USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 677 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 86 ASN : amide:sc= -2.12 K(o=-6,f=-7.5!) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -3.83 X(o=-6,f=-5.8!) USER MOD Set 2.1: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 19 HIS : no HE2:sc= -12.3! C(o=-14!,f=-13!) USER MOD Set 3.2: A 71 TYR OH : rot 180:sc= -1.34 USER MOD Set 4.1: A 8 LYS NZ :NH3+ 166:sc= 0 (180deg=0) USER MOD Set 4.2: A 42 ASN : amide:sc= -1.99 K(o=-2,f=-7.1!) USER MOD Set 5.1: A 32 THR OG1 : rot 87:sc= -1.7 USER MOD Set 5.2: A 89 GLN : amide:sc= -2.51! C(o=-4.2!,f=-5!) USER MOD Set 6.1: A 10 MET CE :methyl -160:sc= -1.92 (180deg=-3.89!) USER MOD Set 6.2: A 70 MET CE :methyl -133:sc= -1.89 (180deg=-4.13!) USER MOD Set 7.1: A 6 THR OG1 : rot 180:sc= -0.25 USER MOD Set 7.2: A 38 HIS : no HD1:sc= -1.72! X(o=-2!,f=-1.7) USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.11) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0 (180deg=-0.142) USER MOD Single : A 2 THR OG1 : rot 35:sc= 0.536 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -178:sc= -4.79! USER MOD Single : A 9 GLN : amide:sc= -2.58 K(o=-2.6,f=-3.1) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.81) USER MOD Single : A 33 GLN : amide:sc= -4.96! C(o=-5!,f=-10!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.07) USER MOD Single : A 49 SER OG : rot 180:sc= -1.45 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0275 USER MOD Single : A 56 THR OG1 : rot -107:sc= 1.49 USER MOD Single : A 60 ASN : amide:sc= -0.188 K(o=-0.19,f=-6!) USER MOD Single : A 64 SER OG : rot -102:sc= 0.371 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.163) USER MOD Single : A 84 GLN : amide:sc= -1.8 K(o=-1.8,f=-3.2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 136:sc= -1.45 (180deg=-2.08!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0671 USER MOD Single : A 107 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.712 -4.499 -9.106 1.00 0.00 N ATOM 2 CA MET A 1 5.908 -5.074 -7.995 1.00 0.00 C ATOM 3 C MET A 1 4.427 -4.751 -8.163 1.00 0.00 C ATOM 4 O MET A 1 3.843 -4.030 -7.354 1.00 0.00 O ATOM 5 CB MET A 1 6.430 -4.508 -6.672 1.00 0.00 C ATOM 6 CG MET A 1 7.879 -4.867 -6.385 1.00 0.00 C ATOM 7 SD MET A 1 8.179 -6.645 -6.438 1.00 0.00 S ATOM 8 CE MET A 1 9.381 -6.747 -7.762 1.00 0.00 C ATOM 0 H1 MET A 1 7.355 -5.225 -9.481 1.00 0.00 H new ATOM 0 H2 MET A 1 6.077 -4.175 -9.863 1.00 0.00 H new ATOM 0 H3 MET A 1 7.267 -3.694 -8.752 1.00 0.00 H new ATOM 0 HA MET A 1 6.008 -6.159 -8.003 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.329 -3.423 -6.686 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.805 -4.875 -5.858 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.523 -4.372 -7.112 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.156 -4.485 -5.402 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.798 -7.754 -7.798 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.896 -6.520 -8.712 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.182 -6.029 -7.583 1.00 0.00 H new ATOM 20 N THR A 2 3.822 -5.289 -9.219 1.00 0.00 N ATOM 21 CA THR A 2 2.408 -5.057 -9.488 1.00 0.00 C ATOM 22 C THR A 2 1.549 -5.538 -8.325 1.00 0.00 C ATOM 23 O THR A 2 1.508 -6.730 -8.021 1.00 0.00 O ATOM 24 CB THR A 2 1.984 -5.764 -10.774 1.00 0.00 C ATOM 25 OG1 THR A 2 2.205 -7.160 -10.677 1.00 0.00 O ATOM 26 CG2 THR A 2 2.718 -5.267 -12.001 1.00 0.00 C ATOM 0 H THR A 2 4.289 -5.887 -9.900 1.00 0.00 H new ATOM 0 HA THR A 2 2.261 -3.984 -9.609 1.00 0.00 H new ATOM 0 HB THR A 2 0.924 -5.540 -10.889 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.042 -7.454 -9.756 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.369 -5.811 -12.879 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.526 -4.202 -12.134 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.788 -5.429 -11.875 1.00 0.00 H new ATOM 31 N LEU A 3 0.872 -4.600 -7.675 1.00 0.00 N ATOM 32 CA LEU A 3 0.019 -4.922 -6.539 1.00 0.00 C ATOM 33 C LEU A 3 -1.249 -5.644 -6.968 1.00 0.00 C ATOM 34 O LEU A 3 -1.971 -5.200 -7.859 1.00 0.00 O ATOM 35 CB LEU A 3 -0.327 -3.654 -5.750 1.00 0.00 C ATOM 36 CG LEU A 3 -1.396 -2.737 -6.363 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.162 -2.533 -7.852 1.00 0.00 C ATOM 38 CD2 LEU A 3 -2.796 -3.282 -6.109 1.00 0.00 C ATOM 0 H LEU A 3 0.897 -3.609 -7.916 1.00 0.00 H new ATOM 0 HA LEU A 3 0.578 -5.599 -5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.661 -3.951 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.586 -3.074 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.314 -1.766 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.935 -1.880 -8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.184 -2.077 -8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.198 -3.496 -8.361 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.533 -2.613 -6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.888 -4.272 -6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.970 -3.351 -5.035 1.00 0.00 H new ATOM 44 N ASN A 4 -1.514 -6.765 -6.315 1.00 0.00 N ATOM 45 CA ASN A 4 -2.696 -7.556 -6.613 1.00 0.00 C ATOM 46 C ASN A 4 -3.865 -7.135 -5.729 1.00 0.00 C ATOM 47 O ASN A 4 -3.679 -6.526 -4.673 1.00 0.00 O ATOM 48 CB ASN A 4 -2.408 -9.039 -6.411 1.00 0.00 C ATOM 49 CG ASN A 4 -1.156 -9.492 -7.135 1.00 0.00 C ATOM 50 OD1 ASN A 4 -0.190 -9.933 -6.512 1.00 0.00 O ATOM 51 ND2 ASN A 4 -1.165 -9.383 -8.459 1.00 0.00 N ATOM 0 H ASN A 4 -0.925 -7.147 -5.575 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.964 -7.383 -7.655 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.301 -9.243 -5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.259 -9.622 -6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.349 -9.670 -9.000 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.987 -9.012 -8.935 1.00 0.00 H new ATOM 56 N ILE A 5 -5.068 -7.471 -6.167 1.00 0.00 N ATOM 57 CA ILE A 5 -6.270 -7.137 -5.420 1.00 0.00 C ATOM 58 C ILE A 5 -7.144 -8.369 -5.221 1.00 0.00 C ATOM 59 O ILE A 5 -7.070 -9.323 -5.997 1.00 0.00 O ATOM 60 CB ILE A 5 -7.098 -6.045 -6.125 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.218 -4.868 -6.543 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.192 -5.554 -5.199 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.288 -5.147 -7.691 1.00 0.00 C ATOM 0 H ILE A 5 -5.238 -7.975 -7.037 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.943 -6.757 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.539 -6.480 -7.022 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.861 -4.030 -6.811 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.626 -4.553 -5.684 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.775 -4.782 -5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.844 -6.386 -4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.745 -5.140 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.706 -4.253 -7.914 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.614 -5.961 -7.424 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.869 -5.430 -8.569 1.00 0.00 H new ATOM 67 N THR A 6 -7.967 -8.352 -4.177 1.00 0.00 N ATOM 68 CA THR A 6 -8.843 -9.481 -3.887 1.00 0.00 C ATOM 69 C THR A 6 -10.069 -9.050 -3.084 1.00 0.00 C ATOM 70 O THR A 6 -10.199 -9.387 -1.907 1.00 0.00 O ATOM 71 CB THR A 6 -8.075 -10.563 -3.127 1.00 0.00 C ATOM 72 OG1 THR A 6 -6.949 -10.994 -3.868 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.914 -11.785 -2.814 1.00 0.00 C ATOM 0 H THR A 6 -8.045 -7.574 -3.522 1.00 0.00 H new ATOM 0 HA THR A 6 -9.190 -9.884 -4.838 1.00 0.00 H new ATOM 0 HB THR A 6 -7.775 -10.098 -2.188 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.471 -11.685 -3.364 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.309 -12.513 -2.274 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.766 -11.494 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.272 -12.228 -3.743 1.00 0.00 H new ATOM 78 N SER A 7 -10.973 -8.321 -3.729 1.00 0.00 N ATOM 79 CA SER A 7 -12.195 -7.870 -3.071 1.00 0.00 C ATOM 80 C SER A 7 -13.220 -9.002 -3.054 1.00 0.00 C ATOM 81 O SER A 7 -13.548 -9.568 -4.097 1.00 0.00 O ATOM 82 CB SER A 7 -12.769 -6.645 -3.783 1.00 0.00 C ATOM 83 OG SER A 7 -11.950 -6.244 -4.867 1.00 0.00 O ATOM 0 H SER A 7 -10.884 -8.030 -4.703 1.00 0.00 H new ATOM 0 HA SER A 7 -11.958 -7.588 -2.045 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.771 -6.871 -4.147 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.865 -5.822 -3.074 1.00 0.00 H new ATOM 0 HG SER A 7 -12.328 -5.441 -5.283 1.00 0.00 H new ATOM 89 N LYS A 8 -13.709 -9.346 -1.866 1.00 0.00 N ATOM 90 CA LYS A 8 -14.676 -10.430 -1.724 1.00 0.00 C ATOM 91 C LYS A 8 -15.984 -10.134 -2.459 1.00 0.00 C ATOM 92 O LYS A 8 -16.512 -10.992 -3.166 1.00 0.00 O ATOM 93 CB LYS A 8 -14.945 -10.715 -0.240 1.00 0.00 C ATOM 94 CG LYS A 8 -16.047 -9.863 0.371 1.00 0.00 C ATOM 95 CD LYS A 8 -16.137 -10.066 1.875 1.00 0.00 C ATOM 96 CE LYS A 8 -16.781 -8.874 2.564 1.00 0.00 C ATOM 97 NZ LYS A 8 -16.025 -8.461 3.780 1.00 0.00 N ATOM 0 H LYS A 8 -13.452 -8.891 -0.990 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.241 -11.317 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.209 -11.766 -0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.024 -10.555 0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.858 -8.811 0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -17.002 -10.116 -0.089 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.715 -10.965 2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.138 -10.226 2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.834 -8.037 1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.805 -9.124 2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.345 -7.520 4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.193 -9.148 4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.009 -8.427 3.562 1.00 0.00 H new ATOM 111 N GLN A 9 -16.510 -8.928 -2.281 1.00 0.00 N ATOM 112 CA GLN A 9 -17.764 -8.545 -2.927 1.00 0.00 C ATOM 113 C GLN A 9 -17.518 -7.617 -4.120 1.00 0.00 C ATOM 114 O GLN A 9 -17.261 -8.085 -5.229 1.00 0.00 O ATOM 115 CB GLN A 9 -18.716 -7.889 -1.918 1.00 0.00 C ATOM 116 CG GLN A 9 -18.011 -7.104 -0.823 1.00 0.00 C ATOM 117 CD GLN A 9 -18.978 -6.363 0.078 1.00 0.00 C ATOM 118 OE1 GLN A 9 -19.512 -5.318 -0.291 1.00 0.00 O ATOM 119 NE2 GLN A 9 -19.208 -6.902 1.271 1.00 0.00 N ATOM 0 H GLN A 9 -16.093 -8.201 -1.699 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.233 -9.454 -3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.391 -7.221 -2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.331 -8.663 -1.458 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.410 -7.786 -0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.324 -6.390 -1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.743 -7.770 1.536 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.849 -6.447 1.921 1.00 0.00 H new ATOM 126 N MET A 10 -17.600 -6.303 -3.895 1.00 0.00 N ATOM 127 CA MET A 10 -17.387 -5.324 -4.957 1.00 0.00 C ATOM 128 C MET A 10 -16.152 -5.669 -5.779 1.00 0.00 C ATOM 129 O MET A 10 -15.022 -5.508 -5.317 1.00 0.00 O ATOM 130 CB MET A 10 -17.234 -3.926 -4.364 1.00 0.00 C ATOM 131 CG MET A 10 -16.116 -3.826 -3.343 1.00 0.00 C ATOM 132 SD MET A 10 -16.354 -2.492 -2.154 1.00 0.00 S ATOM 133 CE MET A 10 -14.656 -2.159 -1.685 1.00 0.00 C ATOM 0 H MET A 10 -17.813 -5.895 -2.985 1.00 0.00 H new ATOM 0 HA MET A 10 -18.258 -5.346 -5.613 1.00 0.00 H new ATOM 0 HB2 MET A 10 -17.046 -3.216 -5.169 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.173 -3.633 -3.894 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.037 -4.772 -2.807 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.170 -3.675 -3.864 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.639 -1.634 -0.730 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.113 -3.100 -1.592 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.182 -1.541 -2.448 1.00 0.00 H new ATOM 143 N ASP A 11 -16.372 -6.148 -6.994 1.00 0.00 N ATOM 144 CA ASP A 11 -15.273 -6.523 -7.873 1.00 0.00 C ATOM 145 C ASP A 11 -14.330 -5.348 -8.107 1.00 0.00 C ATOM 146 O ASP A 11 -14.528 -4.263 -7.560 1.00 0.00 O ATOM 147 CB ASP A 11 -15.811 -7.038 -9.209 1.00 0.00 C ATOM 148 CG ASP A 11 -16.893 -8.085 -9.033 1.00 0.00 C ATOM 149 OD1 ASP A 11 -18.079 -7.702 -8.945 1.00 0.00 O ATOM 150 OD2 ASP A 11 -16.555 -9.286 -8.984 1.00 0.00 O ATOM 0 H ASP A 11 -17.300 -6.286 -7.394 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.711 -7.320 -7.385 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -16.209 -6.202 -9.784 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.991 -7.461 -9.789 1.00 0.00 H new ATOM 155 N ILE A 12 -13.306 -5.570 -8.925 1.00 0.00 N ATOM 156 CA ILE A 12 -12.337 -4.521 -9.232 1.00 0.00 C ATOM 157 C ILE A 12 -12.678 -3.839 -10.550 1.00 0.00 C ATOM 158 O ILE A 12 -13.197 -4.464 -11.475 1.00 0.00 O ATOM 159 CB ILE A 12 -10.877 -5.044 -9.313 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.799 -6.544 -9.006 1.00 0.00 C ATOM 161 CG2 ILE A 12 -9.971 -4.264 -8.364 1.00 0.00 C ATOM 162 CD1 ILE A 12 -11.229 -6.899 -7.597 1.00 0.00 C ATOM 0 H ILE A 12 -13.125 -6.462 -9.386 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.399 -3.812 -8.406 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.531 -4.891 -10.335 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.426 -7.084 -9.715 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.775 -6.885 -9.161 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.953 -4.646 -8.436 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.982 -3.208 -8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.330 -4.379 -7.341 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.148 -7.976 -7.452 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.586 -6.387 -6.881 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.263 -6.589 -7.443 1.00 0.00 H new ATOM 166 N THR A 13 -12.378 -2.553 -10.621 1.00 0.00 N ATOM 167 CA THR A 13 -12.635 -1.760 -11.808 1.00 0.00 C ATOM 168 C THR A 13 -11.589 -0.654 -11.925 1.00 0.00 C ATOM 169 O THR A 13 -10.761 -0.485 -11.030 1.00 0.00 O ATOM 170 CB THR A 13 -14.041 -1.163 -11.740 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.522 -1.164 -10.408 1.00 0.00 O ATOM 172 CG2 THR A 13 -15.051 -1.902 -12.593 1.00 0.00 C ATOM 0 H THR A 13 -11.950 -2.031 -9.857 1.00 0.00 H new ATOM 0 HA THR A 13 -12.571 -2.397 -12.690 1.00 0.00 H new ATOM 0 HB THR A 13 -13.941 -0.148 -12.124 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.422 -0.777 -10.385 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.026 -1.425 -12.497 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.735 -1.876 -13.636 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.119 -2.938 -12.261 1.00 0.00 H new ATOM 177 N PRO A 14 -11.601 0.114 -13.028 1.00 0.00 N ATOM 178 CA PRO A 14 -10.640 1.199 -13.244 1.00 0.00 C ATOM 179 C PRO A 14 -10.366 2.015 -11.981 1.00 0.00 C ATOM 180 O PRO A 14 -9.212 2.261 -11.634 1.00 0.00 O ATOM 181 CB PRO A 14 -11.334 2.055 -14.294 1.00 0.00 C ATOM 182 CG PRO A 14 -12.116 1.080 -15.107 1.00 0.00 C ATOM 183 CD PRO A 14 -12.545 -0.012 -14.159 1.00 0.00 C ATOM 0 HA PRO A 14 -9.660 0.825 -13.542 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.983 2.800 -13.834 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.613 2.595 -14.907 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.981 1.560 -15.564 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.510 0.675 -15.918 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.577 0.121 -13.836 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.482 -0.995 -14.626 1.00 0.00 H new ATOM 191 N ALA A 15 -11.430 2.434 -11.299 1.00 0.00 N ATOM 192 CA ALA A 15 -11.291 3.224 -10.077 1.00 0.00 C ATOM 193 C ALA A 15 -10.326 2.563 -9.096 1.00 0.00 C ATOM 194 O ALA A 15 -9.148 2.911 -9.050 1.00 0.00 O ATOM 195 CB ALA A 15 -12.650 3.441 -9.429 1.00 0.00 C ATOM 0 H ALA A 15 -12.394 2.241 -11.570 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.875 4.194 -10.349 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.530 4.031 -8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.303 3.971 -10.122 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.092 2.477 -9.180 1.00 0.00 H new ATOM 201 N ILE A 16 -10.826 1.602 -8.319 1.00 0.00 N ATOM 202 CA ILE A 16 -9.992 0.892 -7.353 1.00 0.00 C ATOM 203 C ILE A 16 -8.688 0.449 -7.998 1.00 0.00 C ATOM 204 O ILE A 16 -7.610 0.852 -7.571 1.00 0.00 O ATOM 205 CB ILE A 16 -10.703 -0.343 -6.766 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.645 -0.976 -7.802 1.00 0.00 C ATOM 207 CG2 ILE A 16 -11.450 0.035 -5.496 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.110 -0.664 -7.590 1.00 0.00 C ATOM 0 H ILE A 16 -11.800 1.299 -8.340 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.790 1.591 -6.541 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.951 -1.089 -6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.354 -0.635 -8.796 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.510 -2.058 -7.784 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.948 -0.846 -5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.745 0.423 -4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.193 0.799 -5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.702 -1.150 -8.366 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.422 -1.030 -6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.263 0.414 -7.639 1.00 0.00 H new ATOM 212 N ARG A 17 -8.794 -0.367 -9.046 1.00 0.00 N ATOM 213 CA ARG A 17 -7.613 -0.850 -9.762 1.00 0.00 C ATOM 214 C ARG A 17 -6.584 0.271 -9.909 1.00 0.00 C ATOM 215 O ARG A 17 -5.461 0.175 -9.408 1.00 0.00 O ATOM 216 CB ARG A 17 -8.006 -1.375 -11.143 1.00 0.00 C ATOM 217 CG ARG A 17 -6.904 -2.174 -11.819 1.00 0.00 C ATOM 218 CD ARG A 17 -7.172 -2.354 -13.303 1.00 0.00 C ATOM 219 NE ARG A 17 -6.208 -3.259 -13.926 1.00 0.00 N ATOM 220 CZ ARG A 17 -5.804 -3.163 -15.192 1.00 0.00 C ATOM 221 NH1 ARG A 17 -6.285 -2.212 -15.985 1.00 0.00 N ATOM 222 NH2 ARG A 17 -4.917 -4.025 -15.670 1.00 0.00 N ATOM 0 H ARG A 17 -9.681 -0.707 -9.417 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.171 -1.663 -9.186 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.893 -2.002 -11.047 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.278 -0.533 -11.780 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.949 -1.667 -11.680 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.818 -3.151 -11.343 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.180 -2.744 -13.445 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.132 -1.384 -13.799 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.820 -4.011 -13.356 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.970 -1.547 -15.626 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.969 -2.147 -16.953 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.545 -4.760 -15.069 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.607 -3.953 -16.639 1.00 0.00 H new ATOM 236 N GLU A 18 -6.991 1.345 -10.581 1.00 0.00 N ATOM 237 CA GLU A 18 -6.127 2.503 -10.782 1.00 0.00 C ATOM 238 C GLU A 18 -5.699 3.088 -9.440 1.00 0.00 C ATOM 239 O GLU A 18 -4.549 3.489 -9.264 1.00 0.00 O ATOM 240 CB GLU A 18 -6.850 3.569 -11.609 1.00 0.00 C ATOM 241 CG GLU A 18 -6.018 4.818 -11.855 1.00 0.00 C ATOM 242 CD GLU A 18 -6.553 5.656 -12.999 1.00 0.00 C ATOM 243 OE1 GLU A 18 -7.784 5.658 -13.210 1.00 0.00 O ATOM 244 OE2 GLU A 18 -5.740 6.311 -13.686 1.00 0.00 O ATOM 0 H GLU A 18 -7.918 1.436 -10.997 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.238 2.179 -11.323 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.137 3.139 -12.569 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.770 3.851 -11.098 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.996 5.421 -10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.989 4.529 -12.071 1.00 0.00 H new ATOM 251 N HIS A 19 -6.631 3.118 -8.491 1.00 0.00 N ATOM 252 CA HIS A 19 -6.355 3.634 -7.161 1.00 0.00 C ATOM 253 C HIS A 19 -5.285 2.779 -6.497 1.00 0.00 C ATOM 254 O HIS A 19 -4.152 3.217 -6.306 1.00 0.00 O ATOM 255 CB HIS A 19 -7.640 3.615 -6.337 1.00 0.00 C ATOM 256 CG HIS A 19 -7.656 4.575 -5.204 1.00 0.00 C ATOM 257 ND1 HIS A 19 -7.096 5.833 -5.250 1.00 0.00 N ATOM 258 CD2 HIS A 19 -8.200 4.448 -3.987 1.00 0.00 C ATOM 259 CE1 HIS A 19 -7.300 6.441 -4.094 1.00 0.00 C ATOM 260 NE2 HIS A 19 -7.970 5.618 -3.307 1.00 0.00 N ATOM 0 H HIS A 19 -7.587 2.788 -8.623 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.992 4.660 -7.228 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.482 3.833 -6.994 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.792 2.609 -5.947 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -6.603 6.232 -6.049 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.724 3.583 -3.609 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.975 7.438 -3.837 1.00 0.00 H new ATOM 269 N LEU A 20 -5.656 1.542 -6.179 1.00 0.00 N ATOM 270 CA LEU A 20 -4.743 0.582 -5.568 1.00 0.00 C ATOM 271 C LEU A 20 -3.382 0.622 -6.263 1.00 0.00 C ATOM 272 O LEU A 20 -2.338 0.732 -5.613 1.00 0.00 O ATOM 273 CB LEU A 20 -5.351 -0.818 -5.656 1.00 0.00 C ATOM 274 CG LEU A 20 -6.839 -0.888 -5.282 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.399 -2.285 -5.468 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.052 -0.413 -3.856 1.00 0.00 C ATOM 0 H LEU A 20 -6.596 1.178 -6.337 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.593 0.843 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.226 -1.192 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.792 -1.485 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.380 -0.225 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.454 -2.294 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.293 -2.583 -6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.853 -2.983 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.112 -0.469 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.485 -1.046 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.712 0.618 -3.761 1.00 0.00 H new ATOM 282 N GLU A 21 -3.407 0.560 -7.594 1.00 0.00 N ATOM 283 CA GLU A 21 -2.182 0.614 -8.382 1.00 0.00 C ATOM 284 C GLU A 21 -1.454 1.930 -8.137 1.00 0.00 C ATOM 285 O GLU A 21 -0.287 1.944 -7.739 1.00 0.00 O ATOM 286 CB GLU A 21 -2.494 0.453 -9.870 1.00 0.00 C ATOM 287 CG GLU A 21 -3.013 -0.928 -10.239 1.00 0.00 C ATOM 288 CD GLU A 21 -3.569 -0.984 -11.647 1.00 0.00 C ATOM 289 OE1 GLU A 21 -4.153 0.025 -12.096 1.00 0.00 O ATOM 290 OE2 GLU A 21 -3.422 -2.038 -12.303 1.00 0.00 O ATOM 0 H GLU A 21 -4.261 0.473 -8.145 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.536 -0.208 -8.072 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.234 1.199 -10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.592 0.658 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.205 -1.654 -10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.791 -1.220 -9.533 1.00 0.00 H new ATOM 297 N GLU A 22 -2.156 3.038 -8.361 1.00 0.00 N ATOM 298 CA GLU A 22 -1.579 4.361 -8.148 1.00 0.00 C ATOM 299 C GLU A 22 -0.994 4.458 -6.744 1.00 0.00 C ATOM 300 O GLU A 22 0.105 4.980 -6.549 1.00 0.00 O ATOM 301 CB GLU A 22 -2.636 5.451 -8.352 1.00 0.00 C ATOM 302 CG GLU A 22 -2.099 6.860 -8.166 1.00 0.00 C ATOM 303 CD GLU A 22 -1.305 7.344 -9.365 1.00 0.00 C ATOM 304 OE1 GLU A 22 -1.927 7.839 -10.329 1.00 0.00 O ATOM 305 OE2 GLU A 22 -0.062 7.228 -9.340 1.00 0.00 O ATOM 0 H GLU A 22 -3.122 3.046 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.782 4.510 -8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.052 5.359 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.455 5.287 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.931 7.541 -7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.466 6.890 -7.279 1.00 0.00 H new ATOM 312 N ARG A 23 -1.732 3.933 -5.769 1.00 0.00 N ATOM 313 CA ARG A 23 -1.281 3.942 -4.384 1.00 0.00 C ATOM 314 C ARG A 23 0.032 3.184 -4.260 1.00 0.00 C ATOM 315 O ARG A 23 0.989 3.676 -3.660 1.00 0.00 O ATOM 316 CB ARG A 23 -2.337 3.332 -3.462 1.00 0.00 C ATOM 317 CG ARG A 23 -3.410 4.322 -3.040 1.00 0.00 C ATOM 318 CD ARG A 23 -2.805 5.583 -2.442 1.00 0.00 C ATOM 319 NE ARG A 23 -3.750 6.295 -1.583 1.00 0.00 N ATOM 320 CZ ARG A 23 -4.579 7.244 -2.014 1.00 0.00 C ATOM 321 NH1 ARG A 23 -4.601 7.589 -3.296 1.00 0.00 N ATOM 322 NH2 ARG A 23 -5.394 7.847 -1.160 1.00 0.00 N ATOM 0 H ARG A 23 -2.643 3.497 -5.914 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.124 4.977 -4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.808 2.490 -3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.848 2.936 -2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.022 4.585 -3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.071 3.854 -2.311 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.919 5.320 -1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.478 6.243 -3.245 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.776 6.050 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.980 7.126 -3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.239 8.317 -3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.385 7.584 -0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.030 8.574 -1.488 1.00 0.00 H new ATOM 336 N LEU A 24 0.085 1.991 -4.854 1.00 0.00 N ATOM 337 CA LEU A 24 1.305 1.193 -4.822 1.00 0.00 C ATOM 338 C LEU A 24 2.439 1.984 -5.462 1.00 0.00 C ATOM 339 O LEU A 24 3.522 2.121 -4.888 1.00 0.00 O ATOM 340 CB LEU A 24 1.107 -0.135 -5.561 1.00 0.00 C ATOM 341 CG LEU A 24 2.121 -1.241 -5.232 1.00 0.00 C ATOM 342 CD1 LEU A 24 3.548 -0.712 -5.274 1.00 0.00 C ATOM 343 CD2 LEU A 24 1.820 -1.860 -3.874 1.00 0.00 C ATOM 0 H LEU A 24 -0.693 1.563 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 24 1.554 0.969 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.107 -0.507 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.144 0.058 -6.633 1.00 0.00 H new ATOM 0 HG LEU A 24 2.028 -2.015 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.242 -1.518 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.765 -0.328 -6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.660 0.090 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.550 -2.641 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.875 -1.091 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.819 -2.292 -3.885 1.00 0.00 H new ATOM 349 N ALA A 25 2.169 2.525 -6.647 1.00 0.00 N ATOM 350 CA ALA A 25 3.153 3.328 -7.357 1.00 0.00 C ATOM 351 C ALA A 25 3.600 4.491 -6.481 1.00 0.00 C ATOM 352 O ALA A 25 4.747 4.934 -6.547 1.00 0.00 O ATOM 353 CB ALA A 25 2.579 3.836 -8.672 1.00 0.00 C ATOM 0 H ALA A 25 1.278 2.421 -7.133 1.00 0.00 H new ATOM 0 HA ALA A 25 4.019 2.706 -7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.329 4.435 -9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.296 2.989 -9.297 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.700 4.449 -8.473 1.00 0.00 H new ATOM 359 N LYS A 26 2.683 4.967 -5.641 1.00 0.00 N ATOM 360 CA LYS A 26 2.975 6.062 -4.729 1.00 0.00 C ATOM 361 C LYS A 26 3.869 5.571 -3.597 1.00 0.00 C ATOM 362 O LYS A 26 4.809 6.254 -3.193 1.00 0.00 O ATOM 363 CB LYS A 26 1.680 6.646 -4.162 1.00 0.00 C ATOM 364 CG LYS A 26 1.737 8.147 -3.935 1.00 0.00 C ATOM 365 CD LYS A 26 1.226 8.914 -5.145 1.00 0.00 C ATOM 366 CE LYS A 26 2.267 8.970 -6.251 1.00 0.00 C ATOM 367 NZ LYS A 26 2.336 10.319 -6.880 1.00 0.00 N ATOM 0 H LYS A 26 1.730 4.608 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 26 3.496 6.846 -5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.861 6.421 -4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.452 6.153 -3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.141 8.407 -3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.763 8.445 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.320 8.440 -5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.956 9.927 -4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.244 8.709 -5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.029 8.226 -7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.057 10.316 -7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.411 10.558 -7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.588 11.025 -6.160 1.00 0.00 H new ATOM 381 N LEU A 27 3.576 4.370 -3.099 1.00 0.00 N ATOM 382 CA LEU A 27 4.366 3.779 -2.025 1.00 0.00 C ATOM 383 C LEU A 27 5.710 3.280 -2.559 1.00 0.00 C ATOM 384 O LEU A 27 6.611 2.957 -1.786 1.00 0.00 O ATOM 385 CB LEU A 27 3.599 2.635 -1.350 1.00 0.00 C ATOM 386 CG LEU A 27 2.794 3.040 -0.111 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.190 1.815 0.557 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.667 3.808 0.874 1.00 0.00 C ATOM 0 H LEU A 27 2.801 3.791 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 27 4.555 4.550 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.919 2.193 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.310 1.859 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 27 1.983 3.695 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.622 2.122 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.528 1.308 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.987 1.136 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.074 4.085 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.501 3.180 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.051 4.709 0.395 1.00 0.00 H new ATOM 394 N GLY A 28 5.845 3.234 -3.884 1.00 0.00 N ATOM 395 CA GLY A 28 7.090 2.791 -4.484 1.00 0.00 C ATOM 396 C GLY A 28 8.251 3.684 -4.096 1.00 0.00 C ATOM 397 O GLY A 28 9.386 3.224 -3.964 1.00 0.00 O ATOM 0 H GLY A 28 5.116 3.495 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.299 1.767 -4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.987 2.780 -5.569 1.00 0.00 H new ATOM 401 N LYS A 29 7.957 4.965 -3.902 1.00 0.00 N ATOM 402 CA LYS A 29 8.970 5.940 -3.513 1.00 0.00 C ATOM 403 C LYS A 29 9.365 5.744 -2.052 1.00 0.00 C ATOM 404 O LYS A 29 10.488 6.053 -1.653 1.00 0.00 O ATOM 405 CB LYS A 29 8.431 7.359 -3.731 1.00 0.00 C ATOM 406 CG LYS A 29 9.299 8.458 -3.135 1.00 0.00 C ATOM 407 CD LYS A 29 8.454 9.574 -2.540 1.00 0.00 C ATOM 408 CE LYS A 29 8.583 9.628 -1.025 1.00 0.00 C ATOM 409 NZ LYS A 29 9.902 10.170 -0.599 1.00 0.00 N ATOM 0 H LYS A 29 7.020 5.354 -4.008 1.00 0.00 H new ATOM 0 HA LYS A 29 9.856 5.795 -4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.327 7.535 -4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.433 7.426 -3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.943 8.036 -2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.952 8.866 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.760 10.529 -2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.409 9.424 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.786 10.248 -0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.452 8.627 -0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.950 10.190 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.662 9.564 -0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.017 11.135 -0.970 1.00 0.00 H new ATOM 423 N TRP A 30 8.427 5.239 -1.259 1.00 0.00 N ATOM 424 CA TRP A 30 8.655 5.007 0.159 1.00 0.00 C ATOM 425 C TRP A 30 9.742 3.965 0.391 1.00 0.00 C ATOM 426 O TRP A 30 9.446 2.830 0.762 1.00 0.00 O ATOM 427 CB TRP A 30 7.352 4.573 0.826 1.00 0.00 C ATOM 428 CG TRP A 30 6.525 5.726 1.298 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.568 6.401 0.595 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.593 6.342 2.580 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.036 7.402 1.373 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.651 7.385 2.598 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.361 6.106 3.717 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.460 8.193 3.717 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.175 6.907 4.823 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.230 7.941 4.818 1.00 0.00 C ATOM 0 H TRP A 30 7.494 4.981 -1.580 1.00 0.00 H new ATOM 0 HA TRP A 30 8.998 5.941 0.604 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.770 3.980 0.121 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.582 3.927 1.673 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.273 6.181 -0.420 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.304 8.051 1.086 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.090 5.309 3.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.730 8.989 3.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.768 6.734 5.709 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.107 8.551 5.701 1.00 0.00 H new ATOM 447 N GLN A 31 11.001 4.378 0.175 1.00 0.00 N ATOM 448 CA GLN A 31 12.182 3.516 0.352 1.00 0.00 C ATOM 449 C GLN A 31 11.809 2.108 0.809 1.00 0.00 C ATOM 450 O GLN A 31 12.086 1.717 1.943 1.00 0.00 O ATOM 451 CB GLN A 31 13.151 4.146 1.358 1.00 0.00 C ATOM 452 CG GLN A 31 12.462 4.821 2.534 1.00 0.00 C ATOM 453 CD GLN A 31 12.029 6.239 2.221 1.00 0.00 C ATOM 454 OE1 GLN A 31 10.866 6.599 2.400 1.00 0.00 O ATOM 455 NE2 GLN A 31 12.964 7.054 1.748 1.00 0.00 N ATOM 0 H GLN A 31 11.230 5.324 -0.129 1.00 0.00 H new ATOM 0 HA GLN A 31 12.664 3.430 -0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.821 3.373 1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.770 4.880 0.842 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.590 4.235 2.825 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.138 4.832 3.389 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.917 6.715 1.615 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.730 8.020 1.518 1.00 0.00 H new ATOM 462 N THR A 32 11.160 1.363 -0.075 1.00 0.00 N ATOM 463 CA THR A 32 10.728 0.019 0.237 1.00 0.00 C ATOM 464 C THR A 32 10.481 -0.780 -1.038 1.00 0.00 C ATOM 465 O THR A 32 10.330 -0.216 -2.122 1.00 0.00 O ATOM 466 CB THR A 32 9.451 0.084 1.075 1.00 0.00 C ATOM 467 OG1 THR A 32 9.694 0.744 2.304 1.00 0.00 O ATOM 468 CG2 THR A 32 8.861 -1.268 1.393 1.00 0.00 C ATOM 0 H THR A 32 10.923 1.674 -1.017 1.00 0.00 H new ATOM 0 HA THR A 32 11.512 -0.484 0.803 1.00 0.00 H new ATOM 0 HB THR A 32 8.737 0.632 0.460 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.582 1.710 2.184 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.958 -1.140 1.990 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.613 -1.784 0.465 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.586 -1.858 1.954 1.00 0.00 H new ATOM 473 N GLN A 33 10.417 -2.093 -0.889 1.00 0.00 N ATOM 474 CA GLN A 33 10.163 -2.990 -2.001 1.00 0.00 C ATOM 475 C GLN A 33 9.027 -3.912 -1.624 1.00 0.00 C ATOM 476 O GLN A 33 9.230 -4.955 -1.003 1.00 0.00 O ATOM 477 CB GLN A 33 11.403 -3.804 -2.359 1.00 0.00 C ATOM 478 CG GLN A 33 12.255 -4.191 -1.161 1.00 0.00 C ATOM 479 CD GLN A 33 13.242 -3.100 -0.777 1.00 0.00 C ATOM 480 OE1 GLN A 33 12.974 -1.914 -0.968 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.391 -3.492 -0.237 1.00 0.00 N ATOM 0 H GLN A 33 10.540 -2.566 0.007 1.00 0.00 H new ATOM 0 HA GLN A 33 9.898 -2.400 -2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.093 -4.710 -2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.013 -3.230 -3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.607 -4.406 -0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.800 -5.108 -1.387 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.575 -4.485 -0.095 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.089 -2.800 0.036 1.00 0.00 H new ATOM 488 N LEU A 34 7.827 -3.492 -1.969 1.00 0.00 N ATOM 489 CA LEU A 34 6.631 -4.237 -1.637 1.00 0.00 C ATOM 490 C LEU A 34 6.724 -5.694 -2.066 1.00 0.00 C ATOM 491 O LEU A 34 6.341 -6.056 -3.178 1.00 0.00 O ATOM 492 CB LEU A 34 5.409 -3.575 -2.271 1.00 0.00 C ATOM 493 CG LEU A 34 5.194 -2.104 -1.894 1.00 0.00 C ATOM 494 CD1 LEU A 34 5.841 -1.780 -0.550 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.747 -1.199 -2.981 1.00 0.00 C ATOM 0 H LEU A 34 7.654 -2.629 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 34 6.529 -4.226 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.499 -3.646 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.521 -4.140 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 34 4.122 -1.930 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.672 -0.731 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.401 -2.406 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.913 -1.972 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.589 -0.157 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.814 -1.384 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.235 -1.405 -3.921 1.00 0.00 H new ATOM 501 N ILE A 35 7.215 -6.528 -1.158 1.00 0.00 N ATOM 502 CA ILE A 35 7.338 -7.951 -1.417 1.00 0.00 C ATOM 503 C ILE A 35 5.964 -8.546 -1.691 1.00 0.00 C ATOM 504 O ILE A 35 5.240 -8.916 -0.767 1.00 0.00 O ATOM 505 CB ILE A 35 7.994 -8.671 -0.226 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.466 -8.253 -0.127 1.00 0.00 C ATOM 507 CG2 ILE A 35 7.859 -10.187 -0.373 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.304 -9.182 0.713 1.00 0.00 C ATOM 0 H ILE A 35 7.535 -6.239 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 35 7.973 -8.089 -2.292 1.00 0.00 H new ATOM 0 HB ILE A 35 7.485 -8.384 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.889 -8.204 -1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.522 -7.248 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.329 -10.678 0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.803 -10.456 -0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.348 -10.508 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.333 -8.823 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.907 -9.213 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.279 -10.183 0.283 1.00 0.00 H new ATOM 512 N SER A 36 5.608 -8.623 -2.966 1.00 0.00 N ATOM 513 CA SER A 36 4.312 -9.161 -3.366 1.00 0.00 C ATOM 514 C SER A 36 3.189 -8.542 -2.537 1.00 0.00 C ATOM 515 O SER A 36 2.810 -9.058 -1.486 1.00 0.00 O ATOM 516 CB SER A 36 4.313 -10.683 -3.222 1.00 0.00 C ATOM 517 OG SER A 36 3.986 -11.314 -4.449 1.00 0.00 O ATOM 0 H SER A 36 6.197 -8.320 -3.742 1.00 0.00 H new ATOM 0 HA SER A 36 4.136 -8.907 -4.411 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.295 -11.019 -2.888 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.597 -10.979 -2.456 1.00 0.00 H new ATOM 0 HG SER A 36 3.995 -12.287 -4.329 1.00 0.00 H new ATOM 523 N PRO A 37 2.668 -7.402 -3.007 1.00 0.00 N ATOM 524 CA PRO A 37 1.609 -6.657 -2.340 1.00 0.00 C ATOM 525 C PRO A 37 0.203 -7.009 -2.826 1.00 0.00 C ATOM 526 O PRO A 37 -0.024 -7.228 -4.019 1.00 0.00 O ATOM 527 CB PRO A 37 1.956 -5.220 -2.718 1.00 0.00 C ATOM 528 CG PRO A 37 2.619 -5.315 -4.061 1.00 0.00 C ATOM 529 CD PRO A 37 3.100 -6.727 -4.235 1.00 0.00 C ATOM 0 HA PRO A 37 1.573 -6.866 -1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.062 -4.598 -2.763 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.621 -4.769 -1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.918 -5.050 -4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.453 -4.616 -4.126 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.665 -7.191 -5.120 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.183 -6.768 -4.354 1.00 0.00 H new ATOM 537 N HIS A 38 -0.740 -7.035 -1.887 1.00 0.00 N ATOM 538 CA HIS A 38 -2.136 -7.333 -2.191 1.00 0.00 C ATOM 539 C HIS A 38 -3.041 -6.240 -1.657 1.00 0.00 C ATOM 540 O HIS A 38 -2.593 -5.324 -0.967 1.00 0.00 O ATOM 541 CB HIS A 38 -2.559 -8.660 -1.569 1.00 0.00 C ATOM 542 CG HIS A 38 -2.838 -9.739 -2.562 1.00 0.00 C ATOM 543 ND1 HIS A 38 -2.096 -10.894 -2.639 1.00 0.00 N ATOM 544 CD2 HIS A 38 -3.799 -9.844 -3.509 1.00 0.00 C ATOM 545 CE1 HIS A 38 -2.589 -11.668 -3.589 1.00 0.00 C ATOM 546 NE2 HIS A 38 -3.622 -11.053 -4.134 1.00 0.00 N ATOM 0 H HIS A 38 -0.559 -6.851 -0.900 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.228 -7.395 -3.275 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.774 -8.998 -0.893 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.452 -8.497 -0.965 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.562 -9.113 -3.731 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.211 -12.639 -3.872 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -4.195 -11.417 -4.895 1.00 0.00 H new ATOM 555 N PHE A 39 -4.325 -6.359 -1.955 1.00 0.00 N ATOM 556 CA PHE A 39 -5.302 -5.398 -1.480 1.00 0.00 C ATOM 557 C PHE A 39 -6.676 -6.037 -1.311 1.00 0.00 C ATOM 558 O PHE A 39 -7.430 -6.177 -2.269 1.00 0.00 O ATOM 559 CB PHE A 39 -5.380 -4.196 -2.415 1.00 0.00 C ATOM 560 CG PHE A 39 -4.777 -2.952 -1.826 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.404 -2.764 -1.811 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.589 -1.973 -1.277 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.853 -1.622 -1.260 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.045 -0.831 -0.723 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.676 -0.655 -0.715 1.00 0.00 C ATOM 0 H PHE A 39 -4.713 -7.112 -2.523 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.973 -5.052 -0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.868 -4.434 -3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.424 -4.004 -2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.757 -3.518 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.661 -2.105 -1.282 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.782 -1.486 -1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.690 -0.077 -0.297 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.248 0.238 -0.283 1.00 0.00 H new ATOM 575 N VAL A 40 -7.000 -6.414 -0.079 1.00 0.00 N ATOM 576 CA VAL A 40 -8.280 -7.020 0.223 1.00 0.00 C ATOM 577 C VAL A 40 -9.292 -5.935 0.579 1.00 0.00 C ATOM 578 O VAL A 40 -9.344 -5.466 1.715 1.00 0.00 O ATOM 579 CB VAL A 40 -8.147 -8.021 1.384 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.504 -8.570 1.774 1.00 0.00 C ATOM 581 CG2 VAL A 40 -7.194 -9.147 1.008 1.00 0.00 C ATOM 0 H VAL A 40 -6.385 -6.307 0.728 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.627 -7.561 -0.657 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.734 -7.498 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.388 -9.276 2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.152 -7.751 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.950 -9.079 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.111 -9.846 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.576 -9.670 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.211 -8.732 0.783 1.00 0.00 H new ATOM 585 N LEU A 41 -10.072 -5.522 -0.414 1.00 0.00 N ATOM 586 CA LEU A 41 -11.063 -4.467 -0.222 1.00 0.00 C ATOM 587 C LEU A 41 -12.483 -5.008 -0.195 1.00 0.00 C ATOM 588 O LEU A 41 -12.811 -5.965 -0.895 1.00 0.00 O ATOM 589 CB LEU A 41 -10.945 -3.418 -1.330 1.00 0.00 C ATOM 590 CG LEU A 41 -11.357 -3.871 -2.728 1.00 0.00 C ATOM 591 CD1 LEU A 41 -11.578 -2.667 -3.630 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.307 -4.787 -3.327 1.00 0.00 C ATOM 0 H LEU A 41 -10.038 -5.901 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.857 -4.012 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.554 -2.557 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.911 -3.076 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.292 -4.426 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.871 -3.006 -4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.366 -2.040 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.655 -2.091 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.621 -5.098 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.357 -4.256 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.187 -5.666 -2.694 1.00 0.00 H new ATOM 598 N ASN A 42 -13.334 -4.370 0.605 1.00 0.00 N ATOM 599 CA ASN A 42 -14.727 -4.774 0.700 1.00 0.00 C ATOM 600 C ASN A 42 -15.633 -3.600 1.057 1.00 0.00 C ATOM 601 O ASN A 42 -15.174 -2.529 1.454 1.00 0.00 O ATOM 602 CB ASN A 42 -14.910 -5.893 1.725 1.00 0.00 C ATOM 603 CG ASN A 42 -13.880 -6.991 1.570 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.859 -7.701 0.565 1.00 0.00 O ATOM 605 ND2 ASN A 42 -13.022 -7.138 2.568 1.00 0.00 N ATOM 0 H ASN A 42 -13.081 -3.575 1.193 1.00 0.00 H new ATOM 0 HA ASN A 42 -15.014 -5.144 -0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.844 -5.476 2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.908 -6.318 1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.306 -7.863 2.523 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.077 -6.526 3.382 1.00 0.00 H new ATOM 610 N LYS A 43 -16.929 -3.827 0.920 1.00 0.00 N ATOM 611 CA LYS A 43 -17.933 -2.817 1.231 1.00 0.00 C ATOM 612 C LYS A 43 -18.917 -3.364 2.251 1.00 0.00 C ATOM 613 O LYS A 43 -18.956 -4.567 2.511 1.00 0.00 O ATOM 614 CB LYS A 43 -18.699 -2.410 -0.038 1.00 0.00 C ATOM 615 CG LYS A 43 -20.186 -2.133 0.198 1.00 0.00 C ATOM 616 CD LYS A 43 -20.901 -1.782 -1.096 1.00 0.00 C ATOM 617 CE LYS A 43 -21.913 -0.665 -0.888 1.00 0.00 C ATOM 618 NZ LYS A 43 -22.833 -0.527 -2.050 1.00 0.00 N ATOM 0 H LYS A 43 -17.316 -4.712 0.592 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.426 -1.943 1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.236 -1.518 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.600 -3.202 -0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.653 -3.010 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.296 -1.314 0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.171 -1.478 -1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.407 -2.666 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.493 -0.864 0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.387 0.276 -0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.507 0.244 -1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.282 -0.312 -2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.354 -1.417 -2.188 1.00 0.00 H new ATOM 632 N VAL A 44 -19.733 -2.481 2.799 1.00 0.00 N ATOM 633 CA VAL A 44 -20.740 -2.879 3.756 1.00 0.00 C ATOM 634 C VAL A 44 -21.765 -1.766 3.978 1.00 0.00 C ATOM 635 O VAL A 44 -21.501 -0.595 3.704 1.00 0.00 O ATOM 636 CB VAL A 44 -20.124 -3.281 5.098 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.796 -4.766 5.114 1.00 0.00 C ATOM 638 CG2 VAL A 44 -18.885 -2.455 5.420 1.00 0.00 C ATOM 0 H VAL A 44 -19.715 -1.482 2.594 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.244 -3.748 3.334 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.864 -3.078 5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.359 -5.032 6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.708 -5.342 4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -19.085 -4.990 4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.477 -2.770 6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.137 -2.603 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.154 -1.400 5.469 1.00 0.00 H new ATOM 642 N PRO A 45 -22.962 -2.119 4.475 1.00 0.00 N ATOM 643 CA PRO A 45 -24.032 -1.146 4.724 1.00 0.00 C ATOM 644 C PRO A 45 -23.568 0.037 5.568 1.00 0.00 C ATOM 645 O PRO A 45 -23.932 1.183 5.301 1.00 0.00 O ATOM 646 CB PRO A 45 -25.083 -1.961 5.480 1.00 0.00 C ATOM 647 CG PRO A 45 -24.851 -3.369 5.054 1.00 0.00 C ATOM 648 CD PRO A 45 -23.370 -3.493 4.824 1.00 0.00 C ATOM 0 HA PRO A 45 -24.397 -0.703 3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -24.969 -1.850 6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -26.092 -1.633 5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -25.187 -4.069 5.819 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.408 -3.599 4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.854 -3.852 5.715 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.145 -4.195 4.021 1.00 0.00 H new ATOM 656 N ASN A 46 -22.770 -0.248 6.588 1.00 0.00 N ATOM 657 CA ASN A 46 -22.262 0.790 7.479 1.00 0.00 C ATOM 658 C ASN A 46 -21.062 1.523 6.873 1.00 0.00 C ATOM 659 O ASN A 46 -20.479 2.397 7.514 1.00 0.00 O ATOM 660 CB ASN A 46 -21.872 0.183 8.829 1.00 0.00 C ATOM 661 CG ASN A 46 -22.333 1.030 9.999 1.00 0.00 C ATOM 662 OD1 ASN A 46 -21.767 2.087 10.277 1.00 0.00 O ATOM 663 ND2 ASN A 46 -23.367 0.568 10.693 1.00 0.00 N ATOM 0 H ASN A 46 -22.459 -1.191 6.821 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.061 1.518 7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.303 -0.814 8.914 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -20.789 0.067 8.873 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -23.722 1.095 11.491 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -23.807 -0.313 10.428 1.00 0.00 H new ATOM 668 N GLY A 47 -20.690 1.166 5.645 1.00 0.00 N ATOM 669 CA GLY A 47 -19.566 1.799 5.002 1.00 0.00 C ATOM 670 C GLY A 47 -18.763 0.822 4.179 1.00 0.00 C ATOM 671 O GLY A 47 -19.228 -0.263 3.850 1.00 0.00 O ATOM 0 H GLY A 47 -21.153 0.447 5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.922 2.606 4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.923 2.251 5.757 1.00 0.00 H new ATOM 675 N PHE A 48 -17.552 1.209 3.859 1.00 0.00 N ATOM 676 CA PHE A 48 -16.656 0.375 3.079 1.00 0.00 C ATOM 677 C PHE A 48 -15.555 -0.188 3.959 1.00 0.00 C ATOM 678 O PHE A 48 -14.799 0.569 4.575 1.00 0.00 O ATOM 679 CB PHE A 48 -16.018 1.179 1.945 1.00 0.00 C ATOM 680 CG PHE A 48 -16.882 1.352 0.733 1.00 0.00 C ATOM 681 CD1 PHE A 48 -17.763 2.416 0.632 1.00 0.00 C ATOM 682 CD2 PHE A 48 -16.795 0.459 -0.319 1.00 0.00 C ATOM 683 CE1 PHE A 48 -18.544 2.581 -0.496 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.568 0.619 -1.449 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.443 1.679 -1.539 1.00 0.00 C ATOM 0 H PHE A 48 -17.156 2.109 4.129 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.244 -0.441 2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.748 2.164 2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.092 0.687 1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -17.840 3.124 1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.112 -0.375 -0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.231 3.412 -0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.488 -0.086 -2.263 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.050 1.805 -2.424 1.00 0.00 H new ATOM 695 N SER A 49 -15.445 -1.511 3.995 1.00 0.00 N ATOM 696 CA SER A 49 -14.403 -2.157 4.770 1.00 0.00 C ATOM 697 C SER A 49 -13.277 -2.541 3.841 1.00 0.00 C ATOM 698 O SER A 49 -13.465 -3.281 2.880 1.00 0.00 O ATOM 699 CB SER A 49 -14.913 -3.384 5.511 1.00 0.00 C ATOM 700 OG SER A 49 -16.279 -3.632 5.227 1.00 0.00 O ATOM 0 H SER A 49 -16.064 -2.151 3.497 1.00 0.00 H new ATOM 0 HA SER A 49 -14.052 -1.455 5.526 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.318 -4.253 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.783 -3.242 6.584 1.00 0.00 H new ATOM 0 HG SER A 49 -16.576 -4.427 5.717 1.00 0.00 H new ATOM 706 N VAL A 50 -12.119 -2.004 4.119 1.00 0.00 N ATOM 707 CA VAL A 50 -10.953 -2.247 3.288 1.00 0.00 C ATOM 708 C VAL A 50 -9.753 -2.689 4.118 1.00 0.00 C ATOM 709 O VAL A 50 -9.614 -2.303 5.277 1.00 0.00 O ATOM 710 CB VAL A 50 -10.600 -0.973 2.500 1.00 0.00 C ATOM 711 CG1 VAL A 50 -10.191 0.144 3.446 1.00 0.00 C ATOM 712 CG2 VAL A 50 -9.516 -1.249 1.471 1.00 0.00 C ATOM 0 H VAL A 50 -11.950 -1.391 4.917 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.197 -3.053 2.597 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.489 -0.649 1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.945 1.036 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.014 0.366 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.320 -0.168 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.287 -0.331 0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.618 -1.607 1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.865 -2.007 0.770 1.00 0.00 H new ATOM 716 N GLU A 51 -8.890 -3.501 3.514 1.00 0.00 N ATOM 717 CA GLU A 51 -7.697 -3.998 4.190 1.00 0.00 C ATOM 718 C GLU A 51 -6.582 -4.253 3.182 1.00 0.00 C ATOM 719 O GLU A 51 -6.808 -4.842 2.123 1.00 0.00 O ATOM 720 CB GLU A 51 -8.026 -5.276 4.970 1.00 0.00 C ATOM 721 CG GLU A 51 -6.805 -6.071 5.418 1.00 0.00 C ATOM 722 CD GLU A 51 -6.803 -6.348 6.909 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.485 -7.304 7.336 1.00 0.00 O ATOM 724 OE2 GLU A 51 -6.121 -5.610 7.649 1.00 0.00 O ATOM 0 H GLU A 51 -8.996 -3.829 2.554 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.352 -3.242 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.614 -5.010 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.653 -5.915 4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.773 -7.017 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.901 -5.522 5.153 1.00 0.00 H new ATOM 731 N ALA A 52 -5.381 -3.800 3.517 1.00 0.00 N ATOM 732 CA ALA A 52 -4.228 -3.970 2.642 1.00 0.00 C ATOM 733 C ALA A 52 -3.179 -4.873 3.278 1.00 0.00 C ATOM 734 O ALA A 52 -3.102 -4.986 4.502 1.00 0.00 O ATOM 735 CB ALA A 52 -3.622 -2.617 2.304 1.00 0.00 C ATOM 0 H ALA A 52 -5.180 -3.311 4.389 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.570 -4.447 1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.761 -2.757 1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.366 -2.001 1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.304 -2.122 3.221 1.00 0.00 H new ATOM 741 N SER A 53 -2.372 -5.514 2.436 1.00 0.00 N ATOM 742 CA SER A 53 -1.322 -6.407 2.906 1.00 0.00 C ATOM 743 C SER A 53 -0.119 -6.374 1.968 1.00 0.00 C ATOM 744 O SER A 53 -0.185 -6.871 0.843 1.00 0.00 O ATOM 745 CB SER A 53 -1.851 -7.841 3.018 1.00 0.00 C ATOM 746 OG SER A 53 -3.267 -7.870 2.982 1.00 0.00 O ATOM 0 H SER A 53 -2.428 -5.429 1.421 1.00 0.00 H new ATOM 0 HA SER A 53 -1.005 -6.064 3.891 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.452 -8.443 2.202 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.499 -8.290 3.947 1.00 0.00 H new ATOM 0 HG SER A 53 -3.577 -8.797 3.054 1.00 0.00 H new ATOM 752 N ILE A 54 0.982 -5.793 2.435 1.00 0.00 N ATOM 753 CA ILE A 54 2.195 -5.707 1.635 1.00 0.00 C ATOM 754 C ILE A 54 3.401 -6.176 2.441 1.00 0.00 C ATOM 755 O ILE A 54 3.510 -5.887 3.628 1.00 0.00 O ATOM 756 CB ILE A 54 2.442 -4.267 1.136 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.250 -3.785 0.302 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.730 -4.198 0.327 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.454 -2.424 -0.334 1.00 0.00 C ATOM 0 H ILE A 54 1.057 -5.376 3.363 1.00 0.00 H new ATOM 0 HA ILE A 54 2.060 -6.356 0.770 1.00 0.00 H new ATOM 0 HB ILE A 54 2.547 -3.610 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.049 -4.515 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.365 -3.749 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.889 -3.176 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.569 -4.505 0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.655 -4.863 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.567 -2.154 -0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.624 -1.680 0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.318 -2.458 -0.998 1.00 0.00 H new ATOM 763 N GLY A 55 4.305 -6.898 1.789 1.00 0.00 N ATOM 764 CA GLY A 55 5.481 -7.385 2.462 1.00 0.00 C ATOM 765 C GLY A 55 6.671 -6.492 2.242 1.00 0.00 C ATOM 766 O GLY A 55 6.792 -5.834 1.211 1.00 0.00 O ATOM 0 H GLY A 55 4.239 -7.152 0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.280 -7.463 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.712 -8.389 2.106 1.00 0.00 H new ATOM 770 N THR A 56 7.549 -6.481 3.217 1.00 0.00 N ATOM 771 CA THR A 56 8.760 -5.674 3.149 1.00 0.00 C ATOM 772 C THR A 56 9.960 -6.454 3.667 1.00 0.00 C ATOM 773 O THR A 56 9.861 -7.143 4.681 1.00 0.00 O ATOM 774 CB THR A 56 8.629 -4.376 3.956 1.00 0.00 C ATOM 775 OG1 THR A 56 9.346 -4.472 5.184 1.00 0.00 O ATOM 776 CG2 THR A 56 7.196 -3.987 4.265 1.00 0.00 C ATOM 0 H THR A 56 7.453 -7.023 4.075 1.00 0.00 H new ATOM 0 HA THR A 56 8.907 -5.421 2.099 1.00 0.00 H new ATOM 0 HB THR A 56 9.050 -3.599 3.318 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.712 -4.553 5.927 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.186 -3.060 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.649 -3.844 3.333 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.722 -4.778 4.847 1.00 0.00 H new ATOM 781 N PRO A 57 11.126 -6.338 3.008 1.00 0.00 N ATOM 782 CA PRO A 57 12.332 -7.026 3.465 1.00 0.00 C ATOM 783 C PRO A 57 12.640 -6.702 4.925 1.00 0.00 C ATOM 784 O PRO A 57 13.414 -7.404 5.576 1.00 0.00 O ATOM 785 CB PRO A 57 13.439 -6.474 2.564 1.00 0.00 C ATOM 786 CG PRO A 57 12.742 -5.940 1.361 1.00 0.00 C ATOM 787 CD PRO A 57 11.370 -5.521 1.803 1.00 0.00 C ATOM 0 HA PRO A 57 12.228 -8.110 3.408 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.004 -5.691 3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.150 -7.254 2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.288 -5.095 0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.682 -6.699 0.581 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.330 -4.455 2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.625 -5.713 1.031 1.00 0.00 H new ATOM 795 N LEU A 58 12.035 -5.624 5.432 1.00 0.00 N ATOM 796 CA LEU A 58 12.258 -5.204 6.810 1.00 0.00 C ATOM 797 C LEU A 58 11.164 -5.744 7.731 1.00 0.00 C ATOM 798 O LEU A 58 11.363 -5.872 8.939 1.00 0.00 O ATOM 799 CB LEU A 58 12.321 -3.676 6.890 1.00 0.00 C ATOM 800 CG LEU A 58 13.628 -3.056 6.381 1.00 0.00 C ATOM 801 CD1 LEU A 58 13.435 -2.428 5.006 1.00 0.00 C ATOM 802 CD2 LEU A 58 14.149 -2.023 7.370 1.00 0.00 C ATOM 0 H LEU A 58 11.391 -5.032 4.908 1.00 0.00 H new ATOM 0 HA LEU A 58 13.211 -5.614 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.492 -3.262 6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.173 -3.375 7.927 1.00 0.00 H new ATOM 0 HG LEU A 58 14.367 -3.852 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.377 -1.996 4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.112 -3.192 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.678 -1.646 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.077 -1.593 6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.408 -1.233 7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.335 -2.501 8.331 1.00 0.00 H new ATOM 808 N GLY A 59 10.013 -6.067 7.150 1.00 0.00 N ATOM 809 CA GLY A 59 8.905 -6.598 7.922 1.00 0.00 C ATOM 810 C GLY A 59 7.583 -6.449 7.200 1.00 0.00 C ATOM 811 O GLY A 59 7.291 -5.391 6.645 1.00 0.00 O ATOM 0 H GLY A 59 9.828 -5.969 6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.084 -7.652 8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.853 -6.084 8.882 1.00 0.00 H new ATOM 815 N ASN A 60 6.783 -7.513 7.200 1.00 0.00 N ATOM 816 CA ASN A 60 5.488 -7.500 6.532 1.00 0.00 C ATOM 817 C ASN A 60 4.703 -6.234 6.854 1.00 0.00 C ATOM 818 O ASN A 60 5.061 -5.479 7.758 1.00 0.00 O ATOM 819 CB ASN A 60 4.669 -8.725 6.936 1.00 0.00 C ATOM 820 CG ASN A 60 5.423 -10.025 6.728 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.644 -10.029 6.573 1.00 0.00 O ATOM 822 ND2 ASN A 60 4.697 -11.139 6.724 1.00 0.00 N ATOM 0 H ASN A 60 7.011 -8.396 7.657 1.00 0.00 H new ATOM 0 HA ASN A 60 5.675 -7.523 5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.385 -8.638 7.985 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.746 -8.748 6.357 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.150 -12.043 6.589 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.687 -11.090 6.856 1.00 0.00 H new ATOM 827 N LEU A 61 3.635 -6.014 6.102 1.00 0.00 N ATOM 828 CA LEU A 61 2.790 -4.844 6.291 1.00 0.00 C ATOM 829 C LEU A 61 1.340 -5.167 5.973 1.00 0.00 C ATOM 830 O LEU A 61 1.050 -5.966 5.084 1.00 0.00 O ATOM 831 CB LEU A 61 3.266 -3.693 5.403 1.00 0.00 C ATOM 832 CG LEU A 61 3.851 -2.490 6.145 1.00 0.00 C ATOM 833 CD1 LEU A 61 5.322 -2.717 6.468 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.670 -1.227 5.321 1.00 0.00 C ATOM 0 H LEU A 61 3.332 -6.634 5.351 1.00 0.00 H new ATOM 0 HA LEU A 61 2.861 -4.544 7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.020 -4.075 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.426 -3.352 4.798 1.00 0.00 H new ATOM 0 HG LEU A 61 3.315 -2.370 7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.717 -1.849 6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.424 -3.601 7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.879 -2.864 5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.090 -0.378 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.182 -1.340 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.608 -1.056 5.146 1.00 0.00 H new ATOM 840 N LEU A 62 0.436 -4.524 6.698 1.00 0.00 N ATOM 841 CA LEU A 62 -0.988 -4.715 6.501 1.00 0.00 C ATOM 842 C LEU A 62 -1.754 -3.527 7.060 1.00 0.00 C ATOM 843 O LEU A 62 -1.183 -2.665 7.727 1.00 0.00 O ATOM 844 CB LEU A 62 -1.466 -6.001 7.182 1.00 0.00 C ATOM 845 CG LEU A 62 -1.111 -7.301 6.453 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.042 -8.073 7.214 1.00 0.00 C ATOM 847 CD2 LEU A 62 -2.353 -8.158 6.258 1.00 0.00 C ATOM 0 H LEU A 62 0.670 -3.859 7.435 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.175 -4.798 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.042 -6.040 8.186 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.549 -5.952 7.295 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.711 -7.044 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.194 -8.992 6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.857 -7.462 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.410 -8.318 8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.083 -9.077 5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.782 -8.403 7.230 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.085 -7.609 5.666 1.00 0.00 H new ATOM 853 N ALA A 63 -3.046 -3.492 6.792 1.00 0.00 N ATOM 854 CA ALA A 63 -3.896 -2.414 7.273 1.00 0.00 C ATOM 855 C ALA A 63 -5.361 -2.718 7.008 1.00 0.00 C ATOM 856 O ALA A 63 -5.687 -3.618 6.234 1.00 0.00 O ATOM 857 CB ALA A 63 -3.501 -1.097 6.631 1.00 0.00 C ATOM 0 H ALA A 63 -3.533 -4.200 6.242 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.757 -2.329 8.351 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.148 -0.302 7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.465 -0.867 6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.606 -1.174 5.549 1.00 0.00 H new ATOM 863 N SER A 64 -6.241 -1.966 7.654 1.00 0.00 N ATOM 864 CA SER A 64 -7.674 -2.161 7.485 1.00 0.00 C ATOM 865 C SER A 64 -8.454 -0.961 8.007 1.00 0.00 C ATOM 866 O SER A 64 -8.109 -0.386 9.040 1.00 0.00 O ATOM 867 CB SER A 64 -8.127 -3.431 8.208 1.00 0.00 C ATOM 868 OG SER A 64 -7.351 -3.661 9.372 1.00 0.00 O ATOM 0 H SER A 64 -5.989 -1.217 8.299 1.00 0.00 H new ATOM 0 HA SER A 64 -7.876 -2.266 6.419 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.179 -3.343 8.480 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.042 -4.285 7.536 1.00 0.00 H new ATOM 0 HG SER A 64 -6.688 -4.359 9.190 1.00 0.00 H new ATOM 874 N ALA A 65 -9.506 -0.585 7.287 1.00 0.00 N ATOM 875 CA ALA A 65 -10.329 0.550 7.683 1.00 0.00 C ATOM 876 C ALA A 65 -11.753 0.418 7.151 1.00 0.00 C ATOM 877 O ALA A 65 -11.971 -0.060 6.036 1.00 0.00 O ATOM 878 CB ALA A 65 -9.701 1.849 7.199 1.00 0.00 C ATOM 0 H ALA A 65 -9.807 -1.048 6.430 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.380 0.564 8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.325 2.690 7.501 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.709 1.958 7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.619 1.830 6.112 1.00 0.00 H new ATOM 884 N THR A 66 -12.716 0.853 7.956 1.00 0.00 N ATOM 885 CA THR A 66 -14.122 0.798 7.574 1.00 0.00 C ATOM 886 C THR A 66 -14.740 2.189 7.628 1.00 0.00 C ATOM 887 O THR A 66 -14.832 2.792 8.697 1.00 0.00 O ATOM 888 CB THR A 66 -14.894 -0.143 8.499 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.352 -1.451 8.453 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.367 -0.240 8.158 1.00 0.00 C ATOM 0 H THR A 66 -12.547 1.249 8.881 1.00 0.00 H new ATOM 0 HA THR A 66 -14.183 0.419 6.554 1.00 0.00 H new ATOM 0 HB THR A 66 -14.796 0.287 9.496 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.859 -2.037 9.053 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.857 -0.923 8.852 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.824 0.746 8.236 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.481 -0.613 7.140 1.00 0.00 H new ATOM 895 N SER A 67 -15.159 2.702 6.476 1.00 0.00 N ATOM 896 CA SER A 67 -15.761 4.028 6.422 1.00 0.00 C ATOM 897 C SER A 67 -16.696 4.158 5.231 1.00 0.00 C ATOM 898 O SER A 67 -16.518 3.491 4.213 1.00 0.00 O ATOM 899 CB SER A 67 -14.674 5.099 6.341 1.00 0.00 C ATOM 900 OG SER A 67 -14.605 5.851 7.539 1.00 0.00 O ATOM 0 H SER A 67 -15.094 2.225 5.577 1.00 0.00 H new ATOM 0 HA SER A 67 -16.342 4.169 7.334 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.710 4.628 6.148 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.877 5.765 5.502 1.00 0.00 H new ATOM 0 HG SER A 67 -13.900 6.528 7.460 1.00 0.00 H new ATOM 906 N ASP A 68 -17.681 5.037 5.355 1.00 0.00 N ATOM 907 CA ASP A 68 -18.634 5.267 4.279 1.00 0.00 C ATOM 908 C ASP A 68 -17.964 5.979 3.106 1.00 0.00 C ATOM 909 O ASP A 68 -18.586 6.196 2.066 1.00 0.00 O ATOM 910 CB ASP A 68 -19.817 6.093 4.785 1.00 0.00 C ATOM 911 CG ASP A 68 -21.131 5.663 4.163 1.00 0.00 C ATOM 912 OD1 ASP A 68 -21.159 5.429 2.936 1.00 0.00 O ATOM 913 OD2 ASP A 68 -22.132 5.560 4.902 1.00 0.00 O ATOM 0 H ASP A 68 -17.841 5.602 6.189 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.999 4.299 3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.884 6.000 5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.642 7.146 4.565 1.00 0.00 H new ATOM 918 N ASP A 69 -16.694 6.346 3.278 1.00 0.00 N ATOM 919 CA ASP A 69 -15.956 7.036 2.233 1.00 0.00 C ATOM 920 C ASP A 69 -14.866 6.140 1.647 1.00 0.00 C ATOM 921 O ASP A 69 -13.757 6.054 2.170 1.00 0.00 O ATOM 922 CB ASP A 69 -15.354 8.325 2.789 1.00 0.00 C ATOM 923 CG ASP A 69 -14.721 9.181 1.710 1.00 0.00 C ATOM 924 OD1 ASP A 69 -14.142 8.611 0.761 1.00 0.00 O ATOM 925 OD2 ASP A 69 -14.804 10.423 1.815 1.00 0.00 O ATOM 0 H ASP A 69 -16.161 6.175 4.130 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.647 7.286 1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.132 8.898 3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.603 8.078 3.540 1.00 0.00 H new ATOM 930 N MET A 70 -15.215 5.471 0.555 1.00 0.00 N ATOM 931 CA MET A 70 -14.325 4.555 -0.152 1.00 0.00 C ATOM 932 C MET A 70 -12.871 5.034 -0.216 1.00 0.00 C ATOM 933 O MET A 70 -11.981 4.435 0.399 1.00 0.00 O ATOM 934 CB MET A 70 -14.858 4.363 -1.575 1.00 0.00 C ATOM 935 CG MET A 70 -15.441 2.984 -1.830 1.00 0.00 C ATOM 936 SD MET A 70 -14.715 2.177 -3.267 1.00 0.00 S ATOM 937 CE MET A 70 -13.228 1.498 -2.541 1.00 0.00 C ATOM 0 H MET A 70 -16.138 5.550 0.128 1.00 0.00 H new ATOM 0 HA MET A 70 -14.315 3.619 0.407 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.624 5.113 -1.770 1.00 0.00 H new ATOM 0 HB3 MET A 70 -14.049 4.542 -2.283 1.00 0.00 H new ATOM 0 HG2 MET A 70 -15.285 2.360 -0.950 1.00 0.00 H new ATOM 0 HG3 MET A 70 -16.518 3.070 -1.972 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.375 1.722 -3.182 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.069 1.940 -1.558 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.333 0.418 -2.440 1.00 0.00 H new ATOM 947 N TYR A 71 -12.628 6.083 -0.991 1.00 0.00 N ATOM 948 CA TYR A 71 -11.275 6.593 -1.168 1.00 0.00 C ATOM 949 C TYR A 71 -10.675 7.084 0.131 1.00 0.00 C ATOM 950 O TYR A 71 -9.464 7.010 0.308 1.00 0.00 O ATOM 951 CB TYR A 71 -11.238 7.660 -2.260 1.00 0.00 C ATOM 952 CG TYR A 71 -10.909 7.066 -3.615 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.111 5.709 -3.855 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.386 7.839 -4.640 1.00 0.00 C ATOM 955 CE1 TYR A 71 -10.809 5.143 -5.069 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.079 7.279 -5.868 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.292 5.930 -6.077 1.00 0.00 C ATOM 958 OH TYR A 71 -9.989 5.371 -7.297 1.00 0.00 O ATOM 0 H TYR A 71 -13.346 6.595 -1.504 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.649 5.763 -1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.203 8.164 -2.309 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.496 8.416 -2.005 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.514 5.088 -3.069 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.216 8.893 -4.478 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.975 4.089 -5.234 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.675 7.894 -6.659 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.636 6.062 -7.895 1.00 0.00 H new ATOM 968 N LYS A 72 -11.511 7.535 1.055 1.00 0.00 N ATOM 969 CA LYS A 72 -11.009 7.970 2.347 1.00 0.00 C ATOM 970 C LYS A 72 -10.595 6.740 3.144 1.00 0.00 C ATOM 971 O LYS A 72 -9.587 6.748 3.844 1.00 0.00 O ATOM 972 CB LYS A 72 -12.054 8.744 3.105 1.00 0.00 C ATOM 973 CG LYS A 72 -11.530 9.404 4.372 1.00 0.00 C ATOM 974 CD LYS A 72 -12.474 9.189 5.544 1.00 0.00 C ATOM 975 CE LYS A 72 -13.760 9.982 5.377 1.00 0.00 C ATOM 976 NZ LYS A 72 -14.845 9.472 6.261 1.00 0.00 N ATOM 0 H LYS A 72 -12.522 7.608 0.937 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.155 8.629 2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.470 9.511 2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.871 8.072 3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.548 8.998 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.400 10.472 4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.709 8.128 5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.980 9.486 6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.571 11.032 5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.085 9.932 4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.705 10.039 6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.043 8.478 6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.545 9.543 7.254 1.00 0.00 H new ATOM 990 N ALA A 73 -11.371 5.661 2.992 1.00 0.00 N ATOM 991 CA ALA A 73 -11.061 4.401 3.653 1.00 0.00 C ATOM 992 C ALA A 73 -9.703 3.952 3.154 1.00 0.00 C ATOM 993 O ALA A 73 -8.799 3.640 3.932 1.00 0.00 O ATOM 994 CB ALA A 73 -12.127 3.352 3.356 1.00 0.00 C ATOM 0 H ALA A 73 -12.214 5.641 2.418 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.044 4.533 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.872 2.421 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.094 3.705 3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.178 3.179 2.281 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.556 4.006 1.834 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.293 3.692 1.190 1.00 0.00 C ATOM 1002 C ILE A 74 -7.278 4.728 1.650 1.00 0.00 C ATOM 1003 O ILE A 74 -6.110 4.424 1.912 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.457 3.704 -0.346 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.067 2.379 -0.801 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.137 3.959 -1.061 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.417 2.524 -1.461 1.00 0.00 C ATOM 0 H ILE A 74 -10.303 4.266 1.190 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.952 2.694 1.464 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.123 4.525 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.383 1.895 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.164 1.719 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.301 3.959 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.738 4.926 -0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.426 3.175 -0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.785 1.541 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.118 2.979 -0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.324 3.157 -2.344 1.00 0.00 H new ATOM 1011 N ASN A 75 -7.779 5.951 1.800 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.003 7.067 2.287 1.00 0.00 C ATOM 1013 C ASN A 75 -6.460 6.731 3.670 1.00 0.00 C ATOM 1014 O ASN A 75 -5.324 7.064 4.013 1.00 0.00 O ATOM 1015 CB ASN A 75 -7.915 8.293 2.332 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.196 9.569 1.994 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.450 10.120 2.805 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.422 10.044 0.782 1.00 0.00 N ATOM 0 H ASN A 75 -8.747 6.188 1.582 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.156 7.276 1.633 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.741 8.151 1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.350 8.380 3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.969 10.906 0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.049 9.548 0.149 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.289 6.040 4.445 1.00 0.00 N ATOM 1024 CA GLU A 76 -6.923 5.609 5.787 1.00 0.00 C ATOM 1025 C GLU A 76 -5.911 4.466 5.716 1.00 0.00 C ATOM 1026 O GLU A 76 -4.813 4.561 6.268 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.172 5.165 6.554 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.388 5.921 7.854 1.00 0.00 C ATOM 1029 CD GLU A 76 -9.613 5.444 8.609 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -10.721 5.945 8.321 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -9.465 4.569 9.488 1.00 0.00 O ATOM 0 H GLU A 76 -8.229 5.764 4.161 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.466 6.446 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.046 5.298 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.095 4.100 6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.508 5.806 8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.490 6.985 7.639 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.282 3.387 5.017 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.396 2.235 4.861 1.00 0.00 C ATOM 1040 C VAL A 77 -4.008 2.687 4.455 1.00 0.00 C ATOM 1041 O VAL A 77 -3.015 2.336 5.093 1.00 0.00 O ATOM 1042 CB VAL A 77 -5.905 1.252 3.793 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.171 -0.076 3.897 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.399 1.054 3.919 1.00 0.00 C ATOM 0 H VAL A 77 -7.186 3.291 4.554 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.372 1.730 5.827 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.702 1.676 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.544 -0.759 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.103 0.086 3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.339 -0.508 4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.739 0.355 3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.631 0.653 4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.905 2.010 3.787 1.00 0.00 H new ATOM 1048 N GLU A 78 -3.945 3.474 3.386 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.673 3.977 2.902 1.00 0.00 C ATOM 1050 C GLU A 78 -1.934 4.690 4.022 1.00 0.00 C ATOM 1051 O GLU A 78 -0.709 4.609 4.125 1.00 0.00 O ATOM 1052 CB GLU A 78 -2.879 4.920 1.715 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.706 4.943 0.749 1.00 0.00 C ATOM 1054 CD GLU A 78 -1.579 3.658 -0.045 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -2.622 3.118 -0.472 1.00 0.00 O ATOM 1056 OE2 GLU A 78 -0.438 3.190 -0.239 1.00 0.00 O ATOM 0 H GLU A 78 -4.756 3.773 2.844 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.073 3.132 2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.778 4.621 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.052 5.929 2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.823 5.781 0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.785 5.114 1.306 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.690 5.371 4.876 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.108 6.077 6.004 1.00 0.00 C ATOM 1065 C GLU A 79 -1.539 5.075 6.997 1.00 0.00 C ATOM 1066 O GLU A 79 -0.436 5.254 7.512 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.151 6.966 6.684 1.00 0.00 C ATOM 1068 CG GLU A 79 -2.620 8.334 7.079 1.00 0.00 C ATOM 1069 CD GLU A 79 -3.679 9.206 7.725 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -4.581 8.652 8.389 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -3.606 10.443 7.568 1.00 0.00 O ATOM 0 H GLU A 79 -3.705 5.447 4.806 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.304 6.717 5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.000 7.095 6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.523 6.459 7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.786 8.210 7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.230 8.838 6.194 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.287 4.001 7.239 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.829 2.960 8.146 1.00 0.00 C ATOM 1080 C LYS A 80 -0.607 2.276 7.548 1.00 0.00 C ATOM 1081 O LYS A 80 0.450 2.212 8.173 1.00 0.00 O ATOM 1082 CB LYS A 80 -2.940 1.939 8.408 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.117 1.597 9.878 1.00 0.00 C ATOM 1084 CD LYS A 80 -3.737 2.752 10.648 1.00 0.00 C ATOM 1085 CE LYS A 80 -5.254 2.652 10.674 1.00 0.00 C ATOM 1086 NZ LYS A 80 -5.885 3.524 9.645 1.00 0.00 N ATOM 0 H LYS A 80 -3.203 3.832 6.823 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.560 3.412 9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.880 2.330 8.019 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.721 1.026 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.749 0.714 9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.150 1.346 10.313 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.354 2.758 11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.441 3.696 10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.553 1.617 10.506 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.620 2.933 11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.895 3.642 9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.420 4.454 9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.781 3.086 8.708 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.760 1.789 6.317 1.00 0.00 N ATOM 1101 CA LEU A 81 0.333 1.128 5.608 1.00 0.00 C ATOM 1102 C LEU A 81 1.570 2.027 5.584 1.00 0.00 C ATOM 1103 O LEU A 81 2.681 1.578 5.880 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.105 0.759 4.179 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.230 -0.742 3.879 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.079 -1.281 3.330 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.652 -1.526 5.116 1.00 0.00 C ATOM 0 H LEU A 81 -1.632 1.840 5.790 1.00 0.00 H new ATOM 0 HA LEU A 81 0.590 0.209 6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.068 1.230 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.610 1.191 3.478 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.008 -0.868 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.975 -2.346 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.332 -0.755 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.871 -1.130 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.731 -2.584 4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.091 -1.393 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.619 -1.163 5.465 1.00 0.00 H new ATOM 1113 N GLU A 82 1.374 3.308 5.262 1.00 0.00 N ATOM 1114 CA GLU A 82 2.480 4.255 5.239 1.00 0.00 C ATOM 1115 C GLU A 82 3.050 4.405 6.641 1.00 0.00 C ATOM 1116 O GLU A 82 4.266 4.389 6.840 1.00 0.00 O ATOM 1117 CB GLU A 82 2.006 5.609 4.717 1.00 0.00 C ATOM 1118 CG GLU A 82 3.124 6.486 4.184 1.00 0.00 C ATOM 1119 CD GLU A 82 2.699 7.294 2.974 1.00 0.00 C ATOM 1120 OE1 GLU A 82 2.543 6.699 1.888 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.520 8.523 3.113 1.00 0.00 O ATOM 0 H GLU A 82 0.467 3.706 5.017 1.00 0.00 H new ATOM 0 HA GLU A 82 3.257 3.880 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.275 5.447 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.493 6.138 5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.457 7.163 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.977 5.861 3.919 1.00 0.00 H new ATOM 1128 N ARG A 83 2.152 4.531 7.613 1.00 0.00 N ATOM 1129 CA ARG A 83 2.546 4.661 9.009 1.00 0.00 C ATOM 1130 C ARG A 83 3.444 3.497 9.408 1.00 0.00 C ATOM 1131 O ARG A 83 4.517 3.692 9.981 1.00 0.00 O ATOM 1132 CB ARG A 83 1.311 4.703 9.911 1.00 0.00 C ATOM 1133 CG ARG A 83 0.810 6.111 10.195 1.00 0.00 C ATOM 1134 CD ARG A 83 -0.591 6.096 10.788 1.00 0.00 C ATOM 1135 NE ARG A 83 -0.706 6.987 11.940 1.00 0.00 N ATOM 1136 CZ ARG A 83 -0.279 6.678 13.162 1.00 0.00 C ATOM 1137 NH1 ARG A 83 0.296 5.504 13.395 1.00 0.00 N ATOM 1138 NH2 ARG A 83 -0.425 7.545 14.155 1.00 0.00 N ATOM 0 H ARG A 83 1.144 4.546 7.457 1.00 0.00 H new ATOM 0 HA ARG A 83 3.097 5.594 9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.511 4.129 9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.545 4.212 10.856 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.492 6.609 10.884 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.809 6.691 9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.311 6.394 10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.847 5.080 11.088 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.139 7.900 11.799 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.412 4.833 12.635 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.621 5.273 14.334 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.865 8.449 13.982 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.098 7.308 15.091 1.00 0.00 H new ATOM 1152 N GLN A 84 3.008 2.283 9.078 1.00 0.00 N ATOM 1153 CA GLN A 84 3.790 1.091 9.381 1.00 0.00 C ATOM 1154 C GLN A 84 5.100 1.140 8.608 1.00 0.00 C ATOM 1155 O GLN A 84 6.146 0.723 9.107 1.00 0.00 O ATOM 1156 CB GLN A 84 3.017 -0.190 9.037 1.00 0.00 C ATOM 1157 CG GLN A 84 1.506 -0.051 9.138 1.00 0.00 C ATOM 1158 CD GLN A 84 0.838 -1.283 9.717 1.00 0.00 C ATOM 1159 OE1 GLN A 84 1.504 -2.236 10.119 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.489 -1.265 9.761 1.00 0.00 N ATOM 0 H GLN A 84 2.123 2.101 8.604 1.00 0.00 H new ATOM 0 HA GLN A 84 3.994 1.073 10.452 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.276 -0.496 8.023 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.343 -0.988 9.704 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.266 0.812 9.759 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.097 0.146 8.147 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.000 -0.452 9.416 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.998 -2.064 10.140 1.00 0.00 H new ATOM 1167 N LEU A 85 5.039 1.685 7.393 1.00 0.00 N ATOM 1168 CA LEU A 85 6.229 1.826 6.559 1.00 0.00 C ATOM 1169 C LEU A 85 7.259 2.681 7.287 1.00 0.00 C ATOM 1170 O LEU A 85 8.371 2.232 7.589 1.00 0.00 O ATOM 1171 CB LEU A 85 5.866 2.477 5.220 1.00 0.00 C ATOM 1172 CG LEU A 85 5.899 1.548 4.003 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.873 1.994 2.971 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.297 1.515 3.395 1.00 0.00 C ATOM 0 H LEU A 85 4.181 2.034 6.967 1.00 0.00 H new ATOM 0 HA LEU A 85 6.647 0.838 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.866 2.903 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.552 3.305 5.041 1.00 0.00 H new ATOM 0 HG LEU A 85 5.645 0.539 4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.907 1.325 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.877 1.966 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.099 3.010 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.303 0.850 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.581 2.520 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.008 1.152 4.137 1.00 0.00 H new ATOM 1180 N ASN A 86 6.864 3.918 7.584 1.00 0.00 N ATOM 1181 CA ASN A 86 7.729 4.844 8.296 1.00 0.00 C ATOM 1182 C ASN A 86 8.171 4.229 9.615 1.00 0.00 C ATOM 1183 O ASN A 86 9.338 4.319 9.994 1.00 0.00 O ATOM 1184 CB ASN A 86 7.006 6.171 8.545 1.00 0.00 C ATOM 1185 CG ASN A 86 7.873 7.371 8.217 1.00 0.00 C ATOM 1186 OD1 ASN A 86 9.097 7.263 8.129 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.241 8.526 8.034 1.00 0.00 N ATOM 0 H ASN A 86 5.949 4.298 7.340 1.00 0.00 H new ATOM 0 HA ASN A 86 8.609 5.042 7.684 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.098 6.206 7.942 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.697 6.223 9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.772 9.368 7.811 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.225 8.570 8.116 1.00 0.00 H new ATOM 1192 N LYS A 87 7.232 3.581 10.302 1.00 0.00 N ATOM 1193 CA LYS A 87 7.535 2.928 11.569 1.00 0.00 C ATOM 1194 C LYS A 87 8.653 1.921 11.371 1.00 0.00 C ATOM 1195 O LYS A 87 9.611 1.878 12.143 1.00 0.00 O ATOM 1196 CB LYS A 87 6.300 2.211 12.116 1.00 0.00 C ATOM 1197 CG LYS A 87 5.769 2.808 13.409 1.00 0.00 C ATOM 1198 CD LYS A 87 4.251 2.745 13.468 1.00 0.00 C ATOM 1199 CE LYS A 87 3.711 3.453 14.699 1.00 0.00 C ATOM 1200 NZ LYS A 87 2.524 2.755 15.267 1.00 0.00 N ATOM 0 H LYS A 87 6.261 3.496 10.003 1.00 0.00 H new ATOM 0 HA LYS A 87 7.845 3.690 12.284 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.512 2.238 11.363 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.544 1.162 12.284 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.190 2.271 14.259 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.095 3.845 13.494 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.832 3.202 12.571 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.929 1.704 13.476 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.493 3.512 15.456 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.440 4.476 14.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.187 3.270 16.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.768 2.720 14.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.788 1.787 15.539 1.00 0.00 H new ATOM 1214 N LEU A 88 8.527 1.116 10.321 1.00 0.00 N ATOM 1215 CA LEU A 88 9.543 0.117 10.021 1.00 0.00 C ATOM 1216 C LEU A 88 10.878 0.809 9.824 1.00 0.00 C ATOM 1217 O LEU A 88 11.847 0.552 10.538 1.00 0.00 O ATOM 1218 CB LEU A 88 9.204 -0.688 8.753 1.00 0.00 C ATOM 1219 CG LEU A 88 9.206 -2.210 8.906 1.00 0.00 C ATOM 1220 CD1 LEU A 88 10.458 -2.695 9.627 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.951 -2.657 9.632 1.00 0.00 C ATOM 0 H LEU A 88 7.741 1.136 9.671 1.00 0.00 H new ATOM 0 HA LEU A 88 9.585 -0.578 10.860 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.219 -0.379 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.918 -0.420 7.974 1.00 0.00 H new ATOM 0 HG LEU A 88 9.214 -2.656 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.427 -3.781 9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.341 -2.404 9.058 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.502 -2.248 10.620 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.959 -3.742 9.738 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.918 -2.196 10.619 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.073 -2.354 9.061 1.00 0.00 H new ATOM 1227 N GLN A 89 10.904 1.701 8.844 1.00 0.00 N ATOM 1228 CA GLN A 89 12.110 2.461 8.533 1.00 0.00 C ATOM 1229 C GLN A 89 12.603 3.220 9.764 1.00 0.00 C ATOM 1230 O GLN A 89 13.797 3.479 9.908 1.00 0.00 O ATOM 1231 CB GLN A 89 11.846 3.434 7.383 1.00 0.00 C ATOM 1232 CG GLN A 89 11.626 2.744 6.049 1.00 0.00 C ATOM 1233 CD GLN A 89 10.548 3.401 5.222 1.00 0.00 C ATOM 1234 OE1 GLN A 89 9.961 4.405 5.623 1.00 0.00 O ATOM 1235 NE2 GLN A 89 10.283 2.830 4.057 1.00 0.00 N ATOM 0 H GLN A 89 10.104 1.918 8.249 1.00 0.00 H new ATOM 0 HA GLN A 89 12.886 1.759 8.227 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.970 4.037 7.621 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.690 4.119 7.295 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.560 2.744 5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 89 11.359 1.702 6.224 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.797 1.998 3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.565 3.222 3.448 1.00 0.00 H new ATOM 1242 N HIS A 90 11.675 3.563 10.656 1.00 0.00 N ATOM 1243 CA HIS A 90 12.016 4.280 11.879 1.00 0.00 C ATOM 1244 C HIS A 90 12.661 3.339 12.881 1.00 0.00 C ATOM 1245 O HIS A 90 13.740 3.610 13.407 1.00 0.00 O ATOM 1246 CB HIS A 90 10.764 4.887 12.520 1.00 0.00 C ATOM 1247 CG HIS A 90 10.345 6.213 11.952 1.00 0.00 C ATOM 1248 ND1 HIS A 90 9.087 6.443 11.435 1.00 0.00 N ATOM 1249 CD2 HIS A 90 11.016 7.389 11.834 1.00 0.00 C ATOM 1250 CE1 HIS A 90 9.002 7.694 11.022 1.00 0.00 C ATOM 1251 NE2 HIS A 90 10.156 8.289 11.253 1.00 0.00 N ATOM 0 H HIS A 90 10.682 3.355 10.553 1.00 0.00 H new ATOM 0 HA HIS A 90 12.712 5.075 11.613 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.939 4.183 12.410 1.00 0.00 H new ATOM 0 HB3 HIS A 90 10.941 5.005 13.589 1.00 0.00 H new ATOM 0 HD2 HIS A 90 12.034 7.580 12.140 1.00 0.00 H new ATOM 0 HE1 HIS A 90 8.134 8.153 10.571 1.00 0.00 H new ATOM 0 HE2 HIS A 90 10.375 9.261 11.035 1.00 0.00 H new ATOM 1260 N LYS A 91 11.975 2.235 13.150 1.00 0.00 N ATOM 1261 CA LYS A 91 12.451 1.246 14.103 1.00 0.00 C ATOM 1262 C LYS A 91 13.923 0.909 13.865 1.00 0.00 C ATOM 1263 O LYS A 91 14.507 1.309 12.858 1.00 0.00 O ATOM 1264 CB LYS A 91 11.599 -0.024 14.020 1.00 0.00 C ATOM 1265 CG LYS A 91 10.938 -0.399 15.335 1.00 0.00 C ATOM 1266 CD LYS A 91 9.533 0.170 15.435 1.00 0.00 C ATOM 1267 CE LYS A 91 9.554 1.676 15.641 1.00 0.00 C ATOM 1268 NZ LYS A 91 8.215 2.287 15.420 1.00 0.00 N ATOM 0 H LYS A 91 11.081 2.003 12.717 1.00 0.00 H new ATOM 0 HA LYS A 91 12.360 1.672 15.102 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.828 0.114 13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.226 -0.852 13.689 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.899 -1.484 15.427 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.541 -0.030 16.165 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.978 -0.066 14.527 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.006 -0.304 16.263 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.892 1.899 16.653 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.275 2.125 14.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.020 2.978 16.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.200 2.766 14.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.487 1.544 15.436 1.00 0.00 H new ATOM 1282 N SER A 92 14.514 0.170 14.799 1.00 0.00 N ATOM 1283 CA SER A 92 15.915 -0.220 14.690 1.00 0.00 C ATOM 1284 C SER A 92 16.045 -1.640 14.152 1.00 0.00 C ATOM 1285 O SER A 92 16.847 -1.905 13.257 1.00 0.00 O ATOM 1286 CB SER A 92 16.603 -0.114 16.053 1.00 0.00 C ATOM 1287 OG SER A 92 16.160 1.029 16.762 1.00 0.00 O ATOM 0 H SER A 92 14.045 -0.170 15.638 1.00 0.00 H new ATOM 0 HA SER A 92 16.401 0.460 13.990 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.397 -1.010 16.638 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.683 -0.064 15.915 1.00 0.00 H new ATOM 0 HG SER A 92 16.614 1.072 17.630 1.00 0.00 H new ATOM 1293 N GLU A 93 15.248 -2.552 14.701 1.00 0.00 N ATOM 1294 CA GLU A 93 15.273 -3.946 14.274 1.00 0.00 C ATOM 1295 C GLU A 93 13.910 -4.602 14.475 1.00 0.00 C ATOM 1296 O GLU A 93 13.817 -5.812 14.681 1.00 0.00 O ATOM 1297 CB GLU A 93 16.343 -4.719 15.049 1.00 0.00 C ATOM 1298 CG GLU A 93 16.234 -4.564 16.556 1.00 0.00 C ATOM 1299 CD GLU A 93 17.549 -4.823 17.266 1.00 0.00 C ATOM 1300 OE1 GLU A 93 18.460 -3.977 17.156 1.00 0.00 O ATOM 1301 OE2 GLU A 93 17.667 -5.875 17.930 1.00 0.00 O ATOM 0 H GLU A 93 14.577 -2.350 15.442 1.00 0.00 H new ATOM 0 HA GLU A 93 15.514 -3.970 13.211 1.00 0.00 H new ATOM 0 HB2 GLU A 93 16.271 -5.776 14.795 1.00 0.00 H new ATOM 0 HB3 GLU A 93 17.328 -4.380 14.728 1.00 0.00 H new ATOM 0 HG2 GLU A 93 15.892 -3.556 16.790 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.479 -5.253 16.935 1.00 0.00 H new ATOM 1308 N SER A 94 12.855 -3.795 14.414 1.00 0.00 N ATOM 1309 CA SER A 94 11.497 -4.297 14.590 1.00 0.00 C ATOM 1310 C SER A 94 11.342 -4.989 15.940 1.00 0.00 C ATOM 1311 O SER A 94 11.371 -6.217 16.028 1.00 0.00 O ATOM 1312 CB SER A 94 11.140 -5.268 13.463 1.00 0.00 C ATOM 1313 OG SER A 94 11.616 -4.798 12.214 1.00 0.00 O ATOM 0 H SER A 94 12.915 -2.791 14.244 1.00 0.00 H new ATOM 0 HA SER A 94 10.816 -3.447 14.558 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.569 -6.248 13.674 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.058 -5.396 13.418 1.00 0.00 H new ATOM 0 HG SER A 94 11.376 -5.437 11.511 1.00 0.00 H new ATOM 1319 N ARG A 95 11.178 -4.194 16.992 1.00 0.00 N ATOM 1320 CA ARG A 95 11.020 -4.730 18.339 1.00 0.00 C ATOM 1321 C ARG A 95 9.960 -3.951 19.114 1.00 0.00 C ATOM 1322 O ARG A 95 8.842 -4.428 19.304 1.00 0.00 O ATOM 1323 CB ARG A 95 12.355 -4.686 19.086 1.00 0.00 C ATOM 1324 CG ARG A 95 13.099 -6.011 19.077 1.00 0.00 C ATOM 1325 CD ARG A 95 12.360 -7.071 19.878 1.00 0.00 C ATOM 1326 NE ARG A 95 11.437 -7.840 19.047 1.00 0.00 N ATOM 1327 CZ ARG A 95 10.430 -8.564 19.530 1.00 0.00 C ATOM 1328 NH1 ARG A 95 10.212 -8.619 20.839 1.00 0.00 N ATOM 1329 NH2 ARG A 95 9.637 -9.232 18.704 1.00 0.00 N ATOM 0 H ARG A 95 11.151 -3.176 16.938 1.00 0.00 H new ATOM 0 HA ARG A 95 10.693 -5.766 18.257 1.00 0.00 H new ATOM 0 HB2 ARG A 95 12.988 -3.920 18.638 1.00 0.00 H new ATOM 0 HB3 ARG A 95 12.175 -4.387 20.118 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.225 -6.352 18.049 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.098 -5.871 19.491 1.00 0.00 H new ATOM 0 HD2 ARG A 95 13.081 -7.746 20.339 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.808 -6.594 20.688 1.00 0.00 H new ATOM 0 HE ARG A 95 11.572 -7.821 18.036 1.00 0.00 H new ATOM 0 HH11 ARG A 95 10.818 -8.105 21.479 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.439 -9.175 21.204 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.798 -9.191 17.698 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.865 -9.787 19.075 1.00 0.00 H new ATOM 1343 N ARG A 96 10.322 -2.753 19.560 1.00 0.00 N ATOM 1344 CA ARG A 96 9.402 -1.910 20.315 1.00 0.00 C ATOM 1345 C ARG A 96 9.479 -0.461 19.844 1.00 0.00 C ATOM 1346 O ARG A 96 10.552 0.033 19.500 1.00 0.00 O ATOM 1347 CB ARG A 96 9.716 -1.990 21.811 1.00 0.00 C ATOM 1348 CG ARG A 96 9.800 -3.413 22.338 1.00 0.00 C ATOM 1349 CD ARG A 96 10.503 -3.469 23.685 1.00 0.00 C ATOM 1350 NE ARG A 96 9.593 -3.183 24.791 1.00 0.00 N ATOM 1351 CZ ARG A 96 8.739 -4.071 25.295 1.00 0.00 C ATOM 1352 NH1 ARG A 96 8.673 -5.299 24.795 1.00 0.00 N ATOM 1353 NH2 ARG A 96 7.945 -3.729 26.302 1.00 0.00 N ATOM 0 H ARG A 96 11.245 -2.344 19.412 1.00 0.00 H new ATOM 0 HA ARG A 96 8.389 -2.275 20.143 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.662 -1.484 22.003 1.00 0.00 H new ATOM 0 HB3 ARG A 96 8.947 -1.451 22.365 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.796 -3.826 22.433 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.335 -4.036 21.621 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.942 -4.457 23.824 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.323 -2.751 23.696 1.00 0.00 H new ATOM 0 HE ARG A 96 9.613 -2.249 25.201 1.00 0.00 H new ATOM 0 HH11 ARG A 96 9.279 -5.567 24.020 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.016 -5.974 25.186 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.989 -2.786 26.689 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.290 -4.409 26.689 1.00 0.00 H new ATOM 1367 N ALA A 97 8.333 0.213 19.832 1.00 0.00 N ATOM 1368 CA ALA A 97 8.270 1.604 19.402 1.00 0.00 C ATOM 1369 C ALA A 97 8.518 2.552 20.572 1.00 0.00 C ATOM 1370 O ALA A 97 7.895 2.429 21.626 1.00 0.00 O ATOM 1371 CB ALA A 97 6.924 1.896 18.760 1.00 0.00 C ATOM 0 H ALA A 97 7.436 -0.182 20.115 1.00 0.00 H new ATOM 0 HA ALA A 97 9.055 1.767 18.664 1.00 0.00 H new ATOM 0 HB1 ALA A 97 6.890 2.938 18.443 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.786 1.249 17.894 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.129 1.710 19.482 1.00 0.00 H new ATOM 1377 N ASP A 98 9.430 3.499 20.376 1.00 0.00 N ATOM 1378 CA ASP A 98 9.760 4.470 21.413 1.00 0.00 C ATOM 1379 C ASP A 98 10.766 5.495 20.898 1.00 0.00 C ATOM 1380 O ASP A 98 11.977 5.293 20.994 1.00 0.00 O ATOM 1381 CB ASP A 98 10.322 3.759 22.645 1.00 0.00 C ATOM 1382 CG ASP A 98 9.918 4.439 23.939 1.00 0.00 C ATOM 1383 OD1 ASP A 98 9.633 5.655 23.908 1.00 0.00 O ATOM 1384 OD2 ASP A 98 9.885 3.756 24.984 1.00 0.00 O ATOM 0 H ASP A 98 9.954 3.615 19.508 1.00 0.00 H new ATOM 0 HA ASP A 98 8.846 4.994 21.691 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.973 2.726 22.656 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.410 3.727 22.578 1.00 0.00 H new ATOM 1389 N GLU A 99 10.256 6.594 20.353 1.00 0.00 N ATOM 1390 CA GLU A 99 11.110 7.651 19.823 1.00 0.00 C ATOM 1391 C GLU A 99 10.502 9.025 20.087 1.00 0.00 C ATOM 1392 O GLU A 99 11.149 9.900 20.662 1.00 0.00 O ATOM 1393 CB GLU A 99 11.331 7.455 18.322 1.00 0.00 C ATOM 1394 CG GLU A 99 10.060 7.128 17.553 1.00 0.00 C ATOM 1395 CD GLU A 99 10.266 6.029 16.530 1.00 0.00 C ATOM 1396 OE1 GLU A 99 11.188 6.158 15.696 1.00 0.00 O ATOM 1397 OE2 GLU A 99 9.506 5.039 16.560 1.00 0.00 O ATOM 0 H GLU A 99 9.256 6.776 20.267 1.00 0.00 H new ATOM 0 HA GLU A 99 12.072 7.596 20.333 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.772 8.361 17.908 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.052 6.652 18.172 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.283 6.826 18.255 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.703 8.026 17.049 1.00 0.00 H new ATOM 1404 N ARG A 100 9.256 9.208 19.663 1.00 0.00 N ATOM 1405 CA ARG A 100 8.560 10.475 19.855 1.00 0.00 C ATOM 1406 C ARG A 100 9.309 11.619 19.177 1.00 0.00 C ATOM 1407 O ARG A 100 10.388 12.016 19.619 1.00 0.00 O ATOM 1408 CB ARG A 100 8.396 10.771 21.347 1.00 0.00 C ATOM 1409 CG ARG A 100 7.341 9.914 22.025 1.00 0.00 C ATOM 1410 CD ARG A 100 5.955 10.523 21.885 1.00 0.00 C ATOM 1411 NE ARG A 100 5.161 10.361 23.101 1.00 0.00 N ATOM 1412 CZ ARG A 100 4.063 11.064 23.368 1.00 0.00 C ATOM 1413 NH1 ARG A 100 3.625 11.976 22.509 1.00 0.00 N ATOM 1414 NH2 ARG A 100 3.400 10.853 24.497 1.00 0.00 N ATOM 0 H ARG A 100 8.707 8.494 19.184 1.00 0.00 H new ATOM 0 HA ARG A 100 7.574 10.390 19.398 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.353 10.618 21.847 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.135 11.822 21.474 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.347 8.915 21.589 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.585 9.802 23.081 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.047 11.584 21.651 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.436 10.055 21.048 1.00 0.00 H new ATOM 0 HE ARG A 100 5.466 9.669 23.785 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.131 12.141 21.639 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.783 12.512 22.719 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.732 10.152 25.160 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.558 11.391 24.702 1.00 0.00 H new ATOM 1428 N LEU A 101 8.731 12.144 18.102 1.00 0.00 N ATOM 1429 CA LEU A 101 9.343 13.242 17.364 1.00 0.00 C ATOM 1430 C LEU A 101 9.117 14.571 18.080 1.00 0.00 C ATOM 1431 O LEU A 101 10.029 15.390 18.192 1.00 0.00 O ATOM 1432 CB LEU A 101 8.779 13.307 15.943 1.00 0.00 C ATOM 1433 CG LEU A 101 9.758 12.907 14.838 1.00 0.00 C ATOM 1434 CD1 LEU A 101 11.030 13.737 14.928 1.00 0.00 C ATOM 1435 CD2 LEU A 101 10.080 11.423 14.925 1.00 0.00 C ATOM 0 H LEU A 101 7.839 11.826 17.722 1.00 0.00 H new ATOM 0 HA LEU A 101 10.416 13.059 17.310 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.905 12.658 15.885 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.434 14.323 15.752 1.00 0.00 H new ATOM 0 HG LEU A 101 9.289 13.101 13.873 1.00 0.00 H new ATOM 0 HD11 LEU A 101 11.716 13.439 14.135 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.784 14.793 14.818 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.503 13.574 15.896 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.778 11.155 14.132 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.530 11.205 15.893 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.163 10.845 14.812 1.00 0.00 H new ATOM 1441 N LYS A 102 7.896 14.777 18.562 1.00 0.00 N ATOM 1442 CA LYS A 102 7.549 16.006 19.267 1.00 0.00 C ATOM 1443 C LYS A 102 7.719 17.220 18.362 1.00 0.00 C ATOM 1444 O LYS A 102 8.373 17.146 17.321 1.00 0.00 O ATOM 1445 CB LYS A 102 8.415 16.162 20.518 1.00 0.00 C ATOM 1446 CG LYS A 102 8.241 15.035 21.523 1.00 0.00 C ATOM 1447 CD LYS A 102 9.097 15.254 22.760 1.00 0.00 C ATOM 1448 CE LYS A 102 8.540 16.366 23.633 1.00 0.00 C ATOM 1449 NZ LYS A 102 9.620 17.151 24.291 1.00 0.00 N ATOM 0 H LYS A 102 7.130 14.109 18.477 1.00 0.00 H new ATOM 0 HA LYS A 102 6.502 15.942 19.563 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.462 16.214 20.221 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.174 17.109 21.001 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.193 14.963 21.813 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.509 14.086 21.057 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.150 14.330 23.336 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.115 15.501 22.460 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.927 17.031 23.025 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.888 15.938 24.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.198 17.899 24.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.190 16.522 24.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.228 17.582 23.565 1.00 0.00 H new ATOM 1463 N ASP A 103 7.126 18.340 18.765 1.00 0.00 N ATOM 1464 CA ASP A 103 7.210 19.575 17.992 1.00 0.00 C ATOM 1465 C ASP A 103 6.532 19.414 16.633 1.00 0.00 C ATOM 1466 O ASP A 103 5.393 19.840 16.444 1.00 0.00 O ATOM 1467 CB ASP A 103 8.672 19.989 17.807 1.00 0.00 C ATOM 1468 CG ASP A 103 9.108 21.035 18.814 1.00 0.00 C ATOM 1469 OD1 ASP A 103 8.918 20.806 20.028 1.00 0.00 O ATOM 1470 OD2 ASP A 103 9.641 22.082 18.390 1.00 0.00 O ATOM 0 H ASP A 103 6.581 18.418 19.624 1.00 0.00 H new ATOM 0 HA ASP A 103 6.689 20.357 18.544 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.310 19.110 17.900 1.00 0.00 H new ATOM 0 HB3 ASP A 103 8.812 20.379 16.799 1.00 0.00 H new ATOM 1475 N SER A 104 7.240 18.799 15.690 1.00 0.00 N ATOM 1476 CA SER A 104 6.705 18.584 14.350 1.00 0.00 C ATOM 1477 C SER A 104 6.389 19.912 13.669 1.00 0.00 C ATOM 1478 O SER A 104 5.502 20.648 14.100 1.00 0.00 O ATOM 1479 CB SER A 104 5.444 17.719 14.414 1.00 0.00 C ATOM 1480 OG SER A 104 5.452 16.889 15.563 1.00 0.00 O ATOM 0 H SER A 104 8.185 18.441 15.829 1.00 0.00 H new ATOM 0 HA SER A 104 7.464 18.067 13.763 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.561 18.358 14.430 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.376 17.103 13.517 1.00 0.00 H new ATOM 0 HG SER A 104 4.635 16.348 15.581 1.00 0.00 H new ATOM 1486 N PHE A 105 7.122 20.212 12.601 1.00 0.00 N ATOM 1487 CA PHE A 105 6.920 21.451 11.858 1.00 0.00 C ATOM 1488 C PHE A 105 6.358 21.168 10.470 1.00 0.00 C ATOM 1489 O PHE A 105 6.927 20.387 9.707 1.00 0.00 O ATOM 1490 CB PHE A 105 8.237 22.220 11.741 1.00 0.00 C ATOM 1491 CG PHE A 105 8.067 23.631 11.256 1.00 0.00 C ATOM 1492 CD1 PHE A 105 7.789 24.656 12.148 1.00 0.00 C ATOM 1493 CD2 PHE A 105 8.184 23.934 9.909 1.00 0.00 C ATOM 1494 CE1 PHE A 105 7.632 25.955 11.704 1.00 0.00 C ATOM 1495 CE2 PHE A 105 8.029 25.232 9.459 1.00 0.00 C ATOM 1496 CZ PHE A 105 7.751 26.244 10.358 1.00 0.00 C ATOM 0 H PHE A 105 7.861 19.614 12.231 1.00 0.00 H new ATOM 0 HA PHE A 105 6.199 22.059 12.404 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.727 22.236 12.715 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.900 21.687 11.059 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.694 24.436 13.201 1.00 0.00 H new ATOM 0 HD2 PHE A 105 8.399 23.146 9.202 1.00 0.00 H new ATOM 0 HE1 PHE A 105 7.416 26.744 12.409 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.125 25.455 8.407 1.00 0.00 H new ATOM 0 HZ PHE A 105 7.627 27.259 10.009 1.00 0.00 H new ATOM 1506 N GLU A 106 5.238 21.807 10.148 1.00 0.00 N ATOM 1507 CA GLU A 106 4.598 21.625 8.851 1.00 0.00 C ATOM 1508 C GLU A 106 4.096 22.954 8.299 1.00 0.00 C ATOM 1509 O GLU A 106 4.139 23.977 8.982 1.00 0.00 O ATOM 1510 CB GLU A 106 3.437 20.635 8.966 1.00 0.00 C ATOM 1511 CG GLU A 106 2.353 21.081 9.934 1.00 0.00 C ATOM 1512 CD GLU A 106 1.049 20.333 9.733 1.00 0.00 C ATOM 1513 OE1 GLU A 106 0.468 20.438 8.632 1.00 0.00 O ATOM 1514 OE2 GLU A 106 0.608 19.644 10.676 1.00 0.00 O ATOM 0 H GLU A 106 4.755 22.456 10.769 1.00 0.00 H new ATOM 0 HA GLU A 106 5.341 21.225 8.161 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.995 20.489 7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.825 19.668 9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.700 20.931 10.956 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.178 22.150 9.810 1.00 0.00 H new ATOM 1521 N ASN A 107 3.619 22.932 7.059 1.00 0.00 N ATOM 1522 CA ASN A 107 3.108 24.138 6.415 1.00 0.00 C ATOM 1523 C ASN A 107 1.587 24.201 6.510 1.00 0.00 C ATOM 1524 O ASN A 107 1.031 25.221 6.914 1.00 99.99 O ATOM 1525 CB ASN A 107 3.541 24.179 4.948 1.00 0.00 C ATOM 1526 CG ASN A 107 3.362 25.553 4.332 1.00 0.00 C ATOM 1527 OD1 ASN A 107 3.114 26.533 5.034 1.00 0.00 O ATOM 1528 ND2 ASN A 107 3.485 25.630 3.012 1.00 0.00 N ATOM 0 H ASN A 107 3.575 22.094 6.480 1.00 0.00 H new ATOM 0 HA ASN A 107 3.523 25.002 6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 107 4.587 23.883 4.872 1.00 0.00 H new ATOM 0 HB3 ASN A 107 2.962 23.451 4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 107 3.373 26.528 2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 107 3.691 24.791 2.469 1.00 0.00 H new TER 1533 ASN A 107