USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 710 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 29 SER OG : rot 31:sc= 1.5 USER MOD Set 1.2: A 109 THR OG1 : rot -104:sc= 1.13 USER MOD Set 2.1: A 25 HIS : no HE2:sc= 0 K(o=0,f=-0.86) USER MOD Set 2.2: A 86 GLN : amide:sc= 0 K(o=0,f=0.51) USER MOD Single : A 22 THR OG1 : rot 29:sc= 0.227 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.941 USER MOD Single : A 30 GLN : amide:sc= -0.0386 K(o=-0.039,f=-1.4) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.94! USER MOD Single : A 36 ASN : amide:sc= -0.75 K(o=-0.75,f=-1.7) USER MOD Single : A 38 ASN : amide:sc= -0.0187 K(o=-0.019,f=-0.91) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0174 K(o=-0.017,f=-0.98) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.026) USER MOD Single : A 68 SER OG : rot 1:sc= 0.723 USER MOD Single : A 71 ASN : amide:sc=-0.00389 X(o=-0.0039,f=-0.12) USER MOD Single : A 72 SER OG : rot 180:sc= -0.0076 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 82 GLN : amide:sc=-0.00851 X(o=-0.0085,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.585 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.0897 X(o=-0.09,f=-0.00055) USER MOD Single : A 100 ASN : amide:sc= -0.592 K(o=-0.59,f=-2.4) USER MOD Single : A 105 THR OG1 : rot -22:sc= 0.159 USER MOD Single : A 107 SER OG : rot 180:sc= -0.0799 USER MOD Single : A 111 GLN : amide:sc=-0.00143 X(o=-0.0014,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.0254 K(o=-0.025,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 22 10.021 -0.660 -7.369 1.00 2.22 N ATOM 2 CA THR A 22 8.634 -0.740 -6.930 1.00 12.33 C ATOM 3 C THR A 22 7.738 0.164 -7.770 1.00 4.05 C ATOM 4 O THR A 22 7.225 1.180 -7.300 1.00 22.23 O ATOM 5 CB THR A 22 8.491 -0.350 -5.446 1.00 53.14 C ATOM 6 OG1 THR A 22 9.490 -1.016 -4.666 1.00 52.13 O ATOM 7 CG2 THR A 22 7.108 -0.710 -4.923 1.00 43.23 C ATOM 0 HA THR A 22 8.321 -1.776 -7.058 1.00 12.33 H new ATOM 0 HB THR A 22 8.625 0.729 -5.362 1.00 53.14 H new ATOM 0 HG1 THR A 22 10.279 -1.186 -5.221 1.00 52.13 H new ATOM 0 HG21 THR A 22 7.030 -0.425 -3.874 1.00 43.23 H new ATOM 0 HG22 THR A 22 6.351 -0.179 -5.500 1.00 43.23 H new ATOM 0 HG23 THR A 22 6.950 -1.784 -5.020 1.00 43.23 H new ATOM 15 N PRO A 23 7.544 -0.212 -9.042 1.00 40.23 N ATOM 16 CA PRO A 23 6.709 0.551 -9.974 1.00 55.23 C ATOM 17 C PRO A 23 5.227 0.473 -9.622 1.00 70.21 C ATOM 18 O PRO A 23 4.594 -0.578 -9.728 1.00 12.30 O ATOM 19 CB PRO A 23 6.974 -0.123 -11.323 1.00 20.35 C ATOM 20 CG PRO A 23 7.388 -1.512 -10.976 1.00 54.04 C ATOM 21 CD PRO A 23 8.125 -1.411 -9.670 1.00 35.05 C ATOM 0 HA PRO A 23 6.949 1.614 -9.959 1.00 55.23 H new ATOM 0 HB2 PRO A 23 6.082 -0.120 -11.949 1.00 20.35 H new ATOM 0 HB3 PRO A 23 7.755 0.396 -11.879 1.00 20.35 H new ATOM 0 HG2 PRO A 23 6.521 -2.166 -10.885 1.00 54.04 H new ATOM 0 HG3 PRO A 23 8.026 -1.934 -11.752 1.00 54.04 H new ATOM 0 HD2 PRO A 23 7.976 -2.299 -9.055 1.00 35.05 H new ATOM 0 HD3 PRO A 23 9.199 -1.305 -9.822 1.00 35.05 H new ATOM 29 N PRO A 24 4.659 1.610 -9.193 1.00 71.32 N ATOM 30 CA PRO A 24 3.244 1.695 -8.818 1.00 5.23 C ATOM 31 C PRO A 24 2.317 1.570 -10.021 1.00 54.43 C ATOM 32 O PRO A 24 2.767 1.337 -11.143 1.00 72.24 O ATOM 33 CB PRO A 24 3.127 3.088 -8.194 1.00 13.11 C ATOM 34 CG PRO A 24 4.232 3.874 -8.810 1.00 61.12 C ATOM 35 CD PRO A 24 5.353 2.899 -9.042 1.00 45.45 C ATOM 0 HA PRO A 24 2.950 0.887 -8.149 1.00 5.23 H new ATOM 0 HB2 PRO A 24 2.156 3.536 -8.406 1.00 13.11 H new ATOM 0 HB3 PRO A 24 3.228 3.046 -7.110 1.00 13.11 H new ATOM 0 HG2 PRO A 24 3.911 4.330 -9.747 1.00 61.12 H new ATOM 0 HG3 PRO A 24 4.549 4.684 -8.153 1.00 61.12 H new ATOM 0 HD2 PRO A 24 5.928 3.152 -9.933 1.00 45.45 H new ATOM 0 HD3 PRO A 24 6.052 2.884 -8.205 1.00 45.45 H new ATOM 43 N HIS A 25 1.019 1.728 -9.781 1.00 73.11 N ATOM 44 CA HIS A 25 0.027 1.634 -10.847 1.00 20.24 C ATOM 45 C HIS A 25 0.129 0.293 -11.567 1.00 31.44 C ATOM 46 O HIS A 25 0.845 0.161 -12.560 1.00 54.52 O ATOM 47 CB HIS A 25 0.210 2.777 -11.845 1.00 43.11 C ATOM 48 CG HIS A 25 0.040 4.136 -11.238 1.00 23.31 C ATOM 49 ND1 HIS A 25 1.075 5.039 -11.113 1.00 55.13 N ATOM 50 CD2 HIS A 25 -1.053 4.744 -10.721 1.00 22.33 C ATOM 51 CE1 HIS A 25 0.625 6.143 -10.544 1.00 43.41 C ATOM 52 NE2 HIS A 25 -0.663 5.990 -10.296 1.00 41.12 N ATOM 0 H HIS A 25 0.630 1.922 -8.858 1.00 73.11 H new ATOM 0 HA HIS A 25 -0.963 1.710 -10.396 1.00 20.24 H new ATOM 0 HB2 HIS A 25 1.204 2.707 -12.286 1.00 43.11 H new ATOM 0 HB3 HIS A 25 -0.508 2.658 -12.656 1.00 43.11 H new ATOM 0 HD1 HIS A 25 2.037 4.879 -11.413 1.00 55.13 H new ATOM 0 HD2 HIS A 25 -2.047 4.327 -10.655 1.00 22.33 H new ATOM 0 HE1 HIS A 25 1.211 7.022 -10.320 1.00 43.41 H new ATOM 60 N THR A 26 -0.591 -0.703 -11.059 1.00 13.25 N ATOM 61 CA THR A 26 -0.581 -2.034 -11.651 1.00 64.14 C ATOM 62 C THR A 26 -1.162 -2.013 -13.061 1.00 24.15 C ATOM 63 O THR A 26 -0.558 -2.533 -13.998 1.00 22.41 O ATOM 64 CB THR A 26 -1.377 -3.037 -10.795 1.00 4.10 C ATOM 65 OG1 THR A 26 -2.758 -2.662 -10.759 1.00 11.12 O ATOM 66 CG2 THR A 26 -0.825 -3.096 -9.379 1.00 21.44 C ATOM 0 H THR A 26 -1.189 -0.612 -10.238 1.00 13.25 H new ATOM 0 HA THR A 26 0.461 -2.352 -11.694 1.00 64.14 H new ATOM 0 HB THR A 26 -1.281 -4.024 -11.247 1.00 4.10 H new ATOM 0 HG1 THR A 26 -3.258 -3.306 -10.214 1.00 11.12 H new ATOM 0 HG21 THR A 26 -1.403 -3.811 -8.793 1.00 21.44 H new ATOM 0 HG22 THR A 26 0.218 -3.410 -9.408 1.00 21.44 H new ATOM 0 HG23 THR A 26 -0.895 -2.110 -8.920 1.00 21.44 H new ATOM 74 N GLU A 27 -2.337 -1.408 -13.202 1.00 42.12 N ATOM 75 CA GLU A 27 -2.999 -1.320 -14.499 1.00 24.14 C ATOM 76 C GLU A 27 -3.678 0.035 -14.672 1.00 12.22 C ATOM 77 O GLU A 27 -3.994 0.728 -13.704 1.00 74.41 O ATOM 78 CB GLU A 27 -4.028 -2.442 -14.648 1.00 33.04 C ATOM 79 CG GLU A 27 -4.840 -2.695 -13.388 1.00 2.50 C ATOM 80 CD GLU A 27 -4.436 -3.973 -12.680 1.00 61.55 C ATOM 81 OE1 GLU A 27 -3.242 -4.334 -12.743 1.00 43.32 O ATOM 82 OE2 GLU A 27 -5.313 -4.614 -12.065 1.00 33.02 O ATOM 0 H GLU A 27 -2.850 -0.972 -12.436 1.00 42.12 H new ATOM 0 HA GLU A 27 -2.240 -1.428 -15.274 1.00 24.14 H new ATOM 0 HB2 GLU A 27 -4.707 -2.195 -15.464 1.00 33.04 H new ATOM 0 HB3 GLU A 27 -3.513 -3.361 -14.929 1.00 33.04 H new ATOM 0 HG2 GLU A 27 -4.718 -1.853 -12.707 1.00 2.50 H new ATOM 0 HG3 GLU A 27 -5.898 -2.746 -13.646 1.00 2.50 H new ATOM 89 N PRO A 28 -3.908 0.424 -15.935 1.00 11.23 N ATOM 90 CA PRO A 28 -4.552 1.699 -16.266 1.00 31.14 C ATOM 91 C PRO A 28 -6.029 1.718 -15.887 1.00 71.42 C ATOM 92 O PRO A 28 -6.635 0.670 -15.661 1.00 0.23 O ATOM 93 CB PRO A 28 -4.388 1.796 -17.784 1.00 61.54 C ATOM 94 CG PRO A 28 -4.265 0.383 -18.243 1.00 4.43 C ATOM 95 CD PRO A 28 -3.558 -0.351 -17.137 1.00 3.41 C ATOM 0 HA PRO A 28 -4.109 2.533 -15.722 1.00 31.14 H new ATOM 0 HB2 PRO A 28 -5.245 2.289 -18.244 1.00 61.54 H new ATOM 0 HB3 PRO A 28 -3.505 2.377 -18.050 1.00 61.54 H new ATOM 0 HG2 PRO A 28 -5.246 -0.052 -18.435 1.00 4.43 H new ATOM 0 HG3 PRO A 28 -3.701 0.323 -19.174 1.00 4.43 H new ATOM 0 HD2 PRO A 28 -3.895 -1.385 -17.061 1.00 3.41 H new ATOM 0 HD3 PRO A 28 -2.480 -0.378 -17.298 1.00 3.41 H new ATOM 103 N SER A 29 -6.603 2.915 -15.821 1.00 33.40 N ATOM 104 CA SER A 29 -8.009 3.069 -15.467 1.00 13.43 C ATOM 105 C SER A 29 -8.542 4.420 -15.935 1.00 2.43 C ATOM 106 O SER A 29 -8.333 5.441 -15.280 1.00 53.42 O ATOM 107 CB SER A 29 -8.194 2.932 -13.954 1.00 70.22 C ATOM 108 OG SER A 29 -8.084 1.579 -13.548 1.00 72.41 O ATOM 0 H SER A 29 -6.116 3.792 -16.008 1.00 33.40 H new ATOM 0 HA SER A 29 -8.573 2.282 -15.968 1.00 13.43 H new ATOM 0 HB2 SER A 29 -7.445 3.532 -13.437 1.00 70.22 H new ATOM 0 HB3 SER A 29 -9.170 3.323 -13.667 1.00 70.22 H new ATOM 0 HG SER A 29 -7.468 1.107 -14.147 1.00 72.41 H new ATOM 114 N GLN A 30 -9.230 4.416 -17.072 1.00 10.33 N ATOM 115 CA GLN A 30 -9.792 5.641 -17.628 1.00 51.32 C ATOM 116 C GLN A 30 -11.111 5.993 -16.948 1.00 2.32 C ATOM 117 O GLN A 30 -11.738 7.003 -17.270 1.00 64.31 O ATOM 118 CB GLN A 30 -10.006 5.490 -19.135 1.00 54.42 C ATOM 119 CG GLN A 30 -8.812 4.895 -19.863 1.00 60.10 C ATOM 120 CD GLN A 30 -8.881 5.100 -21.363 1.00 40.44 C ATOM 121 OE1 GLN A 30 -9.801 5.742 -21.872 1.00 61.41 O ATOM 122 NE2 GLN A 30 -7.905 4.556 -22.081 1.00 54.02 N ATOM 0 H GLN A 30 -9.412 3.579 -17.626 1.00 10.33 H new ATOM 0 HA GLN A 30 -9.084 6.450 -17.447 1.00 51.32 H new ATOM 0 HB2 GLN A 30 -10.878 4.859 -19.308 1.00 54.42 H new ATOM 0 HB3 GLN A 30 -10.230 6.468 -19.561 1.00 54.42 H new ATOM 0 HG2 GLN A 30 -7.896 5.346 -19.480 1.00 60.10 H new ATOM 0 HG3 GLN A 30 -8.755 3.828 -19.648 1.00 60.10 H new ATOM 0 HE21 GLN A 30 -7.162 4.032 -21.618 1.00 54.02 H new ATOM 0 HE22 GLN A 30 -7.898 4.662 -23.095 1.00 54.02 H new ATOM 131 N VAL A 31 -11.527 5.154 -16.005 1.00 32.11 N ATOM 132 CA VAL A 31 -12.771 5.377 -15.278 1.00 74.31 C ATOM 133 C VAL A 31 -12.511 5.564 -13.788 1.00 12.33 C ATOM 134 O VAL A 31 -11.572 4.993 -13.234 1.00 31.14 O ATOM 135 CB VAL A 31 -13.753 4.206 -15.473 1.00 62.24 C ATOM 136 CG1 VAL A 31 -13.978 3.939 -16.954 1.00 21.32 C ATOM 137 CG2 VAL A 31 -13.240 2.958 -14.770 1.00 42.31 C ATOM 0 H VAL A 31 -11.021 4.313 -15.726 1.00 32.11 H new ATOM 0 HA VAL A 31 -13.215 6.286 -15.683 1.00 74.31 H new ATOM 0 HB VAL A 31 -14.710 4.479 -15.028 1.00 62.24 H new ATOM 0 HG11 VAL A 31 -14.674 3.109 -17.072 1.00 21.32 H new ATOM 0 HG12 VAL A 31 -14.392 4.830 -17.426 1.00 21.32 H new ATOM 0 HG13 VAL A 31 -13.029 3.687 -17.427 1.00 21.32 H new ATOM 0 HG21 VAL A 31 -13.946 2.141 -14.918 1.00 42.31 H new ATOM 0 HG22 VAL A 31 -12.271 2.680 -15.184 1.00 42.31 H new ATOM 0 HG23 VAL A 31 -13.135 3.158 -13.704 1.00 42.31 H new ATOM 147 N VAL A 32 -13.350 6.369 -13.143 1.00 30.12 N ATOM 148 CA VAL A 32 -13.212 6.631 -11.715 1.00 54.22 C ATOM 149 C VAL A 32 -14.544 6.458 -10.994 1.00 11.13 C ATOM 150 O VAL A 32 -15.584 6.916 -11.468 1.00 53.35 O ATOM 151 CB VAL A 32 -12.681 8.053 -11.454 1.00 41.25 C ATOM 152 CG1 VAL A 32 -11.377 8.281 -12.203 1.00 5.40 C ATOM 153 CG2 VAL A 32 -13.721 9.091 -11.850 1.00 24.13 C ATOM 0 H VAL A 32 -14.132 6.851 -13.587 1.00 30.12 H new ATOM 0 HA VAL A 32 -12.495 5.907 -11.328 1.00 54.22 H new ATOM 0 HB VAL A 32 -12.483 8.159 -10.387 1.00 41.25 H new ATOM 0 HG11 VAL A 32 -11.017 9.291 -12.007 1.00 5.40 H new ATOM 0 HG12 VAL A 32 -10.633 7.559 -11.867 1.00 5.40 H new ATOM 0 HG13 VAL A 32 -11.545 8.157 -13.273 1.00 5.40 H new ATOM 0 HG21 VAL A 32 -13.329 10.090 -11.659 1.00 24.13 H new ATOM 0 HG22 VAL A 32 -13.952 8.989 -12.910 1.00 24.13 H new ATOM 0 HG23 VAL A 32 -14.628 8.939 -11.265 1.00 24.13 H new ATOM 163 N LEU A 33 -14.506 5.794 -9.844 1.00 5.34 N ATOM 164 CA LEU A 33 -15.710 5.560 -9.054 1.00 40.44 C ATOM 165 C LEU A 33 -15.787 6.529 -7.879 1.00 13.22 C ATOM 166 O LEU A 33 -14.850 6.636 -7.087 1.00 61.04 O ATOM 167 CB LEU A 33 -15.737 4.119 -8.545 1.00 34.54 C ATOM 168 CG LEU A 33 -17.123 3.515 -8.313 1.00 21.24 C ATOM 169 CD1 LEU A 33 -17.005 2.119 -7.722 1.00 23.54 C ATOM 170 CD2 LEU A 33 -17.950 4.412 -7.404 1.00 54.20 C ATOM 0 H LEU A 33 -13.654 5.408 -9.438 1.00 5.34 H new ATOM 0 HA LEU A 33 -16.575 5.728 -9.696 1.00 40.44 H new ATOM 0 HB2 LEU A 33 -15.205 3.492 -9.260 1.00 34.54 H new ATOM 0 HB3 LEU A 33 -15.182 4.075 -7.608 1.00 34.54 H new ATOM 0 HG LEU A 33 -17.630 3.439 -9.275 1.00 21.24 H new ATOM 0 HD11 LEU A 33 -18.001 1.705 -7.564 1.00 23.54 H new ATOM 0 HD12 LEU A 33 -16.451 1.479 -8.409 1.00 23.54 H new ATOM 0 HD13 LEU A 33 -16.478 2.171 -6.769 1.00 23.54 H new ATOM 0 HD21 LEU A 33 -18.933 3.967 -7.250 1.00 54.20 H new ATOM 0 HD22 LEU A 33 -17.446 4.520 -6.444 1.00 54.20 H new ATOM 0 HD23 LEU A 33 -18.064 5.392 -7.866 1.00 54.20 H new ATOM 182 N ILE A 34 -16.910 7.231 -7.770 1.00 33.21 N ATOM 183 CA ILE A 34 -17.111 8.188 -6.689 1.00 22.21 C ATOM 184 C ILE A 34 -18.309 7.802 -5.829 1.00 14.23 C ATOM 185 O ILE A 34 -19.298 7.261 -6.327 1.00 5.44 O ATOM 186 CB ILE A 34 -17.320 9.614 -7.231 1.00 41.11 C ATOM 187 CG1 ILE A 34 -18.563 9.668 -8.121 1.00 74.40 C ATOM 188 CG2 ILE A 34 -16.091 10.073 -8.001 1.00 42.50 C ATOM 189 CD1 ILE A 34 -18.247 9.789 -9.595 1.00 62.12 C ATOM 0 H ILE A 34 -17.695 7.155 -8.417 1.00 33.21 H new ATOM 0 HA ILE A 34 -16.208 8.169 -6.079 1.00 22.21 H new ATOM 0 HB ILE A 34 -17.470 10.289 -6.388 1.00 41.11 H new ATOM 0 HG12 ILE A 34 -19.156 8.768 -7.958 1.00 74.40 H new ATOM 0 HG13 ILE A 34 -19.179 10.515 -7.819 1.00 74.40 H new ATOM 0 HG21 ILE A 34 -16.254 11.083 -8.378 1.00 42.50 H new ATOM 0 HG22 ILE A 34 -15.224 10.068 -7.340 1.00 42.50 H new ATOM 0 HG23 ILE A 34 -15.913 9.398 -8.838 1.00 42.50 H new ATOM 0 HD11 ILE A 34 -19.176 9.822 -10.165 1.00 62.12 H new ATOM 0 HD12 ILE A 34 -17.680 10.703 -9.772 1.00 62.12 H new ATOM 0 HD13 ILE A 34 -17.657 8.929 -9.912 1.00 62.12 H new ATOM 201 N THR A 35 -18.217 8.086 -4.533 1.00 61.40 N ATOM 202 CA THR A 35 -19.293 7.770 -3.603 1.00 32.43 C ATOM 203 C THR A 35 -19.442 8.856 -2.544 1.00 4.21 C ATOM 204 O THR A 35 -18.771 9.886 -2.600 1.00 53.11 O ATOM 205 CB THR A 35 -19.053 6.418 -2.904 1.00 74.45 C ATOM 206 OG1 THR A 35 -18.022 6.551 -1.920 1.00 72.20 O ATOM 207 CG2 THR A 35 -18.663 5.349 -3.914 1.00 62.11 C ATOM 0 H THR A 35 -17.407 8.535 -4.104 1.00 61.40 H new ATOM 0 HA THR A 35 -20.210 7.710 -4.190 1.00 32.43 H new ATOM 0 HB THR A 35 -19.981 6.115 -2.418 1.00 74.45 H new ATOM 0 HG1 THR A 35 -17.877 5.688 -1.479 1.00 72.20 H new ATOM 0 HG21 THR A 35 -18.499 4.403 -3.398 1.00 62.11 H new ATOM 0 HG22 THR A 35 -19.463 5.229 -4.644 1.00 62.11 H new ATOM 0 HG23 THR A 35 -17.747 5.648 -4.425 1.00 62.11 H new ATOM 215 N ASN A 36 -20.324 8.619 -1.579 1.00 21.24 N ATOM 216 CA ASN A 36 -20.560 9.578 -0.506 1.00 41.40 C ATOM 217 C ASN A 36 -21.140 10.878 -1.056 1.00 71.34 C ATOM 218 O ASN A 36 -20.801 11.966 -0.592 1.00 0.43 O ATOM 219 CB ASN A 36 -19.258 9.866 0.245 1.00 72.21 C ATOM 220 CG ASN A 36 -19.472 10.009 1.739 1.00 13.23 C ATOM 221 OD1 ASN A 36 -20.118 10.952 2.197 1.00 34.34 O ATOM 222 ND2 ASN A 36 -18.929 9.072 2.507 1.00 30.13 N ATOM 0 H ASN A 36 -20.887 7.771 -1.518 1.00 21.24 H new ATOM 0 HA ASN A 36 -21.282 9.142 0.185 1.00 41.40 H new ATOM 0 HB2 ASN A 36 -18.548 9.060 0.058 1.00 72.21 H new ATOM 0 HB3 ASN A 36 -18.812 10.781 -0.145 1.00 72.21 H new ATOM 0 HD21 ASN A 36 -19.039 9.116 3.520 1.00 30.13 H new ATOM 0 HD22 ASN A 36 -18.402 8.308 2.084 1.00 30.13 H new ATOM 229 N ILE A 37 -22.016 10.755 -2.048 1.00 32.33 N ATOM 230 CA ILE A 37 -22.645 11.919 -2.660 1.00 24.22 C ATOM 231 C ILE A 37 -24.114 12.021 -2.266 1.00 73.31 C ATOM 232 O ILE A 37 -24.839 11.026 -2.270 1.00 4.44 O ATOM 233 CB ILE A 37 -22.538 11.874 -4.196 1.00 32.44 C ATOM 234 CG1 ILE A 37 -22.989 10.509 -4.720 1.00 21.31 C ATOM 235 CG2 ILE A 37 -21.113 12.172 -4.637 1.00 12.43 C ATOM 236 CD1 ILE A 37 -23.201 10.477 -6.217 1.00 63.53 C ATOM 0 H ILE A 37 -22.306 9.861 -2.445 1.00 32.33 H new ATOM 0 HA ILE A 37 -22.112 12.796 -2.293 1.00 24.22 H new ATOM 0 HB ILE A 37 -23.194 12.638 -4.614 1.00 32.44 H new ATOM 0 HG12 ILE A 37 -22.243 9.761 -4.451 1.00 21.31 H new ATOM 0 HG13 ILE A 37 -23.917 10.227 -4.224 1.00 21.31 H new ATOM 0 HG21 ILE A 37 -21.054 12.136 -5.725 1.00 12.43 H new ATOM 0 HG22 ILE A 37 -20.825 13.164 -4.290 1.00 12.43 H new ATOM 0 HG23 ILE A 37 -20.438 11.429 -4.212 1.00 12.43 H new ATOM 0 HD11 ILE A 37 -23.520 9.479 -6.518 1.00 63.53 H new ATOM 0 HD12 ILE A 37 -23.968 11.201 -6.491 1.00 63.53 H new ATOM 0 HD13 ILE A 37 -22.268 10.728 -6.722 1.00 63.53 H new ATOM 248 N ASN A 38 -24.548 13.231 -1.929 1.00 33.24 N ATOM 249 CA ASN A 38 -25.933 13.464 -1.533 1.00 63.45 C ATOM 250 C ASN A 38 -26.875 13.277 -2.718 1.00 74.14 C ATOM 251 O ASN A 38 -26.850 14.033 -3.689 1.00 45.54 O ATOM 252 CB ASN A 38 -26.091 14.873 -0.959 1.00 22.22 C ATOM 253 CG ASN A 38 -26.692 14.865 0.433 1.00 13.33 C ATOM 254 OD1 ASN A 38 -27.773 15.411 0.658 1.00 45.52 O ATOM 255 ND2 ASN A 38 -25.993 14.244 1.376 1.00 12.54 N ATOM 0 H ASN A 38 -23.961 14.065 -1.922 1.00 33.24 H new ATOM 0 HA ASN A 38 -26.193 12.735 -0.765 1.00 63.45 H new ATOM 0 HB2 ASN A 38 -25.117 15.362 -0.929 1.00 22.22 H new ATOM 0 HB3 ASN A 38 -26.723 15.464 -1.622 1.00 22.22 H new ATOM 0 HD21 ASN A 38 -26.347 14.206 2.332 1.00 12.54 H new ATOM 0 HD22 ASN A 38 -25.102 13.805 1.145 1.00 12.54 H new ATOM 262 N PRO A 39 -27.729 12.245 -2.639 1.00 0.34 N ATOM 263 CA PRO A 39 -28.697 11.935 -3.695 1.00 11.42 C ATOM 264 C PRO A 39 -29.809 12.975 -3.786 1.00 3.24 C ATOM 265 O PRO A 39 -30.622 12.948 -4.709 1.00 21.24 O ATOM 266 CB PRO A 39 -29.266 10.580 -3.268 1.00 12.13 C ATOM 267 CG PRO A 39 -29.081 10.540 -1.790 1.00 63.01 C ATOM 268 CD PRO A 39 -27.815 11.302 -1.511 1.00 12.53 C ATOM 0 HA PRO A 39 -28.234 11.927 -4.682 1.00 11.42 H new ATOM 0 HB2 PRO A 39 -30.318 10.490 -3.538 1.00 12.13 H new ATOM 0 HB3 PRO A 39 -28.740 9.759 -3.755 1.00 12.13 H new ATOM 0 HG2 PRO A 39 -29.930 10.993 -1.278 1.00 63.01 H new ATOM 0 HG3 PRO A 39 -29.005 9.513 -1.434 1.00 63.01 H new ATOM 0 HD2 PRO A 39 -27.862 11.823 -0.555 1.00 12.53 H new ATOM 0 HD3 PRO A 39 -26.949 10.642 -1.472 1.00 12.53 H new ATOM 276 N GLU A 40 -29.837 13.891 -2.822 1.00 63.31 N ATOM 277 CA GLU A 40 -30.850 14.939 -2.795 1.00 2.13 C ATOM 278 C GLU A 40 -30.915 15.668 -4.134 1.00 3.13 C ATOM 279 O GLU A 40 -31.964 16.180 -4.524 1.00 42.52 O ATOM 280 CB GLU A 40 -30.553 15.936 -1.673 1.00 15.25 C ATOM 281 CG GLU A 40 -31.277 15.624 -0.374 1.00 32.54 C ATOM 282 CD GLU A 40 -30.750 16.430 0.797 1.00 43.31 C ATOM 283 OE1 GLU A 40 -29.907 17.323 0.571 1.00 42.41 O ATOM 284 OE2 GLU A 40 -31.181 16.168 1.939 1.00 4.15 O ATOM 0 H GLU A 40 -29.170 13.928 -2.051 1.00 63.31 H new ATOM 0 HA GLU A 40 -31.816 14.470 -2.609 1.00 2.13 H new ATOM 0 HB2 GLU A 40 -29.479 15.951 -1.486 1.00 15.25 H new ATOM 0 HB3 GLU A 40 -30.833 16.936 -2.004 1.00 15.25 H new ATOM 0 HG2 GLU A 40 -32.341 15.825 -0.499 1.00 32.54 H new ATOM 0 HG3 GLU A 40 -31.177 14.561 -0.153 1.00 32.54 H new ATOM 291 N VAL A 41 -29.785 15.711 -4.833 1.00 20.20 N ATOM 292 CA VAL A 41 -29.712 16.376 -6.128 1.00 53.13 C ATOM 293 C VAL A 41 -29.871 15.377 -7.269 1.00 11.01 C ATOM 294 O VAL A 41 -29.264 14.306 -7.278 1.00 32.10 O ATOM 295 CB VAL A 41 -28.378 17.127 -6.300 1.00 32.52 C ATOM 296 CG1 VAL A 41 -27.204 16.179 -6.106 1.00 1.51 C ATOM 297 CG2 VAL A 41 -28.315 17.795 -7.665 1.00 31.11 C ATOM 0 H VAL A 41 -28.908 15.293 -4.524 1.00 20.20 H new ATOM 0 HA VAL A 41 -30.531 17.094 -6.161 1.00 53.13 H new ATOM 0 HB VAL A 41 -28.317 17.904 -5.538 1.00 32.52 H new ATOM 0 HG11 VAL A 41 -26.270 16.726 -6.231 1.00 1.51 H new ATOM 0 HG12 VAL A 41 -27.243 15.752 -5.104 1.00 1.51 H new ATOM 0 HG13 VAL A 41 -27.257 15.378 -6.844 1.00 1.51 H new ATOM 0 HG21 VAL A 41 -27.366 18.321 -7.769 1.00 31.11 H new ATOM 0 HG22 VAL A 41 -28.398 17.038 -8.445 1.00 31.11 H new ATOM 0 HG23 VAL A 41 -29.136 18.506 -7.761 1.00 31.11 H new ATOM 307 N PRO A 42 -30.706 15.734 -8.256 1.00 35.32 N ATOM 308 CA PRO A 42 -30.964 14.883 -9.421 1.00 72.51 C ATOM 309 C PRO A 42 -29.756 14.785 -10.346 1.00 40.03 C ATOM 310 O PRO A 42 -28.962 15.720 -10.449 1.00 1.44 O ATOM 311 CB PRO A 42 -32.123 15.590 -10.128 1.00 11.02 C ATOM 312 CG PRO A 42 -32.006 17.016 -9.713 1.00 32.05 C ATOM 313 CD PRO A 42 -31.463 16.996 -8.310 1.00 73.34 C ATOM 0 HA PRO A 42 -31.186 13.855 -9.133 1.00 72.51 H new ATOM 0 HB2 PRO A 42 -32.049 15.485 -11.210 1.00 11.02 H new ATOM 0 HB3 PRO A 42 -33.084 15.169 -9.832 1.00 11.02 H new ATOM 0 HG2 PRO A 42 -31.341 17.564 -10.381 1.00 32.05 H new ATOM 0 HG3 PRO A 42 -32.975 17.514 -9.749 1.00 32.05 H new ATOM 0 HD2 PRO A 42 -30.824 17.857 -8.114 1.00 73.34 H new ATOM 0 HD3 PRO A 42 -32.262 17.017 -7.569 1.00 73.34 H new ATOM 321 N LYS A 43 -29.622 13.647 -11.019 1.00 54.35 N ATOM 322 CA LYS A 43 -28.512 13.427 -11.938 1.00 41.24 C ATOM 323 C LYS A 43 -28.350 14.609 -12.889 1.00 3.22 C ATOM 324 O LYS A 43 -27.233 14.970 -13.259 1.00 72.35 O ATOM 325 CB LYS A 43 -28.733 12.142 -12.739 1.00 63.11 C ATOM 326 CG LYS A 43 -27.753 11.964 -13.887 1.00 15.44 C ATOM 327 CD LYS A 43 -28.308 12.527 -15.185 1.00 5.44 C ATOM 328 CE LYS A 43 -28.146 11.543 -16.333 1.00 45.41 C ATOM 329 NZ LYS A 43 -28.363 12.193 -17.655 1.00 53.21 N ATOM 0 H LYS A 43 -30.269 12.862 -10.945 1.00 54.35 H new ATOM 0 HA LYS A 43 -27.600 13.329 -11.349 1.00 41.24 H new ATOM 0 HB2 LYS A 43 -28.652 11.287 -12.068 1.00 63.11 H new ATOM 0 HB3 LYS A 43 -29.748 12.141 -13.136 1.00 63.11 H new ATOM 0 HG2 LYS A 43 -26.814 12.462 -13.645 1.00 15.44 H new ATOM 0 HG3 LYS A 43 -27.529 10.905 -14.015 1.00 15.44 H new ATOM 0 HD2 LYS A 43 -29.363 12.768 -15.057 1.00 5.44 H new ATOM 0 HD3 LYS A 43 -27.796 13.458 -15.427 1.00 5.44 H new ATOM 0 HE2 LYS A 43 -27.147 11.109 -16.301 1.00 45.41 H new ATOM 0 HE3 LYS A 43 -28.853 10.723 -16.211 1.00 45.41 H new ATOM 0 HZ1 LYS A 43 -28.244 11.489 -18.412 1.00 53.21 H new ATOM 0 HZ2 LYS A 43 -29.325 12.585 -17.695 1.00 53.21 H new ATOM 0 HZ3 LYS A 43 -27.672 12.959 -17.783 1.00 53.21 H new ATOM 343 N GLU A 44 -29.471 15.208 -13.278 1.00 1.54 N ATOM 344 CA GLU A 44 -29.451 16.350 -14.184 1.00 51.42 C ATOM 345 C GLU A 44 -28.529 17.447 -13.658 1.00 74.11 C ATOM 346 O GLU A 44 -27.666 17.947 -14.379 1.00 25.11 O ATOM 347 CB GLU A 44 -30.865 16.904 -14.373 1.00 42.42 C ATOM 348 CG GLU A 44 -31.191 17.261 -15.814 1.00 34.42 C ATOM 349 CD GLU A 44 -32.677 17.464 -16.042 1.00 4.50 C ATOM 350 OE1 GLU A 44 -33.297 18.224 -15.269 1.00 54.05 O ATOM 351 OE2 GLU A 44 -33.218 16.864 -16.994 1.00 62.10 O ATOM 0 H GLU A 44 -30.404 14.922 -12.980 1.00 1.54 H new ATOM 0 HA GLU A 44 -29.070 16.010 -15.147 1.00 51.42 H new ATOM 0 HB2 GLU A 44 -31.585 16.167 -14.018 1.00 42.42 H new ATOM 0 HB3 GLU A 44 -30.985 17.791 -13.752 1.00 42.42 H new ATOM 0 HG2 GLU A 44 -30.657 18.171 -16.089 1.00 34.42 H new ATOM 0 HG3 GLU A 44 -30.831 16.469 -16.471 1.00 34.42 H new ATOM 358 N LYS A 45 -28.720 17.817 -12.396 1.00 71.23 N ATOM 359 CA LYS A 45 -27.907 18.853 -11.771 1.00 51.21 C ATOM 360 C LYS A 45 -26.577 18.284 -11.287 1.00 73.33 C ATOM 361 O LYS A 45 -25.516 18.854 -11.543 1.00 50.14 O ATOM 362 CB LYS A 45 -28.661 19.483 -10.598 1.00 11.41 C ATOM 363 CG LYS A 45 -29.385 20.768 -10.960 1.00 53.43 C ATOM 364 CD LYS A 45 -30.833 20.741 -10.500 1.00 52.31 C ATOM 365 CE LYS A 45 -30.952 21.049 -9.015 1.00 40.33 C ATOM 366 NZ LYS A 45 -32.165 21.858 -8.712 1.00 34.52 N ATOM 0 H LYS A 45 -29.431 17.414 -11.786 1.00 71.23 H new ATOM 0 HA LYS A 45 -27.703 19.620 -12.518 1.00 51.21 H new ATOM 0 HB2 LYS A 45 -29.385 18.764 -10.214 1.00 11.41 H new ATOM 0 HB3 LYS A 45 -27.956 19.688 -9.792 1.00 11.41 H new ATOM 0 HG2 LYS A 45 -28.873 21.616 -10.504 1.00 53.43 H new ATOM 0 HG3 LYS A 45 -29.348 20.916 -12.039 1.00 53.43 H new ATOM 0 HD2 LYS A 45 -31.411 21.468 -11.071 1.00 52.31 H new ATOM 0 HD3 LYS A 45 -31.263 19.760 -10.705 1.00 52.31 H new ATOM 0 HE2 LYS A 45 -30.988 20.116 -8.452 1.00 40.33 H new ATOM 0 HE3 LYS A 45 -30.064 21.587 -8.683 1.00 40.33 H new ATOM 0 HZ1 LYS A 45 -32.210 22.047 -7.690 1.00 34.52 H new ATOM 0 HZ2 LYS A 45 -32.119 22.759 -9.229 1.00 34.52 H new ATOM 0 HZ3 LYS A 45 -33.014 21.334 -9.005 1.00 34.52 H new ATOM 380 N LEU A 46 -26.641 17.156 -10.588 1.00 74.24 N ATOM 381 CA LEU A 46 -25.442 16.508 -10.070 1.00 64.20 C ATOM 382 C LEU A 46 -24.410 16.308 -11.175 1.00 43.24 C ATOM 383 O LEU A 46 -23.289 16.810 -11.089 1.00 32.23 O ATOM 384 CB LEU A 46 -25.798 15.160 -9.440 1.00 3.33 C ATOM 385 CG LEU A 46 -24.656 14.149 -9.328 1.00 13.03 C ATOM 386 CD1 LEU A 46 -24.651 13.500 -7.952 1.00 52.04 C ATOM 387 CD2 LEU A 46 -24.770 13.093 -10.417 1.00 54.04 C ATOM 0 H LEU A 46 -27.511 16.671 -10.367 1.00 74.24 H new ATOM 0 HA LEU A 46 -25.010 17.156 -9.307 1.00 64.20 H new ATOM 0 HB2 LEU A 46 -26.195 15.342 -8.441 1.00 3.33 H new ATOM 0 HB3 LEU A 46 -26.600 14.709 -10.024 1.00 3.33 H new ATOM 0 HG LEU A 46 -23.713 14.679 -9.461 1.00 13.03 H new ATOM 0 HD11 LEU A 46 -23.832 12.784 -7.891 1.00 52.04 H new ATOM 0 HD12 LEU A 46 -24.520 14.267 -7.188 1.00 52.04 H new ATOM 0 HD13 LEU A 46 -25.597 12.984 -7.790 1.00 52.04 H new ATOM 0 HD21 LEU A 46 -23.949 12.382 -10.322 1.00 54.04 H new ATOM 0 HD22 LEU A 46 -25.719 12.567 -10.316 1.00 54.04 H new ATOM 0 HD23 LEU A 46 -24.723 13.572 -11.395 1.00 54.04 H new ATOM 399 N GLN A 47 -24.797 15.574 -12.214 1.00 2.52 N ATOM 400 CA GLN A 47 -23.905 15.310 -13.337 1.00 11.51 C ATOM 401 C GLN A 47 -23.287 16.604 -13.857 1.00 2.02 C ATOM 402 O GLN A 47 -22.086 16.668 -14.118 1.00 50.20 O ATOM 403 CB GLN A 47 -24.663 14.605 -14.463 1.00 15.24 C ATOM 404 CG GLN A 47 -23.756 13.994 -15.518 1.00 22.55 C ATOM 405 CD GLN A 47 -24.345 14.074 -16.912 1.00 71.50 C ATOM 406 OE1 GLN A 47 -25.564 14.101 -17.083 1.00 13.44 O ATOM 407 NE2 GLN A 47 -23.480 14.111 -17.919 1.00 54.21 N ATOM 0 H GLN A 47 -25.722 15.152 -12.301 1.00 2.52 H new ATOM 0 HA GLN A 47 -23.103 14.661 -12.986 1.00 11.51 H new ATOM 0 HB2 GLN A 47 -25.287 13.821 -14.034 1.00 15.24 H new ATOM 0 HB3 GLN A 47 -25.333 15.319 -14.941 1.00 15.24 H new ATOM 0 HG2 GLN A 47 -22.794 14.506 -15.505 1.00 22.55 H new ATOM 0 HG3 GLN A 47 -23.566 12.950 -15.268 1.00 22.55 H new ATOM 0 HE21 GLN A 47 -22.478 14.086 -17.731 1.00 54.21 H new ATOM 0 HE22 GLN A 47 -23.818 14.164 -18.880 1.00 54.21 H new ATOM 416 N ALA A 48 -24.116 17.632 -14.005 1.00 44.40 N ATOM 417 CA ALA A 48 -23.650 18.925 -14.492 1.00 63.22 C ATOM 418 C ALA A 48 -22.435 19.403 -13.704 1.00 42.05 C ATOM 419 O ALA A 48 -21.488 19.947 -14.274 1.00 2.42 O ATOM 420 CB ALA A 48 -24.769 19.953 -14.415 1.00 71.51 C ATOM 0 H ALA A 48 -25.113 17.595 -13.795 1.00 44.40 H new ATOM 0 HA ALA A 48 -23.351 18.807 -15.534 1.00 63.22 H new ATOM 0 HB1 ALA A 48 -24.407 20.913 -14.782 1.00 71.51 H new ATOM 0 HB2 ALA A 48 -25.608 19.624 -15.028 1.00 71.51 H new ATOM 0 HB3 ALA A 48 -25.095 20.059 -13.380 1.00 71.51 H new ATOM 426 N LEU A 49 -22.468 19.197 -12.393 1.00 1.45 N ATOM 427 CA LEU A 49 -21.369 19.608 -11.526 1.00 1.34 C ATOM 428 C LEU A 49 -20.161 18.695 -11.708 1.00 1.11 C ATOM 429 O LEU A 49 -19.032 19.164 -11.859 1.00 61.12 O ATOM 430 CB LEU A 49 -21.815 19.597 -10.063 1.00 34.54 C ATOM 431 CG LEU A 49 -21.838 20.953 -9.357 1.00 24.33 C ATOM 432 CD1 LEU A 49 -20.490 21.644 -9.487 1.00 45.51 C ATOM 433 CD2 LEU A 49 -22.946 21.830 -9.921 1.00 21.41 C ATOM 0 H LEU A 49 -23.244 18.748 -11.906 1.00 1.45 H new ATOM 0 HA LEU A 49 -21.080 20.622 -11.803 1.00 1.34 H new ATOM 0 HB2 LEU A 49 -22.815 19.167 -10.012 1.00 34.54 H new ATOM 0 HB3 LEU A 49 -21.154 18.932 -9.508 1.00 34.54 H new ATOM 0 HG LEU A 49 -22.038 20.787 -8.298 1.00 24.33 H new ATOM 0 HD11 LEU A 49 -20.525 22.608 -8.979 1.00 45.51 H new ATOM 0 HD12 LEU A 49 -19.717 21.023 -9.034 1.00 45.51 H new ATOM 0 HD13 LEU A 49 -20.260 21.798 -10.541 1.00 45.51 H new ATOM 0 HD21 LEU A 49 -22.947 22.791 -9.406 1.00 21.41 H new ATOM 0 HD22 LEU A 49 -22.778 21.989 -10.986 1.00 21.41 H new ATOM 0 HD23 LEU A 49 -23.908 21.339 -9.775 1.00 21.41 H new ATOM 445 N LEU A 50 -20.406 17.389 -11.694 1.00 45.54 N ATOM 446 CA LEU A 50 -19.338 16.409 -11.861 1.00 1.34 C ATOM 447 C LEU A 50 -18.557 16.668 -13.145 1.00 24.41 C ATOM 448 O LEU A 50 -17.341 16.477 -13.193 1.00 51.00 O ATOM 449 CB LEU A 50 -19.917 14.994 -11.878 1.00 61.54 C ATOM 450 CG LEU A 50 -20.771 14.603 -10.672 1.00 75.42 C ATOM 451 CD1 LEU A 50 -20.930 13.092 -10.597 1.00 70.04 C ATOM 452 CD2 LEU A 50 -20.158 15.141 -9.387 1.00 74.45 C ATOM 0 H LEU A 50 -21.334 16.984 -11.569 1.00 45.54 H new ATOM 0 HA LEU A 50 -18.654 16.505 -11.017 1.00 1.34 H new ATOM 0 HB2 LEU A 50 -20.522 14.881 -12.778 1.00 61.54 H new ATOM 0 HB3 LEU A 50 -19.092 14.286 -11.958 1.00 61.54 H new ATOM 0 HG LEU A 50 -21.760 15.046 -10.793 1.00 75.42 H new ATOM 0 HD11 LEU A 50 -21.541 12.833 -9.732 1.00 70.04 H new ATOM 0 HD12 LEU A 50 -21.414 12.732 -11.505 1.00 70.04 H new ATOM 0 HD13 LEU A 50 -19.949 12.627 -10.500 1.00 70.04 H new ATOM 0 HD21 LEU A 50 -20.779 14.853 -8.539 1.00 74.45 H new ATOM 0 HD22 LEU A 50 -19.157 14.728 -9.260 1.00 74.45 H new ATOM 0 HD23 LEU A 50 -20.098 16.228 -9.440 1.00 74.45 H new ATOM 464 N TYR A 51 -19.262 17.104 -14.182 1.00 42.15 N ATOM 465 CA TYR A 51 -18.634 17.389 -15.468 1.00 35.35 C ATOM 466 C TYR A 51 -17.811 18.671 -15.400 1.00 2.14 C ATOM 467 O TYR A 51 -16.671 18.715 -15.861 1.00 22.00 O ATOM 468 CB TYR A 51 -19.697 17.509 -16.562 1.00 25.13 C ATOM 469 CG TYR A 51 -19.120 17.689 -17.948 1.00 32.11 C ATOM 470 CD1 TYR A 51 -18.643 18.925 -18.368 1.00 72.51 C ATOM 471 CD2 TYR A 51 -19.053 16.624 -18.838 1.00 13.02 C ATOM 472 CE1 TYR A 51 -18.116 19.094 -19.634 1.00 13.11 C ATOM 473 CE2 TYR A 51 -18.527 16.784 -20.105 1.00 22.12 C ATOM 474 CZ TYR A 51 -18.060 18.021 -20.498 1.00 62.33 C ATOM 475 OH TYR A 51 -17.536 18.184 -21.760 1.00 41.41 O ATOM 0 H TYR A 51 -20.268 17.268 -14.158 1.00 42.15 H new ATOM 0 HA TYR A 51 -17.965 16.562 -15.709 1.00 35.35 H new ATOM 0 HB2 TYR A 51 -20.321 16.615 -16.550 1.00 25.13 H new ATOM 0 HB3 TYR A 51 -20.346 18.354 -16.335 1.00 25.13 H new ATOM 0 HD1 TYR A 51 -18.685 19.767 -17.694 1.00 72.51 H new ATOM 0 HD2 TYR A 51 -19.419 15.654 -18.534 1.00 13.02 H new ATOM 0 HE1 TYR A 51 -17.750 20.061 -19.945 1.00 13.11 H new ATOM 0 HE2 TYR A 51 -18.482 15.945 -20.784 1.00 22.12 H new ATOM 0 HH TYR A 51 -17.569 17.331 -22.241 1.00 41.41 H new ATOM 485 N ALA A 52 -18.397 19.713 -14.820 1.00 14.21 N ATOM 486 CA ALA A 52 -17.718 20.996 -14.688 1.00 54.31 C ATOM 487 C ALA A 52 -16.370 20.835 -13.995 1.00 45.04 C ATOM 488 O ALA A 52 -15.343 21.297 -14.496 1.00 55.14 O ATOM 489 CB ALA A 52 -18.592 21.980 -13.924 1.00 32.22 C ATOM 0 H ALA A 52 -19.341 19.694 -14.434 1.00 14.21 H new ATOM 0 HA ALA A 52 -17.538 21.388 -15.689 1.00 54.31 H new ATOM 0 HB1 ALA A 52 -18.072 22.934 -13.833 1.00 32.22 H new ATOM 0 HB2 ALA A 52 -19.529 22.127 -14.461 1.00 32.22 H new ATOM 0 HB3 ALA A 52 -18.802 21.585 -12.930 1.00 32.22 H new ATOM 495 N LEU A 53 -16.378 20.178 -12.841 1.00 24.10 N ATOM 496 CA LEU A 53 -15.154 19.956 -12.078 1.00 41.13 C ATOM 497 C LEU A 53 -14.209 19.019 -12.824 1.00 55.15 C ATOM 498 O LEU A 53 -12.992 19.191 -12.787 1.00 65.24 O ATOM 499 CB LEU A 53 -15.485 19.375 -10.703 1.00 12.25 C ATOM 500 CG LEU A 53 -16.578 20.098 -9.914 1.00 72.03 C ATOM 501 CD1 LEU A 53 -16.955 19.304 -8.673 1.00 72.24 C ATOM 502 CD2 LEU A 53 -16.124 21.500 -9.535 1.00 23.21 C ATOM 0 H LEU A 53 -17.218 19.789 -12.413 1.00 24.10 H new ATOM 0 HA LEU A 53 -14.656 20.917 -11.950 1.00 41.13 H new ATOM 0 HB2 LEU A 53 -15.786 18.335 -10.833 1.00 12.25 H new ATOM 0 HB3 LEU A 53 -14.575 19.371 -10.104 1.00 12.25 H new ATOM 0 HG LEU A 53 -17.461 20.183 -10.548 1.00 72.03 H new ATOM 0 HD11 LEU A 53 -17.734 19.834 -8.125 1.00 72.24 H new ATOM 0 HD12 LEU A 53 -17.323 18.321 -8.968 1.00 72.24 H new ATOM 0 HD13 LEU A 53 -16.078 19.187 -8.036 1.00 72.24 H new ATOM 0 HD21 LEU A 53 -16.914 21.999 -8.974 1.00 23.21 H new ATOM 0 HD22 LEU A 53 -15.226 21.438 -8.920 1.00 23.21 H new ATOM 0 HD23 LEU A 53 -15.906 22.069 -10.439 1.00 23.21 H new ATOM 514 N ALA A 54 -14.780 18.029 -13.503 1.00 14.10 N ATOM 515 CA ALA A 54 -13.990 17.068 -14.262 1.00 21.35 C ATOM 516 C ALA A 54 -13.217 17.755 -15.382 1.00 24.02 C ATOM 517 O ALA A 54 -11.999 17.608 -15.490 1.00 33.14 O ATOM 518 CB ALA A 54 -14.887 15.977 -14.829 1.00 0.44 C ATOM 0 H ALA A 54 -15.787 17.872 -13.543 1.00 14.10 H new ATOM 0 HA ALA A 54 -13.268 16.613 -13.584 1.00 21.35 H new ATOM 0 HB1 ALA A 54 -14.283 15.266 -15.393 1.00 0.44 H new ATOM 0 HB2 ALA A 54 -15.389 15.458 -14.013 1.00 0.44 H new ATOM 0 HB3 ALA A 54 -15.632 16.424 -15.488 1.00 0.44 H new ATOM 524 N SER A 55 -13.931 18.505 -16.214 1.00 54.32 N ATOM 525 CA SER A 55 -13.312 19.212 -17.330 1.00 34.25 C ATOM 526 C SER A 55 -12.234 20.170 -16.834 1.00 42.30 C ATOM 527 O SER A 55 -11.258 20.439 -17.534 1.00 43.30 O ATOM 528 CB SER A 55 -14.370 19.982 -18.123 1.00 2.12 C ATOM 529 OG SER A 55 -13.821 21.154 -18.700 1.00 62.24 O ATOM 0 H SER A 55 -14.939 18.639 -16.137 1.00 54.32 H new ATOM 0 HA SER A 55 -12.845 18.474 -17.983 1.00 34.25 H new ATOM 0 HB2 SER A 55 -14.778 19.344 -18.907 1.00 2.12 H new ATOM 0 HB3 SER A 55 -15.198 20.249 -17.467 1.00 2.12 H new ATOM 0 HG SER A 55 -14.516 21.628 -19.203 1.00 62.24 H new ATOM 535 N SER A 56 -12.418 20.683 -15.621 1.00 60.44 N ATOM 536 CA SER A 56 -11.464 21.614 -15.032 1.00 45.42 C ATOM 537 C SER A 56 -10.094 20.961 -14.873 1.00 11.01 C ATOM 538 O SER A 56 -9.082 21.646 -14.723 1.00 74.51 O ATOM 539 CB SER A 56 -11.969 22.104 -13.674 1.00 22.14 C ATOM 540 OG SER A 56 -11.282 23.275 -13.266 1.00 33.41 O ATOM 0 H SER A 56 -13.220 20.469 -15.028 1.00 60.44 H new ATOM 0 HA SER A 56 -11.365 22.467 -15.704 1.00 45.42 H new ATOM 0 HB2 SER A 56 -13.038 22.308 -13.732 1.00 22.14 H new ATOM 0 HB3 SER A 56 -11.834 21.321 -12.928 1.00 22.14 H new ATOM 0 HG SER A 56 -11.624 23.569 -12.396 1.00 33.41 H new ATOM 546 N GLN A 57 -10.072 19.633 -14.906 1.00 62.54 N ATOM 547 CA GLN A 57 -8.827 18.886 -14.765 1.00 52.10 C ATOM 548 C GLN A 57 -8.491 18.140 -16.052 1.00 4.10 C ATOM 549 O GLN A 57 -7.517 18.462 -16.731 1.00 63.22 O ATOM 550 CB GLN A 57 -8.929 17.899 -13.601 1.00 74.21 C ATOM 551 CG GLN A 57 -9.031 18.570 -12.241 1.00 52.20 C ATOM 552 CD GLN A 57 -7.689 19.051 -11.726 1.00 10.32 C ATOM 553 OE1 GLN A 57 -7.538 20.212 -11.344 1.00 45.21 O ATOM 554 NE2 GLN A 57 -6.706 18.159 -11.712 1.00 45.20 N ATOM 0 H GLN A 57 -10.901 19.052 -15.029 1.00 62.54 H new ATOM 0 HA GLN A 57 -8.027 19.597 -14.560 1.00 52.10 H new ATOM 0 HB2 GLN A 57 -9.802 17.264 -13.750 1.00 74.21 H new ATOM 0 HB3 GLN A 57 -8.055 17.247 -13.611 1.00 74.21 H new ATOM 0 HG2 GLN A 57 -9.715 19.416 -12.308 1.00 52.20 H new ATOM 0 HG3 GLN A 57 -9.461 17.869 -11.525 1.00 52.20 H new ATOM 0 HE21 GLN A 57 -6.876 17.208 -12.038 1.00 45.20 H new ATOM 0 HE22 GLN A 57 -5.781 18.425 -11.375 1.00 45.20 H new ATOM 563 N GLY A 58 -9.304 17.141 -16.381 1.00 62.21 N ATOM 564 CA GLY A 58 -9.075 16.364 -17.586 1.00 1.34 C ATOM 565 C GLY A 58 -10.316 16.255 -18.449 1.00 61.42 C ATOM 566 O GLY A 58 -11.407 16.643 -18.032 1.00 50.31 O ATOM 0 H GLY A 58 -10.117 16.856 -15.835 1.00 62.21 H new ATOM 0 HA2 GLY A 58 -8.273 16.823 -18.164 1.00 1.34 H new ATOM 0 HA3 GLY A 58 -8.738 15.364 -17.312 1.00 1.34 H new ATOM 570 N ASP A 59 -10.150 15.725 -19.656 1.00 44.52 N ATOM 571 CA ASP A 59 -11.265 15.566 -20.582 1.00 14.34 C ATOM 572 C ASP A 59 -12.174 14.421 -20.145 1.00 52.42 C ATOM 573 O ASP A 59 -11.707 13.413 -19.615 1.00 71.10 O ATOM 574 CB ASP A 59 -10.749 15.312 -21.998 1.00 65.04 C ATOM 575 CG ASP A 59 -9.738 16.352 -22.441 1.00 62.42 C ATOM 576 OD1 ASP A 59 -8.572 16.273 -21.999 1.00 33.41 O ATOM 577 OD2 ASP A 59 -10.112 17.244 -23.231 1.00 21.42 O ATOM 0 H ASP A 59 -9.253 15.398 -20.016 1.00 44.52 H new ATOM 0 HA ASP A 59 -11.844 16.489 -20.576 1.00 14.34 H new ATOM 0 HB2 ASP A 59 -10.292 14.323 -22.043 1.00 65.04 H new ATOM 0 HB3 ASP A 59 -11.589 15.307 -22.692 1.00 65.04 H new ATOM 582 N ILE A 60 -13.473 14.585 -20.371 1.00 14.12 N ATOM 583 CA ILE A 60 -14.447 13.565 -20.001 1.00 1.32 C ATOM 584 C ILE A 60 -15.017 12.876 -21.236 1.00 30.13 C ATOM 585 O ILE A 60 -15.382 13.531 -22.213 1.00 34.21 O ATOM 586 CB ILE A 60 -15.605 14.164 -19.180 1.00 63.32 C ATOM 587 CG1 ILE A 60 -15.062 14.908 -17.959 1.00 4.40 C ATOM 588 CG2 ILE A 60 -16.572 13.070 -18.753 1.00 60.34 C ATOM 589 CD1 ILE A 60 -14.906 16.397 -18.179 1.00 31.12 C ATOM 0 H ILE A 60 -13.875 15.414 -20.808 1.00 14.12 H new ATOM 0 HA ILE A 60 -13.920 12.832 -19.390 1.00 1.32 H new ATOM 0 HB ILE A 60 -16.144 14.876 -19.805 1.00 63.32 H new ATOM 0 HG12 ILE A 60 -15.731 14.742 -17.115 1.00 4.40 H new ATOM 0 HG13 ILE A 60 -14.095 14.486 -17.687 1.00 4.40 H new ATOM 0 HG21 ILE A 60 -17.385 13.508 -18.174 1.00 60.34 H new ATOM 0 HG22 ILE A 60 -16.980 12.580 -19.637 1.00 60.34 H new ATOM 0 HG23 ILE A 60 -16.045 12.337 -18.142 1.00 60.34 H new ATOM 0 HD11 ILE A 60 -14.517 16.860 -17.272 1.00 31.12 H new ATOM 0 HD12 ILE A 60 -14.213 16.573 -19.002 1.00 31.12 H new ATOM 0 HD13 ILE A 60 -15.875 16.833 -18.421 1.00 31.12 H new ATOM 601 N LEU A 61 -15.092 11.551 -21.185 1.00 32.43 N ATOM 602 CA LEU A 61 -15.620 10.771 -22.299 1.00 33.22 C ATOM 603 C LEU A 61 -17.074 10.380 -22.050 1.00 4.52 C ATOM 604 O LEU A 61 -17.844 10.186 -22.990 1.00 33.21 O ATOM 605 CB LEU A 61 -14.773 9.516 -22.515 1.00 71.43 C ATOM 606 CG LEU A 61 -13.266 9.682 -22.321 1.00 65.41 C ATOM 607 CD1 LEU A 61 -12.535 8.401 -22.695 1.00 40.31 C ATOM 608 CD2 LEU A 61 -12.748 10.853 -23.143 1.00 63.12 C ATOM 0 H LEU A 61 -14.794 10.994 -20.384 1.00 32.43 H new ATOM 0 HA LEU A 61 -15.578 11.390 -23.195 1.00 33.22 H new ATOM 0 HB2 LEU A 61 -15.124 8.743 -21.831 1.00 71.43 H new ATOM 0 HB3 LEU A 61 -14.951 9.152 -23.527 1.00 71.43 H new ATOM 0 HG LEU A 61 -13.076 9.891 -21.268 1.00 65.41 H new ATOM 0 HD11 LEU A 61 -11.463 8.538 -22.551 1.00 40.31 H new ATOM 0 HD12 LEU A 61 -12.885 7.585 -22.063 1.00 40.31 H new ATOM 0 HD13 LEU A 61 -12.732 8.161 -23.740 1.00 40.31 H new ATOM 0 HD21 LEU A 61 -11.673 10.956 -22.992 1.00 63.12 H new ATOM 0 HD22 LEU A 61 -12.951 10.674 -24.199 1.00 63.12 H new ATOM 0 HD23 LEU A 61 -13.248 11.769 -22.827 1.00 63.12 H new ATOM 620 N ASP A 62 -17.441 10.270 -20.778 1.00 54.01 N ATOM 621 CA ASP A 62 -18.803 9.906 -20.405 1.00 14.42 C ATOM 622 C ASP A 62 -18.952 9.840 -18.888 1.00 61.00 C ATOM 623 O ASP A 62 -18.204 9.133 -18.212 1.00 1.11 O ATOM 624 CB ASP A 62 -19.184 8.562 -21.026 1.00 65.43 C ATOM 625 CG ASP A 62 -20.421 8.655 -21.897 1.00 13.24 C ATOM 626 OD1 ASP A 62 -21.528 8.806 -21.339 1.00 32.32 O ATOM 627 OD2 ASP A 62 -20.283 8.577 -23.136 1.00 33.04 O ATOM 0 H ASP A 62 -16.815 10.428 -19.988 1.00 54.01 H new ATOM 0 HA ASP A 62 -19.475 10.676 -20.785 1.00 14.42 H new ATOM 0 HB2 ASP A 62 -18.350 8.192 -21.623 1.00 65.43 H new ATOM 0 HB3 ASP A 62 -19.356 7.835 -20.233 1.00 65.43 H new ATOM 632 N ILE A 63 -19.920 10.581 -18.360 1.00 53.15 N ATOM 633 CA ILE A 63 -20.166 10.606 -16.924 1.00 32.10 C ATOM 634 C ILE A 63 -21.430 9.830 -16.569 1.00 50.11 C ATOM 635 O ILE A 63 -22.540 10.246 -16.901 1.00 34.24 O ATOM 636 CB ILE A 63 -20.299 12.048 -16.400 1.00 44.23 C ATOM 637 CG1 ILE A 63 -19.072 12.872 -16.796 1.00 41.43 C ATOM 638 CG2 ILE A 63 -20.479 12.049 -14.890 1.00 22.24 C ATOM 639 CD1 ILE A 63 -19.106 14.293 -16.278 1.00 43.34 C ATOM 0 H ILE A 63 -20.547 11.172 -18.906 1.00 53.15 H new ATOM 0 HA ILE A 63 -19.306 10.133 -16.449 1.00 32.10 H new ATOM 0 HB ILE A 63 -21.181 12.503 -16.851 1.00 44.23 H new ATOM 0 HG12 ILE A 63 -18.176 12.378 -16.420 1.00 41.43 H new ATOM 0 HG13 ILE A 63 -18.993 12.892 -17.883 1.00 41.43 H new ATOM 0 HG21 ILE A 63 -20.571 13.076 -14.535 1.00 22.24 H new ATOM 0 HG22 ILE A 63 -21.380 11.493 -14.631 1.00 22.24 H new ATOM 0 HG23 ILE A 63 -19.615 11.579 -14.420 1.00 22.24 H new ATOM 0 HD11 ILE A 63 -18.205 14.818 -16.597 1.00 43.34 H new ATOM 0 HD12 ILE A 63 -19.983 14.804 -16.675 1.00 43.34 H new ATOM 0 HD13 ILE A 63 -19.154 14.282 -15.189 1.00 43.34 H new ATOM 651 N VAL A 64 -21.254 8.700 -15.891 1.00 3.51 N ATOM 652 CA VAL A 64 -22.380 7.867 -15.488 1.00 0.14 C ATOM 653 C VAL A 64 -22.816 8.185 -14.062 1.00 23.55 C ATOM 654 O VAL A 64 -21.989 8.488 -13.201 1.00 50.54 O ATOM 655 CB VAL A 64 -22.033 6.370 -15.585 1.00 75.55 C ATOM 656 CG1 VAL A 64 -23.207 5.519 -15.124 1.00 23.50 C ATOM 657 CG2 VAL A 64 -21.629 6.009 -17.007 1.00 21.52 C ATOM 0 H VAL A 64 -20.342 8.341 -15.609 1.00 3.51 H new ATOM 0 HA VAL A 64 -23.199 8.088 -16.173 1.00 0.14 H new ATOM 0 HB VAL A 64 -21.187 6.167 -14.928 1.00 75.55 H new ATOM 0 HG11 VAL A 64 -22.943 4.464 -15.200 1.00 23.50 H new ATOM 0 HG12 VAL A 64 -23.447 5.760 -14.088 1.00 23.50 H new ATOM 0 HG13 VAL A 64 -24.073 5.723 -15.753 1.00 23.50 H new ATOM 0 HG21 VAL A 64 -21.387 4.947 -17.058 1.00 21.52 H new ATOM 0 HG22 VAL A 64 -22.454 6.226 -17.686 1.00 21.52 H new ATOM 0 HG23 VAL A 64 -20.757 6.594 -17.297 1.00 21.52 H new ATOM 667 N VAL A 65 -24.120 8.112 -13.817 1.00 32.50 N ATOM 668 CA VAL A 65 -24.667 8.389 -12.494 1.00 42.52 C ATOM 669 C VAL A 65 -25.698 7.340 -12.094 1.00 53.52 C ATOM 670 O VAL A 65 -26.592 7.006 -12.872 1.00 31.11 O ATOM 671 CB VAL A 65 -25.320 9.783 -12.438 1.00 40.23 C ATOM 672 CG1 VAL A 65 -25.939 10.029 -11.071 1.00 22.33 C ATOM 673 CG2 VAL A 65 -24.301 10.862 -12.773 1.00 53.31 C ATOM 0 H VAL A 65 -24.818 7.863 -14.518 1.00 32.50 H new ATOM 0 HA VAL A 65 -23.832 8.358 -11.794 1.00 42.52 H new ATOM 0 HB VAL A 65 -26.115 9.822 -13.182 1.00 40.23 H new ATOM 0 HG11 VAL A 65 -26.395 11.019 -11.051 1.00 22.33 H new ATOM 0 HG12 VAL A 65 -26.701 9.274 -10.875 1.00 22.33 H new ATOM 0 HG13 VAL A 65 -25.165 9.971 -10.305 1.00 22.33 H new ATOM 0 HG21 VAL A 65 -24.779 11.840 -12.729 1.00 53.31 H new ATOM 0 HG22 VAL A 65 -23.483 10.825 -12.054 1.00 53.31 H new ATOM 0 HG23 VAL A 65 -23.910 10.694 -13.777 1.00 53.31 H new ATOM 683 N ASP A 66 -25.568 6.825 -10.877 1.00 14.43 N ATOM 684 CA ASP A 66 -26.490 5.815 -10.372 1.00 34.33 C ATOM 685 C ASP A 66 -27.910 6.368 -10.287 1.00 63.45 C ATOM 686 O ASP A 66 -28.225 7.393 -10.892 1.00 42.42 O ATOM 687 CB ASP A 66 -26.039 5.324 -8.996 1.00 24.55 C ATOM 688 CG ASP A 66 -26.246 6.364 -7.913 1.00 34.15 C ATOM 689 OD1 ASP A 66 -26.367 7.559 -8.254 1.00 33.12 O ATOM 690 OD2 ASP A 66 -26.287 5.983 -6.724 1.00 13.34 O ATOM 0 H ASP A 66 -24.833 7.090 -10.222 1.00 14.43 H new ATOM 0 HA ASP A 66 -26.487 4.976 -11.068 1.00 34.33 H new ATOM 0 HB2 ASP A 66 -26.590 4.420 -8.738 1.00 24.55 H new ATOM 0 HB3 ASP A 66 -24.984 5.053 -9.038 1.00 24.55 H new ATOM 695 N LEU A 67 -28.763 5.681 -9.535 1.00 43.21 N ATOM 696 CA LEU A 67 -30.150 6.103 -9.372 1.00 62.32 C ATOM 697 C LEU A 67 -30.313 6.968 -8.127 1.00 33.03 C ATOM 698 O LEU A 67 -31.403 7.059 -7.561 1.00 4.41 O ATOM 699 CB LEU A 67 -31.067 4.882 -9.283 1.00 53.01 C ATOM 700 CG LEU A 67 -30.600 3.757 -8.359 1.00 63.12 C ATOM 701 CD1 LEU A 67 -29.602 2.859 -9.074 1.00 73.23 C ATOM 702 CD2 LEU A 67 -29.989 4.329 -7.088 1.00 51.54 C ATOM 0 H LEU A 67 -28.519 4.830 -9.029 1.00 43.21 H new ATOM 0 HA LEU A 67 -30.429 6.697 -10.243 1.00 62.32 H new ATOM 0 HB2 LEU A 67 -32.050 5.215 -8.949 1.00 53.01 H new ATOM 0 HB3 LEU A 67 -31.192 4.473 -10.286 1.00 53.01 H new ATOM 0 HG LEU A 67 -31.467 3.156 -8.083 1.00 63.12 H new ATOM 0 HD11 LEU A 67 -29.281 2.064 -8.401 1.00 73.23 H new ATOM 0 HD12 LEU A 67 -30.072 2.421 -9.954 1.00 73.23 H new ATOM 0 HD13 LEU A 67 -28.737 3.447 -9.380 1.00 73.23 H new ATOM 0 HD21 LEU A 67 -29.662 3.514 -6.442 1.00 51.54 H new ATOM 0 HD22 LEU A 67 -29.133 4.954 -7.345 1.00 51.54 H new ATOM 0 HD23 LEU A 67 -30.733 4.930 -6.565 1.00 51.54 H new ATOM 714 N SER A 68 -29.224 7.603 -7.706 1.00 62.13 N ATOM 715 CA SER A 68 -29.246 8.460 -6.527 1.00 1.02 C ATOM 716 C SER A 68 -29.940 7.762 -5.361 1.00 51.31 C ATOM 717 O SER A 68 -30.938 8.254 -4.834 1.00 1.41 O ATOM 718 CB SER A 68 -29.955 9.779 -6.842 1.00 24.22 C ATOM 719 OG SER A 68 -31.346 9.580 -7.021 1.00 33.24 O ATOM 0 H SER A 68 -28.315 7.540 -8.164 1.00 62.13 H new ATOM 0 HA SER A 68 -28.215 8.669 -6.241 1.00 1.02 H new ATOM 0 HB2 SER A 68 -29.787 10.488 -6.031 1.00 24.22 H new ATOM 0 HB3 SER A 68 -29.528 10.219 -7.744 1.00 24.22 H new ATOM 0 HG SER A 68 -31.561 8.633 -6.889 1.00 33.24 H new ATOM 725 N ASP A 69 -29.405 6.613 -4.964 1.00 42.14 N ATOM 726 CA ASP A 69 -29.971 5.847 -3.860 1.00 60.45 C ATOM 727 C ASP A 69 -29.618 6.483 -2.520 1.00 22.23 C ATOM 728 O ASP A 69 -28.486 6.919 -2.307 1.00 73.02 O ATOM 729 CB ASP A 69 -29.467 4.403 -3.903 1.00 12.15 C ATOM 730 CG ASP A 69 -30.595 3.400 -4.041 1.00 74.03 C ATOM 731 OD1 ASP A 69 -31.591 3.718 -4.724 1.00 12.41 O ATOM 732 OD2 ASP A 69 -30.483 2.297 -3.466 1.00 61.35 O ATOM 0 H ASP A 69 -28.580 6.191 -5.390 1.00 42.14 H new ATOM 0 HA ASP A 69 -31.056 5.848 -3.967 1.00 60.45 H new ATOM 0 HB2 ASP A 69 -28.777 4.287 -4.739 1.00 12.15 H new ATOM 0 HB3 ASP A 69 -28.905 4.190 -2.994 1.00 12.15 H new ATOM 737 N ASP A 70 -30.593 6.533 -1.619 1.00 53.25 N ATOM 738 CA ASP A 70 -30.386 7.116 -0.299 1.00 2.20 C ATOM 739 C ASP A 70 -29.456 6.245 0.540 1.00 43.14 C ATOM 740 O ASP A 70 -28.989 6.660 1.600 1.00 74.22 O ATOM 741 CB ASP A 70 -31.724 7.294 0.420 1.00 72.23 C ATOM 742 CG ASP A 70 -32.467 8.534 -0.038 1.00 20.32 C ATOM 743 OD1 ASP A 70 -32.921 8.558 -1.201 1.00 24.22 O ATOM 744 OD2 ASP A 70 -32.594 9.480 0.767 1.00 40.50 O ATOM 0 H ASP A 70 -31.535 6.176 -1.779 1.00 53.25 H new ATOM 0 HA ASP A 70 -29.920 8.093 -0.430 1.00 2.20 H new ATOM 0 HB2 ASP A 70 -32.346 6.416 0.246 1.00 72.23 H new ATOM 0 HB3 ASP A 70 -31.551 7.354 1.494 1.00 72.23 H new ATOM 749 N ASN A 71 -29.191 5.035 0.057 1.00 54.31 N ATOM 750 CA ASN A 71 -28.318 4.105 0.763 1.00 32.31 C ATOM 751 C ASN A 71 -27.024 3.879 -0.012 1.00 63.31 C ATOM 752 O ASN A 71 -26.083 3.267 0.495 1.00 54.12 O ATOM 753 CB ASN A 71 -29.033 2.770 0.984 1.00 10.23 C ATOM 754 CG ASN A 71 -28.814 2.222 2.381 1.00 61.50 C ATOM 755 OD1 ASN A 71 -29.054 2.908 3.374 1.00 32.14 O ATOM 756 ND2 ASN A 71 -28.355 0.978 2.463 1.00 41.13 N ATOM 0 H ASN A 71 -29.568 4.676 -0.820 1.00 54.31 H new ATOM 0 HA ASN A 71 -28.070 4.541 1.730 1.00 32.31 H new ATOM 0 HB2 ASN A 71 -30.101 2.900 0.811 1.00 10.23 H new ATOM 0 HB3 ASN A 71 -28.677 2.045 0.252 1.00 10.23 H new ATOM 0 HD21 ASN A 71 -28.188 0.555 3.376 1.00 41.13 H new ATOM 0 HD22 ASN A 71 -28.170 0.446 1.613 1.00 41.13 H new ATOM 763 N SER A 72 -26.983 4.377 -1.244 1.00 11.04 N ATOM 764 CA SER A 72 -25.805 4.227 -2.090 1.00 75.05 C ATOM 765 C SER A 72 -25.228 5.589 -2.464 1.00 70.22 C ATOM 766 O SER A 72 -24.166 5.979 -1.981 1.00 61.04 O ATOM 767 CB SER A 72 -26.158 3.445 -3.357 1.00 54.02 C ATOM 768 OG SER A 72 -25.444 2.223 -3.417 1.00 73.54 O ATOM 0 H SER A 72 -27.752 4.888 -1.678 1.00 11.04 H new ATOM 0 HA SER A 72 -25.052 3.675 -1.528 1.00 75.05 H new ATOM 0 HB2 SER A 72 -27.229 3.245 -3.378 1.00 54.02 H new ATOM 0 HB3 SER A 72 -25.929 4.048 -4.236 1.00 54.02 H new ATOM 0 HG SER A 72 -25.688 1.741 -4.235 1.00 73.54 H new ATOM 774 N GLY A 73 -25.937 6.308 -3.329 1.00 11.42 N ATOM 775 CA GLY A 73 -25.480 7.619 -3.754 1.00 33.33 C ATOM 776 C GLY A 73 -24.053 7.598 -4.264 1.00 73.24 C ATOM 777 O GLY A 73 -23.114 7.874 -3.518 1.00 12.14 O ATOM 0 H GLY A 73 -26.819 6.007 -3.743 1.00 11.42 H new ATOM 0 HA2 GLY A 73 -26.138 7.993 -4.539 1.00 33.33 H new ATOM 0 HA3 GLY A 73 -25.554 8.315 -2.918 1.00 33.33 H new ATOM 781 N LYS A 74 -23.888 7.268 -5.541 1.00 31.53 N ATOM 782 CA LYS A 74 -22.565 7.211 -6.152 1.00 35.42 C ATOM 783 C LYS A 74 -22.637 7.551 -7.637 1.00 12.21 C ATOM 784 O LYS A 74 -23.706 7.863 -8.161 1.00 10.43 O ATOM 785 CB LYS A 74 -21.954 5.820 -5.966 1.00 34.14 C ATOM 786 CG LYS A 74 -22.864 4.690 -6.418 1.00 3.52 C ATOM 787 CD LYS A 74 -22.138 3.356 -6.416 1.00 62.44 C ATOM 788 CE LYS A 74 -22.655 2.441 -5.316 1.00 44.33 C ATOM 789 NZ LYS A 74 -22.215 1.032 -5.514 1.00 3.33 N ATOM 0 H LYS A 74 -24.654 7.036 -6.173 1.00 31.53 H new ATOM 0 HA LYS A 74 -21.932 7.948 -5.658 1.00 35.42 H new ATOM 0 HB2 LYS A 74 -21.018 5.766 -6.522 1.00 34.14 H new ATOM 0 HB3 LYS A 74 -21.708 5.678 -4.914 1.00 34.14 H new ATOM 0 HG2 LYS A 74 -23.731 4.634 -5.760 1.00 3.52 H new ATOM 0 HG3 LYS A 74 -23.237 4.901 -7.420 1.00 3.52 H new ATOM 0 HD2 LYS A 74 -22.264 2.871 -7.384 1.00 62.44 H new ATOM 0 HD3 LYS A 74 -21.069 3.522 -6.280 1.00 62.44 H new ATOM 0 HE2 LYS A 74 -22.301 2.799 -4.349 1.00 44.33 H new ATOM 0 HE3 LYS A 74 -23.744 2.481 -5.292 1.00 44.33 H new ATOM 0 HZ1 LYS A 74 -22.588 0.440 -4.744 1.00 3.33 H new ATOM 0 HZ2 LYS A 74 -22.574 0.681 -6.425 1.00 3.33 H new ATOM 0 HZ3 LYS A 74 -21.176 0.989 -5.511 1.00 3.33 H new ATOM 803 N ALA A 75 -21.493 7.487 -8.310 1.00 1.41 N ATOM 804 CA ALA A 75 -21.427 7.786 -9.735 1.00 73.42 C ATOM 805 C ALA A 75 -20.077 7.384 -10.318 1.00 43.34 C ATOM 806 O ALA A 75 -19.212 6.869 -9.609 1.00 42.25 O ATOM 807 CB ALA A 75 -21.691 9.264 -9.978 1.00 2.43 C ATOM 0 H ALA A 75 -20.599 7.231 -7.891 1.00 1.41 H new ATOM 0 HA ALA A 75 -22.199 7.204 -10.239 1.00 73.42 H new ATOM 0 HB1 ALA A 75 -21.638 9.472 -11.047 1.00 2.43 H new ATOM 0 HB2 ALA A 75 -22.683 9.522 -9.606 1.00 2.43 H new ATOM 0 HB3 ALA A 75 -20.941 9.858 -9.455 1.00 2.43 H new ATOM 813 N TYR A 76 -19.903 7.623 -11.614 1.00 23.45 N ATOM 814 CA TYR A 76 -18.658 7.283 -12.293 1.00 20.24 C ATOM 815 C TYR A 76 -18.308 8.331 -13.345 1.00 24.15 C ATOM 816 O TYR A 76 -19.125 8.660 -14.204 1.00 51.55 O ATOM 817 CB TYR A 76 -18.769 5.905 -12.947 1.00 32.30 C ATOM 818 CG TYR A 76 -19.633 4.935 -12.173 1.00 20.22 C ATOM 819 CD1 TYR A 76 -21.012 4.913 -12.343 1.00 64.43 C ATOM 820 CD2 TYR A 76 -19.070 4.040 -11.271 1.00 61.33 C ATOM 821 CE1 TYR A 76 -21.804 4.029 -11.637 1.00 75.44 C ATOM 822 CE2 TYR A 76 -19.855 3.151 -10.562 1.00 41.22 C ATOM 823 CZ TYR A 76 -21.222 3.150 -10.748 1.00 64.24 C ATOM 824 OH TYR A 76 -22.008 2.267 -10.044 1.00 62.24 O ATOM 0 H TYR A 76 -20.608 8.051 -12.214 1.00 23.45 H new ATOM 0 HA TYR A 76 -17.862 7.261 -11.549 1.00 20.24 H new ATOM 0 HB2 TYR A 76 -19.177 6.021 -13.951 1.00 32.30 H new ATOM 0 HB3 TYR A 76 -17.770 5.482 -13.056 1.00 32.30 H new ATOM 0 HD1 TYR A 76 -21.472 5.599 -13.039 1.00 64.43 H new ATOM 0 HD2 TYR A 76 -18.000 4.039 -11.122 1.00 61.33 H new ATOM 0 HE1 TYR A 76 -22.874 4.026 -11.780 1.00 75.44 H new ATOM 0 HE2 TYR A 76 -19.401 2.461 -9.866 1.00 41.22 H new ATOM 0 HH TYR A 76 -21.442 1.718 -9.462 1.00 62.24 H new ATOM 834 N ILE A 77 -17.087 8.850 -13.269 1.00 61.02 N ATOM 835 CA ILE A 77 -16.627 9.859 -14.215 1.00 43.01 C ATOM 836 C ILE A 77 -15.530 9.306 -15.119 1.00 74.21 C ATOM 837 O ILE A 77 -14.385 9.143 -14.697 1.00 15.33 O ATOM 838 CB ILE A 77 -16.096 11.110 -13.490 1.00 70.10 C ATOM 839 CG1 ILE A 77 -17.088 11.564 -12.417 1.00 72.24 C ATOM 840 CG2 ILE A 77 -15.836 12.230 -14.487 1.00 32.52 C ATOM 841 CD1 ILE A 77 -16.652 12.809 -11.679 1.00 4.44 C ATOM 0 H ILE A 77 -16.399 8.589 -12.563 1.00 61.02 H new ATOM 0 HA ILE A 77 -17.488 10.138 -14.822 1.00 43.01 H new ATOM 0 HB ILE A 77 -15.154 10.857 -13.003 1.00 70.10 H new ATOM 0 HG12 ILE A 77 -18.056 11.748 -12.883 1.00 72.24 H new ATOM 0 HG13 ILE A 77 -17.229 10.756 -11.699 1.00 72.24 H new ATOM 0 HG21 ILE A 77 -15.461 13.107 -13.959 1.00 32.52 H new ATOM 0 HG22 ILE A 77 -15.096 11.902 -15.218 1.00 32.52 H new ATOM 0 HG23 ILE A 77 -16.764 12.484 -14.999 1.00 32.52 H new ATOM 0 HD11 ILE A 77 -17.403 13.072 -10.934 1.00 4.44 H new ATOM 0 HD12 ILE A 77 -15.699 12.623 -11.184 1.00 4.44 H new ATOM 0 HD13 ILE A 77 -16.539 13.631 -12.386 1.00 4.44 H new ATOM 853 N VAL A 78 -15.888 9.019 -16.367 1.00 12.31 N ATOM 854 CA VAL A 78 -14.934 8.487 -17.333 1.00 35.03 C ATOM 855 C VAL A 78 -14.100 9.602 -17.952 1.00 65.13 C ATOM 856 O VAL A 78 -14.638 10.560 -18.507 1.00 42.13 O ATOM 857 CB VAL A 78 -15.647 7.710 -18.455 1.00 71.33 C ATOM 858 CG1 VAL A 78 -14.634 7.001 -19.341 1.00 24.44 C ATOM 859 CG2 VAL A 78 -16.641 6.718 -17.869 1.00 3.43 C ATOM 0 H VAL A 78 -16.832 9.146 -16.733 1.00 12.31 H new ATOM 0 HA VAL A 78 -14.279 7.806 -16.790 1.00 35.03 H new ATOM 0 HB VAL A 78 -16.198 8.421 -19.071 1.00 71.33 H new ATOM 0 HG11 VAL A 78 -15.157 6.457 -20.128 1.00 24.44 H new ATOM 0 HG12 VAL A 78 -13.966 7.736 -19.790 1.00 24.44 H new ATOM 0 HG13 VAL A 78 -14.053 6.301 -18.741 1.00 24.44 H new ATOM 0 HG21 VAL A 78 -17.135 6.178 -18.677 1.00 3.43 H new ATOM 0 HG22 VAL A 78 -16.114 6.010 -17.229 1.00 3.43 H new ATOM 0 HG23 VAL A 78 -17.386 7.254 -17.281 1.00 3.43 H new ATOM 869 N PHE A 79 -12.781 9.470 -17.854 1.00 42.34 N ATOM 870 CA PHE A 79 -11.870 10.467 -18.405 1.00 50.20 C ATOM 871 C PHE A 79 -11.171 9.935 -19.653 1.00 11.14 C ATOM 872 O PHE A 79 -11.388 8.794 -20.060 1.00 13.31 O ATOM 873 CB PHE A 79 -10.830 10.873 -17.358 1.00 75.31 C ATOM 874 CG PHE A 79 -11.378 11.771 -16.286 1.00 32.31 C ATOM 875 CD1 PHE A 79 -11.440 13.142 -16.477 1.00 33.41 C ATOM 876 CD2 PHE A 79 -11.830 11.244 -15.087 1.00 35.12 C ATOM 877 CE1 PHE A 79 -11.944 13.971 -15.492 1.00 71.15 C ATOM 878 CE2 PHE A 79 -12.336 12.068 -14.099 1.00 43.11 C ATOM 879 CZ PHE A 79 -12.391 13.433 -14.302 1.00 14.34 C ATOM 0 H PHE A 79 -12.319 8.683 -17.398 1.00 42.34 H new ATOM 0 HA PHE A 79 -12.456 11.343 -18.684 1.00 50.20 H new ATOM 0 HB2 PHE A 79 -10.422 9.974 -16.895 1.00 75.31 H new ATOM 0 HB3 PHE A 79 -10.003 11.378 -17.856 1.00 75.31 H new ATOM 0 HD1 PHE A 79 -11.091 13.568 -17.406 1.00 33.41 H new ATOM 0 HD2 PHE A 79 -11.787 10.178 -14.922 1.00 35.12 H new ATOM 0 HE1 PHE A 79 -11.988 15.038 -15.653 1.00 71.15 H new ATOM 0 HE2 PHE A 79 -12.688 11.645 -13.170 1.00 43.11 H new ATOM 0 HZ PHE A 79 -12.783 14.079 -13.530 1.00 14.34 H new ATOM 889 N ALA A 80 -10.331 10.771 -20.255 1.00 33.31 N ATOM 890 CA ALA A 80 -9.599 10.385 -21.455 1.00 31.02 C ATOM 891 C ALA A 80 -8.607 9.266 -21.157 1.00 33.43 C ATOM 892 O ALA A 80 -8.456 8.330 -21.943 1.00 23.11 O ATOM 893 CB ALA A 80 -8.878 11.589 -22.043 1.00 31.20 C ATOM 0 H ALA A 80 -10.141 11.719 -19.931 1.00 33.31 H new ATOM 0 HA ALA A 80 -10.318 10.013 -22.185 1.00 31.02 H new ATOM 0 HB1 ALA A 80 -8.335 11.286 -22.939 1.00 31.20 H new ATOM 0 HB2 ALA A 80 -9.606 12.358 -22.302 1.00 31.20 H new ATOM 0 HB3 ALA A 80 -8.176 11.986 -21.310 1.00 31.20 H new ATOM 899 N THR A 81 -7.932 9.367 -20.016 1.00 12.51 N ATOM 900 CA THR A 81 -6.953 8.365 -19.615 1.00 34.11 C ATOM 901 C THR A 81 -6.589 8.511 -18.142 1.00 20.41 C ATOM 902 O THR A 81 -6.911 9.517 -17.511 1.00 35.54 O ATOM 903 CB THR A 81 -5.670 8.462 -20.462 1.00 13.44 C ATOM 904 OG1 THR A 81 -5.838 9.441 -21.494 1.00 25.23 O ATOM 905 CG2 THR A 81 -5.328 7.116 -21.082 1.00 51.44 C ATOM 0 H THR A 81 -8.046 10.134 -19.353 1.00 12.51 H new ATOM 0 HA THR A 81 -7.413 7.390 -19.778 1.00 34.11 H new ATOM 0 HB THR A 81 -4.850 8.761 -19.809 1.00 13.44 H new ATOM 0 HG1 THR A 81 -5.018 9.498 -22.027 1.00 25.23 H new ATOM 0 HG21 THR A 81 -4.418 7.209 -21.675 1.00 51.44 H new ATOM 0 HG22 THR A 81 -5.172 6.381 -20.293 1.00 51.44 H new ATOM 0 HG23 THR A 81 -6.148 6.792 -21.723 1.00 51.44 H new ATOM 913 N GLN A 82 -5.915 7.501 -17.601 1.00 61.22 N ATOM 914 CA GLN A 82 -5.507 7.518 -16.201 1.00 60.14 C ATOM 915 C GLN A 82 -4.760 8.805 -15.868 1.00 13.23 C ATOM 916 O GLN A 82 -4.808 9.285 -14.736 1.00 25.24 O ATOM 917 CB GLN A 82 -4.625 6.307 -15.891 1.00 2.54 C ATOM 918 CG GLN A 82 -4.780 5.791 -14.469 1.00 64.23 C ATOM 919 CD GLN A 82 -3.450 5.465 -13.819 1.00 4.03 C ATOM 920 OE1 GLN A 82 -3.162 4.308 -13.512 1.00 74.53 O ATOM 921 NE2 GLN A 82 -2.629 6.487 -13.604 1.00 71.22 N ATOM 0 H GLN A 82 -5.640 6.661 -18.111 1.00 61.22 H new ATOM 0 HA GLN A 82 -6.405 7.471 -15.585 1.00 60.14 H new ATOM 0 HB2 GLN A 82 -4.865 5.505 -16.588 1.00 2.54 H new ATOM 0 HB3 GLN A 82 -3.582 6.574 -16.060 1.00 2.54 H new ATOM 0 HG2 GLN A 82 -5.299 6.539 -13.870 1.00 64.23 H new ATOM 0 HG3 GLN A 82 -5.405 4.898 -14.477 1.00 64.23 H new ATOM 0 HE21 GLN A 82 -2.907 7.430 -13.874 1.00 71.22 H new ATOM 0 HE22 GLN A 82 -1.720 6.328 -13.169 1.00 71.22 H new ATOM 930 N GLU A 83 -4.072 9.359 -16.861 1.00 63.31 N ATOM 931 CA GLU A 83 -3.314 10.590 -16.671 1.00 51.12 C ATOM 932 C GLU A 83 -4.212 11.705 -16.142 1.00 42.15 C ATOM 933 O GLU A 83 -3.909 12.331 -15.127 1.00 40.50 O ATOM 934 CB GLU A 83 -2.665 11.024 -17.987 1.00 61.31 C ATOM 935 CG GLU A 83 -1.441 10.205 -18.361 1.00 70.50 C ATOM 936 CD GLU A 83 -0.993 10.444 -19.790 1.00 4.44 C ATOM 937 OE1 GLU A 83 -0.547 11.572 -20.089 1.00 65.23 O ATOM 938 OE2 GLU A 83 -1.088 9.506 -20.607 1.00 61.35 O ATOM 0 H GLU A 83 -4.024 8.975 -17.805 1.00 63.31 H new ATOM 0 HA GLU A 83 -2.533 10.396 -15.936 1.00 51.12 H new ATOM 0 HB2 GLU A 83 -3.401 10.948 -18.788 1.00 61.31 H new ATOM 0 HB3 GLU A 83 -2.381 12.074 -17.913 1.00 61.31 H new ATOM 0 HG2 GLU A 83 -0.624 10.449 -17.682 1.00 70.50 H new ATOM 0 HG3 GLU A 83 -1.662 9.146 -18.226 1.00 70.50 H new ATOM 945 N SER A 84 -5.317 11.947 -16.839 1.00 54.35 N ATOM 946 CA SER A 84 -6.258 12.989 -16.444 1.00 4.33 C ATOM 947 C SER A 84 -7.045 12.569 -15.206 1.00 43.31 C ATOM 948 O SER A 84 -7.243 13.361 -14.285 1.00 22.10 O ATOM 949 CB SER A 84 -7.219 13.301 -17.592 1.00 72.01 C ATOM 950 OG SER A 84 -6.840 14.488 -18.267 1.00 64.33 O ATOM 0 H SER A 84 -5.583 11.436 -17.680 1.00 54.35 H new ATOM 0 HA SER A 84 -5.688 13.887 -16.204 1.00 4.33 H new ATOM 0 HB2 SER A 84 -7.233 12.468 -18.295 1.00 72.01 H new ATOM 0 HB3 SER A 84 -8.232 13.408 -17.204 1.00 72.01 H new ATOM 0 HG SER A 84 -7.469 14.664 -18.997 1.00 64.33 H new ATOM 956 N ALA A 85 -7.491 11.318 -15.193 1.00 70.41 N ATOM 957 CA ALA A 85 -8.255 10.791 -14.069 1.00 23.50 C ATOM 958 C ALA A 85 -7.520 11.017 -12.752 1.00 12.11 C ATOM 959 O ALA A 85 -8.074 11.587 -11.812 1.00 74.15 O ATOM 960 CB ALA A 85 -8.536 9.309 -14.271 1.00 31.15 C ATOM 0 H ALA A 85 -7.337 10.650 -15.948 1.00 70.41 H new ATOM 0 HA ALA A 85 -9.203 11.327 -14.023 1.00 23.50 H new ATOM 0 HB1 ALA A 85 -9.107 8.928 -13.424 1.00 31.15 H new ATOM 0 HB2 ALA A 85 -9.109 9.169 -15.188 1.00 31.15 H new ATOM 0 HB3 ALA A 85 -7.593 8.767 -14.346 1.00 31.15 H new ATOM 966 N GLN A 86 -6.271 10.567 -12.691 1.00 72.42 N ATOM 967 CA GLN A 86 -5.462 10.720 -11.488 1.00 32.42 C ATOM 968 C GLN A 86 -5.328 12.190 -11.105 1.00 75.20 C ATOM 969 O GLN A 86 -5.261 12.530 -9.924 1.00 52.13 O ATOM 970 CB GLN A 86 -4.076 10.107 -11.698 1.00 74.01 C ATOM 971 CG GLN A 86 -3.096 10.422 -10.580 1.00 42.21 C ATOM 972 CD GLN A 86 -2.148 9.274 -10.294 1.00 33.02 C ATOM 973 OE1 GLN A 86 -1.575 8.684 -11.210 1.00 4.21 O ATOM 974 NE2 GLN A 86 -1.979 8.950 -9.017 1.00 41.22 N ATOM 0 H GLN A 86 -5.797 10.094 -13.460 1.00 72.42 H new ATOM 0 HA GLN A 86 -5.964 10.196 -10.675 1.00 32.42 H new ATOM 0 HB2 GLN A 86 -4.176 9.025 -11.788 1.00 74.01 H new ATOM 0 HB3 GLN A 86 -3.667 10.469 -12.641 1.00 74.01 H new ATOM 0 HG2 GLN A 86 -2.519 11.307 -10.847 1.00 42.21 H new ATOM 0 HG3 GLN A 86 -3.651 10.665 -9.674 1.00 42.21 H new ATOM 0 HE21 GLN A 86 -2.474 9.466 -8.290 1.00 41.22 H new ATOM 0 HE22 GLN A 86 -1.354 8.185 -8.763 1.00 41.22 H new ATOM 983 N ALA A 87 -5.290 13.057 -12.111 1.00 51.03 N ATOM 984 CA ALA A 87 -5.166 14.491 -11.880 1.00 30.21 C ATOM 985 C ALA A 87 -6.381 15.034 -11.135 1.00 70.24 C ATOM 986 O ALA A 87 -6.245 15.780 -10.166 1.00 1.32 O ATOM 987 CB ALA A 87 -4.982 15.225 -13.200 1.00 72.51 C ATOM 0 H ALA A 87 -5.343 12.791 -13.094 1.00 51.03 H new ATOM 0 HA ALA A 87 -4.286 14.659 -11.259 1.00 30.21 H new ATOM 0 HB1 ALA A 87 -4.891 16.295 -13.012 1.00 72.51 H new ATOM 0 HB2 ALA A 87 -4.079 14.865 -13.694 1.00 72.51 H new ATOM 0 HB3 ALA A 87 -5.844 15.042 -13.842 1.00 72.51 H new ATOM 993 N PHE A 88 -7.569 14.655 -11.595 1.00 41.12 N ATOM 994 CA PHE A 88 -8.809 15.106 -10.973 1.00 64.24 C ATOM 995 C PHE A 88 -9.050 14.380 -9.653 1.00 73.54 C ATOM 996 O PHE A 88 -9.555 14.963 -8.694 1.00 42.10 O ATOM 997 CB PHE A 88 -9.990 14.877 -11.918 1.00 53.31 C ATOM 998 CG PHE A 88 -11.326 15.126 -11.278 1.00 72.11 C ATOM 999 CD1 PHE A 88 -11.971 14.120 -10.576 1.00 41.14 C ATOM 1000 CD2 PHE A 88 -11.937 16.365 -11.379 1.00 14.32 C ATOM 1001 CE1 PHE A 88 -13.200 14.346 -9.986 1.00 31.41 C ATOM 1002 CE2 PHE A 88 -13.166 16.597 -10.790 1.00 72.20 C ATOM 1003 CZ PHE A 88 -13.799 15.585 -10.094 1.00 1.41 C ATOM 0 H PHE A 88 -7.699 14.037 -12.396 1.00 41.12 H new ATOM 0 HA PHE A 88 -8.718 16.173 -10.769 1.00 64.24 H new ATOM 0 HB2 PHE A 88 -9.884 15.530 -12.784 1.00 53.31 H new ATOM 0 HB3 PHE A 88 -9.958 13.851 -12.286 1.00 53.31 H new ATOM 0 HD1 PHE A 88 -11.508 13.148 -10.489 1.00 41.14 H new ATOM 0 HD2 PHE A 88 -11.448 17.159 -11.924 1.00 14.32 H new ATOM 0 HE1 PHE A 88 -13.692 13.554 -9.441 1.00 31.41 H new ATOM 0 HE2 PHE A 88 -13.631 17.568 -10.874 1.00 72.20 H new ATOM 0 HZ PHE A 88 -14.760 15.763 -9.635 1.00 1.41 H new ATOM 1013 N VAL A 89 -8.687 13.101 -9.613 1.00 0.51 N ATOM 1014 CA VAL A 89 -8.863 12.294 -8.412 1.00 13.45 C ATOM 1015 C VAL A 89 -7.935 12.760 -7.295 1.00 51.14 C ATOM 1016 O VAL A 89 -8.323 12.797 -6.128 1.00 44.52 O ATOM 1017 CB VAL A 89 -8.601 10.803 -8.694 1.00 1.12 C ATOM 1018 CG1 VAL A 89 -8.681 9.994 -7.408 1.00 41.02 C ATOM 1019 CG2 VAL A 89 -9.585 10.276 -9.727 1.00 65.24 C ATOM 0 H VAL A 89 -8.269 12.602 -10.399 1.00 0.51 H new ATOM 0 HA VAL A 89 -9.899 12.420 -8.096 1.00 13.45 H new ATOM 0 HB VAL A 89 -7.594 10.699 -9.098 1.00 1.12 H new ATOM 0 HG11 VAL A 89 -8.493 8.943 -7.627 1.00 41.02 H new ATOM 0 HG12 VAL A 89 -7.933 10.357 -6.703 1.00 41.02 H new ATOM 0 HG13 VAL A 89 -9.674 10.102 -6.971 1.00 41.02 H new ATOM 0 HG21 VAL A 89 -9.386 9.221 -9.914 1.00 65.24 H new ATOM 0 HG22 VAL A 89 -10.602 10.392 -9.353 1.00 65.24 H new ATOM 0 HG23 VAL A 89 -9.473 10.837 -10.655 1.00 65.24 H new ATOM 1029 N GLU A 90 -6.708 13.115 -7.663 1.00 63.21 N ATOM 1030 CA GLU A 90 -5.724 13.578 -6.692 1.00 1.13 C ATOM 1031 C GLU A 90 -5.952 15.046 -6.345 1.00 1.55 C ATOM 1032 O GLU A 90 -5.576 15.506 -5.267 1.00 22.03 O ATOM 1033 CB GLU A 90 -4.307 13.385 -7.236 1.00 41.41 C ATOM 1034 CG GLU A 90 -3.891 14.448 -8.239 1.00 63.24 C ATOM 1035 CD GLU A 90 -3.062 15.551 -7.611 1.00 13.43 C ATOM 1036 OE1 GLU A 90 -3.149 15.730 -6.378 1.00 24.21 O ATOM 1037 OE2 GLU A 90 -2.327 16.237 -8.352 1.00 73.44 O ATOM 0 H GLU A 90 -6.372 13.091 -8.626 1.00 63.21 H new ATOM 0 HA GLU A 90 -5.840 12.985 -5.785 1.00 1.13 H new ATOM 0 HB2 GLU A 90 -3.604 13.388 -6.403 1.00 41.41 H new ATOM 0 HB3 GLU A 90 -4.238 12.405 -7.708 1.00 41.41 H new ATOM 0 HG2 GLU A 90 -3.319 13.981 -9.041 1.00 63.24 H new ATOM 0 HG3 GLU A 90 -4.782 14.882 -8.693 1.00 63.24 H new ATOM 1044 N ALA A 91 -6.570 15.777 -7.267 1.00 0.35 N ATOM 1045 CA ALA A 91 -6.850 17.193 -7.058 1.00 64.43 C ATOM 1046 C ALA A 91 -8.031 17.386 -6.113 1.00 63.43 C ATOM 1047 O ALA A 91 -8.139 18.410 -5.440 1.00 4.45 O ATOM 1048 CB ALA A 91 -7.119 17.879 -8.389 1.00 64.24 C ATOM 0 H ALA A 91 -6.886 15.413 -8.166 1.00 0.35 H new ATOM 0 HA ALA A 91 -5.973 17.647 -6.598 1.00 64.43 H new ATOM 0 HB1 ALA A 91 -7.327 18.935 -8.218 1.00 64.24 H new ATOM 0 HB2 ALA A 91 -6.245 17.780 -9.032 1.00 64.24 H new ATOM 0 HB3 ALA A 91 -7.979 17.414 -8.871 1.00 64.24 H new ATOM 1054 N PHE A 92 -8.915 16.395 -6.069 1.00 71.30 N ATOM 1055 CA PHE A 92 -10.090 16.457 -5.207 1.00 70.44 C ATOM 1056 C PHE A 92 -10.090 15.307 -4.204 1.00 62.10 C ATOM 1057 O PHE A 92 -11.069 15.094 -3.490 1.00 21.43 O ATOM 1058 CB PHE A 92 -11.368 16.415 -6.048 1.00 21.41 C ATOM 1059 CG PHE A 92 -11.611 17.672 -6.832 1.00 51.32 C ATOM 1060 CD1 PHE A 92 -10.849 17.964 -7.952 1.00 54.12 C ATOM 1061 CD2 PHE A 92 -12.602 18.562 -6.450 1.00 3.32 C ATOM 1062 CE1 PHE A 92 -11.071 19.121 -8.675 1.00 43.11 C ATOM 1063 CE2 PHE A 92 -12.828 19.721 -7.169 1.00 61.31 C ATOM 1064 CZ PHE A 92 -12.062 20.000 -8.284 1.00 21.12 C ATOM 0 H PHE A 92 -8.840 15.540 -6.620 1.00 71.30 H new ATOM 0 HA PHE A 92 -10.056 17.397 -4.656 1.00 70.44 H new ATOM 0 HB2 PHE A 92 -11.313 15.572 -6.737 1.00 21.41 H new ATOM 0 HB3 PHE A 92 -12.220 16.235 -5.392 1.00 21.41 H new ATOM 0 HD1 PHE A 92 -10.073 17.280 -8.263 1.00 54.12 H new ATOM 0 HD2 PHE A 92 -13.205 18.348 -5.580 1.00 3.32 H new ATOM 0 HE1 PHE A 92 -10.470 19.338 -9.546 1.00 43.11 H new ATOM 0 HE2 PHE A 92 -13.602 20.407 -6.859 1.00 61.31 H new ATOM 0 HZ PHE A 92 -12.238 20.904 -8.849 1.00 21.12 H new ATOM 1074 N GLN A 93 -8.985 14.570 -4.158 1.00 4.12 N ATOM 1075 CA GLN A 93 -8.857 13.441 -3.243 1.00 53.54 C ATOM 1076 C GLN A 93 -9.268 13.838 -1.829 1.00 75.42 C ATOM 1077 O GLN A 93 -9.803 13.024 -1.077 1.00 0.34 O ATOM 1078 CB GLN A 93 -7.420 12.919 -3.242 1.00 24.13 C ATOM 1079 CG GLN A 93 -7.107 12.003 -2.070 1.00 23.51 C ATOM 1080 CD GLN A 93 -5.693 11.456 -2.118 1.00 15.04 C ATOM 1081 OE1 GLN A 93 -4.723 12.199 -1.968 1.00 61.05 O ATOM 1082 NE2 GLN A 93 -5.570 10.150 -2.326 1.00 51.41 N ATOM 0 H GLN A 93 -8.166 14.734 -4.743 1.00 4.12 H new ATOM 0 HA GLN A 93 -9.523 12.649 -3.587 1.00 53.54 H new ATOM 0 HB2 GLN A 93 -7.237 12.381 -4.172 1.00 24.13 H new ATOM 0 HB3 GLN A 93 -6.734 13.766 -3.224 1.00 24.13 H new ATOM 0 HG2 GLN A 93 -7.249 12.550 -1.138 1.00 23.51 H new ATOM 0 HG3 GLN A 93 -7.814 11.173 -2.064 1.00 23.51 H new ATOM 0 HE21 GLN A 93 -6.402 9.572 -2.445 1.00 51.41 H new ATOM 0 HE22 GLN A 93 -4.644 9.725 -2.367 1.00 51.41 H new ATOM 1091 N GLY A 94 -9.015 15.094 -1.474 1.00 62.41 N ATOM 1092 CA GLY A 94 -9.365 15.575 -0.151 1.00 3.44 C ATOM 1093 C GLY A 94 -10.014 16.945 -0.185 1.00 73.51 C ATOM 1094 O GLY A 94 -9.606 17.852 0.540 1.00 24.32 O ATOM 0 H GLY A 94 -8.574 15.787 -2.079 1.00 62.41 H new ATOM 0 HA2 GLY A 94 -10.045 14.866 0.322 1.00 3.44 H new ATOM 0 HA3 GLY A 94 -8.468 15.617 0.466 1.00 3.44 H new ATOM 1098 N TYR A 95 -11.028 17.096 -1.031 1.00 25.44 N ATOM 1099 CA TYR A 95 -11.732 18.365 -1.160 1.00 13.51 C ATOM 1100 C TYR A 95 -13.200 18.216 -0.773 1.00 33.44 C ATOM 1101 O TYR A 95 -13.871 17.252 -1.142 1.00 32.43 O ATOM 1102 CB TYR A 95 -11.622 18.890 -2.592 1.00 52.34 C ATOM 1103 CG TYR A 95 -12.391 20.171 -2.829 1.00 21.30 C ATOM 1104 CD1 TYR A 95 -13.752 20.145 -3.107 1.00 50.35 C ATOM 1105 CD2 TYR A 95 -11.756 21.405 -2.775 1.00 53.40 C ATOM 1106 CE1 TYR A 95 -14.458 21.312 -3.325 1.00 15.50 C ATOM 1107 CE2 TYR A 95 -12.455 22.578 -2.990 1.00 20.43 C ATOM 1108 CZ TYR A 95 -13.806 22.526 -3.265 1.00 24.05 C ATOM 1109 OH TYR A 95 -14.505 23.691 -3.480 1.00 41.34 O ATOM 0 H TYR A 95 -11.380 16.355 -1.637 1.00 25.44 H new ATOM 0 HA TYR A 95 -11.267 19.080 -0.481 1.00 13.51 H new ATOM 0 HB2 TYR A 95 -10.571 19.058 -2.829 1.00 52.34 H new ATOM 0 HB3 TYR A 95 -11.985 18.126 -3.279 1.00 52.34 H new ATOM 0 HD1 TYR A 95 -14.266 19.197 -3.153 1.00 50.35 H new ATOM 0 HD2 TYR A 95 -10.698 21.449 -2.561 1.00 53.40 H new ATOM 0 HE1 TYR A 95 -15.515 21.274 -3.541 1.00 15.50 H new ATOM 0 HE2 TYR A 95 -11.947 23.530 -2.943 1.00 20.43 H new ATOM 0 HH TYR A 95 -13.898 24.456 -3.401 1.00 41.34 H new ATOM 1119 N PRO A 96 -13.713 19.193 -0.010 1.00 43.13 N ATOM 1120 CA PRO A 96 -15.107 19.195 0.444 1.00 65.24 C ATOM 1121 C PRO A 96 -16.088 19.437 -0.698 1.00 43.13 C ATOM 1122 O PRO A 96 -16.243 20.565 -1.168 1.00 31.41 O ATOM 1123 CB PRO A 96 -15.153 20.353 1.443 1.00 3.21 C ATOM 1124 CG PRO A 96 -14.049 21.261 1.022 1.00 12.10 C ATOM 1125 CD PRO A 96 -12.971 20.372 0.467 1.00 42.32 C ATOM 0 HA PRO A 96 -15.398 18.235 0.870 1.00 65.24 H new ATOM 0 HB2 PRO A 96 -16.117 20.862 1.415 1.00 3.21 H new ATOM 0 HB3 PRO A 96 -15.008 20.001 2.464 1.00 3.21 H new ATOM 0 HG2 PRO A 96 -14.393 21.972 0.271 1.00 12.10 H new ATOM 0 HG3 PRO A 96 -13.679 21.843 1.866 1.00 12.10 H new ATOM 0 HD2 PRO A 96 -12.426 20.858 -0.342 1.00 42.32 H new ATOM 0 HD3 PRO A 96 -12.239 20.105 1.229 1.00 42.32 H new ATOM 1133 N PHE A 97 -16.748 18.372 -1.141 1.00 13.23 N ATOM 1134 CA PHE A 97 -17.715 18.470 -2.228 1.00 64.54 C ATOM 1135 C PHE A 97 -19.009 17.743 -1.873 1.00 3.31 C ATOM 1136 O PHE A 97 -18.994 16.744 -1.155 1.00 63.44 O ATOM 1137 CB PHE A 97 -17.126 17.887 -3.515 1.00 74.31 C ATOM 1138 CG PHE A 97 -18.080 17.911 -4.675 1.00 53.10 C ATOM 1139 CD1 PHE A 97 -18.642 19.104 -5.102 1.00 63.43 C ATOM 1140 CD2 PHE A 97 -18.415 16.742 -5.338 1.00 72.35 C ATOM 1141 CE1 PHE A 97 -19.520 19.129 -6.169 1.00 33.41 C ATOM 1142 CE2 PHE A 97 -19.293 16.761 -6.406 1.00 61.40 C ATOM 1143 CZ PHE A 97 -19.845 17.956 -6.822 1.00 74.13 C ATOM 0 H PHE A 97 -16.631 17.431 -0.764 1.00 13.23 H new ATOM 0 HA PHE A 97 -17.943 19.524 -2.385 1.00 64.54 H new ATOM 0 HB2 PHE A 97 -16.229 18.447 -3.781 1.00 74.31 H new ATOM 0 HB3 PHE A 97 -16.817 16.858 -3.330 1.00 74.31 H new ATOM 0 HD1 PHE A 97 -18.391 20.024 -4.595 1.00 63.43 H new ATOM 0 HD2 PHE A 97 -17.985 15.805 -5.017 1.00 72.35 H new ATOM 0 HE1 PHE A 97 -19.952 20.065 -6.492 1.00 33.41 H new ATOM 0 HE2 PHE A 97 -19.547 15.842 -6.914 1.00 61.40 H new ATOM 0 HZ PHE A 97 -20.530 17.974 -7.657 1.00 74.13 H new ATOM 1153 N GLN A 98 -20.126 18.255 -2.380 1.00 23.30 N ATOM 1154 CA GLN A 98 -21.428 17.656 -2.115 1.00 35.10 C ATOM 1155 C GLN A 98 -21.644 17.462 -0.618 1.00 11.14 C ATOM 1156 O GLN A 98 -22.341 16.540 -0.195 1.00 4.42 O ATOM 1157 CB GLN A 98 -21.553 16.314 -2.838 1.00 70.21 C ATOM 1158 CG GLN A 98 -21.901 16.447 -4.312 1.00 32.21 C ATOM 1159 CD GLN A 98 -23.370 16.746 -4.540 1.00 22.20 C ATOM 1160 OE1 GLN A 98 -23.723 17.773 -5.119 1.00 54.32 O ATOM 1161 NE2 GLN A 98 -24.235 15.847 -4.085 1.00 1.14 N ATOM 0 H GLN A 98 -20.155 19.082 -2.976 1.00 23.30 H new ATOM 0 HA GLN A 98 -22.194 18.335 -2.489 1.00 35.10 H new ATOM 0 HB2 GLN A 98 -20.613 15.771 -2.743 1.00 70.21 H new ATOM 0 HB3 GLN A 98 -22.319 15.715 -2.345 1.00 70.21 H new ATOM 0 HG2 GLN A 98 -21.300 17.242 -4.753 1.00 32.21 H new ATOM 0 HG3 GLN A 98 -21.638 15.524 -4.828 1.00 32.21 H new ATOM 0 HE21 GLN A 98 -23.898 15.009 -3.611 1.00 1.14 H new ATOM 0 HE22 GLN A 98 -25.237 15.994 -4.210 1.00 1.14 H new ATOM 1170 N GLY A 99 -21.041 18.338 0.181 1.00 63.24 N ATOM 1171 CA GLY A 99 -21.179 18.245 1.622 1.00 4.03 C ATOM 1172 C GLY A 99 -19.853 18.396 2.342 1.00 14.44 C ATOM 1173 O GLY A 99 -19.623 19.390 3.030 1.00 34.15 O ATOM 0 H GLY A 99 -20.460 19.110 -0.145 1.00 63.24 H new ATOM 0 HA2 GLY A 99 -21.867 19.016 1.969 1.00 4.03 H new ATOM 0 HA3 GLY A 99 -21.622 17.283 1.880 1.00 4.03 H new ATOM 1177 N ASN A 100 -18.980 17.407 2.185 1.00 1.03 N ATOM 1178 CA ASN A 100 -17.671 17.434 2.828 1.00 31.42 C ATOM 1179 C ASN A 100 -16.876 16.175 2.495 1.00 21.14 C ATOM 1180 O ASN A 100 -15.799 16.230 1.901 1.00 20.13 O ATOM 1181 CB ASN A 100 -17.827 17.566 4.344 1.00 32.24 C ATOM 1182 CG ASN A 100 -17.364 18.915 4.858 1.00 44.31 C ATOM 1183 OD1 ASN A 100 -16.355 19.453 4.401 1.00 62.25 O ATOM 1184 ND2 ASN A 100 -18.100 19.469 5.814 1.00 53.42 N ATOM 0 H ASN A 100 -19.155 16.577 1.618 1.00 1.03 H new ATOM 0 HA ASN A 100 -17.125 18.298 2.449 1.00 31.42 H new ATOM 0 HB2 ASN A 100 -18.873 17.417 4.613 1.00 32.24 H new ATOM 0 HB3 ASN A 100 -17.256 16.778 4.835 1.00 32.24 H new ATOM 0 HD21 ASN A 100 -17.837 20.376 6.199 1.00 53.42 H new ATOM 0 HD22 ASN A 100 -18.929 18.988 6.163 1.00 53.42 H new ATOM 1191 N PRO A 101 -17.418 15.012 2.886 1.00 20.13 N ATOM 1192 CA PRO A 101 -16.777 13.717 2.639 1.00 2.04 C ATOM 1193 C PRO A 101 -16.786 13.338 1.163 1.00 75.45 C ATOM 1194 O PRO A 101 -17.747 12.745 0.669 1.00 14.44 O ATOM 1195 CB PRO A 101 -17.631 12.738 3.449 1.00 52.14 C ATOM 1196 CG PRO A 101 -18.966 13.393 3.548 1.00 62.42 C ATOM 1197 CD PRO A 101 -18.699 14.872 3.599 1.00 21.41 C ATOM 0 HA PRO A 101 -15.725 13.722 2.924 1.00 2.04 H new ATOM 0 HB2 PRO A 101 -17.701 11.770 2.954 1.00 52.14 H new ATOM 0 HB3 PRO A 101 -17.203 12.561 4.436 1.00 52.14 H new ATOM 0 HG2 PRO A 101 -19.590 13.138 2.691 1.00 62.42 H new ATOM 0 HG3 PRO A 101 -19.498 13.062 4.440 1.00 62.42 H new ATOM 0 HD2 PRO A 101 -19.493 15.441 3.115 1.00 21.41 H new ATOM 0 HD3 PRO A 101 -18.629 15.233 4.625 1.00 21.41 H new ATOM 1205 N LEU A 102 -15.712 13.682 0.461 1.00 20.52 N ATOM 1206 CA LEU A 102 -15.596 13.376 -0.961 1.00 14.23 C ATOM 1207 C LEU A 102 -14.555 12.287 -1.201 1.00 15.50 C ATOM 1208 O LEU A 102 -13.436 12.361 -0.693 1.00 75.21 O ATOM 1209 CB LEU A 102 -15.224 14.636 -1.744 1.00 63.03 C ATOM 1210 CG LEU A 102 -15.078 14.467 -3.257 1.00 21.10 C ATOM 1211 CD1 LEU A 102 -16.408 14.074 -3.881 1.00 11.21 C ATOM 1212 CD2 LEU A 102 -14.548 15.746 -3.888 1.00 2.20 C ATOM 0 H LEU A 102 -14.909 14.173 0.853 1.00 20.52 H new ATOM 0 HA LEU A 102 -16.562 13.011 -1.310 1.00 14.23 H new ATOM 0 HB2 LEU A 102 -15.983 15.395 -1.555 1.00 63.03 H new ATOM 0 HB3 LEU A 102 -14.284 15.021 -1.349 1.00 63.03 H new ATOM 0 HG LEU A 102 -14.361 13.668 -3.446 1.00 21.10 H new ATOM 0 HD11 LEU A 102 -16.285 13.958 -4.958 1.00 11.21 H new ATOM 0 HD12 LEU A 102 -16.747 13.131 -3.451 1.00 11.21 H new ATOM 0 HD13 LEU A 102 -17.147 14.850 -3.682 1.00 11.21 H new ATOM 0 HD21 LEU A 102 -14.451 15.607 -4.965 1.00 2.20 H new ATOM 0 HD22 LEU A 102 -15.240 16.564 -3.689 1.00 2.20 H new ATOM 0 HD23 LEU A 102 -13.573 15.984 -3.463 1.00 2.20 H new ATOM 1224 N VAL A 103 -14.931 11.278 -1.981 1.00 11.44 N ATOM 1225 CA VAL A 103 -14.029 10.176 -2.292 1.00 33.25 C ATOM 1226 C VAL A 103 -13.919 9.964 -3.797 1.00 74.32 C ATOM 1227 O VAL A 103 -14.927 9.920 -4.503 1.00 53.42 O ATOM 1228 CB VAL A 103 -14.497 8.865 -1.632 1.00 74.12 C ATOM 1229 CG1 VAL A 103 -15.846 8.438 -2.191 1.00 60.33 C ATOM 1230 CG2 VAL A 103 -13.459 7.770 -1.828 1.00 11.44 C ATOM 0 H VAL A 103 -15.854 11.201 -2.409 1.00 11.44 H new ATOM 0 HA VAL A 103 -13.051 10.445 -1.894 1.00 33.25 H new ATOM 0 HB VAL A 103 -14.612 9.038 -0.562 1.00 74.12 H new ATOM 0 HG11 VAL A 103 -16.161 7.510 -1.713 1.00 60.33 H new ATOM 0 HG12 VAL A 103 -16.584 9.216 -1.994 1.00 60.33 H new ATOM 0 HG13 VAL A 103 -15.761 8.282 -3.266 1.00 60.33 H new ATOM 0 HG21 VAL A 103 -13.806 6.851 -1.355 1.00 11.44 H new ATOM 0 HG22 VAL A 103 -13.310 7.596 -2.894 1.00 11.44 H new ATOM 0 HG23 VAL A 103 -12.516 8.077 -1.375 1.00 11.44 H new ATOM 1240 N ILE A 104 -12.689 9.831 -4.282 1.00 54.52 N ATOM 1241 CA ILE A 104 -12.448 9.622 -5.704 1.00 51.03 C ATOM 1242 C ILE A 104 -11.413 8.525 -5.931 1.00 34.14 C ATOM 1243 O ILE A 104 -10.287 8.607 -5.439 1.00 71.42 O ATOM 1244 CB ILE A 104 -11.968 10.915 -6.390 1.00 64.42 C ATOM 1245 CG1 ILE A 104 -11.286 11.834 -5.374 1.00 72.24 C ATOM 1246 CG2 ILE A 104 -13.135 11.626 -7.057 1.00 15.23 C ATOM 1247 CD1 ILE A 104 -12.250 12.730 -4.629 1.00 21.03 C ATOM 0 H ILE A 104 -11.844 9.864 -3.711 1.00 54.52 H new ATOM 0 HA ILE A 104 -13.398 9.318 -6.144 1.00 51.03 H new ATOM 0 HB ILE A 104 -11.242 10.653 -7.159 1.00 64.42 H new ATOM 0 HG12 ILE A 104 -10.739 11.225 -4.655 1.00 72.24 H new ATOM 0 HG13 ILE A 104 -10.552 12.453 -5.891 1.00 72.24 H new ATOM 0 HG21 ILE A 104 -12.779 12.538 -7.537 1.00 15.23 H new ATOM 0 HG22 ILE A 104 -13.580 10.971 -7.806 1.00 15.23 H new ATOM 0 HG23 ILE A 104 -13.884 11.880 -6.306 1.00 15.23 H new ATOM 0 HD11 ILE A 104 -11.698 13.354 -3.926 1.00 21.03 H new ATOM 0 HD12 ILE A 104 -12.779 13.365 -5.339 1.00 21.03 H new ATOM 0 HD13 ILE A 104 -12.969 12.118 -4.084 1.00 21.03 H new ATOM 1259 N THR A 105 -11.802 7.498 -6.680 1.00 30.32 N ATOM 1260 CA THR A 105 -10.909 6.384 -6.973 1.00 3.04 C ATOM 1261 C THR A 105 -10.985 5.990 -8.443 1.00 60.11 C ATOM 1262 O THR A 105 -11.931 6.349 -9.144 1.00 73.02 O ATOM 1263 CB THR A 105 -11.241 5.155 -6.106 1.00 25.15 C ATOM 1264 OG1 THR A 105 -12.590 4.738 -6.343 1.00 24.40 O ATOM 1265 CG2 THR A 105 -11.054 5.468 -4.629 1.00 3.13 C ATOM 0 H THR A 105 -12.730 7.415 -7.095 1.00 30.32 H new ATOM 0 HA THR A 105 -9.898 6.720 -6.742 1.00 3.04 H new ATOM 0 HB THR A 105 -10.559 4.350 -6.380 1.00 25.15 H new ATOM 0 HG1 THR A 105 -13.106 5.489 -6.703 1.00 24.40 H new ATOM 0 HG21 THR A 105 -11.294 4.585 -4.037 1.00 3.13 H new ATOM 0 HG22 THR A 105 -10.019 5.757 -4.446 1.00 3.13 H new ATOM 0 HG23 THR A 105 -11.715 6.287 -4.344 1.00 3.13 H new ATOM 1273 N PHE A 106 -9.983 5.249 -8.905 1.00 32.20 N ATOM 1274 CA PHE A 106 -9.937 4.806 -10.294 1.00 30.24 C ATOM 1275 C PHE A 106 -10.803 3.566 -10.498 1.00 42.10 C ATOM 1276 O PHE A 106 -10.953 3.079 -11.618 1.00 60.53 O ATOM 1277 CB PHE A 106 -8.495 4.508 -10.708 1.00 44.55 C ATOM 1278 CG PHE A 106 -7.545 5.638 -10.427 1.00 60.30 C ATOM 1279 CD1 PHE A 106 -7.013 5.814 -9.160 1.00 33.43 C ATOM 1280 CD2 PHE A 106 -7.184 6.523 -11.430 1.00 24.21 C ATOM 1281 CE1 PHE A 106 -6.140 6.852 -8.898 1.00 0.40 C ATOM 1282 CE2 PHE A 106 -6.310 7.563 -11.174 1.00 53.22 C ATOM 1283 CZ PHE A 106 -5.787 7.727 -9.907 1.00 11.53 C ATOM 0 H PHE A 106 -9.192 4.943 -8.338 1.00 32.20 H new ATOM 0 HA PHE A 106 -10.329 5.608 -10.919 1.00 30.24 H new ATOM 0 HB2 PHE A 106 -8.152 3.616 -10.184 1.00 44.55 H new ATOM 0 HB3 PHE A 106 -8.471 4.280 -11.774 1.00 44.55 H new ATOM 0 HD1 PHE A 106 -7.284 5.132 -8.368 1.00 33.43 H new ATOM 0 HD2 PHE A 106 -7.590 6.399 -12.423 1.00 24.21 H new ATOM 0 HE1 PHE A 106 -5.734 6.979 -7.905 1.00 0.40 H new ATOM 0 HE2 PHE A 106 -6.037 8.246 -11.964 1.00 53.22 H new ATOM 0 HZ PHE A 106 -5.103 8.538 -9.705 1.00 11.53 H new ATOM 1293 N SER A 107 -11.370 3.061 -9.407 1.00 24.10 N ATOM 1294 CA SER A 107 -12.217 1.876 -9.465 1.00 22.53 C ATOM 1295 C SER A 107 -11.408 0.649 -9.878 1.00 12.44 C ATOM 1296 O SER A 107 -10.181 0.699 -9.953 1.00 51.30 O ATOM 1297 CB SER A 107 -13.370 2.094 -10.446 1.00 41.21 C ATOM 1298 OG SER A 107 -14.497 1.311 -10.092 1.00 3.45 O ATOM 0 H SER A 107 -11.258 3.454 -8.472 1.00 24.10 H new ATOM 0 HA SER A 107 -12.625 1.703 -8.469 1.00 22.53 H new ATOM 0 HB2 SER A 107 -13.646 3.148 -10.459 1.00 41.21 H new ATOM 0 HB3 SER A 107 -13.047 1.836 -11.455 1.00 41.21 H new ATOM 0 HG SER A 107 -15.220 1.470 -10.734 1.00 3.45 H new ATOM 1304 N GLU A 108 -12.107 -0.450 -10.144 1.00 25.14 N ATOM 1305 CA GLU A 108 -11.454 -1.690 -10.548 1.00 44.30 C ATOM 1306 C GLU A 108 -11.700 -1.977 -12.026 1.00 71.23 C ATOM 1307 O GLU A 108 -12.843 -2.122 -12.461 1.00 32.22 O ATOM 1308 CB GLU A 108 -11.958 -2.858 -9.699 1.00 20.32 C ATOM 1309 CG GLU A 108 -11.633 -2.721 -8.221 1.00 34.32 C ATOM 1310 CD GLU A 108 -11.032 -3.984 -7.636 1.00 65.42 C ATOM 1311 OE1 GLU A 108 -9.795 -4.140 -7.705 1.00 5.31 O ATOM 1312 OE2 GLU A 108 -11.799 -4.818 -7.109 1.00 44.54 O ATOM 0 H GLU A 108 -13.124 -0.507 -10.087 1.00 25.14 H new ATOM 0 HA GLU A 108 -10.382 -1.574 -10.392 1.00 44.30 H new ATOM 0 HB2 GLU A 108 -13.038 -2.943 -9.818 1.00 20.32 H new ATOM 0 HB3 GLU A 108 -11.522 -3.784 -10.074 1.00 20.32 H new ATOM 0 HG2 GLU A 108 -10.937 -1.894 -8.081 1.00 34.32 H new ATOM 0 HG3 GLU A 108 -12.542 -2.469 -7.675 1.00 34.32 H new ATOM 1319 N THR A 109 -10.619 -2.058 -12.796 1.00 1.02 N ATOM 1320 CA THR A 109 -10.716 -2.326 -14.225 1.00 33.10 C ATOM 1321 C THR A 109 -9.984 -3.611 -14.595 1.00 4.25 C ATOM 1322 O THR A 109 -8.912 -3.590 -15.200 1.00 61.43 O ATOM 1323 CB THR A 109 -10.141 -1.163 -15.055 1.00 62.32 C ATOM 1324 OG1 THR A 109 -8.873 -0.763 -14.524 1.00 43.31 O ATOM 1325 CG2 THR A 109 -11.093 0.023 -15.058 1.00 1.15 C ATOM 0 H THR A 109 -9.666 -1.942 -12.453 1.00 1.02 H new ATOM 0 HA THR A 109 -11.776 -2.437 -14.454 1.00 33.10 H new ATOM 0 HB THR A 109 -10.013 -1.507 -16.081 1.00 62.32 H new ATOM 0 HG1 THR A 109 -8.977 0.072 -14.022 1.00 43.31 H new ATOM 0 HG21 THR A 109 -10.665 0.832 -15.651 1.00 1.15 H new ATOM 0 HG22 THR A 109 -12.047 -0.278 -15.490 1.00 1.15 H new ATOM 0 HG23 THR A 109 -11.250 0.366 -14.035 1.00 1.15 H new ATOM 1333 N PRO A 110 -10.573 -4.757 -14.223 1.00 50.12 N ATOM 1334 CA PRO A 110 -9.994 -6.073 -14.507 1.00 25.22 C ATOM 1335 C PRO A 110 -10.037 -6.418 -15.992 1.00 3.15 C ATOM 1336 O PRO A 110 -10.458 -5.605 -16.814 1.00 21.10 O ATOM 1337 CB PRO A 110 -10.882 -7.031 -13.709 1.00 71.24 C ATOM 1338 CG PRO A 110 -12.185 -6.320 -13.579 1.00 63.13 C ATOM 1339 CD PRO A 110 -11.851 -4.856 -13.498 1.00 60.13 C ATOM 0 HA PRO A 110 -8.940 -6.121 -14.235 1.00 25.22 H new ATOM 0 HB2 PRO A 110 -11.001 -7.984 -14.225 1.00 71.24 H new ATOM 0 HB3 PRO A 110 -10.451 -7.249 -12.732 1.00 71.24 H new ATOM 0 HG2 PRO A 110 -12.829 -6.527 -14.434 1.00 63.13 H new ATOM 0 HG3 PRO A 110 -12.721 -6.648 -12.689 1.00 63.13 H new ATOM 0 HD2 PRO A 110 -12.624 -4.241 -13.960 1.00 60.13 H new ATOM 0 HD3 PRO A 110 -11.754 -4.523 -12.465 1.00 60.13 H new ATOM 1347 N GLN A 111 -9.599 -7.627 -16.327 1.00 20.35 N ATOM 1348 CA GLN A 111 -9.588 -8.078 -17.713 1.00 60.21 C ATOM 1349 C GLN A 111 -9.857 -9.577 -17.800 1.00 54.24 C ATOM 1350 O GLN A 111 -9.435 -10.239 -18.748 1.00 23.32 O ATOM 1351 CB GLN A 111 -8.245 -7.751 -18.367 1.00 43.44 C ATOM 1352 CG GLN A 111 -8.372 -6.931 -19.641 1.00 54.13 C ATOM 1353 CD GLN A 111 -7.534 -5.668 -19.609 1.00 60.32 C ATOM 1354 OE1 GLN A 111 -6.310 -5.725 -19.487 1.00 40.12 O ATOM 1355 NE2 GLN A 111 -8.190 -4.519 -19.719 1.00 42.11 N ATOM 0 H GLN A 111 -9.247 -8.312 -15.658 1.00 20.35 H new ATOM 0 HA GLN A 111 -10.381 -7.553 -18.246 1.00 60.21 H new ATOM 0 HB2 GLN A 111 -7.626 -7.206 -17.654 1.00 43.44 H new ATOM 0 HB3 GLN A 111 -7.725 -8.682 -18.594 1.00 43.44 H new ATOM 0 HG2 GLN A 111 -8.070 -7.541 -20.493 1.00 54.13 H new ATOM 0 HG3 GLN A 111 -9.418 -6.665 -19.794 1.00 54.13 H new ATOM 0 HE21 GLN A 111 -9.205 -4.519 -19.818 1.00 42.11 H new ATOM 0 HE22 GLN A 111 -7.679 -3.636 -19.704 1.00 42.11 H new ATOM 1364 N SER A 112 -10.563 -10.105 -16.806 1.00 33.14 N ATOM 1365 CA SER A 112 -10.886 -11.527 -16.768 1.00 4.31 C ATOM 1366 C SER A 112 -12.242 -11.793 -17.413 1.00 32.50 C ATOM 1367 O SER A 112 -12.490 -12.881 -17.934 1.00 1.40 O ATOM 1368 CB SER A 112 -10.886 -12.033 -15.324 1.00 73.02 C ATOM 1369 OG SER A 112 -12.207 -12.149 -14.825 1.00 75.11 O ATOM 0 H SER A 112 -10.923 -9.570 -16.016 1.00 33.14 H new ATOM 0 HA SER A 112 -10.124 -12.063 -17.333 1.00 4.31 H new ATOM 0 HB2 SER A 112 -10.389 -13.002 -15.275 1.00 73.02 H new ATOM 0 HB3 SER A 112 -10.315 -11.349 -14.696 1.00 73.02 H new ATOM 0 HG SER A 112 -12.180 -12.476 -13.901 1.00 75.11 H new ATOM 1375 N GLN A 113 -13.116 -10.793 -17.373 1.00 52.03 N ATOM 1376 CA GLN A 113 -14.448 -10.919 -17.953 1.00 71.41 C ATOM 1377 C GLN A 113 -14.457 -10.449 -19.404 1.00 31.02 C ATOM 1378 O GLN A 113 -15.517 -10.301 -20.013 1.00 2.13 O ATOM 1379 CB GLN A 113 -15.461 -10.114 -17.137 1.00 60.22 C ATOM 1380 CG GLN A 113 -15.266 -8.610 -17.239 1.00 73.12 C ATOM 1381 CD GLN A 113 -16.075 -7.846 -16.210 1.00 1.24 C ATOM 1382 OE1 GLN A 113 -16.380 -8.363 -15.134 1.00 44.43 O ATOM 1383 NE2 GLN A 113 -16.427 -6.607 -16.534 1.00 33.23 N ATOM 0 H GLN A 113 -12.926 -9.887 -16.945 1.00 52.03 H new ATOM 0 HA GLN A 113 -14.729 -11.972 -17.930 1.00 71.41 H new ATOM 0 HB2 GLN A 113 -16.467 -10.365 -17.473 1.00 60.22 H new ATOM 0 HB3 GLN A 113 -15.390 -10.411 -16.091 1.00 60.22 H new ATOM 0 HG2 GLN A 113 -14.209 -8.375 -17.112 1.00 73.12 H new ATOM 0 HG3 GLN A 113 -15.549 -8.278 -18.238 1.00 73.12 H new ATOM 0 HE21 GLN A 113 -16.153 -6.218 -17.436 1.00 33.23 H new ATOM 0 HE22 GLN A 113 -16.971 -6.044 -15.880 1.00 33.23 H new ATOM 1392 N VAL A 114 -13.269 -10.215 -19.952 1.00 71.24 N ATOM 1393 CA VAL A 114 -13.140 -9.762 -21.332 1.00 70.13 C ATOM 1394 C VAL A 114 -13.742 -10.773 -22.301 1.00 74.33 C ATOM 1395 O VAL A 114 -13.849 -11.959 -21.990 1.00 72.00 O ATOM 1396 CB VAL A 114 -11.666 -9.522 -21.709 1.00 21.14 C ATOM 1397 CG1 VAL A 114 -11.087 -8.375 -20.895 1.00 23.15 C ATOM 1398 CG2 VAL A 114 -10.852 -10.792 -21.510 1.00 11.11 C ATOM 0 H VAL A 114 -12.382 -10.332 -19.462 1.00 71.24 H new ATOM 0 HA VAL A 114 -13.685 -8.821 -21.408 1.00 70.13 H new ATOM 0 HB VAL A 114 -11.618 -9.248 -22.763 1.00 21.14 H new ATOM 0 HG11 VAL A 114 -10.045 -8.220 -21.175 1.00 23.15 H new ATOM 0 HG12 VAL A 114 -11.655 -7.466 -21.092 1.00 23.15 H new ATOM 0 HG13 VAL A 114 -11.146 -8.616 -19.834 1.00 23.15 H new ATOM 0 HG21 VAL A 114 -9.813 -10.604 -21.781 1.00 11.11 H new ATOM 0 HG22 VAL A 114 -10.905 -11.098 -20.465 1.00 11.11 H new ATOM 0 HG23 VAL A 114 -11.254 -11.585 -22.141 1.00 11.11 H new ATOM 1408 N ALA A 115 -14.134 -10.296 -23.478 1.00 53.10 N ATOM 1409 CA ALA A 115 -14.724 -11.159 -24.494 1.00 43.44 C ATOM 1410 C ALA A 115 -13.829 -12.359 -24.782 1.00 23.23 C ATOM 1411 O ALA A 115 -14.304 -13.490 -24.878 1.00 13.01 O ATOM 1412 CB ALA A 115 -14.980 -10.371 -25.771 1.00 20.31 C ATOM 0 H ALA A 115 -14.054 -9.317 -23.751 1.00 53.10 H new ATOM 0 HA ALA A 115 -15.675 -11.531 -24.112 1.00 43.44 H new ATOM 0 HB1 ALA A 115 -15.421 -11.027 -26.521 1.00 20.31 H new ATOM 0 HB2 ALA A 115 -15.665 -9.549 -25.560 1.00 20.31 H new ATOM 0 HB3 ALA A 115 -14.038 -9.971 -26.147 1.00 20.31 H new ATOM 1418 N GLU A 116 -12.531 -12.105 -24.918 1.00 60.04 N ATOM 1419 CA GLU A 116 -11.570 -13.166 -25.197 1.00 35.35 C ATOM 1420 C GLU A 116 -11.677 -14.282 -24.161 1.00 14.01 C ATOM 1421 O GLU A 116 -11.410 -15.447 -24.458 1.00 12.44 O ATOM 1422 CB GLU A 116 -10.147 -12.605 -25.213 1.00 31.14 C ATOM 1423 CG GLU A 116 -9.165 -13.459 -25.996 1.00 62.50 C ATOM 1424 CD GLU A 116 -8.751 -14.710 -25.245 1.00 1.12 C ATOM 1425 OE1 GLU A 116 -8.131 -14.577 -24.168 1.00 54.25 O ATOM 1426 OE2 GLU A 116 -9.046 -15.821 -25.733 1.00 1.24 O ATOM 0 H GLU A 116 -12.121 -11.174 -24.840 1.00 60.04 H new ATOM 0 HA GLU A 116 -11.800 -13.581 -26.178 1.00 35.35 H new ATOM 0 HB2 GLU A 116 -10.165 -11.603 -25.641 1.00 31.14 H new ATOM 0 HB3 GLU A 116 -9.793 -12.507 -24.187 1.00 31.14 H new ATOM 0 HG2 GLU A 116 -9.615 -13.743 -26.947 1.00 62.50 H new ATOM 0 HG3 GLU A 116 -8.279 -12.868 -26.226 1.00 62.50 H new ATOM 1433 N ASP A 117 -12.069 -13.917 -22.945 1.00 40.22 N ATOM 1434 CA ASP A 117 -12.212 -14.886 -21.865 1.00 0.23 C ATOM 1435 C ASP A 117 -10.906 -15.639 -21.634 1.00 5.33 C ATOM 1436 O ASP A 117 -9.894 -15.045 -21.258 1.00 23.22 O ATOM 1437 CB ASP A 117 -13.335 -15.874 -22.183 1.00 13.15 C ATOM 1438 CG ASP A 117 -13.507 -16.923 -21.101 1.00 51.52 C ATOM 1439 OD1 ASP A 117 -13.500 -16.551 -19.909 1.00 60.40 O ATOM 1440 OD2 ASP A 117 -13.648 -18.114 -21.447 1.00 22.50 O ATOM 0 H ASP A 117 -12.293 -12.957 -22.683 1.00 40.22 H new ATOM 0 HA ASP A 117 -12.463 -14.343 -20.954 1.00 0.23 H new ATOM 0 HB2 ASP A 117 -14.270 -15.328 -22.308 1.00 13.15 H new ATOM 0 HB3 ASP A 117 -13.124 -16.366 -23.132 1.00 13.15 H new TER 1445 ASP A 117