USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 766 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 89 HIS : no HD1:sc= -0.114 K(o=-0.84,f=-2.7) USER MOD Set 1.2: A 93 SER OG : rot -96:sc= -0.731 USER MOD Set 2.1: A 48 THR OG1 : rot 118:sc= 0.118 USER MOD Set 2.2: A 82 SER OG : rot -179:sc= 0.118 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0535 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 27:sc= 0.16 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 27 SER OG : rot 31:sc= 1.11 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.219 K(o=0.22,f=-2.4!) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0554) USER MOD Single : A 39 ASN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 40 SER OG : rot -118:sc= -0.93 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -105:sc= -4.98! (180deg=-5.53!) USER MOD Single : A 44 SER OG : rot 48:sc= 0.0016 USER MOD Single : A 46 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-5.9!) USER MOD Single : A 49 SER OG : rot 85:sc= 0.0955 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0181) USER MOD Single : A 65 ASN : amide:sc= -3.64 X(o=-3.6,f=-4!) USER MOD Single : A 66 SER OG : rot -179:sc= -1.12 USER MOD Single : A 67 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1.3) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.775 USER MOD Single : A 74 GLN : amide:sc= -2.62! C(o=-2.6!,f=-2.9!) USER MOD Single : A 76 MET CE :methyl -144:sc= 0 (180deg=-0.0905) USER MOD Single : A 79 HIS : no HD1:sc= -7.32! C(o=-7.3!,f=-8.4!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.114 K(o=-0.11,f=-2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.129 -8.182 15.731 1.00 0.00 N ATOM 2 CA GLY A 1 22.255 -9.628 15.753 1.00 0.00 C ATOM 3 C GLY A 1 23.253 -10.138 14.733 1.00 0.00 C ATOM 4 O GLY A 1 22.926 -10.290 13.556 1.00 0.00 O ATOM 0 H1 GLY A 1 21.435 -7.883 16.446 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.051 -7.750 15.941 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.810 -7.876 14.790 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.562 -9.948 16.749 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.281 -10.078 15.560 1.00 0.00 H new ATOM 8 N SER A 2 24.476 -10.401 15.184 1.00 0.00 N ATOM 9 CA SER A 2 25.527 -10.892 14.301 1.00 0.00 C ATOM 10 C SER A 2 26.122 -12.191 14.835 1.00 0.00 C ATOM 11 O SER A 2 26.517 -12.275 15.998 1.00 0.00 O ATOM 12 CB SER A 2 26.627 -9.839 14.148 1.00 0.00 C ATOM 13 OG SER A 2 26.139 -8.685 13.484 1.00 0.00 O ATOM 0 H SER A 2 24.763 -10.282 16.156 1.00 0.00 H new ATOM 0 HA SER A 2 25.084 -11.090 13.325 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.010 -9.563 15.131 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.462 -10.259 13.587 1.00 0.00 H new ATOM 0 HG SER A 2 26.860 -8.027 13.400 1.00 0.00 H new ATOM 19 N SER A 3 26.184 -13.203 13.975 1.00 0.00 N ATOM 20 CA SER A 3 26.727 -14.501 14.360 1.00 0.00 C ATOM 21 C SER A 3 28.252 -14.488 14.310 1.00 0.00 C ATOM 22 O SER A 3 28.919 -14.947 15.236 1.00 0.00 O ATOM 23 CB SER A 3 26.185 -15.597 13.441 1.00 0.00 C ATOM 24 OG SER A 3 24.770 -15.553 13.375 1.00 0.00 O ATOM 0 H SER A 3 25.865 -13.149 13.008 1.00 0.00 H new ATOM 0 HA SER A 3 26.416 -14.708 15.384 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.603 -15.477 12.441 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.505 -16.573 13.806 1.00 0.00 H new ATOM 0 HG SER A 3 24.448 -16.262 12.780 1.00 0.00 H new ATOM 30 N GLY A 4 28.797 -13.957 13.219 1.00 0.00 N ATOM 31 CA GLY A 4 30.239 -13.893 13.067 1.00 0.00 C ATOM 32 C GLY A 4 30.693 -12.629 12.365 1.00 0.00 C ATOM 33 O GLY A 4 31.173 -11.694 13.006 1.00 0.00 O ATOM 0 H GLY A 4 28.266 -13.570 12.439 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.707 -13.947 14.050 1.00 0.00 H new ATOM 0 HA3 GLY A 4 30.581 -14.761 12.503 1.00 0.00 H new ATOM 37 N SER A 5 30.542 -12.599 11.045 1.00 0.00 N ATOM 38 CA SER A 5 30.945 -11.442 10.255 1.00 0.00 C ATOM 39 C SER A 5 29.730 -10.752 9.643 1.00 0.00 C ATOM 40 O SER A 5 29.537 -9.548 9.809 1.00 0.00 O ATOM 41 CB SER A 5 31.916 -11.865 9.151 1.00 0.00 C ATOM 42 OG SER A 5 31.366 -12.902 8.358 1.00 0.00 O ATOM 0 H SER A 5 30.143 -13.363 10.500 1.00 0.00 H new ATOM 0 HA SER A 5 31.445 -10.737 10.918 1.00 0.00 H new ATOM 0 HB2 SER A 5 32.151 -11.007 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 5 32.853 -12.201 9.595 1.00 0.00 H new ATOM 0 HG SER A 5 32.005 -13.153 7.659 1.00 0.00 H new ATOM 48 N SER A 6 28.913 -11.525 8.934 1.00 0.00 N ATOM 49 CA SER A 6 27.718 -10.989 8.294 1.00 0.00 C ATOM 50 C SER A 6 28.087 -9.943 7.245 1.00 0.00 C ATOM 51 O SER A 6 27.382 -8.950 7.069 1.00 0.00 O ATOM 52 CB SER A 6 26.786 -10.373 9.339 1.00 0.00 C ATOM 53 OG SER A 6 26.017 -11.371 9.988 1.00 0.00 O ATOM 0 H SER A 6 29.057 -12.524 8.789 1.00 0.00 H new ATOM 0 HA SER A 6 27.202 -11.811 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.373 -9.825 10.076 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.123 -9.653 8.860 1.00 0.00 H new ATOM 0 HG SER A 6 25.431 -10.952 10.652 1.00 0.00 H new ATOM 59 N GLY A 7 29.197 -10.175 6.552 1.00 0.00 N ATOM 60 CA GLY A 7 29.641 -9.246 5.529 1.00 0.00 C ATOM 61 C GLY A 7 29.911 -9.928 4.203 1.00 0.00 C ATOM 62 O GLY A 7 31.044 -9.937 3.721 1.00 0.00 O ATOM 0 H GLY A 7 29.797 -10.990 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.883 -8.475 5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 7 30.548 -8.744 5.867 1.00 0.00 H new ATOM 66 N ARG A 8 28.869 -10.503 3.612 1.00 0.00 N ATOM 67 CA ARG A 8 29.000 -11.193 2.335 1.00 0.00 C ATOM 68 C ARG A 8 29.419 -10.224 1.233 1.00 0.00 C ATOM 69 O ARG A 8 28.776 -9.197 1.017 1.00 0.00 O ATOM 70 CB ARG A 8 27.680 -11.870 1.959 1.00 0.00 C ATOM 71 CG ARG A 8 27.512 -13.255 2.562 1.00 0.00 C ATOM 72 CD ARG A 8 26.857 -13.189 3.933 1.00 0.00 C ATOM 73 NE ARG A 8 26.637 -14.517 4.499 1.00 0.00 N ATOM 74 CZ ARG A 8 25.964 -14.735 5.623 1.00 0.00 C ATOM 75 NH1 ARG A 8 25.448 -13.717 6.298 1.00 0.00 N ATOM 76 NH2 ARG A 8 25.806 -15.973 6.074 1.00 0.00 N ATOM 0 H ARG A 8 27.925 -10.505 3.997 1.00 0.00 H new ATOM 0 HA ARG A 8 29.774 -11.953 2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 8 26.853 -11.239 2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.617 -11.946 0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.907 -13.872 1.897 1.00 0.00 H new ATOM 0 HG3 ARG A 8 28.486 -13.737 2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 8 27.485 -12.607 4.607 1.00 0.00 H new ATOM 0 HD3 ARG A 8 25.904 -12.666 3.855 1.00 0.00 H new ATOM 0 HE ARG A 8 27.021 -15.322 4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 8 25.568 -12.764 5.954 1.00 0.00 H new ATOM 0 HH12 ARG A 8 24.931 -13.887 7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 8 26.202 -16.758 5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 8 25.289 -16.139 6.937 1.00 0.00 H new ATOM 90 N VAL A 9 30.503 -10.558 0.539 1.00 0.00 N ATOM 91 CA VAL A 9 31.008 -9.719 -0.540 1.00 0.00 C ATOM 92 C VAL A 9 30.429 -10.144 -1.885 1.00 0.00 C ATOM 93 O VAL A 9 30.346 -11.334 -2.189 1.00 0.00 O ATOM 94 CB VAL A 9 32.546 -9.768 -0.617 1.00 0.00 C ATOM 95 CG1 VAL A 9 33.054 -8.871 -1.735 1.00 0.00 C ATOM 96 CG2 VAL A 9 33.159 -9.371 0.717 1.00 0.00 C ATOM 0 H VAL A 9 31.048 -11.404 0.706 1.00 0.00 H new ATOM 0 HA VAL A 9 30.695 -8.699 -0.319 1.00 0.00 H new ATOM 0 HB VAL A 9 32.849 -10.791 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 9 34.142 -8.919 -1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 9 32.642 -9.207 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 9 32.742 -7.844 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 9 34.246 -9.411 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 9 32.850 -8.357 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 9 32.821 -10.059 1.492 1.00 0.00 H new ATOM 106 N LYS A 10 30.028 -9.163 -2.687 1.00 0.00 N ATOM 107 CA LYS A 10 29.457 -9.434 -4.001 1.00 0.00 C ATOM 108 C LYS A 10 29.941 -8.413 -5.025 1.00 0.00 C ATOM 109 O LYS A 10 30.767 -7.554 -4.716 1.00 0.00 O ATOM 110 CB LYS A 10 27.929 -9.416 -3.930 1.00 0.00 C ATOM 111 CG LYS A 10 27.376 -8.336 -3.015 1.00 0.00 C ATOM 112 CD LYS A 10 27.108 -7.047 -3.774 1.00 0.00 C ATOM 113 CE LYS A 10 28.316 -6.124 -3.749 1.00 0.00 C ATOM 114 NZ LYS A 10 27.920 -4.689 -3.789 1.00 0.00 N ATOM 0 H LYS A 10 30.088 -8.173 -2.450 1.00 0.00 H new ATOM 0 HA LYS A 10 29.788 -10.424 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 10 27.529 -9.271 -4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 10 27.578 -10.388 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 10 26.453 -8.686 -2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 10 28.083 -8.144 -2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.847 -7.279 -4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.250 -6.537 -3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 10 28.900 -6.314 -2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 10 28.960 -6.347 -4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.772 -4.093 -3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.385 -4.501 -4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.326 -4.470 -2.964 1.00 0.00 H new ATOM 128 N GLU A 11 29.421 -8.512 -6.245 1.00 0.00 N ATOM 129 CA GLU A 11 29.801 -7.596 -7.314 1.00 0.00 C ATOM 130 C GLU A 11 28.566 -6.993 -7.978 1.00 0.00 C ATOM 131 O GLU A 11 28.405 -5.774 -8.021 1.00 0.00 O ATOM 132 CB GLU A 11 30.653 -8.320 -8.358 1.00 0.00 C ATOM 133 CG GLU A 11 31.331 -7.385 -9.345 1.00 0.00 C ATOM 134 CD GLU A 11 31.937 -8.121 -10.524 1.00 0.00 C ATOM 135 OE1 GLU A 11 32.830 -8.964 -10.302 1.00 0.00 O ATOM 136 OE2 GLU A 11 31.516 -7.853 -11.670 1.00 0.00 O ATOM 0 H GLU A 11 28.736 -9.217 -6.517 1.00 0.00 H new ATOM 0 HA GLU A 11 30.387 -6.789 -6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 11 31.414 -8.910 -7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 11 30.023 -9.020 -8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 11 30.605 -6.659 -9.709 1.00 0.00 H new ATOM 0 HG3 GLU A 11 32.112 -6.824 -8.831 1.00 0.00 H new ATOM 143 N SER A 12 27.698 -7.857 -8.494 1.00 0.00 N ATOM 144 CA SER A 12 26.480 -7.411 -9.161 1.00 0.00 C ATOM 145 C SER A 12 25.868 -6.219 -8.432 1.00 0.00 C ATOM 146 O SER A 12 25.652 -6.263 -7.220 1.00 0.00 O ATOM 147 CB SER A 12 25.466 -8.554 -9.234 1.00 0.00 C ATOM 148 OG SER A 12 25.830 -9.495 -10.229 1.00 0.00 O ATOM 0 H SER A 12 27.815 -8.870 -8.463 1.00 0.00 H new ATOM 0 HA SER A 12 26.741 -7.101 -10.173 1.00 0.00 H new ATOM 0 HB2 SER A 12 25.402 -9.050 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 12 24.476 -8.153 -9.453 1.00 0.00 H new ATOM 0 HG SER A 12 25.167 -10.217 -10.255 1.00 0.00 H new ATOM 154 N ILE A 13 25.591 -5.155 -9.178 1.00 0.00 N ATOM 155 CA ILE A 13 25.003 -3.952 -8.604 1.00 0.00 C ATOM 156 C ILE A 13 23.480 -4.032 -8.600 1.00 0.00 C ATOM 157 O ILE A 13 22.870 -4.526 -9.549 1.00 0.00 O ATOM 158 CB ILE A 13 25.436 -2.690 -9.375 1.00 0.00 C ATOM 159 CG1 ILE A 13 24.513 -1.518 -9.038 1.00 0.00 C ATOM 160 CG2 ILE A 13 25.436 -2.959 -10.873 1.00 0.00 C ATOM 161 CD1 ILE A 13 25.188 -0.168 -9.139 1.00 0.00 C ATOM 0 H ILE A 13 25.765 -5.102 -10.182 1.00 0.00 H new ATOM 0 HA ILE A 13 25.364 -3.884 -7.578 1.00 0.00 H new ATOM 0 HB ILE A 13 26.450 -2.427 -9.073 1.00 0.00 H new ATOM 0 HG12 ILE A 13 23.655 -1.537 -9.710 1.00 0.00 H new ATOM 0 HG13 ILE A 13 24.129 -1.648 -8.026 1.00 0.00 H new ATOM 0 HG21 ILE A 13 25.744 -2.058 -11.404 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.131 -3.768 -11.097 1.00 0.00 H new ATOM 0 HG23 ILE A 13 24.433 -3.243 -11.192 1.00 0.00 H new ATOM 0 HD11 ILE A 13 24.474 0.616 -8.886 1.00 0.00 H new ATOM 0 HD12 ILE A 13 26.029 -0.129 -8.447 1.00 0.00 H new ATOM 0 HD13 ILE A 13 25.548 -0.016 -10.157 1.00 0.00 H new ATOM 173 N THR A 14 22.870 -3.543 -7.525 1.00 0.00 N ATOM 174 CA THR A 14 21.418 -3.558 -7.396 1.00 0.00 C ATOM 175 C THR A 14 20.843 -2.150 -7.487 1.00 0.00 C ATOM 176 O THR A 14 21.427 -1.196 -6.971 1.00 0.00 O ATOM 177 CB THR A 14 20.979 -4.195 -6.064 1.00 0.00 C ATOM 178 OG1 THR A 14 19.573 -4.005 -5.870 1.00 0.00 O ATOM 179 CG2 THR A 14 21.744 -3.590 -4.897 1.00 0.00 C ATOM 0 H THR A 14 23.359 -3.131 -6.730 1.00 0.00 H new ATOM 0 HA THR A 14 21.034 -4.158 -8.221 1.00 0.00 H new ATOM 0 HB THR A 14 21.198 -5.262 -6.107 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.302 -4.414 -5.022 1.00 0.00 H new ATOM 0 HG21 THR A 14 21.417 -4.055 -3.967 1.00 0.00 H new ATOM 0 HG22 THR A 14 22.812 -3.762 -5.033 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.552 -2.518 -4.853 1.00 0.00 H new ATOM 187 N ARG A 15 19.694 -2.025 -8.144 1.00 0.00 N ATOM 188 CA ARG A 15 19.041 -0.732 -8.302 1.00 0.00 C ATOM 189 C ARG A 15 17.566 -0.817 -7.917 1.00 0.00 C ATOM 190 O ARG A 15 16.920 -1.847 -8.116 1.00 0.00 O ATOM 191 CB ARG A 15 19.174 -0.242 -9.745 1.00 0.00 C ATOM 192 CG ARG A 15 20.556 0.298 -10.079 1.00 0.00 C ATOM 193 CD ARG A 15 20.822 1.620 -9.378 1.00 0.00 C ATOM 194 NE ARG A 15 21.879 2.385 -10.035 1.00 0.00 N ATOM 195 CZ ARG A 15 22.360 3.530 -9.563 1.00 0.00 C ATOM 196 NH1 ARG A 15 21.881 4.039 -8.436 1.00 0.00 N ATOM 197 NH2 ARG A 15 23.322 4.167 -10.217 1.00 0.00 N ATOM 0 H ARG A 15 19.197 -2.804 -8.575 1.00 0.00 H new ATOM 0 HA ARG A 15 19.533 -0.022 -7.637 1.00 0.00 H new ATOM 0 HB2 ARG A 15 18.941 -1.064 -10.422 1.00 0.00 H new ATOM 0 HB3 ARG A 15 18.435 0.539 -9.925 1.00 0.00 H new ATOM 0 HG2 ARG A 15 21.313 -0.429 -9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 15 20.644 0.432 -11.157 1.00 0.00 H new ATOM 0 HD2 ARG A 15 19.906 2.210 -9.358 1.00 0.00 H new ATOM 0 HD3 ARG A 15 21.102 1.431 -8.342 1.00 0.00 H new ATOM 0 HE ARG A 15 22.269 2.020 -10.904 1.00 0.00 H new ATOM 0 HH11 ARG A 15 21.142 3.551 -7.930 1.00 0.00 H new ATOM 0 HH12 ARG A 15 22.252 4.918 -8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 15 23.694 3.778 -11.084 1.00 0.00 H new ATOM 0 HH22 ARG A 15 23.690 5.046 -9.853 1.00 0.00 H new ATOM 211 N THR A 16 17.040 0.271 -7.364 1.00 0.00 N ATOM 212 CA THR A 16 15.644 0.319 -6.950 1.00 0.00 C ATOM 213 C THR A 16 14.741 0.732 -8.107 1.00 0.00 C ATOM 214 O THR A 16 14.962 1.762 -8.743 1.00 0.00 O ATOM 215 CB THR A 16 15.438 1.299 -5.779 1.00 0.00 C ATOM 216 OG1 THR A 16 15.826 2.620 -6.172 1.00 0.00 O ATOM 217 CG2 THR A 16 16.247 0.867 -4.565 1.00 0.00 C ATOM 0 H THR A 16 17.560 1.131 -7.192 1.00 0.00 H new ATOM 0 HA THR A 16 15.377 -0.686 -6.624 1.00 0.00 H new ATOM 0 HB THR A 16 14.381 1.296 -5.512 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.722 2.717 -7.142 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.086 1.573 -3.751 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.929 -0.127 -4.251 1.00 0.00 H new ATOM 0 HG23 THR A 16 17.306 0.845 -4.822 1.00 0.00 H new ATOM 225 N SER A 17 13.722 -0.079 -8.375 1.00 0.00 N ATOM 226 CA SER A 17 12.787 0.200 -9.458 1.00 0.00 C ATOM 227 C SER A 17 11.360 -0.148 -9.047 1.00 0.00 C ATOM 228 O SER A 17 11.101 -1.228 -8.516 1.00 0.00 O ATOM 229 CB SER A 17 13.175 -0.587 -10.711 1.00 0.00 C ATOM 230 OG SER A 17 14.420 -0.146 -11.225 1.00 0.00 O ATOM 0 H SER A 17 13.523 -0.935 -7.857 1.00 0.00 H new ATOM 0 HA SER A 17 12.833 1.266 -9.679 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.232 -1.649 -10.474 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.402 -0.471 -11.471 1.00 0.00 H new ATOM 0 HG SER A 17 14.646 -0.666 -12.025 1.00 0.00 H new ATOM 236 N ARG A 18 10.437 0.776 -9.296 1.00 0.00 N ATOM 237 CA ARG A 18 9.036 0.569 -8.951 1.00 0.00 C ATOM 238 C ARG A 18 8.547 -0.787 -9.452 1.00 0.00 C ATOM 239 O ARG A 18 8.764 -1.147 -10.609 1.00 0.00 O ATOM 240 CB ARG A 18 8.172 1.684 -9.542 1.00 0.00 C ATOM 241 CG ARG A 18 6.932 1.995 -8.721 1.00 0.00 C ATOM 242 CD ARG A 18 7.284 2.734 -7.439 1.00 0.00 C ATOM 243 NE ARG A 18 7.855 4.051 -7.705 1.00 0.00 N ATOM 244 CZ ARG A 18 9.154 4.268 -7.880 1.00 0.00 C ATOM 245 NH1 ARG A 18 10.012 3.259 -7.817 1.00 0.00 N ATOM 246 NH2 ARG A 18 9.596 5.496 -8.118 1.00 0.00 N ATOM 0 H ARG A 18 10.635 1.675 -9.735 1.00 0.00 H new ATOM 0 HA ARG A 18 8.949 0.589 -7.865 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.773 2.589 -9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.868 1.401 -10.550 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.244 2.599 -9.313 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.414 1.068 -8.477 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.389 2.844 -6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.994 2.141 -6.862 1.00 0.00 H new ATOM 0 HE ARG A 18 7.222 4.849 -7.760 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.675 2.314 -7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.009 3.428 -7.952 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.938 6.274 -8.167 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.593 5.662 -8.252 1.00 0.00 H new ATOM 260 N ALA A 19 7.887 -1.535 -8.573 1.00 0.00 N ATOM 261 CA ALA A 19 7.367 -2.850 -8.927 1.00 0.00 C ATOM 262 C ALA A 19 6.088 -2.731 -9.748 1.00 0.00 C ATOM 263 O ALA A 19 5.262 -1.844 -9.531 1.00 0.00 O ATOM 264 CB ALA A 19 7.117 -3.673 -7.672 1.00 0.00 C ATOM 0 H ALA A 19 7.700 -1.252 -7.611 1.00 0.00 H new ATOM 0 HA ALA A 19 8.114 -3.357 -9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.729 -4.653 -7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.052 -3.795 -7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.391 -3.161 -7.040 1.00 0.00 H new ATOM 270 N PRO A 20 5.917 -3.645 -10.715 1.00 0.00 N ATOM 271 CA PRO A 20 4.740 -3.664 -11.588 1.00 0.00 C ATOM 272 C PRO A 20 3.473 -4.071 -10.844 1.00 0.00 C ATOM 273 O PRO A 20 3.210 -5.258 -10.650 1.00 0.00 O ATOM 274 CB PRO A 20 5.099 -4.711 -12.645 1.00 0.00 C ATOM 275 CG PRO A 20 6.083 -5.606 -11.974 1.00 0.00 C ATOM 276 CD PRO A 20 6.861 -4.732 -11.029 1.00 0.00 C ATOM 0 HA PRO A 20 4.523 -2.679 -12.001 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.218 -5.264 -12.969 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.528 -4.246 -13.533 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.578 -6.408 -11.437 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.743 -6.077 -12.703 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.160 -5.276 -10.133 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.772 -4.352 -11.491 1.00 0.00 H new ATOM 284 N SER A 21 2.690 -3.079 -10.431 1.00 0.00 N ATOM 285 CA SER A 21 1.452 -3.334 -9.705 1.00 0.00 C ATOM 286 C SER A 21 0.262 -2.701 -10.421 1.00 0.00 C ATOM 287 O SER A 21 -0.014 -1.513 -10.257 1.00 0.00 O ATOM 288 CB SER A 21 1.551 -2.792 -8.278 1.00 0.00 C ATOM 289 OG SER A 21 2.625 -3.395 -7.577 1.00 0.00 O ATOM 0 H SER A 21 2.892 -2.091 -10.587 1.00 0.00 H new ATOM 0 HA SER A 21 1.299 -4.412 -9.666 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.691 -1.711 -8.305 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.617 -2.979 -7.749 1.00 0.00 H new ATOM 0 HG SER A 21 2.668 -3.031 -6.668 1.00 0.00 H new ATOM 295 N VAL A 22 -0.438 -3.504 -11.216 1.00 0.00 N ATOM 296 CA VAL A 22 -1.599 -3.024 -11.956 1.00 0.00 C ATOM 297 C VAL A 22 -2.781 -2.776 -11.026 1.00 0.00 C ATOM 298 O VAL A 22 -2.974 -3.496 -10.047 1.00 0.00 O ATOM 299 CB VAL A 22 -2.020 -4.024 -13.049 1.00 0.00 C ATOM 300 CG1 VAL A 22 -0.844 -4.352 -13.956 1.00 0.00 C ATOM 301 CG2 VAL A 22 -2.590 -5.288 -12.423 1.00 0.00 C ATOM 0 H VAL A 22 -0.221 -4.490 -11.364 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.308 -2.084 -12.426 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.799 -3.564 -13.657 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.161 -5.060 -14.722 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.486 -3.439 -14.432 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.041 -4.792 -13.365 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.882 -5.984 -13.210 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.834 -5.753 -11.790 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.462 -5.034 -11.820 1.00 0.00 H new ATOM 311 N ALA A 23 -3.569 -1.753 -11.339 1.00 0.00 N ATOM 312 CA ALA A 23 -4.734 -1.411 -10.532 1.00 0.00 C ATOM 313 C ALA A 23 -5.740 -0.597 -11.338 1.00 0.00 C ATOM 314 O ALA A 23 -5.378 0.083 -12.299 1.00 0.00 O ATOM 315 CB ALA A 23 -4.309 -0.645 -9.288 1.00 0.00 C ATOM 0 H ALA A 23 -3.422 -1.146 -12.146 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.218 -2.339 -10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.189 -0.396 -8.695 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.634 -1.261 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.799 0.272 -9.582 1.00 0.00 H new ATOM 321 N THR A 24 -7.007 -0.672 -10.942 1.00 0.00 N ATOM 322 CA THR A 24 -8.067 0.057 -11.629 1.00 0.00 C ATOM 323 C THR A 24 -9.068 0.637 -10.637 1.00 0.00 C ATOM 324 O THR A 24 -9.071 0.275 -9.460 1.00 0.00 O ATOM 325 CB THR A 24 -8.815 -0.848 -12.626 1.00 0.00 C ATOM 326 OG1 THR A 24 -10.073 -0.259 -12.973 1.00 0.00 O ATOM 327 CG2 THR A 24 -9.043 -2.231 -12.036 1.00 0.00 C ATOM 0 H THR A 24 -7.324 -1.230 -10.149 1.00 0.00 H new ATOM 0 HA THR A 24 -7.589 0.870 -12.175 1.00 0.00 H new ATOM 0 HB THR A 24 -8.202 -0.949 -13.521 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.542 -0.839 -13.608 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.573 -2.852 -12.758 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.082 -2.689 -11.800 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.637 -2.145 -11.126 1.00 0.00 H new ATOM 335 N VAL A 25 -9.917 1.538 -11.119 1.00 0.00 N ATOM 336 CA VAL A 25 -10.925 2.168 -10.274 1.00 0.00 C ATOM 337 C VAL A 25 -12.295 1.533 -10.487 1.00 0.00 C ATOM 338 O VAL A 25 -12.608 1.057 -11.577 1.00 0.00 O ATOM 339 CB VAL A 25 -11.024 3.680 -10.549 1.00 0.00 C ATOM 340 CG1 VAL A 25 -10.963 3.956 -12.044 1.00 0.00 C ATOM 341 CG2 VAL A 25 -12.299 4.249 -9.945 1.00 0.00 C ATOM 0 H VAL A 25 -9.927 1.849 -12.091 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.613 2.014 -9.241 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.174 4.174 -10.078 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.034 5.029 -12.219 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.019 3.585 -12.444 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.791 3.451 -12.541 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.352 5.318 -10.149 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -13.163 3.752 -10.385 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.296 4.085 -8.867 1.00 0.00 H new ATOM 351 N GLY A 26 -13.110 1.530 -9.436 1.00 0.00 N ATOM 352 CA GLY A 26 -14.437 0.951 -9.528 1.00 0.00 C ATOM 353 C GLY A 26 -14.402 -0.543 -9.783 1.00 0.00 C ATOM 354 O GLY A 26 -15.036 -1.035 -10.716 1.00 0.00 O ATOM 0 H GLY A 26 -12.874 1.918 -8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.980 1.146 -8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.989 1.441 -10.331 1.00 0.00 H new ATOM 358 N SER A 27 -13.658 -1.266 -8.953 1.00 0.00 N ATOM 359 CA SER A 27 -13.538 -2.712 -9.096 1.00 0.00 C ATOM 360 C SER A 27 -12.729 -3.307 -7.947 1.00 0.00 C ATOM 361 O SER A 27 -11.692 -2.768 -7.560 1.00 0.00 O ATOM 362 CB SER A 27 -12.880 -3.061 -10.432 1.00 0.00 C ATOM 363 OG SER A 27 -13.837 -3.108 -11.476 1.00 0.00 O ATOM 0 H SER A 27 -13.129 -0.874 -8.174 1.00 0.00 H new ATOM 0 HA SER A 27 -14.541 -3.139 -9.070 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.116 -2.321 -10.669 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.377 -4.025 -10.352 1.00 0.00 H new ATOM 0 HG SER A 27 -14.562 -2.477 -11.284 1.00 0.00 H new ATOM 369 N ILE A 28 -13.211 -4.421 -7.407 1.00 0.00 N ATOM 370 CA ILE A 28 -12.533 -5.090 -6.304 1.00 0.00 C ATOM 371 C ILE A 28 -11.069 -5.357 -6.639 1.00 0.00 C ATOM 372 O ILE A 28 -10.745 -6.335 -7.313 1.00 0.00 O ATOM 373 CB ILE A 28 -13.218 -6.423 -5.947 1.00 0.00 C ATOM 374 CG1 ILE A 28 -14.665 -6.178 -5.514 1.00 0.00 C ATOM 375 CG2 ILE A 28 -12.444 -7.139 -4.850 1.00 0.00 C ATOM 376 CD1 ILE A 28 -15.472 -7.448 -5.360 1.00 0.00 C ATOM 0 H ILE A 28 -14.068 -4.879 -7.715 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.591 -4.420 -5.446 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.227 -7.059 -6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.666 -5.639 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -15.151 -5.535 -6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.940 -8.079 -4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.430 -7.342 -5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.407 -6.510 -3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.487 -7.199 -5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.502 -7.978 -6.312 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.009 -8.084 -4.605 1.00 0.00 H new ATOM 388 N CYS A 29 -10.191 -4.482 -6.163 1.00 0.00 N ATOM 389 CA CYS A 29 -8.760 -4.623 -6.411 1.00 0.00 C ATOM 390 C CYS A 29 -8.100 -5.463 -5.322 1.00 0.00 C ATOM 391 O CYS A 29 -8.110 -5.093 -4.147 1.00 0.00 O ATOM 392 CB CYS A 29 -8.096 -3.248 -6.485 1.00 0.00 C ATOM 393 SG CYS A 29 -6.535 -3.230 -7.396 1.00 0.00 S ATOM 0 H CYS A 29 -10.444 -3.668 -5.603 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.630 -5.132 -7.366 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.787 -2.548 -6.955 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.917 -2.888 -5.472 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.052 -2.023 -7.405 1.00 0.00 H new ATOM 399 N ASP A 30 -7.529 -6.594 -5.719 1.00 0.00 N ATOM 400 CA ASP A 30 -6.864 -7.487 -4.777 1.00 0.00 C ATOM 401 C ASP A 30 -5.396 -7.106 -4.610 1.00 0.00 C ATOM 402 O ASP A 30 -4.599 -7.243 -5.538 1.00 0.00 O ATOM 403 CB ASP A 30 -6.976 -8.937 -5.249 1.00 0.00 C ATOM 404 CG ASP A 30 -8.388 -9.304 -5.662 1.00 0.00 C ATOM 405 OD1 ASP A 30 -9.320 -9.068 -4.865 1.00 0.00 O ATOM 406 OD2 ASP A 30 -8.562 -9.826 -6.783 1.00 0.00 O ATOM 0 H ASP A 30 -7.513 -6.915 -6.687 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.359 -7.388 -3.811 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.302 -9.095 -6.091 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.650 -9.602 -4.450 1.00 0.00 H new ATOM 411 N LEU A 31 -5.047 -6.626 -3.421 1.00 0.00 N ATOM 412 CA LEU A 31 -3.675 -6.223 -3.132 1.00 0.00 C ATOM 413 C LEU A 31 -2.907 -7.354 -2.455 1.00 0.00 C ATOM 414 O LEU A 31 -2.992 -7.535 -1.241 1.00 0.00 O ATOM 415 CB LEU A 31 -3.664 -4.979 -2.242 1.00 0.00 C ATOM 416 CG LEU A 31 -2.308 -4.298 -2.056 1.00 0.00 C ATOM 417 CD1 LEU A 31 -1.803 -3.745 -3.380 1.00 0.00 C ATOM 418 CD2 LEU A 31 -2.404 -3.192 -1.016 1.00 0.00 C ATOM 0 H LEU A 31 -5.695 -6.507 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.184 -5.990 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.359 -4.251 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.046 -5.256 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.595 -5.042 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.837 -3.264 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.695 -4.559 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.515 -3.015 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.429 -2.719 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.131 -2.448 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.720 -3.615 -0.063 1.00 0.00 H new ATOM 430 N ASN A 32 -2.155 -8.110 -3.248 1.00 0.00 N ATOM 431 CA ASN A 32 -1.370 -9.222 -2.725 1.00 0.00 C ATOM 432 C ASN A 32 -0.106 -8.718 -2.035 1.00 0.00 C ATOM 433 O ASN A 32 0.672 -7.961 -2.616 1.00 0.00 O ATOM 434 CB ASN A 32 -0.999 -10.187 -3.853 1.00 0.00 C ATOM 435 CG ASN A 32 -0.248 -9.500 -4.978 1.00 0.00 C ATOM 436 OD1 ASN A 32 -0.820 -8.709 -5.728 1.00 0.00 O ATOM 437 ND2 ASN A 32 1.040 -9.800 -5.099 1.00 0.00 N ATOM 0 H ASN A 32 -2.073 -7.973 -4.255 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.978 -9.750 -1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.387 -10.994 -3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.906 -10.643 -4.250 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.597 -9.369 -5.837 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.472 -10.462 -4.454 1.00 0.00 H new ATOM 444 N LEU A 33 0.092 -9.144 -0.792 1.00 0.00 N ATOM 445 CA LEU A 33 1.262 -8.737 -0.022 1.00 0.00 C ATOM 446 C LEU A 33 1.909 -9.938 0.662 1.00 0.00 C ATOM 447 O LEU A 33 1.223 -10.779 1.244 1.00 0.00 O ATOM 448 CB LEU A 33 0.870 -7.691 1.024 1.00 0.00 C ATOM 449 CG LEU A 33 0.601 -6.282 0.495 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.270 -5.504 1.469 1.00 0.00 C ATOM 451 CD2 LEU A 33 1.909 -5.548 0.242 1.00 0.00 C ATOM 0 H LEU A 33 -0.542 -9.771 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 33 1.986 -8.301 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.024 -8.040 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.666 -7.633 1.767 1.00 0.00 H new ATOM 0 HG LEU A 33 0.067 -6.366 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.451 -4.504 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.221 -6.020 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.237 -5.430 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.698 -4.547 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.471 -5.475 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.497 -6.096 -0.494 1.00 0.00 H new ATOM 463 N LYS A 34 3.233 -10.012 0.588 1.00 0.00 N ATOM 464 CA LYS A 34 3.974 -11.107 1.202 1.00 0.00 C ATOM 465 C LYS A 34 4.252 -10.819 2.674 1.00 0.00 C ATOM 466 O LYS A 34 5.371 -10.467 3.047 1.00 0.00 O ATOM 467 CB LYS A 34 5.292 -11.337 0.460 1.00 0.00 C ATOM 468 CG LYS A 34 5.111 -11.886 -0.945 1.00 0.00 C ATOM 469 CD LYS A 34 6.257 -11.478 -1.855 1.00 0.00 C ATOM 470 CE LYS A 34 5.813 -11.397 -3.308 1.00 0.00 C ATOM 471 NZ LYS A 34 4.989 -10.185 -3.570 1.00 0.00 N ATOM 0 H LYS A 34 3.816 -9.326 0.108 1.00 0.00 H new ATOM 0 HA LYS A 34 3.363 -12.007 1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.838 -10.395 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.907 -12.029 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.046 -12.973 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.170 -11.525 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.648 -10.511 -1.538 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.071 -12.197 -1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.690 -11.387 -3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.239 -12.288 -3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.906 -10.037 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.042 -10.314 -3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.443 -9.356 -3.137 1.00 0.00 H new ATOM 485 N ILE A 35 3.226 -10.972 3.506 1.00 0.00 N ATOM 486 CA ILE A 35 3.362 -10.730 4.937 1.00 0.00 C ATOM 487 C ILE A 35 3.771 -12.001 5.673 1.00 0.00 C ATOM 488 O ILE A 35 3.279 -13.095 5.394 1.00 0.00 O ATOM 489 CB ILE A 35 2.050 -10.198 5.544 1.00 0.00 C ATOM 490 CG1 ILE A 35 1.656 -8.875 4.884 1.00 0.00 C ATOM 491 CG2 ILE A 35 2.196 -10.023 7.048 1.00 0.00 C ATOM 492 CD1 ILE A 35 0.164 -8.627 4.872 1.00 0.00 C ATOM 0 H ILE A 35 2.293 -11.262 3.214 1.00 0.00 H new ATOM 0 HA ILE A 35 4.141 -9.977 5.058 1.00 0.00 H new ATOM 0 HB ILE A 35 1.259 -10.925 5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.148 -8.056 5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.026 -8.865 3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.261 -9.646 7.463 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.435 -10.984 7.505 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.997 -9.313 7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.042 -7.672 4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.333 -9.426 4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.209 -8.604 5.896 1.00 0.00 H new ATOM 504 N PRO A 36 4.692 -11.857 6.637 1.00 0.00 N ATOM 505 CA PRO A 36 5.186 -12.983 7.435 1.00 0.00 C ATOM 506 C PRO A 36 4.129 -13.524 8.391 1.00 0.00 C ATOM 507 O PRO A 36 2.959 -13.150 8.312 1.00 0.00 O ATOM 508 CB PRO A 36 6.354 -12.377 8.217 1.00 0.00 C ATOM 509 CG PRO A 36 6.043 -10.922 8.297 1.00 0.00 C ATOM 510 CD PRO A 36 5.322 -10.583 7.022 1.00 0.00 C ATOM 0 HA PRO A 36 5.467 -13.832 6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.437 -12.819 9.210 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.303 -12.552 7.710 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.423 -10.703 9.166 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.954 -10.333 8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.581 -9.799 7.176 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.009 -10.226 6.255 1.00 0.00 H new ATOM 518 N GLU A 37 4.548 -14.406 9.293 1.00 0.00 N ATOM 519 CA GLU A 37 3.636 -14.998 10.263 1.00 0.00 C ATOM 520 C GLU A 37 2.695 -13.944 10.839 1.00 0.00 C ATOM 521 O GLU A 37 1.591 -14.258 11.284 1.00 0.00 O ATOM 522 CB GLU A 37 4.421 -15.668 11.393 1.00 0.00 C ATOM 523 CG GLU A 37 4.939 -17.051 11.037 1.00 0.00 C ATOM 524 CD GLU A 37 3.946 -18.149 11.366 1.00 0.00 C ATOM 525 OE1 GLU A 37 3.114 -18.476 10.493 1.00 0.00 O ATOM 526 OE2 GLU A 37 4.000 -18.680 12.494 1.00 0.00 O ATOM 0 H GLU A 37 5.513 -14.726 9.372 1.00 0.00 H new ATOM 0 HA GLU A 37 3.039 -15.751 9.749 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.264 -15.032 11.665 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.782 -15.744 12.273 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.172 -17.084 9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.870 -17.235 11.574 1.00 0.00 H new ATOM 533 N ILE A 38 3.141 -12.692 10.828 1.00 0.00 N ATOM 534 CA ILE A 38 2.339 -11.591 11.349 1.00 0.00 C ATOM 535 C ILE A 38 0.859 -11.802 11.052 1.00 0.00 C ATOM 536 O ILE A 38 0.462 -11.954 9.898 1.00 0.00 O ATOM 537 CB ILE A 38 2.784 -10.241 10.755 1.00 0.00 C ATOM 538 CG1 ILE A 38 4.140 -9.828 11.331 1.00 0.00 C ATOM 539 CG2 ILE A 38 1.737 -9.172 11.029 1.00 0.00 C ATOM 540 CD1 ILE A 38 4.721 -8.592 10.680 1.00 0.00 C ATOM 0 H ILE A 38 4.053 -12.415 10.464 1.00 0.00 H new ATOM 0 HA ILE A 38 2.491 -11.571 12.428 1.00 0.00 H new ATOM 0 HB ILE A 38 2.888 -10.351 9.676 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.032 -9.649 12.401 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.842 -10.654 11.215 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.065 -8.224 10.603 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.790 -9.465 10.575 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.604 -9.060 12.105 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.682 -8.357 11.138 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.861 -8.774 9.614 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.039 -7.753 10.818 1.00 0.00 H new ATOM 552 N ASN A 39 0.045 -11.806 12.103 1.00 0.00 N ATOM 553 CA ASN A 39 -1.393 -11.996 11.956 1.00 0.00 C ATOM 554 C ASN A 39 -2.061 -10.723 11.445 1.00 0.00 C ATOM 555 O ASN A 39 -1.423 -9.676 11.339 1.00 0.00 O ATOM 556 CB ASN A 39 -2.014 -12.410 13.292 1.00 0.00 C ATOM 557 CG ASN A 39 -1.390 -13.673 13.853 1.00 0.00 C ATOM 558 OD1 ASN A 39 -0.963 -13.708 15.007 1.00 0.00 O ATOM 559 ND2 ASN A 39 -1.333 -14.718 13.036 1.00 0.00 N ATOM 0 H ASN A 39 0.357 -11.680 13.066 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.556 -12.789 11.226 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.896 -11.599 14.011 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.085 -12.565 13.159 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.923 -15.595 13.357 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.699 -14.644 12.087 1.00 0.00 H new ATOM 566 N SER A 40 -3.348 -10.821 11.131 1.00 0.00 N ATOM 567 CA SER A 40 -4.102 -9.679 10.628 1.00 0.00 C ATOM 568 C SER A 40 -4.857 -8.986 11.758 1.00 0.00 C ATOM 569 O SER A 40 -5.117 -7.784 11.701 1.00 0.00 O ATOM 570 CB SER A 40 -5.083 -10.126 9.542 1.00 0.00 C ATOM 571 OG SER A 40 -5.651 -9.011 8.878 1.00 0.00 O ATOM 0 H SER A 40 -3.891 -11.680 11.216 1.00 0.00 H new ATOM 0 HA SER A 40 -3.395 -8.969 10.198 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.567 -10.759 8.820 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.874 -10.729 9.988 1.00 0.00 H new ATOM 0 HG SER A 40 -6.621 -9.008 9.015 1.00 0.00 H new ATOM 577 N SER A 41 -5.207 -9.754 12.785 1.00 0.00 N ATOM 578 CA SER A 41 -5.936 -9.217 13.928 1.00 0.00 C ATOM 579 C SER A 41 -5.139 -8.108 14.608 1.00 0.00 C ATOM 580 O SER A 41 -5.657 -7.393 15.466 1.00 0.00 O ATOM 581 CB SER A 41 -6.243 -10.329 14.933 1.00 0.00 C ATOM 582 OG SER A 41 -7.190 -11.244 14.407 1.00 0.00 O ATOM 0 H SER A 41 -4.997 -10.750 12.849 1.00 0.00 H new ATOM 0 HA SER A 41 -6.874 -8.797 13.564 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.324 -10.857 15.187 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.627 -9.894 15.856 1.00 0.00 H new ATOM 0 HG SER A 41 -7.368 -11.946 15.067 1.00 0.00 H new ATOM 588 N ASP A 42 -3.876 -7.972 14.219 1.00 0.00 N ATOM 589 CA ASP A 42 -3.006 -6.950 14.789 1.00 0.00 C ATOM 590 C ASP A 42 -2.666 -5.885 13.751 1.00 0.00 C ATOM 591 O ASP A 42 -2.404 -4.732 14.093 1.00 0.00 O ATOM 592 CB ASP A 42 -1.723 -7.584 15.326 1.00 0.00 C ATOM 593 CG ASP A 42 -1.996 -8.637 16.382 1.00 0.00 C ATOM 594 OD1 ASP A 42 -2.767 -8.350 17.321 1.00 0.00 O ATOM 595 OD2 ASP A 42 -1.438 -9.749 16.269 1.00 0.00 O ATOM 0 H ASP A 42 -3.432 -8.557 13.511 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.538 -6.473 15.612 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.171 -8.035 14.501 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.086 -6.807 15.748 1.00 0.00 H new ATOM 600 N MET A 43 -2.671 -6.280 12.482 1.00 0.00 N ATOM 601 CA MET A 43 -2.363 -5.358 11.394 1.00 0.00 C ATOM 602 C MET A 43 -3.546 -4.438 11.110 1.00 0.00 C ATOM 603 O MET A 43 -4.587 -4.530 11.760 1.00 0.00 O ATOM 604 CB MET A 43 -1.991 -6.135 10.130 1.00 0.00 C ATOM 605 CG MET A 43 -0.530 -6.550 10.079 1.00 0.00 C ATOM 606 SD MET A 43 -0.031 -7.139 8.450 1.00 0.00 S ATOM 607 CE MET A 43 -0.972 -8.658 8.336 1.00 0.00 C ATOM 0 H MET A 43 -2.885 -7.231 12.182 1.00 0.00 H new ATOM 0 HA MET A 43 -1.514 -4.745 11.699 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.616 -7.026 10.064 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.217 -5.522 9.257 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.094 -5.702 10.361 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.354 -7.335 10.814 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.307 -9.510 8.482 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.746 -8.665 9.104 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.437 -8.725 7.352 1.00 0.00 H new ATOM 617 N SER A 44 -3.378 -3.550 10.135 1.00 0.00 N ATOM 618 CA SER A 44 -4.431 -2.610 9.768 1.00 0.00 C ATOM 619 C SER A 44 -4.208 -2.069 8.359 1.00 0.00 C ATOM 620 O SER A 44 -3.235 -1.362 8.100 1.00 0.00 O ATOM 621 CB SER A 44 -4.483 -1.454 10.768 1.00 0.00 C ATOM 622 OG SER A 44 -3.179 -1.053 11.152 1.00 0.00 O ATOM 0 H SER A 44 -2.523 -3.462 9.585 1.00 0.00 H new ATOM 0 HA SER A 44 -5.382 -3.141 9.789 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.011 -0.609 10.325 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.048 -1.757 11.649 1.00 0.00 H new ATOM 0 HG SER A 44 -2.622 -0.942 10.353 1.00 0.00 H new ATOM 628 N ALA A 45 -5.119 -2.406 7.451 1.00 0.00 N ATOM 629 CA ALA A 45 -5.025 -1.953 6.069 1.00 0.00 C ATOM 630 C ALA A 45 -6.103 -0.922 5.755 1.00 0.00 C ATOM 631 O ALA A 45 -7.296 -1.195 5.892 1.00 0.00 O ATOM 632 CB ALA A 45 -5.129 -3.136 5.118 1.00 0.00 C ATOM 0 H ALA A 45 -5.931 -2.991 7.648 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.054 -1.477 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.057 -2.783 4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.318 -3.837 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.086 -3.637 5.264 1.00 0.00 H new ATOM 638 N HIS A 46 -5.677 0.264 5.332 1.00 0.00 N ATOM 639 CA HIS A 46 -6.607 1.336 4.998 1.00 0.00 C ATOM 640 C HIS A 46 -6.150 2.082 3.748 1.00 0.00 C ATOM 641 O HIS A 46 -4.959 2.335 3.563 1.00 0.00 O ATOM 642 CB HIS A 46 -6.736 2.311 6.169 1.00 0.00 C ATOM 643 CG HIS A 46 -7.300 1.688 7.408 1.00 0.00 C ATOM 644 ND1 HIS A 46 -6.719 0.608 8.039 1.00 0.00 N ATOM 645 CD2 HIS A 46 -8.398 2.000 8.135 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.437 0.282 9.098 1.00 0.00 C ATOM 647 NE2 HIS A 46 -8.462 1.111 9.179 1.00 0.00 N ATOM 0 H HIS A 46 -4.694 0.507 5.213 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.581 0.889 4.798 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.754 2.726 6.396 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.372 3.144 5.869 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.095 2.800 7.932 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.222 -0.526 9.782 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.184 1.093 9.900 1.00 0.00 H new ATOM 655 N VAL A 47 -7.104 2.431 2.890 1.00 0.00 N ATOM 656 CA VAL A 47 -6.800 3.147 1.658 1.00 0.00 C ATOM 657 C VAL A 47 -7.013 4.647 1.827 1.00 0.00 C ATOM 658 O VAL A 47 -8.146 5.115 1.948 1.00 0.00 O ATOM 659 CB VAL A 47 -7.667 2.645 0.488 1.00 0.00 C ATOM 660 CG1 VAL A 47 -7.366 3.434 -0.777 1.00 0.00 C ATOM 661 CG2 VAL A 47 -7.449 1.157 0.264 1.00 0.00 C ATOM 0 H VAL A 47 -8.094 2.229 3.026 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.751 2.955 1.431 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.715 2.800 0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.988 3.065 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.579 4.489 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.315 3.314 -1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.069 0.819 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.400 0.974 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.721 0.610 1.166 1.00 0.00 H new ATOM 671 N THR A 48 -5.917 5.399 1.834 1.00 0.00 N ATOM 672 CA THR A 48 -5.983 6.846 1.989 1.00 0.00 C ATOM 673 C THR A 48 -6.273 7.529 0.658 1.00 0.00 C ATOM 674 O THR A 48 -5.976 6.987 -0.406 1.00 0.00 O ATOM 675 CB THR A 48 -4.671 7.410 2.568 1.00 0.00 C ATOM 676 OG1 THR A 48 -4.364 6.763 3.808 1.00 0.00 O ATOM 677 CG2 THR A 48 -4.777 8.912 2.786 1.00 0.00 C ATOM 0 H THR A 48 -4.972 5.029 1.734 1.00 0.00 H new ATOM 0 HA THR A 48 -6.796 7.052 2.685 1.00 0.00 H new ATOM 0 HB THR A 48 -3.872 7.218 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.516 6.278 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.839 9.287 3.195 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.981 9.404 1.835 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.587 9.122 3.484 1.00 0.00 H new ATOM 685 N SER A 49 -6.854 8.723 0.724 1.00 0.00 N ATOM 686 CA SER A 49 -7.187 9.479 -0.477 1.00 0.00 C ATOM 687 C SER A 49 -6.234 10.657 -0.659 1.00 0.00 C ATOM 688 O SER A 49 -5.677 11.192 0.300 1.00 0.00 O ATOM 689 CB SER A 49 -8.630 9.982 -0.405 1.00 0.00 C ATOM 690 OG SER A 49 -9.542 8.902 -0.306 1.00 0.00 O ATOM 0 H SER A 49 -7.104 9.187 1.597 1.00 0.00 H new ATOM 0 HA SER A 49 -7.084 8.815 -1.335 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.746 10.640 0.456 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.857 10.574 -1.292 1.00 0.00 H new ATOM 0 HG SER A 49 -9.627 8.631 0.632 1.00 0.00 H new ATOM 696 N PRO A 50 -6.042 11.072 -1.920 1.00 0.00 N ATOM 697 CA PRO A 50 -5.157 12.191 -2.259 1.00 0.00 C ATOM 698 C PRO A 50 -5.718 13.532 -1.799 1.00 0.00 C ATOM 699 O PRO A 50 -5.104 14.578 -2.012 1.00 0.00 O ATOM 700 CB PRO A 50 -5.086 12.136 -3.787 1.00 0.00 C ATOM 701 CG PRO A 50 -6.351 11.466 -4.202 1.00 0.00 C ATOM 702 CD PRO A 50 -6.673 10.481 -3.112 1.00 0.00 C ATOM 0 HA PRO A 50 -4.186 12.107 -1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.008 13.135 -4.216 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.213 11.576 -4.123 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.156 12.191 -4.323 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.230 10.962 -5.161 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.749 10.364 -2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.270 9.493 -3.332 1.00 0.00 H new ATOM 710 N SER A 51 -6.886 13.495 -1.167 1.00 0.00 N ATOM 711 CA SER A 51 -7.531 14.709 -0.680 1.00 0.00 C ATOM 712 C SER A 51 -7.524 14.753 0.845 1.00 0.00 C ATOM 713 O SER A 51 -7.523 15.827 1.446 1.00 0.00 O ATOM 714 CB SER A 51 -8.968 14.791 -1.198 1.00 0.00 C ATOM 715 OG SER A 51 -9.753 13.724 -0.694 1.00 0.00 O ATOM 0 H SER A 51 -7.406 12.637 -0.980 1.00 0.00 H new ATOM 0 HA SER A 51 -6.969 15.565 -1.053 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.410 15.743 -0.904 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.967 14.763 -2.288 1.00 0.00 H new ATOM 0 HG SER A 51 -10.667 13.800 -1.038 1.00 0.00 H new ATOM 721 N GLY A 52 -7.519 13.577 1.465 1.00 0.00 N ATOM 722 CA GLY A 52 -7.513 13.502 2.914 1.00 0.00 C ATOM 723 C GLY A 52 -8.372 12.370 3.440 1.00 0.00 C ATOM 724 O GLY A 52 -8.090 11.808 4.498 1.00 0.00 O ATOM 0 H GLY A 52 -7.519 12.675 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.489 13.369 3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.870 14.446 3.325 1.00 0.00 H new ATOM 728 N ARG A 53 -9.424 12.035 2.701 1.00 0.00 N ATOM 729 CA ARG A 53 -10.329 10.964 3.101 1.00 0.00 C ATOM 730 C ARG A 53 -9.582 9.640 3.229 1.00 0.00 C ATOM 731 O ARG A 53 -8.639 9.373 2.484 1.00 0.00 O ATOM 732 CB ARG A 53 -11.467 10.824 2.088 1.00 0.00 C ATOM 733 CG ARG A 53 -12.665 11.708 2.392 1.00 0.00 C ATOM 734 CD ARG A 53 -12.391 13.161 2.037 1.00 0.00 C ATOM 735 NE ARG A 53 -13.561 14.007 2.249 1.00 0.00 N ATOM 736 CZ ARG A 53 -13.498 15.327 2.392 1.00 0.00 C ATOM 737 NH1 ARG A 53 -12.327 15.947 2.344 1.00 0.00 N ATOM 738 NH2 ARG A 53 -14.608 16.028 2.582 1.00 0.00 N ATOM 0 H ARG A 53 -9.671 12.490 1.822 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.747 11.221 4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.090 11.067 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.791 9.784 2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.531 11.353 1.833 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.915 11.632 3.450 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.562 13.531 2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.081 13.227 0.994 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.477 13.561 2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.472 15.411 2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.281 16.960 2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.510 15.554 2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.559 17.041 2.692 1.00 0.00 H new ATOM 752 N VAL A 54 -10.009 8.815 4.179 1.00 0.00 N ATOM 753 CA VAL A 54 -9.381 7.518 4.405 1.00 0.00 C ATOM 754 C VAL A 54 -10.426 6.415 4.523 1.00 0.00 C ATOM 755 O VAL A 54 -11.462 6.591 5.166 1.00 0.00 O ATOM 756 CB VAL A 54 -8.515 7.528 5.678 1.00 0.00 C ATOM 757 CG1 VAL A 54 -7.858 6.172 5.888 1.00 0.00 C ATOM 758 CG2 VAL A 54 -7.469 8.630 5.602 1.00 0.00 C ATOM 0 H VAL A 54 -10.787 9.021 4.805 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.744 7.320 3.543 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.160 7.729 6.533 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.250 6.198 6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.627 5.407 5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.225 5.938 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.866 8.622 6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.826 8.462 4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.965 9.596 5.504 1.00 0.00 H new ATOM 768 N THR A 55 -10.148 5.274 3.899 1.00 0.00 N ATOM 769 CA THR A 55 -11.064 4.141 3.933 1.00 0.00 C ATOM 770 C THR A 55 -10.411 2.926 4.582 1.00 0.00 C ATOM 771 O THR A 55 -9.186 2.828 4.643 1.00 0.00 O ATOM 772 CB THR A 55 -11.540 3.760 2.519 1.00 0.00 C ATOM 773 OG1 THR A 55 -11.808 4.943 1.757 1.00 0.00 O ATOM 774 CG2 THR A 55 -12.791 2.898 2.583 1.00 0.00 C ATOM 0 H THR A 55 -9.295 5.111 3.364 1.00 0.00 H new ATOM 0 HA THR A 55 -11.925 4.448 4.527 1.00 0.00 H new ATOM 0 HB THR A 55 -10.748 3.188 2.035 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.109 4.692 0.859 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.108 2.642 1.572 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.576 1.985 3.138 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.587 3.449 3.084 1.00 0.00 H new ATOM 782 N GLU A 56 -11.237 2.002 5.064 1.00 0.00 N ATOM 783 CA GLU A 56 -10.737 0.793 5.708 1.00 0.00 C ATOM 784 C GLU A 56 -10.880 -0.413 4.784 1.00 0.00 C ATOM 785 O GLU A 56 -11.944 -0.650 4.214 1.00 0.00 O ATOM 786 CB GLU A 56 -11.488 0.539 7.017 1.00 0.00 C ATOM 787 CG GLU A 56 -11.062 -0.737 7.724 1.00 0.00 C ATOM 788 CD GLU A 56 -12.113 -1.246 8.692 1.00 0.00 C ATOM 789 OE1 GLU A 56 -13.124 -1.811 8.225 1.00 0.00 O ATOM 790 OE2 GLU A 56 -11.925 -1.079 9.915 1.00 0.00 O ATOM 0 H GLU A 56 -12.254 2.068 5.021 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.679 0.938 5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.331 1.385 7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.557 0.490 6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.854 -1.507 6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.133 -0.556 8.264 1.00 0.00 H new ATOM 797 N ALA A 57 -9.799 -1.173 4.643 1.00 0.00 N ATOM 798 CA ALA A 57 -9.802 -2.356 3.791 1.00 0.00 C ATOM 799 C ALA A 57 -9.842 -3.633 4.623 1.00 0.00 C ATOM 800 O ALA A 57 -9.559 -3.612 5.821 1.00 0.00 O ATOM 801 CB ALA A 57 -8.583 -2.355 2.881 1.00 0.00 C ATOM 0 H ALA A 57 -8.910 -0.991 5.108 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.701 -2.327 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.599 -3.244 2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.599 -1.464 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.677 -2.356 3.487 1.00 0.00 H new ATOM 807 N GLU A 58 -10.197 -4.742 3.982 1.00 0.00 N ATOM 808 CA GLU A 58 -10.275 -6.027 4.666 1.00 0.00 C ATOM 809 C GLU A 58 -9.108 -6.927 4.268 1.00 0.00 C ATOM 810 O GLU A 58 -8.605 -6.849 3.147 1.00 0.00 O ATOM 811 CB GLU A 58 -11.600 -6.721 4.344 1.00 0.00 C ATOM 812 CG GLU A 58 -11.833 -7.990 5.147 1.00 0.00 C ATOM 813 CD GLU A 58 -12.212 -7.707 6.588 1.00 0.00 C ATOM 814 OE1 GLU A 58 -12.857 -6.668 6.840 1.00 0.00 O ATOM 815 OE2 GLU A 58 -11.862 -8.525 7.464 1.00 0.00 O ATOM 0 H GLU A 58 -10.435 -4.776 2.991 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.220 -5.843 5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.419 -6.027 4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.625 -6.964 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.623 -8.574 4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.930 -8.600 5.126 1.00 0.00 H new ATOM 822 N ILE A 59 -8.682 -7.778 5.196 1.00 0.00 N ATOM 823 CA ILE A 59 -7.576 -8.692 4.942 1.00 0.00 C ATOM 824 C ILE A 59 -8.034 -10.144 5.015 1.00 0.00 C ATOM 825 O ILE A 59 -8.617 -10.574 6.011 1.00 0.00 O ATOM 826 CB ILE A 59 -6.427 -8.477 5.946 1.00 0.00 C ATOM 827 CG1 ILE A 59 -5.932 -7.031 5.886 1.00 0.00 C ATOM 828 CG2 ILE A 59 -5.289 -9.445 5.663 1.00 0.00 C ATOM 829 CD1 ILE A 59 -5.130 -6.616 7.100 1.00 0.00 C ATOM 0 H ILE A 59 -9.086 -7.853 6.130 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.215 -8.478 3.936 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.801 -8.671 6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.319 -6.902 4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.789 -6.366 5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.485 -9.281 6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.652 -10.469 5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.914 -9.280 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.812 -5.579 6.989 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.747 -6.712 7.994 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.253 -7.257 7.193 1.00 0.00 H new ATOM 841 N VAL A 60 -7.767 -10.898 3.953 1.00 0.00 N ATOM 842 CA VAL A 60 -8.149 -12.303 3.897 1.00 0.00 C ATOM 843 C VAL A 60 -6.947 -13.210 4.134 1.00 0.00 C ATOM 844 O VAL A 60 -5.882 -13.039 3.541 1.00 0.00 O ATOM 845 CB VAL A 60 -8.785 -12.658 2.540 1.00 0.00 C ATOM 846 CG1 VAL A 60 -9.542 -13.974 2.632 1.00 0.00 C ATOM 847 CG2 VAL A 60 -9.703 -11.538 2.073 1.00 0.00 C ATOM 0 H VAL A 60 -7.287 -10.558 3.119 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.882 -12.463 4.687 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.988 -12.775 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.984 -14.208 1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.855 -14.770 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.330 -13.889 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.144 -11.805 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.495 -11.387 2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.129 -10.618 1.965 1.00 0.00 H new ATOM 857 N PRO A 61 -7.119 -14.200 5.023 1.00 0.00 N ATOM 858 CA PRO A 61 -6.059 -15.155 5.359 1.00 0.00 C ATOM 859 C PRO A 61 -5.751 -16.108 4.210 1.00 0.00 C ATOM 860 O PRO A 61 -6.222 -17.245 4.191 1.00 0.00 O ATOM 861 CB PRO A 61 -6.637 -15.922 6.551 1.00 0.00 C ATOM 862 CG PRO A 61 -8.114 -15.808 6.393 1.00 0.00 C ATOM 863 CD PRO A 61 -8.362 -14.463 5.768 1.00 0.00 C ATOM 0 HA PRO A 61 -5.114 -14.656 5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.317 -16.964 6.544 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.305 -15.493 7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.502 -16.608 5.763 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.617 -15.889 7.357 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.230 -14.480 5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.549 -13.698 6.521 1.00 0.00 H new ATOM 871 N MET A 62 -4.958 -15.638 3.253 1.00 0.00 N ATOM 872 CA MET A 62 -4.587 -16.450 2.100 1.00 0.00 C ATOM 873 C MET A 62 -4.030 -17.799 2.543 1.00 0.00 C ATOM 874 O MET A 62 -4.703 -18.824 2.442 1.00 0.00 O ATOM 875 CB MET A 62 -3.555 -15.716 1.242 1.00 0.00 C ATOM 876 CG MET A 62 -4.174 -14.842 0.163 1.00 0.00 C ATOM 877 SD MET A 62 -4.685 -15.785 -1.286 1.00 0.00 S ATOM 878 CE MET A 62 -6.455 -15.513 -1.260 1.00 0.00 C ATOM 0 H MET A 62 -4.560 -14.699 3.253 1.00 0.00 H new ATOM 0 HA MET A 62 -5.484 -16.624 1.506 1.00 0.00 H new ATOM 0 HB2 MET A 62 -2.932 -15.096 1.887 1.00 0.00 H new ATOM 0 HB3 MET A 62 -2.898 -16.448 0.773 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.038 -14.320 0.575 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.455 -14.080 -0.139 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.916 -16.035 -2.099 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.868 -15.893 -0.325 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.660 -14.446 -1.340 1.00 0.00 H new ATOM 888 N GLY A 63 -2.794 -17.792 3.034 1.00 0.00 N ATOM 889 CA GLY A 63 -2.167 -19.021 3.484 1.00 0.00 C ATOM 890 C GLY A 63 -0.848 -18.774 4.190 1.00 0.00 C ATOM 891 O GLY A 63 -0.738 -17.871 5.019 1.00 0.00 O ATOM 0 H GLY A 63 -2.216 -16.957 3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.844 -19.545 4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.001 -19.675 2.628 1.00 0.00 H new ATOM 895 N LYS A 64 0.156 -19.580 3.862 1.00 0.00 N ATOM 896 CA LYS A 64 1.474 -19.447 4.470 1.00 0.00 C ATOM 897 C LYS A 64 2.034 -18.044 4.254 1.00 0.00 C ATOM 898 O LYS A 64 2.357 -17.661 3.130 1.00 0.00 O ATOM 899 CB LYS A 64 2.435 -20.485 3.887 1.00 0.00 C ATOM 900 CG LYS A 64 3.564 -20.866 4.829 1.00 0.00 C ATOM 901 CD LYS A 64 4.131 -22.236 4.495 1.00 0.00 C ATOM 902 CE LYS A 64 5.266 -22.614 5.435 1.00 0.00 C ATOM 903 NZ LYS A 64 4.770 -22.929 6.803 1.00 0.00 N ATOM 0 H LYS A 64 0.082 -20.333 3.178 1.00 0.00 H new ATOM 0 HA LYS A 64 1.370 -19.618 5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.873 -21.382 3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.861 -20.095 2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.356 -20.119 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.199 -20.863 5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.340 -22.984 4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.492 -22.241 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.798 -23.477 5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.982 -21.794 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.564 -23.247 7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.344 -22.078 7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.055 -23.683 6.748 1.00 0.00 H new ATOM 917 N ASN A 65 2.146 -17.283 5.338 1.00 0.00 N ATOM 918 CA ASN A 65 2.667 -15.923 5.266 1.00 0.00 C ATOM 919 C ASN A 65 2.112 -15.191 4.048 1.00 0.00 C ATOM 920 O ASN A 65 2.804 -14.384 3.427 1.00 0.00 O ATOM 921 CB ASN A 65 4.196 -15.943 5.210 1.00 0.00 C ATOM 922 CG ASN A 65 4.720 -16.670 3.987 1.00 0.00 C ATOM 923 OD1 ASN A 65 4.421 -16.297 2.853 1.00 0.00 O ATOM 924 ND2 ASN A 65 5.507 -17.716 4.213 1.00 0.00 N ATOM 0 H ASN A 65 1.883 -17.585 6.276 1.00 0.00 H new ATOM 0 HA ASN A 65 2.349 -15.391 6.163 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.570 -14.919 5.209 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.584 -16.423 6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.890 -18.245 3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.729 -17.990 5.170 1.00 0.00 H new ATOM 931 N SER A 66 0.858 -15.478 3.712 1.00 0.00 N ATOM 932 CA SER A 66 0.210 -14.850 2.567 1.00 0.00 C ATOM 933 C SER A 66 -1.067 -14.132 2.991 1.00 0.00 C ATOM 934 O SER A 66 -1.812 -14.618 3.844 1.00 0.00 O ATOM 935 CB SER A 66 -0.110 -15.897 1.498 1.00 0.00 C ATOM 936 OG SER A 66 -0.869 -15.333 0.443 1.00 0.00 O ATOM 0 H SER A 66 0.271 -16.142 4.217 1.00 0.00 H new ATOM 0 HA SER A 66 0.898 -14.114 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.817 -16.312 1.102 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.663 -16.722 1.947 1.00 0.00 H new ATOM 0 HG SER A 66 -1.073 -16.025 -0.220 1.00 0.00 H new ATOM 942 N HIS A 67 -1.314 -12.973 2.390 1.00 0.00 N ATOM 943 CA HIS A 67 -2.502 -12.187 2.705 1.00 0.00 C ATOM 944 C HIS A 67 -3.034 -11.483 1.460 1.00 0.00 C ATOM 945 O HIS A 67 -2.263 -11.062 0.596 1.00 0.00 O ATOM 946 CB HIS A 67 -2.186 -11.157 3.790 1.00 0.00 C ATOM 947 CG HIS A 67 -1.979 -11.760 5.145 1.00 0.00 C ATOM 948 ND1 HIS A 67 -2.956 -11.780 6.118 1.00 0.00 N ATOM 949 CD2 HIS A 67 -0.898 -12.369 5.688 1.00 0.00 C ATOM 950 CE1 HIS A 67 -2.486 -12.374 7.200 1.00 0.00 C ATOM 951 NE2 HIS A 67 -1.239 -12.740 6.965 1.00 0.00 N ATOM 0 H HIS A 67 -0.708 -12.557 1.683 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.270 -12.868 3.073 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.290 -10.605 3.506 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.001 -10.435 3.843 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.055 -12.532 5.206 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.029 -12.533 8.120 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -0.628 -13.221 7.625 1.00 0.00 H new ATOM 959 N CYS A 68 -4.354 -11.362 1.373 1.00 0.00 N ATOM 960 CA CYS A 68 -4.988 -10.711 0.232 1.00 0.00 C ATOM 961 C CYS A 68 -6.006 -9.674 0.695 1.00 0.00 C ATOM 962 O CYS A 68 -6.946 -9.993 1.424 1.00 0.00 O ATOM 963 CB CYS A 68 -5.670 -11.750 -0.660 1.00 0.00 C ATOM 964 SG CYS A 68 -6.179 -11.116 -2.275 1.00 0.00 S ATOM 0 H CYS A 68 -5.006 -11.706 2.078 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.213 -10.202 -0.342 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.989 -12.588 -0.809 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.546 -12.139 -0.142 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.743 -12.068 -2.957 1.00 0.00 H new ATOM 970 N VAL A 69 -5.812 -8.430 0.268 1.00 0.00 N ATOM 971 CA VAL A 69 -6.713 -7.345 0.639 1.00 0.00 C ATOM 972 C VAL A 69 -7.646 -6.987 -0.513 1.00 0.00 C ATOM 973 O VAL A 69 -7.197 -6.683 -1.618 1.00 0.00 O ATOM 974 CB VAL A 69 -5.932 -6.087 1.062 1.00 0.00 C ATOM 975 CG1 VAL A 69 -6.866 -5.064 1.689 1.00 0.00 C ATOM 976 CG2 VAL A 69 -4.809 -6.454 2.020 1.00 0.00 C ATOM 0 H VAL A 69 -5.039 -8.149 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.303 -7.699 1.484 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.488 -5.640 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.296 -4.182 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.631 -4.779 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.342 -5.497 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.268 -5.553 2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.228 -6.925 2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.125 -7.147 1.530 1.00 0.00 H new ATOM 986 N ARG A 70 -8.947 -7.026 -0.246 1.00 0.00 N ATOM 987 CA ARG A 70 -9.945 -6.707 -1.261 1.00 0.00 C ATOM 988 C ARG A 70 -10.691 -5.424 -0.905 1.00 0.00 C ATOM 989 O ARG A 70 -11.312 -5.328 0.154 1.00 0.00 O ATOM 990 CB ARG A 70 -10.937 -7.861 -1.412 1.00 0.00 C ATOM 991 CG ARG A 70 -11.604 -8.266 -0.107 1.00 0.00 C ATOM 992 CD ARG A 70 -12.482 -9.494 -0.288 1.00 0.00 C ATOM 993 NE ARG A 70 -13.521 -9.580 0.735 1.00 0.00 N ATOM 994 CZ ARG A 70 -14.318 -10.631 0.887 1.00 0.00 C ATOM 995 NH1 ARG A 70 -14.196 -11.681 0.086 1.00 0.00 N ATOM 996 NH2 ARG A 70 -15.240 -10.635 1.841 1.00 0.00 N ATOM 0 H ARG A 70 -9.335 -7.275 0.664 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.428 -6.556 -2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.706 -7.576 -2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.417 -8.724 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.841 -8.470 0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.207 -7.438 0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.946 -9.466 -1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.863 -10.391 -0.252 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.641 -8.789 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.489 -11.682 -0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.810 -12.487 0.205 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.338 -9.830 2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.851 -11.443 1.956 1.00 0.00 H new ATOM 1010 N PHE A 71 -10.624 -4.441 -1.796 1.00 0.00 N ATOM 1011 CA PHE A 71 -11.291 -3.163 -1.576 1.00 0.00 C ATOM 1012 C PHE A 71 -11.511 -2.429 -2.896 1.00 0.00 C ATOM 1013 O PHE A 71 -10.957 -2.807 -3.929 1.00 0.00 O ATOM 1014 CB PHE A 71 -10.469 -2.291 -0.625 1.00 0.00 C ATOM 1015 CG PHE A 71 -9.055 -2.073 -1.084 1.00 0.00 C ATOM 1016 CD1 PHE A 71 -8.783 -1.255 -2.168 1.00 0.00 C ATOM 1017 CD2 PHE A 71 -7.998 -2.686 -0.430 1.00 0.00 C ATOM 1018 CE1 PHE A 71 -7.483 -1.053 -2.593 1.00 0.00 C ATOM 1019 CE2 PHE A 71 -6.696 -2.488 -0.850 1.00 0.00 C ATOM 1020 CZ PHE A 71 -6.438 -1.670 -1.932 1.00 0.00 C ATOM 0 H PHE A 71 -10.115 -4.505 -2.677 1.00 0.00 H new ATOM 0 HA PHE A 71 -12.263 -3.362 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.960 -1.324 -0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -10.455 -2.756 0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.596 -0.769 -2.687 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.194 -3.326 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.284 -0.414 -3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.881 -2.973 -0.332 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.421 -1.513 -2.261 1.00 0.00 H new ATOM 1030 N VAL A 72 -12.323 -1.378 -2.854 1.00 0.00 N ATOM 1031 CA VAL A 72 -12.616 -0.590 -4.045 1.00 0.00 C ATOM 1032 C VAL A 72 -11.857 0.732 -4.030 1.00 0.00 C ATOM 1033 O VAL A 72 -12.310 1.730 -3.469 1.00 0.00 O ATOM 1034 CB VAL A 72 -14.124 -0.303 -4.171 1.00 0.00 C ATOM 1035 CG1 VAL A 72 -14.439 0.314 -5.525 1.00 0.00 C ATOM 1036 CG2 VAL A 72 -14.929 -1.575 -3.955 1.00 0.00 C ATOM 0 H VAL A 72 -12.790 -1.052 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 72 -12.293 -1.180 -4.903 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.405 0.413 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -15.509 0.510 -5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.891 1.250 -5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -14.143 -0.375 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.992 -1.353 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -14.646 -2.316 -4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.726 -1.969 -2.959 1.00 0.00 H new ATOM 1046 N PRO A 73 -10.674 0.742 -4.662 1.00 0.00 N ATOM 1047 CA PRO A 73 -9.827 1.936 -4.737 1.00 0.00 C ATOM 1048 C PRO A 73 -10.425 3.017 -5.631 1.00 0.00 C ATOM 1049 O PRO A 73 -10.093 3.110 -6.813 1.00 0.00 O ATOM 1050 CB PRO A 73 -8.522 1.408 -5.336 1.00 0.00 C ATOM 1051 CG PRO A 73 -8.921 0.196 -6.105 1.00 0.00 C ATOM 1052 CD PRO A 73 -10.073 -0.411 -5.353 1.00 0.00 C ATOM 0 HA PRO A 73 -9.704 2.410 -3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.054 2.151 -5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.800 1.163 -4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.213 0.458 -7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.092 -0.507 -6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.783 -0.892 -6.026 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.737 -1.171 -4.648 1.00 0.00 H new ATOM 1060 N GLN A 74 -11.308 3.829 -5.061 1.00 0.00 N ATOM 1061 CA GLN A 74 -11.952 4.903 -5.808 1.00 0.00 C ATOM 1062 C GLN A 74 -11.594 6.265 -5.223 1.00 0.00 C ATOM 1063 O GLN A 74 -11.986 6.592 -4.103 1.00 0.00 O ATOM 1064 CB GLN A 74 -13.470 4.716 -5.804 1.00 0.00 C ATOM 1065 CG GLN A 74 -13.980 3.846 -6.941 1.00 0.00 C ATOM 1066 CD GLN A 74 -15.374 3.308 -6.685 1.00 0.00 C ATOM 1067 OE1 GLN A 74 -15.831 3.255 -5.544 1.00 0.00 O ATOM 1068 NE2 GLN A 74 -16.058 2.905 -7.750 1.00 0.00 N ATOM 0 H GLN A 74 -11.594 3.764 -4.084 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.591 4.864 -6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.770 4.272 -4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.948 5.694 -5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.982 4.426 -7.864 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.295 3.012 -7.090 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.640 2.967 -8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -17.002 2.534 -7.640 1.00 0.00 H new ATOM 1077 N GLU A 75 -10.847 7.054 -5.988 1.00 0.00 N ATOM 1078 CA GLU A 75 -10.435 8.381 -5.544 1.00 0.00 C ATOM 1079 C GLU A 75 -10.422 9.366 -6.709 1.00 0.00 C ATOM 1080 O GLU A 75 -10.737 9.006 -7.843 1.00 0.00 O ATOM 1081 CB GLU A 75 -9.049 8.319 -4.899 1.00 0.00 C ATOM 1082 CG GLU A 75 -9.084 8.040 -3.406 1.00 0.00 C ATOM 1083 CD GLU A 75 -9.176 6.559 -3.091 1.00 0.00 C ATOM 1084 OE1 GLU A 75 -9.208 5.752 -4.044 1.00 0.00 O ATOM 1085 OE2 GLU A 75 -9.216 6.207 -1.894 1.00 0.00 O ATOM 0 H GLU A 75 -10.515 6.798 -6.918 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.157 8.729 -4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.463 7.543 -5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.535 9.264 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.187 8.451 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.937 8.555 -2.964 1.00 0.00 H new ATOM 1092 N MET A 76 -10.056 10.610 -6.421 1.00 0.00 N ATOM 1093 CA MET A 76 -10.002 11.647 -7.444 1.00 0.00 C ATOM 1094 C MET A 76 -8.567 11.882 -7.905 1.00 0.00 C ATOM 1095 O MET A 76 -8.291 12.817 -8.655 1.00 0.00 O ATOM 1096 CB MET A 76 -10.599 12.952 -6.912 1.00 0.00 C ATOM 1097 CG MET A 76 -12.102 12.889 -6.698 1.00 0.00 C ATOM 1098 SD MET A 76 -13.033 13.331 -8.177 1.00 0.00 S ATOM 1099 CE MET A 76 -12.852 15.113 -8.171 1.00 0.00 C ATOM 0 H MET A 76 -9.792 10.925 -5.487 1.00 0.00 H new ATOM 0 HA MET A 76 -10.589 11.309 -8.298 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.116 13.205 -5.968 1.00 0.00 H new ATOM 0 HB3 MET A 76 -10.373 13.757 -7.611 1.00 0.00 H new ATOM 0 HG2 MET A 76 -12.379 11.882 -6.387 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.378 13.561 -5.885 1.00 0.00 H new ATOM 0 HE1 MET A 76 -13.771 15.573 -8.534 1.00 0.00 H new ATOM 0 HE2 MET A 76 -12.651 15.455 -7.156 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.024 15.397 -8.820 1.00 0.00 H new ATOM 1109 N GLY A 77 -7.657 11.027 -7.450 1.00 0.00 N ATOM 1110 CA GLY A 77 -6.261 11.159 -7.826 1.00 0.00 C ATOM 1111 C GLY A 77 -5.456 9.912 -7.516 1.00 0.00 C ATOM 1112 O GLY A 77 -5.928 8.793 -7.720 1.00 0.00 O ATOM 0 H GLY A 77 -7.861 10.245 -6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.194 11.375 -8.892 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.825 12.009 -7.301 1.00 0.00 H new ATOM 1116 N VAL A 78 -4.237 10.104 -7.022 1.00 0.00 N ATOM 1117 CA VAL A 78 -3.364 8.986 -6.684 1.00 0.00 C ATOM 1118 C VAL A 78 -3.843 8.278 -5.422 1.00 0.00 C ATOM 1119 O VAL A 78 -4.234 8.920 -4.447 1.00 0.00 O ATOM 1120 CB VAL A 78 -1.911 9.451 -6.479 1.00 0.00 C ATOM 1121 CG1 VAL A 78 -1.844 10.546 -5.425 1.00 0.00 C ATOM 1122 CG2 VAL A 78 -1.025 8.275 -6.094 1.00 0.00 C ATOM 0 H VAL A 78 -3.832 11.023 -6.847 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.400 8.291 -7.523 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.543 9.862 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.809 10.862 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.445 11.397 -5.746 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.230 10.165 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.001 8.622 -5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.390 7.833 -5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.049 7.527 -6.886 1.00 0.00 H new ATOM 1132 N HIS A 79 -3.810 6.949 -5.447 1.00 0.00 N ATOM 1133 CA HIS A 79 -4.239 6.152 -4.303 1.00 0.00 C ATOM 1134 C HIS A 79 -3.045 5.745 -3.445 1.00 0.00 C ATOM 1135 O HIS A 79 -1.949 5.514 -3.957 1.00 0.00 O ATOM 1136 CB HIS A 79 -4.990 4.907 -4.776 1.00 0.00 C ATOM 1137 CG HIS A 79 -6.218 5.216 -5.576 1.00 0.00 C ATOM 1138 ND1 HIS A 79 -6.260 6.201 -6.540 1.00 0.00 N ATOM 1139 CD2 HIS A 79 -7.453 4.662 -5.553 1.00 0.00 C ATOM 1140 CE1 HIS A 79 -7.468 6.240 -7.074 1.00 0.00 C ATOM 1141 NE2 HIS A 79 -8.211 5.316 -6.492 1.00 0.00 N ATOM 0 H HIS A 79 -3.491 6.402 -6.246 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.908 6.763 -3.696 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.319 4.295 -5.378 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.272 4.311 -3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.781 3.855 -4.914 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.793 6.913 -7.854 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -9.189 5.120 -6.706 1.00 0.00 H new ATOM 1149 N THR A 80 -3.264 5.660 -2.137 1.00 0.00 N ATOM 1150 CA THR A 80 -2.206 5.283 -1.208 1.00 0.00 C ATOM 1151 C THR A 80 -2.714 4.287 -0.171 1.00 0.00 C ATOM 1152 O THR A 80 -3.627 4.587 0.598 1.00 0.00 O ATOM 1153 CB THR A 80 -1.632 6.514 -0.481 1.00 0.00 C ATOM 1154 OG1 THR A 80 -1.708 7.664 -1.331 1.00 0.00 O ATOM 1155 CG2 THR A 80 -0.186 6.275 -0.072 1.00 0.00 C ATOM 0 H THR A 80 -4.165 5.847 -1.697 1.00 0.00 H new ATOM 0 HA THR A 80 -1.417 4.818 -1.799 1.00 0.00 H new ATOM 0 HB THR A 80 -2.224 6.687 0.418 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.343 8.443 -0.861 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.198 7.158 0.440 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.134 5.416 0.597 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.416 6.080 -0.960 1.00 0.00 H new ATOM 1163 N VAL A 81 -2.116 3.100 -0.156 1.00 0.00 N ATOM 1164 CA VAL A 81 -2.506 2.060 0.788 1.00 0.00 C ATOM 1165 C VAL A 81 -1.661 2.122 2.055 1.00 0.00 C ATOM 1166 O VAL A 81 -0.485 1.758 2.048 1.00 0.00 O ATOM 1167 CB VAL A 81 -2.374 0.658 0.164 1.00 0.00 C ATOM 1168 CG1 VAL A 81 -2.879 -0.405 1.128 1.00 0.00 C ATOM 1169 CG2 VAL A 81 -3.124 0.590 -1.157 1.00 0.00 C ATOM 0 H VAL A 81 -1.360 2.835 -0.787 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.550 2.240 1.043 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.319 0.465 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.778 -1.389 0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.294 -0.371 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.928 -0.218 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.020 -0.408 -1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.179 0.804 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.711 1.325 -1.848 1.00 0.00 H new ATOM 1179 N SER A 82 -2.269 2.585 3.143 1.00 0.00 N ATOM 1180 CA SER A 82 -1.571 2.698 4.419 1.00 0.00 C ATOM 1181 C SER A 82 -1.675 1.399 5.212 1.00 0.00 C ATOM 1182 O SER A 82 -2.765 0.987 5.610 1.00 0.00 O ATOM 1183 CB SER A 82 -2.145 3.856 5.237 1.00 0.00 C ATOM 1184 OG SER A 82 -1.871 5.102 4.620 1.00 0.00 O ATOM 0 H SER A 82 -3.243 2.888 3.167 1.00 0.00 H new ATOM 0 HA SER A 82 -0.519 2.894 4.214 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.222 3.730 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.720 3.842 6.240 1.00 0.00 H new ATOM 0 HG SER A 82 -2.236 5.827 5.170 1.00 0.00 H new ATOM 1190 N VAL A 83 -0.533 0.758 5.438 1.00 0.00 N ATOM 1191 CA VAL A 83 -0.494 -0.494 6.184 1.00 0.00 C ATOM 1192 C VAL A 83 0.444 -0.391 7.382 1.00 0.00 C ATOM 1193 O VAL A 83 1.655 -0.231 7.225 1.00 0.00 O ATOM 1194 CB VAL A 83 -0.042 -1.665 5.292 1.00 0.00 C ATOM 1195 CG1 VAL A 83 -0.227 -2.990 6.016 1.00 0.00 C ATOM 1196 CG2 VAL A 83 -0.804 -1.657 3.976 1.00 0.00 C ATOM 0 H VAL A 83 0.378 1.085 5.115 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.508 -0.685 6.535 1.00 0.00 H new ATOM 0 HB VAL A 83 1.019 -1.543 5.072 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.098 -3.806 5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.368 -2.992 6.929 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.279 -3.123 6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.472 -2.491 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.872 -1.754 4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.615 -0.720 3.452 1.00 0.00 H new ATOM 1206 N LYS A 84 -0.123 -0.483 8.580 1.00 0.00 N ATOM 1207 CA LYS A 84 0.661 -0.402 9.806 1.00 0.00 C ATOM 1208 C LYS A 84 0.520 -1.679 10.628 1.00 0.00 C ATOM 1209 O LYS A 84 -0.390 -2.478 10.401 1.00 0.00 O ATOM 1210 CB LYS A 84 0.221 0.804 10.639 1.00 0.00 C ATOM 1211 CG LYS A 84 0.151 2.098 9.846 1.00 0.00 C ATOM 1212 CD LYS A 84 -0.408 3.236 10.684 1.00 0.00 C ATOM 1213 CE LYS A 84 -1.125 4.263 9.821 1.00 0.00 C ATOM 1214 NZ LYS A 84 -2.152 5.016 10.593 1.00 0.00 N ATOM 0 H LYS A 84 -1.124 -0.614 8.728 1.00 0.00 H new ATOM 0 HA LYS A 84 1.709 -0.282 9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.759 0.599 11.071 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.915 0.934 11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.147 2.362 9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.474 1.953 8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.099 2.837 11.427 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.402 3.720 11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.397 4.961 9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.600 3.761 8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.618 5.706 9.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.861 4.353 10.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.695 5.516 11.382 1.00 0.00 H new ATOM 1228 N TYR A 85 1.423 -1.865 11.584 1.00 0.00 N ATOM 1229 CA TYR A 85 1.399 -3.046 12.439 1.00 0.00 C ATOM 1230 C TYR A 85 1.473 -2.654 13.911 1.00 0.00 C ATOM 1231 O TYR A 85 2.558 -2.453 14.458 1.00 0.00 O ATOM 1232 CB TYR A 85 2.560 -3.979 12.089 1.00 0.00 C ATOM 1233 CG TYR A 85 2.785 -5.074 13.107 1.00 0.00 C ATOM 1234 CD1 TYR A 85 1.863 -6.101 13.267 1.00 0.00 C ATOM 1235 CD2 TYR A 85 3.920 -5.081 13.909 1.00 0.00 C ATOM 1236 CE1 TYR A 85 2.064 -7.103 14.196 1.00 0.00 C ATOM 1237 CE2 TYR A 85 4.129 -6.080 14.840 1.00 0.00 C ATOM 1238 CZ TYR A 85 3.199 -7.089 14.980 1.00 0.00 C ATOM 1239 OH TYR A 85 3.403 -8.085 15.907 1.00 0.00 O ATOM 0 H TYR A 85 2.181 -1.213 11.787 1.00 0.00 H new ATOM 0 HA TYR A 85 0.458 -3.568 12.268 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.370 -4.432 11.116 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.472 -3.390 11.994 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.974 -6.116 12.654 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.650 -4.293 13.803 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.336 -7.893 14.308 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.016 -6.071 15.455 1.00 0.00 H new ATOM 0 HH TYR A 85 4.250 -7.928 16.375 1.00 0.00 H new ATOM 1249 N ARG A 86 0.311 -2.548 14.548 1.00 0.00 N ATOM 1250 CA ARG A 86 0.243 -2.180 15.957 1.00 0.00 C ATOM 1251 C ARG A 86 0.768 -0.764 16.175 1.00 0.00 C ATOM 1252 O ARG A 86 1.240 -0.426 17.260 1.00 0.00 O ATOM 1253 CB ARG A 86 1.045 -3.169 16.804 1.00 0.00 C ATOM 1254 CG ARG A 86 0.559 -4.605 16.688 1.00 0.00 C ATOM 1255 CD ARG A 86 1.477 -5.566 17.427 1.00 0.00 C ATOM 1256 NE ARG A 86 1.220 -5.572 18.865 1.00 0.00 N ATOM 1257 CZ ARG A 86 1.751 -4.695 19.710 1.00 0.00 C ATOM 1258 NH1 ARG A 86 2.564 -3.748 19.264 1.00 0.00 N ATOM 1259 NH2 ARG A 86 1.469 -4.766 21.005 1.00 0.00 N ATOM 0 H ARG A 86 -0.596 -2.712 14.111 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.802 -2.213 16.265 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.092 -3.124 16.506 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.997 -2.862 17.849 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.451 -4.682 17.091 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.505 -4.888 15.637 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.343 -6.572 17.031 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.515 -5.288 17.245 1.00 0.00 H new ATOM 0 HE ARG A 86 0.599 -6.289 19.241 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.784 -3.691 18.270 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.970 -3.076 19.915 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.844 -5.494 21.352 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.877 -4.093 21.653 1.00 0.00 H new ATOM 1273 N GLY A 87 0.683 0.060 15.135 1.00 0.00 N ATOM 1274 CA GLY A 87 1.155 1.429 15.233 1.00 0.00 C ATOM 1275 C GLY A 87 2.547 1.605 14.661 1.00 0.00 C ATOM 1276 O GLY A 87 3.390 2.273 15.260 1.00 0.00 O ATOM 0 H GLY A 87 0.296 -0.196 14.227 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.464 2.087 14.707 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.154 1.736 16.279 1.00 0.00 H new ATOM 1280 N GLN A 88 2.789 1.005 13.500 1.00 0.00 N ATOM 1281 CA GLN A 88 4.090 1.097 12.849 1.00 0.00 C ATOM 1282 C GLN A 88 3.984 0.750 11.368 1.00 0.00 C ATOM 1283 O GLN A 88 3.644 -0.378 11.007 1.00 0.00 O ATOM 1284 CB GLN A 88 5.093 0.166 13.532 1.00 0.00 C ATOM 1285 CG GLN A 88 5.517 0.638 14.914 1.00 0.00 C ATOM 1286 CD GLN A 88 6.873 0.097 15.325 1.00 0.00 C ATOM 1287 OE1 GLN A 88 7.549 -0.574 14.544 1.00 0.00 O ATOM 1288 NE2 GLN A 88 7.277 0.386 16.556 1.00 0.00 N ATOM 0 H GLN A 88 2.101 0.450 12.991 1.00 0.00 H new ATOM 0 HA GLN A 88 4.440 2.125 12.938 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.655 -0.829 13.615 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.977 0.073 12.902 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.545 1.728 14.929 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.770 0.328 15.645 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.684 0.945 17.169 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.180 0.049 16.889 1.00 0.00 H new ATOM 1297 N HIS A 89 4.275 1.726 10.514 1.00 0.00 N ATOM 1298 CA HIS A 89 4.213 1.523 9.071 1.00 0.00 C ATOM 1299 C HIS A 89 5.161 0.410 8.637 1.00 0.00 C ATOM 1300 O HIS A 89 6.377 0.521 8.792 1.00 0.00 O ATOM 1301 CB HIS A 89 4.559 2.819 8.337 1.00 0.00 C ATOM 1302 CG HIS A 89 3.369 3.685 8.058 1.00 0.00 C ATOM 1303 ND1 HIS A 89 2.548 3.507 6.964 1.00 0.00 N ATOM 1304 CD2 HIS A 89 2.863 4.740 8.739 1.00 0.00 C ATOM 1305 CE1 HIS A 89 1.590 4.416 6.984 1.00 0.00 C ATOM 1306 NE2 HIS A 89 1.758 5.176 8.051 1.00 0.00 N ATOM 0 H HIS A 89 4.556 2.665 10.796 1.00 0.00 H new ATOM 0 HA HIS A 89 3.195 1.229 8.814 1.00 0.00 H new ATOM 0 HB2 HIS A 89 5.277 3.383 8.932 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.049 2.574 7.395 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.256 5.160 9.653 1.00 0.00 H new ATOM 0 HE1 HIS A 89 0.803 4.520 6.252 1.00 0.00 H new ATOM 0 HE2 HIS A 89 1.163 5.960 8.320 1.00 0.00 H new ATOM 1314 N VAL A 90 4.597 -0.664 8.093 1.00 0.00 N ATOM 1315 CA VAL A 90 5.392 -1.798 7.636 1.00 0.00 C ATOM 1316 C VAL A 90 6.400 -1.370 6.576 1.00 0.00 C ATOM 1317 O VAL A 90 6.382 -0.230 6.109 1.00 0.00 O ATOM 1318 CB VAL A 90 4.500 -2.914 7.061 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.560 -3.450 8.129 1.00 0.00 C ATOM 1320 CG2 VAL A 90 3.719 -2.404 5.858 1.00 0.00 C ATOM 0 H VAL A 90 3.592 -0.773 7.958 1.00 0.00 H new ATOM 0 HA VAL A 90 5.925 -2.182 8.506 1.00 0.00 H new ATOM 0 HB VAL A 90 5.139 -3.733 6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.938 -4.238 7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.143 -3.855 8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.925 -2.643 8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.094 -3.205 5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.089 -1.568 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.414 -2.073 5.086 1.00 0.00 H new ATOM 1330 N THR A 91 7.280 -2.292 6.197 1.00 0.00 N ATOM 1331 CA THR A 91 8.297 -2.011 5.192 1.00 0.00 C ATOM 1332 C THR A 91 7.663 -1.578 3.875 1.00 0.00 C ATOM 1333 O THR A 91 6.778 -2.252 3.350 1.00 0.00 O ATOM 1334 CB THR A 91 9.192 -3.239 4.939 1.00 0.00 C ATOM 1335 OG1 THR A 91 9.712 -3.730 6.179 1.00 0.00 O ATOM 1336 CG2 THR A 91 10.340 -2.889 4.004 1.00 0.00 C ATOM 0 H THR A 91 7.308 -3.240 6.572 1.00 0.00 H new ATOM 0 HA THR A 91 8.910 -1.198 5.582 1.00 0.00 H new ATOM 0 HB THR A 91 8.585 -4.013 4.469 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.278 -4.512 6.010 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.958 -3.772 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.940 -2.544 3.050 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.945 -2.100 4.450 1.00 0.00 H new ATOM 1344 N GLY A 92 8.123 -0.448 3.345 1.00 0.00 N ATOM 1345 CA GLY A 92 7.590 0.054 2.093 1.00 0.00 C ATOM 1346 C GLY A 92 6.215 0.672 2.254 1.00 0.00 C ATOM 1347 O GLY A 92 5.471 0.811 1.283 1.00 0.00 O ATOM 0 H GLY A 92 8.855 0.128 3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.273 0.798 1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.536 -0.761 1.372 1.00 0.00 H new ATOM 1351 N SER A 93 5.874 1.041 3.485 1.00 0.00 N ATOM 1352 CA SER A 93 4.577 1.641 3.772 1.00 0.00 C ATOM 1353 C SER A 93 4.722 3.129 4.077 1.00 0.00 C ATOM 1354 O SER A 93 5.676 3.566 4.721 1.00 0.00 O ATOM 1355 CB SER A 93 3.911 0.930 4.951 1.00 0.00 C ATOM 1356 OG SER A 93 2.500 1.024 4.873 1.00 0.00 O ATOM 0 H SER A 93 6.479 0.935 4.300 1.00 0.00 H new ATOM 0 HA SER A 93 3.949 1.528 2.888 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.208 -0.119 4.962 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.257 1.369 5.887 1.00 0.00 H new ATOM 0 HG SER A 93 2.191 1.772 5.426 1.00 0.00 H new ATOM 1362 N PRO A 94 3.754 3.927 3.603 1.00 0.00 N ATOM 1363 CA PRO A 94 2.614 3.418 2.834 1.00 0.00 C ATOM 1364 C PRO A 94 3.022 2.927 1.450 1.00 0.00 C ATOM 1365 O PRO A 94 4.209 2.867 1.126 1.00 0.00 O ATOM 1366 CB PRO A 94 1.692 4.634 2.720 1.00 0.00 C ATOM 1367 CG PRO A 94 2.598 5.810 2.846 1.00 0.00 C ATOM 1368 CD PRO A 94 3.697 5.388 3.781 1.00 0.00 C ATOM 0 HA PRO A 94 2.149 2.557 3.315 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.163 4.642 1.767 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.935 4.632 3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.001 6.098 1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.063 6.675 3.238 1.00 0.00 H new ATOM 0 HD2 PRO A 94 4.645 5.861 3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.473 5.659 4.813 1.00 0.00 H new ATOM 1376 N PHE A 95 2.032 2.577 0.636 1.00 0.00 N ATOM 1377 CA PHE A 95 2.288 2.090 -0.715 1.00 0.00 C ATOM 1378 C PHE A 95 1.545 2.934 -1.747 1.00 0.00 C ATOM 1379 O PHE A 95 0.318 2.900 -1.822 1.00 0.00 O ATOM 1380 CB PHE A 95 1.868 0.624 -0.840 1.00 0.00 C ATOM 1381 CG PHE A 95 2.548 -0.280 0.148 1.00 0.00 C ATOM 1382 CD1 PHE A 95 3.817 -0.775 -0.105 1.00 0.00 C ATOM 1383 CD2 PHE A 95 1.917 -0.637 1.329 1.00 0.00 C ATOM 1384 CE1 PHE A 95 4.446 -1.607 0.802 1.00 0.00 C ATOM 1385 CE2 PHE A 95 2.541 -1.468 2.240 1.00 0.00 C ATOM 1386 CZ PHE A 95 3.806 -1.955 1.976 1.00 0.00 C ATOM 0 H PHE A 95 1.045 2.621 0.888 1.00 0.00 H new ATOM 0 HA PHE A 95 3.358 2.171 -0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.789 0.551 -0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.087 0.276 -1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.321 -0.508 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.927 -0.262 1.540 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.436 -1.984 0.593 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.040 -1.736 3.158 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.294 -2.607 2.686 1.00 0.00 H new ATOM 1396 N GLN A 96 2.300 3.688 -2.539 1.00 0.00 N ATOM 1397 CA GLN A 96 1.713 4.542 -3.566 1.00 0.00 C ATOM 1398 C GLN A 96 1.560 3.784 -4.881 1.00 0.00 C ATOM 1399 O GLN A 96 2.468 3.072 -5.308 1.00 0.00 O ATOM 1400 CB GLN A 96 2.576 5.787 -3.778 1.00 0.00 C ATOM 1401 CG GLN A 96 1.780 7.014 -4.192 1.00 0.00 C ATOM 1402 CD GLN A 96 2.638 8.064 -4.871 1.00 0.00 C ATOM 1403 OE1 GLN A 96 2.845 8.023 -6.084 1.00 0.00 O ATOM 1404 NE2 GLN A 96 3.142 9.013 -4.090 1.00 0.00 N ATOM 0 H GLN A 96 3.318 3.725 -2.490 1.00 0.00 H new ATOM 0 HA GLN A 96 0.723 4.849 -3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.114 6.007 -2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.324 5.575 -4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.979 6.712 -4.867 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.307 7.450 -3.312 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.945 9.008 -3.089 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.726 9.747 -4.491 1.00 0.00 H new ATOM 1413 N PHE A 97 0.404 3.942 -5.518 1.00 0.00 N ATOM 1414 CA PHE A 97 0.131 3.272 -6.784 1.00 0.00 C ATOM 1415 C PHE A 97 -0.879 4.062 -7.610 1.00 0.00 C ATOM 1416 O PHE A 97 -1.889 4.538 -7.090 1.00 0.00 O ATOM 1417 CB PHE A 97 -0.393 1.857 -6.533 1.00 0.00 C ATOM 1418 CG PHE A 97 -1.755 1.826 -5.902 1.00 0.00 C ATOM 1419 CD1 PHE A 97 -1.926 2.180 -4.573 1.00 0.00 C ATOM 1420 CD2 PHE A 97 -2.866 1.442 -6.636 1.00 0.00 C ATOM 1421 CE1 PHE A 97 -3.178 2.151 -3.989 1.00 0.00 C ATOM 1422 CE2 PHE A 97 -4.121 1.412 -6.058 1.00 0.00 C ATOM 1423 CZ PHE A 97 -4.277 1.768 -4.733 1.00 0.00 C ATOM 0 H PHE A 97 -0.358 4.528 -5.178 1.00 0.00 H new ATOM 0 HA PHE A 97 1.064 3.212 -7.344 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.427 1.318 -7.480 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.309 1.327 -5.889 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.071 2.482 -3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.750 1.163 -7.673 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.297 2.428 -2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.978 1.111 -6.642 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.257 1.747 -4.279 1.00 0.00 H new ATOM 1433 N THR A 98 -0.599 4.199 -8.903 1.00 0.00 N ATOM 1434 CA THR A 98 -1.481 4.933 -9.802 1.00 0.00 C ATOM 1435 C THR A 98 -2.551 4.019 -10.388 1.00 0.00 C ATOM 1436 O THR A 98 -2.244 2.980 -10.972 1.00 0.00 O ATOM 1437 CB THR A 98 -0.693 5.585 -10.954 1.00 0.00 C ATOM 1438 OG1 THR A 98 0.524 6.152 -10.455 1.00 0.00 O ATOM 1439 CG2 THR A 98 -1.521 6.666 -11.632 1.00 0.00 C ATOM 0 H THR A 98 0.232 3.811 -9.350 1.00 0.00 H new ATOM 0 HA THR A 98 -1.957 5.714 -9.210 1.00 0.00 H new ATOM 0 HB THR A 98 -0.460 4.814 -11.688 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.020 6.563 -11.193 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.944 7.112 -12.442 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.433 6.226 -12.036 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.780 7.435 -10.905 1.00 0.00 H new ATOM 1447 N VAL A 99 -3.811 4.414 -10.231 1.00 0.00 N ATOM 1448 CA VAL A 99 -4.928 3.631 -10.746 1.00 0.00 C ATOM 1449 C VAL A 99 -5.523 4.277 -11.993 1.00 0.00 C ATOM 1450 O VAL A 99 -5.591 5.501 -12.098 1.00 0.00 O ATOM 1451 CB VAL A 99 -6.035 3.468 -9.688 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -7.002 2.366 -10.092 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -5.428 3.183 -8.322 1.00 0.00 C ATOM 0 H VAL A 99 -4.083 5.272 -9.751 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.534 2.648 -11.002 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.593 4.402 -9.624 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.777 2.266 -9.332 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.461 2.617 -11.048 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.462 1.424 -10.186 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.224 3.071 -7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.844 2.264 -8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.780 4.010 -8.032 1.00 0.00 H new ATOM 1463 N GLY A 100 -5.952 3.445 -12.936 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.536 3.953 -14.164 1.00 0.00 C ATOM 1465 C GLY A 100 -7.933 3.416 -14.407 1.00 0.00 C ATOM 1466 O GLY A 100 -8.252 2.277 -14.065 1.00 0.00 O ATOM 0 H GLY A 100 -5.906 2.428 -12.872 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.571 5.042 -14.123 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.896 3.686 -15.005 1.00 0.00 H new ATOM 1470 N PRO A 101 -8.794 4.249 -15.009 1.00 0.00 N ATOM 1471 CA PRO A 101 -10.179 3.874 -15.310 1.00 0.00 C ATOM 1472 C PRO A 101 -10.269 2.825 -16.413 1.00 0.00 C ATOM 1473 O PRO A 101 -9.252 2.311 -16.880 1.00 0.00 O ATOM 1474 CB PRO A 101 -10.811 5.190 -15.770 1.00 0.00 C ATOM 1475 CG PRO A 101 -9.671 5.998 -16.285 1.00 0.00 C ATOM 1476 CD PRO A 101 -8.483 5.621 -15.444 1.00 0.00 C ATOM 0 HA PRO A 101 -10.676 3.425 -14.450 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.558 5.021 -16.545 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -11.315 5.696 -14.947 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.487 5.786 -17.338 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.882 7.065 -16.207 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.556 5.661 -16.017 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.362 6.294 -14.595 1.00 0.00 H new ATOM 1484 N LEU A 102 -11.492 2.512 -16.826 1.00 0.00 N ATOM 1485 CA LEU A 102 -11.716 1.524 -17.876 1.00 0.00 C ATOM 1486 C LEU A 102 -11.626 2.166 -19.257 1.00 0.00 C ATOM 1487 O LEU A 102 -11.922 3.349 -19.422 1.00 0.00 O ATOM 1488 CB LEU A 102 -13.082 0.860 -17.697 1.00 0.00 C ATOM 1489 CG LEU A 102 -13.109 -0.399 -16.830 1.00 0.00 C ATOM 1490 CD1 LEU A 102 -12.277 -1.502 -17.465 1.00 0.00 C ATOM 1491 CD2 LEU A 102 -12.608 -0.090 -15.427 1.00 0.00 C ATOM 0 H LEU A 102 -12.344 2.928 -16.450 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.938 0.765 -17.798 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -13.764 1.591 -17.263 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.472 0.606 -18.683 1.00 0.00 H new ATOM 0 HG LEU A 102 -14.140 -0.746 -16.758 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.308 -2.390 -16.834 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.681 -1.742 -18.449 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.245 -1.166 -17.568 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.634 -0.997 -14.823 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.585 0.282 -15.480 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.246 0.667 -14.971 1.00 0.00 H new ATOM 1503 N GLY A 103 -11.217 1.377 -20.246 1.00 0.00 N ATOM 1504 CA GLY A 103 -11.098 1.886 -21.600 1.00 0.00 C ATOM 1505 C GLY A 103 -12.363 1.682 -22.409 1.00 0.00 C ATOM 1506 O GLY A 103 -13.009 0.640 -22.309 1.00 0.00 O ATOM 0 H GLY A 103 -10.966 0.395 -20.134 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.860 2.949 -21.566 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.267 1.389 -22.100 1.00 0.00 H new ATOM 1510 N GLU A 104 -12.718 2.680 -23.212 1.00 0.00 N ATOM 1511 CA GLU A 104 -13.916 2.605 -24.040 1.00 0.00 C ATOM 1512 C GLU A 104 -15.176 2.687 -23.182 1.00 0.00 C ATOM 1513 O GLU A 104 -16.102 1.894 -23.345 1.00 0.00 O ATOM 1514 CB GLU A 104 -13.921 1.308 -24.852 1.00 0.00 C ATOM 1515 CG GLU A 104 -14.675 1.417 -26.167 1.00 0.00 C ATOM 1516 CD GLU A 104 -14.002 2.356 -27.149 1.00 0.00 C ATOM 1517 OE1 GLU A 104 -14.075 3.585 -26.938 1.00 0.00 O ATOM 1518 OE2 GLU A 104 -13.403 1.863 -28.127 1.00 0.00 O ATOM 0 H GLU A 104 -12.193 3.550 -23.307 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.908 3.453 -24.725 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.892 1.013 -25.056 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -14.367 0.515 -24.252 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -14.760 0.427 -26.616 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -15.689 1.767 -25.972 1.00 0.00 H new ATOM 1525 N GLY A 105 -15.201 3.651 -22.267 1.00 0.00 N ATOM 1526 CA GLY A 105 -16.350 3.819 -21.397 1.00 0.00 C ATOM 1527 C GLY A 105 -16.310 2.890 -20.200 1.00 0.00 C ATOM 1528 O GLY A 105 -15.711 1.817 -20.257 1.00 0.00 O ATOM 0 H GLY A 105 -14.446 4.319 -22.113 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -16.392 4.852 -21.051 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -17.262 3.636 -21.965 1.00 0.00 H new ATOM 1532 N GLY A 106 -16.950 3.304 -19.110 1.00 0.00 N ATOM 1533 CA GLY A 106 -16.972 2.490 -17.909 1.00 0.00 C ATOM 1534 C GLY A 106 -18.373 2.303 -17.360 1.00 0.00 C ATOM 1535 O GLY A 106 -18.558 1.690 -16.309 1.00 0.00 O ATOM 0 H GLY A 106 -17.453 4.188 -19.038 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -16.538 1.514 -18.127 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -16.346 2.955 -17.147 1.00 0.00 H new TER 1539 GLY A 106