USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 755 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 HIS : no HE2:sc= -0.692 K(o=-0.79,f=-5.3!) USER MOD Set 1.2: A 114 SER OG : rot -110:sc= -0.0948 USER MOD Set 2.1: A 47 THR OG1 : rot -111:sc= -0.664 USER MOD Set 2.2: A 83 SER OG : rot -67:sc= 0.43 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 28 GLN : amide:sc= -0.188 K(o=-0.19,f=-2.2!) USER MOD Single : A 37 LYS NZ :NH3+ -118:sc= 0.0678 (180deg=0) USER MOD Single : A 38 SER OG : rot -72:sc= 0.226 USER MOD Single : A 39 LYS NZ :NH3+ -102:sc= -0.0528 (180deg=-1.45!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.709 USER MOD Single : A 48 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.073) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.83 K(o=-1.8,f=-3.8!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.129 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.012) USER MOD Single : A 61 HIS : no HD1:sc= -0.0037 K(o=-0.0037,f=-0.55) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 15:sc= 0.353 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -31:sc= 1.54 USER MOD Single : A 76 HIS : no HD1:sc= -1.25 X(o=-1.2,f=-1.7) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 11:sc= 0.952 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 92:sc= 1.31 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -85:sc= -1.49 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 123 GLN : amide:sc= -0.0799 K(o=-0.08,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 24 -2.908 -13.055 25.281 1.00 34.14 N ATOM 2 CA MET A 24 -3.391 -11.925 26.067 1.00 24.03 C ATOM 3 C MET A 24 -4.606 -11.283 25.405 1.00 32.05 C ATOM 4 O MET A 24 -5.693 -11.251 25.981 1.00 32.34 O ATOM 5 CB MET A 24 -2.281 -10.887 26.241 1.00 3.42 C ATOM 6 CG MET A 24 -2.639 -9.772 27.210 1.00 11.33 C ATOM 7 SD MET A 24 -2.366 -10.233 28.931 1.00 4.22 S ATOM 8 CE MET A 24 -3.184 -8.883 29.777 1.00 13.33 C ATOM 0 HA MET A 24 -3.688 -12.296 27.048 1.00 24.03 H new ATOM 0 HB2 MET A 24 -1.379 -11.387 26.593 1.00 3.42 H new ATOM 0 HB3 MET A 24 -2.046 -10.452 25.270 1.00 3.42 H new ATOM 0 HG2 MET A 24 -2.045 -8.888 26.976 1.00 11.33 H new ATOM 0 HG3 MET A 24 -3.685 -9.499 27.073 1.00 11.33 H new ATOM 0 HE1 MET A 24 -3.101 -9.025 30.854 1.00 13.33 H new ATOM 0 HE2 MET A 24 -2.713 -7.940 29.498 1.00 13.33 H new ATOM 0 HE3 MET A 24 -4.236 -8.860 29.494 1.00 13.33 H new ATOM 18 N ALA A 25 -4.413 -10.771 24.194 1.00 11.34 N ATOM 19 CA ALA A 25 -5.493 -10.131 23.456 1.00 52.54 C ATOM 20 C ALA A 25 -6.057 -8.941 24.226 1.00 71.11 C ATOM 21 O ALA A 25 -7.245 -8.903 24.544 1.00 21.13 O ATOM 22 CB ALA A 25 -6.595 -11.136 23.153 1.00 21.14 C ATOM 0 H ALA A 25 -3.519 -10.787 23.704 1.00 11.34 H new ATOM 0 HA ALA A 25 -5.085 -9.761 22.515 1.00 52.54 H new ATOM 0 HB1 ALA A 25 -7.395 -10.643 22.601 1.00 21.14 H new ATOM 0 HB2 ALA A 25 -6.189 -11.951 22.554 1.00 21.14 H new ATOM 0 HB3 ALA A 25 -6.991 -11.535 24.087 1.00 21.14 H new ATOM 28 N GLU A 26 -5.196 -7.973 24.523 1.00 41.13 N ATOM 29 CA GLU A 26 -5.609 -6.783 25.259 1.00 65.14 C ATOM 30 C GLU A 26 -4.664 -5.617 24.982 1.00 33.12 C ATOM 31 O GLU A 26 -3.445 -5.752 25.092 1.00 65.25 O ATOM 32 CB GLU A 26 -5.652 -7.074 26.760 1.00 14.11 C ATOM 33 CG GLU A 26 -7.039 -6.939 27.366 1.00 21.11 C ATOM 34 CD GLU A 26 -7.031 -7.078 28.876 1.00 33.33 C ATOM 35 OE1 GLU A 26 -6.225 -6.386 29.532 1.00 20.03 O ATOM 36 OE2 GLU A 26 -7.831 -7.880 29.401 1.00 14.24 O ATOM 0 H GLU A 26 -4.209 -7.989 24.266 1.00 41.13 H new ATOM 0 HA GLU A 26 -6.608 -6.507 24.922 1.00 65.14 H new ATOM 0 HB2 GLU A 26 -5.284 -8.085 26.936 1.00 14.11 H new ATOM 0 HB3 GLU A 26 -4.973 -6.394 27.273 1.00 14.11 H new ATOM 0 HG2 GLU A 26 -7.457 -5.969 27.096 1.00 21.11 H new ATOM 0 HG3 GLU A 26 -7.694 -7.698 26.938 1.00 21.11 H new ATOM 43 N HIS A 27 -5.236 -4.473 24.622 1.00 42.43 N ATOM 44 CA HIS A 27 -4.446 -3.282 24.329 1.00 64.44 C ATOM 45 C HIS A 27 -3.450 -3.553 23.204 1.00 75.33 C ATOM 46 O HIS A 27 -2.355 -4.062 23.442 1.00 53.03 O ATOM 47 CB HIS A 27 -3.701 -2.817 25.582 1.00 54.31 C ATOM 48 CG HIS A 27 -4.387 -1.697 26.303 1.00 63.53 C ATOM 49 ND1 HIS A 27 -4.578 -0.449 25.747 1.00 20.32 N ATOM 50 CD2 HIS A 27 -4.928 -1.643 27.543 1.00 44.32 C ATOM 51 CE1 HIS A 27 -5.205 0.325 26.614 1.00 34.23 C ATOM 52 NE2 HIS A 27 -5.430 -0.375 27.712 1.00 23.43 N ATOM 0 H HIS A 27 -6.243 -4.345 24.526 1.00 42.43 H new ATOM 0 HA HIS A 27 -5.128 -2.495 24.006 1.00 64.44 H new ATOM 0 HB2 HIS A 27 -3.588 -3.661 26.262 1.00 54.31 H new ATOM 0 HB3 HIS A 27 -2.698 -2.497 25.301 1.00 54.31 H new ATOM 0 HD2 HIS A 27 -4.959 -2.446 28.264 1.00 44.32 H new ATOM 0 HE1 HIS A 27 -5.486 1.355 26.453 1.00 34.23 H new ATOM 0 HE2 HIS A 27 -5.900 -0.030 28.549 1.00 23.43 H new ATOM 60 N GLN A 28 -3.841 -3.211 21.980 1.00 2.23 N ATOM 61 CA GLN A 28 -2.984 -3.420 20.820 1.00 41.13 C ATOM 62 C GLN A 28 -1.622 -2.765 21.024 1.00 22.31 C ATOM 63 O GLN A 28 -0.604 -3.449 21.143 1.00 1.32 O ATOM 64 CB GLN A 28 -3.648 -2.858 19.561 1.00 23.33 C ATOM 65 CG GLN A 28 -4.427 -3.897 18.770 1.00 62.01 C ATOM 66 CD GLN A 28 -5.530 -3.284 17.930 1.00 30.10 C ATOM 67 OE1 GLN A 28 -5.967 -2.162 18.183 1.00 13.12 O ATOM 68 NE2 GLN A 28 -5.986 -4.021 16.923 1.00 51.53 N ATOM 0 H GLN A 28 -4.745 -2.789 21.767 1.00 2.23 H new ATOM 0 HA GLN A 28 -2.837 -4.493 20.698 1.00 41.13 H new ATOM 0 HB2 GLN A 28 -4.322 -2.049 19.845 1.00 23.33 H new ATOM 0 HB3 GLN A 28 -2.882 -2.424 18.919 1.00 23.33 H new ATOM 0 HG2 GLN A 28 -3.742 -4.443 18.121 1.00 62.01 H new ATOM 0 HG3 GLN A 28 -4.860 -4.623 19.458 1.00 62.01 H new ATOM 0 HE21 GLN A 28 -5.594 -4.947 16.750 1.00 51.53 H new ATOM 0 HE22 GLN A 28 -6.728 -3.661 16.323 1.00 51.53 H new ATOM 77 N LEU A 29 -1.609 -1.437 21.064 1.00 25.43 N ATOM 78 CA LEU A 29 -0.370 -0.689 21.255 1.00 74.54 C ATOM 79 C LEU A 29 0.692 -1.132 20.253 1.00 12.14 C ATOM 80 O LEU A 29 1.516 -1.997 20.549 1.00 14.41 O ATOM 81 CB LEU A 29 0.147 -0.877 22.682 1.00 4.13 C ATOM 82 CG LEU A 29 -0.556 -0.056 23.764 1.00 23.12 C ATOM 83 CD1 LEU A 29 -0.332 -0.677 25.135 1.00 63.14 C ATOM 84 CD2 LEU A 29 -0.067 1.385 23.743 1.00 70.20 C ATOM 0 H LEU A 29 -2.442 -0.856 20.967 1.00 25.43 H new ATOM 0 HA LEU A 29 -0.582 0.367 21.089 1.00 74.54 H new ATOM 0 HB2 LEU A 29 0.062 -1.932 22.942 1.00 4.13 H new ATOM 0 HB3 LEU A 29 1.208 -0.629 22.698 1.00 4.13 H new ATOM 0 HG LEU A 29 -1.626 -0.058 23.557 1.00 23.12 H new ATOM 0 HD11 LEU A 29 -0.839 -0.079 25.892 1.00 63.14 H new ATOM 0 HD12 LEU A 29 -0.732 -1.691 25.145 1.00 63.14 H new ATOM 0 HD13 LEU A 29 0.736 -0.706 25.351 1.00 63.14 H new ATOM 0 HD21 LEU A 29 -0.578 1.954 24.520 1.00 70.20 H new ATOM 0 HD22 LEU A 29 1.008 1.407 23.925 1.00 70.20 H new ATOM 0 HD23 LEU A 29 -0.280 1.827 22.770 1.00 70.20 H new ATOM 96 N GLY A 30 0.669 -0.530 19.069 1.00 73.35 N ATOM 97 CA GLY A 30 1.636 -0.873 18.043 1.00 73.34 C ATOM 98 C GLY A 30 2.198 0.348 17.344 1.00 42.24 C ATOM 99 O GLY A 30 1.747 1.474 17.557 1.00 43.23 O ATOM 0 H GLY A 30 -0.002 0.190 18.801 1.00 73.35 H new ATOM 0 HA2 GLY A 30 2.452 -1.438 18.492 1.00 73.34 H new ATOM 0 HA3 GLY A 30 1.164 -1.524 17.307 1.00 73.34 H new ATOM 103 N PRO A 31 3.209 0.132 16.487 1.00 14.43 N ATOM 104 CA PRO A 31 3.855 1.213 15.739 1.00 1.33 C ATOM 105 C PRO A 31 2.944 1.804 14.668 1.00 60.53 C ATOM 106 O PRO A 31 1.755 1.490 14.610 1.00 31.05 O ATOM 107 CB PRO A 31 5.062 0.526 15.095 1.00 5.23 C ATOM 108 CG PRO A 31 4.672 -0.908 14.995 1.00 71.22 C ATOM 109 CD PRO A 31 3.796 -1.183 16.185 1.00 31.34 C ATOM 0 HA PRO A 31 4.118 2.053 16.382 1.00 1.33 H new ATOM 0 HB2 PRO A 31 5.280 0.947 14.113 1.00 5.23 H new ATOM 0 HB3 PRO A 31 5.959 0.651 15.701 1.00 5.23 H new ATOM 0 HG2 PRO A 31 4.139 -1.103 14.065 1.00 71.22 H new ATOM 0 HG3 PRO A 31 5.551 -1.553 15.000 1.00 71.22 H new ATOM 0 HD2 PRO A 31 3.029 -1.923 15.957 1.00 31.34 H new ATOM 0 HD3 PRO A 31 4.371 -1.569 17.027 1.00 31.34 H new ATOM 117 N ILE A 32 3.510 2.658 13.822 1.00 71.23 N ATOM 118 CA ILE A 32 2.748 3.289 12.751 1.00 14.24 C ATOM 119 C ILE A 32 1.685 4.227 13.313 1.00 71.51 C ATOM 120 O ILE A 32 1.131 3.983 14.385 1.00 50.53 O ATOM 121 CB ILE A 32 2.067 2.241 11.851 1.00 70.02 C ATOM 122 CG1 ILE A 32 3.039 1.102 11.532 1.00 1.33 C ATOM 123 CG2 ILE A 32 1.565 2.890 10.569 1.00 23.21 C ATOM 124 CD1 ILE A 32 2.616 -0.231 12.107 1.00 73.14 C ATOM 0 H ILE A 32 4.493 2.929 13.857 1.00 71.23 H new ATOM 0 HA ILE A 32 3.457 3.862 12.154 1.00 14.24 H new ATOM 0 HB ILE A 32 1.212 1.826 12.385 1.00 70.02 H new ATOM 0 HG12 ILE A 32 3.134 1.008 10.450 1.00 1.33 H new ATOM 0 HG13 ILE A 32 4.026 1.358 11.918 1.00 1.33 H new ATOM 0 HG21 ILE A 32 1.086 2.137 9.943 1.00 23.21 H new ATOM 0 HG22 ILE A 32 0.844 3.670 10.814 1.00 23.21 H new ATOM 0 HG23 ILE A 32 2.405 3.329 10.030 1.00 23.21 H new ATOM 0 HD11 ILE A 32 3.351 -0.991 11.842 1.00 73.14 H new ATOM 0 HD12 ILE A 32 2.549 -0.154 13.192 1.00 73.14 H new ATOM 0 HD13 ILE A 32 1.643 -0.510 11.702 1.00 73.14 H new ATOM 136 N ALA A 33 1.403 5.299 12.580 1.00 11.35 N ATOM 137 CA ALA A 33 0.404 6.273 13.003 1.00 22.02 C ATOM 138 C ALA A 33 -0.248 6.948 11.802 1.00 22.40 C ATOM 139 O ALA A 33 -1.371 6.615 11.424 1.00 70.21 O ATOM 140 CB ALA A 33 1.033 7.313 13.918 1.00 23.24 C ATOM 0 H ALA A 33 1.852 5.515 11.690 1.00 11.35 H new ATOM 0 HA ALA A 33 -0.372 5.743 13.555 1.00 22.02 H new ATOM 0 HB1 ALA A 33 0.275 8.033 14.225 1.00 23.24 H new ATOM 0 HB2 ALA A 33 1.445 6.821 14.799 1.00 23.24 H new ATOM 0 HB3 ALA A 33 1.831 7.831 13.386 1.00 23.24 H new ATOM 146 N GLY A 34 0.463 7.899 11.205 1.00 41.20 N ATOM 147 CA GLY A 34 -0.063 8.606 10.052 1.00 14.10 C ATOM 148 C GLY A 34 -0.323 7.686 8.876 1.00 43.03 C ATOM 149 O GLY A 34 -1.256 7.903 8.104 1.00 71.30 O ATOM 0 H GLY A 34 1.394 8.193 11.499 1.00 41.20 H new ATOM 0 HA2 GLY A 34 -0.990 9.107 10.329 1.00 14.10 H new ATOM 0 HA3 GLY A 34 0.642 9.382 9.753 1.00 14.10 H new ATOM 153 N ALA A 35 0.506 6.658 8.738 1.00 64.53 N ATOM 154 CA ALA A 35 0.362 5.701 7.647 1.00 25.14 C ATOM 155 C ALA A 35 -0.964 4.954 7.744 1.00 4.33 C ATOM 156 O ALA A 35 -1.628 4.718 6.735 1.00 54.10 O ATOM 157 CB ALA A 35 1.525 4.719 7.649 1.00 41.21 C ATOM 0 H ALA A 35 1.285 6.466 9.368 1.00 64.53 H new ATOM 0 HA ALA A 35 0.370 6.254 6.708 1.00 25.14 H new ATOM 0 HB1 ALA A 35 1.404 4.011 6.829 1.00 41.21 H new ATOM 0 HB2 ALA A 35 2.461 5.263 7.523 1.00 41.21 H new ATOM 0 HB3 ALA A 35 1.544 4.179 8.596 1.00 41.21 H new ATOM 163 N ILE A 36 -1.341 4.583 8.963 1.00 14.50 N ATOM 164 CA ILE A 36 -2.588 3.863 9.190 1.00 50.01 C ATOM 165 C ILE A 36 -3.764 4.582 8.537 1.00 72.23 C ATOM 166 O ILE A 36 -4.759 3.959 8.169 1.00 73.53 O ATOM 167 CB ILE A 36 -2.874 3.695 10.693 1.00 13.05 C ATOM 168 CG1 ILE A 36 -3.532 4.957 11.255 1.00 73.33 C ATOM 169 CG2 ILE A 36 -1.590 3.381 11.446 1.00 61.44 C ATOM 170 CD1 ILE A 36 -5.042 4.881 11.305 1.00 64.53 C ATOM 0 H ILE A 36 -0.801 4.769 9.808 1.00 14.50 H new ATOM 0 HA ILE A 36 -2.471 2.878 8.738 1.00 50.01 H new ATOM 0 HB ILE A 36 -3.562 2.860 10.824 1.00 13.05 H new ATOM 0 HG12 ILE A 36 -3.152 5.138 12.260 1.00 73.33 H new ATOM 0 HG13 ILE A 36 -3.239 5.812 10.645 1.00 73.33 H new ATOM 0 HG21 ILE A 36 -1.810 3.265 12.507 1.00 61.44 H new ATOM 0 HG22 ILE A 36 -1.160 2.456 11.062 1.00 61.44 H new ATOM 0 HG23 ILE A 36 -0.879 4.196 11.309 1.00 61.44 H new ATOM 0 HD11 ILE A 36 -5.440 5.810 11.714 1.00 64.53 H new ATOM 0 HD12 ILE A 36 -5.432 4.731 10.298 1.00 64.53 H new ATOM 0 HD13 ILE A 36 -5.344 4.047 11.939 1.00 64.53 H new ATOM 182 N LYS A 37 -3.642 5.897 8.396 1.00 45.13 N ATOM 183 CA LYS A 37 -4.693 6.702 7.784 1.00 31.15 C ATOM 184 C LYS A 37 -4.909 6.300 6.329 1.00 62.42 C ATOM 185 O LYS A 37 -6.045 6.142 5.881 1.00 11.52 O ATOM 186 CB LYS A 37 -4.338 8.188 7.866 1.00 11.14 C ATOM 187 CG LYS A 37 -5.494 9.066 8.316 1.00 62.11 C ATOM 188 CD LYS A 37 -6.593 9.119 7.270 1.00 13.51 C ATOM 189 CE LYS A 37 -6.752 10.520 6.699 1.00 73.31 C ATOM 190 NZ LYS A 37 -7.608 10.528 5.480 1.00 3.40 N ATOM 0 H LYS A 37 -2.825 6.429 8.697 1.00 45.13 H new ATOM 0 HA LYS A 37 -5.618 6.524 8.333 1.00 31.15 H new ATOM 0 HB2 LYS A 37 -3.505 8.316 8.557 1.00 11.14 H new ATOM 0 HB3 LYS A 37 -3.996 8.526 6.888 1.00 11.14 H new ATOM 0 HG2 LYS A 37 -5.900 8.683 9.252 1.00 62.11 H new ATOM 0 HG3 LYS A 37 -5.131 10.074 8.515 1.00 62.11 H new ATOM 0 HD2 LYS A 37 -6.364 8.421 6.465 1.00 13.51 H new ATOM 0 HD3 LYS A 37 -7.535 8.797 7.714 1.00 13.51 H new ATOM 0 HE2 LYS A 37 -7.190 11.173 7.454 1.00 73.31 H new ATOM 0 HE3 LYS A 37 -5.770 10.927 6.456 1.00 73.31 H new ATOM 0 HZ1 LYS A 37 -7.052 10.864 4.668 1.00 3.40 H new ATOM 0 HZ2 LYS A 37 -7.951 9.565 5.290 1.00 3.40 H new ATOM 0 HZ3 LYS A 37 -8.420 11.161 5.630 1.00 3.40 H new ATOM 204 N SER A 38 -3.813 6.134 5.596 1.00 44.10 N ATOM 205 CA SER A 38 -3.884 5.752 4.190 1.00 23.32 C ATOM 206 C SER A 38 -4.435 4.338 4.039 1.00 20.12 C ATOM 207 O SER A 38 -5.249 4.067 3.156 1.00 73.53 O ATOM 208 CB SER A 38 -2.499 5.843 3.546 1.00 53.34 C ATOM 209 OG SER A 38 -2.308 7.104 2.926 1.00 22.40 O ATOM 0 H SER A 38 -2.865 6.258 5.952 1.00 44.10 H new ATOM 0 HA SER A 38 -4.559 6.442 3.684 1.00 23.32 H new ATOM 0 HB2 SER A 38 -1.731 5.686 4.303 1.00 53.34 H new ATOM 0 HB3 SER A 38 -2.385 5.050 2.807 1.00 53.34 H new ATOM 0 HG SER A 38 -2.859 7.158 2.117 1.00 22.40 H new ATOM 215 N LYS A 39 -3.986 3.438 4.907 1.00 22.03 N ATOM 216 CA LYS A 39 -4.433 2.051 4.873 1.00 1.11 C ATOM 217 C LYS A 39 -5.939 1.959 5.101 1.00 24.03 C ATOM 218 O LYS A 39 -6.632 1.194 4.432 1.00 53.31 O ATOM 219 CB LYS A 39 -3.695 1.229 5.932 1.00 21.41 C ATOM 220 CG LYS A 39 -2.280 1.713 6.200 1.00 70.43 C ATOM 221 CD LYS A 39 -1.467 0.671 6.951 1.00 12.20 C ATOM 222 CE LYS A 39 -2.075 0.367 8.313 1.00 41.25 C ATOM 223 NZ LYS A 39 -2.283 -1.093 8.513 1.00 62.32 N ATOM 0 H LYS A 39 -3.312 3.645 5.644 1.00 22.03 H new ATOM 0 HA LYS A 39 -4.207 1.647 3.886 1.00 1.11 H new ATOM 0 HB2 LYS A 39 -4.262 1.257 6.862 1.00 21.41 H new ATOM 0 HB3 LYS A 39 -3.659 0.188 5.612 1.00 21.41 H new ATOM 0 HG2 LYS A 39 -1.789 1.947 5.255 1.00 70.43 H new ATOM 0 HG3 LYS A 39 -2.314 2.636 6.779 1.00 70.43 H new ATOM 0 HD2 LYS A 39 -1.414 -0.245 6.362 1.00 12.20 H new ATOM 0 HD3 LYS A 39 -0.445 1.028 7.079 1.00 12.20 H new ATOM 0 HE2 LYS A 39 -1.422 0.752 9.096 1.00 41.25 H new ATOM 0 HE3 LYS A 39 -3.028 0.886 8.409 1.00 41.25 H new ATOM 0 HZ1 LYS A 39 -3.287 -1.324 8.369 1.00 62.32 H new ATOM 0 HZ2 LYS A 39 -1.705 -1.623 7.830 1.00 62.32 H new ATOM 0 HZ3 LYS A 39 -2.003 -1.354 9.480 1.00 62.32 H new ATOM 237 N VAL A 40 -6.437 2.744 6.051 1.00 2.13 N ATOM 238 CA VAL A 40 -7.860 2.753 6.366 1.00 11.01 C ATOM 239 C VAL A 40 -8.695 3.073 5.131 1.00 20.43 C ATOM 240 O VAL A 40 -9.733 2.456 4.895 1.00 44.21 O ATOM 241 CB VAL A 40 -8.184 3.777 7.471 1.00 61.14 C ATOM 242 CG1 VAL A 40 -9.689 3.916 7.645 1.00 14.41 C ATOM 243 CG2 VAL A 40 -7.522 3.376 8.780 1.00 50.13 C ATOM 0 H VAL A 40 -5.876 3.382 6.616 1.00 2.13 H new ATOM 0 HA VAL A 40 -8.111 1.754 6.722 1.00 11.01 H new ATOM 0 HB VAL A 40 -7.786 4.747 7.172 1.00 61.14 H new ATOM 0 HG11 VAL A 40 -9.899 4.643 8.429 1.00 14.41 H new ATOM 0 HG12 VAL A 40 -10.134 4.253 6.709 1.00 14.41 H new ATOM 0 HG13 VAL A 40 -10.114 2.951 7.922 1.00 14.41 H new ATOM 0 HG21 VAL A 40 -7.762 4.110 9.549 1.00 50.13 H new ATOM 0 HG22 VAL A 40 -7.888 2.396 9.087 1.00 50.13 H new ATOM 0 HG23 VAL A 40 -6.441 3.333 8.643 1.00 50.13 H new ATOM 253 N GLU A 41 -8.233 4.041 4.346 1.00 51.23 N ATOM 254 CA GLU A 41 -8.937 4.443 3.135 1.00 70.23 C ATOM 255 C GLU A 41 -9.209 3.238 2.238 1.00 33.31 C ATOM 256 O GLU A 41 -10.258 3.150 1.600 1.00 70.40 O ATOM 257 CB GLU A 41 -8.125 5.488 2.368 1.00 42.53 C ATOM 258 CG GLU A 41 -7.655 6.647 3.232 1.00 71.22 C ATOM 259 CD GLU A 41 -8.690 7.067 4.258 1.00 51.12 C ATOM 260 OE1 GLU A 41 -9.886 7.126 3.903 1.00 22.13 O ATOM 261 OE2 GLU A 41 -8.305 7.338 5.414 1.00 25.22 O ATOM 0 H GLU A 41 -7.374 4.561 4.527 1.00 51.23 H new ATOM 0 HA GLU A 41 -9.891 4.879 3.430 1.00 70.23 H new ATOM 0 HB2 GLU A 41 -7.257 5.004 1.920 1.00 42.53 H new ATOM 0 HB3 GLU A 41 -8.731 5.878 1.550 1.00 42.53 H new ATOM 0 HG2 GLU A 41 -6.735 6.364 3.744 1.00 71.22 H new ATOM 0 HG3 GLU A 41 -7.416 7.497 2.594 1.00 71.22 H new ATOM 268 N ALA A 42 -8.257 2.313 2.196 1.00 22.42 N ATOM 269 CA ALA A 42 -8.393 1.112 1.381 1.00 64.11 C ATOM 270 C ALA A 42 -9.274 0.077 2.070 1.00 31.24 C ATOM 271 O ALA A 42 -9.844 -0.799 1.421 1.00 65.41 O ATOM 272 CB ALA A 42 -7.023 0.522 1.076 1.00 52.55 C ATOM 0 H ALA A 42 -7.382 2.372 2.717 1.00 22.42 H new ATOM 0 HA ALA A 42 -8.873 1.393 0.443 1.00 64.11 H new ATOM 0 HB1 ALA A 42 -7.140 -0.374 0.467 1.00 52.55 H new ATOM 0 HB2 ALA A 42 -6.424 1.254 0.534 1.00 52.55 H new ATOM 0 HB3 ALA A 42 -6.522 0.264 2.009 1.00 52.55 H new ATOM 278 N ALA A 43 -9.382 0.184 3.390 1.00 21.33 N ATOM 279 CA ALA A 43 -10.195 -0.743 4.168 1.00 14.12 C ATOM 280 C ALA A 43 -11.665 -0.654 3.767 1.00 23.05 C ATOM 281 O ALA A 43 -12.435 -1.590 3.981 1.00 32.54 O ATOM 282 CB ALA A 43 -10.035 -0.467 5.656 1.00 42.13 C ATOM 0 H ALA A 43 -8.917 0.904 3.943 1.00 21.33 H new ATOM 0 HA ALA A 43 -9.848 -1.755 3.958 1.00 14.12 H new ATOM 0 HB1 ALA A 43 -10.648 -1.167 6.224 1.00 42.13 H new ATOM 0 HB2 ALA A 43 -8.989 -0.589 5.938 1.00 42.13 H new ATOM 0 HB3 ALA A 43 -10.353 0.553 5.873 1.00 42.13 H new ATOM 288 N LEU A 44 -12.046 0.478 3.186 1.00 25.33 N ATOM 289 CA LEU A 44 -13.423 0.690 2.756 1.00 74.10 C ATOM 290 C LEU A 44 -13.848 -0.372 1.747 1.00 13.01 C ATOM 291 O LEU A 44 -15.039 -0.628 1.564 1.00 44.13 O ATOM 292 CB LEU A 44 -13.578 2.083 2.143 1.00 20.40 C ATOM 293 CG LEU A 44 -13.813 3.228 3.128 1.00 2.33 C ATOM 294 CD1 LEU A 44 -15.083 2.989 3.931 1.00 2.53 C ATOM 295 CD2 LEU A 44 -12.617 3.387 4.056 1.00 62.22 C ATOM 0 H LEU A 44 -11.421 1.263 3.002 1.00 25.33 H new ATOM 0 HA LEU A 44 -14.067 0.611 3.632 1.00 74.10 H new ATOM 0 HB2 LEU A 44 -12.681 2.306 1.566 1.00 20.40 H new ATOM 0 HB3 LEU A 44 -14.411 2.058 1.441 1.00 20.40 H new ATOM 0 HG LEU A 44 -13.934 4.151 2.560 1.00 2.33 H new ATOM 0 HD11 LEU A 44 -15.234 3.814 4.627 1.00 2.53 H new ATOM 0 HD12 LEU A 44 -15.935 2.925 3.254 1.00 2.53 H new ATOM 0 HD13 LEU A 44 -14.991 2.057 4.488 1.00 2.53 H new ATOM 0 HD21 LEU A 44 -12.802 4.207 4.750 1.00 62.22 H new ATOM 0 HD22 LEU A 44 -12.466 2.464 4.616 1.00 62.22 H new ATOM 0 HD23 LEU A 44 -11.726 3.604 3.467 1.00 62.22 H new ATOM 307 N SER A 45 -12.867 -0.988 1.096 1.00 73.21 N ATOM 308 CA SER A 45 -13.140 -2.023 0.103 1.00 14.44 C ATOM 309 C SER A 45 -12.748 -3.399 0.632 1.00 21.35 C ATOM 310 O SER A 45 -11.959 -3.531 1.568 1.00 11.02 O ATOM 311 CB SER A 45 -12.384 -1.727 -1.193 1.00 25.25 C ATOM 312 OG SER A 45 -11.758 -2.895 -1.695 1.00 5.12 O ATOM 0 H SER A 45 -11.877 -0.789 1.237 1.00 73.21 H new ATOM 0 HA SER A 45 -14.211 -2.023 -0.102 1.00 14.44 H new ATOM 0 HB2 SER A 45 -13.074 -1.331 -1.938 1.00 25.25 H new ATOM 0 HB3 SER A 45 -11.634 -0.957 -1.013 1.00 25.25 H new ATOM 0 HG SER A 45 -11.282 -2.680 -2.525 1.00 5.12 H new ATOM 318 N PRO A 46 -13.313 -4.449 0.020 1.00 64.42 N ATOM 319 CA PRO A 46 -13.038 -5.836 0.410 1.00 72.23 C ATOM 320 C PRO A 46 -11.619 -6.267 0.056 1.00 50.22 C ATOM 321 O PRO A 46 -11.404 -7.005 -0.907 1.00 22.14 O ATOM 322 CB PRO A 46 -14.059 -6.641 -0.398 1.00 23.20 C ATOM 323 CG PRO A 46 -14.364 -5.789 -1.581 1.00 3.31 C ATOM 324 CD PRO A 46 -14.263 -4.366 -1.103 1.00 63.03 C ATOM 0 HA PRO A 46 -13.118 -5.980 1.487 1.00 72.23 H new ATOM 0 HB2 PRO A 46 -13.652 -7.606 -0.700 1.00 23.20 H new ATOM 0 HB3 PRO A 46 -14.957 -6.842 0.187 1.00 23.20 H new ATOM 0 HG2 PRO A 46 -13.660 -5.980 -2.391 1.00 3.31 H new ATOM 0 HG3 PRO A 46 -15.361 -6.001 -1.968 1.00 3.31 H new ATOM 0 HD2 PRO A 46 -13.900 -3.703 -1.888 1.00 63.03 H new ATOM 0 HD3 PRO A 46 -15.231 -3.980 -0.783 1.00 63.03 H new ATOM 332 N THR A 47 -10.651 -5.803 0.840 1.00 22.55 N ATOM 333 CA THR A 47 -9.252 -6.141 0.610 1.00 43.24 C ATOM 334 C THR A 47 -8.469 -6.163 1.917 1.00 30.35 C ATOM 335 O THR A 47 -9.036 -5.986 2.995 1.00 20.41 O ATOM 336 CB THR A 47 -8.586 -5.143 -0.358 1.00 23.11 C ATOM 337 OG1 THR A 47 -7.305 -5.636 -0.764 1.00 3.01 O ATOM 338 CG2 THR A 47 -8.426 -3.779 0.297 1.00 13.15 C ATOM 0 H THR A 47 -10.811 -5.191 1.641 1.00 22.55 H new ATOM 0 HA THR A 47 -9.236 -7.136 0.164 1.00 43.24 H new ATOM 0 HB THR A 47 -9.227 -5.035 -1.233 1.00 23.11 H new ATOM 0 HG1 THR A 47 -6.601 -5.075 -0.377 1.00 3.01 H new ATOM 0 HG21 THR A 47 -7.954 -3.091 -0.405 1.00 13.15 H new ATOM 0 HG22 THR A 47 -9.406 -3.394 0.579 1.00 13.15 H new ATOM 0 HG23 THR A 47 -7.803 -3.873 1.187 1.00 13.15 H new ATOM 346 N HIS A 48 -7.162 -6.381 1.815 1.00 62.22 N ATOM 347 CA HIS A 48 -6.299 -6.426 2.991 1.00 41.45 C ATOM 348 C HIS A 48 -5.099 -5.501 2.819 1.00 43.11 C ATOM 349 O HIS A 48 -4.597 -5.317 1.710 1.00 43.24 O ATOM 350 CB HIS A 48 -5.824 -7.855 3.247 1.00 74.41 C ATOM 351 CG HIS A 48 -4.805 -7.961 4.339 1.00 35.44 C ATOM 352 ND1 HIS A 48 -3.557 -8.516 4.154 1.00 61.10 N ATOM 353 CD2 HIS A 48 -4.856 -7.578 5.637 1.00 31.34 C ATOM 354 CE1 HIS A 48 -2.884 -8.471 5.290 1.00 40.02 C ATOM 355 NE2 HIS A 48 -3.650 -7.906 6.205 1.00 5.31 N ATOM 0 H HIS A 48 -6.677 -6.529 0.930 1.00 62.22 H new ATOM 0 HA HIS A 48 -6.878 -6.085 3.849 1.00 41.45 H new ATOM 0 HB2 HIS A 48 -6.684 -8.475 3.502 1.00 74.41 H new ATOM 0 HB3 HIS A 48 -5.402 -8.259 2.327 1.00 74.41 H new ATOM 0 HD2 HIS A 48 -5.690 -7.103 6.133 1.00 31.34 H new ATOM 0 HE1 HIS A 48 -1.879 -8.834 5.444 1.00 40.02 H new ATOM 0 HE2 HIS A 48 -3.388 -7.740 7.177 1.00 5.31 H new ATOM 363 N PHE A 49 -4.642 -4.920 3.924 1.00 1.11 N ATOM 364 CA PHE A 49 -3.501 -4.012 3.895 1.00 71.15 C ATOM 365 C PHE A 49 -2.518 -4.340 5.015 1.00 45.43 C ATOM 366 O PHE A 49 -2.901 -4.460 6.179 1.00 42.42 O ATOM 367 CB PHE A 49 -3.972 -2.562 4.022 1.00 20.43 C ATOM 368 CG PHE A 49 -5.052 -2.371 5.048 1.00 14.51 C ATOM 369 CD1 PHE A 49 -6.386 -2.529 4.706 1.00 33.51 C ATOM 370 CD2 PHE A 49 -4.735 -2.032 6.354 1.00 70.10 C ATOM 371 CE1 PHE A 49 -7.383 -2.354 5.648 1.00 22.32 C ATOM 372 CE2 PHE A 49 -5.727 -1.857 7.300 1.00 53.04 C ATOM 373 CZ PHE A 49 -7.053 -2.017 6.945 1.00 3.54 C ATOM 0 H PHE A 49 -5.044 -5.062 4.850 1.00 1.11 H new ATOM 0 HA PHE A 49 -2.992 -4.138 2.939 1.00 71.15 H new ATOM 0 HB2 PHE A 49 -3.120 -1.933 4.281 1.00 20.43 H new ATOM 0 HB3 PHE A 49 -4.337 -2.221 3.053 1.00 20.43 H new ATOM 0 HD1 PHE A 49 -6.650 -2.792 3.692 1.00 33.51 H new ATOM 0 HD2 PHE A 49 -3.700 -1.903 6.636 1.00 70.10 H new ATOM 0 HE1 PHE A 49 -8.419 -2.481 5.369 1.00 22.32 H new ATOM 0 HE2 PHE A 49 -5.466 -1.596 8.315 1.00 53.04 H new ATOM 0 HZ PHE A 49 -7.830 -1.878 7.682 1.00 3.54 H new ATOM 383 N LYS A 50 -1.246 -4.484 4.654 1.00 33.40 N ATOM 384 CA LYS A 50 -0.206 -4.797 5.626 1.00 21.15 C ATOM 385 C LYS A 50 0.911 -3.759 5.581 1.00 12.24 C ATOM 386 O LYS A 50 1.608 -3.626 4.575 1.00 60.45 O ATOM 387 CB LYS A 50 0.367 -6.191 5.360 1.00 2.14 C ATOM 388 CG LYS A 50 1.510 -6.566 6.287 1.00 22.12 C ATOM 389 CD LYS A 50 2.693 -7.127 5.515 1.00 31.44 C ATOM 390 CE LYS A 50 3.446 -8.167 6.330 1.00 20.11 C ATOM 391 NZ LYS A 50 4.817 -8.403 5.797 1.00 22.34 N ATOM 0 H LYS A 50 -0.912 -4.389 3.695 1.00 33.40 H new ATOM 0 HA LYS A 50 -0.655 -4.779 6.619 1.00 21.15 H new ATOM 0 HB2 LYS A 50 -0.430 -6.928 5.463 1.00 2.14 H new ATOM 0 HB3 LYS A 50 0.716 -6.241 4.328 1.00 2.14 H new ATOM 0 HG2 LYS A 50 1.826 -5.688 6.851 1.00 22.12 H new ATOM 0 HG3 LYS A 50 1.165 -7.303 7.012 1.00 22.12 H new ATOM 0 HD2 LYS A 50 2.343 -7.575 4.585 1.00 31.44 H new ATOM 0 HD3 LYS A 50 3.369 -6.316 5.243 1.00 31.44 H new ATOM 0 HE2 LYS A 50 3.511 -7.838 7.367 1.00 20.11 H new ATOM 0 HE3 LYS A 50 2.889 -9.104 6.327 1.00 20.11 H new ATOM 0 HZ1 LYS A 50 5.298 -9.118 6.380 1.00 22.34 H new ATOM 0 HZ2 LYS A 50 4.754 -8.741 4.815 1.00 22.34 H new ATOM 0 HZ3 LYS A 50 5.357 -7.515 5.823 1.00 22.34 H new ATOM 405 N LEU A 51 1.076 -3.027 6.677 1.00 24.04 N ATOM 406 CA LEU A 51 2.111 -2.002 6.763 1.00 52.42 C ATOM 407 C LEU A 51 3.002 -2.226 7.980 1.00 32.54 C ATOM 408 O LEU A 51 2.512 -2.373 9.101 1.00 22.52 O ATOM 409 CB LEU A 51 1.475 -0.612 6.832 1.00 33.12 C ATOM 410 CG LEU A 51 2.409 0.568 6.562 1.00 22.20 C ATOM 411 CD1 LEU A 51 1.703 1.629 5.731 1.00 20.52 C ATOM 412 CD2 LEU A 51 2.911 1.160 7.871 1.00 54.32 C ATOM 0 H LEU A 51 0.507 -3.124 7.518 1.00 24.04 H new ATOM 0 HA LEU A 51 2.728 -2.069 5.867 1.00 52.42 H new ATOM 0 HB2 LEU A 51 0.656 -0.573 6.114 1.00 33.12 H new ATOM 0 HB3 LEU A 51 1.037 -0.484 7.822 1.00 33.12 H new ATOM 0 HG LEU A 51 3.268 0.205 5.997 1.00 22.20 H new ATOM 0 HD11 LEU A 51 2.383 2.461 5.549 1.00 20.52 H new ATOM 0 HD12 LEU A 51 1.393 1.199 4.779 1.00 20.52 H new ATOM 0 HD13 LEU A 51 0.826 1.989 6.269 1.00 20.52 H new ATOM 0 HD21 LEU A 51 3.574 1.999 7.660 1.00 54.32 H new ATOM 0 HD22 LEU A 51 2.063 1.507 8.462 1.00 54.32 H new ATOM 0 HD23 LEU A 51 3.455 0.399 8.430 1.00 54.32 H new ATOM 424 N ILE A 52 4.310 -2.251 7.754 1.00 43.13 N ATOM 425 CA ILE A 52 5.268 -2.455 8.833 1.00 44.11 C ATOM 426 C ILE A 52 6.308 -1.339 8.863 1.00 2.11 C ATOM 427 O ILE A 52 7.097 -1.187 7.932 1.00 11.02 O ATOM 428 CB ILE A 52 5.990 -3.809 8.696 1.00 11.53 C ATOM 429 CG1 ILE A 52 6.587 -3.956 7.296 1.00 55.44 C ATOM 430 CG2 ILE A 52 5.030 -4.952 8.992 1.00 24.10 C ATOM 431 CD1 ILE A 52 8.068 -4.263 7.299 1.00 52.13 C ATOM 0 H ILE A 52 4.731 -2.132 6.833 1.00 43.13 H new ATOM 0 HA ILE A 52 4.701 -2.446 9.764 1.00 44.11 H new ATOM 0 HB ILE A 52 6.803 -3.845 9.421 1.00 11.53 H new ATOM 0 HG12 ILE A 52 6.061 -4.751 6.767 1.00 55.44 H new ATOM 0 HG13 ILE A 52 6.416 -3.035 6.739 1.00 55.44 H new ATOM 0 HG21 ILE A 52 5.554 -5.903 8.891 1.00 24.10 H new ATOM 0 HG22 ILE A 52 4.649 -4.853 10.009 1.00 24.10 H new ATOM 0 HG23 ILE A 52 4.198 -4.920 8.288 1.00 24.10 H new ATOM 0 HD11 ILE A 52 8.423 -4.354 6.272 1.00 52.13 H new ATOM 0 HD12 ILE A 52 8.606 -3.457 7.799 1.00 52.13 H new ATOM 0 HD13 ILE A 52 8.244 -5.200 7.828 1.00 52.13 H new ATOM 443 N ASN A 53 6.302 -0.562 9.941 1.00 1.11 N ATOM 444 CA ASN A 53 7.245 0.540 10.094 1.00 3.31 C ATOM 445 C ASN A 53 8.273 0.229 11.177 1.00 5.34 C ATOM 446 O ASN A 53 7.919 -0.033 12.327 1.00 0.31 O ATOM 447 CB ASN A 53 6.501 1.832 10.437 1.00 21.20 C ATOM 448 CG ASN A 53 7.088 2.535 11.646 1.00 63.43 C ATOM 449 OD1 ASN A 53 6.709 2.259 12.784 1.00 73.11 O ATOM 450 ND2 ASN A 53 8.020 3.449 11.403 1.00 70.23 N ATOM 0 H ASN A 53 5.655 -0.675 10.721 1.00 1.11 H new ATOM 0 HA ASN A 53 7.769 0.671 9.147 1.00 3.31 H new ATOM 0 HB2 ASN A 53 6.531 2.504 9.579 1.00 21.20 H new ATOM 0 HB3 ASN A 53 5.452 1.604 10.626 1.00 21.20 H new ATOM 0 HD21 ASN A 53 8.452 3.955 12.176 1.00 70.23 H new ATOM 0 HD22 ASN A 53 8.304 3.646 10.443 1.00 70.23 H new ATOM 457 N ASP A 54 9.547 0.262 10.803 1.00 63.10 N ATOM 458 CA ASP A 54 10.628 -0.014 11.743 1.00 71.23 C ATOM 459 C ASP A 54 11.549 1.194 11.882 1.00 65.55 C ATOM 460 O ASP A 54 12.772 1.059 11.870 1.00 61.14 O ATOM 461 CB ASP A 54 11.430 -1.233 11.286 1.00 2.13 C ATOM 462 CG ASP A 54 11.703 -2.204 12.419 1.00 60.43 C ATOM 463 OD1 ASP A 54 12.500 -1.860 13.315 1.00 22.31 O ATOM 464 OD2 ASP A 54 11.119 -3.308 12.407 1.00 10.02 O ATOM 0 H ASP A 54 9.857 0.477 9.855 1.00 63.10 H new ATOM 0 HA ASP A 54 10.185 -0.224 12.717 1.00 71.23 H new ATOM 0 HB2 ASP A 54 10.885 -1.747 10.494 1.00 2.13 H new ATOM 0 HB3 ASP A 54 12.377 -0.902 10.859 1.00 2.13 H new ATOM 469 N SER A 55 10.953 2.375 12.012 1.00 72.23 N ATOM 470 CA SER A 55 11.719 3.608 12.148 1.00 25.01 C ATOM 471 C SER A 55 12.863 3.430 13.144 1.00 71.44 C ATOM 472 O SER A 55 12.825 2.543 13.997 1.00 13.23 O ATOM 473 CB SER A 55 10.810 4.752 12.598 1.00 44.40 C ATOM 474 OG SER A 55 11.569 5.844 13.088 1.00 53.12 O ATOM 0 H SER A 55 9.941 2.504 12.026 1.00 72.23 H new ATOM 0 HA SER A 55 12.142 3.852 11.174 1.00 25.01 H new ATOM 0 HB2 SER A 55 10.192 5.080 11.762 1.00 44.40 H new ATOM 0 HB3 SER A 55 10.132 4.398 13.375 1.00 44.40 H new ATOM 0 HG SER A 55 10.965 6.563 13.368 1.00 53.12 H new ATOM 480 N HIS A 56 13.878 4.279 13.027 1.00 42.10 N ATOM 481 CA HIS A 56 15.032 4.216 13.916 1.00 44.42 C ATOM 482 C HIS A 56 14.785 5.026 15.185 1.00 13.05 C ATOM 483 O HIS A 56 15.212 6.176 15.295 1.00 64.13 O ATOM 484 CB HIS A 56 16.281 4.735 13.202 1.00 65.42 C ATOM 485 CG HIS A 56 17.533 4.605 14.014 1.00 10.53 C ATOM 486 ND1 HIS A 56 18.119 3.391 14.306 1.00 13.32 N ATOM 487 CD2 HIS A 56 18.312 5.547 14.597 1.00 50.11 C ATOM 488 CE1 HIS A 56 19.203 3.592 15.034 1.00 11.12 C ATOM 489 NE2 HIS A 56 19.343 4.891 15.224 1.00 1.22 N ATOM 0 H HIS A 56 13.925 5.018 12.326 1.00 42.10 H new ATOM 0 HA HIS A 56 15.188 3.174 14.195 1.00 44.42 H new ATOM 0 HB2 HIS A 56 16.407 4.191 12.266 1.00 65.42 H new ATOM 0 HB3 HIS A 56 16.133 5.784 12.944 1.00 65.42 H new ATOM 0 HD2 HIS A 56 18.152 6.615 14.573 1.00 50.11 H new ATOM 0 HE1 HIS A 56 19.863 2.824 15.410 1.00 11.12 H new ATOM 0 HE2 HIS A 56 20.095 5.335 15.751 1.00 1.22 H new ATOM 497 N LYS A 57 14.091 4.420 16.142 1.00 20.02 N ATOM 498 CA LYS A 57 13.786 5.083 17.405 1.00 43.42 C ATOM 499 C LYS A 57 14.986 5.040 18.345 1.00 35.22 C ATOM 500 O LYS A 57 16.070 4.597 17.966 1.00 61.41 O ATOM 501 CB LYS A 57 12.577 4.423 18.072 1.00 50.32 C ATOM 502 CG LYS A 57 11.333 4.411 17.200 1.00 12.51 C ATOM 503 CD LYS A 57 10.155 5.068 17.901 1.00 44.20 C ATOM 504 CE LYS A 57 8.836 4.441 17.479 1.00 32.03 C ATOM 505 NZ LYS A 57 7.871 4.364 18.611 1.00 74.41 N ATOM 0 H LYS A 57 13.729 3.470 16.067 1.00 20.02 H new ATOM 0 HA LYS A 57 13.551 6.126 17.192 1.00 43.42 H new ATOM 0 HB2 LYS A 57 12.834 3.398 18.338 1.00 50.32 H new ATOM 0 HB3 LYS A 57 12.354 4.947 19.001 1.00 50.32 H new ATOM 0 HG2 LYS A 57 11.538 4.932 16.265 1.00 12.51 H new ATOM 0 HG3 LYS A 57 11.078 3.383 16.943 1.00 12.51 H new ATOM 0 HD2 LYS A 57 10.275 4.975 18.980 1.00 44.20 H new ATOM 0 HD3 LYS A 57 10.142 6.134 17.672 1.00 44.20 H new ATOM 0 HE2 LYS A 57 8.399 5.025 16.669 1.00 32.03 H new ATOM 0 HE3 LYS A 57 9.018 3.440 17.088 1.00 32.03 H new ATOM 0 HZ1 LYS A 57 6.984 3.931 18.283 1.00 74.41 H new ATOM 0 HZ2 LYS A 57 8.277 3.786 19.374 1.00 74.41 H new ATOM 0 HZ3 LYS A 57 7.677 5.322 18.968 1.00 74.41 H new ATOM 519 N HIS A 58 14.784 5.502 19.576 1.00 44.04 N ATOM 520 CA HIS A 58 15.849 5.514 20.572 1.00 44.22 C ATOM 521 C HIS A 58 15.715 4.331 21.525 1.00 23.32 C ATOM 522 O HIS A 58 14.606 3.931 21.881 1.00 3.55 O ATOM 523 CB HIS A 58 15.825 6.824 21.360 1.00 65.03 C ATOM 524 CG HIS A 58 16.879 7.799 20.932 1.00 52.33 C ATOM 525 ND1 HIS A 58 16.607 9.119 20.637 1.00 25.23 N ATOM 526 CD2 HIS A 58 18.211 7.642 20.752 1.00 62.31 C ATOM 527 CE1 HIS A 58 17.727 9.730 20.292 1.00 42.20 C ATOM 528 NE2 HIS A 58 18.715 8.856 20.354 1.00 31.12 N ATOM 0 H HIS A 58 13.893 5.873 19.907 1.00 44.04 H new ATOM 0 HA HIS A 58 16.802 5.431 20.049 1.00 44.22 H new ATOM 0 HB2 HIS A 58 14.845 7.288 21.248 1.00 65.03 H new ATOM 0 HB3 HIS A 58 15.954 6.604 22.420 1.00 65.03 H new ATOM 0 HD2 HIS A 58 18.773 6.731 20.895 1.00 62.31 H new ATOM 0 HE1 HIS A 58 17.819 10.768 20.008 1.00 42.20 H new ATOM 0 HE2 HIS A 58 19.693 9.051 20.141 1.00 31.12 H new ATOM 536 N ALA A 59 16.850 3.775 21.935 1.00 11.13 N ATOM 537 CA ALA A 59 16.859 2.638 22.848 1.00 52.34 C ATOM 538 C ALA A 59 17.213 3.075 24.265 1.00 1.32 C ATOM 539 O ALA A 59 16.347 3.160 25.135 1.00 41.35 O ATOM 540 CB ALA A 59 17.835 1.577 22.361 1.00 54.11 C ATOM 0 H ALA A 59 17.776 4.093 21.649 1.00 11.13 H new ATOM 0 HA ALA A 59 15.856 2.211 22.867 1.00 52.34 H new ATOM 0 HB1 ALA A 59 17.831 0.734 23.052 1.00 54.11 H new ATOM 0 HB2 ALA A 59 17.536 1.235 21.370 1.00 54.11 H new ATOM 0 HB3 ALA A 59 18.838 2.001 22.311 1.00 54.11 H new ATOM 546 N GLY A 60 18.494 3.352 24.491 1.00 3.43 N ATOM 547 CA GLY A 60 18.941 3.777 25.806 1.00 71.33 C ATOM 548 C GLY A 60 20.433 4.036 25.855 1.00 3.12 C ATOM 549 O GLY A 60 21.034 4.439 24.858 1.00 30.20 O ATOM 0 H GLY A 60 19.230 3.290 23.788 1.00 3.43 H new ATOM 0 HA2 GLY A 60 18.408 4.684 26.092 1.00 71.33 H new ATOM 0 HA3 GLY A 60 18.684 3.012 26.539 1.00 71.33 H new ATOM 553 N HIS A 61 21.034 3.807 27.018 1.00 62.30 N ATOM 554 CA HIS A 61 22.466 4.019 27.194 1.00 61.12 C ATOM 555 C HIS A 61 23.160 2.726 27.613 1.00 52.44 C ATOM 556 O HIS A 61 24.144 2.750 28.353 1.00 12.15 O ATOM 557 CB HIS A 61 22.717 5.108 28.238 1.00 32.01 C ATOM 558 CG HIS A 61 22.092 4.818 29.567 1.00 13.23 C ATOM 559 ND1 HIS A 61 20.750 5.003 29.824 1.00 10.15 N ATOM 560 CD2 HIS A 61 22.633 4.353 30.718 1.00 71.31 C ATOM 561 CE1 HIS A 61 20.493 4.666 31.076 1.00 60.11 C ATOM 562 NE2 HIS A 61 21.619 4.267 31.639 1.00 12.22 N ATOM 0 H HIS A 61 20.551 3.475 27.853 1.00 62.30 H new ATOM 0 HA HIS A 61 22.881 4.340 26.238 1.00 61.12 H new ATOM 0 HB2 HIS A 61 23.792 5.232 28.370 1.00 32.01 H new ATOM 0 HB3 HIS A 61 22.330 6.056 27.863 1.00 32.01 H new ATOM 0 HD2 HIS A 61 23.670 4.097 30.881 1.00 71.31 H new ATOM 0 HE1 HIS A 61 19.527 4.710 31.557 1.00 60.11 H new ATOM 0 HE2 HIS A 61 21.719 3.947 32.602 1.00 12.22 H new ATOM 570 N TYR A 62 22.641 1.601 27.136 1.00 53.20 N ATOM 571 CA TYR A 62 23.209 0.298 27.463 1.00 13.24 C ATOM 572 C TYR A 62 23.883 -0.324 26.245 1.00 64.04 C ATOM 573 O TYR A 62 24.802 -1.132 26.376 1.00 62.21 O ATOM 574 CB TYR A 62 22.120 -0.638 27.991 1.00 1.31 C ATOM 575 CG TYR A 62 22.594 -1.560 29.091 1.00 5.02 C ATOM 576 CD1 TYR A 62 22.832 -1.079 30.373 1.00 35.11 C ATOM 577 CD2 TYR A 62 22.807 -2.911 28.848 1.00 5.12 C ATOM 578 CE1 TYR A 62 23.267 -1.918 31.381 1.00 52.33 C ATOM 579 CE2 TYR A 62 23.240 -3.757 29.851 1.00 23.44 C ATOM 580 CZ TYR A 62 23.469 -3.256 31.115 1.00 54.21 C ATOM 581 OH TYR A 62 23.902 -4.096 32.116 1.00 5.42 O ATOM 0 H TYR A 62 21.828 1.564 26.521 1.00 53.20 H new ATOM 0 HA TYR A 62 23.962 0.442 28.238 1.00 13.24 H new ATOM 0 HB2 TYR A 62 21.288 -0.040 28.363 1.00 1.31 H new ATOM 0 HB3 TYR A 62 21.737 -1.238 27.166 1.00 1.31 H new ATOM 0 HD1 TYR A 62 22.674 -0.032 30.585 1.00 35.11 H new ATOM 0 HD2 TYR A 62 22.631 -3.307 27.859 1.00 5.12 H new ATOM 0 HE1 TYR A 62 23.448 -1.528 32.372 1.00 52.33 H new ATOM 0 HE2 TYR A 62 23.398 -4.805 29.646 1.00 23.44 H new ATOM 0 HH TYR A 62 23.993 -5.006 31.763 1.00 5.42 H new ATOM 591 N ALA A 63 23.420 0.059 25.060 1.00 51.33 N ATOM 592 CA ALA A 63 23.979 -0.458 23.817 1.00 42.41 C ATOM 593 C ALA A 63 23.778 -1.965 23.710 1.00 32.40 C ATOM 594 O ALA A 63 23.494 -2.636 24.703 1.00 5.14 O ATOM 595 CB ALA A 63 25.459 -0.113 23.721 1.00 72.24 C ATOM 0 H ALA A 63 22.659 0.726 24.934 1.00 51.33 H new ATOM 0 HA ALA A 63 23.452 0.012 22.987 1.00 42.41 H new ATOM 0 HB1 ALA A 63 25.864 -0.505 22.788 1.00 72.24 H new ATOM 0 HB2 ALA A 63 25.582 0.970 23.744 1.00 72.24 H new ATOM 0 HB3 ALA A 63 25.991 -0.557 24.562 1.00 72.24 H new ATOM 601 N ARG A 64 23.924 -2.493 22.498 1.00 12.14 N ATOM 602 CA ARG A 64 23.755 -3.921 22.262 1.00 3.01 C ATOM 603 C ARG A 64 24.972 -4.501 21.548 1.00 63.42 C ATOM 604 O ARG A 64 25.698 -5.325 22.105 1.00 75.42 O ATOM 605 CB ARG A 64 22.494 -4.177 21.434 1.00 23.34 C ATOM 606 CG ARG A 64 21.962 -5.596 21.559 1.00 11.54 C ATOM 607 CD ARG A 64 20.507 -5.684 21.126 1.00 43.41 C ATOM 608 NE ARG A 64 19.591 -5.587 22.259 1.00 50.30 N ATOM 609 CZ ARG A 64 18.284 -5.385 22.133 1.00 12.03 C ATOM 610 NH1 ARG A 64 17.742 -5.261 20.929 1.00 5.41 N ATOM 611 NH2 ARG A 64 17.516 -5.309 23.212 1.00 0.44 N ATOM 0 H ARG A 64 24.159 -1.953 21.665 1.00 12.14 H new ATOM 0 HA ARG A 64 23.653 -4.414 23.229 1.00 3.01 H new ATOM 0 HB2 ARG A 64 21.717 -3.478 21.744 1.00 23.34 H new ATOM 0 HB3 ARG A 64 22.709 -3.969 20.386 1.00 23.34 H new ATOM 0 HG2 ARG A 64 22.566 -6.268 20.949 1.00 11.54 H new ATOM 0 HG3 ARG A 64 22.057 -5.932 22.592 1.00 11.54 H new ATOM 0 HD2 ARG A 64 20.291 -4.885 20.416 1.00 43.41 H new ATOM 0 HD3 ARG A 64 20.340 -6.627 20.605 1.00 43.41 H new ATOM 0 HE ARG A 64 19.976 -5.679 23.199 1.00 50.30 H new ATOM 0 HH11 ARG A 64 18.329 -5.321 20.097 1.00 5.41 H new ATOM 0 HH12 ARG A 64 16.738 -5.106 20.835 1.00 5.41 H new ATOM 0 HH21 ARG A 64 17.929 -5.406 24.140 1.00 0.44 H new ATOM 0 HH22 ARG A 64 16.513 -5.154 23.114 1.00 0.44 H new ATOM 625 N ASP A 65 25.190 -4.066 20.311 1.00 10.32 N ATOM 626 CA ASP A 65 26.319 -4.540 19.520 1.00 71.30 C ATOM 627 C ASP A 65 26.762 -3.482 18.515 1.00 21.14 C ATOM 628 O ASP A 65 27.266 -3.805 17.441 1.00 42.33 O ATOM 629 CB ASP A 65 25.950 -5.832 18.790 1.00 23.44 C ATOM 630 CG ASP A 65 24.675 -5.697 17.982 1.00 15.04 C ATOM 631 OD1 ASP A 65 24.575 -4.740 17.186 1.00 11.30 O ATOM 632 OD2 ASP A 65 23.776 -6.549 18.145 1.00 51.41 O ATOM 0 H ASP A 65 24.599 -3.385 19.835 1.00 10.32 H new ATOM 0 HA ASP A 65 27.148 -4.739 20.199 1.00 71.30 H new ATOM 0 HB2 ASP A 65 26.767 -6.118 18.128 1.00 23.44 H new ATOM 0 HB3 ASP A 65 25.833 -6.636 19.517 1.00 23.44 H new ATOM 637 N GLY A 66 26.569 -2.216 18.873 1.00 60.45 N ATOM 638 CA GLY A 66 26.953 -1.129 17.991 1.00 45.14 C ATOM 639 C GLY A 66 26.097 -1.067 16.741 1.00 11.22 C ATOM 640 O GLY A 66 25.530 -2.073 16.318 1.00 32.23 O ATOM 0 H GLY A 66 26.154 -1.924 19.758 1.00 60.45 H new ATOM 0 HA2 GLY A 66 26.875 -0.184 18.529 1.00 45.14 H new ATOM 0 HA3 GLY A 66 27.998 -1.248 17.706 1.00 45.14 H new ATOM 644 N SER A 67 26.000 0.120 16.151 1.00 2.33 N ATOM 645 CA SER A 67 25.202 0.312 14.946 1.00 43.31 C ATOM 646 C SER A 67 25.455 1.690 14.340 1.00 62.53 C ATOM 647 O SER A 67 25.345 2.710 15.020 1.00 61.13 O ATOM 648 CB SER A 67 23.715 0.147 15.262 1.00 12.13 C ATOM 649 OG SER A 67 23.241 1.217 16.063 1.00 24.43 O ATOM 0 H SER A 67 26.464 0.963 16.488 1.00 2.33 H new ATOM 0 HA SER A 67 25.498 -0.445 14.220 1.00 43.31 H new ATOM 0 HB2 SER A 67 23.145 0.104 14.334 1.00 12.13 H new ATOM 0 HB3 SER A 67 23.553 -0.798 15.780 1.00 12.13 H new ATOM 0 HG SER A 67 23.890 1.951 16.046 1.00 24.43 H new ATOM 655 N THR A 68 25.796 1.710 13.055 1.00 14.50 N ATOM 656 CA THR A 68 26.067 2.961 12.356 1.00 34.43 C ATOM 657 C THR A 68 24.981 3.262 11.329 1.00 3.44 C ATOM 658 O THR A 68 24.737 4.419 10.992 1.00 44.45 O ATOM 659 CB THR A 68 27.433 2.923 11.646 1.00 4.34 C ATOM 660 OG1 THR A 68 27.718 4.201 11.066 1.00 33.43 O ATOM 661 CG2 THR A 68 27.453 1.854 10.565 1.00 31.45 C ATOM 0 H THR A 68 25.891 0.875 12.477 1.00 14.50 H new ATOM 0 HA THR A 68 26.080 3.749 13.109 1.00 34.43 H new ATOM 0 HB THR A 68 28.196 2.681 12.386 1.00 4.34 H new ATOM 0 HG1 THR A 68 28.589 4.170 10.618 1.00 33.43 H new ATOM 0 HG21 THR A 68 28.428 1.847 10.078 1.00 31.45 H new ATOM 0 HG22 THR A 68 27.265 0.879 11.014 1.00 31.45 H new ATOM 0 HG23 THR A 68 26.681 2.069 9.827 1.00 31.45 H new ATOM 669 N ALA A 69 24.332 2.212 10.836 1.00 50.44 N ATOM 670 CA ALA A 69 23.271 2.365 9.849 1.00 41.34 C ATOM 671 C ALA A 69 23.810 2.956 8.550 1.00 71.22 C ATOM 672 O ALA A 69 25.016 3.153 8.400 1.00 74.14 O ATOM 673 CB ALA A 69 22.155 3.238 10.404 1.00 21.04 C ATOM 0 H ALA A 69 24.523 1.247 11.104 1.00 50.44 H new ATOM 0 HA ALA A 69 22.869 1.376 9.629 1.00 41.34 H new ATOM 0 HB1 ALA A 69 21.369 3.344 9.656 1.00 21.04 H new ATOM 0 HB2 ALA A 69 21.743 2.775 11.300 1.00 21.04 H new ATOM 0 HB3 ALA A 69 22.553 4.222 10.654 1.00 21.04 H new ATOM 679 N SER A 70 22.908 3.237 7.614 1.00 0.15 N ATOM 680 CA SER A 70 23.295 3.801 6.326 1.00 72.34 C ATOM 681 C SER A 70 22.064 4.199 5.516 1.00 1.31 C ATOM 682 O SER A 70 22.035 5.258 4.891 1.00 42.53 O ATOM 683 CB SER A 70 24.135 2.796 5.536 1.00 22.33 C ATOM 684 OG SER A 70 23.856 2.875 4.149 1.00 1.25 O ATOM 0 H SER A 70 21.906 3.083 7.724 1.00 0.15 H new ATOM 0 HA SER A 70 23.891 4.694 6.513 1.00 72.34 H new ATOM 0 HB2 SER A 70 25.194 2.988 5.708 1.00 22.33 H new ATOM 0 HB3 SER A 70 23.932 1.787 5.894 1.00 22.33 H new ATOM 0 HG SER A 70 24.407 2.224 3.667 1.00 1.25 H new ATOM 690 N ASP A 71 21.050 3.342 5.534 1.00 31.40 N ATOM 691 CA ASP A 71 19.814 3.603 4.804 1.00 64.32 C ATOM 692 C ASP A 71 20.076 3.668 3.302 1.00 72.41 C ATOM 693 O ASP A 71 21.163 3.329 2.835 1.00 32.35 O ATOM 694 CB ASP A 71 19.182 4.911 5.280 1.00 33.45 C ATOM 695 CG ASP A 71 19.376 5.139 6.767 1.00 51.42 C ATOM 696 OD1 ASP A 71 19.218 4.173 7.541 1.00 3.25 O ATOM 697 OD2 ASP A 71 19.686 6.285 7.154 1.00 51.12 O ATOM 0 H ASP A 71 21.059 2.460 6.046 1.00 31.40 H new ATOM 0 HA ASP A 71 19.124 2.783 5.001 1.00 64.32 H new ATOM 0 HB2 ASP A 71 19.617 5.744 4.728 1.00 33.45 H new ATOM 0 HB3 ASP A 71 18.116 4.900 5.053 1.00 33.45 H new ATOM 702 N ALA A 72 19.071 4.104 2.550 1.00 74.32 N ATOM 703 CA ALA A 72 19.191 4.214 1.102 1.00 61.40 C ATOM 704 C ALA A 72 19.404 2.846 0.463 1.00 73.43 C ATOM 705 O ALA A 72 19.998 2.736 -0.609 1.00 22.14 O ATOM 706 CB ALA A 72 20.333 5.151 0.737 1.00 13.43 C ATOM 0 H ALA A 72 18.164 4.387 2.920 1.00 74.32 H new ATOM 0 HA ALA A 72 18.259 4.626 0.716 1.00 61.40 H new ATOM 0 HB1 ALA A 72 20.411 5.224 -0.348 1.00 13.43 H new ATOM 0 HB2 ALA A 72 20.140 6.139 1.154 1.00 13.43 H new ATOM 0 HB3 ALA A 72 21.267 4.762 1.143 1.00 13.43 H new ATOM 712 N GLY A 73 18.916 1.804 1.130 1.00 73.11 N ATOM 713 CA GLY A 73 19.064 0.456 0.612 1.00 73.11 C ATOM 714 C GLY A 73 18.475 -0.589 1.539 1.00 72.12 C ATOM 715 O GLY A 73 17.986 -1.624 1.085 1.00 13.43 O ATOM 0 H GLY A 73 18.421 1.869 2.019 1.00 73.11 H new ATOM 0 HA2 GLY A 73 18.578 0.389 -0.362 1.00 73.11 H new ATOM 0 HA3 GLY A 73 20.122 0.244 0.456 1.00 73.11 H new ATOM 719 N GLU A 74 18.523 -0.319 2.840 1.00 53.54 N ATOM 720 CA GLU A 74 17.991 -1.246 3.832 1.00 63.43 C ATOM 721 C GLU A 74 16.465 -1.226 3.833 1.00 5.33 C ATOM 722 O GLU A 74 15.819 -2.265 3.693 1.00 14.51 O ATOM 723 CB GLU A 74 18.519 -0.895 5.224 1.00 54.32 C ATOM 724 CG GLU A 74 17.847 -1.672 6.343 1.00 70.41 C ATOM 725 CD GLU A 74 18.838 -2.197 7.364 1.00 33.55 C ATOM 726 OE1 GLU A 74 19.129 -1.470 8.337 1.00 52.35 O ATOM 727 OE2 GLU A 74 19.322 -3.336 7.192 1.00 53.15 O ATOM 0 H GLU A 74 18.924 0.533 3.231 1.00 53.54 H new ATOM 0 HA GLU A 74 18.323 -2.250 3.568 1.00 63.43 H new ATOM 0 HB2 GLU A 74 19.592 -1.084 5.255 1.00 54.32 H new ATOM 0 HB3 GLU A 74 18.379 0.172 5.398 1.00 54.32 H new ATOM 0 HG2 GLU A 74 17.122 -1.029 6.843 1.00 70.41 H new ATOM 0 HG3 GLU A 74 17.292 -2.508 5.918 1.00 70.41 H new ATOM 734 N THR A 75 15.895 -0.036 3.993 1.00 50.32 N ATOM 735 CA THR A 75 14.447 0.122 4.014 1.00 74.42 C ATOM 736 C THR A 75 13.833 -0.604 5.207 1.00 52.23 C ATOM 737 O THR A 75 14.041 -1.803 5.391 1.00 22.20 O ATOM 738 CB THR A 75 13.804 -0.410 2.719 1.00 23.33 C ATOM 739 OG1 THR A 75 13.466 -1.793 2.871 1.00 2.03 O ATOM 740 CG2 THR A 75 14.748 -0.241 1.538 1.00 42.01 C ATOM 0 H THR A 75 16.415 0.833 4.110 1.00 50.32 H new ATOM 0 HA THR A 75 14.247 1.190 4.098 1.00 74.42 H new ATOM 0 HB THR A 75 12.898 0.165 2.527 1.00 23.33 H new ATOM 0 HG1 THR A 75 14.101 -2.220 3.484 1.00 2.03 H new ATOM 0 HG21 THR A 75 14.273 -0.624 0.635 1.00 42.01 H new ATOM 0 HG22 THR A 75 14.980 0.816 1.406 1.00 42.01 H new ATOM 0 HG23 THR A 75 15.668 -0.794 1.726 1.00 42.01 H new ATOM 748 N HIS A 76 13.074 0.131 6.014 1.00 22.52 N ATOM 749 CA HIS A 76 12.429 -0.444 7.188 1.00 2.14 C ATOM 750 C HIS A 76 10.914 -0.276 7.113 1.00 65.44 C ATOM 751 O HIS A 76 10.177 -0.821 7.935 1.00 62.31 O ATOM 752 CB HIS A 76 12.963 0.213 8.463 1.00 41.04 C ATOM 753 CG HIS A 76 14.212 -0.427 8.987 1.00 35.32 C ATOM 754 ND1 HIS A 76 14.836 -1.485 8.361 1.00 33.51 N ATOM 755 CD2 HIS A 76 14.952 -0.151 10.086 1.00 24.12 C ATOM 756 CE1 HIS A 76 15.906 -1.833 9.052 1.00 32.32 C ATOM 757 NE2 HIS A 76 16.000 -1.039 10.103 1.00 31.45 N ATOM 0 H HIS A 76 12.891 1.125 5.876 1.00 22.52 H new ATOM 0 HA HIS A 76 12.659 -1.509 7.212 1.00 2.14 H new ATOM 0 HB2 HIS A 76 13.160 1.266 8.264 1.00 41.04 H new ATOM 0 HB3 HIS A 76 12.193 0.172 9.233 1.00 41.04 H new ATOM 0 HD2 HIS A 76 14.755 0.623 10.814 1.00 24.12 H new ATOM 0 HE1 HIS A 76 16.588 -2.631 8.800 1.00 32.32 H new ATOM 0 HE2 HIS A 76 16.732 -1.079 10.812 1.00 31.45 H new ATOM 765 N PHE A 77 10.457 0.482 6.121 1.00 12.12 N ATOM 766 CA PHE A 77 9.030 0.723 5.940 1.00 64.34 C ATOM 767 C PHE A 77 8.527 0.070 4.654 1.00 5.03 C ATOM 768 O PHE A 77 9.166 0.166 3.606 1.00 4.23 O ATOM 769 CB PHE A 77 8.745 2.225 5.907 1.00 41.31 C ATOM 770 CG PHE A 77 7.281 2.559 5.950 1.00 64.43 C ATOM 771 CD1 PHE A 77 6.471 2.320 4.852 1.00 52.14 C ATOM 772 CD2 PHE A 77 6.715 3.111 7.088 1.00 64.42 C ATOM 773 CE1 PHE A 77 5.123 2.626 4.887 1.00 2.43 C ATOM 774 CE2 PHE A 77 5.369 3.419 7.129 1.00 12.04 C ATOM 775 CZ PHE A 77 4.572 3.176 6.028 1.00 14.55 C ATOM 0 H PHE A 77 11.053 0.939 5.431 1.00 12.12 H new ATOM 0 HA PHE A 77 8.502 0.279 6.784 1.00 64.34 H new ATOM 0 HB2 PHE A 77 9.243 2.700 6.753 1.00 41.31 H new ATOM 0 HB3 PHE A 77 9.180 2.649 5.002 1.00 41.31 H new ATOM 0 HD1 PHE A 77 6.897 1.890 3.958 1.00 52.14 H new ATOM 0 HD2 PHE A 77 7.333 3.303 7.953 1.00 64.42 H new ATOM 0 HE1 PHE A 77 4.502 2.435 4.024 1.00 2.43 H new ATOM 0 HE2 PHE A 77 4.940 3.850 8.022 1.00 12.04 H new ATOM 0 HZ PHE A 77 3.519 3.416 6.059 1.00 14.55 H new ATOM 785 N ARG A 78 7.380 -0.594 4.744 1.00 1.24 N ATOM 786 CA ARG A 78 6.793 -1.264 3.590 1.00 2.33 C ATOM 787 C ARG A 78 5.269 -1.261 3.678 1.00 2.12 C ATOM 788 O ARG A 78 4.698 -1.443 4.754 1.00 53.01 O ATOM 789 CB ARG A 78 7.306 -2.702 3.494 1.00 70.30 C ATOM 790 CG ARG A 78 6.303 -3.740 3.970 1.00 14.54 C ATOM 791 CD ARG A 78 6.970 -5.083 4.225 1.00 14.30 C ATOM 792 NE ARG A 78 7.158 -5.843 2.992 1.00 22.24 N ATOM 793 CZ ARG A 78 7.417 -7.146 2.965 1.00 64.13 C ATOM 794 NH1 ARG A 78 7.517 -7.829 4.096 1.00 14.24 N ATOM 795 NH2 ARG A 78 7.576 -7.767 1.803 1.00 15.11 N ATOM 0 H ARG A 78 6.839 -0.683 5.604 1.00 1.24 H new ATOM 0 HA ARG A 78 7.090 -0.719 2.694 1.00 2.33 H new ATOM 0 HB2 ARG A 78 7.573 -2.915 2.459 1.00 70.30 H new ATOM 0 HB3 ARG A 78 8.218 -2.793 4.084 1.00 70.30 H new ATOM 0 HG2 ARG A 78 5.823 -3.391 4.884 1.00 14.54 H new ATOM 0 HG3 ARG A 78 5.518 -3.858 3.223 1.00 14.54 H new ATOM 0 HD2 ARG A 78 7.936 -4.923 4.703 1.00 14.30 H new ATOM 0 HD3 ARG A 78 6.363 -5.663 4.920 1.00 14.30 H new ATOM 0 HE ARG A 78 7.087 -5.347 2.104 1.00 22.24 H new ATOM 0 HH11 ARG A 78 7.395 -7.355 4.991 1.00 14.24 H new ATOM 0 HH12 ARG A 78 7.716 -8.829 4.072 1.00 14.24 H new ATOM 0 HH21 ARG A 78 7.499 -7.244 0.931 1.00 15.11 H new ATOM 0 HH22 ARG A 78 7.775 -8.767 1.782 1.00 15.11 H new ATOM 809 N LEU A 79 4.617 -1.053 2.539 1.00 41.33 N ATOM 810 CA LEU A 79 3.160 -1.025 2.486 1.00 24.14 C ATOM 811 C LEU A 79 2.643 -1.840 1.305 1.00 2.11 C ATOM 812 O LEU A 79 2.931 -1.528 0.150 1.00 14.13 O ATOM 813 CB LEU A 79 2.661 0.417 2.383 1.00 73.21 C ATOM 814 CG LEU A 79 1.144 0.607 2.430 1.00 70.24 C ATOM 815 CD1 LEU A 79 0.528 0.316 1.069 1.00 1.43 C ATOM 816 CD2 LEU A 79 0.527 -0.284 3.498 1.00 0.23 C ATOM 0 H LEU A 79 5.075 -0.901 1.640 1.00 41.33 H new ATOM 0 HA LEU A 79 2.779 -1.469 3.405 1.00 24.14 H new ATOM 0 HB2 LEU A 79 3.105 0.993 3.195 1.00 73.21 H new ATOM 0 HB3 LEU A 79 3.032 0.843 1.451 1.00 73.21 H new ATOM 0 HG LEU A 79 0.935 1.645 2.687 1.00 70.24 H new ATOM 0 HD11 LEU A 79 -0.552 0.456 1.121 1.00 1.43 H new ATOM 0 HD12 LEU A 79 0.947 0.996 0.327 1.00 1.43 H new ATOM 0 HD13 LEU A 79 0.747 -0.713 0.783 1.00 1.43 H new ATOM 0 HD21 LEU A 79 -0.553 -0.135 3.517 1.00 0.23 H new ATOM 0 HD22 LEU A 79 0.746 -1.328 3.272 1.00 0.23 H new ATOM 0 HD23 LEU A 79 0.945 -0.028 4.471 1.00 0.23 H new ATOM 828 N GLU A 80 1.876 -2.884 1.603 1.00 75.43 N ATOM 829 CA GLU A 80 1.318 -3.743 0.564 1.00 11.54 C ATOM 830 C GLU A 80 -0.147 -4.060 0.851 1.00 34.04 C ATOM 831 O GLU A 80 -0.576 -4.082 2.005 1.00 2.04 O ATOM 832 CB GLU A 80 2.121 -5.041 0.459 1.00 54.42 C ATOM 833 CG GLU A 80 3.547 -4.836 -0.022 1.00 61.15 C ATOM 834 CD GLU A 80 4.285 -6.145 -0.231 1.00 43.32 C ATOM 835 OE1 GLU A 80 3.793 -6.985 -1.011 1.00 51.24 O ATOM 836 OE2 GLU A 80 5.356 -6.327 0.386 1.00 40.01 O ATOM 0 H GLU A 80 1.627 -3.156 2.554 1.00 75.43 H new ATOM 0 HA GLU A 80 1.378 -3.210 -0.385 1.00 11.54 H new ATOM 0 HB2 GLU A 80 2.142 -5.526 1.435 1.00 54.42 H new ATOM 0 HB3 GLU A 80 1.610 -5.720 -0.223 1.00 54.42 H new ATOM 0 HG2 GLU A 80 3.534 -4.277 -0.958 1.00 61.15 H new ATOM 0 HG3 GLU A 80 4.088 -4.230 0.704 1.00 61.15 H new ATOM 843 N VAL A 81 -0.912 -4.304 -0.209 1.00 24.31 N ATOM 844 CA VAL A 81 -2.328 -4.621 -0.073 1.00 52.20 C ATOM 845 C VAL A 81 -2.709 -5.817 -0.938 1.00 75.43 C ATOM 846 O VAL A 81 -2.242 -5.955 -2.069 1.00 21.24 O ATOM 847 CB VAL A 81 -3.212 -3.420 -0.460 1.00 3.44 C ATOM 848 CG1 VAL A 81 -2.592 -2.121 0.033 1.00 60.14 C ATOM 849 CG2 VAL A 81 -3.427 -3.380 -1.965 1.00 72.12 C ATOM 0 H VAL A 81 -0.574 -4.288 -1.171 1.00 24.31 H new ATOM 0 HA VAL A 81 -2.498 -4.865 0.976 1.00 52.20 H new ATOM 0 HB VAL A 81 -4.184 -3.536 0.020 1.00 3.44 H new ATOM 0 HG11 VAL A 81 -3.230 -1.283 -0.249 1.00 60.14 H new ATOM 0 HG12 VAL A 81 -2.494 -2.153 1.118 1.00 60.14 H new ATOM 0 HG13 VAL A 81 -1.607 -1.994 -0.416 1.00 60.14 H new ATOM 0 HG21 VAL A 81 -4.054 -2.525 -2.220 1.00 72.12 H new ATOM 0 HG22 VAL A 81 -2.464 -3.287 -2.468 1.00 72.12 H new ATOM 0 HG23 VAL A 81 -3.917 -4.299 -2.287 1.00 72.12 H new ATOM 859 N THR A 82 -3.564 -6.683 -0.399 1.00 2.42 N ATOM 860 CA THR A 82 -4.008 -7.868 -1.121 1.00 21.04 C ATOM 861 C THR A 82 -5.521 -7.862 -1.310 1.00 4.24 C ATOM 862 O THR A 82 -6.277 -7.957 -0.343 1.00 43.34 O ATOM 863 CB THR A 82 -3.599 -9.159 -0.387 1.00 13.43 C ATOM 864 OG1 THR A 82 -2.186 -9.161 -0.148 1.00 54.31 O ATOM 865 CG2 THR A 82 -3.983 -10.387 -1.197 1.00 73.02 C ATOM 0 H THR A 82 -3.962 -6.585 0.535 1.00 2.42 H new ATOM 0 HA THR A 82 -3.523 -7.844 -2.097 1.00 21.04 H new ATOM 0 HB THR A 82 -4.128 -9.192 0.565 1.00 13.43 H new ATOM 0 HG1 THR A 82 -1.935 -9.984 0.320 1.00 54.31 H new ATOM 0 HG21 THR A 82 -3.684 -11.286 -0.658 1.00 73.02 H new ATOM 0 HG22 THR A 82 -5.062 -10.398 -1.351 1.00 73.02 H new ATOM 0 HG23 THR A 82 -3.479 -10.358 -2.163 1.00 73.02 H new ATOM 873 N SER A 83 -5.956 -7.750 -2.560 1.00 65.44 N ATOM 874 CA SER A 83 -7.379 -7.729 -2.876 1.00 20.24 C ATOM 875 C SER A 83 -7.746 -8.877 -3.812 1.00 31.22 C ATOM 876 O SER A 83 -7.462 -8.831 -5.010 1.00 14.11 O ATOM 877 CB SER A 83 -7.761 -6.393 -3.514 1.00 55.34 C ATOM 878 OG SER A 83 -6.704 -5.455 -3.408 1.00 31.22 O ATOM 0 H SER A 83 -5.343 -7.672 -3.372 1.00 65.44 H new ATOM 0 HA SER A 83 -7.934 -7.851 -1.946 1.00 20.24 H new ATOM 0 HB2 SER A 83 -8.011 -6.546 -4.564 1.00 55.34 H new ATOM 0 HB3 SER A 83 -8.653 -5.997 -3.029 1.00 55.34 H new ATOM 0 HG SER A 83 -6.573 -5.215 -2.467 1.00 31.22 H new ATOM 884 N ASP A 84 -8.378 -9.905 -3.257 1.00 65.54 N ATOM 885 CA ASP A 84 -8.784 -11.065 -4.042 1.00 72.44 C ATOM 886 C ASP A 84 -7.568 -11.840 -4.539 1.00 24.12 C ATOM 887 O ASP A 84 -7.692 -12.766 -5.340 1.00 54.21 O ATOM 888 CB ASP A 84 -9.646 -10.630 -5.229 1.00 1.34 C ATOM 889 CG ASP A 84 -11.089 -11.070 -5.089 1.00 74.53 C ATOM 890 OD1 ASP A 84 -11.684 -10.822 -4.019 1.00 50.24 O ATOM 891 OD2 ASP A 84 -11.624 -11.665 -6.049 1.00 11.11 O ATOM 0 H ASP A 84 -8.620 -9.959 -2.268 1.00 65.54 H new ATOM 0 HA ASP A 84 -9.370 -11.719 -3.397 1.00 72.44 H new ATOM 0 HB2 ASP A 84 -9.608 -9.545 -5.323 1.00 1.34 H new ATOM 0 HB3 ASP A 84 -9.230 -11.045 -6.147 1.00 1.34 H new ATOM 896 N ALA A 85 -6.391 -11.454 -4.057 1.00 25.40 N ATOM 897 CA ALA A 85 -5.151 -12.112 -4.451 1.00 25.41 C ATOM 898 C ALA A 85 -5.104 -12.339 -5.958 1.00 53.32 C ATOM 899 O ALA A 85 -5.415 -13.427 -6.443 1.00 74.32 O ATOM 900 CB ALA A 85 -4.997 -13.434 -3.712 1.00 42.42 C ATOM 0 H ALA A 85 -6.270 -10.689 -3.393 1.00 25.40 H new ATOM 0 HA ALA A 85 -4.321 -11.458 -4.182 1.00 25.41 H new ATOM 0 HB1 ALA A 85 -4.067 -13.914 -4.016 1.00 42.42 H new ATOM 0 HB2 ALA A 85 -4.976 -13.250 -2.638 1.00 42.42 H new ATOM 0 HB3 ALA A 85 -5.837 -14.085 -3.953 1.00 42.42 H new ATOM 906 N PHE A 86 -4.715 -11.304 -6.695 1.00 52.33 N ATOM 907 CA PHE A 86 -4.630 -11.389 -8.149 1.00 21.34 C ATOM 908 C PHE A 86 -4.180 -10.059 -8.747 1.00 34.43 C ATOM 909 O PHE A 86 -5.001 -9.190 -9.043 1.00 31.24 O ATOM 910 CB PHE A 86 -5.983 -11.795 -8.738 1.00 32.25 C ATOM 911 CG PHE A 86 -5.955 -13.117 -9.449 1.00 61.21 C ATOM 912 CD1 PHE A 86 -4.994 -13.381 -10.413 1.00 41.54 C ATOM 913 CD2 PHE A 86 -6.889 -14.098 -9.156 1.00 55.31 C ATOM 914 CE1 PHE A 86 -4.966 -14.596 -11.070 1.00 4.15 C ATOM 915 CE2 PHE A 86 -6.865 -15.315 -9.809 1.00 11.43 C ATOM 916 CZ PHE A 86 -5.902 -15.564 -10.767 1.00 72.34 C ATOM 0 H PHE A 86 -4.454 -10.396 -6.310 1.00 52.33 H new ATOM 0 HA PHE A 86 -3.890 -12.149 -8.400 1.00 21.34 H new ATOM 0 HB2 PHE A 86 -6.721 -11.838 -7.937 1.00 32.25 H new ATOM 0 HB3 PHE A 86 -6.313 -11.024 -9.434 1.00 32.25 H new ATOM 0 HD1 PHE A 86 -4.258 -12.628 -10.653 1.00 41.54 H new ATOM 0 HD2 PHE A 86 -7.645 -13.909 -8.408 1.00 55.31 H new ATOM 0 HE1 PHE A 86 -4.213 -14.788 -11.820 1.00 4.15 H new ATOM 0 HE2 PHE A 86 -7.599 -16.071 -9.571 1.00 11.43 H new ATOM 0 HZ PHE A 86 -5.881 -16.515 -11.278 1.00 72.34 H new ATOM 926 N LYS A 87 -2.872 -9.908 -8.920 1.00 41.23 N ATOM 927 CA LYS A 87 -2.312 -8.685 -9.483 1.00 2.32 C ATOM 928 C LYS A 87 -2.312 -8.736 -11.007 1.00 72.42 C ATOM 929 O LYS A 87 -1.762 -9.659 -11.607 1.00 64.33 O ATOM 930 CB LYS A 87 -0.886 -8.470 -8.970 1.00 51.11 C ATOM 931 CG LYS A 87 -0.039 -7.593 -9.877 1.00 24.22 C ATOM 932 CD LYS A 87 0.758 -8.423 -10.869 1.00 20.13 C ATOM 933 CE LYS A 87 2.250 -8.359 -10.577 1.00 63.42 C ATOM 934 NZ LYS A 87 2.676 -9.424 -9.627 1.00 73.00 N ATOM 0 H LYS A 87 -2.180 -10.617 -8.679 1.00 41.23 H new ATOM 0 HA LYS A 87 -2.937 -7.850 -9.166 1.00 2.32 H new ATOM 0 HB2 LYS A 87 -0.930 -8.018 -7.979 1.00 51.11 H new ATOM 0 HB3 LYS A 87 -0.399 -9.439 -8.857 1.00 51.11 H new ATOM 0 HG2 LYS A 87 -0.682 -6.898 -10.417 1.00 24.22 H new ATOM 0 HG3 LYS A 87 0.642 -6.994 -9.273 1.00 24.22 H new ATOM 0 HD2 LYS A 87 0.423 -9.459 -10.830 1.00 20.13 H new ATOM 0 HD3 LYS A 87 0.568 -8.064 -11.881 1.00 20.13 H new ATOM 0 HE2 LYS A 87 2.807 -8.460 -11.509 1.00 63.42 H new ATOM 0 HE3 LYS A 87 2.497 -7.382 -10.162 1.00 63.42 H new ATOM 0 HZ1 LYS A 87 3.699 -9.346 -9.454 1.00 73.00 H new ATOM 0 HZ2 LYS A 87 2.164 -9.313 -8.729 1.00 73.00 H new ATOM 0 HZ3 LYS A 87 2.464 -10.357 -10.034 1.00 73.00 H new ATOM 948 N GLY A 88 -2.935 -7.739 -11.629 1.00 65.04 N ATOM 949 CA GLY A 88 -2.993 -7.691 -13.078 1.00 54.23 C ATOM 950 C GLY A 88 -3.039 -6.272 -13.609 1.00 53.54 C ATOM 951 O GLY A 88 -2.416 -5.960 -14.626 1.00 21.33 O ATOM 0 H GLY A 88 -3.400 -6.965 -11.155 1.00 65.04 H new ATOM 0 HA2 GLY A 88 -2.123 -8.202 -13.491 1.00 54.23 H new ATOM 0 HA3 GLY A 88 -3.874 -8.233 -13.422 1.00 54.23 H new ATOM 955 N LEU A 89 -3.779 -5.408 -12.923 1.00 34.24 N ATOM 956 CA LEU A 89 -3.906 -4.014 -13.332 1.00 11.41 C ATOM 957 C LEU A 89 -2.808 -3.160 -12.705 1.00 32.13 C ATOM 958 O LEU A 89 -2.180 -3.560 -11.723 1.00 33.22 O ATOM 959 CB LEU A 89 -5.280 -3.468 -12.938 1.00 23.30 C ATOM 960 CG LEU A 89 -5.399 -2.911 -11.520 1.00 5.43 C ATOM 961 CD1 LEU A 89 -6.801 -2.375 -11.273 1.00 3.03 C ATOM 962 CD2 LEU A 89 -5.046 -3.979 -10.495 1.00 72.34 C ATOM 0 H LEU A 89 -4.301 -5.649 -12.080 1.00 34.24 H new ATOM 0 HA LEU A 89 -3.802 -3.969 -14.416 1.00 11.41 H new ATOM 0 HB2 LEU A 89 -5.551 -2.680 -13.640 1.00 23.30 H new ATOM 0 HB3 LEU A 89 -6.013 -4.266 -13.056 1.00 23.30 H new ATOM 0 HG LEU A 89 -4.693 -2.087 -11.414 1.00 5.43 H new ATOM 0 HD11 LEU A 89 -6.867 -1.983 -10.258 1.00 3.03 H new ATOM 0 HD12 LEU A 89 -7.017 -1.578 -11.985 1.00 3.03 H new ATOM 0 HD13 LEU A 89 -7.526 -3.180 -11.399 1.00 3.03 H new ATOM 0 HD21 LEU A 89 -5.136 -3.564 -9.491 1.00 72.34 H new ATOM 0 HD22 LEU A 89 -5.726 -4.824 -10.601 1.00 72.34 H new ATOM 0 HD23 LEU A 89 -4.022 -4.315 -10.658 1.00 72.34 H new ATOM 974 N THR A 90 -2.583 -1.981 -13.275 1.00 72.41 N ATOM 975 CA THR A 90 -1.563 -1.071 -12.772 1.00 3.44 C ATOM 976 C THR A 90 -1.609 -0.980 -11.250 1.00 63.03 C ATOM 977 O THR A 90 -2.507 -0.357 -10.682 1.00 31.41 O ATOM 978 CB THR A 90 -1.729 0.342 -13.364 1.00 13.24 C ATOM 979 OG1 THR A 90 -2.908 0.959 -12.834 1.00 43.45 O ATOM 980 CG2 THR A 90 -1.817 0.286 -14.881 1.00 55.13 C ATOM 0 H THR A 90 -3.094 -1.634 -14.086 1.00 72.41 H new ATOM 0 HA THR A 90 -0.599 -1.476 -13.081 1.00 3.44 H new ATOM 0 HB THR A 90 -0.855 0.933 -13.089 1.00 13.24 H new ATOM 0 HG1 THR A 90 -3.254 0.420 -12.092 1.00 43.45 H new ATOM 0 HG21 THR A 90 -1.934 1.295 -15.276 1.00 55.13 H new ATOM 0 HG22 THR A 90 -0.906 -0.158 -15.282 1.00 55.13 H new ATOM 0 HG23 THR A 90 -2.675 -0.320 -15.174 1.00 55.13 H new ATOM 988 N LEU A 91 -0.636 -1.604 -10.596 1.00 34.52 N ATOM 989 CA LEU A 91 -0.565 -1.593 -9.139 1.00 34.42 C ATOM 990 C LEU A 91 -0.355 -0.177 -8.614 1.00 52.02 C ATOM 991 O LEU A 91 -0.794 0.161 -7.514 1.00 72.35 O ATOM 992 CB LEU A 91 0.568 -2.501 -8.657 1.00 44.14 C ATOM 993 CG LEU A 91 1.980 -1.921 -8.752 1.00 35.02 C ATOM 994 CD1 LEU A 91 2.960 -2.766 -7.953 1.00 12.20 C ATOM 995 CD2 LEU A 91 2.419 -1.821 -10.205 1.00 33.01 C ATOM 0 H LEU A 91 0.114 -2.124 -11.051 1.00 34.52 H new ATOM 0 HA LEU A 91 -1.513 -1.967 -8.751 1.00 34.42 H new ATOM 0 HB2 LEU A 91 0.376 -2.768 -7.618 1.00 44.14 H new ATOM 0 HB3 LEU A 91 0.537 -3.425 -9.234 1.00 44.14 H new ATOM 0 HG LEU A 91 1.969 -0.917 -8.327 1.00 35.02 H new ATOM 0 HD11 LEU A 91 3.959 -2.338 -8.033 1.00 12.20 H new ATOM 0 HD12 LEU A 91 2.656 -2.784 -6.907 1.00 12.20 H new ATOM 0 HD13 LEU A 91 2.969 -3.783 -8.346 1.00 12.20 H new ATOM 0 HD21 LEU A 91 3.426 -1.406 -10.253 1.00 33.01 H new ATOM 0 HD22 LEU A 91 2.413 -2.813 -10.656 1.00 33.01 H new ATOM 0 HD23 LEU A 91 1.733 -1.172 -10.749 1.00 33.01 H new ATOM 1007 N VAL A 92 0.317 0.649 -9.408 1.00 45.02 N ATOM 1008 CA VAL A 92 0.583 2.031 -9.026 1.00 50.11 C ATOM 1009 C VAL A 92 -0.712 2.776 -8.723 1.00 22.13 C ATOM 1010 O VAL A 92 -0.710 3.789 -8.024 1.00 1.21 O ATOM 1011 CB VAL A 92 1.348 2.783 -10.132 1.00 32.43 C ATOM 1012 CG1 VAL A 92 2.627 2.043 -10.494 1.00 31.11 C ATOM 1013 CG2 VAL A 92 0.465 2.969 -11.356 1.00 41.24 C ATOM 0 H VAL A 92 0.688 0.385 -10.321 1.00 45.02 H new ATOM 0 HA VAL A 92 1.199 1.998 -8.127 1.00 50.11 H new ATOM 0 HB VAL A 92 1.622 3.769 -9.756 1.00 32.43 H new ATOM 0 HG11 VAL A 92 3.154 2.589 -11.277 1.00 31.11 H new ATOM 0 HG12 VAL A 92 3.264 1.966 -9.613 1.00 31.11 H new ATOM 0 HG13 VAL A 92 2.380 1.043 -10.852 1.00 31.11 H new ATOM 0 HG21 VAL A 92 1.020 3.502 -12.128 1.00 41.24 H new ATOM 0 HG22 VAL A 92 0.160 1.994 -11.736 1.00 41.24 H new ATOM 0 HG23 VAL A 92 -0.419 3.545 -11.083 1.00 41.24 H new ATOM 1023 N LYS A 93 -1.819 2.266 -9.252 1.00 41.04 N ATOM 1024 CA LYS A 93 -3.124 2.881 -9.038 1.00 63.22 C ATOM 1025 C LYS A 93 -3.565 2.728 -7.586 1.00 52.14 C ATOM 1026 O LYS A 93 -3.960 3.699 -6.942 1.00 42.54 O ATOM 1027 CB LYS A 93 -4.165 2.254 -9.968 1.00 3.33 C ATOM 1028 CG LYS A 93 -5.521 2.935 -9.911 1.00 4.25 C ATOM 1029 CD LYS A 93 -6.607 1.979 -9.450 1.00 62.41 C ATOM 1030 CE LYS A 93 -7.926 2.701 -9.221 1.00 64.34 C ATOM 1031 NZ LYS A 93 -8.752 2.751 -10.459 1.00 34.13 N ATOM 0 H LYS A 93 -1.839 1.428 -9.833 1.00 41.04 H new ATOM 0 HA LYS A 93 -3.039 3.944 -9.263 1.00 63.22 H new ATOM 0 HB2 LYS A 93 -3.793 2.289 -10.992 1.00 3.33 H new ATOM 0 HB3 LYS A 93 -4.285 1.202 -9.708 1.00 3.33 H new ATOM 0 HG2 LYS A 93 -5.473 3.787 -9.232 1.00 4.25 H new ATOM 0 HG3 LYS A 93 -5.774 3.326 -10.896 1.00 4.25 H new ATOM 0 HD2 LYS A 93 -6.744 1.196 -10.196 1.00 62.41 H new ATOM 0 HD3 LYS A 93 -6.294 1.489 -8.528 1.00 62.41 H new ATOM 0 HE2 LYS A 93 -8.484 2.197 -8.432 1.00 64.34 H new ATOM 0 HE3 LYS A 93 -7.729 3.715 -8.874 1.00 64.34 H new ATOM 0 HZ1 LYS A 93 -9.643 3.251 -10.262 1.00 34.13 H new ATOM 0 HZ2 LYS A 93 -8.230 3.254 -11.205 1.00 34.13 H new ATOM 0 HZ3 LYS A 93 -8.961 1.783 -10.776 1.00 34.13 H new ATOM 1045 N ARG A 94 -3.494 1.502 -7.077 1.00 61.11 N ATOM 1046 CA ARG A 94 -3.887 1.223 -5.701 1.00 4.14 C ATOM 1047 C ARG A 94 -2.996 1.977 -4.718 1.00 4.03 C ATOM 1048 O ARG A 94 -3.485 2.635 -3.799 1.00 21.12 O ATOM 1049 CB ARG A 94 -3.814 -0.280 -5.423 1.00 64.10 C ATOM 1050 CG ARG A 94 -5.090 -1.026 -5.774 1.00 75.33 C ATOM 1051 CD ARG A 94 -5.902 -1.356 -4.531 1.00 53.21 C ATOM 1052 NE ARG A 94 -6.196 -0.166 -3.737 1.00 45.32 N ATOM 1053 CZ ARG A 94 -7.125 -0.126 -2.790 1.00 15.24 C ATOM 1054 NH1 ARG A 94 -7.848 -1.203 -2.519 1.00 51.00 N ATOM 1055 NH2 ARG A 94 -7.334 0.996 -2.110 1.00 62.51 N ATOM 0 H ARG A 94 -3.168 0.687 -7.597 1.00 61.11 H new ATOM 0 HA ARG A 94 -4.914 1.561 -5.567 1.00 4.14 H new ATOM 0 HB2 ARG A 94 -2.986 -0.706 -5.990 1.00 64.10 H new ATOM 0 HB3 ARG A 94 -3.591 -0.435 -4.367 1.00 64.10 H new ATOM 0 HG2 ARG A 94 -5.691 -0.421 -6.453 1.00 75.33 H new ATOM 0 HG3 ARG A 94 -4.841 -1.946 -6.302 1.00 75.33 H new ATOM 0 HD2 ARG A 94 -6.836 -1.835 -4.825 1.00 53.21 H new ATOM 0 HD3 ARG A 94 -5.354 -2.073 -3.920 1.00 53.21 H new ATOM 0 HE ARG A 94 -5.658 0.681 -3.920 1.00 45.32 H new ATOM 0 HH11 ARG A 94 -7.691 -2.066 -3.039 1.00 51.00 H new ATOM 0 HH12 ARG A 94 -8.561 -1.169 -1.790 1.00 51.00 H new ATOM 0 HH21 ARG A 94 -6.780 1.828 -2.316 1.00 62.51 H new ATOM 0 HH22 ARG A 94 -8.048 1.026 -1.382 1.00 62.51 H new ATOM 1069 N HIS A 95 -1.685 1.876 -4.917 1.00 60.20 N ATOM 1070 CA HIS A 95 -0.726 2.548 -4.049 1.00 2.41 C ATOM 1071 C HIS A 95 -0.918 4.061 -4.094 1.00 61.42 C ATOM 1072 O HIS A 95 -0.750 4.747 -3.087 1.00 41.12 O ATOM 1073 CB HIS A 95 0.703 2.192 -4.460 1.00 25.15 C ATOM 1074 CG HIS A 95 1.749 3.001 -3.756 1.00 52.45 C ATOM 1075 ND1 HIS A 95 2.783 3.632 -4.416 1.00 24.32 N ATOM 1076 CD2 HIS A 95 1.914 3.285 -2.444 1.00 23.14 C ATOM 1077 CE1 HIS A 95 3.540 4.266 -3.539 1.00 25.44 C ATOM 1078 NE2 HIS A 95 3.035 4.071 -2.334 1.00 41.12 N ATOM 0 H HIS A 95 -1.263 1.335 -5.672 1.00 60.20 H new ATOM 0 HA HIS A 95 -0.898 2.208 -3.028 1.00 2.41 H new ATOM 0 HB2 HIS A 95 0.877 1.135 -4.259 1.00 25.15 H new ATOM 0 HB3 HIS A 95 0.809 2.334 -5.536 1.00 25.15 H new ATOM 0 HD1 HIS A 95 2.939 3.612 -5.424 1.00 24.32 H new ATOM 0 HD2 HIS A 95 1.282 2.955 -1.633 1.00 23.14 H new ATOM 0 HE1 HIS A 95 4.422 4.845 -3.768 1.00 25.44 H new ATOM 1086 N GLN A 96 -1.272 4.572 -5.269 1.00 4.54 N ATOM 1087 CA GLN A 96 -1.485 6.004 -5.445 1.00 61.13 C ATOM 1088 C GLN A 96 -2.795 6.442 -4.800 1.00 33.23 C ATOM 1089 O GLN A 96 -2.873 7.508 -4.186 1.00 65.40 O ATOM 1090 CB GLN A 96 -1.491 6.361 -6.932 1.00 41.13 C ATOM 1091 CG GLN A 96 -1.943 7.785 -7.214 1.00 42.22 C ATOM 1092 CD GLN A 96 -2.043 8.083 -8.697 1.00 61.41 C ATOM 1093 OE1 GLN A 96 -1.392 7.435 -9.518 1.00 1.03 O ATOM 1094 NE2 GLN A 96 -2.861 9.067 -9.050 1.00 30.21 N ATOM 0 H GLN A 96 -1.417 4.017 -6.112 1.00 4.54 H new ATOM 0 HA GLN A 96 -0.666 6.531 -4.955 1.00 61.13 H new ATOM 0 HB2 GLN A 96 -0.488 6.221 -7.335 1.00 41.13 H new ATOM 0 HB3 GLN A 96 -2.147 5.669 -7.461 1.00 41.13 H new ATOM 0 HG2 GLN A 96 -2.914 7.953 -6.747 1.00 42.22 H new ATOM 0 HG3 GLN A 96 -1.243 8.482 -6.754 1.00 42.22 H new ATOM 0 HE21 GLN A 96 -3.381 9.578 -8.337 1.00 30.21 H new ATOM 0 HE22 GLN A 96 -2.969 9.312 -10.034 1.00 30.21 H new ATOM 1103 N LEU A 97 -3.825 5.614 -4.942 1.00 50.03 N ATOM 1104 CA LEU A 97 -5.133 5.916 -4.373 1.00 54.22 C ATOM 1105 C LEU A 97 -5.016 6.272 -2.895 1.00 21.03 C ATOM 1106 O LEU A 97 -5.519 7.306 -2.453 1.00 45.00 O ATOM 1107 CB LEU A 97 -6.075 4.724 -4.548 1.00 73.01 C ATOM 1108 CG LEU A 97 -6.650 4.524 -5.951 1.00 33.22 C ATOM 1109 CD1 LEU A 97 -6.944 3.053 -6.203 1.00 71.12 C ATOM 1110 CD2 LEU A 97 -7.908 5.360 -6.137 1.00 15.14 C ATOM 0 H LEU A 97 -3.779 4.729 -5.446 1.00 50.03 H new ATOM 0 HA LEU A 97 -5.542 6.776 -4.904 1.00 54.22 H new ATOM 0 HB2 LEU A 97 -5.539 3.818 -4.264 1.00 73.01 H new ATOM 0 HB3 LEU A 97 -6.904 4.836 -3.850 1.00 73.01 H new ATOM 0 HG LEU A 97 -5.907 4.855 -6.677 1.00 33.22 H new ATOM 0 HD11 LEU A 97 -7.352 2.930 -7.206 1.00 71.12 H new ATOM 0 HD12 LEU A 97 -6.023 2.477 -6.113 1.00 71.12 H new ATOM 0 HD13 LEU A 97 -7.668 2.696 -5.470 1.00 71.12 H new ATOM 0 HD21 LEU A 97 -8.303 5.205 -7.141 1.00 15.14 H new ATOM 0 HD22 LEU A 97 -8.656 5.060 -5.403 1.00 15.14 H new ATOM 0 HD23 LEU A 97 -7.668 6.414 -6.001 1.00 15.14 H new ATOM 1122 N ILE A 98 -4.348 5.411 -2.136 1.00 23.43 N ATOM 1123 CA ILE A 98 -4.161 5.636 -0.708 1.00 1.44 C ATOM 1124 C ILE A 98 -3.039 6.637 -0.451 1.00 52.15 C ATOM 1125 O ILE A 98 -3.110 7.439 0.480 1.00 2.33 O ATOM 1126 CB ILE A 98 -3.841 4.324 0.033 1.00 1.10 C ATOM 1127 CG1 ILE A 98 -2.560 3.698 -0.523 1.00 10.21 C ATOM 1128 CG2 ILE A 98 -5.006 3.352 -0.085 1.00 21.21 C ATOM 1129 CD1 ILE A 98 -2.237 2.348 0.079 1.00 61.02 C ATOM 0 H ILE A 98 -3.927 4.550 -2.486 1.00 23.43 H new ATOM 0 HA ILE A 98 -5.100 6.039 -0.328 1.00 1.44 H new ATOM 0 HB ILE A 98 -3.685 4.548 1.088 1.00 1.10 H new ATOM 0 HG12 ILE A 98 -2.657 3.591 -1.603 1.00 10.21 H new ATOM 0 HG13 ILE A 98 -1.726 4.376 -0.343 1.00 10.21 H new ATOM 0 HG21 ILE A 98 -4.765 2.430 0.443 1.00 21.21 H new ATOM 0 HG22 ILE A 98 -5.898 3.799 0.353 1.00 21.21 H new ATOM 0 HG23 ILE A 98 -5.190 3.130 -1.136 1.00 21.21 H new ATOM 0 HD11 ILE A 98 -1.317 1.964 -0.361 1.00 61.02 H new ATOM 0 HD12 ILE A 98 -2.108 2.451 1.156 1.00 61.02 H new ATOM 0 HD13 ILE A 98 -3.053 1.655 -0.124 1.00 61.02 H new ATOM 1141 N TYR A 99 -2.006 6.586 -1.284 1.00 25.23 N ATOM 1142 CA TYR A 99 -0.868 7.488 -1.148 1.00 32.52 C ATOM 1143 C TYR A 99 -0.423 7.586 0.308 1.00 71.14 C ATOM 1144 O TYR A 99 -0.403 8.669 0.891 1.00 35.23 O ATOM 1145 CB TYR A 99 -1.226 8.876 -1.678 1.00 43.04 C ATOM 1146 CG TYR A 99 -0.061 9.841 -1.681 1.00 52.13 C ATOM 1147 CD1 TYR A 99 1.197 9.442 -2.116 1.00 31.23 C ATOM 1148 CD2 TYR A 99 -0.219 11.152 -1.249 1.00 41.53 C ATOM 1149 CE1 TYR A 99 2.263 10.319 -2.119 1.00 52.42 C ATOM 1150 CE2 TYR A 99 0.842 12.038 -1.252 1.00 30.43 C ATOM 1151 CZ TYR A 99 2.081 11.616 -1.688 1.00 13.44 C ATOM 1152 OH TYR A 99 3.140 12.495 -1.689 1.00 22.32 O ATOM 0 H TYR A 99 -1.933 5.929 -2.061 1.00 25.23 H new ATOM 0 HA TYR A 99 -0.043 7.084 -1.735 1.00 32.52 H new ATOM 0 HB2 TYR A 99 -1.610 8.780 -2.693 1.00 43.04 H new ATOM 0 HB3 TYR A 99 -2.030 9.292 -1.071 1.00 43.04 H new ATOM 0 HD1 TYR A 99 1.343 8.428 -2.458 1.00 31.23 H new ATOM 0 HD2 TYR A 99 -1.187 11.485 -0.905 1.00 41.53 H new ATOM 0 HE1 TYR A 99 3.235 9.991 -2.457 1.00 52.42 H new ATOM 0 HE2 TYR A 99 0.702 13.054 -0.915 1.00 30.43 H new ATOM 0 HH TYR A 99 2.841 13.367 -1.357 1.00 22.32 H new ATOM 1162 N GLY A 100 -0.064 6.444 0.889 1.00 50.40 N ATOM 1163 CA GLY A 100 0.378 6.423 2.271 1.00 14.13 C ATOM 1164 C GLY A 100 1.887 6.369 2.397 1.00 22.13 C ATOM 1165 O GLY A 100 2.466 6.984 3.293 1.00 34.02 O ATOM 0 H GLY A 100 -0.072 5.535 0.427 1.00 50.40 H new ATOM 0 HA2 GLY A 100 0.006 7.311 2.782 1.00 14.13 H new ATOM 0 HA3 GLY A 100 -0.057 5.560 2.775 1.00 14.13 H new ATOM 1169 N LEU A 101 2.528 5.630 1.498 1.00 33.53 N ATOM 1170 CA LEU A 101 3.981 5.495 1.513 1.00 50.14 C ATOM 1171 C LEU A 101 4.654 6.858 1.385 1.00 44.33 C ATOM 1172 O LEU A 101 4.012 7.851 1.041 1.00 1.43 O ATOM 1173 CB LEU A 101 4.440 4.579 0.377 1.00 34.32 C ATOM 1174 CG LEU A 101 5.666 3.712 0.669 1.00 52.11 C ATOM 1175 CD1 LEU A 101 5.243 2.351 1.198 1.00 61.30 C ATOM 1176 CD2 LEU A 101 6.519 3.560 -0.582 1.00 31.34 C ATOM 0 H LEU A 101 2.065 5.115 0.749 1.00 33.53 H new ATOM 0 HA LEU A 101 4.271 5.054 2.467 1.00 50.14 H new ATOM 0 HB2 LEU A 101 3.612 3.923 0.108 1.00 34.32 H new ATOM 0 HB3 LEU A 101 4.655 5.195 -0.496 1.00 34.32 H new ATOM 0 HG LEU A 101 6.264 4.205 1.435 1.00 52.11 H new ATOM 0 HD11 LEU A 101 6.128 1.748 1.400 1.00 61.30 H new ATOM 0 HD12 LEU A 101 4.674 2.479 2.118 1.00 61.30 H new ATOM 0 HD13 LEU A 101 4.624 1.848 0.455 1.00 61.30 H new ATOM 0 HD21 LEU A 101 7.387 2.940 -0.357 1.00 31.34 H new ATOM 0 HD22 LEU A 101 5.930 3.088 -1.369 1.00 31.34 H new ATOM 0 HD23 LEU A 101 6.851 4.542 -0.917 1.00 31.34 H new ATOM 1188 N LEU A 102 5.953 6.898 1.662 1.00 71.14 N ATOM 1189 CA LEU A 102 6.716 8.138 1.575 1.00 23.11 C ATOM 1190 C LEU A 102 6.220 9.154 2.600 1.00 45.24 C ATOM 1191 O LEU A 102 6.366 10.362 2.410 1.00 0.42 O ATOM 1192 CB LEU A 102 6.615 8.726 0.166 1.00 31.12 C ATOM 1193 CG LEU A 102 6.797 7.738 -0.987 1.00 51.01 C ATOM 1194 CD1 LEU A 102 5.541 7.682 -1.844 1.00 5.33 C ATOM 1195 CD2 LEU A 102 8.004 8.120 -1.830 1.00 71.40 C ATOM 0 H LEU A 102 6.500 6.086 1.949 1.00 71.14 H new ATOM 0 HA LEU A 102 7.760 7.910 1.791 1.00 23.11 H new ATOM 0 HB2 LEU A 102 5.639 9.201 0.061 1.00 31.12 H new ATOM 0 HB3 LEU A 102 7.364 9.512 0.067 1.00 31.12 H new ATOM 0 HG LEU A 102 6.971 6.747 -0.568 1.00 51.01 H new ATOM 0 HD11 LEU A 102 5.688 6.974 -2.660 1.00 5.33 H new ATOM 0 HD12 LEU A 102 4.697 7.361 -1.233 1.00 5.33 H new ATOM 0 HD13 LEU A 102 5.336 8.671 -2.254 1.00 5.33 H new ATOM 0 HD21 LEU A 102 8.119 7.406 -2.646 1.00 71.40 H new ATOM 0 HD22 LEU A 102 7.860 9.120 -2.240 1.00 71.40 H new ATOM 0 HD23 LEU A 102 8.900 8.108 -1.209 1.00 71.40 H new ATOM 1207 N SER A 103 5.636 8.657 3.684 1.00 52.32 N ATOM 1208 CA SER A 103 5.116 9.522 4.738 1.00 64.24 C ATOM 1209 C SER A 103 5.903 9.334 6.031 1.00 72.01 C ATOM 1210 O SER A 103 6.735 10.167 6.391 1.00 1.44 O ATOM 1211 CB SER A 103 3.634 9.230 4.981 1.00 30.22 C ATOM 1212 OG SER A 103 2.862 9.510 3.826 1.00 4.23 O ATOM 0 H SER A 103 5.510 7.660 3.857 1.00 52.32 H new ATOM 0 HA SER A 103 5.226 10.557 4.414 1.00 64.24 H new ATOM 0 HB2 SER A 103 3.508 8.184 5.262 1.00 30.22 H new ATOM 0 HB3 SER A 103 3.274 9.830 5.817 1.00 30.22 H new ATOM 0 HG SER A 103 2.776 8.697 3.285 1.00 4.23 H new ATOM 1218 N ASP A 104 5.634 8.234 6.725 1.00 13.42 N ATOM 1219 CA ASP A 104 6.317 7.935 7.979 1.00 53.31 C ATOM 1220 C ASP A 104 7.712 7.377 7.718 1.00 61.13 C ATOM 1221 O ASP A 104 8.604 7.493 8.559 1.00 73.42 O ATOM 1222 CB ASP A 104 5.502 6.938 8.804 1.00 55.14 C ATOM 1223 CG ASP A 104 6.124 6.660 10.157 1.00 75.44 C ATOM 1224 OD1 ASP A 104 7.173 5.983 10.199 1.00 33.34 O ATOM 1225 OD2 ASP A 104 5.562 7.117 11.174 1.00 3.55 O ATOM 0 H ASP A 104 4.948 7.534 6.441 1.00 13.42 H new ATOM 0 HA ASP A 104 6.416 8.864 8.540 1.00 53.31 H new ATOM 0 HB2 ASP A 104 4.493 7.326 8.944 1.00 55.14 H new ATOM 0 HB3 ASP A 104 5.410 6.003 8.251 1.00 55.14 H new ATOM 1230 N GLU A 105 7.893 6.772 6.549 1.00 42.45 N ATOM 1231 CA GLU A 105 9.180 6.194 6.178 1.00 3.52 C ATOM 1232 C GLU A 105 10.278 7.254 6.200 1.00 1.24 C ATOM 1233 O GLU A 105 11.432 6.961 6.514 1.00 10.21 O ATOM 1234 CB GLU A 105 9.098 5.558 4.790 1.00 42.01 C ATOM 1235 CG GLU A 105 9.813 6.355 3.711 1.00 20.35 C ATOM 1236 CD GLU A 105 9.558 5.811 2.319 1.00 50.31 C ATOM 1237 OE1 GLU A 105 8.374 5.652 1.953 1.00 62.45 O ATOM 1238 OE2 GLU A 105 10.540 5.546 1.595 1.00 31.04 O ATOM 0 H GLU A 105 7.165 6.669 5.842 1.00 42.45 H new ATOM 0 HA GLU A 105 9.427 5.423 6.908 1.00 3.52 H new ATOM 0 HB2 GLU A 105 9.525 4.556 4.833 1.00 42.01 H new ATOM 0 HB3 GLU A 105 8.050 5.446 4.512 1.00 42.01 H new ATOM 0 HG2 GLU A 105 9.487 7.394 3.756 1.00 20.35 H new ATOM 0 HG3 GLU A 105 10.885 6.348 3.909 1.00 20.35 H new ATOM 1245 N PHE A 106 9.911 8.486 5.865 1.00 55.33 N ATOM 1246 CA PHE A 106 10.863 9.590 5.843 1.00 31.12 C ATOM 1247 C PHE A 106 11.438 9.837 7.235 1.00 45.23 C ATOM 1248 O PHE A 106 12.602 10.213 7.380 1.00 23.31 O ATOM 1249 CB PHE A 106 10.192 10.862 5.323 1.00 14.10 C ATOM 1250 CG PHE A 106 11.114 11.750 4.539 1.00 63.10 C ATOM 1251 CD1 PHE A 106 12.074 12.515 5.182 1.00 31.43 C ATOM 1252 CD2 PHE A 106 11.023 11.820 3.157 1.00 33.35 C ATOM 1253 CE1 PHE A 106 12.926 13.333 4.464 1.00 63.54 C ATOM 1254 CE2 PHE A 106 11.872 12.635 2.434 1.00 12.15 C ATOM 1255 CZ PHE A 106 12.824 13.394 3.088 1.00 71.13 C ATOM 0 H PHE A 106 8.960 8.745 5.605 1.00 55.33 H new ATOM 0 HA PHE A 106 11.679 9.320 5.173 1.00 31.12 H new ATOM 0 HB2 PHE A 106 9.346 10.585 4.694 1.00 14.10 H new ATOM 0 HB3 PHE A 106 9.792 11.423 6.168 1.00 14.10 H new ATOM 0 HD1 PHE A 106 12.158 12.472 6.258 1.00 31.43 H new ATOM 0 HD2 PHE A 106 10.280 11.231 2.640 1.00 33.35 H new ATOM 0 HE1 PHE A 106 13.670 13.923 4.978 1.00 63.54 H new ATOM 0 HE2 PHE A 106 11.792 12.679 1.358 1.00 12.15 H new ATOM 0 HZ PHE A 106 13.487 14.034 2.524 1.00 71.13 H new ATOM 1265 N LYS A 107 10.615 9.626 8.255 1.00 14.21 N ATOM 1266 CA LYS A 107 11.039 9.825 9.636 1.00 20.20 C ATOM 1267 C LYS A 107 12.132 8.832 10.018 1.00 25.23 C ATOM 1268 O LYS A 107 12.952 9.104 10.894 1.00 20.15 O ATOM 1269 CB LYS A 107 9.847 9.677 10.585 1.00 50.24 C ATOM 1270 CG LYS A 107 10.242 9.594 12.049 1.00 0.11 C ATOM 1271 CD LYS A 107 9.253 10.333 12.935 1.00 32.55 C ATOM 1272 CE LYS A 107 8.205 9.391 13.506 1.00 75.53 C ATOM 1273 NZ LYS A 107 7.742 9.826 14.853 1.00 1.31 N ATOM 0 H LYS A 107 9.649 9.317 8.152 1.00 14.21 H new ATOM 0 HA LYS A 107 11.442 10.834 9.723 1.00 20.20 H new ATOM 0 HB2 LYS A 107 9.175 10.524 10.446 1.00 50.24 H new ATOM 0 HB3 LYS A 107 9.289 8.780 10.317 1.00 50.24 H new ATOM 0 HG2 LYS A 107 10.295 8.549 12.354 1.00 0.11 H new ATOM 0 HG3 LYS A 107 11.238 10.016 12.183 1.00 0.11 H new ATOM 0 HD2 LYS A 107 9.787 10.822 13.750 1.00 32.55 H new ATOM 0 HD3 LYS A 107 8.763 11.118 12.359 1.00 32.55 H new ATOM 0 HE2 LYS A 107 7.353 9.342 12.828 1.00 75.53 H new ATOM 0 HE3 LYS A 107 8.619 8.385 13.572 1.00 75.53 H new ATOM 0 HZ1 LYS A 107 7.028 9.158 15.207 1.00 1.31 H new ATOM 0 HZ2 LYS A 107 8.550 9.849 15.507 1.00 1.31 H new ATOM 0 HZ3 LYS A 107 7.324 10.776 14.786 1.00 1.31 H new ATOM 1287 N ALA A 108 12.138 7.681 9.353 1.00 44.32 N ATOM 1288 CA ALA A 108 13.133 6.649 9.621 1.00 55.23 C ATOM 1289 C ALA A 108 14.475 7.004 8.989 1.00 33.24 C ATOM 1290 O ALA A 108 15.526 6.839 9.607 1.00 12.41 O ATOM 1291 CB ALA A 108 12.646 5.301 9.109 1.00 4.32 C ATOM 0 H ALA A 108 11.465 7.440 8.625 1.00 44.32 H new ATOM 0 HA ALA A 108 13.274 6.586 10.700 1.00 55.23 H new ATOM 0 HB1 ALA A 108 13.398 4.540 9.316 1.00 4.32 H new ATOM 0 HB2 ALA A 108 11.715 5.036 9.610 1.00 4.32 H new ATOM 0 HB3 ALA A 108 12.475 5.360 8.034 1.00 4.32 H new ATOM 1297 N GLY A 109 14.432 7.491 7.752 1.00 13.44 N ATOM 1298 CA GLY A 109 15.651 7.860 7.057 1.00 33.34 C ATOM 1299 C GLY A 109 16.011 6.881 5.958 1.00 23.33 C ATOM 1300 O GLY A 109 16.995 7.072 5.243 1.00 51.13 O ATOM 0 H GLY A 109 13.574 7.636 7.219 1.00 13.44 H new ATOM 0 HA2 GLY A 109 15.534 8.855 6.629 1.00 33.34 H new ATOM 0 HA3 GLY A 109 16.471 7.915 7.773 1.00 33.34 H new ATOM 1304 N LEU A 110 15.214 5.827 5.823 1.00 72.42 N ATOM 1305 CA LEU A 110 15.455 4.811 4.804 1.00 75.14 C ATOM 1306 C LEU A 110 14.263 4.696 3.858 1.00 43.51 C ATOM 1307 O LEU A 110 13.112 4.827 4.274 1.00 75.00 O ATOM 1308 CB LEU A 110 15.731 3.457 5.460 1.00 65.22 C ATOM 1309 CG LEU A 110 14.958 3.163 6.745 1.00 14.01 C ATOM 1310 CD1 LEU A 110 15.500 3.993 7.897 1.00 52.24 C ATOM 1311 CD2 LEU A 110 13.472 3.429 6.546 1.00 61.22 C ATOM 0 H LEU A 110 14.395 5.653 6.406 1.00 72.42 H new ATOM 0 HA LEU A 110 16.328 5.112 4.225 1.00 75.14 H new ATOM 0 HB2 LEU A 110 15.506 2.673 4.737 1.00 65.22 H new ATOM 0 HB3 LEU A 110 16.797 3.392 5.678 1.00 65.22 H new ATOM 0 HG LEU A 110 15.089 2.109 6.991 1.00 14.01 H new ATOM 0 HD11 LEU A 110 14.937 3.770 8.803 1.00 52.24 H new ATOM 0 HD12 LEU A 110 16.551 3.753 8.055 1.00 52.24 H new ATOM 0 HD13 LEU A 110 15.401 5.052 7.660 1.00 52.24 H new ATOM 0 HD21 LEU A 110 12.937 3.214 7.471 1.00 61.22 H new ATOM 0 HD22 LEU A 110 13.323 4.474 6.274 1.00 61.22 H new ATOM 0 HD23 LEU A 110 13.091 2.789 5.750 1.00 61.22 H new ATOM 1323 N HIS A 111 14.548 4.449 2.584 1.00 51.23 N ATOM 1324 CA HIS A 111 13.499 4.314 1.579 1.00 73.34 C ATOM 1325 C HIS A 111 12.499 3.233 1.979 1.00 3.31 C ATOM 1326 O HIS A 111 12.630 2.612 3.033 1.00 4.22 O ATOM 1327 CB HIS A 111 14.109 3.981 0.216 1.00 3.13 C ATOM 1328 CG HIS A 111 14.093 5.130 -0.744 1.00 45.23 C ATOM 1329 ND1 HIS A 111 12.941 5.593 -1.344 1.00 45.01 N ATOM 1330 CD2 HIS A 111 15.097 5.913 -1.206 1.00 62.10 C ATOM 1331 CE1 HIS A 111 13.238 6.609 -2.135 1.00 60.03 C ATOM 1332 NE2 HIS A 111 14.539 6.823 -2.069 1.00 4.04 N ATOM 0 H HIS A 111 15.495 4.338 2.223 1.00 51.23 H new ATOM 0 HA HIS A 111 12.971 5.265 1.510 1.00 73.34 H new ATOM 0 HB2 HIS A 111 15.138 3.652 0.358 1.00 3.13 H new ATOM 0 HB3 HIS A 111 13.564 3.145 -0.222 1.00 3.13 H new ATOM 0 HD2 HIS A 111 16.142 5.836 -0.944 1.00 62.10 H new ATOM 0 HE1 HIS A 111 12.535 7.169 -2.734 1.00 60.03 H new ATOM 0 HE2 HIS A 111 15.047 7.547 -2.577 1.00 4.04 H new ATOM 1340 N ALA A 112 11.499 3.015 1.131 1.00 42.24 N ATOM 1341 CA ALA A 112 10.478 2.009 1.395 1.00 4.31 C ATOM 1342 C ALA A 112 10.006 1.353 0.102 1.00 14.14 C ATOM 1343 O ALA A 112 10.207 1.889 -0.988 1.00 23.05 O ATOM 1344 CB ALA A 112 9.302 2.632 2.133 1.00 4.51 C ATOM 0 H ALA A 112 11.374 3.522 0.255 1.00 42.24 H new ATOM 0 HA ALA A 112 10.919 1.236 2.024 1.00 4.31 H new ATOM 0 HB1 ALA A 112 8.547 1.869 2.324 1.00 4.51 H new ATOM 0 HB2 ALA A 112 9.646 3.047 3.080 1.00 4.51 H new ATOM 0 HB3 ALA A 112 8.870 3.426 1.524 1.00 4.51 H new ATOM 1350 N LEU A 113 9.378 0.189 0.231 1.00 52.20 N ATOM 1351 CA LEU A 113 8.877 -0.542 -0.928 1.00 51.11 C ATOM 1352 C LEU A 113 7.378 -0.793 -0.807 1.00 54.43 C ATOM 1353 O LEU A 113 6.915 -1.397 0.160 1.00 20.11 O ATOM 1354 CB LEU A 113 9.618 -1.872 -1.076 1.00 24.13 C ATOM 1355 CG LEU A 113 9.818 -2.675 0.210 1.00 75.21 C ATOM 1356 CD1 LEU A 113 9.738 -4.168 -0.075 1.00 44.51 C ATOM 1357 CD2 LEU A 113 11.149 -2.324 0.857 1.00 30.40 C ATOM 0 H LEU A 113 9.204 -0.268 1.126 1.00 52.20 H new ATOM 0 HA LEU A 113 9.054 0.066 -1.815 1.00 51.11 H new ATOM 0 HB2 LEU A 113 9.072 -2.492 -1.787 1.00 24.13 H new ATOM 0 HB3 LEU A 113 10.597 -1.673 -1.513 1.00 24.13 H new ATOM 0 HG LEU A 113 9.020 -2.415 0.905 1.00 75.21 H new ATOM 0 HD11 LEU A 113 9.883 -4.724 0.852 1.00 44.51 H new ATOM 0 HD12 LEU A 113 8.760 -4.407 -0.492 1.00 44.51 H new ATOM 0 HD13 LEU A 113 10.514 -4.444 -0.789 1.00 44.51 H new ATOM 0 HD21 LEU A 113 11.274 -2.905 1.771 1.00 30.40 H new ATOM 0 HD22 LEU A 113 11.961 -2.554 0.167 1.00 30.40 H new ATOM 0 HD23 LEU A 113 11.167 -1.261 1.098 1.00 30.40 H new ATOM 1369 N SER A 114 6.623 -0.325 -1.797 1.00 23.12 N ATOM 1370 CA SER A 114 5.175 -0.496 -1.801 1.00 72.52 C ATOM 1371 C SER A 114 4.742 -1.427 -2.930 1.00 10.32 C ATOM 1372 O SER A 114 5.154 -1.261 -4.077 1.00 41.45 O ATOM 1373 CB SER A 114 4.480 0.858 -1.946 1.00 31.23 C ATOM 1374 OG SER A 114 3.977 1.036 -3.258 1.00 71.31 O ATOM 0 H SER A 114 6.991 0.175 -2.606 1.00 23.12 H new ATOM 0 HA SER A 114 4.884 -0.945 -0.851 1.00 72.52 H new ATOM 0 HB2 SER A 114 3.663 0.930 -1.228 1.00 31.23 H new ATOM 0 HB3 SER A 114 5.182 1.658 -1.711 1.00 31.23 H new ATOM 0 HG SER A 114 4.502 1.723 -3.719 1.00 71.31 H new ATOM 1380 N MET A 115 3.907 -2.405 -2.595 1.00 2.24 N ATOM 1381 CA MET A 115 3.416 -3.362 -3.581 1.00 1.14 C ATOM 1382 C MET A 115 1.961 -3.726 -3.307 1.00 14.53 C ATOM 1383 O MET A 115 1.637 -4.289 -2.260 1.00 62.11 O ATOM 1384 CB MET A 115 4.281 -4.624 -3.572 1.00 51.54 C ATOM 1385 CG MET A 115 5.693 -4.390 -3.062 1.00 61.33 C ATOM 1386 SD MET A 115 6.821 -5.724 -3.507 1.00 4.15 S ATOM 1387 CE MET A 115 7.745 -4.958 -4.836 1.00 5.52 C ATOM 0 H MET A 115 3.556 -2.556 -1.649 1.00 2.24 H new ATOM 0 HA MET A 115 3.476 -2.896 -4.565 1.00 1.14 H new ATOM 0 HB2 MET A 115 3.800 -5.380 -2.951 1.00 51.54 H new ATOM 0 HB3 MET A 115 4.331 -5.027 -4.583 1.00 51.54 H new ATOM 0 HG2 MET A 115 6.070 -3.450 -3.466 1.00 61.33 H new ATOM 0 HG3 MET A 115 5.671 -4.285 -1.977 1.00 61.33 H new ATOM 0 HE1 MET A 115 8.485 -5.662 -5.217 1.00 5.52 H new ATOM 0 HE2 MET A 115 7.063 -4.678 -5.639 1.00 5.52 H new ATOM 0 HE3 MET A 115 8.250 -4.067 -4.462 1.00 5.52 H new ATOM 1397 N THR A 116 1.085 -3.401 -4.252 1.00 64.01 N ATOM 1398 CA THR A 116 -0.336 -3.692 -4.112 1.00 70.53 C ATOM 1399 C THR A 116 -0.811 -4.649 -5.200 1.00 11.51 C ATOM 1400 O THR A 116 -0.539 -4.445 -6.383 1.00 5.01 O ATOM 1401 CB THR A 116 -1.182 -2.407 -4.170 1.00 13.21 C ATOM 1402 OG1 THR A 116 -2.510 -2.713 -4.606 1.00 71.15 O ATOM 1403 CG2 THR A 116 -0.555 -1.388 -5.110 1.00 61.45 C ATOM 0 H THR A 116 1.335 -2.935 -5.124 1.00 64.01 H new ATOM 0 HA THR A 116 -0.467 -4.160 -3.137 1.00 70.53 H new ATOM 0 HB THR A 116 -1.220 -1.978 -3.169 1.00 13.21 H new ATOM 0 HG1 THR A 116 -2.537 -2.729 -5.585 1.00 71.15 H new ATOM 0 HG21 THR A 116 -1.170 -0.489 -5.135 1.00 61.45 H new ATOM 0 HG22 THR A 116 0.445 -1.134 -4.757 1.00 61.45 H new ATOM 0 HG23 THR A 116 -0.489 -1.810 -6.113 1.00 61.45 H new ATOM 1411 N THR A 117 -1.524 -5.695 -4.793 1.00 11.32 N ATOM 1412 CA THR A 117 -2.037 -6.683 -5.732 1.00 53.51 C ATOM 1413 C THR A 117 -3.558 -6.773 -5.660 1.00 44.22 C ATOM 1414 O THR A 117 -4.115 -7.252 -4.673 1.00 52.51 O ATOM 1415 CB THR A 117 -1.438 -8.076 -5.465 1.00 35.13 C ATOM 1416 OG1 THR A 117 -2.156 -9.069 -6.206 1.00 62.15 O ATOM 1417 CG2 THR A 117 -1.488 -8.410 -3.981 1.00 65.42 C ATOM 0 H THR A 117 -1.759 -5.879 -3.818 1.00 11.32 H new ATOM 0 HA THR A 117 -1.742 -6.354 -6.729 1.00 53.51 H new ATOM 0 HB THR A 117 -0.396 -8.067 -5.786 1.00 35.13 H new ATOM 0 HG1 THR A 117 -1.768 -9.952 -6.032 1.00 62.15 H new ATOM 0 HG21 THR A 117 -1.060 -9.399 -3.816 1.00 65.42 H new ATOM 0 HG22 THR A 117 -0.917 -7.669 -3.422 1.00 65.42 H new ATOM 0 HG23 THR A 117 -2.524 -8.402 -3.641 1.00 65.42 H new ATOM 1425 N LYS A 118 -4.223 -6.311 -6.713 1.00 14.31 N ATOM 1426 CA LYS A 118 -5.679 -6.341 -6.771 1.00 55.44 C ATOM 1427 C LYS A 118 -6.160 -6.817 -8.138 1.00 63.01 C ATOM 1428 O LYS A 118 -5.557 -6.502 -9.165 1.00 62.53 O ATOM 1429 CB LYS A 118 -6.251 -4.953 -6.473 1.00 53.30 C ATOM 1430 CG LYS A 118 -7.767 -4.894 -6.533 1.00 74.35 C ATOM 1431 CD LYS A 118 -8.247 -4.050 -7.703 1.00 34.54 C ATOM 1432 CE LYS A 118 -8.608 -2.640 -7.262 1.00 71.41 C ATOM 1433 NZ LYS A 118 -9.370 -1.910 -8.313 1.00 12.51 N ATOM 0 H LYS A 118 -3.776 -5.911 -7.538 1.00 14.31 H new ATOM 0 HA LYS A 118 -6.033 -7.043 -6.016 1.00 55.44 H new ATOM 0 HB2 LYS A 118 -5.923 -4.639 -5.482 1.00 53.30 H new ATOM 0 HB3 LYS A 118 -5.840 -4.239 -7.186 1.00 53.30 H new ATOM 0 HG2 LYS A 118 -8.168 -5.904 -6.623 1.00 74.35 H new ATOM 0 HG3 LYS A 118 -8.153 -4.479 -5.602 1.00 74.35 H new ATOM 0 HD2 LYS A 118 -7.469 -4.006 -8.465 1.00 34.54 H new ATOM 0 HD3 LYS A 118 -9.116 -4.523 -8.162 1.00 34.54 H new ATOM 0 HE2 LYS A 118 -9.201 -2.685 -6.349 1.00 71.41 H new ATOM 0 HE3 LYS A 118 -7.698 -2.089 -7.024 1.00 71.41 H new ATOM 0 HZ1 LYS A 118 -9.598 -0.953 -7.975 1.00 12.51 H new ATOM 0 HZ2 LYS A 118 -8.794 -1.844 -9.177 1.00 12.51 H new ATOM 0 HZ3 LYS A 118 -10.251 -2.422 -8.522 1.00 12.51 H new ATOM 1447 N THR A 119 -7.252 -7.577 -8.146 1.00 42.32 N ATOM 1448 CA THR A 119 -7.813 -8.095 -9.387 1.00 51.32 C ATOM 1449 C THR A 119 -8.096 -6.969 -10.376 1.00 32.33 C ATOM 1450 O THR A 119 -8.226 -5.803 -10.004 1.00 54.40 O ATOM 1451 CB THR A 119 -9.114 -8.877 -9.130 1.00 75.34 C ATOM 1452 OG1 THR A 119 -9.836 -8.286 -8.045 1.00 53.42 O ATOM 1453 CG2 THR A 119 -8.817 -10.335 -8.813 1.00 42.21 C ATOM 0 H THR A 119 -7.765 -7.847 -7.306 1.00 42.32 H new ATOM 0 HA THR A 119 -7.070 -8.769 -9.813 1.00 51.32 H new ATOM 0 HB THR A 119 -9.720 -8.835 -10.035 1.00 75.34 H new ATOM 0 HG1 THR A 119 -10.663 -8.789 -7.890 1.00 53.42 H new ATOM 0 HG21 THR A 119 -9.752 -10.866 -8.635 1.00 42.21 H new ATOM 0 HG22 THR A 119 -8.295 -10.791 -9.654 1.00 42.21 H new ATOM 0 HG23 THR A 119 -8.191 -10.394 -7.922 1.00 42.21 H new ATOM 1461 N PRO A 120 -8.195 -7.325 -11.665 1.00 13.51 N ATOM 1462 CA PRO A 120 -8.466 -6.357 -12.733 1.00 64.15 C ATOM 1463 C PRO A 120 -9.887 -5.810 -12.673 1.00 52.14 C ATOM 1464 O PRO A 120 -10.716 -6.290 -11.900 1.00 62.43 O ATOM 1465 CB PRO A 120 -8.261 -7.175 -14.012 1.00 14.34 C ATOM 1466 CG PRO A 120 -8.519 -8.585 -13.605 1.00 23.03 C ATOM 1467 CD PRO A 120 -8.051 -8.697 -12.179 1.00 53.24 C ATOM 0 HA PRO A 120 -7.822 -5.481 -12.662 1.00 64.15 H new ATOM 0 HB2 PRO A 120 -8.946 -6.858 -14.799 1.00 14.34 H new ATOM 0 HB3 PRO A 120 -7.250 -7.054 -14.402 1.00 14.34 H new ATOM 0 HG2 PRO A 120 -9.578 -8.828 -13.688 1.00 23.03 H new ATOM 0 HG3 PRO A 120 -7.981 -9.281 -14.248 1.00 23.03 H new ATOM 0 HD2 PRO A 120 -8.656 -9.404 -11.612 1.00 53.24 H new ATOM 0 HD3 PRO A 120 -7.019 -9.042 -12.121 1.00 53.24 H new ATOM 1475 N ALA A 121 -10.163 -4.802 -13.495 1.00 14.53 N ATOM 1476 CA ALA A 121 -11.486 -4.191 -13.535 1.00 71.15 C ATOM 1477 C ALA A 121 -12.256 -4.632 -14.775 1.00 73.03 C ATOM 1478 O ALA A 121 -13.479 -4.507 -14.835 1.00 14.44 O ATOM 1479 CB ALA A 121 -11.368 -2.674 -13.498 1.00 52.33 C ATOM 0 H ALA A 121 -9.489 -4.392 -14.141 1.00 14.53 H new ATOM 0 HA ALA A 121 -12.040 -4.524 -12.657 1.00 71.15 H new ATOM 0 HB1 ALA A 121 -12.363 -2.231 -13.528 1.00 52.33 H new ATOM 0 HB2 ALA A 121 -10.864 -2.371 -12.581 1.00 52.33 H new ATOM 0 HB3 ALA A 121 -10.792 -2.333 -14.358 1.00 52.33 H new ATOM 1485 N GLU A 122 -11.533 -5.149 -15.764 1.00 21.54 N ATOM 1486 CA GLU A 122 -12.149 -5.608 -17.003 1.00 2.03 C ATOM 1487 C GLU A 122 -12.459 -7.100 -16.936 1.00 73.11 C ATOM 1488 O GLU A 122 -11.628 -7.898 -16.506 1.00 64.11 O ATOM 1489 CB GLU A 122 -11.232 -5.320 -18.192 1.00 50.43 C ATOM 1490 CG GLU A 122 -11.949 -4.695 -19.377 1.00 52.22 C ATOM 1491 CD GLU A 122 -11.500 -5.276 -20.703 1.00 61.44 C ATOM 1492 OE1 GLU A 122 -11.792 -6.464 -20.959 1.00 55.55 O ATOM 1493 OE2 GLU A 122 -10.858 -4.546 -21.486 1.00 5.02 O ATOM 0 H GLU A 122 -10.520 -5.260 -15.731 1.00 21.54 H new ATOM 0 HA GLU A 122 -13.085 -5.065 -17.136 1.00 2.03 H new ATOM 0 HB2 GLU A 122 -10.432 -4.654 -17.870 1.00 50.43 H new ATOM 0 HB3 GLU A 122 -10.763 -6.250 -18.512 1.00 50.43 H new ATOM 0 HG2 GLU A 122 -13.023 -4.842 -19.265 1.00 52.22 H new ATOM 0 HG3 GLU A 122 -11.773 -3.619 -19.378 1.00 52.22 H new ATOM 1500 N GLN A 123 -13.663 -7.468 -17.364 1.00 1.24 N ATOM 1501 CA GLN A 123 -14.084 -8.864 -17.351 1.00 62.10 C ATOM 1502 C GLN A 123 -14.110 -9.437 -18.764 1.00 41.14 C ATOM 1503 O GLN A 123 -13.297 -10.294 -19.113 1.00 43.03 O ATOM 1504 CB GLN A 123 -15.466 -8.997 -16.709 1.00 11.44 C ATOM 1505 CG GLN A 123 -15.823 -10.423 -16.322 1.00 3.24 C ATOM 1506 CD GLN A 123 -14.989 -10.940 -15.167 1.00 2.04 C ATOM 1507 OE1 GLN A 123 -14.284 -10.178 -14.504 1.00 72.14 O ATOM 1508 NE2 GLN A 123 -15.063 -12.243 -14.920 1.00 11.14 N ATOM 0 H GLN A 123 -14.363 -6.819 -17.724 1.00 1.24 H new ATOM 0 HA GLN A 123 -13.362 -9.429 -16.762 1.00 62.10 H new ATOM 0 HB2 GLN A 123 -15.507 -8.367 -15.820 1.00 11.44 H new ATOM 0 HB3 GLN A 123 -16.217 -8.619 -17.402 1.00 11.44 H new ATOM 0 HG2 GLN A 123 -16.878 -10.469 -16.052 1.00 3.24 H new ATOM 0 HG3 GLN A 123 -15.686 -11.075 -17.185 1.00 3.24 H new ATOM 0 HE21 GLN A 123 -15.660 -12.838 -15.495 1.00 11.14 H new ATOM 0 HE22 GLN A 123 -14.523 -12.649 -14.156 1.00 11.14 H new TER 1517 GLN A 123