USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 753 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 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.8!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 155:sc= 0.184 (180deg=0.0472) USER MOD Single : A 12 GLN : amide:sc= -1.29! C(o=-1.3!,f=-3.2!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -160:sc= 0.304 USER MOD Single : A 24 THR OG1 : rot 120:sc= -0.093 USER MOD Single : A 27 GLN : amide:sc= -0.578 K(o=-0.58,f=-4.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.546 K(o=-0.55,f=-2.1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -2.94 F(o=-3.5!,f=-2.9) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.14) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 143:sc= -0.333 (180deg=-0.963) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -7.93! C(o=-9.9!,f=-7.9!) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0357 USER MOD Single : A 52 HIS : no HD1:sc= -0.335 X(o=-0.34,f=-0.55) USER MOD Single : A 58 MET CE :methyl -155:sc= -9.73! (180deg=-9.9!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -4.29! C(o=-4.3!,f=-7.9!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 73.677 -2.867 -13.247 1.00 0.00 N ATOM 37 CA THR A 3 72.816 -3.259 -14.390 1.00 0.00 C ATOM 38 C THR A 3 72.113 -2.019 -14.958 1.00 0.00 C ATOM 39 O THR A 3 72.475 -0.898 -14.664 1.00 0.00 O ATOM 40 CB THR A 3 71.797 -4.321 -13.926 1.00 0.00 C ATOM 41 OG1 THR A 3 71.682 -5.323 -14.926 1.00 0.00 O ATOM 42 CG2 THR A 3 70.415 -3.702 -13.673 1.00 0.00 C ATOM 0 HA THR A 3 73.425 -3.694 -15.183 1.00 0.00 H new ATOM 0 HB THR A 3 72.154 -4.751 -12.990 1.00 0.00 H new ATOM 0 HG1 THR A 3 71.037 -6.002 -14.636 1.00 0.00 H new ATOM 0 HG21 THR A 3 69.723 -4.478 -13.348 1.00 0.00 H new ATOM 0 HG22 THR A 3 70.494 -2.939 -12.899 1.00 0.00 H new ATOM 0 HG23 THR A 3 70.046 -3.249 -14.593 1.00 0.00 H new ATOM 50 N LYS A 4 71.112 -2.219 -15.773 1.00 0.00 N ATOM 51 CA LYS A 4 70.385 -1.060 -16.365 1.00 0.00 C ATOM 52 C LYS A 4 70.161 0.017 -15.300 1.00 0.00 C ATOM 53 O LYS A 4 70.953 0.925 -15.148 1.00 0.00 O ATOM 54 CB LYS A 4 69.033 -1.531 -16.905 1.00 0.00 C ATOM 55 CG LYS A 4 68.227 -0.323 -17.387 1.00 0.00 C ATOM 56 CD LYS A 4 67.434 -0.704 -18.639 1.00 0.00 C ATOM 57 CE LYS A 4 65.971 -0.299 -18.460 1.00 0.00 C ATOM 58 NZ LYS A 4 65.090 -1.447 -18.819 1.00 0.00 N ATOM 0 H LYS A 4 70.766 -3.136 -16.054 1.00 0.00 H new ATOM 0 HA LYS A 4 70.980 -0.641 -17.177 1.00 0.00 H new ATOM 0 HB2 LYS A 4 69.182 -2.233 -17.725 1.00 0.00 H new ATOM 0 HB3 LYS A 4 68.484 -2.061 -16.127 1.00 0.00 H new ATOM 0 HG2 LYS A 4 67.549 0.011 -16.602 1.00 0.00 H new ATOM 0 HG3 LYS A 4 68.896 0.509 -17.607 1.00 0.00 H new ATOM 0 HD2 LYS A 4 67.855 -0.208 -19.514 1.00 0.00 H new ATOM 0 HD3 LYS A 4 67.506 -1.777 -18.815 1.00 0.00 H new ATOM 0 HE2 LYS A 4 65.790 0.004 -17.429 1.00 0.00 H new ATOM 0 HE3 LYS A 4 65.741 0.561 -19.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 64.094 -1.172 -18.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 65.256 -1.716 -19.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 65.304 -2.255 -18.201 1.00 0.00 H new ATOM 72 N GLU A 5 69.081 -0.069 -14.571 1.00 0.00 N ATOM 73 CA GLU A 5 68.803 0.957 -13.532 1.00 0.00 C ATOM 74 C GLU A 5 69.415 0.537 -12.204 1.00 0.00 C ATOM 75 O GLU A 5 69.053 1.024 -11.151 1.00 0.00 O ATOM 76 CB GLU A 5 67.299 1.121 -13.366 1.00 0.00 C ATOM 77 CG GLU A 5 66.876 2.513 -13.835 1.00 0.00 C ATOM 78 CD GLU A 5 65.418 2.763 -13.446 1.00 0.00 C ATOM 79 OE1 GLU A 5 64.780 1.829 -12.988 1.00 0.00 O ATOM 80 OE2 GLU A 5 64.964 3.883 -13.613 1.00 0.00 O ATOM 0 H GLU A 5 68.381 -0.806 -14.652 1.00 0.00 H new ATOM 0 HA GLU A 5 69.243 1.904 -13.844 1.00 0.00 H new ATOM 0 HB2 GLU A 5 66.775 0.358 -13.942 1.00 0.00 H new ATOM 0 HB3 GLU A 5 67.021 0.979 -12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 5 67.518 3.270 -13.385 1.00 0.00 H new ATOM 0 HG3 GLU A 5 66.994 2.596 -14.915 1.00 0.00 H new ATOM 87 N GLU A 6 70.349 -0.347 -12.258 1.00 0.00 N ATOM 88 CA GLU A 6 71.022 -0.807 -11.014 1.00 0.00 C ATOM 89 C GLU A 6 72.139 0.162 -10.656 1.00 0.00 C ATOM 90 O GLU A 6 72.899 -0.041 -9.729 1.00 0.00 O ATOM 91 CB GLU A 6 71.608 -2.190 -11.243 1.00 0.00 C ATOM 92 CG GLU A 6 70.575 -3.255 -10.873 1.00 0.00 C ATOM 93 CD GLU A 6 70.465 -3.355 -9.350 1.00 0.00 C ATOM 94 OE1 GLU A 6 69.709 -2.586 -8.779 1.00 0.00 O ATOM 95 OE2 GLU A 6 71.139 -4.197 -8.781 1.00 0.00 O ATOM 0 H GLU A 6 70.686 -0.782 -13.117 1.00 0.00 H new ATOM 0 HA GLU A 6 70.299 -0.846 -10.199 1.00 0.00 H new ATOM 0 HB2 GLU A 6 71.903 -2.302 -12.286 1.00 0.00 H new ATOM 0 HB3 GLU A 6 72.508 -2.318 -10.642 1.00 0.00 H new ATOM 0 HG2 GLU A 6 69.606 -3.001 -11.302 1.00 0.00 H new ATOM 0 HG3 GLU A 6 70.866 -4.219 -11.291 1.00 0.00 H new ATOM 102 N LYS A 7 72.227 1.212 -11.394 1.00 0.00 N ATOM 103 CA LYS A 7 73.272 2.238 -11.148 1.00 0.00 C ATOM 104 C LYS A 7 72.866 3.559 -11.813 1.00 0.00 C ATOM 105 O LYS A 7 73.175 4.627 -11.326 1.00 0.00 O ATOM 106 CB LYS A 7 74.605 1.762 -11.729 1.00 0.00 C ATOM 107 CG LYS A 7 74.386 1.238 -13.150 1.00 0.00 C ATOM 108 CD LYS A 7 74.820 2.303 -14.160 1.00 0.00 C ATOM 109 CE LYS A 7 76.172 1.916 -14.761 1.00 0.00 C ATOM 110 NZ LYS A 7 76.817 3.122 -15.352 1.00 0.00 N ATOM 0 H LYS A 7 71.608 1.415 -12.179 1.00 0.00 H new ATOM 0 HA LYS A 7 73.379 2.392 -10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 7 75.323 2.582 -11.739 1.00 0.00 H new ATOM 0 HB3 LYS A 7 75.027 0.977 -11.102 1.00 0.00 H new ATOM 0 HG2 LYS A 7 74.957 0.322 -13.303 1.00 0.00 H new ATOM 0 HG3 LYS A 7 73.336 0.987 -13.299 1.00 0.00 H new ATOM 0 HD2 LYS A 7 74.073 2.397 -14.948 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.892 3.275 -13.671 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.814 1.487 -13.992 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.036 1.151 -15.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 77.736 2.859 -15.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 76.206 3.513 -16.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 76.960 3.838 -14.611 1.00 0.00 H new ATOM 124 N GLN A 8 72.180 3.495 -12.923 1.00 0.00 N ATOM 125 CA GLN A 8 71.761 4.746 -13.614 1.00 0.00 C ATOM 126 C GLN A 8 70.964 5.630 -12.651 1.00 0.00 C ATOM 127 O GLN A 8 70.780 6.808 -12.884 1.00 0.00 O ATOM 128 CB GLN A 8 70.888 4.392 -14.819 1.00 0.00 C ATOM 129 CG GLN A 8 71.771 3.872 -15.955 1.00 0.00 C ATOM 130 CD GLN A 8 71.027 4.010 -17.285 1.00 0.00 C ATOM 131 OE1 GLN A 8 71.126 5.024 -17.947 1.00 0.00 O ATOM 132 NE2 GLN A 8 70.281 3.026 -17.707 1.00 0.00 N ATOM 0 H GLN A 8 71.892 2.630 -13.380 1.00 0.00 H new ATOM 0 HA GLN A 8 72.647 5.286 -13.948 1.00 0.00 H new ATOM 0 HB2 GLN A 8 70.154 3.636 -14.540 1.00 0.00 H new ATOM 0 HB3 GLN A 8 70.332 5.270 -15.149 1.00 0.00 H new ATOM 0 HG2 GLN A 8 72.705 4.432 -15.989 1.00 0.00 H new ATOM 0 HG3 GLN A 8 72.032 2.828 -15.779 1.00 0.00 H new ATOM 0 HE21 GLN A 8 70.198 2.175 -17.152 1.00 0.00 H new ATOM 0 HE22 GLN A 8 69.781 3.108 -18.592 1.00 0.00 H new ATOM 141 N LYS A 9 70.485 5.073 -11.573 1.00 0.00 N ATOM 142 CA LYS A 9 69.701 5.880 -10.606 1.00 0.00 C ATOM 143 C LYS A 9 70.381 5.853 -9.235 1.00 0.00 C ATOM 144 O LYS A 9 70.067 6.637 -8.362 1.00 0.00 O ATOM 145 CB LYS A 9 68.287 5.307 -10.488 1.00 0.00 C ATOM 146 CG LYS A 9 67.268 6.367 -10.909 1.00 0.00 C ATOM 147 CD LYS A 9 66.141 6.431 -9.876 1.00 0.00 C ATOM 148 CE LYS A 9 65.145 7.521 -10.275 1.00 0.00 C ATOM 149 NZ LYS A 9 65.244 8.659 -9.319 1.00 0.00 N ATOM 0 H LYS A 9 70.605 4.091 -11.323 1.00 0.00 H new ATOM 0 HA LYS A 9 69.647 6.910 -10.959 1.00 0.00 H new ATOM 0 HB2 LYS A 9 68.188 4.423 -11.117 1.00 0.00 H new ATOM 0 HB3 LYS A 9 68.096 4.991 -9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 9 67.753 7.339 -10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 9 66.862 6.126 -11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 9 65.636 5.467 -9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 9 66.550 6.641 -8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 9 65.352 7.865 -11.288 1.00 0.00 H new ATOM 0 HE3 LYS A 9 64.132 7.120 -10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 64.921 9.532 -9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 64.648 8.468 -8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 66.232 8.773 -9.017 1.00 0.00 H new ATOM 163 N VAL A 10 71.308 4.956 -9.036 1.00 0.00 N ATOM 164 CA VAL A 10 71.999 4.882 -7.724 1.00 0.00 C ATOM 165 C VAL A 10 73.102 5.936 -7.663 1.00 0.00 C ATOM 166 O VAL A 10 73.014 6.902 -6.931 1.00 0.00 O ATOM 167 CB VAL A 10 72.614 3.493 -7.546 1.00 0.00 C ATOM 168 CG1 VAL A 10 73.443 3.462 -6.261 1.00 0.00 C ATOM 169 CG2 VAL A 10 71.497 2.451 -7.456 1.00 0.00 C ATOM 0 H VAL A 10 71.615 4.272 -9.728 1.00 0.00 H new ATOM 0 HA VAL A 10 71.278 5.066 -6.928 1.00 0.00 H new ATOM 0 HB VAL A 10 73.256 3.268 -8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.881 2.472 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 10 74.238 4.205 -6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 10 72.802 3.687 -5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.933 1.460 -7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.856 2.677 -6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.905 2.472 -8.371 1.00 0.00 H new ATOM 179 N ILE A 11 74.142 5.755 -8.424 1.00 0.00 N ATOM 180 CA ILE A 11 75.256 6.736 -8.416 1.00 0.00 C ATOM 181 C ILE A 11 74.858 7.956 -9.230 1.00 0.00 C ATOM 182 O ILE A 11 75.034 9.086 -8.825 1.00 0.00 O ATOM 183 CB ILE A 11 76.523 6.086 -8.996 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.674 6.316 -10.515 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.505 4.586 -8.712 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.777 5.352 -11.283 1.00 0.00 C ATOM 0 H ILE A 11 74.268 4.964 -9.055 1.00 0.00 H new ATOM 0 HA ILE A 11 75.466 7.049 -7.393 1.00 0.00 H new ATOM 0 HB ILE A 11 77.375 6.560 -8.510 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.412 7.345 -10.763 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.713 6.172 -10.811 1.00 0.00 H new ATOM 0 HG21 ILE A 11 77.404 4.127 -9.124 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.473 4.420 -7.635 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.625 4.139 -9.174 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.891 5.523 -12.353 1.00 0.00 H new ATOM 0 HD12 ILE A 11 76.059 4.326 -11.047 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.738 5.517 -10.998 1.00 0.00 H new ATOM 198 N GLN A 12 74.324 7.713 -10.378 1.00 0.00 N ATOM 199 CA GLN A 12 73.885 8.828 -11.271 1.00 0.00 C ATOM 200 C GLN A 12 73.266 9.918 -10.401 1.00 0.00 C ATOM 201 O GLN A 12 73.449 11.098 -10.625 1.00 0.00 O ATOM 202 CB GLN A 12 72.845 8.312 -12.267 1.00 0.00 C ATOM 203 CG GLN A 12 73.354 8.524 -13.694 1.00 0.00 C ATOM 204 CD GLN A 12 73.684 10.002 -13.906 1.00 0.00 C ATOM 205 OE1 GLN A 12 74.748 10.458 -13.537 1.00 0.00 O ATOM 206 NE2 GLN A 12 72.810 10.776 -14.487 1.00 0.00 N ATOM 0 H GLN A 12 74.165 6.778 -10.752 1.00 0.00 H new ATOM 0 HA GLN A 12 74.735 9.224 -11.826 1.00 0.00 H new ATOM 0 HB2 GLN A 12 72.652 7.254 -12.092 1.00 0.00 H new ATOM 0 HB3 GLN A 12 71.900 8.836 -12.125 1.00 0.00 H new ATOM 0 HG2 GLN A 12 74.240 7.914 -13.869 1.00 0.00 H new ATOM 0 HG3 GLN A 12 72.599 8.203 -14.412 1.00 0.00 H new ATOM 0 HE21 GLN A 12 71.917 10.394 -14.797 1.00 0.00 H new ATOM 0 HE22 GLN A 12 73.020 11.764 -14.631 1.00 0.00 H new ATOM 215 N GLU A 13 72.561 9.512 -9.385 1.00 0.00 N ATOM 216 CA GLU A 13 71.951 10.489 -8.456 1.00 0.00 C ATOM 217 C GLU A 13 72.941 10.755 -7.320 1.00 0.00 C ATOM 218 O GLU A 13 73.043 11.851 -6.808 1.00 0.00 O ATOM 219 CB GLU A 13 70.651 9.917 -7.886 1.00 0.00 C ATOM 220 CG GLU A 13 69.698 11.061 -7.540 1.00 0.00 C ATOM 221 CD GLU A 13 68.347 10.488 -7.108 1.00 0.00 C ATOM 222 OE1 GLU A 13 67.810 9.672 -7.840 1.00 0.00 O ATOM 223 OE2 GLU A 13 67.872 10.872 -6.052 1.00 0.00 O ATOM 0 H GLU A 13 72.382 8.534 -9.159 1.00 0.00 H new ATOM 0 HA GLU A 13 71.725 11.417 -8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.186 9.249 -8.612 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.862 9.324 -6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 13 70.119 11.670 -6.740 1.00 0.00 H new ATOM 0 HG3 GLU A 13 69.569 11.714 -8.403 1.00 0.00 H new ATOM 230 N PHE A 14 73.673 9.745 -6.927 1.00 0.00 N ATOM 231 CA PHE A 14 74.661 9.910 -5.831 1.00 0.00 C ATOM 232 C PHE A 14 75.998 10.388 -6.401 1.00 0.00 C ATOM 233 O PHE A 14 76.409 11.509 -6.176 1.00 0.00 O ATOM 234 CB PHE A 14 74.857 8.573 -5.115 1.00 0.00 C ATOM 235 CG PHE A 14 73.811 8.421 -4.037 1.00 0.00 C ATOM 236 CD1 PHE A 14 72.529 8.952 -4.226 1.00 0.00 C ATOM 237 CD2 PHE A 14 74.123 7.750 -2.849 1.00 0.00 C ATOM 238 CE1 PHE A 14 71.560 8.811 -3.226 1.00 0.00 C ATOM 239 CE2 PHE A 14 73.154 7.609 -1.850 1.00 0.00 C ATOM 240 CZ PHE A 14 71.872 8.140 -2.038 1.00 0.00 C ATOM 0 H PHE A 14 73.625 8.807 -7.325 1.00 0.00 H new ATOM 0 HA PHE A 14 74.290 10.651 -5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.782 7.752 -5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.854 8.525 -4.678 1.00 0.00 H new ATOM 0 HD1 PHE A 14 72.288 9.470 -5.143 1.00 0.00 H new ATOM 0 HD2 PHE A 14 75.112 7.341 -2.704 1.00 0.00 H new ATOM 0 HE1 PHE A 14 70.571 9.220 -3.371 1.00 0.00 H new ATOM 0 HE2 PHE A 14 73.395 7.091 -0.934 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.124 8.032 -1.266 1.00 0.00 H new ATOM 250 N ALA A 15 76.687 9.553 -7.134 1.00 0.00 N ATOM 251 CA ALA A 15 77.996 9.984 -7.702 1.00 0.00 C ATOM 252 C ALA A 15 77.821 11.316 -8.429 1.00 0.00 C ATOM 253 O ALA A 15 77.087 11.416 -9.391 1.00 0.00 O ATOM 254 CB ALA A 15 78.506 8.939 -8.695 1.00 0.00 C ATOM 0 H ALA A 15 76.403 8.600 -7.362 1.00 0.00 H new ATOM 0 HA ALA A 15 78.715 10.094 -6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.463 9.263 -9.105 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.634 7.984 -8.185 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.785 8.824 -9.504 1.00 0.00 H new ATOM 260 N ARG A 16 78.499 12.335 -7.986 1.00 0.00 N ATOM 261 CA ARG A 16 78.378 13.652 -8.667 1.00 0.00 C ATOM 262 C ARG A 16 79.476 13.763 -9.719 1.00 0.00 C ATOM 263 O ARG A 16 79.970 14.833 -10.016 1.00 0.00 O ATOM 264 CB ARG A 16 78.522 14.780 -7.645 1.00 0.00 C ATOM 265 CG ARG A 16 79.713 14.490 -6.729 1.00 0.00 C ATOM 266 CD ARG A 16 79.206 13.990 -5.375 1.00 0.00 C ATOM 267 NE ARG A 16 78.891 15.155 -4.502 1.00 0.00 N ATOM 268 CZ ARG A 16 79.858 15.836 -3.950 1.00 0.00 C ATOM 269 NH1 ARG A 16 80.499 15.345 -2.924 1.00 0.00 N ATOM 270 NH2 ARG A 16 80.182 17.008 -4.422 1.00 0.00 N ATOM 0 H ARG A 16 79.130 12.314 -7.185 1.00 0.00 H new ATOM 0 HA ARG A 16 77.401 13.734 -9.143 1.00 0.00 H new ATOM 0 HB2 ARG A 16 78.666 15.732 -8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 16 77.610 14.870 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 16 80.362 13.742 -7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 16 80.310 15.392 -6.595 1.00 0.00 H new ATOM 0 HD2 ARG A 16 78.317 13.374 -5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 16 79.960 13.361 -4.902 1.00 0.00 H new ATOM 0 HE ARG A 16 77.920 15.420 -4.336 1.00 0.00 H new ATOM 0 HH11 ARG A 16 80.244 14.429 -2.554 1.00 0.00 H new ATOM 0 HH12 ARG A 16 81.255 15.877 -2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 16 79.680 17.392 -5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 16 80.938 17.540 -3.991 1.00 0.00 H new ATOM 284 N PHE A 17 79.863 12.654 -10.278 1.00 0.00 N ATOM 285 CA PHE A 17 80.933 12.663 -11.309 1.00 0.00 C ATOM 286 C PHE A 17 80.990 11.284 -11.962 1.00 0.00 C ATOM 287 O PHE A 17 80.383 10.349 -11.479 1.00 0.00 O ATOM 288 CB PHE A 17 82.274 12.968 -10.634 1.00 0.00 C ATOM 289 CG PHE A 17 82.576 14.445 -10.744 1.00 0.00 C ATOM 290 CD1 PHE A 17 82.355 15.119 -11.951 1.00 0.00 C ATOM 291 CD2 PHE A 17 83.077 15.139 -9.636 1.00 0.00 C ATOM 292 CE1 PHE A 17 82.637 16.488 -12.049 1.00 0.00 C ATOM 293 CE2 PHE A 17 83.357 16.506 -9.735 1.00 0.00 C ATOM 294 CZ PHE A 17 83.137 17.181 -10.941 1.00 0.00 C ATOM 0 H PHE A 17 79.480 11.733 -10.063 1.00 0.00 H new ATOM 0 HA PHE A 17 80.727 13.422 -12.064 1.00 0.00 H new ATOM 0 HB2 PHE A 17 82.240 12.671 -9.586 1.00 0.00 H new ATOM 0 HB3 PHE A 17 83.069 12.389 -11.104 1.00 0.00 H new ATOM 0 HD1 PHE A 17 81.968 14.584 -12.806 1.00 0.00 H new ATOM 0 HD2 PHE A 17 83.247 14.619 -8.705 1.00 0.00 H new ATOM 0 HE1 PHE A 17 82.468 17.009 -12.980 1.00 0.00 H new ATOM 0 HE2 PHE A 17 83.743 17.041 -8.880 1.00 0.00 H new ATOM 0 HZ PHE A 17 83.353 18.236 -11.016 1.00 0.00 H new ATOM 304 N PRO A 18 81.731 11.191 -13.032 1.00 0.00 N ATOM 305 CA PRO A 18 81.900 9.926 -13.762 1.00 0.00 C ATOM 306 C PRO A 18 82.826 8.992 -12.978 1.00 0.00 C ATOM 307 O PRO A 18 83.128 7.894 -13.405 1.00 0.00 O ATOM 308 CB PRO A 18 82.524 10.358 -15.093 1.00 0.00 C ATOM 309 CG PRO A 18 83.175 11.738 -14.838 1.00 0.00 C ATOM 310 CD PRO A 18 82.469 12.333 -13.610 1.00 0.00 C ATOM 0 HA PRO A 18 80.971 9.375 -13.907 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.266 9.634 -15.428 1.00 0.00 H new ATOM 0 HB3 PRO A 18 81.767 10.423 -15.875 1.00 0.00 H new ATOM 0 HG2 PRO A 18 84.245 11.635 -14.658 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.059 12.388 -15.705 1.00 0.00 H new ATOM 0 HD2 PRO A 18 83.185 12.746 -12.899 1.00 0.00 H new ATOM 0 HD3 PRO A 18 81.795 13.143 -13.891 1.00 0.00 H new ATOM 318 N GLY A 19 83.272 9.419 -11.825 1.00 0.00 N ATOM 319 CA GLY A 19 84.168 8.563 -11.002 1.00 0.00 C ATOM 320 C GLY A 19 83.712 8.604 -9.540 1.00 0.00 C ATOM 321 O GLY A 19 84.316 7.993 -8.679 1.00 0.00 O ATOM 0 H GLY A 19 83.051 10.328 -11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 19 84.149 7.538 -11.371 1.00 0.00 H new ATOM 0 HA3 GLY A 19 85.197 8.912 -11.083 1.00 0.00 H new ATOM 325 N ASP A 20 82.650 9.313 -9.245 1.00 0.00 N ATOM 326 CA ASP A 20 82.172 9.375 -7.839 1.00 0.00 C ATOM 327 C ASP A 20 81.169 8.256 -7.593 1.00 0.00 C ATOM 328 O ASP A 20 80.414 8.270 -6.642 1.00 0.00 O ATOM 329 CB ASP A 20 81.522 10.733 -7.565 1.00 0.00 C ATOM 330 CG ASP A 20 82.252 11.428 -6.414 1.00 0.00 C ATOM 331 OD1 ASP A 20 83.259 12.064 -6.677 1.00 0.00 O ATOM 332 OD2 ASP A 20 81.792 11.311 -5.290 1.00 0.00 O ATOM 0 H ASP A 20 82.099 9.847 -9.917 1.00 0.00 H new ATOM 0 HA ASP A 20 83.020 9.252 -7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 20 81.560 11.353 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 20 80.470 10.600 -7.314 1.00 0.00 H new ATOM 337 N THR A 21 81.179 7.284 -8.446 1.00 0.00 N ATOM 338 CA THR A 21 80.252 6.126 -8.293 1.00 0.00 C ATOM 339 C THR A 21 80.961 5.044 -7.485 1.00 0.00 C ATOM 340 O THR A 21 80.338 4.186 -6.889 1.00 0.00 O ATOM 341 CB THR A 21 79.879 5.573 -9.674 1.00 0.00 C ATOM 342 OG1 THR A 21 80.772 4.521 -10.017 1.00 0.00 O ATOM 343 CG2 THR A 21 79.971 6.684 -10.723 1.00 0.00 C ATOM 0 H THR A 21 81.796 7.235 -9.257 1.00 0.00 H new ATOM 0 HA THR A 21 79.342 6.442 -7.782 1.00 0.00 H new ATOM 0 HB THR A 21 78.858 5.193 -9.645 1.00 0.00 H new ATOM 0 HG1 THR A 21 80.535 4.165 -10.899 1.00 0.00 H new ATOM 0 HG21 THR A 21 79.705 6.284 -11.701 1.00 0.00 H new ATOM 0 HG22 THR A 21 79.285 7.489 -10.461 1.00 0.00 H new ATOM 0 HG23 THR A 21 80.989 7.071 -10.754 1.00 0.00 H new ATOM 351 N GLY A 22 82.262 5.088 -7.451 1.00 0.00 N ATOM 352 CA GLY A 22 83.026 4.077 -6.673 1.00 0.00 C ATOM 353 C GLY A 22 83.432 4.688 -5.331 1.00 0.00 C ATOM 354 O GLY A 22 83.996 4.027 -4.481 1.00 0.00 O ATOM 0 H GLY A 22 82.832 5.785 -7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.418 3.186 -6.513 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.911 3.764 -7.228 1.00 0.00 H new ATOM 358 N SER A 23 83.150 5.950 -5.134 1.00 0.00 N ATOM 359 CA SER A 23 83.520 6.602 -3.846 1.00 0.00 C ATOM 360 C SER A 23 82.887 5.828 -2.689 1.00 0.00 C ATOM 361 O SER A 23 82.171 4.868 -2.891 1.00 0.00 O ATOM 362 CB SER A 23 83.008 8.043 -3.838 1.00 0.00 C ATOM 363 OG SER A 23 81.715 8.079 -3.249 1.00 0.00 O ATOM 0 H SER A 23 82.681 6.554 -5.808 1.00 0.00 H new ATOM 0 HA SER A 23 84.604 6.603 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 23 83.693 8.681 -3.279 1.00 0.00 H new ATOM 0 HB3 SER A 23 82.968 8.432 -4.855 1.00 0.00 H new ATOM 0 HG SER A 23 81.256 8.902 -3.517 1.00 0.00 H new ATOM 369 N THR A 24 83.144 6.237 -1.477 1.00 0.00 N ATOM 370 CA THR A 24 82.553 5.520 -0.312 1.00 0.00 C ATOM 371 C THR A 24 81.109 5.979 -0.106 1.00 0.00 C ATOM 372 O THR A 24 80.328 5.323 0.553 1.00 0.00 O ATOM 373 CB THR A 24 83.365 5.825 0.947 1.00 0.00 C ATOM 374 OG1 THR A 24 84.630 5.185 0.861 1.00 0.00 O ATOM 375 CG2 THR A 24 82.610 5.309 2.173 1.00 0.00 C ATOM 0 H THR A 24 83.736 7.034 -1.243 1.00 0.00 H new ATOM 0 HA THR A 24 82.571 4.447 -0.505 1.00 0.00 H new ATOM 0 HB THR A 24 83.511 6.901 1.037 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.341 5.859 0.899 1.00 0.00 H new ATOM 0 HG21 THR A 24 83.186 5.525 3.073 1.00 0.00 H new ATOM 0 HG22 THR A 24 81.640 5.802 2.237 1.00 0.00 H new ATOM 0 HG23 THR A 24 82.465 4.232 2.085 1.00 0.00 H new ATOM 383 N GLU A 25 80.747 7.100 -0.664 1.00 0.00 N ATOM 384 CA GLU A 25 79.353 7.597 -0.500 1.00 0.00 C ATOM 385 C GLU A 25 78.414 6.746 -1.353 1.00 0.00 C ATOM 386 O GLU A 25 77.510 6.106 -0.853 1.00 0.00 O ATOM 387 CB GLU A 25 79.279 9.051 -0.963 1.00 0.00 C ATOM 388 CG GLU A 25 79.678 9.973 0.190 1.00 0.00 C ATOM 389 CD GLU A 25 79.256 11.407 -0.131 1.00 0.00 C ATOM 390 OE1 GLU A 25 78.087 11.713 0.041 1.00 0.00 O ATOM 391 OE2 GLU A 25 80.107 12.177 -0.546 1.00 0.00 O ATOM 0 H GLU A 25 81.356 7.694 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 25 79.059 7.531 0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 25 79.942 9.207 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.269 9.286 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.204 9.642 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 25 80.755 9.927 0.350 1.00 0.00 H new ATOM 398 N VAL A 26 78.621 6.740 -2.638 1.00 0.00 N ATOM 399 CA VAL A 26 77.746 5.936 -3.534 1.00 0.00 C ATOM 400 C VAL A 26 77.792 4.464 -3.115 1.00 0.00 C ATOM 401 O VAL A 26 76.843 3.729 -3.304 1.00 0.00 O ATOM 402 CB VAL A 26 78.229 6.080 -4.981 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.604 4.985 -5.849 1.00 0.00 C ATOM 404 CG2 VAL A 26 77.811 7.450 -5.522 1.00 0.00 C ATOM 0 H VAL A 26 79.362 7.259 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 26 76.720 6.296 -3.459 1.00 0.00 H new ATOM 0 HB VAL A 26 79.315 5.987 -5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.951 5.093 -6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.897 4.007 -5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.518 5.075 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.154 7.555 -6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 26 76.725 7.538 -5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 26 78.256 8.234 -4.910 1.00 0.00 H new ATOM 414 N GLN A 27 78.884 4.022 -2.553 1.00 0.00 N ATOM 415 CA GLN A 27 78.969 2.597 -2.134 1.00 0.00 C ATOM 416 C GLN A 27 78.072 2.375 -0.922 1.00 0.00 C ATOM 417 O GLN A 27 77.244 1.490 -0.910 1.00 0.00 O ATOM 418 CB GLN A 27 80.415 2.244 -1.784 1.00 0.00 C ATOM 419 CG GLN A 27 81.198 1.969 -3.069 1.00 0.00 C ATOM 420 CD GLN A 27 81.878 0.602 -2.971 1.00 0.00 C ATOM 421 OE1 GLN A 27 81.618 -0.155 -2.057 1.00 0.00 O ATOM 422 NE2 GLN A 27 82.743 0.251 -3.883 1.00 0.00 N ATOM 0 H GLN A 27 79.715 4.583 -2.367 1.00 0.00 H new ATOM 0 HA GLN A 27 78.639 1.957 -2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 27 80.877 3.063 -1.232 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.440 1.368 -1.136 1.00 0.00 H new ATOM 0 HG2 GLN A 27 80.527 1.992 -3.928 1.00 0.00 H new ATOM 0 HG3 GLN A 27 81.944 2.748 -3.226 1.00 0.00 H new ATOM 0 HE21 GLN A 27 82.961 0.887 -4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 27 83.201 -0.659 -3.828 1.00 0.00 H new ATOM 431 N VAL A 28 78.213 3.179 0.093 1.00 0.00 N ATOM 432 CA VAL A 28 77.343 3.010 1.284 1.00 0.00 C ATOM 433 C VAL A 28 75.904 2.871 0.795 1.00 0.00 C ATOM 434 O VAL A 28 75.103 2.169 1.374 1.00 0.00 O ATOM 435 CB VAL A 28 77.473 4.240 2.186 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.365 4.236 3.241 1.00 0.00 C ATOM 437 CG2 VAL A 28 78.837 4.219 2.881 1.00 0.00 C ATOM 0 H VAL A 28 78.889 3.941 0.148 1.00 0.00 H new ATOM 0 HA VAL A 28 77.633 2.127 1.854 1.00 0.00 H new ATOM 0 HB VAL A 28 77.383 5.140 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 28 76.466 5.115 3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.393 4.255 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 28 76.446 3.336 3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 28 78.931 5.094 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 28 78.924 3.315 3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 28 79.628 4.233 2.131 1.00 0.00 H new ATOM 447 N ALA A 29 75.574 3.518 -0.289 1.00 0.00 N ATOM 448 CA ALA A 29 74.196 3.395 -0.824 1.00 0.00 C ATOM 449 C ALA A 29 74.019 1.984 -1.370 1.00 0.00 C ATOM 450 O ALA A 29 73.028 1.328 -1.114 1.00 0.00 O ATOM 451 CB ALA A 29 73.977 4.414 -1.944 1.00 0.00 C ATOM 0 H ALA A 29 76.198 4.123 -0.823 1.00 0.00 H new ATOM 0 HA ALA A 29 73.471 3.587 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 29 72.963 4.317 -2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.121 5.421 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.691 4.231 -2.747 1.00 0.00 H new ATOM 457 N LEU A 30 74.981 1.497 -2.106 1.00 0.00 N ATOM 458 CA LEU A 30 74.866 0.121 -2.641 1.00 0.00 C ATOM 459 C LEU A 30 74.916 -0.861 -1.465 1.00 0.00 C ATOM 460 O LEU A 30 74.623 -2.032 -1.605 1.00 0.00 O ATOM 461 CB LEU A 30 76.016 -0.144 -3.629 1.00 0.00 C ATOM 462 CG LEU A 30 77.239 -0.718 -2.903 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.172 -2.246 -2.923 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.514 -0.258 -3.611 1.00 0.00 C ATOM 0 H LEU A 30 75.836 1.994 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 30 73.925 -0.007 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.686 -0.840 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.289 0.783 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 30 77.247 -0.366 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 30 78.041 -2.655 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.263 -2.577 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.165 -2.596 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.384 -0.666 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.505 -0.611 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.563 0.831 -3.601 1.00 0.00 H new ATOM 476 N LEU A 31 75.287 -0.385 -0.304 1.00 0.00 N ATOM 477 CA LEU A 31 75.356 -1.275 0.880 1.00 0.00 C ATOM 478 C LEU A 31 73.921 -1.613 1.298 1.00 0.00 C ATOM 479 O LEU A 31 73.638 -2.676 1.812 1.00 0.00 O ATOM 480 CB LEU A 31 76.102 -0.549 2.021 1.00 0.00 C ATOM 481 CG LEU A 31 75.107 0.151 2.946 1.00 0.00 C ATOM 482 CD1 LEU A 31 74.569 -0.854 3.966 1.00 0.00 C ATOM 483 CD2 LEU A 31 75.797 1.298 3.684 1.00 0.00 C ATOM 0 H LEU A 31 75.545 0.586 -0.131 1.00 0.00 H new ATOM 0 HA LEU A 31 75.896 -2.193 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 31 76.695 -1.265 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 31 76.796 0.181 1.604 1.00 0.00 H new ATOM 0 HG LEU A 31 74.286 0.550 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 31 73.859 -0.357 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 31 74.069 -1.670 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 31 75.395 -1.252 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 31 75.081 1.791 4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 31 76.622 0.905 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.181 2.017 2.961 1.00 0.00 H new ATOM 495 N THR A 32 73.022 -0.692 1.076 1.00 0.00 N ATOM 496 CA THR A 32 71.600 -0.912 1.450 1.00 0.00 C ATOM 497 C THR A 32 70.969 -1.923 0.488 1.00 0.00 C ATOM 498 O THR A 32 70.235 -2.802 0.887 1.00 0.00 O ATOM 499 CB THR A 32 70.859 0.437 1.382 1.00 0.00 C ATOM 500 OG1 THR A 32 69.816 0.451 2.346 1.00 0.00 O ATOM 501 CG2 THR A 32 70.266 0.661 -0.012 1.00 0.00 C ATOM 0 H THR A 32 73.217 0.212 0.647 1.00 0.00 H new ATOM 0 HA THR A 32 71.530 -1.310 2.462 1.00 0.00 H new ATOM 0 HB THR A 32 71.570 1.236 1.590 1.00 0.00 H new ATOM 0 HG1 THR A 32 69.345 1.309 2.305 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.747 1.619 -0.037 1.00 0.00 H new ATOM 0 HG22 THR A 32 71.066 0.662 -0.752 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.562 -0.139 -0.241 1.00 0.00 H new ATOM 509 N LEU A 33 71.249 -1.795 -0.777 1.00 0.00 N ATOM 510 CA LEU A 33 70.666 -2.742 -1.770 1.00 0.00 C ATOM 511 C LEU A 33 70.949 -4.184 -1.339 1.00 0.00 C ATOM 512 O LEU A 33 70.046 -4.944 -1.052 1.00 0.00 O ATOM 513 CB LEU A 33 71.292 -2.489 -3.143 1.00 0.00 C ATOM 514 CG LEU A 33 70.634 -3.401 -4.178 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.288 -2.589 -5.428 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.602 -4.525 -4.556 1.00 0.00 C ATOM 0 H LEU A 33 71.857 -1.075 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 33 69.588 -2.588 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.162 -1.445 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 33 72.365 -2.678 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 33 69.724 -3.829 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.819 -3.239 -6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 33 69.600 -1.787 -5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 33 71.199 -2.162 -5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 33 71.133 -5.176 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 33 72.512 -4.096 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.851 -5.105 -3.667 1.00 0.00 H new ATOM 528 N ARG A 34 72.196 -4.568 -1.298 1.00 0.00 N ATOM 529 CA ARG A 34 72.538 -5.962 -0.893 1.00 0.00 C ATOM 530 C ARG A 34 71.856 -6.300 0.436 1.00 0.00 C ATOM 531 O ARG A 34 71.683 -7.453 0.778 1.00 0.00 O ATOM 532 CB ARG A 34 74.054 -6.088 -0.730 1.00 0.00 C ATOM 533 CG ARG A 34 74.741 -5.800 -2.066 1.00 0.00 C ATOM 534 CD ARG A 34 76.111 -5.171 -1.809 1.00 0.00 C ATOM 535 NE ARG A 34 77.137 -5.850 -2.648 1.00 0.00 N ATOM 536 CZ ARG A 34 78.385 -5.871 -2.266 1.00 0.00 C ATOM 537 NH1 ARG A 34 78.810 -6.816 -1.471 1.00 0.00 N ATOM 538 NH2 ARG A 34 79.209 -4.946 -2.678 1.00 0.00 N ATOM 0 H ARG A 34 72.994 -3.976 -1.528 1.00 0.00 H new ATOM 0 HA ARG A 34 72.192 -6.653 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 34 74.407 -5.390 0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 34 74.311 -7.090 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 34 74.853 -6.722 -2.636 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.127 -5.128 -2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 34 76.083 -4.106 -2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.372 -5.260 -0.754 1.00 0.00 H new ATOM 0 HE ARG A 34 76.864 -6.299 -3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 34 78.167 -7.539 -1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 34 79.785 -6.832 -1.173 1.00 0.00 H new ATOM 0 HH21 ARG A 34 78.878 -4.207 -3.298 1.00 0.00 H new ATOM 0 HH22 ARG A 34 80.184 -4.962 -2.380 1.00 0.00 H new ATOM 552 N ILE A 35 71.473 -5.307 1.190 1.00 0.00 N ATOM 553 CA ILE A 35 70.812 -5.564 2.488 1.00 0.00 C ATOM 554 C ILE A 35 69.381 -6.046 2.232 1.00 0.00 C ATOM 555 O ILE A 35 68.946 -7.054 2.751 1.00 0.00 O ATOM 556 CB ILE A 35 70.825 -4.250 3.289 1.00 0.00 C ATOM 557 CG1 ILE A 35 71.790 -4.386 4.464 1.00 0.00 C ATOM 558 CG2 ILE A 35 69.431 -3.902 3.813 1.00 0.00 C ATOM 559 CD1 ILE A 35 73.150 -3.814 4.062 1.00 0.00 C ATOM 0 H ILE A 35 71.593 -4.322 0.955 1.00 0.00 H new ATOM 0 HA ILE A 35 71.331 -6.336 3.056 1.00 0.00 H new ATOM 0 HB ILE A 35 71.148 -3.448 2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 35 71.401 -3.856 5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 35 71.891 -5.433 4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 35 69.476 -2.969 4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 35 68.745 -3.788 2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 35 69.078 -4.701 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 35 73.845 -3.908 4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 35 73.537 -4.364 3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.039 -2.762 3.799 1.00 0.00 H new ATOM 571 N ASN A 36 68.650 -5.315 1.442 1.00 0.00 N ATOM 572 CA ASN A 36 67.242 -5.700 1.146 1.00 0.00 C ATOM 573 C ASN A 36 67.201 -7.077 0.478 1.00 0.00 C ATOM 574 O ASN A 36 66.359 -7.897 0.788 1.00 0.00 O ATOM 575 CB ASN A 36 66.618 -4.663 0.209 1.00 0.00 C ATOM 576 CG ASN A 36 66.717 -3.274 0.844 1.00 0.00 C ATOM 577 OD1 ASN A 36 66.689 -3.144 2.052 1.00 0.00 O ATOM 578 ND2 ASN A 36 66.832 -2.225 0.077 1.00 0.00 N ATOM 0 H ASN A 36 68.968 -4.461 0.985 1.00 0.00 H new ATOM 0 HA ASN A 36 66.681 -5.740 2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 36 67.131 -4.672 -0.753 1.00 0.00 H new ATOM 0 HB3 ASN A 36 65.575 -4.913 0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 36 66.898 -1.295 0.491 1.00 0.00 H new ATOM 0 HD22 ASN A 36 66.855 -2.335 -0.937 1.00 0.00 H new ATOM 585 N ARG A 37 68.093 -7.343 -0.440 1.00 0.00 N ATOM 586 CA ARG A 37 68.080 -8.668 -1.118 1.00 0.00 C ATOM 587 C ARG A 37 68.838 -9.695 -0.284 1.00 0.00 C ATOM 588 O ARG A 37 69.108 -10.797 -0.717 1.00 0.00 O ATOM 589 CB ARG A 37 68.722 -8.549 -2.499 1.00 0.00 C ATOM 590 CG ARG A 37 67.704 -8.938 -3.573 1.00 0.00 C ATOM 591 CD ARG A 37 66.990 -7.683 -4.079 1.00 0.00 C ATOM 592 NE ARG A 37 66.338 -6.988 -2.934 1.00 0.00 N ATOM 593 CZ ARG A 37 65.842 -5.791 -3.093 1.00 0.00 C ATOM 594 NH1 ARG A 37 66.637 -4.781 -3.321 1.00 0.00 N ATOM 595 NH2 ARG A 37 64.553 -5.604 -3.025 1.00 0.00 N ATOM 0 H ARG A 37 68.825 -6.703 -0.747 1.00 0.00 H new ATOM 0 HA ARG A 37 67.047 -8.997 -1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 37 69.068 -7.529 -2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 37 69.597 -9.196 -2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 37 68.206 -9.442 -4.399 1.00 0.00 H new ATOM 0 HG3 ARG A 37 66.979 -9.642 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 37 67.703 -7.017 -4.565 1.00 0.00 H new ATOM 0 HD3 ARG A 37 66.245 -7.952 -4.827 1.00 0.00 H new ATOM 0 HE ARG A 37 66.279 -7.448 -2.025 1.00 0.00 H new ATOM 0 HH11 ARG A 37 67.645 -4.927 -3.375 1.00 0.00 H new ATOM 0 HH12 ARG A 37 66.250 -3.845 -3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 37 63.932 -6.393 -2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 37 64.166 -4.668 -3.149 1.00 0.00 H new ATOM 609 N LEU A 38 69.164 -9.335 0.911 1.00 0.00 N ATOM 610 CA LEU A 38 69.890 -10.263 1.813 1.00 0.00 C ATOM 611 C LEU A 38 68.873 -11.051 2.640 1.00 0.00 C ATOM 612 O LEU A 38 69.097 -12.190 3.002 1.00 0.00 O ATOM 613 CB LEU A 38 70.802 -9.462 2.746 1.00 0.00 C ATOM 614 CG LEU A 38 71.373 -10.385 3.822 1.00 0.00 C ATOM 615 CD1 LEU A 38 72.421 -11.310 3.199 1.00 0.00 C ATOM 616 CD2 LEU A 38 72.028 -9.542 4.920 1.00 0.00 C ATOM 0 H LEU A 38 68.957 -8.421 1.314 1.00 0.00 H new ATOM 0 HA LEU A 38 70.497 -10.951 1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.612 -9.006 2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 38 70.242 -8.650 3.209 1.00 0.00 H new ATOM 0 HG LEU A 38 70.569 -10.983 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 38 72.828 -11.968 3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 38 71.957 -11.910 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 38 73.225 -10.712 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 38 72.436 -10.199 5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 38 72.832 -8.945 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 38 71.283 -8.882 5.365 1.00 0.00 H new ATOM 628 N SER A 39 67.756 -10.447 2.941 1.00 0.00 N ATOM 629 CA SER A 39 66.716 -11.146 3.745 1.00 0.00 C ATOM 630 C SER A 39 65.969 -12.145 2.859 1.00 0.00 C ATOM 631 O SER A 39 65.303 -13.039 3.341 1.00 0.00 O ATOM 632 CB SER A 39 65.729 -10.116 4.295 1.00 0.00 C ATOM 633 OG SER A 39 64.789 -10.769 5.138 1.00 0.00 O ATOM 0 H SER A 39 67.519 -9.495 2.663 1.00 0.00 H new ATOM 0 HA SER A 39 67.189 -11.679 4.570 1.00 0.00 H new ATOM 0 HB2 SER A 39 66.262 -9.346 4.853 1.00 0.00 H new ATOM 0 HB3 SER A 39 65.213 -9.616 3.475 1.00 0.00 H new ATOM 0 HG SER A 39 64.156 -10.111 5.493 1.00 0.00 H new ATOM 639 N GLU A 40 66.072 -12.000 1.565 1.00 0.00 N ATOM 640 CA GLU A 40 65.368 -12.937 0.655 1.00 0.00 C ATOM 641 C GLU A 40 66.285 -14.102 0.308 1.00 0.00 C ATOM 642 O GLU A 40 66.101 -14.794 -0.673 1.00 0.00 O ATOM 643 CB GLU A 40 64.976 -12.207 -0.623 1.00 0.00 C ATOM 644 CG GLU A 40 63.462 -11.987 -0.648 1.00 0.00 C ATOM 645 CD GLU A 40 62.819 -12.964 -1.635 1.00 0.00 C ATOM 646 OE1 GLU A 40 63.475 -13.316 -2.601 1.00 0.00 O ATOM 647 OE2 GLU A 40 61.682 -13.342 -1.406 1.00 0.00 O ATOM 0 H GLU A 40 66.615 -11.271 1.102 1.00 0.00 H new ATOM 0 HA GLU A 40 64.473 -13.314 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 40 65.493 -11.249 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 40 65.283 -12.787 -1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 40 63.046 -12.134 0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 40 63.238 -10.961 -0.938 1.00 0.00 H new ATOM 654 N HIS A 41 67.268 -14.311 1.116 1.00 0.00 N ATOM 655 CA HIS A 41 68.224 -15.420 0.872 1.00 0.00 C ATOM 656 C HIS A 41 67.633 -16.729 1.401 1.00 0.00 C ATOM 657 O HIS A 41 67.003 -17.474 0.677 1.00 0.00 O ATOM 658 CB HIS A 41 69.542 -15.123 1.589 1.00 0.00 C ATOM 659 CG HIS A 41 70.577 -14.700 0.582 1.00 0.00 C ATOM 660 ND1 HIS A 41 71.570 -13.753 0.629 1.00 0.00 N flip ATOM 661 CD2 HIS A 41 70.670 -15.283 -0.672 1.00 0.00 C flip ATOM 662 CE1 HIS A 41 72.268 -13.746 -0.574 1.00 0.00 C flip ATOM 663 NE2 HIS A 41 71.686 -14.687 -1.322 1.00 0.00 N flip ATOM 0 H HIS A 41 67.458 -13.755 1.950 1.00 0.00 H new ATOM 0 HA HIS A 41 68.408 -15.514 -0.198 1.00 0.00 H new ATOM 0 HB2 HIS A 41 69.396 -14.336 2.329 1.00 0.00 H new ATOM 0 HB3 HIS A 41 69.883 -16.008 2.127 1.00 0.00 H new ATOM 0 HD2 HIS A 41 70.041 -16.072 -1.057 1.00 0.00 H new ATOM 0 HE1 HIS A 41 73.102 -13.115 -0.845 1.00 0.00 H new ATOM 0 HE2 HIS A 41 71.976 -14.925 -2.270 1.00 0.00 H new ATOM 671 N LEU A 42 67.833 -17.015 2.658 1.00 0.00 N ATOM 672 CA LEU A 42 67.290 -18.269 3.240 1.00 0.00 C ATOM 673 C LEU A 42 65.761 -18.191 3.306 1.00 0.00 C ATOM 674 O LEU A 42 65.099 -19.146 3.661 1.00 0.00 O ATOM 675 CB LEU A 42 67.848 -18.446 4.651 1.00 0.00 C ATOM 676 CG LEU A 42 69.327 -18.054 4.671 1.00 0.00 C ATOM 677 CD1 LEU A 42 69.532 -16.896 5.650 1.00 0.00 C ATOM 678 CD2 LEU A 42 70.165 -19.253 5.120 1.00 0.00 C ATOM 0 H LEU A 42 68.354 -16.428 3.310 1.00 0.00 H new ATOM 0 HA LEU A 42 67.580 -19.115 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 42 67.288 -17.829 5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.731 -19.481 4.972 1.00 0.00 H new ATOM 0 HG LEU A 42 69.636 -17.747 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.585 -16.615 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 42 68.933 -16.042 5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 42 69.224 -17.205 6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.219 -18.975 5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 42 69.856 -19.559 6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 42 70.018 -20.080 4.426 1.00 0.00 H new ATOM 690 N LYS A 43 65.191 -17.063 2.965 1.00 0.00 N ATOM 691 CA LYS A 43 63.707 -16.932 3.008 1.00 0.00 C ATOM 692 C LYS A 43 63.102 -17.439 1.701 1.00 0.00 C ATOM 693 O LYS A 43 61.972 -17.153 1.361 1.00 0.00 O ATOM 694 CB LYS A 43 63.330 -15.469 3.208 1.00 0.00 C ATOM 695 CG LYS A 43 62.927 -15.236 4.665 1.00 0.00 C ATOM 696 CD LYS A 43 61.610 -14.459 4.713 1.00 0.00 C ATOM 697 CE LYS A 43 61.726 -13.320 5.727 1.00 0.00 C ATOM 698 NZ LYS A 43 61.380 -13.827 7.086 1.00 0.00 N ATOM 0 H LYS A 43 65.691 -16.228 2.659 1.00 0.00 H new ATOM 0 HA LYS A 43 63.320 -17.526 3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 43 64.171 -14.827 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 43 62.507 -15.202 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 43 62.817 -16.190 5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 43 63.708 -14.681 5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 43 61.375 -14.059 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 43 60.793 -15.125 4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 43 62.739 -12.918 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 43 61.059 -12.504 5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 61.459 -13.053 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 60.406 -14.190 7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 62.034 -14.592 7.348 1.00 0.00 H new ATOM 712 N VAL A 44 63.860 -18.197 0.984 1.00 0.00 N ATOM 713 CA VAL A 44 63.394 -18.765 -0.304 1.00 0.00 C ATOM 714 C VAL A 44 64.224 -20.017 -0.596 1.00 0.00 C ATOM 715 O VAL A 44 63.721 -21.022 -1.057 1.00 0.00 O ATOM 716 CB VAL A 44 63.592 -17.734 -1.417 1.00 0.00 C ATOM 717 CG1 VAL A 44 63.516 -18.423 -2.783 1.00 0.00 C ATOM 718 CG2 VAL A 44 62.496 -16.670 -1.324 1.00 0.00 C ATOM 0 H VAL A 44 64.812 -18.457 1.240 1.00 0.00 H new ATOM 0 HA VAL A 44 62.336 -19.021 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 44 64.570 -17.266 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 44 63.658 -17.684 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 44 64.296 -19.181 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 44 62.540 -18.895 -2.899 1.00 0.00 H new ATOM 0 HG21 VAL A 44 62.635 -15.934 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 44 61.520 -17.142 -1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 44 62.551 -16.174 -0.355 1.00 0.00 H new ATOM 728 N HIS A 45 65.496 -19.957 -0.309 1.00 0.00 N ATOM 729 CA HIS A 45 66.381 -21.128 -0.540 1.00 0.00 C ATOM 730 C HIS A 45 65.719 -22.390 0.019 1.00 0.00 C ATOM 731 O HIS A 45 65.872 -22.723 1.178 1.00 0.00 O ATOM 732 CB HIS A 45 67.711 -20.882 0.178 1.00 0.00 C ATOM 733 CG HIS A 45 68.669 -20.202 -0.759 1.00 0.00 C ATOM 734 ND1 HIS A 45 69.984 -19.937 -0.407 1.00 0.00 N ATOM 735 CD2 HIS A 45 68.520 -19.726 -2.038 1.00 0.00 C ATOM 736 CE1 HIS A 45 70.568 -19.326 -1.455 1.00 0.00 C ATOM 737 NE2 HIS A 45 69.720 -19.173 -2.476 1.00 0.00 N ATOM 0 H HIS A 45 65.962 -19.137 0.080 1.00 0.00 H new ATOM 0 HA HIS A 45 66.553 -21.262 -1.608 1.00 0.00 H new ATOM 0 HB2 HIS A 45 67.550 -20.265 1.062 1.00 0.00 H new ATOM 0 HB3 HIS A 45 68.131 -21.827 0.522 1.00 0.00 H new ATOM 0 HD2 HIS A 45 67.609 -19.773 -2.617 1.00 0.00 H new ATOM 0 HE1 HIS A 45 71.597 -18.999 -1.469 1.00 0.00 H new ATOM 0 HE2 HIS A 45 69.911 -18.744 -3.381 1.00 0.00 H new ATOM 745 N LYS A 46 64.978 -23.093 -0.795 1.00 0.00 N ATOM 746 CA LYS A 46 64.303 -24.327 -0.313 1.00 0.00 C ATOM 747 C LYS A 46 65.348 -25.394 0.022 1.00 0.00 C ATOM 748 O LYS A 46 65.035 -26.432 0.568 1.00 0.00 O ATOM 749 CB LYS A 46 63.370 -24.857 -1.404 1.00 0.00 C ATOM 750 CG LYS A 46 62.098 -24.006 -1.448 1.00 0.00 C ATOM 751 CD LYS A 46 61.204 -24.362 -0.259 1.00 0.00 C ATOM 752 CE LYS A 46 60.265 -23.193 0.042 1.00 0.00 C ATOM 753 NZ LYS A 46 60.856 -22.344 1.116 1.00 0.00 N ATOM 0 H LYS A 46 64.812 -22.863 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 46 63.726 -24.093 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 46 63.872 -24.830 -2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 46 63.117 -25.898 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 46 62.355 -22.947 -1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 46 61.564 -24.179 -2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 46 60.626 -25.259 -0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 46 61.815 -24.585 0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 46 60.105 -22.600 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 46 59.290 -23.567 0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 60.218 -21.549 1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 60.987 -22.914 1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 61.776 -21.976 0.801 1.00 0.00 H new ATOM 767 N LYS A 47 66.590 -25.147 -0.297 1.00 0.00 N ATOM 768 CA LYS A 47 67.648 -26.150 0.006 1.00 0.00 C ATOM 769 C LYS A 47 68.982 -25.675 -0.574 1.00 0.00 C ATOM 770 O LYS A 47 69.467 -26.203 -1.554 1.00 0.00 O ATOM 771 CB LYS A 47 67.270 -27.495 -0.618 1.00 0.00 C ATOM 772 CG LYS A 47 66.851 -27.284 -2.075 1.00 0.00 C ATOM 773 CD LYS A 47 67.696 -28.179 -2.983 1.00 0.00 C ATOM 774 CE LYS A 47 67.594 -29.630 -2.511 1.00 0.00 C ATOM 775 NZ LYS A 47 68.921 -30.082 -2.005 1.00 0.00 N ATOM 0 H LYS A 47 66.916 -24.295 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 47 67.742 -26.264 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 47 68.115 -28.181 -0.568 1.00 0.00 H new ATOM 0 HB3 LYS A 47 66.455 -27.952 -0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 47 65.794 -27.518 -2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 47 66.981 -26.238 -2.354 1.00 0.00 H new ATOM 0 HD2 LYS A 47 67.352 -28.096 -4.014 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.736 -27.853 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 47 66.844 -29.716 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 47 67.269 -30.269 -3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 68.785 -30.705 -1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 69.420 -30.602 -2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 69.485 -29.255 -1.723 1.00 0.00 H new ATOM 789 N ASP A 48 69.579 -24.684 0.028 1.00 0.00 N ATOM 790 CA ASP A 48 70.880 -24.176 -0.482 1.00 0.00 C ATOM 791 C ASP A 48 71.409 -23.094 0.464 1.00 0.00 C ATOM 792 O ASP A 48 72.078 -22.168 0.051 1.00 0.00 O ATOM 793 CB ASP A 48 70.686 -23.585 -1.879 1.00 0.00 C ATOM 794 CG ASP A 48 71.986 -23.717 -2.675 1.00 0.00 C ATOM 795 OD1 ASP A 48 72.625 -24.749 -2.561 1.00 0.00 O ATOM 796 OD2 ASP A 48 72.320 -22.783 -3.386 1.00 0.00 O ATOM 0 H ASP A 48 69.220 -24.204 0.853 1.00 0.00 H new ATOM 0 HA ASP A 48 71.596 -24.996 -0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.877 -24.102 -2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 48 70.398 -22.536 -1.805 1.00 0.00 H new ATOM 801 N HIS A 49 71.111 -23.206 1.728 1.00 0.00 N ATOM 802 CA HIS A 49 71.595 -22.186 2.702 1.00 0.00 C ATOM 803 C HIS A 49 73.120 -22.089 2.626 1.00 0.00 C ATOM 804 O HIS A 49 73.830 -22.785 3.323 1.00 0.00 O ATOM 805 CB HIS A 49 71.179 -22.597 4.116 1.00 0.00 C ATOM 806 CG HIS A 49 71.837 -21.687 5.118 1.00 0.00 C ATOM 807 ND1 HIS A 49 72.661 -20.600 4.966 1.00 0.00 N flip ATOM 808 CD2 HIS A 49 71.676 -21.855 6.484 1.00 0.00 C flip ATOM 809 CE1 HIS A 49 73.007 -20.097 6.218 1.00 0.00 C flip ATOM 810 NE2 HIS A 49 72.386 -20.889 7.096 1.00 0.00 N flip ATOM 0 H HIS A 49 70.553 -23.960 2.130 1.00 0.00 H new ATOM 0 HA HIS A 49 71.159 -21.217 2.461 1.00 0.00 H new ATOM 0 HB2 HIS A 49 70.095 -22.544 4.217 1.00 0.00 H new ATOM 0 HB3 HIS A 49 71.466 -23.631 4.305 1.00 0.00 H new ATOM 0 HD2 HIS A 49 71.089 -22.621 6.969 1.00 0.00 H new ATOM 0 HE1 HIS A 49 73.641 -19.249 6.433 1.00 0.00 H new ATOM 0 HE2 HIS A 49 72.443 -20.776 8.108 1.00 0.00 H new ATOM 818 N HIS A 50 73.629 -21.229 1.786 1.00 0.00 N ATOM 819 CA HIS A 50 75.108 -21.088 1.669 1.00 0.00 C ATOM 820 C HIS A 50 75.468 -19.614 1.571 1.00 0.00 C ATOM 821 O HIS A 50 76.521 -19.240 1.093 1.00 0.00 O ATOM 822 CB HIS A 50 75.589 -21.808 0.416 1.00 0.00 C ATOM 823 CG HIS A 50 76.325 -23.061 0.803 1.00 0.00 C ATOM 824 ND1 HIS A 50 77.661 -23.260 0.488 1.00 0.00 N ATOM 825 CD2 HIS A 50 75.927 -24.189 1.476 1.00 0.00 C ATOM 826 CE1 HIS A 50 78.014 -24.466 0.969 1.00 0.00 C ATOM 827 NE2 HIS A 50 76.995 -25.074 1.580 1.00 0.00 N ATOM 0 H HIS A 50 73.085 -20.619 1.176 1.00 0.00 H new ATOM 0 HA HIS A 50 75.585 -21.524 2.546 1.00 0.00 H new ATOM 0 HB2 HIS A 50 74.740 -22.055 -0.221 1.00 0.00 H new ATOM 0 HB3 HIS A 50 76.242 -21.155 -0.162 1.00 0.00 H new ATOM 0 HD2 HIS A 50 74.935 -24.363 1.866 1.00 0.00 H new ATOM 0 HE1 HIS A 50 79.002 -24.891 0.872 1.00 0.00 H new ATOM 0 HE2 HIS A 50 76.999 -25.991 2.027 1.00 0.00 H new ATOM 835 N SER A 51 74.592 -18.784 2.023 1.00 0.00 N ATOM 836 CA SER A 51 74.839 -17.319 1.976 1.00 0.00 C ATOM 837 C SER A 51 75.831 -16.930 3.074 1.00 0.00 C ATOM 838 O SER A 51 76.600 -17.743 3.546 1.00 0.00 O ATOM 839 CB SER A 51 73.522 -16.572 2.189 1.00 0.00 C ATOM 840 OG SER A 51 73.150 -16.658 3.558 1.00 0.00 O ATOM 0 H SER A 51 73.698 -19.055 2.432 1.00 0.00 H new ATOM 0 HA SER A 51 75.254 -17.053 1.004 1.00 0.00 H new ATOM 0 HB2 SER A 51 73.631 -15.528 1.895 1.00 0.00 H new ATOM 0 HB3 SER A 51 72.742 -17.001 1.560 1.00 0.00 H new ATOM 0 HG SER A 51 72.307 -16.179 3.699 1.00 0.00 H new ATOM 846 N HIS A 52 75.817 -15.691 3.484 1.00 0.00 N ATOM 847 CA HIS A 52 76.758 -15.246 4.551 1.00 0.00 C ATOM 848 C HIS A 52 78.199 -15.369 4.051 1.00 0.00 C ATOM 849 O HIS A 52 79.140 -15.246 4.809 1.00 0.00 O ATOM 850 CB HIS A 52 76.572 -16.121 5.793 1.00 0.00 C ATOM 851 CG HIS A 52 75.598 -15.461 6.731 1.00 0.00 C ATOM 852 ND1 HIS A 52 75.623 -14.099 6.984 1.00 0.00 N ATOM 853 CD2 HIS A 52 74.564 -15.963 7.482 1.00 0.00 C ATOM 854 CE1 HIS A 52 74.634 -13.830 7.856 1.00 0.00 C ATOM 855 NE2 HIS A 52 73.957 -14.931 8.191 1.00 0.00 N ATOM 0 H HIS A 52 75.194 -14.967 3.126 1.00 0.00 H new ATOM 0 HA HIS A 52 76.551 -14.206 4.804 1.00 0.00 H new ATOM 0 HB2 HIS A 52 76.205 -17.106 5.505 1.00 0.00 H new ATOM 0 HB3 HIS A 52 77.529 -16.271 6.292 1.00 0.00 H new ATOM 0 HD2 HIS A 52 74.267 -17.001 7.517 1.00 0.00 H new ATOM 0 HE1 HIS A 52 74.415 -12.844 8.238 1.00 0.00 H new ATOM 0 HE2 HIS A 52 73.165 -15.001 8.830 1.00 0.00 H new ATOM 863 N ARG A 53 78.380 -15.610 2.781 1.00 0.00 N ATOM 864 CA ARG A 53 79.759 -15.738 2.237 1.00 0.00 C ATOM 865 C ARG A 53 80.490 -14.403 2.383 1.00 0.00 C ATOM 866 O ARG A 53 81.533 -14.319 3.001 1.00 0.00 O ATOM 867 CB ARG A 53 79.689 -16.124 0.757 1.00 0.00 C ATOM 868 CG ARG A 53 80.957 -16.887 0.369 1.00 0.00 C ATOM 869 CD ARG A 53 82.033 -15.896 -0.080 1.00 0.00 C ATOM 870 NE ARG A 53 83.326 -16.236 0.575 1.00 0.00 N ATOM 871 CZ ARG A 53 84.071 -17.191 0.091 1.00 0.00 C ATOM 872 NH1 ARG A 53 83.542 -18.106 -0.676 1.00 0.00 N ATOM 873 NH2 ARG A 53 85.344 -17.233 0.372 1.00 0.00 N ATOM 0 H ARG A 53 77.631 -15.724 2.098 1.00 0.00 H new ATOM 0 HA ARG A 53 80.298 -16.509 2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 53 78.810 -16.741 0.572 1.00 0.00 H new ATOM 0 HB3 ARG A 53 79.587 -15.230 0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 53 81.316 -17.471 1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 53 80.739 -17.591 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 53 82.143 -15.928 -1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 53 81.738 -14.880 0.180 1.00 0.00 H new ATOM 0 HE ARG A 53 83.629 -15.722 1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 53 82.547 -18.074 -0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 53 84.124 -18.853 -1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 53 85.758 -16.519 0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 53 85.926 -17.980 -0.007 1.00 0.00 H new ATOM 887 N GLY A 54 79.951 -13.357 1.819 1.00 0.00 N ATOM 888 CA GLY A 54 80.615 -12.027 1.925 1.00 0.00 C ATOM 889 C GLY A 54 79.551 -10.930 1.990 1.00 0.00 C ATOM 890 O GLY A 54 79.811 -9.783 1.681 1.00 0.00 O ATOM 0 H GLY A 54 79.079 -13.366 1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 54 81.243 -11.992 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 54 81.268 -11.865 1.067 1.00 0.00 H new ATOM 894 N LEU A 55 78.356 -11.269 2.388 1.00 0.00 N ATOM 895 CA LEU A 55 77.283 -10.244 2.471 1.00 0.00 C ATOM 896 C LEU A 55 77.292 -9.607 3.858 1.00 0.00 C ATOM 897 O LEU A 55 76.274 -9.188 4.372 1.00 0.00 O ATOM 898 CB LEU A 55 75.924 -10.895 2.209 1.00 0.00 C ATOM 899 CG LEU A 55 75.746 -11.121 0.708 1.00 0.00 C ATOM 900 CD1 LEU A 55 74.903 -12.377 0.476 1.00 0.00 C ATOM 901 CD2 LEU A 55 75.040 -9.913 0.091 1.00 0.00 C ATOM 0 H LEU A 55 78.078 -12.212 2.659 1.00 0.00 H new ATOM 0 HA LEU A 55 77.460 -9.475 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 55 75.855 -11.844 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.125 -10.258 2.589 1.00 0.00 H new ATOM 0 HG LEU A 55 76.723 -11.249 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 55 74.776 -12.538 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 55 75.406 -13.239 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 55 73.926 -12.250 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 55 74.913 -10.074 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 55 74.063 -9.785 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 55 75.640 -9.018 0.255 1.00 0.00 H new ATOM 913 N LEU A 56 78.439 -9.531 4.464 1.00 0.00 N ATOM 914 CA LEU A 56 78.544 -8.928 5.808 1.00 0.00 C ATOM 915 C LEU A 56 79.156 -7.537 5.688 1.00 0.00 C ATOM 916 O LEU A 56 78.759 -6.604 6.358 1.00 0.00 O ATOM 917 CB LEU A 56 79.440 -9.808 6.674 1.00 0.00 C ATOM 918 CG LEU A 56 78.699 -11.096 7.029 1.00 0.00 C ATOM 919 CD1 LEU A 56 79.640 -12.037 7.784 1.00 0.00 C ATOM 920 CD2 LEU A 56 77.495 -10.763 7.912 1.00 0.00 C ATOM 0 H LEU A 56 79.320 -9.868 4.075 1.00 0.00 H new ATOM 0 HA LEU A 56 77.556 -8.850 6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 56 80.362 -10.041 6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 56 79.722 -9.276 7.583 1.00 0.00 H new ATOM 0 HG LEU A 56 78.358 -11.582 6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 56 79.110 -12.955 8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 56 80.498 -12.274 7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 56 79.983 -11.552 8.698 1.00 0.00 H new ATOM 0 HD21 LEU A 56 76.965 -11.681 8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 56 77.837 -10.277 8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 56 76.824 -10.094 7.374 1.00 0.00 H new ATOM 932 N MET A 57 80.122 -7.400 4.831 1.00 0.00 N ATOM 933 CA MET A 57 80.781 -6.077 4.642 1.00 0.00 C ATOM 934 C MET A 57 79.715 -5.002 4.418 1.00 0.00 C ATOM 935 O MET A 57 79.856 -3.876 4.852 1.00 0.00 O ATOM 936 CB MET A 57 81.705 -6.142 3.424 1.00 0.00 C ATOM 937 CG MET A 57 82.241 -4.744 3.115 1.00 0.00 C ATOM 938 SD MET A 57 81.137 -3.921 1.938 1.00 0.00 S ATOM 939 CE MET A 57 82.417 -3.074 0.980 1.00 0.00 C ATOM 0 H MET A 57 80.489 -8.152 4.247 1.00 0.00 H new ATOM 0 HA MET A 57 81.363 -5.829 5.529 1.00 0.00 H new ATOM 0 HB2 MET A 57 82.532 -6.825 3.618 1.00 0.00 H new ATOM 0 HB3 MET A 57 81.163 -6.534 2.563 1.00 0.00 H new ATOM 0 HG2 MET A 57 82.313 -4.160 4.032 1.00 0.00 H new ATOM 0 HG3 MET A 57 83.247 -4.812 2.700 1.00 0.00 H new ATOM 0 HE1 MET A 57 81.951 -2.494 0.183 1.00 0.00 H new ATOM 0 HE2 MET A 57 82.979 -2.407 1.634 1.00 0.00 H new ATOM 0 HE3 MET A 57 83.093 -3.810 0.545 1.00 0.00 H new ATOM 949 N MET A 58 78.650 -5.339 3.743 1.00 0.00 N ATOM 950 CA MET A 58 77.579 -4.335 3.495 1.00 0.00 C ATOM 951 C MET A 58 77.071 -3.796 4.832 1.00 0.00 C ATOM 952 O MET A 58 76.952 -2.602 5.027 1.00 0.00 O ATOM 953 CB MET A 58 76.424 -4.996 2.739 1.00 0.00 C ATOM 954 CG MET A 58 75.999 -6.272 3.467 1.00 0.00 C ATOM 955 SD MET A 58 75.444 -7.501 2.260 1.00 0.00 S ATOM 956 CE MET A 58 73.820 -7.820 2.991 1.00 0.00 C ATOM 0 H MET A 58 78.476 -6.265 3.353 1.00 0.00 H new ATOM 0 HA MET A 58 77.979 -3.515 2.899 1.00 0.00 H new ATOM 0 HB2 MET A 58 75.582 -4.308 2.668 1.00 0.00 H new ATOM 0 HB3 MET A 58 76.730 -5.231 1.720 1.00 0.00 H new ATOM 0 HG2 MET A 58 76.833 -6.667 4.047 1.00 0.00 H new ATOM 0 HG3 MET A 58 75.197 -6.051 4.172 1.00 0.00 H new ATOM 0 HE1 MET A 58 73.483 -8.817 2.708 1.00 0.00 H new ATOM 0 HE2 MET A 58 73.891 -7.756 4.077 1.00 0.00 H new ATOM 0 HE3 MET A 58 73.106 -7.079 2.630 1.00 0.00 H new ATOM 966 N VAL A 59 76.771 -4.667 5.756 1.00 0.00 N ATOM 967 CA VAL A 59 76.272 -4.206 7.080 1.00 0.00 C ATOM 968 C VAL A 59 77.355 -3.377 7.771 1.00 0.00 C ATOM 969 O VAL A 59 77.076 -2.565 8.630 1.00 0.00 O ATOM 970 CB VAL A 59 75.927 -5.419 7.946 1.00 0.00 C ATOM 971 CG1 VAL A 59 74.998 -4.989 9.082 1.00 0.00 C ATOM 972 CG2 VAL A 59 75.225 -6.475 7.087 1.00 0.00 C ATOM 0 H VAL A 59 76.850 -5.678 5.650 1.00 0.00 H new ATOM 0 HA VAL A 59 75.380 -3.595 6.940 1.00 0.00 H new ATOM 0 HB VAL A 59 76.842 -5.838 8.364 1.00 0.00 H new ATOM 0 HG11 VAL A 59 74.753 -5.854 9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 59 75.496 -4.237 9.694 1.00 0.00 H new ATOM 0 HG13 VAL A 59 74.083 -4.570 8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 59 74.979 -7.340 7.703 1.00 0.00 H new ATOM 0 HG22 VAL A 59 74.310 -6.055 6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 59 75.886 -6.783 6.277 1.00 0.00 H new ATOM 982 N GLY A 60 78.592 -3.574 7.401 1.00 0.00 N ATOM 983 CA GLY A 60 79.693 -2.796 8.035 1.00 0.00 C ATOM 984 C GLY A 60 79.965 -1.534 7.215 1.00 0.00 C ATOM 985 O GLY A 60 81.074 -1.287 6.784 1.00 0.00 O ATOM 0 H GLY A 60 78.887 -4.240 6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 60 79.421 -2.527 9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 60 80.595 -3.405 8.095 1.00 0.00 H new ATOM 989 N GLN A 61 78.959 -0.732 6.995 1.00 0.00 N ATOM 990 CA GLN A 61 79.157 0.512 6.205 1.00 0.00 C ATOM 991 C GLN A 61 78.019 1.483 6.489 1.00 0.00 C ATOM 992 O GLN A 61 77.695 2.341 5.693 1.00 0.00 O ATOM 993 CB GLN A 61 79.167 0.172 4.723 1.00 0.00 C ATOM 994 CG GLN A 61 80.598 0.245 4.187 1.00 0.00 C ATOM 995 CD GLN A 61 80.627 -0.249 2.739 1.00 0.00 C ATOM 996 OE1 GLN A 61 80.098 -1.300 2.433 1.00 0.00 O ATOM 997 NE2 GLN A 61 81.225 0.470 1.829 1.00 0.00 N ATOM 0 H GLN A 61 78.008 -0.887 7.330 1.00 0.00 H new ATOM 0 HA GLN A 61 80.106 0.971 6.484 1.00 0.00 H new ATOM 0 HB2 GLN A 61 78.760 -0.827 4.566 1.00 0.00 H new ATOM 0 HB3 GLN A 61 78.528 0.866 4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 61 80.966 1.270 4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 61 81.260 -0.363 4.803 1.00 0.00 H new ATOM 0 HE21 GLN A 61 81.669 1.352 2.086 1.00 0.00 H new ATOM 0 HE22 GLN A 61 81.249 0.150 0.861 1.00 0.00 H new ATOM 1006 N ARG A 62 77.420 1.342 7.622 1.00 0.00 N ATOM 1007 CA ARG A 62 76.292 2.242 7.999 1.00 0.00 C ATOM 1008 C ARG A 62 76.077 2.190 9.511 1.00 0.00 C ATOM 1009 O ARG A 62 75.755 3.181 10.138 1.00 0.00 O ATOM 1010 CB ARG A 62 75.015 1.790 7.286 1.00 0.00 C ATOM 1011 CG ARG A 62 74.344 2.994 6.625 1.00 0.00 C ATOM 1012 CD ARG A 62 73.104 2.532 5.855 1.00 0.00 C ATOM 1013 NE ARG A 62 72.428 1.440 6.611 1.00 0.00 N ATOM 1014 CZ ARG A 62 71.164 1.547 6.921 1.00 0.00 C ATOM 1015 NH1 ARG A 62 70.787 2.398 7.836 1.00 0.00 N ATOM 1016 NH2 ARG A 62 70.278 0.803 6.318 1.00 0.00 N ATOM 0 H ARG A 62 77.659 0.636 8.319 1.00 0.00 H new ATOM 0 HA ARG A 62 76.531 3.263 7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 62 75.253 1.036 6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 62 74.333 1.327 7.999 1.00 0.00 H new ATOM 0 HG2 ARG A 62 74.063 3.727 7.381 1.00 0.00 H new ATOM 0 HG3 ARG A 62 75.042 3.486 5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 62 72.419 3.368 5.712 1.00 0.00 H new ATOM 0 HD3 ARG A 62 73.389 2.180 4.863 1.00 0.00 H new ATOM 0 HE ARG A 62 72.952 0.609 6.886 1.00 0.00 H new ATOM 0 HH11 ARG A 62 71.480 2.979 8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 62 69.800 2.482 8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 62 70.572 0.137 5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 62 69.291 0.887 6.561 1.00 0.00 H new ATOM 1030 N ARG A 63 76.251 1.044 10.097 1.00 0.00 N ATOM 1031 CA ARG A 63 76.059 0.918 11.567 1.00 0.00 C ATOM 1032 C ARG A 63 77.065 1.810 12.297 1.00 0.00 C ATOM 1033 O ARG A 63 76.958 2.036 13.486 1.00 0.00 O ATOM 1034 CB ARG A 63 76.269 -0.539 11.986 1.00 0.00 C ATOM 1035 CG ARG A 63 75.018 -1.047 12.705 1.00 0.00 C ATOM 1036 CD ARG A 63 75.327 -2.380 13.389 1.00 0.00 C ATOM 1037 NE ARG A 63 74.933 -2.304 14.824 1.00 0.00 N ATOM 1038 CZ ARG A 63 73.815 -1.723 15.163 1.00 0.00 C ATOM 1039 NH1 ARG A 63 72.674 -2.299 14.902 1.00 0.00 N ATOM 1040 NH2 ARG A 63 73.840 -0.565 15.765 1.00 0.00 N ATOM 0 H ARG A 63 76.519 0.183 9.620 1.00 0.00 H new ATOM 0 HA ARG A 63 75.047 1.229 11.827 1.00 0.00 H new ATOM 0 HB2 ARG A 63 76.474 -1.155 11.110 1.00 0.00 H new ATOM 0 HB3 ARG A 63 77.136 -0.619 12.642 1.00 0.00 H new ATOM 0 HG2 ARG A 63 74.688 -0.316 13.443 1.00 0.00 H new ATOM 0 HG3 ARG A 63 74.202 -1.172 11.993 1.00 0.00 H new ATOM 0 HD2 ARG A 63 74.788 -3.188 12.895 1.00 0.00 H new ATOM 0 HD3 ARG A 63 76.390 -2.607 13.304 1.00 0.00 H new ATOM 0 HE ARG A 63 75.537 -2.706 15.541 1.00 0.00 H new ATOM 0 HH11 ARG A 63 72.655 -3.204 14.433 1.00 0.00 H new ATOM 0 HH12 ARG A 63 71.801 -1.844 15.167 1.00 0.00 H new ATOM 0 HH21 ARG A 63 74.733 -0.116 15.970 1.00 0.00 H new ATOM 0 HH22 ARG A 63 72.967 -0.109 16.031 1.00 0.00 H new ATOM 1054 N ARG A 64 78.043 2.321 11.598 1.00 0.00 N ATOM 1055 CA ARG A 64 79.049 3.195 12.258 1.00 0.00 C ATOM 1056 C ARG A 64 79.986 3.790 11.204 1.00 0.00 C ATOM 1057 O ARG A 64 81.161 3.981 11.443 1.00 0.00 O ATOM 1058 CB ARG A 64 79.863 2.373 13.260 1.00 0.00 C ATOM 1059 CG ARG A 64 80.400 3.293 14.357 1.00 0.00 C ATOM 1060 CD ARG A 64 81.626 2.649 15.008 1.00 0.00 C ATOM 1061 NE ARG A 64 81.182 1.656 16.027 1.00 0.00 N ATOM 1062 CZ ARG A 64 80.471 2.045 17.050 1.00 0.00 C ATOM 1063 NH1 ARG A 64 80.429 3.308 17.375 1.00 0.00 N ATOM 1064 NH2 ARG A 64 79.801 1.168 17.749 1.00 0.00 N ATOM 0 H ARG A 64 78.187 2.170 10.600 1.00 0.00 H new ATOM 0 HA ARG A 64 78.536 4.002 12.782 1.00 0.00 H new ATOM 0 HB2 ARG A 64 79.240 1.593 13.698 1.00 0.00 H new ATOM 0 HB3 ARG A 64 80.689 1.875 12.752 1.00 0.00 H new ATOM 0 HG2 ARG A 64 80.666 4.262 13.936 1.00 0.00 H new ATOM 0 HG3 ARG A 64 79.629 3.472 15.106 1.00 0.00 H new ATOM 0 HD2 ARG A 64 82.239 2.160 14.251 1.00 0.00 H new ATOM 0 HD3 ARG A 64 82.247 3.413 15.475 1.00 0.00 H new ATOM 0 HE ARG A 64 81.434 0.673 15.925 1.00 0.00 H new ATOM 0 HH11 ARG A 64 80.952 3.993 16.829 1.00 0.00 H new ATOM 0 HH12 ARG A 64 79.873 3.611 18.175 1.00 0.00 H new ATOM 0 HH21 ARG A 64 79.834 0.181 17.495 1.00 0.00 H new ATOM 0 HH22 ARG A 64 79.245 1.471 18.549 1.00 0.00 H new ATOM 1078 N LEU A 65 79.476 4.087 10.039 1.00 0.00 N ATOM 1079 CA LEU A 65 80.338 4.672 8.975 1.00 0.00 C ATOM 1080 C LEU A 65 80.945 5.982 9.481 1.00 0.00 C ATOM 1081 O LEU A 65 81.893 6.496 8.925 1.00 0.00 O ATOM 1082 CB LEU A 65 79.497 4.945 7.727 1.00 0.00 C ATOM 1083 CG LEU A 65 80.299 5.800 6.746 1.00 0.00 C ATOM 1084 CD1 LEU A 65 81.513 5.010 6.253 1.00 0.00 C ATOM 1085 CD2 LEU A 65 79.415 6.169 5.553 1.00 0.00 C ATOM 0 H LEU A 65 78.499 3.949 9.779 1.00 0.00 H new ATOM 0 HA LEU A 65 81.136 3.972 8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 65 79.211 4.005 7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 65 78.575 5.457 8.002 1.00 0.00 H new ATOM 0 HG LEU A 65 80.635 6.708 7.247 1.00 0.00 H new ATOM 0 HD11 LEU A 65 82.085 5.620 5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 65 82.143 4.744 7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 65 81.177 4.102 5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 65 79.985 6.779 4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 65 79.080 5.260 5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 65 78.549 6.731 5.902 1.00 0.00 H new ATOM 1097 N LEU A 66 80.397 6.524 10.533 1.00 0.00 N ATOM 1098 CA LEU A 66 80.927 7.803 11.087 1.00 0.00 C ATOM 1099 C LEU A 66 82.432 7.686 11.328 1.00 0.00 C ATOM 1100 O LEU A 66 83.137 8.669 11.441 1.00 0.00 O ATOM 1101 CB LEU A 66 80.239 8.089 12.417 1.00 0.00 C ATOM 1102 CG LEU A 66 80.279 6.835 13.293 1.00 0.00 C ATOM 1103 CD1 LEU A 66 81.406 6.966 14.319 1.00 0.00 C ATOM 1104 CD2 LEU A 66 78.943 6.680 14.023 1.00 0.00 C ATOM 0 H LEU A 66 79.600 6.134 11.036 1.00 0.00 H new ATOM 0 HA LEU A 66 80.735 8.608 10.377 1.00 0.00 H new ATOM 0 HB2 LEU A 66 80.735 8.916 12.925 1.00 0.00 H new ATOM 0 HB3 LEU A 66 79.206 8.393 12.246 1.00 0.00 H new ATOM 0 HG LEU A 66 80.456 5.960 12.667 1.00 0.00 H new ATOM 0 HD11 LEU A 66 81.435 6.073 14.943 1.00 0.00 H new ATOM 0 HD12 LEU A 66 82.358 7.078 13.801 1.00 0.00 H new ATOM 0 HD13 LEU A 66 81.229 7.841 14.945 1.00 0.00 H new ATOM 0 HD21 LEU A 66 78.971 5.787 14.647 1.00 0.00 H new ATOM 0 HD22 LEU A 66 78.767 7.555 14.649 1.00 0.00 H new ATOM 0 HD23 LEU A 66 78.138 6.588 13.294 1.00 0.00 H new ATOM 1116 N ARG A 67 82.926 6.490 11.425 1.00 0.00 N ATOM 1117 CA ARG A 67 84.378 6.296 11.676 1.00 0.00 C ATOM 1118 C ARG A 67 85.159 6.365 10.361 1.00 0.00 C ATOM 1119 O ARG A 67 86.263 5.867 10.262 1.00 0.00 O ATOM 1120 CB ARG A 67 84.603 4.929 12.327 1.00 0.00 C ATOM 1121 CG ARG A 67 84.018 3.835 11.431 1.00 0.00 C ATOM 1122 CD ARG A 67 85.152 3.106 10.707 1.00 0.00 C ATOM 1123 NE ARG A 67 85.671 2.010 11.572 1.00 0.00 N ATOM 1124 CZ ARG A 67 85.014 0.886 11.665 1.00 0.00 C ATOM 1125 NH1 ARG A 67 84.595 0.284 10.586 1.00 0.00 N ATOM 1126 NH2 ARG A 67 84.776 0.365 12.837 1.00 0.00 N ATOM 0 H ARG A 67 82.384 5.630 11.341 1.00 0.00 H new ATOM 0 HA ARG A 67 84.730 7.086 12.339 1.00 0.00 H new ATOM 0 HB2 ARG A 67 85.669 4.758 12.480 1.00 0.00 H new ATOM 0 HB3 ARG A 67 84.132 4.900 13.309 1.00 0.00 H new ATOM 0 HG2 ARG A 67 83.442 3.129 12.030 1.00 0.00 H new ATOM 0 HG3 ARG A 67 83.332 4.273 10.706 1.00 0.00 H new ATOM 0 HD2 ARG A 67 84.792 2.698 9.762 1.00 0.00 H new ATOM 0 HD3 ARG A 67 85.953 3.805 10.468 1.00 0.00 H new ATOM 0 HE ARG A 67 86.539 2.138 12.091 1.00 0.00 H new ATOM 0 HH11 ARG A 67 84.781 0.692 9.670 1.00 0.00 H new ATOM 0 HH12 ARG A 67 84.082 -0.594 10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 67 85.103 0.836 13.680 1.00 0.00 H new ATOM 0 HH22 ARG A 67 84.263 -0.513 12.910 1.00 0.00 H new ATOM 1140 N TYR A 68 84.604 6.975 9.350 1.00 0.00 N ATOM 1141 CA TYR A 68 85.330 7.063 8.056 1.00 0.00 C ATOM 1142 C TYR A 68 84.763 8.204 7.205 1.00 0.00 C ATOM 1143 O TYR A 68 85.482 9.085 6.775 1.00 0.00 O ATOM 1144 CB TYR A 68 85.184 5.742 7.298 1.00 0.00 C ATOM 1145 CG TYR A 68 86.083 5.754 6.086 1.00 0.00 C ATOM 1146 CD1 TYR A 68 87.448 6.031 6.231 1.00 0.00 C ATOM 1147 CD2 TYR A 68 85.554 5.490 4.818 1.00 0.00 C ATOM 1148 CE1 TYR A 68 88.282 6.044 5.107 1.00 0.00 C ATOM 1149 CE2 TYR A 68 86.388 5.503 3.693 1.00 0.00 C ATOM 1150 CZ TYR A 68 87.753 5.780 3.838 1.00 0.00 C ATOM 1151 OH TYR A 68 88.576 5.793 2.731 1.00 0.00 O ATOM 0 H TYR A 68 83.683 7.414 9.365 1.00 0.00 H new ATOM 0 HA TYR A 68 86.384 7.259 8.255 1.00 0.00 H new ATOM 0 HB2 TYR A 68 85.444 4.907 7.948 1.00 0.00 H new ATOM 0 HB3 TYR A 68 84.147 5.598 6.993 1.00 0.00 H new ATOM 0 HD1 TYR A 68 87.857 6.234 7.210 1.00 0.00 H new ATOM 0 HD2 TYR A 68 84.501 5.276 4.707 1.00 0.00 H new ATOM 0 HE1 TYR A 68 89.335 6.258 5.219 1.00 0.00 H new ATOM 0 HE2 TYR A 68 85.979 5.300 2.714 1.00 0.00 H new ATOM 0 HH TYR A 68 88.050 5.589 1.930 1.00 0.00 H new ATOM 1161 N LEU A 69 83.486 8.188 6.942 1.00 0.00 N ATOM 1162 CA LEU A 69 82.882 9.260 6.104 1.00 0.00 C ATOM 1163 C LEU A 69 82.721 10.547 6.916 1.00 0.00 C ATOM 1164 O LEU A 69 83.433 11.510 6.716 1.00 0.00 O ATOM 1165 CB LEU A 69 81.513 8.802 5.600 1.00 0.00 C ATOM 1166 CG LEU A 69 80.940 9.854 4.649 1.00 0.00 C ATOM 1167 CD1 LEU A 69 80.770 9.248 3.255 1.00 0.00 C ATOM 1168 CD2 LEU A 69 79.579 10.322 5.170 1.00 0.00 C ATOM 0 H LEU A 69 82.834 7.477 7.272 1.00 0.00 H new ATOM 0 HA LEU A 69 83.541 9.458 5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 69 81.604 7.844 5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 69 80.836 8.650 6.441 1.00 0.00 H new ATOM 0 HG LEU A 69 81.622 10.702 4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 69 80.362 9.999 2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 69 81.738 8.913 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 69 80.089 8.399 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 69 79.169 11.072 4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 69 78.899 9.472 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 69 79.699 10.756 6.163 1.00 0.00 H new ATOM 1180 N GLN A 70 81.780 10.581 7.819 1.00 0.00 N ATOM 1181 CA GLN A 70 81.572 11.818 8.624 1.00 0.00 C ATOM 1182 C GLN A 70 82.908 12.277 9.216 1.00 0.00 C ATOM 1183 O GLN A 70 83.154 13.455 9.390 1.00 0.00 O ATOM 1184 CB GLN A 70 80.576 11.533 9.756 1.00 0.00 C ATOM 1185 CG GLN A 70 81.281 10.808 10.904 1.00 0.00 C ATOM 1186 CD GLN A 70 81.918 11.836 11.841 1.00 0.00 C ATOM 1187 OE1 GLN A 70 83.082 11.733 12.174 1.00 0.00 O ATOM 1188 NE2 GLN A 70 81.199 12.831 12.286 1.00 0.00 N ATOM 0 H GLN A 70 81.148 9.809 8.034 1.00 0.00 H new ATOM 0 HA GLN A 70 81.174 12.604 7.983 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.145 12.467 10.116 1.00 0.00 H new ATOM 0 HB3 GLN A 70 79.752 10.925 9.382 1.00 0.00 H new ATOM 0 HG2 GLN A 70 80.568 10.193 11.453 1.00 0.00 H new ATOM 0 HG3 GLN A 70 82.044 10.137 10.510 1.00 0.00 H new ATOM 0 HE21 GLN A 70 80.222 12.919 12.007 1.00 0.00 H new ATOM 0 HE22 GLN A 70 81.615 13.521 12.912 1.00 0.00 H new ATOM 1197 N ARG A 71 83.765 11.349 9.536 1.00 0.00 N ATOM 1198 CA ARG A 71 85.081 11.711 10.131 1.00 0.00 C ATOM 1199 C ARG A 71 86.008 12.277 9.052 1.00 0.00 C ATOM 1200 O ARG A 71 86.808 13.155 9.308 1.00 0.00 O ATOM 1201 CB ARG A 71 85.715 10.469 10.767 1.00 0.00 C ATOM 1202 CG ARG A 71 86.318 9.574 9.681 1.00 0.00 C ATOM 1203 CD ARG A 71 87.769 9.988 9.428 1.00 0.00 C ATOM 1204 NE ARG A 71 88.590 8.778 9.147 1.00 0.00 N ATOM 1205 CZ ARG A 71 89.571 8.455 9.945 1.00 0.00 C ATOM 1206 NH1 ARG A 71 90.735 9.027 9.813 1.00 0.00 N ATOM 1207 NH2 ARG A 71 89.385 7.560 10.878 1.00 0.00 N ATOM 0 H ARG A 71 83.609 10.349 9.410 1.00 0.00 H new ATOM 0 HA ARG A 71 84.931 12.471 10.897 1.00 0.00 H new ATOM 0 HB2 ARG A 71 86.488 10.767 11.475 1.00 0.00 H new ATOM 0 HB3 ARG A 71 84.964 9.915 11.330 1.00 0.00 H new ATOM 0 HG2 ARG A 71 86.275 8.530 9.990 1.00 0.00 H new ATOM 0 HG3 ARG A 71 85.739 9.659 8.762 1.00 0.00 H new ATOM 0 HD2 ARG A 71 87.820 10.678 8.586 1.00 0.00 H new ATOM 0 HD3 ARG A 71 88.164 10.515 10.296 1.00 0.00 H new ATOM 0 HE ARG A 71 88.386 8.201 8.331 1.00 0.00 H new ATOM 0 HH11 ARG A 71 90.879 9.727 9.086 1.00 0.00 H new ATOM 0 HH12 ARG A 71 91.501 8.774 10.437 1.00 0.00 H new ATOM 0 HH21 ARG A 71 88.474 7.114 10.983 1.00 0.00 H new ATOM 0 HH22 ARG A 71 90.151 7.307 11.502 1.00 0.00 H new ATOM 1221 N GLU A 72 85.906 11.788 7.844 1.00 0.00 N ATOM 1222 CA GLU A 72 86.781 12.306 6.757 1.00 0.00 C ATOM 1223 C GLU A 72 86.107 13.489 6.076 1.00 0.00 C ATOM 1224 O GLU A 72 86.452 13.882 4.979 1.00 0.00 O ATOM 1225 CB GLU A 72 87.023 11.207 5.734 1.00 0.00 C ATOM 1226 CG GLU A 72 88.034 10.208 6.296 1.00 0.00 C ATOM 1227 CD GLU A 72 88.664 9.414 5.151 1.00 0.00 C ATOM 1228 OE1 GLU A 72 88.481 9.810 4.011 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.320 8.425 5.433 1.00 0.00 O ATOM 0 H GLU A 72 85.255 11.054 7.566 1.00 0.00 H new ATOM 0 HA GLU A 72 87.732 12.626 7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.087 10.701 5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.396 11.636 4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.808 10.734 6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.541 9.531 6.993 1.00 0.00 H new ATOM 1236 N ASP A 73 85.151 14.046 6.731 1.00 0.00 N ATOM 1237 CA ASP A 73 84.416 15.211 6.169 1.00 0.00 C ATOM 1238 C ASP A 73 83.102 15.387 6.939 1.00 0.00 C ATOM 1239 O ASP A 73 82.206 14.577 6.814 1.00 0.00 O ATOM 1240 CB ASP A 73 84.106 14.952 4.692 1.00 0.00 C ATOM 1241 CG ASP A 73 85.026 15.808 3.820 1.00 0.00 C ATOM 1242 OD1 ASP A 73 85.354 16.906 4.238 1.00 0.00 O ATOM 1243 OD2 ASP A 73 85.387 15.350 2.749 1.00 0.00 O ATOM 0 H ASP A 73 84.833 13.745 7.652 1.00 0.00 H new ATOM 0 HA ASP A 73 85.024 16.111 6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.246 13.896 4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 73 83.063 15.189 4.481 1.00 0.00 H new ATOM 1248 N PRO A 74 83.021 16.441 7.713 1.00 0.00 N ATOM 1249 CA PRO A 74 81.820 16.735 8.509 1.00 0.00 C ATOM 1250 C PRO A 74 80.719 17.262 7.594 1.00 0.00 C ATOM 1251 O PRO A 74 79.544 17.068 7.837 1.00 0.00 O ATOM 1252 CB PRO A 74 82.291 17.801 9.503 1.00 0.00 C ATOM 1253 CG PRO A 74 83.546 18.452 8.876 1.00 0.00 C ATOM 1254 CD PRO A 74 84.104 17.435 7.861 1.00 0.00 C ATOM 0 HA PRO A 74 81.404 15.865 9.018 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.512 18.544 9.675 1.00 0.00 H new ATOM 0 HB3 PRO A 74 82.526 17.355 10.470 1.00 0.00 H new ATOM 0 HG2 PRO A 74 83.292 19.391 8.385 1.00 0.00 H new ATOM 0 HG3 PRO A 74 84.287 18.683 9.641 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.341 17.911 6.909 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.022 16.973 8.224 1.00 0.00 H new ATOM 1262 N GLU A 75 81.097 17.902 6.527 1.00 0.00 N ATOM 1263 CA GLU A 75 80.084 18.416 5.572 1.00 0.00 C ATOM 1264 C GLU A 75 79.532 17.233 4.781 1.00 0.00 C ATOM 1265 O GLU A 75 78.513 17.325 4.129 1.00 0.00 O ATOM 1266 CB GLU A 75 80.733 19.422 4.619 1.00 0.00 C ATOM 1267 CG GLU A 75 81.578 20.414 5.419 1.00 0.00 C ATOM 1268 CD GLU A 75 81.822 21.671 4.580 1.00 0.00 C ATOM 1269 OE1 GLU A 75 81.034 21.923 3.684 1.00 0.00 O ATOM 1270 OE2 GLU A 75 82.791 22.360 4.850 1.00 0.00 O ATOM 0 H GLU A 75 82.067 18.092 6.275 1.00 0.00 H new ATOM 0 HA GLU A 75 79.279 18.917 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 75 81.356 18.900 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 75 79.965 19.953 4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 75 81.069 20.676 6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 75 82.529 19.958 5.695 1.00 0.00 H new ATOM 1277 N ARG A 76 80.198 16.110 4.854 1.00 0.00 N ATOM 1278 CA ARG A 76 79.716 14.908 4.136 1.00 0.00 C ATOM 1279 C ARG A 76 78.750 14.164 5.055 1.00 0.00 C ATOM 1280 O ARG A 76 77.895 13.423 4.612 1.00 0.00 O ATOM 1281 CB ARG A 76 80.900 14.004 3.786 1.00 0.00 C ATOM 1282 CG ARG A 76 81.573 14.514 2.509 1.00 0.00 C ATOM 1283 CD ARG A 76 82.754 13.607 2.156 1.00 0.00 C ATOM 1284 NE ARG A 76 82.825 13.440 0.676 1.00 0.00 N ATOM 1285 CZ ARG A 76 83.923 13.000 0.122 1.00 0.00 C ATOM 1286 NH1 ARG A 76 84.635 12.085 0.722 1.00 0.00 N ATOM 1287 NH2 ARG A 76 84.307 13.474 -1.030 1.00 0.00 N ATOM 0 H ARG A 76 81.059 15.980 5.385 1.00 0.00 H new ATOM 0 HA ARG A 76 79.214 15.195 3.212 1.00 0.00 H new ATOM 0 HB2 ARG A 76 81.617 13.992 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 76 80.559 12.978 3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 76 80.855 14.530 1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 76 81.917 15.538 2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 76 83.683 14.039 2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 76 82.638 12.636 2.637 1.00 0.00 H new ATOM 0 HE ARG A 76 82.017 13.669 0.097 1.00 0.00 H new ATOM 0 HH11 ARG A 76 84.334 11.714 1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 76 85.492 11.741 0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 76 83.750 14.188 -1.499 1.00 0.00 H new ATOM 0 HH22 ARG A 76 85.164 13.130 -1.463 1.00 0.00 H new ATOM 1301 N TYR A 77 78.879 14.369 6.341 1.00 0.00 N ATOM 1302 CA TYR A 77 77.972 13.696 7.301 1.00 0.00 C ATOM 1303 C TYR A 77 76.695 14.522 7.440 1.00 0.00 C ATOM 1304 O TYR A 77 76.231 14.784 8.532 1.00 0.00 O ATOM 1305 CB TYR A 77 78.635 13.598 8.671 1.00 0.00 C ATOM 1306 CG TYR A 77 77.915 12.560 9.497 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.545 11.336 8.921 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.619 12.820 10.838 1.00 0.00 C ATOM 1309 CE1 TYR A 77 76.877 10.375 9.691 1.00 0.00 C ATOM 1310 CE2 TYR A 77 76.952 11.859 11.608 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.582 10.636 11.034 1.00 0.00 C ATOM 1312 OH TYR A 77 75.925 9.689 11.793 1.00 0.00 O ATOM 0 H TYR A 77 79.580 14.978 6.763 1.00 0.00 H new ATOM 0 HA TYR A 77 77.746 12.695 6.934 1.00 0.00 H new ATOM 0 HB2 TYR A 77 79.685 13.329 8.562 1.00 0.00 H new ATOM 0 HB3 TYR A 77 78.605 14.565 9.173 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.775 11.135 7.885 1.00 0.00 H new ATOM 0 HD2 TYR A 77 77.905 13.763 11.281 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.590 9.433 9.248 1.00 0.00 H new ATOM 0 HE2 TYR A 77 76.723 12.061 12.644 1.00 0.00 H new ATOM 0 HH TYR A 77 75.799 10.029 12.703 1.00 0.00 H new ATOM 1322 N ARG A 78 76.135 14.956 6.349 1.00 0.00 N ATOM 1323 CA ARG A 78 74.909 15.786 6.431 1.00 0.00 C ATOM 1324 C ARG A 78 74.136 15.714 5.112 1.00 0.00 C ATOM 1325 O ARG A 78 73.370 16.598 4.786 1.00 0.00 O ATOM 1326 CB ARG A 78 75.315 17.237 6.704 1.00 0.00 C ATOM 1327 CG ARG A 78 76.316 17.684 5.641 1.00 0.00 C ATOM 1328 CD ARG A 78 75.565 18.279 4.449 1.00 0.00 C ATOM 1329 NE ARG A 78 76.176 19.586 4.080 1.00 0.00 N ATOM 1330 CZ ARG A 78 75.906 20.130 2.924 1.00 0.00 C ATOM 1331 NH1 ARG A 78 74.785 20.776 2.753 1.00 0.00 N ATOM 1332 NH2 ARG A 78 76.759 20.029 1.942 1.00 0.00 N ATOM 0 H ARG A 78 76.474 14.771 5.405 1.00 0.00 H new ATOM 0 HA ARG A 78 74.271 15.416 7.234 1.00 0.00 H new ATOM 0 HB2 ARG A 78 74.437 17.882 6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 78 75.757 17.323 7.697 1.00 0.00 H new ATOM 0 HG2 ARG A 78 77.000 18.423 6.059 1.00 0.00 H new ATOM 0 HG3 ARG A 78 76.921 16.837 5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 78 75.605 17.594 3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 78 74.513 18.415 4.699 1.00 0.00 H new ATOM 0 HE ARG A 78 76.805 20.056 4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 78 74.120 20.856 3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 78 74.574 21.201 1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 78 77.636 19.526 2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 78 76.549 20.453 1.039 1.00 0.00 H new ATOM 1346 N ALA A 79 74.328 14.674 4.347 1.00 0.00 N ATOM 1347 CA ALA A 79 73.599 14.568 3.061 1.00 0.00 C ATOM 1348 C ALA A 79 73.073 13.154 2.875 1.00 0.00 C ATOM 1349 O ALA A 79 71.880 12.921 2.858 1.00 0.00 O ATOM 1350 CB ALA A 79 74.539 14.928 1.912 1.00 0.00 C ATOM 0 H ALA A 79 74.956 13.899 4.559 1.00 0.00 H new ATOM 0 HA ALA A 79 72.756 15.258 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.003 14.850 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.899 15.949 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.386 14.242 1.907 1.00 0.00 H new ATOM 1356 N LEU A 80 73.946 12.208 2.747 1.00 0.00 N ATOM 1357 CA LEU A 80 73.489 10.804 2.576 1.00 0.00 C ATOM 1358 C LEU A 80 72.859 10.323 3.882 1.00 0.00 C ATOM 1359 O LEU A 80 72.334 9.231 3.962 1.00 0.00 O ATOM 1360 CB LEU A 80 74.678 9.914 2.212 1.00 0.00 C ATOM 1361 CG LEU A 80 75.847 10.232 3.139 1.00 0.00 C ATOM 1362 CD1 LEU A 80 76.218 8.983 3.942 1.00 0.00 C ATOM 1363 CD2 LEU A 80 77.051 10.680 2.307 1.00 0.00 C ATOM 0 H LEU A 80 74.957 12.341 2.753 1.00 0.00 H new ATOM 0 HA LEU A 80 72.752 10.752 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 80 74.402 8.863 2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 80 74.967 10.079 1.174 1.00 0.00 H new ATOM 0 HG LEU A 80 75.560 11.031 3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 80 77.053 9.211 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 80 75.361 8.664 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.504 8.183 3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 80 77.886 10.907 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.337 9.882 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 80 76.788 11.570 1.736 1.00 0.00 H new ATOM 1375 N ILE A 81 72.885 11.139 4.904 1.00 0.00 N ATOM 1376 CA ILE A 81 72.265 10.728 6.184 1.00 0.00 C ATOM 1377 C ILE A 81 70.754 10.889 6.041 1.00 0.00 C ATOM 1378 O ILE A 81 69.978 10.099 6.540 1.00 0.00 O ATOM 1379 CB ILE A 81 72.826 11.579 7.349 1.00 0.00 C ATOM 1380 CG1 ILE A 81 71.823 12.651 7.797 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.126 12.253 6.933 1.00 0.00 C ATOM 1382 CD1 ILE A 81 70.818 12.023 8.764 1.00 0.00 C ATOM 0 H ILE A 81 73.308 12.067 4.901 1.00 0.00 H new ATOM 0 HA ILE A 81 72.498 9.688 6.413 1.00 0.00 H new ATOM 0 HB ILE A 81 73.011 10.905 8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.346 13.476 8.281 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.304 13.066 6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.509 12.848 7.762 1.00 0.00 H new ATOM 0 HG22 ILE A 81 74.859 11.493 6.662 1.00 0.00 H new ATOM 0 HG23 ILE A 81 73.942 12.901 6.076 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.102 12.779 9.087 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.289 11.212 8.263 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.346 11.629 9.633 1.00 0.00 H new ATOM 1394 N GLU A 82 70.341 11.907 5.349 1.00 0.00 N ATOM 1395 CA GLU A 82 68.891 12.133 5.151 1.00 0.00 C ATOM 1396 C GLU A 82 68.420 11.392 3.896 1.00 0.00 C ATOM 1397 O GLU A 82 67.237 11.270 3.649 1.00 0.00 O ATOM 1398 CB GLU A 82 68.626 13.632 4.992 1.00 0.00 C ATOM 1399 CG GLU A 82 68.639 14.302 6.367 1.00 0.00 C ATOM 1400 CD GLU A 82 69.722 15.382 6.399 1.00 0.00 C ATOM 1401 OE1 GLU A 82 70.089 15.856 5.337 1.00 0.00 O ATOM 1402 OE2 GLU A 82 70.166 15.716 7.485 1.00 0.00 O ATOM 0 H GLU A 82 70.951 12.596 4.909 1.00 0.00 H new ATOM 0 HA GLU A 82 68.345 11.757 6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 82 69.385 14.080 4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 82 67.663 13.792 4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 82 67.665 14.743 6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 82 68.827 13.560 7.143 1.00 0.00 H new ATOM 1409 N LYS A 83 69.331 10.902 3.092 1.00 0.00 N ATOM 1410 CA LYS A 83 68.917 10.185 1.861 1.00 0.00 C ATOM 1411 C LYS A 83 69.122 8.675 2.031 1.00 0.00 C ATOM 1412 O LYS A 83 69.199 7.944 1.064 1.00 0.00 O ATOM 1413 CB LYS A 83 69.752 10.682 0.679 1.00 0.00 C ATOM 1414 CG LYS A 83 69.860 12.207 0.735 1.00 0.00 C ATOM 1415 CD LYS A 83 69.443 12.801 -0.613 1.00 0.00 C ATOM 1416 CE LYS A 83 69.553 14.326 -0.555 1.00 0.00 C ATOM 1417 NZ LYS A 83 68.938 14.914 -1.779 1.00 0.00 N ATOM 0 H LYS A 83 70.338 10.970 3.239 1.00 0.00 H new ATOM 0 HA LYS A 83 67.861 10.380 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 83 70.746 10.235 0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 83 69.292 10.374 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 83 69.223 12.598 1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 83 70.882 12.501 0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 83 70.079 12.410 -1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 83 68.420 12.508 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 83 69.051 14.704 0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 83 70.599 14.624 -0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 69.012 15.951 -1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 69.436 14.562 -2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 67.936 14.640 -1.830 1.00 0.00 H new ATOM 1431 N LEU A 84 69.212 8.199 3.244 1.00 0.00 N ATOM 1432 CA LEU A 84 69.414 6.741 3.449 1.00 0.00 C ATOM 1433 C LEU A 84 68.668 6.263 4.698 1.00 0.00 C ATOM 1434 O LEU A 84 67.631 5.634 4.614 1.00 0.00 O ATOM 1435 CB LEU A 84 70.909 6.456 3.606 1.00 0.00 C ATOM 1436 CG LEU A 84 71.669 7.096 2.447 1.00 0.00 C ATOM 1437 CD1 LEU A 84 73.172 6.924 2.666 1.00 0.00 C ATOM 1438 CD2 LEU A 84 71.266 6.417 1.136 1.00 0.00 C ATOM 0 H LEU A 84 69.154 8.756 4.096 1.00 0.00 H new ATOM 0 HA LEU A 84 69.022 6.206 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 84 71.269 6.853 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 84 71.086 5.381 3.622 1.00 0.00 H new ATOM 0 HG LEU A 84 71.427 8.158 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 84 73.715 7.381 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 84 73.461 7.406 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 84 73.413 5.862 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 84 71.808 6.874 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 84 71.508 5.355 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 84 70.194 6.538 0.978 1.00 0.00 H new ATOM 1450 N GLY A 85 69.197 6.543 5.854 1.00 0.00 N ATOM 1451 CA GLY A 85 68.540 6.095 7.116 1.00 0.00 C ATOM 1452 C GLY A 85 69.618 5.920 8.185 1.00 0.00 C ATOM 1453 O GLY A 85 69.833 4.842 8.704 1.00 0.00 O ATOM 0 H GLY A 85 70.063 7.067 5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 85 67.801 6.828 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 85 68.010 5.156 6.955 1.00 0.00 H new ATOM 1457 N ILE A 86 70.314 6.976 8.491 1.00 0.00 N ATOM 1458 CA ILE A 86 71.392 6.934 9.472 1.00 0.00 C ATOM 1459 C ILE A 86 70.805 7.216 10.869 1.00 0.00 C ATOM 1460 O ILE A 86 70.012 6.445 11.372 1.00 0.00 O ATOM 1461 CB ILE A 86 72.343 8.024 9.000 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.593 8.134 9.854 1.00 0.00 C ATOM 1463 CG2 ILE A 86 71.599 9.350 9.020 1.00 0.00 C ATOM 1464 CD1 ILE A 86 73.920 6.795 10.526 1.00 0.00 C ATOM 0 H ILE A 86 70.161 7.895 8.076 1.00 0.00 H new ATOM 0 HA ILE A 86 71.904 5.975 9.551 1.00 0.00 H new ATOM 0 HB ILE A 86 72.673 7.765 7.994 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.433 8.449 9.236 1.00 0.00 H new ATOM 0 HG13 ILE A 86 73.451 8.902 10.615 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.264 10.146 8.685 1.00 0.00 H new ATOM 0 HG22 ILE A 86 70.737 9.294 8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.262 9.563 10.034 1.00 0.00 H new ATOM 0 HD11 ILE A 86 74.820 6.902 11.132 1.00 0.00 H new ATOM 0 HD12 ILE A 86 73.088 6.495 11.163 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.085 6.035 9.762 1.00 0.00 H new ATOM 1476 N ARG A 87 71.169 8.298 11.499 1.00 0.00 N ATOM 1477 CA ARG A 87 70.631 8.609 12.823 1.00 0.00 C ATOM 1478 C ARG A 87 70.126 10.050 12.817 1.00 0.00 C ATOM 1479 O ARG A 87 69.338 10.442 11.980 1.00 0.00 O ATOM 1480 CB ARG A 87 71.747 8.414 13.846 1.00 0.00 C ATOM 1481 CG ARG A 87 72.118 6.931 13.921 1.00 0.00 C ATOM 1482 CD ARG A 87 73.307 6.749 14.866 1.00 0.00 C ATOM 1483 NE ARG A 87 74.484 7.490 14.333 1.00 0.00 N ATOM 1484 CZ ARG A 87 75.365 7.992 15.153 1.00 0.00 C ATOM 1485 NH1 ARG A 87 75.089 9.077 15.822 1.00 0.00 N ATOM 1486 NH2 ARG A 87 76.522 7.409 15.305 1.00 0.00 N ATOM 0 H ARG A 87 71.830 8.983 11.133 1.00 0.00 H new ATOM 0 HA ARG A 87 69.798 7.955 13.082 1.00 0.00 H new ATOM 0 HB2 ARG A 87 72.619 9.004 13.565 1.00 0.00 H new ATOM 0 HB3 ARG A 87 71.424 8.769 14.825 1.00 0.00 H new ATOM 0 HG2 ARG A 87 71.266 6.350 14.275 1.00 0.00 H new ATOM 0 HG3 ARG A 87 72.369 6.557 12.928 1.00 0.00 H new ATOM 0 HD2 ARG A 87 73.054 7.115 15.861 1.00 0.00 H new ATOM 0 HD3 ARG A 87 73.546 5.690 14.967 1.00 0.00 H new ATOM 0 HE ARG A 87 74.601 7.605 13.326 1.00 0.00 H new ATOM 0 HH11 ARG A 87 74.184 9.533 15.704 1.00 0.00 H new ATOM 0 HH12 ARG A 87 75.778 9.470 16.463 1.00 0.00 H new ATOM 0 HH21 ARG A 87 76.738 6.560 14.782 1.00 0.00 H new ATOM 0 HH22 ARG A 87 77.211 7.802 15.946 1.00 0.00 H new ATOM 1500 N GLY A 88 70.571 10.835 13.737 1.00 0.00 N ATOM 1501 CA GLY A 88 70.126 12.255 13.799 1.00 0.00 C ATOM 1502 C GLY A 88 68.597 12.314 13.789 1.00 0.00 C ATOM 1503 O GLY A 88 68.064 13.233 13.190 1.00 0.00 O ATOM 1504 OXT GLY A 88 67.987 11.438 14.379 1.00 0.00 O ATOM 0 H GLY A 88 71.233 10.559 14.462 1.00 0.00 H new ATOM 0 HA2 GLY A 88 70.512 12.729 14.701 1.00 0.00 H new ATOM 0 HA3 GLY A 88 70.527 12.810 12.951 1.00 0.00 H new