12.418 1.00 0.00 O ATOM 1397 NE2 GLN A 89 20.886 14.217 10.251 1.00 0.00 N ATOM 0 H GLN A 89 17.038 17.874 11.707 1.00 0.00 H new ATOM 0 HA GLN A 89 18.546 16.233 9.939 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.248 17.928 11.847 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.132 16.540 12.910 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.890 16.759 10.413 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.450 16.754 12.074 1.00 0.00 H new ATOM 0 HE21 GLN A 89 20.977 14.751 9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 89 20.920 13.198 10.227 1.00 0.00 H new ATOM 1406 N GLN A 90 17.540 14.599 12.641 1.00 0.00 N ATOM 1407 CA GLN A 90 17.275 13.211 13.109 1.00 0.00 C ATOM 1408 C GLN A 90 16.146 12.592 12.291 1.00 0.00 C ATOM 1409 O GLN A 90 15.960 11.391 12.280 1.00 0.00 O ATOM 1410 CB GLN A 90 16.912 13.209 14.600 1.00 0.00 C ATOM 1411 CG GLN A 90 15.889 14.303 14.922 1.00 0.00 C ATOM 1412 CD GLN A 90 14.499 13.871 14.457 1.00 0.00 C ATOM 1413 OE1 GLN A 90 14.116 14.126 13.336 1.00 0.00 O ATOM 1414 NE2 GLN A 90 13.717 13.227 15.279 1.00 0.00 N ATOM 0 H GLN A 90 17.400 15.330 13.338 1.00 0.00 H new ATOM 0 HA GLN A 90 18.178 12.617 12.972 1.00 0.00 H new ATOM 0 HB2 GLN A 90 16.507 12.236 14.877 1.00 0.00 H new ATOM 0 HB3 GLN A 90 17.812 13.362 15.196 1.00 0.00 H new ATOM 0 HG2 GLN A 90 15.878 14.498 15.994 1.00 0.00 H new ATOM 0 HG3 GLN A 90 16.173 15.234 14.431 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.037 13.011 16.223 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.786 12.940 14.977 1.00 0.00 H new ATOM 1423 N SER A 91 15.394 13.398 11.601 1.00 0.00 N ATOM 1424 CA SER A 91 14.279 12.850 10.775 1.00 0.00 C ATOM 1425 C SER A 91 14.819 12.426 9.409 1.00 0.00 C ATOM 1426 O SER A 91 14.205 11.656 8.698 1.00 0.00 O ATOM 1427 CB SER A 91 13.201 13.919 10.588 1.00 0.00 C ATOM 1428 OG SER A 91 12.425 14.018 11.774 1.00 0.00 O ATOM 0 H SER A 91 15.500 14.412 11.571 1.00 0.00 H new ATOM 0 HA SER A 91 13.846 11.987 11.281 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.662 14.880 10.360 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.562 13.663 9.742 1.00 0.00 H new ATOM 0 HG SER A 91 13.017 14.168 12.541 1.00 0.00 H new ATOM 1434 N GLY A 92 15.968 12.919 9.042 1.00 19.34 N ATOM 1435 CA GLY A 92 16.558 12.544 7.725 1.00 19.37 C ATOM 1436 C GLY A 92 15.990 13.442 6.626 1.00 22.29 C ATOM 1437 O GLY A 92 16.501 13.486 5.524 1.00 25.64 O ATOM 0 H GLY A 92 16.526 13.567 9.598 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.643 12.641 7.762 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.339 11.500 7.503 1.00 19.37 H new ATOM 1441 N GLU A 93 14.942 14.161 6.912 1.00 22.54 N ATOM 1442 CA GLU A 93 14.356 15.054 5.881 1.00 24.53 C ATOM 1443 C GLU A 93 15.331 16.201 5.604 1.00 23.48 C ATOM 1444 O GLU A 93 15.349 16.773 4.533 1.00 22.85 O ATOM 1445 CB GLU A 93 13.032 15.620 6.393 1.00 27.50 C ATOM 1446 CG GLU A 93 12.274 16.259 5.232 1.00 36.43 C ATOM 1447 CD GLU A 93 11.621 15.167 4.380 1.00 44.30 C ATOM 1448 OE1 GLU A 93 10.684 14.550 4.858 1.00 42.86 O ATOM 1449 OE2 GLU A 93 12.071 14.967 3.263 1.00 50.26 O ATOM 0 H GLU A 93 14.468 14.168 7.815 1.00 22.54 H new ATOM 0 HA GLU A 93 14.177 14.494 4.963 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.433 14.827 6.841 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.216 16.359 7.173 1.00 27.50 H new ATOM 0 HG2 GLU A 93 11.513 16.941 5.613 1.00 36.43 H new ATOM 0 HG3 GLU A 93 12.956 16.851 4.622 1.00 36.43 H new ATOM 1456 N LEU A 94 16.143 16.540 6.567 1.00 24.17 N ATOM 1457 CA LEU A 94 17.124 17.645 6.369 1.00 22.19 C ATOM 1458 C LEU A 94 18.046 17.325 5.200 1.00 22.62 C ATOM 1459 O LEU A 94 18.071 18.017 4.203 1.00 21.76 O ATOM 1460 CB LEU A 94 17.976 17.793 7.622 1.00 23.15 C ATOM 1461 CG LEU A 94 18.844 19.054 7.518 1.00 23.80 C ATOM 1462 CD1 LEU A 94 17.959 20.310 7.517 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.810 19.099 8.709 1.00 21.18 C ATOM 0 H LEU A 94 16.170 16.098 7.486 1.00 24.17 H new ATOM 0 HA LEU A 94 16.577 18.566 6.166 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.336 17.853 8.502 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.609 16.915 7.748 1.00 23.15 H new ATOM 0 HG LEU A 94 19.409 19.026 6.587 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.587 21.198 7.443 1.00 18.74 H new ATOM 0 HD12 LEU A 94 17.278 20.275 6.666 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.383 20.350 8.441 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.430 19.993 8.641 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.241 19.122 9.638 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.446 18.214 8.695 1.00 21.18 H new ATOM 1475 N LEU A 95 18.820 16.285 5.330 1.00 0.00 N ATOM 1476 CA LEU A 95 19.767 15.924 4.243 1.00 0.00 C ATOM 1477 C LEU A 95 18.996 15.819 2.939 1.00 0.00 C ATOM 1478 O LEU A 95 19.503 16.109 1.874 1.00 0.00 O ATOM 1479 CB LEU A 95 20.446 14.589 4.590 1.00 0.00 C ATOM 1480 CG LEU A 95 19.658 13.390 4.031 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.120 13.076 2.599 1.00 0.00 C ATOM 1482 CD2 LEU A 95 19.907 12.167 4.919 1.00 0.00 C ATOM 0 H LEU A 95 18.837 15.670 6.143 1.00 0.00 H new ATOM 0 HA LEU A 95 20.539 16.686 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.459 14.580 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.533 14.495 5.672 1.00 0.00 H new ATOM 0 HG LEU A 95 18.596 13.634 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.557 12.227 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 95 19.949 13.944 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.183 12.834 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.352 11.314 4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 95 20.972 11.934 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.575 12.381 5.935 1.00 0.00 H new ATOM 1494 N THR A 96 17.766 15.426 3.023 1.00 15.75 N ATOM 1495 CA THR A 96 16.945 15.324 1.790 1.00 17.89 C ATOM 1496 C THR A 96 16.809 16.729 1.205 1.00 14.96 C ATOM 1497 O THR A 96 16.960 16.933 0.019 1.00 17.84 O ATOM 1498 CB THR A 96 15.565 14.739 2.125 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.620 13.323 2.024 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.507 15.274 1.154 1.00 28.03 C ATOM 0 H THR A 96 17.290 15.170 3.888 1.00 15.75 H new ATOM 0 HA THR A 96 17.419 14.662 1.065 1.00 17.89 H new ATOM 0 HB THR A 96 15.294 15.032 3.139 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.742 12.945 2.239 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.535 14.850 1.405 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.459 16.360 1.230 1.00 28.03 H new ATOM 0 HG23 THR A 96 14.773 14.993 0.135 1.00 28.03 H new ATOM 1508 N ARG A 97 16.548 17.702 2.039 1.00 12.39 N ATOM 1509 CA ARG A 97 16.421 19.101 1.542 1.00 13.82 C ATOM 1510 C ARG A 97 17.743 19.502 0.885 1.00 14.98 C ATOM 1511 O ARG A 97 17.775 20.212 -0.097 1.00 16.48 O ATOM 1512 CB ARG A 97 16.132 20.030 2.729 1.00 18.70 C ATOM 1513 CG ARG A 97 15.427 21.306 2.241 1.00 27.27 C ATOM 1514 CD ARG A 97 13.914 21.070 2.125 1.00 36.05 C ATOM 1515 NE ARG A 97 13.197 22.358 2.344 1.00 38.76 N ATOM 1516 CZ ARG A 97 11.941 22.467 2.010 1.00 40.02 C ATOM 1517 NH1 ARG A 97 11.321 21.457 1.466 1.00 39.86 N ATOM 1518 NH2 ARG A 97 11.306 23.589 2.215 1.00 40.96 N ATOM 0 H ARG A 97 16.417 17.586 3.044 1.00 12.39 H new ATOM 0 HA ARG A 97 15.609 19.177 0.819 1.00 13.82 H new ATOM 0 HB2 ARG A 97 15.507 19.516 3.459 1.00 18.70 H new ATOM 0 HB3 ARG A 97 17.063 20.290 3.233 1.00 18.70 H new ATOM 0 HG2 ARG A 97 15.622 22.125 2.934 1.00 27.27 H new ATOM 0 HG3 ARG A 97 15.830 21.605 1.273 1.00 27.27 H new ATOM 0 HD2 ARG A 97 13.671 20.668 1.141 1.00 36.05 H new ATOM 0 HD3 ARG A 97 13.592 20.332 2.859 1.00 36.05 H new ATOM 0 HE ARG A 97 13.688 23.153 2.754 1.00 38.76 H new ATOM 0 HH11 ARG A 97 11.818 20.582 1.302 1.00 39.86 H new ATOM 0 HH12 ARG A 97 10.339 21.542 1.205 1.00 39.86 H new ATOM 0 HH21 ARG A 97 11.792 24.381 2.636 1.00 40.96 H new ATOM 0 HH22 ARG A 97 10.324 23.674 1.954 1.00 40.96 H new ATOM 1532 N LEU A 98 18.834 19.037 1.423 1.00 12.44 N ATOM 1533 CA LEU A 98 20.162 19.358 0.844 1.00 12.45 C ATOM 1534 C LEU A 98 20.328 18.610 -0.486 1.00 14.25 C ATOM 1535 O LEU A 98 20.875 19.122 -1.442 1.00 12.19 O ATOM 1536 CB LEU A 98 21.242 18.891 1.825 1.00 13.23 C ATOM 1537 CG LEU A 98 21.454 19.931 2.931 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.241 19.964 3.863 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.690 19.548 3.742 1.00 15.05 C ATOM 0 H LEU A 98 18.860 18.441 2.250 1.00 12.44 H new ATOM 0 HA LEU A 98 20.249 20.430 0.670 1.00 12.45 H new ATOM 0 HB2 LEU A 98 20.952 17.937 2.266 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.178 18.724 1.291 1.00 13.23 H new ATOM 0 HG LEU A 98 21.586 20.914 2.478 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.403 20.706 4.645 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.350 20.227 3.292 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.104 18.983 4.317 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.849 20.282 4.532 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.543 18.564 4.186 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.561 19.524 3.088 1.00 15.05 H new ATOM 1551 N LYS A 99 19.882 17.384 -0.528 1.00 0.00 N ATOM 1552 CA LYS A 99 20.025 16.553 -1.760 1.00 0.00 C ATOM 1553 C LYS A 99 19.214 17.114 -2.939 1.00 0.00 C ATOM 1554 O LYS A 99 19.738 17.300 -4.019 1.00 0.00 O ATOM 1555 CB LYS A 99 19.544 15.134 -1.453 1.00 0.00 C ATOM 1556 CG LYS A 99 19.912 14.205 -2.611 1.00 0.00 C ATOM 1557 CD LYS A 99 19.430 12.788 -2.295 1.00 0.00 C ATOM 1558 CE LYS A 99 19.642 11.889 -3.515 1.00 0.00 C ATOM 1559 NZ LYS A 99 18.618 12.205 -4.551 1.00 0.00 N ATOM 0 H LYS A 99 19.418 16.915 0.250 1.00 0.00 H new ATOM 0 HA LYS A 99 21.076 16.560 -2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 99 19.999 14.777 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.465 15.130 -1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.456 14.559 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 99 20.991 14.208 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.975 12.390 -1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.375 12.804 -2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.643 12.039 -3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.569 10.841 -3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.582 11.436 -5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.687 12.306 -4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.870 13.094 -5.028 1.00 0.00 H new ATOM 1573 N GLN A 100 17.939 17.347 -2.766 1.00 18.17 N ATOM 1574 CA GLN A 100 17.121 17.846 -3.912 1.00 18.02 C ATOM 1575 C GLN A 100 17.832 19.008 -4.613 1.00 18.05 C ATOM 1576 O GLN A 100 17.694 19.188 -5.807 1.00 19.19 O ATOM 1577 CB GLN A 100 15.738 18.303 -3.422 1.00 20.45 C ATOM 1578 CG GLN A 100 15.831 18.799 -1.978 1.00 29.25 C ATOM 1579 CD GLN A 100 14.726 19.824 -1.711 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.804 20.949 -2.161 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.693 19.480 -0.991 1.00 38.64 N ATOM 0 H GLN A 100 17.433 17.215 -1.890 1.00 18.17 H new ATOM 0 HA GLN A 100 16.995 17.029 -4.623 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.360 19.098 -4.065 1.00 20.45 H new ATOM 0 HB3 GLN A 100 15.029 17.477 -3.486 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.736 17.960 -1.289 1.00 29.25 H new ATOM 0 HG3 GLN A 100 16.808 19.249 -1.800 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.627 18.535 -0.613 1.00 38.64 H new ATOM 0 HE22 GLN A 100 12.952 20.156 -0.807 1.00 38.64 H new ATOM 1590 N ILE A 101 18.588 19.798 -3.898 1.00 0.00 N ATOM 1591 CA ILE A 101 19.296 20.939 -4.553 1.00 0.00 C ATOM 1592 C ILE A 101 20.779 20.598 -4.718 1.00 0.00 C ATOM 1593 O ILE A 101 21.496 21.244 -5.456 1.00 0.00 O ATOM 1594 CB ILE A 101 19.140 22.196 -3.699 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.575 21.900 -2.265 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.674 22.634 -3.703 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.366 23.146 -1.402 1.00 0.00 C ATOM 0 H ILE A 101 18.746 19.705 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 101 18.862 21.120 -5.536 1.00 0.00 H new ATOM 0 HB ILE A 101 19.762 22.991 -4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 101 19.000 21.066 -1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 101 20.623 21.603 -2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.561 23.531 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.361 22.847 -4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 101 17.055 21.836 -3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 101 19.676 22.936 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 101 19.961 23.968 -1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.312 23.423 -1.412 1.00 0.00 H new ATOM 1609 N GLY A 102 21.240 19.577 -4.049 1.00 11.15 N ATOM 1610 CA GLY A 102 22.673 19.180 -4.180 1.00 12.21 C ATOM 1611 C GLY A 102 23.556 20.074 -3.310 1.00 14.73 C ATOM 1612 O GLY A 102 24.622 20.493 -3.717 1.00 18.54 O ATOM 0 H GLY A 102 20.687 18.999 -3.416 1.00 11.15 H new ATOM 0 HA2 GLY A 102 22.797 18.138 -3.885 1.00 12.21 H new ATOM 0 HA3 GLY A 102 22.984 19.255 -5.222 1.00 12.21 H new ATOM 1616 N ALA A 103 23.127 20.365 -2.117 1.00 10.84 N ATOM 1617 CA ALA A 103 23.948 21.229 -1.221 1.00 9.88 C ATOM 1618 C ALA A 103 24.974 20.369 -0.479 1.00 9.21 C ATOM 1619 O ALA A 103 25.892 20.871 0.139 1.00 7.47 O ATOM 1620 CB ALA A 103 23.037 21.922 -0.207 1.00 4.30 C ATOM 0 H ALA A 103 22.244 20.043 -1.721 1.00 10.84 H new ATOM 0 HA ALA A 103 24.467 21.979 -1.817 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.636 22.554 0.448 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.307 22.536 -0.734 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.518 21.171 0.388 1.00 4.30 H new ATOM 1626 N LEU A 104 24.819 19.075 -0.534 1.00 0.00 N ATOM 1627 CA LEU A 104 25.775 18.170 0.167 1.00 0.00 C ATOM 1628 C LEU A 104 26.841 17.671 -0.809 1.00 0.00 C ATOM 1629 O LEU A 104 26.895 18.077 -1.953 1.00 0.00 O ATOM 1630 CB LEU A 104 25.009 16.977 0.758 1.00 0.00 C ATOM 1631 CG LEU A 104 24.685 15.939 -0.329 1.00 0.00 C ATOM 1632 CD1 LEU A 104 23.813 14.834 0.268 1.00 0.00 C ATOM 1633 CD2 LEU A 104 23.927 16.604 -1.481 1.00 0.00 C ATOM 0 H LEU A 104 24.068 18.603 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 104 26.266 18.720 0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.603 16.512 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.085 17.326 1.220 1.00 0.00 H new ATOM 0 HG LEU A 104 25.617 15.517 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.582 14.097 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.348 14.350 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 104 22.886 15.266 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.702 15.861 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 104 22.997 17.031 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.541 17.394 -1.913 1.00 0.00 H new ATOM 1645 N GLN A 105 27.689 16.785 -0.361 1.00 0.00 N ATOM 1646 CA GLN A 105 28.753 16.247 -1.251 1.00 0.00 C ATOM 1647 C GLN A 105 28.152 15.191 -2.180 1.00 0.00 C ATOM 1648 O GLN A 105 27.480 15.573 -3.123 1.00 0.00 O ATOM 1649 CB GLN A 105 29.849 15.608 -0.397 1.00 0.00 C ATOM 1650 CG GLN A 105 30.582 16.693 0.391 1.00 0.00 C ATOM 1651 CD GLN A 105 31.765 16.074 1.136 1.00 0.00 C ATOM 1652 OE1 GLN A 105 31.604 15.117 1.868 1.00 0.00 O ATOM 1653 NE2 GLN A 105 32.956 16.582 0.979 1.00 0.00 N ATOM 1654 OXT GLN A 105 28.373 14.017 -1.931 1.00 0.00 O ATOM 0 H GLN A 105 27.689 16.410 0.588 1.00 0.00 H new ATOM 0 HA GLN A 105 29.177 17.056 -1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.413 14.879 0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.551 15.069 -1.032 1.00 0.00 H new ATOM 0 HG2 GLN A 105 30.933 17.473 -0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 105 29.901 17.166 1.098 1.00 0.00 H new ATOM 0 HE21 GLN A 105 33.091 17.385 0.365 1.00 0.00 H new ATOM 0 HE22 GLN A 105 33.752 16.176 1.470 1.00 0.00 H new TER 1663 GLN A 105 HETATM 1664 N1 GSH A 106 14.589 27.641 19.894 1.00 0.00 N HETATM 1665 CA1 GSH A 106 14.339 28.702 18.876 1.00 0.00 C HETATM 1666 C1 GSH A 106 14.060 28.053 17.519 1.00 0.00 C HETATM 1667 O11 GSH A 106 14.610 26.994 17.267 1.00 0.00 O HETATM 1668 O12 GSH A 106 13.301 28.626 16.755 1.00 0.00 O HETATM 1669 CB1 GSH A 106 15.573 29.602 18.772 1.00 0.00 C HETATM 1670 CG1 GSH A 106 15.997 30.057 20.175 1.00 0.00 C HETATM 1671 CD1 GSH A 106 16.155 31.579 20.216 1.00 0.00 C HETATM 1672 OE1 GSH A 106 16.674 32.187 19.302 1.00 0.00 O HETATM 1673 N2 GSH A 106 15.762 32.190 21.297 1.00 0.00 N HETATM 1674 CA2 GSH A 106 16.013 33.650 21.465 1.00 0.00 C HETATM 1675 C2 GSH A 106 15.295 34.437 20.367 1.00 0.00 C HETATM 1676 O2 GSH A 106 15.565 34.261 19.196 1.00 0.00 O HETATM 1677 CB2 GSH A 106 17.521 33.920 21.386 1.00 0.00 C HETATM 1678 SG2 GSH A 106 18.432 32.391 21.710 1.00 0.00 S HETATM 1679 N3 GSH A 106 14.623 35.487 20.748 1.00 0.00 N HETATM 1680 CA3 GSH A 106 14.118 36.461 19.740 1.00 0.00 C HETATM 1681 C3 GSH A 106 13.759 37.773 20.438 1.00 0.00 C HETATM 1682 O31 GSH A 106 14.634 38.615 20.553 1.00 0.00 O HETATM 1683 O32 GSH A 106 12.667 37.850 20.978 1.00 0.00 O HETATM 0 HN12 GSH A 106 14.793 27.899 20.860 1.00 0.00 H new HETATM 0 HN11 GSH A 106 14.556 26.658 19.625 1.00 0.00 H new HETATM 0 HG13 GSH A 106 15.253 29.742 20.907 1.00 0.00 H new HETATM 0 HG12 GSH A 106 16.937 29.580 20.451 1.00 0.00 H new HETATM 0 HB23 GSH A 106 17.780 34.307 20.400 1.00 0.00 H new HETATM 0 HB22 GSH A 106 17.802 34.683 22.112 1.00 0.00 H new HETATM 0 HB13 GSH A 106 16.389 29.063 18.291 1.00 0.00 H new HETATM 0 HB12 GSH A 106 15.352 30.469 18.149 1.00 0.00 H new HETATM 0 HA32 GSH A 106 14.876 36.638 18.977 1.00 0.00 H new HETATM 0 HA31 GSH A 106 13.243 36.055 19.232 1.00 0.00 H new HETATM 0 HN3 GSH A 106 14.442 35.642 21.740 1.00 0.00 H new HETATM 0 HN2 GSH A 106 15.281 31.669 22.030 1.00 0.00 H new HETATM 0 HA2 GSH A 106 15.633 33.968 22.436 1.00 0.00 H new HETATM 0 HA1 GSH A 106 13.477 29.299 19.173 1.00 0.00 H new