USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=16 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 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= -0.393 K(o=-0.39,f=-3.5!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 21 THR OG1 : rot 172:sc= -1.1 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.68! C(o=-1.7!,f=-4.6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.85! C(o=-1.9!,f=-4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.73 F(o=-1.4,f=-0.73) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.12) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.014) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 50 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.14) USER MOD Single : A 51 SER OG : rot 59:sc= 0.265 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -1.25 F(o=-2.1,f=-1.2) USER MOD Single : A 57 MET CE :methyl -116:sc= -0.0258 (180deg=-0.374) USER MOD Single : A 58 MET CE :methyl 146:sc= -4.13! (180deg=-6.53!) USER MOD Single : A 61 GLN : amide:sc= -0.506 K(o=-0.51,f=-3.5!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.48 F(o=-1.2,f=-0.48) USER MOD Single : A 77 TYR OH : rot 164:sc= -4.8! USER MOD Single : A 83 LYS NZ :NH3+ -151:sc= -0.0452 (180deg=-0.469) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 75.060 -2.670 -12.943 1.00 0.00 N ATOM 37 CA THR A 3 74.161 -3.715 -13.498 1.00 0.00 C ATOM 38 C THR A 3 73.022 -3.059 -14.292 1.00 0.00 C ATOM 39 O THR A 3 73.094 -1.905 -14.664 1.00 0.00 O ATOM 40 CB THR A 3 73.608 -4.583 -12.352 1.00 0.00 C ATOM 41 OG1 THR A 3 73.474 -5.922 -12.806 1.00 0.00 O ATOM 42 CG2 THR A 3 72.242 -4.071 -11.883 1.00 0.00 C ATOM 0 HA THR A 3 74.722 -4.357 -14.178 1.00 0.00 H new ATOM 0 HB THR A 3 74.302 -4.533 -11.513 1.00 0.00 H new ATOM 0 HG1 THR A 3 73.124 -6.480 -12.080 1.00 0.00 H new ATOM 0 HG21 THR A 3 71.875 -4.702 -11.074 1.00 0.00 H new ATOM 0 HG22 THR A 3 72.340 -3.045 -11.527 1.00 0.00 H new ATOM 0 HG23 THR A 3 71.537 -4.101 -12.714 1.00 0.00 H new ATOM 50 N LYS A 4 71.979 -3.796 -14.561 1.00 0.00 N ATOM 51 CA LYS A 4 70.839 -3.233 -15.337 1.00 0.00 C ATOM 52 C LYS A 4 70.217 -2.055 -14.581 1.00 0.00 C ATOM 53 O LYS A 4 70.324 -0.917 -14.992 1.00 0.00 O ATOM 54 CB LYS A 4 69.780 -4.317 -15.546 1.00 0.00 C ATOM 55 CG LYS A 4 69.828 -4.806 -16.995 1.00 0.00 C ATOM 56 CD LYS A 4 69.659 -6.326 -17.026 1.00 0.00 C ATOM 57 CE LYS A 4 71.025 -6.988 -17.218 1.00 0.00 C ATOM 58 NZ LYS A 4 70.845 -8.314 -17.877 1.00 0.00 N ATOM 0 H LYS A 4 71.868 -4.769 -14.275 1.00 0.00 H new ATOM 0 HA LYS A 4 71.205 -2.884 -16.302 1.00 0.00 H new ATOM 0 HB2 LYS A 4 69.957 -5.149 -14.864 1.00 0.00 H new ATOM 0 HB3 LYS A 4 68.790 -3.922 -15.317 1.00 0.00 H new ATOM 0 HG2 LYS A 4 69.039 -4.330 -17.577 1.00 0.00 H new ATOM 0 HG3 LYS A 4 70.776 -4.525 -17.454 1.00 0.00 H new ATOM 0 HD2 LYS A 4 69.203 -6.671 -16.098 1.00 0.00 H new ATOM 0 HD3 LYS A 4 68.988 -6.611 -17.836 1.00 0.00 H new ATOM 0 HE2 LYS A 4 71.668 -6.351 -17.826 1.00 0.00 H new ATOM 0 HE3 LYS A 4 71.520 -7.112 -16.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 71.773 -8.765 -18.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 70.247 -8.920 -17.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 70.390 -8.183 -18.803 1.00 0.00 H new ATOM 72 N GLU A 5 69.556 -2.319 -13.485 1.00 0.00 N ATOM 73 CA GLU A 5 68.918 -1.216 -12.716 1.00 0.00 C ATOM 74 C GLU A 5 69.907 -0.630 -11.721 1.00 0.00 C ATOM 75 O GLU A 5 69.543 0.050 -10.781 1.00 0.00 O ATOM 76 CB GLU A 5 67.704 -1.754 -11.967 1.00 0.00 C ATOM 77 CG GLU A 5 66.425 -1.344 -12.698 1.00 0.00 C ATOM 78 CD GLU A 5 65.567 -2.583 -12.963 1.00 0.00 C ATOM 79 OE1 GLU A 5 64.928 -3.047 -12.033 1.00 0.00 O ATOM 80 OE2 GLU A 5 65.565 -3.047 -14.092 1.00 0.00 O ATOM 0 H GLU A 5 69.432 -3.251 -13.091 1.00 0.00 H new ATOM 0 HA GLU A 5 68.606 -0.435 -13.409 1.00 0.00 H new ATOM 0 HB2 GLU A 5 67.761 -2.840 -11.895 1.00 0.00 H new ATOM 0 HB3 GLU A 5 67.692 -1.367 -10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 5 65.867 -0.624 -12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 5 66.673 -0.853 -13.639 1.00 0.00 H new ATOM 87 N GLU A 6 71.151 -0.879 -11.935 1.00 0.00 N ATOM 88 CA GLU A 6 72.195 -0.338 -11.030 1.00 0.00 C ATOM 89 C GLU A 6 72.650 1.022 -11.534 1.00 0.00 C ATOM 90 O GLU A 6 73.519 1.661 -10.975 1.00 0.00 O ATOM 91 CB GLU A 6 73.378 -1.295 -11.002 1.00 0.00 C ATOM 92 CG GLU A 6 73.188 -2.319 -9.883 1.00 0.00 C ATOM 93 CD GLU A 6 73.736 -1.751 -8.572 1.00 0.00 C ATOM 94 OE1 GLU A 6 73.003 -1.041 -7.904 1.00 0.00 O ATOM 95 OE2 GLU A 6 74.881 -2.036 -8.259 1.00 0.00 O ATOM 0 H GLU A 6 71.503 -1.443 -12.709 1.00 0.00 H new ATOM 0 HA GLU A 6 71.789 -0.230 -10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 6 73.469 -1.804 -11.962 1.00 0.00 H new ATOM 0 HB3 GLU A 6 74.303 -0.740 -10.847 1.00 0.00 H new ATOM 0 HG2 GLU A 6 72.131 -2.561 -9.773 1.00 0.00 H new ATOM 0 HG3 GLU A 6 73.703 -3.246 -10.133 1.00 0.00 H new ATOM 102 N LYS A 7 72.054 1.457 -12.590 1.00 0.00 N ATOM 103 CA LYS A 7 72.408 2.772 -13.177 1.00 0.00 C ATOM 104 C LYS A 7 71.134 3.557 -13.508 1.00 0.00 C ATOM 105 O LYS A 7 71.191 4.704 -13.907 1.00 0.00 O ATOM 106 CB LYS A 7 73.223 2.559 -14.454 1.00 0.00 C ATOM 107 CG LYS A 7 74.701 2.396 -14.096 1.00 0.00 C ATOM 108 CD LYS A 7 75.552 3.258 -15.033 1.00 0.00 C ATOM 109 CE LYS A 7 75.407 2.749 -16.468 1.00 0.00 C ATOM 110 NZ LYS A 7 75.307 3.909 -17.399 1.00 0.00 N ATOM 0 H LYS A 7 71.320 0.951 -13.086 1.00 0.00 H new ATOM 0 HA LYS A 7 72.999 3.337 -12.456 1.00 0.00 H new ATOM 0 HB2 LYS A 7 72.866 1.675 -14.982 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.092 3.407 -15.127 1.00 0.00 H new ATOM 0 HG2 LYS A 7 74.870 2.691 -13.060 1.00 0.00 H new ATOM 0 HG3 LYS A 7 74.994 1.349 -14.182 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.237 4.300 -14.972 1.00 0.00 H new ATOM 0 HD3 LYS A 7 76.598 3.223 -14.727 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.263 2.129 -16.733 1.00 0.00 H new ATOM 0 HE3 LYS A 7 74.520 2.122 -16.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.208 3.563 -18.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 74.477 4.484 -17.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 76.166 4.490 -17.323 1.00 0.00 H new ATOM 124 N GLN A 8 69.982 2.957 -13.350 1.00 0.00 N ATOM 125 CA GLN A 8 68.719 3.683 -13.659 1.00 0.00 C ATOM 126 C GLN A 8 68.734 5.047 -12.966 1.00 0.00 C ATOM 127 O GLN A 8 68.196 6.015 -13.465 1.00 0.00 O ATOM 128 CB GLN A 8 67.524 2.870 -13.157 1.00 0.00 C ATOM 129 CG GLN A 8 67.022 1.955 -14.274 1.00 0.00 C ATOM 130 CD GLN A 8 65.709 2.505 -14.834 1.00 0.00 C ATOM 131 OE1 GLN A 8 65.079 3.345 -14.222 1.00 0.00 O ATOM 132 NE2 GLN A 8 65.266 2.062 -15.979 1.00 0.00 N ATOM 0 H GLN A 8 69.864 1.999 -13.021 1.00 0.00 H new ATOM 0 HA GLN A 8 68.635 3.822 -14.737 1.00 0.00 H new ATOM 0 HB2 GLN A 8 67.813 2.277 -12.289 1.00 0.00 H new ATOM 0 HB3 GLN A 8 66.726 3.539 -12.834 1.00 0.00 H new ATOM 0 HG2 GLN A 8 67.768 1.888 -15.066 1.00 0.00 H new ATOM 0 HG3 GLN A 8 66.872 0.945 -13.891 1.00 0.00 H new ATOM 0 HE21 GLN A 8 65.795 1.357 -16.492 1.00 0.00 H new ATOM 0 HE22 GLN A 8 64.391 2.421 -16.361 1.00 0.00 H new ATOM 141 N LYS A 9 69.350 5.131 -11.819 1.00 0.00 N ATOM 142 CA LYS A 9 69.402 6.431 -11.094 1.00 0.00 C ATOM 143 C LYS A 9 70.074 6.231 -9.734 1.00 0.00 C ATOM 144 O LYS A 9 69.738 6.882 -8.764 1.00 0.00 O ATOM 145 CB LYS A 9 67.980 6.956 -10.888 1.00 0.00 C ATOM 146 CG LYS A 9 67.966 8.476 -11.064 1.00 0.00 C ATOM 147 CD LYS A 9 66.598 9.026 -10.655 1.00 0.00 C ATOM 148 CE LYS A 9 65.500 8.277 -11.412 1.00 0.00 C ATOM 149 NZ LYS A 9 64.168 8.818 -11.018 1.00 0.00 N ATOM 0 H LYS A 9 69.820 4.355 -11.353 1.00 0.00 H new ATOM 0 HA LYS A 9 69.975 7.151 -11.679 1.00 0.00 H new ATOM 0 HB2 LYS A 9 67.302 6.490 -11.603 1.00 0.00 H new ATOM 0 HB3 LYS A 9 67.624 6.691 -9.892 1.00 0.00 H new ATOM 0 HG2 LYS A 9 68.749 8.930 -10.456 1.00 0.00 H new ATOM 0 HG3 LYS A 9 68.178 8.734 -12.102 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.455 8.913 -9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 9 66.543 10.092 -10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 9 65.645 8.386 -12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 9 65.552 7.211 -11.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 63.421 8.309 -11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 64.031 8.692 -9.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 64.121 9.830 -11.252 1.00 0.00 H new ATOM 163 N VAL A 10 71.020 5.334 -9.654 1.00 0.00 N ATOM 164 CA VAL A 10 71.709 5.093 -8.360 1.00 0.00 C ATOM 165 C VAL A 10 72.804 6.140 -8.161 1.00 0.00 C ATOM 166 O VAL A 10 72.707 7.004 -7.313 1.00 0.00 O ATOM 167 CB VAL A 10 72.333 3.696 -8.366 1.00 0.00 C ATOM 168 CG1 VAL A 10 72.914 3.390 -6.986 1.00 0.00 C ATOM 169 CG2 VAL A 10 71.258 2.660 -8.707 1.00 0.00 C ATOM 0 H VAL A 10 71.344 4.759 -10.432 1.00 0.00 H new ATOM 0 HA VAL A 10 70.987 5.165 -7.546 1.00 0.00 H new ATOM 0 HB VAL A 10 73.128 3.656 -9.111 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.358 2.395 -6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.678 4.128 -6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 10 72.120 3.429 -6.240 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.701 1.664 -8.712 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.464 2.701 -7.961 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.843 2.877 -9.691 1.00 0.00 H new ATOM 179 N ILE A 11 73.847 6.064 -8.936 1.00 0.00 N ATOM 180 CA ILE A 11 74.955 7.048 -8.800 1.00 0.00 C ATOM 181 C ILE A 11 74.474 8.411 -9.264 1.00 0.00 C ATOM 182 O ILE A 11 74.710 9.425 -8.642 1.00 0.00 O ATOM 183 CB ILE A 11 76.161 6.596 -9.636 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.129 7.145 -11.077 1.00 0.00 C ATOM 185 CG2 ILE A 11 76.206 5.070 -9.679 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.154 6.340 -11.928 1.00 0.00 C ATOM 0 H ILE A 11 73.981 5.360 -9.661 1.00 0.00 H new ATOM 0 HA ILE A 11 75.261 7.112 -7.756 1.00 0.00 H new ATOM 0 HB ILE A 11 77.054 6.997 -9.156 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.833 8.194 -11.067 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.127 7.099 -11.513 1.00 0.00 H new ATOM 0 HG21 ILE A 11 77.062 4.748 -10.272 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.300 4.680 -8.665 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.289 4.692 -10.130 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.142 6.739 -12.942 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.468 5.296 -11.952 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.154 6.409 -11.499 1.00 0.00 H new ATOM 198 N GLN A 12 73.805 8.418 -10.365 1.00 0.00 N ATOM 199 CA GLN A 12 73.272 9.695 -10.931 1.00 0.00 C ATOM 200 C GLN A 12 72.784 10.564 -9.776 1.00 0.00 C ATOM 201 O GLN A 12 72.924 11.771 -9.778 1.00 0.00 O ATOM 202 CB GLN A 12 72.107 9.393 -11.876 1.00 0.00 C ATOM 203 CG GLN A 12 72.484 9.805 -13.300 1.00 0.00 C ATOM 204 CD GLN A 12 72.255 11.308 -13.475 1.00 0.00 C ATOM 205 OE1 GLN A 12 72.946 12.112 -12.881 1.00 0.00 O ATOM 206 NE2 GLN A 12 71.308 11.723 -14.270 1.00 0.00 N ATOM 0 H GLN A 12 73.594 7.586 -10.916 1.00 0.00 H new ATOM 0 HA GLN A 12 74.052 10.214 -11.489 1.00 0.00 H new ATOM 0 HB2 GLN A 12 71.866 8.330 -11.845 1.00 0.00 H new ATOM 0 HB3 GLN A 12 71.215 9.931 -11.555 1.00 0.00 H new ATOM 0 HG2 GLN A 12 73.528 9.560 -13.496 1.00 0.00 H new ATOM 0 HG3 GLN A 12 71.885 9.249 -14.021 1.00 0.00 H new ATOM 0 HE21 GLN A 12 70.728 11.048 -14.768 1.00 0.00 H new ATOM 0 HE22 GLN A 12 71.147 12.723 -14.393 1.00 0.00 H new ATOM 215 N GLU A 13 72.244 9.937 -8.770 1.00 0.00 N ATOM 216 CA GLU A 13 71.773 10.686 -7.583 1.00 0.00 C ATOM 217 C GLU A 13 72.924 10.761 -6.578 1.00 0.00 C ATOM 218 O GLU A 13 73.123 11.754 -5.908 1.00 0.00 O ATOM 219 CB GLU A 13 70.583 9.958 -6.950 1.00 0.00 C ATOM 220 CG GLU A 13 69.392 9.996 -7.909 1.00 0.00 C ATOM 221 CD GLU A 13 68.091 9.910 -7.110 1.00 0.00 C ATOM 222 OE1 GLU A 13 67.906 8.921 -6.419 1.00 0.00 O ATOM 223 OE2 GLU A 13 67.300 10.835 -7.201 1.00 0.00 O ATOM 0 H GLU A 13 72.109 8.927 -8.723 1.00 0.00 H new ATOM 0 HA GLU A 13 71.457 11.689 -7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.851 8.925 -6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.317 10.429 -6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 13 69.412 10.915 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 13 69.453 9.168 -8.615 1.00 0.00 H new ATOM 230 N PHE A 14 73.686 9.703 -6.478 1.00 0.00 N ATOM 231 CA PHE A 14 74.828 9.674 -5.537 1.00 0.00 C ATOM 232 C PHE A 14 76.080 10.222 -6.227 1.00 0.00 C ATOM 233 O PHE A 14 76.564 11.287 -5.902 1.00 0.00 O ATOM 234 CB PHE A 14 75.079 8.232 -5.100 1.00 0.00 C ATOM 235 CG PHE A 14 74.027 7.819 -4.098 1.00 0.00 C ATOM 236 CD1 PHE A 14 73.666 8.687 -3.061 1.00 0.00 C ATOM 237 CD2 PHE A 14 73.411 6.566 -4.209 1.00 0.00 C ATOM 238 CE1 PHE A 14 72.690 8.303 -2.135 1.00 0.00 C ATOM 239 CE2 PHE A 14 72.434 6.182 -3.283 1.00 0.00 C ATOM 240 CZ PHE A 14 72.074 7.050 -2.246 1.00 0.00 C ATOM 0 H PHE A 14 73.557 8.848 -7.020 1.00 0.00 H new ATOM 0 HA PHE A 14 74.599 10.290 -4.667 1.00 0.00 H new ATOM 0 HB2 PHE A 14 75.053 7.569 -5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 14 76.072 8.142 -4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 14 74.141 9.653 -2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 14 73.690 5.896 -5.009 1.00 0.00 H new ATOM 0 HE1 PHE A 14 72.412 8.973 -1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 14 71.958 5.216 -3.369 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.321 6.754 -1.531 1.00 0.00 H new ATOM 250 N ALA A 15 76.610 9.498 -7.177 1.00 0.00 N ATOM 251 CA ALA A 15 77.829 9.976 -7.882 1.00 0.00 C ATOM 252 C ALA A 15 77.521 11.278 -8.616 1.00 0.00 C ATOM 253 O ALA A 15 76.589 11.359 -9.389 1.00 0.00 O ATOM 254 CB ALA A 15 78.281 8.927 -8.899 1.00 0.00 C ATOM 0 H ALA A 15 76.250 8.598 -7.493 1.00 0.00 H new ATOM 0 HA ALA A 15 78.619 10.144 -7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.174 9.281 -9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.505 7.993 -8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.486 8.759 -9.626 1.00 0.00 H new ATOM 260 N ARG A 16 78.305 12.295 -8.393 1.00 0.00 N ATOM 261 CA ARG A 16 78.058 13.582 -9.094 1.00 0.00 C ATOM 262 C ARG A 16 78.909 13.622 -10.358 1.00 0.00 C ATOM 263 O ARG A 16 79.315 14.669 -10.821 1.00 0.00 O ATOM 264 CB ARG A 16 78.429 14.752 -8.181 1.00 0.00 C ATOM 265 CG ARG A 16 79.822 14.520 -7.594 1.00 0.00 C ATOM 266 CD ARG A 16 79.704 14.212 -6.100 1.00 0.00 C ATOM 267 NE ARG A 16 79.976 15.448 -5.314 1.00 0.00 N ATOM 268 CZ ARG A 16 81.033 15.517 -4.552 1.00 0.00 C ATOM 269 NH1 ARG A 16 81.350 14.512 -3.784 1.00 0.00 N ATOM 270 NH2 ARG A 16 81.773 16.592 -4.559 1.00 0.00 N ATOM 0 H ARG A 16 79.103 12.290 -7.758 1.00 0.00 H new ATOM 0 HA ARG A 16 77.003 13.664 -9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 16 78.411 15.686 -8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 16 77.697 14.848 -7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 16 80.312 13.693 -8.109 1.00 0.00 H new ATOM 0 HG3 ARG A 16 80.443 15.403 -7.746 1.00 0.00 H new ATOM 0 HD2 ARG A 16 78.706 13.836 -5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 16 80.410 13.429 -5.822 1.00 0.00 H new ATOM 0 HE ARG A 16 79.336 16.240 -5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 16 80.772 13.672 -3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 16 82.176 14.566 -3.188 1.00 0.00 H new ATOM 0 HH21 ARG A 16 81.525 17.378 -5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 16 82.599 16.646 -3.963 1.00 0.00 H new ATOM 284 N PHE A 17 79.185 12.477 -10.912 1.00 0.00 N ATOM 285 CA PHE A 17 80.015 12.422 -12.145 1.00 0.00 C ATOM 286 C PHE A 17 80.020 10.986 -12.669 1.00 0.00 C ATOM 287 O PHE A 17 79.592 10.079 -11.983 1.00 0.00 O ATOM 288 CB PHE A 17 81.445 12.847 -11.803 1.00 0.00 C ATOM 289 CG PHE A 17 81.629 14.314 -12.112 1.00 0.00 C ATOM 290 CD1 PHE A 17 81.127 14.850 -13.303 1.00 0.00 C ATOM 291 CD2 PHE A 17 82.303 15.140 -11.204 1.00 0.00 C ATOM 292 CE1 PHE A 17 81.298 16.210 -13.588 1.00 0.00 C ATOM 293 CE2 PHE A 17 82.475 16.500 -11.488 1.00 0.00 C ATOM 294 CZ PHE A 17 81.973 17.035 -12.680 1.00 0.00 C ATOM 0 H PHE A 17 78.870 11.572 -10.562 1.00 0.00 H new ATOM 0 HA PHE A 17 79.609 13.090 -12.904 1.00 0.00 H new ATOM 0 HB2 PHE A 17 81.648 12.660 -10.749 1.00 0.00 H new ATOM 0 HB3 PHE A 17 82.158 12.253 -12.375 1.00 0.00 H new ATOM 0 HD1 PHE A 17 80.607 14.214 -14.004 1.00 0.00 H new ATOM 0 HD2 PHE A 17 82.690 14.728 -10.284 1.00 0.00 H new ATOM 0 HE1 PHE A 17 80.910 16.622 -14.507 1.00 0.00 H new ATOM 0 HE2 PHE A 17 82.995 17.136 -10.787 1.00 0.00 H new ATOM 0 HZ PHE A 17 82.106 18.084 -12.899 1.00 0.00 H new ATOM 304 N PRO A 18 80.521 10.819 -13.862 1.00 0.00 N ATOM 305 CA PRO A 18 80.614 9.496 -14.496 1.00 0.00 C ATOM 306 C PRO A 18 81.744 8.690 -13.846 1.00 0.00 C ATOM 307 O PRO A 18 82.009 7.562 -14.213 1.00 0.00 O ATOM 308 CB PRO A 18 80.918 9.818 -15.962 1.00 0.00 C ATOM 309 CG PRO A 18 81.517 11.242 -15.978 1.00 0.00 C ATOM 310 CD PRO A 18 81.042 11.929 -14.687 1.00 0.00 C ATOM 0 HA PRO A 18 79.713 8.892 -14.391 1.00 0.00 H new ATOM 0 HB2 PRO A 18 81.619 9.096 -16.381 1.00 0.00 H new ATOM 0 HB3 PRO A 18 80.012 9.770 -16.566 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.606 11.205 -16.020 1.00 0.00 H new ATOM 0 HG3 PRO A 18 81.183 11.794 -16.857 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.860 12.448 -14.187 1.00 0.00 H new ATOM 0 HD3 PRO A 18 80.270 12.671 -14.891 1.00 0.00 H new ATOM 318 N GLY A 19 82.403 9.263 -12.873 1.00 0.00 N ATOM 319 CA GLY A 19 83.503 8.542 -12.182 1.00 0.00 C ATOM 320 C GLY A 19 83.246 8.561 -10.672 1.00 0.00 C ATOM 321 O GLY A 19 83.965 7.952 -9.906 1.00 0.00 O ATOM 0 H GLY A 19 82.222 10.206 -12.528 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.562 7.514 -12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.460 9.013 -12.406 1.00 0.00 H new ATOM 325 N ASP A 20 82.221 9.251 -10.237 1.00 0.00 N ATOM 326 CA ASP A 20 81.925 9.298 -8.780 1.00 0.00 C ATOM 327 C ASP A 20 80.978 8.159 -8.419 1.00 0.00 C ATOM 328 O ASP A 20 80.333 8.163 -7.390 1.00 0.00 O ATOM 329 CB ASP A 20 81.289 10.641 -8.419 1.00 0.00 C ATOM 330 CG ASP A 20 81.659 11.009 -6.981 1.00 0.00 C ATOM 331 OD1 ASP A 20 81.503 10.164 -6.115 1.00 0.00 O ATOM 332 OD2 ASP A 20 82.091 12.131 -6.770 1.00 0.00 O ATOM 0 H ASP A 20 81.581 9.781 -10.829 1.00 0.00 H new ATOM 0 HA ASP A 20 82.853 9.188 -8.219 1.00 0.00 H new ATOM 0 HB2 ASP A 20 81.634 11.415 -9.104 1.00 0.00 H new ATOM 0 HB3 ASP A 20 80.206 10.583 -8.524 1.00 0.00 H new ATOM 337 N THR A 21 80.913 7.180 -9.262 1.00 0.00 N ATOM 338 CA THR A 21 80.032 6.005 -9.001 1.00 0.00 C ATOM 339 C THR A 21 80.827 4.960 -8.223 1.00 0.00 C ATOM 340 O THR A 21 80.273 4.115 -7.547 1.00 0.00 O ATOM 341 CB THR A 21 79.560 5.404 -10.328 1.00 0.00 C ATOM 342 OG1 THR A 21 79.148 4.061 -10.116 1.00 0.00 O ATOM 343 CG2 THR A 21 80.704 5.432 -11.341 1.00 0.00 C ATOM 0 H THR A 21 81.438 7.136 -10.136 1.00 0.00 H new ATOM 0 HA THR A 21 79.162 6.319 -8.425 1.00 0.00 H new ATOM 0 HB THR A 21 78.723 5.987 -10.713 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.726 3.716 -10.931 1.00 0.00 H new ATOM 0 HG21 THR A 21 80.365 5.004 -12.284 1.00 0.00 H new ATOM 0 HG22 THR A 21 81.021 6.462 -11.503 1.00 0.00 H new ATOM 0 HG23 THR A 21 81.543 4.850 -10.959 1.00 0.00 H new ATOM 351 N GLY A 22 82.125 5.020 -8.306 1.00 0.00 N ATOM 352 CA GLY A 22 82.968 4.044 -7.565 1.00 0.00 C ATOM 353 C GLY A 22 83.519 4.715 -6.305 1.00 0.00 C ATOM 354 O GLY A 22 84.138 4.083 -5.473 1.00 0.00 O ATOM 0 H GLY A 22 82.640 5.706 -8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.380 3.166 -7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.787 3.699 -8.196 1.00 0.00 H new ATOM 358 N SER A 23 83.295 5.995 -6.159 1.00 0.00 N ATOM 359 CA SER A 23 83.805 6.706 -4.952 1.00 0.00 C ATOM 360 C SER A 23 83.409 5.925 -3.697 1.00 0.00 C ATOM 361 O SER A 23 82.757 4.902 -3.772 1.00 0.00 O ATOM 362 CB SER A 23 83.198 8.108 -4.893 1.00 0.00 C ATOM 363 OG SER A 23 84.220 9.049 -4.592 1.00 0.00 O ATOM 0 H SER A 23 82.782 6.576 -6.822 1.00 0.00 H new ATOM 0 HA SER A 23 84.891 6.782 -5.005 1.00 0.00 H new ATOM 0 HB2 SER A 23 82.730 8.355 -5.846 1.00 0.00 H new ATOM 0 HB3 SER A 23 82.417 8.147 -4.134 1.00 0.00 H new ATOM 0 HG SER A 23 83.835 9.949 -4.555 1.00 0.00 H new ATOM 369 N THR A 24 83.797 6.397 -2.544 1.00 0.00 N ATOM 370 CA THR A 24 83.439 5.679 -1.289 1.00 0.00 C ATOM 371 C THR A 24 82.014 6.050 -0.875 1.00 0.00 C ATOM 372 O THR A 24 81.304 5.261 -0.287 1.00 0.00 O ATOM 373 CB THR A 24 84.412 6.076 -0.174 1.00 0.00 C ATOM 374 OG1 THR A 24 85.671 5.461 -0.406 1.00 0.00 O ATOM 375 CG2 THR A 24 83.858 5.617 1.176 1.00 0.00 C ATOM 0 H THR A 24 84.346 7.248 -2.417 1.00 0.00 H new ATOM 0 HA THR A 24 83.500 4.604 -1.459 1.00 0.00 H new ATOM 0 HB THR A 24 84.533 7.159 -0.165 1.00 0.00 H new ATOM 0 HG1 THR A 24 86.295 5.715 0.305 1.00 0.00 H new ATOM 0 HG21 THR A 24 84.551 5.900 1.969 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.892 6.090 1.353 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.736 4.534 1.170 1.00 0.00 H new ATOM 383 N GLU A 25 81.591 7.247 -1.174 1.00 0.00 N ATOM 384 CA GLU A 25 80.215 7.666 -0.797 1.00 0.00 C ATOM 385 C GLU A 25 79.199 6.857 -1.600 1.00 0.00 C ATOM 386 O GLU A 25 78.402 6.119 -1.055 1.00 0.00 O ATOM 387 CB GLU A 25 80.040 9.153 -1.110 1.00 0.00 C ATOM 388 CG GLU A 25 80.563 9.985 0.060 1.00 0.00 C ATOM 389 CD GLU A 25 80.436 11.472 -0.273 1.00 0.00 C ATOM 390 OE1 GLU A 25 79.861 11.783 -1.303 1.00 0.00 O ATOM 391 OE2 GLU A 25 80.918 12.277 0.509 1.00 0.00 O ATOM 0 H GLU A 25 82.141 7.953 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 25 80.058 7.492 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 25 80.579 9.409 -2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.988 9.377 -1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.999 9.755 0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.605 9.734 0.261 1.00 0.00 H new ATOM 398 N VAL A 26 79.220 6.996 -2.894 1.00 0.00 N ATOM 399 CA VAL A 26 78.258 6.246 -3.746 1.00 0.00 C ATOM 400 C VAL A 26 78.320 4.755 -3.412 1.00 0.00 C ATOM 401 O VAL A 26 77.343 4.044 -3.533 1.00 0.00 O ATOM 402 CB VAL A 26 78.614 6.455 -5.218 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.612 5.705 -6.099 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.559 7.950 -5.543 1.00 0.00 C ATOM 0 H VAL A 26 79.866 7.601 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 26 77.249 6.613 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 26 79.618 6.075 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.867 5.855 -7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.647 4.641 -5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.608 6.085 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.812 8.104 -6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.554 8.327 -5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 26 79.272 8.485 -4.915 1.00 0.00 H new ATOM 414 N GLN A 27 79.458 4.269 -2.992 1.00 0.00 N ATOM 415 CA GLN A 27 79.561 2.825 -2.654 1.00 0.00 C ATOM 416 C GLN A 27 78.752 2.547 -1.392 1.00 0.00 C ATOM 417 O GLN A 27 77.917 1.668 -1.364 1.00 0.00 O ATOM 418 CB GLN A 27 81.026 2.448 -2.425 1.00 0.00 C ATOM 419 CG GLN A 27 81.576 1.747 -3.668 1.00 0.00 C ATOM 420 CD GLN A 27 82.294 0.463 -3.254 1.00 0.00 C ATOM 421 OE1 GLN A 27 81.935 -0.615 -3.685 1.00 0.00 O ATOM 422 NE2 GLN A 27 83.302 0.532 -2.428 1.00 0.00 N ATOM 0 H GLN A 27 80.315 4.809 -2.870 1.00 0.00 H new ATOM 0 HA GLN A 27 79.168 2.229 -3.478 1.00 0.00 H new ATOM 0 HB2 GLN A 27 81.612 3.341 -2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 27 81.112 1.793 -1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 27 80.764 1.516 -4.357 1.00 0.00 H new ATOM 0 HG3 GLN A 27 82.264 2.407 -4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 27 83.604 1.437 -2.066 1.00 0.00 H new ATOM 0 HE22 GLN A 27 83.788 -0.319 -2.144 1.00 0.00 H new ATOM 431 N VAL A 28 78.976 3.298 -0.352 1.00 0.00 N ATOM 432 CA VAL A 28 78.194 3.077 0.891 1.00 0.00 C ATOM 433 C VAL A 28 76.723 2.961 0.503 1.00 0.00 C ATOM 434 O VAL A 28 75.958 2.248 1.118 1.00 0.00 O ATOM 435 CB VAL A 28 78.396 4.267 1.831 1.00 0.00 C ATOM 436 CG1 VAL A 28 77.397 4.191 2.987 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.821 4.238 2.388 1.00 0.00 C ATOM 0 H VAL A 28 79.663 4.051 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 28 78.520 2.170 1.400 1.00 0.00 H new ATOM 0 HB VAL A 28 78.236 5.193 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 28 77.546 5.041 3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 28 76.381 4.213 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 28 77.551 3.265 3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.967 5.085 3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.978 3.310 2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 28 80.534 4.298 1.566 1.00 0.00 H new ATOM 447 N ALA A 29 76.324 3.643 -0.536 1.00 0.00 N ATOM 448 CA ALA A 29 74.911 3.551 -0.979 1.00 0.00 C ATOM 449 C ALA A 29 74.678 2.163 -1.565 1.00 0.00 C ATOM 450 O ALA A 29 73.706 1.503 -1.256 1.00 0.00 O ATOM 451 CB ALA A 29 74.629 4.616 -2.040 1.00 0.00 C ATOM 0 H ALA A 29 76.917 4.258 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 29 74.244 3.716 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 29 73.590 4.543 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.811 5.605 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 29 75.285 4.459 -2.896 1.00 0.00 H new ATOM 457 N LEU A 30 75.573 1.703 -2.397 1.00 0.00 N ATOM 458 CA LEU A 30 75.403 0.352 -2.979 1.00 0.00 C ATOM 459 C LEU A 30 75.576 -0.686 -1.864 1.00 0.00 C ATOM 460 O LEU A 30 75.299 -1.856 -2.039 1.00 0.00 O ATOM 461 CB LEU A 30 76.441 0.138 -4.094 1.00 0.00 C ATOM 462 CG LEU A 30 77.741 -0.441 -3.524 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.649 -1.967 -3.488 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.916 -0.023 -4.413 1.00 0.00 C ATOM 0 H LEU A 30 76.409 2.206 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 30 74.409 0.246 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 30 76.037 -0.537 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.647 1.086 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 30 77.894 -0.063 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 30 78.574 -2.378 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.812 -2.266 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.496 -2.346 -4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.842 -0.434 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.761 -0.402 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.983 1.065 -4.440 1.00 0.00 H new ATOM 476 N LEU A 31 76.036 -0.260 -0.714 1.00 0.00 N ATOM 477 CA LEU A 31 76.229 -1.206 0.410 1.00 0.00 C ATOM 478 C LEU A 31 74.848 -1.611 0.936 1.00 0.00 C ATOM 479 O LEU A 31 74.642 -2.708 1.414 1.00 0.00 O ATOM 480 CB LEU A 31 77.052 -0.516 1.519 1.00 0.00 C ATOM 481 CG LEU A 31 76.121 0.121 2.550 1.00 0.00 C ATOM 482 CD1 LEU A 31 75.664 -0.945 3.548 1.00 0.00 C ATOM 483 CD2 LEU A 31 76.852 1.234 3.299 1.00 0.00 C ATOM 0 H LEU A 31 76.285 0.708 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 31 76.768 -2.095 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 31 77.702 -1.244 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 31 77.698 0.246 1.082 1.00 0.00 H new ATOM 0 HG LEU A 31 75.257 0.543 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 31 75.000 -0.493 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 31 75.133 -1.736 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 31 76.533 -1.367 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 31 76.180 1.682 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.721 0.819 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 31 77.177 1.996 2.591 1.00 0.00 H new ATOM 495 N THR A 32 73.908 -0.709 0.854 1.00 0.00 N ATOM 496 CA THR A 32 72.536 -0.997 1.349 1.00 0.00 C ATOM 497 C THR A 32 71.798 -1.881 0.334 1.00 0.00 C ATOM 498 O THR A 32 71.056 -2.769 0.697 1.00 0.00 O ATOM 499 CB THR A 32 71.802 0.347 1.568 1.00 0.00 C ATOM 500 OG1 THR A 32 71.336 0.409 2.908 1.00 0.00 O ATOM 501 CG2 THR A 32 70.608 0.501 0.614 1.00 0.00 C ATOM 0 H THR A 32 74.036 0.224 0.461 1.00 0.00 H new ATOM 0 HA THR A 32 72.572 -1.537 2.295 1.00 0.00 H new ATOM 0 HB THR A 32 72.505 1.155 1.366 1.00 0.00 H new ATOM 0 HG1 THR A 32 70.871 1.259 3.054 1.00 0.00 H new ATOM 0 HG21 THR A 32 70.117 1.457 0.797 1.00 0.00 H new ATOM 0 HG22 THR A 32 70.959 0.465 -0.417 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.899 -0.309 0.784 1.00 0.00 H new ATOM 509 N LEU A 33 71.992 -1.638 -0.932 1.00 0.00 N ATOM 510 CA LEU A 33 71.296 -2.458 -1.964 1.00 0.00 C ATOM 511 C LEU A 33 71.584 -3.942 -1.733 1.00 0.00 C ATOM 512 O LEU A 33 70.696 -4.717 -1.435 1.00 0.00 O ATOM 513 CB LEU A 33 71.789 -2.053 -3.355 1.00 0.00 C ATOM 514 CG LEU A 33 70.724 -1.196 -4.044 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.467 -2.035 -4.281 1.00 0.00 C ATOM 516 CD2 LEU A 33 70.377 -0.001 -3.152 1.00 0.00 C ATOM 0 H LEU A 33 72.602 -0.907 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 33 70.222 -2.287 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.723 -1.496 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 33 71.998 -2.941 -3.951 1.00 0.00 H new ATOM 0 HG LEU A 33 71.108 -0.839 -5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 33 68.709 -1.424 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 33 69.712 -2.887 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.083 -2.392 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.619 0.610 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 33 69.993 -0.359 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.272 0.598 -2.982 1.00 0.00 H new ATOM 528 N ARG A 34 72.815 -4.351 -1.874 1.00 0.00 N ATOM 529 CA ARG A 34 73.152 -5.788 -1.667 1.00 0.00 C ATOM 530 C ARG A 34 72.616 -6.255 -0.310 1.00 0.00 C ATOM 531 O ARG A 34 72.453 -7.434 -0.071 1.00 0.00 O ATOM 532 CB ARG A 34 74.672 -5.968 -1.705 1.00 0.00 C ATOM 533 CG ARG A 34 75.078 -6.588 -3.043 1.00 0.00 C ATOM 534 CD ARG A 34 75.746 -5.524 -3.917 1.00 0.00 C ATOM 535 NE ARG A 34 76.759 -6.168 -4.800 1.00 0.00 N ATOM 536 CZ ARG A 34 76.405 -7.134 -5.605 1.00 0.00 C ATOM 537 NH1 ARG A 34 75.162 -7.246 -5.982 1.00 0.00 N ATOM 538 NH2 ARG A 34 77.297 -7.986 -6.033 1.00 0.00 N ATOM 0 H ARG A 34 73.602 -3.752 -2.124 1.00 0.00 H new ATOM 0 HA ARG A 34 72.695 -6.382 -2.459 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.166 -5.006 -1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 34 74.994 -6.607 -0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 34 75.762 -7.420 -2.878 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.202 -6.992 -3.550 1.00 0.00 H new ATOM 0 HD2 ARG A 34 74.997 -5.011 -4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.222 -4.770 -3.290 1.00 0.00 H new ATOM 0 HE ARG A 34 77.729 -5.854 -4.776 1.00 0.00 H new ATOM 0 HH11 ARG A 34 74.466 -6.579 -5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 34 74.886 -8.000 -6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 34 78.270 -7.897 -5.739 1.00 0.00 H new ATOM 0 HH22 ARG A 34 77.021 -8.741 -6.662 1.00 0.00 H new ATOM 552 N ILE A 35 72.341 -5.339 0.578 1.00 0.00 N ATOM 553 CA ILE A 35 71.819 -5.720 1.909 1.00 0.00 C ATOM 554 C ILE A 35 70.362 -6.171 1.760 1.00 0.00 C ATOM 555 O ILE A 35 69.978 -7.238 2.193 1.00 0.00 O ATOM 556 CB ILE A 35 71.926 -4.487 2.826 1.00 0.00 C ATOM 557 CG1 ILE A 35 72.997 -4.736 3.886 1.00 0.00 C ATOM 558 CG2 ILE A 35 70.595 -4.184 3.514 1.00 0.00 C ATOM 559 CD1 ILE A 35 74.096 -3.688 3.734 1.00 0.00 C ATOM 0 H ILE A 35 72.459 -4.336 0.432 1.00 0.00 H new ATOM 0 HA ILE A 35 72.388 -6.543 2.342 1.00 0.00 H new ATOM 0 HB ILE A 35 72.194 -3.628 2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 35 72.560 -4.682 4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 35 73.413 -5.737 3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 35 70.707 -3.308 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 35 69.832 -3.988 2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 35 70.296 -5.039 4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 35 74.866 -3.857 4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 35 74.537 -3.765 2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.671 -2.693 3.867 1.00 0.00 H new ATOM 571 N ASN A 36 69.553 -5.343 1.163 1.00 0.00 N ATOM 572 CA ASN A 36 68.115 -5.686 0.986 1.00 0.00 C ATOM 573 C ASN A 36 67.973 -6.950 0.133 1.00 0.00 C ATOM 574 O ASN A 36 67.115 -7.776 0.376 1.00 0.00 O ATOM 575 CB ASN A 36 67.397 -4.525 0.296 1.00 0.00 C ATOM 576 CG ASN A 36 67.699 -3.223 1.040 1.00 0.00 C ATOM 577 OD1 ASN A 36 67.930 -3.231 2.232 1.00 0.00 O ATOM 578 ND2 ASN A 36 67.707 -2.096 0.381 1.00 0.00 N ATOM 0 H ASN A 36 69.828 -4.436 0.787 1.00 0.00 H new ATOM 0 HA ASN A 36 67.671 -5.867 1.965 1.00 0.00 H new ATOM 0 HB2 ASN A 36 67.723 -4.447 -0.741 1.00 0.00 H new ATOM 0 HB3 ASN A 36 66.322 -4.706 0.280 1.00 0.00 H new ATOM 0 HD21 ASN A 36 67.907 -1.222 0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 36 67.513 -2.089 -0.620 1.00 0.00 H new ATOM 585 N ARG A 37 68.796 -7.110 -0.871 1.00 0.00 N ATOM 586 CA ARG A 37 68.684 -8.320 -1.729 1.00 0.00 C ATOM 587 C ARG A 37 69.427 -9.489 -1.094 1.00 0.00 C ATOM 588 O ARG A 37 69.610 -10.532 -1.690 1.00 0.00 O ATOM 589 CB ARG A 37 69.267 -8.029 -3.110 1.00 0.00 C ATOM 590 CG ARG A 37 68.194 -7.391 -3.996 1.00 0.00 C ATOM 591 CD ARG A 37 68.493 -5.901 -4.167 1.00 0.00 C ATOM 592 NE ARG A 37 68.889 -5.633 -5.578 1.00 0.00 N ATOM 593 CZ ARG A 37 70.127 -5.808 -5.954 1.00 0.00 C ATOM 594 NH1 ARG A 37 71.031 -4.913 -5.662 1.00 0.00 N ATOM 595 NH2 ARG A 37 70.461 -6.879 -6.620 1.00 0.00 N ATOM 0 H ARG A 37 69.536 -6.457 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 37 67.631 -8.584 -1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 37 70.124 -7.361 -3.021 1.00 0.00 H new ATOM 0 HB3 ARG A 37 69.628 -8.951 -3.565 1.00 0.00 H new ATOM 0 HG2 ARG A 37 68.171 -7.882 -4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 37 67.210 -7.526 -3.548 1.00 0.00 H new ATOM 0 HD2 ARG A 37 67.615 -5.311 -3.906 1.00 0.00 H new ATOM 0 HD3 ARG A 37 69.292 -5.599 -3.490 1.00 0.00 H new ATOM 0 HE ARG A 37 68.192 -5.313 -6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 37 70.770 -4.076 -5.140 1.00 0.00 H new ATOM 0 HH12 ARG A 37 71.998 -5.050 -5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 37 69.755 -7.579 -6.847 1.00 0.00 H new ATOM 0 HH22 ARG A 37 71.428 -7.016 -6.914 1.00 0.00 H new ATOM 609 N LEU A 38 69.841 -9.317 0.116 1.00 0.00 N ATOM 610 CA LEU A 38 70.564 -10.396 0.832 1.00 0.00 C ATOM 611 C LEU A 38 69.559 -11.246 1.612 1.00 0.00 C ATOM 612 O LEU A 38 69.630 -12.458 1.626 1.00 0.00 O ATOM 613 CB LEU A 38 71.572 -9.778 1.804 1.00 0.00 C ATOM 614 CG LEU A 38 72.571 -10.846 2.251 1.00 0.00 C ATOM 615 CD1 LEU A 38 73.361 -11.346 1.040 1.00 0.00 C ATOM 616 CD2 LEU A 38 73.536 -10.242 3.274 1.00 0.00 C ATOM 0 H LEU A 38 69.709 -8.460 0.654 1.00 0.00 H new ATOM 0 HA LEU A 38 71.092 -11.022 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 38 72.097 -8.952 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.053 -9.366 2.669 1.00 0.00 H new ATOM 0 HG LEU A 38 72.034 -11.680 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.073 -12.107 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 38 72.675 -11.774 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 38 73.899 -10.513 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 38 74.249 -11.002 3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 38 74.073 -9.409 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 38 72.974 -9.885 4.137 1.00 0.00 H new ATOM 628 N SER A 39 68.625 -10.609 2.266 1.00 0.00 N ATOM 629 CA SER A 39 67.613 -11.362 3.057 1.00 0.00 C ATOM 630 C SER A 39 66.732 -12.193 2.121 1.00 0.00 C ATOM 631 O SER A 39 66.368 -13.311 2.426 1.00 0.00 O ATOM 632 CB SER A 39 66.743 -10.371 3.831 1.00 0.00 C ATOM 633 OG SER A 39 65.705 -11.079 4.499 1.00 0.00 O ATOM 0 H SER A 39 68.520 -9.595 2.286 1.00 0.00 H new ATOM 0 HA SER A 39 68.121 -12.030 3.753 1.00 0.00 H new ATOM 0 HB2 SER A 39 67.349 -9.824 4.553 1.00 0.00 H new ATOM 0 HB3 SER A 39 66.317 -9.634 3.150 1.00 0.00 H new ATOM 0 HG SER A 39 65.146 -10.447 4.998 1.00 0.00 H new ATOM 639 N GLU A 40 66.377 -11.654 0.985 1.00 0.00 N ATOM 640 CA GLU A 40 65.514 -12.412 0.042 1.00 0.00 C ATOM 641 C GLU A 40 66.378 -13.222 -0.914 1.00 0.00 C ATOM 642 O GLU A 40 65.949 -13.633 -1.974 1.00 0.00 O ATOM 643 CB GLU A 40 64.656 -11.439 -0.755 1.00 0.00 C ATOM 644 CG GLU A 40 63.184 -11.627 -0.382 1.00 0.00 C ATOM 645 CD GLU A 40 62.974 -11.229 1.081 1.00 0.00 C ATOM 646 OE1 GLU A 40 63.478 -10.189 1.469 1.00 0.00 O ATOM 647 OE2 GLU A 40 62.311 -11.972 1.786 1.00 0.00 O ATOM 0 H GLU A 40 66.649 -10.722 0.672 1.00 0.00 H new ATOM 0 HA GLU A 40 64.873 -13.088 0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 40 64.965 -10.414 -0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 40 64.795 -11.607 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 40 62.553 -11.019 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 40 62.889 -12.665 -0.534 1.00 0.00 H new ATOM 654 N HIS A 41 67.590 -13.449 -0.538 1.00 0.00 N ATOM 655 CA HIS A 41 68.514 -14.232 -1.397 1.00 0.00 C ATOM 656 C HIS A 41 68.407 -15.715 -1.044 1.00 0.00 C ATOM 657 O HIS A 41 68.222 -16.557 -1.899 1.00 0.00 O ATOM 658 CB HIS A 41 69.950 -13.754 -1.172 1.00 0.00 C ATOM 659 CG HIS A 41 70.504 -13.208 -2.460 1.00 0.00 C ATOM 660 ND1 HIS A 41 69.895 -12.648 -3.555 1.00 0.00 N flip ATOM 661 CD2 HIS A 41 71.862 -13.199 -2.735 1.00 0.00 C flip ATOM 662 CE1 HIS A 41 70.858 -12.297 -4.497 1.00 0.00 C flip ATOM 663 NE2 HIS A 41 72.025 -12.650 -3.953 1.00 0.00 N flip ATOM 0 H HIS A 41 67.993 -13.123 0.341 1.00 0.00 H new ATOM 0 HA HIS A 41 68.245 -14.089 -2.443 1.00 0.00 H new ATOM 0 HB2 HIS A 41 69.972 -12.985 -0.399 1.00 0.00 H new ATOM 0 HB3 HIS A 41 70.568 -14.579 -0.819 1.00 0.00 H new ATOM 0 HD2 HIS A 41 72.647 -13.566 -2.090 1.00 0.00 H new ATOM 0 HE1 HIS A 41 70.696 -11.838 -5.461 1.00 0.00 H new ATOM 0 HE2 HIS A 41 72.930 -12.520 -4.405 1.00 0.00 H new ATOM 671 N LEU A 42 68.527 -16.037 0.211 1.00 0.00 N ATOM 672 CA LEU A 42 68.440 -17.457 0.636 1.00 0.00 C ATOM 673 C LEU A 42 66.972 -17.890 0.692 1.00 0.00 C ATOM 674 O LEU A 42 66.665 -19.043 0.924 1.00 0.00 O ATOM 675 CB LEU A 42 69.063 -17.598 2.022 1.00 0.00 C ATOM 676 CG LEU A 42 70.587 -17.632 1.896 1.00 0.00 C ATOM 677 CD1 LEU A 42 71.217 -17.043 3.159 1.00 0.00 C ATOM 678 CD2 LEU A 42 71.051 -19.081 1.725 1.00 0.00 C ATOM 0 H LEU A 42 68.683 -15.370 0.967 1.00 0.00 H new ATOM 0 HA LEU A 42 68.972 -18.086 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.758 -16.765 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 42 68.707 -18.510 2.501 1.00 0.00 H new ATOM 0 HG LEU A 42 70.893 -17.046 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 42 72.303 -17.067 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.886 -16.012 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 42 70.911 -17.629 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 42 72.137 -19.107 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 42 70.745 -19.666 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 42 70.602 -19.503 0.826 1.00 0.00 H new ATOM 690 N LYS A 43 66.061 -16.976 0.480 1.00 0.00 N ATOM 691 CA LYS A 43 64.615 -17.334 0.520 1.00 0.00 C ATOM 692 C LYS A 43 64.170 -17.855 -0.844 1.00 0.00 C ATOM 693 O LYS A 43 62.998 -17.903 -1.163 1.00 0.00 O ATOM 694 CB LYS A 43 63.795 -16.102 0.884 1.00 0.00 C ATOM 695 CG LYS A 43 63.236 -16.257 2.300 1.00 0.00 C ATOM 696 CD LYS A 43 61.827 -15.663 2.361 1.00 0.00 C ATOM 697 CE LYS A 43 61.668 -14.851 3.648 1.00 0.00 C ATOM 698 NZ LYS A 43 60.770 -15.579 4.588 1.00 0.00 N ATOM 0 H LYS A 43 66.258 -15.995 0.281 1.00 0.00 H new ATOM 0 HA LYS A 43 64.460 -18.111 1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 43 64.416 -15.208 0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 43 62.980 -15.972 0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 43 63.210 -17.310 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 43 63.886 -15.753 3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 43 61.652 -15.027 1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 43 61.084 -16.460 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 43 62.642 -14.689 4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 43 61.255 -13.868 3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 60.662 -15.027 5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 59.838 -15.712 4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 61.182 -16.507 4.813 1.00 0.00 H new ATOM 712 N VAL A 44 65.109 -18.245 -1.635 1.00 0.00 N ATOM 713 CA VAL A 44 64.814 -18.778 -2.987 1.00 0.00 C ATOM 714 C VAL A 44 66.026 -19.587 -3.453 1.00 0.00 C ATOM 715 O VAL A 44 65.899 -20.627 -4.069 1.00 0.00 O ATOM 716 CB VAL A 44 64.566 -17.614 -3.945 1.00 0.00 C ATOM 717 CG1 VAL A 44 64.657 -18.104 -5.392 1.00 0.00 C ATOM 718 CG2 VAL A 44 63.173 -17.034 -3.691 1.00 0.00 C ATOM 0 H VAL A 44 66.101 -18.218 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 44 63.927 -19.412 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 44 65.320 -16.844 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 44 64.479 -17.270 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 44 65.650 -18.516 -5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 44 63.907 -18.876 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 44 62.995 -16.203 -4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 44 62.422 -17.806 -3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 44 63.109 -16.678 -2.663 1.00 0.00 H new ATOM 728 N HIS A 45 67.202 -19.111 -3.146 1.00 0.00 N ATOM 729 CA HIS A 45 68.442 -19.831 -3.542 1.00 0.00 C ATOM 730 C HIS A 45 68.372 -21.281 -3.056 1.00 0.00 C ATOM 731 O HIS A 45 67.339 -21.755 -2.628 1.00 0.00 O ATOM 732 CB HIS A 45 69.641 -19.132 -2.896 1.00 0.00 C ATOM 733 CG HIS A 45 70.172 -18.079 -3.829 1.00 0.00 C ATOM 734 ND1 HIS A 45 71.316 -17.350 -3.545 1.00 0.00 N ATOM 735 CD2 HIS A 45 69.726 -17.619 -5.043 1.00 0.00 C ATOM 736 CE1 HIS A 45 71.518 -16.499 -4.568 1.00 0.00 C ATOM 737 NE2 HIS A 45 70.577 -16.621 -5.508 1.00 0.00 N ATOM 0 H HIS A 45 67.356 -18.244 -2.632 1.00 0.00 H new ATOM 0 HA HIS A 45 68.546 -19.824 -4.627 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.345 -18.679 -1.950 1.00 0.00 H new ATOM 0 HB3 HIS A 45 70.421 -19.859 -2.670 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.848 -17.977 -5.559 1.00 0.00 H new ATOM 0 HE1 HIS A 45 72.341 -15.802 -4.622 1.00 0.00 H new ATOM 0 HE2 HIS A 45 70.499 -16.096 -6.379 1.00 0.00 H new ATOM 745 N LYS A 46 69.467 -21.989 -3.119 1.00 0.00 N ATOM 746 CA LYS A 46 69.466 -23.406 -2.661 1.00 0.00 C ATOM 747 C LYS A 46 70.843 -24.022 -2.915 1.00 0.00 C ATOM 748 O LYS A 46 71.118 -24.532 -3.985 1.00 0.00 O ATOM 749 CB LYS A 46 68.404 -24.191 -3.433 1.00 0.00 C ATOM 750 CG LYS A 46 68.353 -23.696 -4.880 1.00 0.00 C ATOM 751 CD LYS A 46 67.714 -24.768 -5.765 1.00 0.00 C ATOM 752 CE LYS A 46 66.262 -24.389 -6.059 1.00 0.00 C ATOM 753 NZ LYS A 46 65.532 -25.581 -6.575 1.00 0.00 N ATOM 0 H LYS A 46 70.362 -21.646 -3.468 1.00 0.00 H new ATOM 0 HA LYS A 46 69.241 -23.445 -1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 46 68.636 -25.256 -3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 46 67.430 -24.066 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 46 67.779 -22.771 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.359 -23.470 -5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 46 68.271 -24.865 -6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 46 67.754 -25.737 -5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 46 65.781 -24.019 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 46 66.227 -23.582 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 64.544 -25.324 -6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 65.987 -25.915 -7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 65.555 -26.338 -5.862 1.00 0.00 H new ATOM 767 N LYS A 47 71.712 -23.979 -1.943 1.00 0.00 N ATOM 768 CA LYS A 47 73.071 -24.559 -2.132 1.00 0.00 C ATOM 769 C LYS A 47 73.782 -23.829 -3.273 1.00 0.00 C ATOM 770 O LYS A 47 74.789 -24.282 -3.781 1.00 0.00 O ATOM 771 CB LYS A 47 72.949 -26.046 -2.472 1.00 0.00 C ATOM 772 CG LYS A 47 72.572 -26.830 -1.214 1.00 0.00 C ATOM 773 CD LYS A 47 73.844 -27.251 -0.473 1.00 0.00 C ATOM 774 CE LYS A 47 73.477 -28.180 0.685 1.00 0.00 C ATOM 775 NZ LYS A 47 72.878 -27.381 1.792 1.00 0.00 N ATOM 0 H LYS A 47 71.540 -23.567 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 47 73.647 -24.444 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 47 72.194 -26.192 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 47 73.892 -26.416 -2.875 1.00 0.00 H new ATOM 0 HG2 LYS A 47 71.946 -26.217 -0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 47 71.987 -27.710 -1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 47 74.525 -27.757 -1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 47 74.366 -26.371 -0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 47 72.772 -28.939 0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 47 74.364 -28.705 1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 72.691 -28.001 2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 73.539 -26.629 2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 71.986 -26.955 1.469 1.00 0.00 H new ATOM 789 N ASP A 48 73.264 -22.703 -3.682 1.00 0.00 N ATOM 790 CA ASP A 48 73.907 -21.945 -4.791 1.00 0.00 C ATOM 791 C ASP A 48 75.356 -21.626 -4.419 1.00 0.00 C ATOM 792 O ASP A 48 76.279 -21.968 -5.132 1.00 0.00 O ATOM 793 CB ASP A 48 73.142 -20.641 -5.027 1.00 0.00 C ATOM 794 CG ASP A 48 72.440 -20.699 -6.385 1.00 0.00 C ATOM 795 OD1 ASP A 48 72.944 -21.379 -7.262 1.00 0.00 O ATOM 796 OD2 ASP A 48 71.408 -20.061 -6.523 1.00 0.00 O ATOM 0 H ASP A 48 72.423 -22.275 -3.295 1.00 0.00 H new ATOM 0 HA ASP A 48 73.890 -22.547 -5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 48 72.410 -20.488 -4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 48 73.828 -19.794 -4.996 1.00 0.00 H new ATOM 801 N HIS A 49 75.565 -20.972 -3.310 1.00 0.00 N ATOM 802 CA HIS A 49 76.956 -20.631 -2.897 1.00 0.00 C ATOM 803 C HIS A 49 77.545 -19.621 -3.884 1.00 0.00 C ATOM 804 O HIS A 49 78.323 -19.967 -4.750 1.00 0.00 O ATOM 805 CB HIS A 49 77.811 -21.899 -2.892 1.00 0.00 C ATOM 806 CG HIS A 49 79.129 -21.612 -2.226 1.00 0.00 C ATOM 807 ND1 HIS A 49 80.339 -21.770 -2.884 1.00 0.00 N ATOM 808 CD2 HIS A 49 79.444 -21.178 -0.962 1.00 0.00 C ATOM 809 CE1 HIS A 49 81.316 -21.436 -2.021 1.00 0.00 C ATOM 810 NE2 HIS A 49 80.825 -21.067 -0.835 1.00 0.00 N ATOM 0 H HIS A 49 74.833 -20.659 -2.672 1.00 0.00 H new ATOM 0 HA HIS A 49 76.944 -20.198 -1.897 1.00 0.00 H new ATOM 0 HB2 HIS A 49 77.291 -22.699 -2.364 1.00 0.00 H new ATOM 0 HB3 HIS A 49 77.975 -22.244 -3.913 1.00 0.00 H new ATOM 0 HD2 HIS A 49 78.728 -20.956 -0.184 1.00 0.00 H new ATOM 0 HE1 HIS A 49 82.369 -21.463 -2.259 1.00 0.00 H new ATOM 0 HE2 HIS A 49 81.350 -20.768 -0.013 1.00 0.00 H new ATOM 818 N HIS A 50 77.179 -18.374 -3.761 1.00 0.00 N ATOM 819 CA HIS A 50 77.718 -17.345 -4.694 1.00 0.00 C ATOM 820 C HIS A 50 77.713 -15.988 -4.007 1.00 0.00 C ATOM 821 O HIS A 50 77.703 -14.948 -4.636 1.00 0.00 O ATOM 822 CB HIS A 50 76.840 -17.280 -5.935 1.00 0.00 C ATOM 823 CG HIS A 50 77.698 -17.361 -7.167 1.00 0.00 C ATOM 824 ND1 HIS A 50 77.221 -17.863 -8.369 1.00 0.00 N ATOM 825 CD2 HIS A 50 79.004 -17.008 -7.401 1.00 0.00 C ATOM 826 CE1 HIS A 50 78.225 -17.797 -9.262 1.00 0.00 C ATOM 827 NE2 HIS A 50 79.334 -17.284 -8.724 1.00 0.00 N ATOM 0 H HIS A 50 76.531 -18.024 -3.055 1.00 0.00 H new ATOM 0 HA HIS A 50 78.737 -17.609 -4.978 1.00 0.00 H new ATOM 0 HB2 HIS A 50 76.121 -18.099 -5.927 1.00 0.00 H new ATOM 0 HB3 HIS A 50 76.267 -16.353 -5.939 1.00 0.00 H new ATOM 0 HD2 HIS A 50 79.674 -16.581 -6.669 1.00 0.00 H new ATOM 0 HE1 HIS A 50 78.144 -18.120 -10.289 1.00 0.00 H new ATOM 0 HE2 HIS A 50 80.231 -17.128 -9.184 1.00 0.00 H new ATOM 835 N SER A 51 77.725 -16.006 -2.719 1.00 0.00 N ATOM 836 CA SER A 51 77.723 -14.735 -1.944 1.00 0.00 C ATOM 837 C SER A 51 77.814 -15.047 -0.448 1.00 0.00 C ATOM 838 O SER A 51 77.552 -16.152 -0.018 1.00 0.00 O ATOM 839 CB SER A 51 76.434 -13.964 -2.229 1.00 0.00 C ATOM 840 OG SER A 51 76.741 -12.800 -2.985 1.00 0.00 O ATOM 0 H SER A 51 77.736 -16.855 -2.153 1.00 0.00 H new ATOM 0 HA SER A 51 78.580 -14.129 -2.240 1.00 0.00 H new ATOM 0 HB2 SER A 51 75.734 -14.594 -2.778 1.00 0.00 H new ATOM 0 HB3 SER A 51 75.948 -13.687 -1.294 1.00 0.00 H new ATOM 0 HG SER A 51 77.179 -13.060 -3.822 1.00 0.00 H new ATOM 846 N HIS A 52 78.184 -14.079 0.346 1.00 0.00 N ATOM 847 CA HIS A 52 78.292 -14.318 1.812 1.00 0.00 C ATOM 848 C HIS A 52 79.092 -13.183 2.455 1.00 0.00 C ATOM 849 O HIS A 52 78.949 -12.898 3.628 1.00 0.00 O ATOM 850 CB HIS A 52 79.004 -15.649 2.062 1.00 0.00 C ATOM 851 CG HIS A 52 78.033 -16.633 2.655 1.00 0.00 C ATOM 852 ND1 HIS A 52 76.691 -16.546 2.929 1.00 0.00 N flip ATOM 853 CD2 HIS A 52 78.417 -17.906 3.047 1.00 0.00 C flip ATOM 854 CE1 HIS A 52 76.246 -17.743 3.481 1.00 0.00 C flip ATOM 855 NE2 HIS A 52 77.326 -18.527 3.531 1.00 0.00 N flip ATOM 0 H HIS A 52 78.416 -13.133 0.042 1.00 0.00 H new ATOM 0 HA HIS A 52 77.294 -14.353 2.249 1.00 0.00 H new ATOM 0 HB2 HIS A 52 79.408 -16.039 1.128 1.00 0.00 H new ATOM 0 HB3 HIS A 52 79.847 -15.502 2.737 1.00 0.00 H new ATOM 0 HD2 HIS A 52 79.411 -18.323 2.977 1.00 0.00 H new ATOM 0 HE1 HIS A 52 75.243 -17.986 3.800 1.00 0.00 H new ATOM 0 HE2 HIS A 52 77.324 -19.481 3.892 1.00 0.00 H new ATOM 863 N ARG A 53 79.933 -12.534 1.698 1.00 0.00 N ATOM 864 CA ARG A 53 80.738 -11.420 2.265 1.00 0.00 C ATOM 865 C ARG A 53 79.817 -10.246 2.602 1.00 0.00 C ATOM 866 O ARG A 53 80.164 -9.373 3.372 1.00 0.00 O ATOM 867 CB ARG A 53 81.783 -10.974 1.240 1.00 0.00 C ATOM 868 CG ARG A 53 82.540 -12.196 0.719 1.00 0.00 C ATOM 869 CD ARG A 53 83.967 -11.792 0.345 1.00 0.00 C ATOM 870 NE ARG A 53 84.364 -12.480 -0.916 1.00 0.00 N ATOM 871 CZ ARG A 53 85.623 -12.559 -1.248 1.00 0.00 C ATOM 872 NH1 ARG A 53 86.453 -11.618 -0.888 1.00 0.00 N ATOM 873 NH2 ARG A 53 86.053 -13.579 -1.941 1.00 0.00 N ATOM 0 H ARG A 53 80.096 -12.729 0.710 1.00 0.00 H new ATOM 0 HA ARG A 53 81.240 -11.758 3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 53 81.299 -10.454 0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 53 82.478 -10.270 1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 53 82.559 -12.976 1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 53 82.029 -12.610 -0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 53 84.029 -10.711 0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 53 84.654 -12.058 1.149 1.00 0.00 H new ATOM 0 HE ARG A 53 83.651 -12.889 -1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 53 86.117 -10.821 -0.347 1.00 0.00 H new ATOM 0 HH12 ARG A 53 87.438 -11.680 -1.148 1.00 0.00 H new ATOM 0 HH21 ARG A 53 85.404 -14.314 -2.223 1.00 0.00 H new ATOM 0 HH22 ARG A 53 87.038 -13.641 -2.201 1.00 0.00 H new ATOM 887 N GLY A 54 78.644 -10.218 2.030 1.00 0.00 N ATOM 888 CA GLY A 54 77.700 -9.100 2.316 1.00 0.00 C ATOM 889 C GLY A 54 76.731 -9.518 3.425 1.00 0.00 C ATOM 890 O GLY A 54 75.788 -8.817 3.733 1.00 0.00 O ATOM 0 H GLY A 54 78.298 -10.921 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 54 78.254 -8.211 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 54 77.146 -8.839 1.414 1.00 0.00 H new ATOM 894 N LEU A 55 76.955 -10.656 4.025 1.00 0.00 N ATOM 895 CA LEU A 55 76.049 -11.119 5.113 1.00 0.00 C ATOM 896 C LEU A 55 75.985 -10.059 6.213 1.00 0.00 C ATOM 897 O LEU A 55 76.305 -8.907 6.000 1.00 0.00 O ATOM 898 CB LEU A 55 76.581 -12.429 5.696 1.00 0.00 C ATOM 899 CG LEU A 55 75.521 -13.521 5.549 1.00 0.00 C ATOM 900 CD1 LEU A 55 74.285 -13.147 6.369 1.00 0.00 C ATOM 901 CD2 LEU A 55 75.130 -13.655 4.075 1.00 0.00 C ATOM 0 H LEU A 55 77.728 -11.285 3.808 1.00 0.00 H new ATOM 0 HA LEU A 55 75.050 -11.280 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 55 77.495 -12.724 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 55 76.836 -12.294 6.747 1.00 0.00 H new ATOM 0 HG LEU A 55 75.923 -14.468 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 55 73.529 -13.926 6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 55 74.561 -13.048 7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 55 73.883 -12.200 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 55 74.374 -14.433 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 55 74.728 -12.707 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 55 76.009 -13.920 3.488 1.00 0.00 H new ATOM 913 N LEU A 56 75.573 -10.444 7.389 1.00 0.00 N ATOM 914 CA LEU A 56 75.484 -9.470 8.510 1.00 0.00 C ATOM 915 C LEU A 56 76.715 -8.565 8.506 1.00 0.00 C ATOM 916 O LEU A 56 76.669 -7.431 8.939 1.00 0.00 O ATOM 917 CB LEU A 56 75.416 -10.232 9.831 1.00 0.00 C ATOM 918 CG LEU A 56 73.956 -10.503 10.192 1.00 0.00 C ATOM 919 CD1 LEU A 56 73.845 -11.860 10.888 1.00 0.00 C ATOM 920 CD2 LEU A 56 73.451 -9.406 11.133 1.00 0.00 C ATOM 0 H LEU A 56 75.293 -11.397 7.622 1.00 0.00 H new ATOM 0 HA LEU A 56 74.590 -8.858 8.391 1.00 0.00 H new ATOM 0 HB2 LEU A 56 75.961 -11.172 9.749 1.00 0.00 H new ATOM 0 HB3 LEU A 56 75.895 -9.654 10.621 1.00 0.00 H new ATOM 0 HG LEU A 56 73.353 -10.510 9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 56 72.804 -12.053 11.145 1.00 0.00 H new ATOM 0 HD12 LEU A 56 74.204 -12.642 10.219 1.00 0.00 H new ATOM 0 HD13 LEU A 56 74.448 -11.854 11.796 1.00 0.00 H new ATOM 0 HD21 LEU A 56 72.410 -9.599 11.391 1.00 0.00 H new ATOM 0 HD22 LEU A 56 74.054 -9.399 12.041 1.00 0.00 H new ATOM 0 HD23 LEU A 56 73.529 -8.438 10.638 1.00 0.00 H new ATOM 932 N MET A 57 77.813 -9.060 8.018 1.00 0.00 N ATOM 933 CA MET A 57 79.053 -8.236 7.980 1.00 0.00 C ATOM 934 C MET A 57 78.758 -6.903 7.288 1.00 0.00 C ATOM 935 O MET A 57 78.952 -5.844 7.850 1.00 0.00 O ATOM 936 CB MET A 57 80.139 -8.984 7.203 1.00 0.00 C ATOM 937 CG MET A 57 80.784 -10.033 8.109 1.00 0.00 C ATOM 938 SD MET A 57 81.892 -9.215 9.284 1.00 0.00 S ATOM 939 CE MET A 57 83.286 -8.979 8.155 1.00 0.00 C ATOM 0 H MET A 57 77.908 -10.003 7.642 1.00 0.00 H new ATOM 0 HA MET A 57 79.397 -8.050 8.997 1.00 0.00 H new ATOM 0 HB2 MET A 57 79.708 -9.463 6.324 1.00 0.00 H new ATOM 0 HB3 MET A 57 80.894 -8.283 6.846 1.00 0.00 H new ATOM 0 HG2 MET A 57 80.015 -10.589 8.645 1.00 0.00 H new ATOM 0 HG3 MET A 57 81.340 -10.754 7.510 1.00 0.00 H new ATOM 0 HE1 MET A 57 84.142 -9.555 8.508 1.00 0.00 H new ATOM 0 HE2 MET A 57 83.007 -9.318 7.157 1.00 0.00 H new ATOM 0 HE3 MET A 57 83.550 -7.922 8.119 1.00 0.00 H new ATOM 949 N MET A 58 78.292 -6.948 6.070 1.00 0.00 N ATOM 950 CA MET A 58 77.987 -5.687 5.342 1.00 0.00 C ATOM 951 C MET A 58 76.913 -4.905 6.102 1.00 0.00 C ATOM 952 O MET A 58 76.905 -3.690 6.109 1.00 0.00 O ATOM 953 CB MET A 58 77.474 -6.020 3.938 1.00 0.00 C ATOM 954 CG MET A 58 78.505 -5.574 2.899 1.00 0.00 C ATOM 955 SD MET A 58 77.990 -6.138 1.259 1.00 0.00 S ATOM 956 CE MET A 58 76.244 -5.686 1.400 1.00 0.00 C ATOM 0 H MET A 58 78.110 -7.805 5.548 1.00 0.00 H new ATOM 0 HA MET A 58 78.892 -5.084 5.267 1.00 0.00 H new ATOM 0 HB2 MET A 58 77.293 -7.091 3.850 1.00 0.00 H new ATOM 0 HB3 MET A 58 76.522 -5.520 3.759 1.00 0.00 H new ATOM 0 HG2 MET A 58 78.601 -4.488 2.909 1.00 0.00 H new ATOM 0 HG3 MET A 58 79.485 -5.983 3.145 1.00 0.00 H new ATOM 0 HE1 MET A 58 75.870 -5.370 0.426 1.00 0.00 H new ATOM 0 HE2 MET A 58 75.672 -6.547 1.747 1.00 0.00 H new ATOM 0 HE3 MET A 58 76.136 -4.868 2.112 1.00 0.00 H new ATOM 966 N VAL A 59 76.007 -5.592 6.743 1.00 0.00 N ATOM 967 CA VAL A 59 74.936 -4.891 7.500 1.00 0.00 C ATOM 968 C VAL A 59 75.550 -4.160 8.697 1.00 0.00 C ATOM 969 O VAL A 59 75.003 -3.196 9.195 1.00 0.00 O ATOM 970 CB VAL A 59 73.911 -5.911 7.998 1.00 0.00 C ATOM 971 CG1 VAL A 59 72.765 -5.181 8.703 1.00 0.00 C ATOM 972 CG2 VAL A 59 73.356 -6.699 6.809 1.00 0.00 C ATOM 0 H VAL A 59 75.964 -6.611 6.774 1.00 0.00 H new ATOM 0 HA VAL A 59 74.444 -4.170 6.847 1.00 0.00 H new ATOM 0 HB VAL A 59 74.391 -6.596 8.697 1.00 0.00 H new ATOM 0 HG11 VAL A 59 72.034 -5.908 9.058 1.00 0.00 H new ATOM 0 HG12 VAL A 59 73.158 -4.619 9.550 1.00 0.00 H new ATOM 0 HG13 VAL A 59 72.285 -4.496 8.004 1.00 0.00 H new ATOM 0 HG21 VAL A 59 72.625 -7.426 7.164 1.00 0.00 H new ATOM 0 HG22 VAL A 59 72.876 -6.014 6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 59 74.171 -7.219 6.305 1.00 0.00 H new ATOM 982 N GLY A 60 76.683 -4.612 9.161 1.00 0.00 N ATOM 983 CA GLY A 60 77.330 -3.945 10.326 1.00 0.00 C ATOM 984 C GLY A 60 78.112 -2.721 9.847 1.00 0.00 C ATOM 985 O GLY A 60 78.790 -2.068 10.616 1.00 0.00 O ATOM 0 H GLY A 60 77.188 -5.414 8.784 1.00 0.00 H new ATOM 0 HA2 GLY A 60 76.574 -3.645 11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 60 77.999 -4.642 10.831 1.00 0.00 H new ATOM 989 N GLN A 61 78.026 -2.405 8.585 1.00 0.00 N ATOM 990 CA GLN A 61 78.766 -1.228 8.061 1.00 0.00 C ATOM 991 C GLN A 61 77.879 0.005 8.132 1.00 0.00 C ATOM 992 O GLN A 61 78.091 0.987 7.449 1.00 0.00 O ATOM 993 CB GLN A 61 79.162 -1.483 6.613 1.00 0.00 C ATOM 994 CG GLN A 61 80.687 -1.538 6.497 1.00 0.00 C ATOM 995 CD GLN A 61 81.148 -2.995 6.523 1.00 0.00 C ATOM 996 OE1 GLN A 61 80.388 -3.880 6.863 1.00 0.00 O ATOM 997 NE2 GLN A 61 82.372 -3.285 6.173 1.00 0.00 N ATOM 0 H GLN A 61 77.474 -2.913 7.894 1.00 0.00 H new ATOM 0 HA GLN A 61 79.661 -1.066 8.662 1.00 0.00 H new ATOM 0 HB2 GLN A 61 78.727 -2.421 6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 61 78.767 -0.693 5.974 1.00 0.00 H new ATOM 0 HG2 GLN A 61 81.009 -1.060 5.572 1.00 0.00 H new ATOM 0 HG3 GLN A 61 81.145 -0.986 7.318 1.00 0.00 H new ATOM 0 HE21 GLN A 61 83.010 -2.542 5.887 1.00 0.00 H new ATOM 0 HE22 GLN A 61 82.690 -4.254 6.185 1.00 0.00 H new ATOM 1006 N ARG A 62 76.887 -0.049 8.955 1.00 0.00 N ATOM 1007 CA ARG A 62 75.959 1.107 9.098 1.00 0.00 C ATOM 1008 C ARG A 62 75.833 1.495 10.576 1.00 0.00 C ATOM 1009 O ARG A 62 75.333 2.552 10.907 1.00 0.00 O ATOM 1010 CB ARG A 62 74.581 0.727 8.553 1.00 0.00 C ATOM 1011 CG ARG A 62 74.271 1.575 7.319 1.00 0.00 C ATOM 1012 CD ARG A 62 72.954 1.107 6.697 1.00 0.00 C ATOM 1013 NE ARG A 62 73.014 -0.363 6.458 1.00 0.00 N ATOM 1014 CZ ARG A 62 72.008 -1.120 6.798 1.00 0.00 C ATOM 1015 NH1 ARG A 62 71.889 -1.533 8.030 1.00 0.00 N ATOM 1016 NH2 ARG A 62 71.121 -1.465 5.906 1.00 0.00 N ATOM 0 H ARG A 62 76.669 -0.851 9.546 1.00 0.00 H new ATOM 0 HA ARG A 62 76.354 1.954 8.536 1.00 0.00 H new ATOM 0 HB2 ARG A 62 74.559 -0.332 8.295 1.00 0.00 H new ATOM 0 HB3 ARG A 62 73.820 0.885 9.317 1.00 0.00 H new ATOM 0 HG2 ARG A 62 74.201 2.627 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 62 75.079 1.489 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 62 72.122 1.345 7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 62 72.775 1.632 5.759 1.00 0.00 H new ATOM 0 HE ARG A 62 73.842 -0.777 6.029 1.00 0.00 H new ATOM 0 HH11 ARG A 62 72.583 -1.264 8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 62 71.102 -2.125 8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 62 71.214 -1.143 4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 62 70.334 -2.057 6.172 1.00 0.00 H new ATOM 1030 N ARG A 63 76.281 0.653 11.466 1.00 0.00 N ATOM 1031 CA ARG A 63 76.185 0.978 12.914 1.00 0.00 C ATOM 1032 C ARG A 63 77.041 2.209 13.218 1.00 0.00 C ATOM 1033 O ARG A 63 76.960 2.787 14.283 1.00 0.00 O ATOM 1034 CB ARG A 63 76.685 -0.210 13.738 1.00 0.00 C ATOM 1035 CG ARG A 63 75.632 -1.320 13.726 1.00 0.00 C ATOM 1036 CD ARG A 63 75.899 -2.289 14.879 1.00 0.00 C ATOM 1037 NE ARG A 63 75.550 -1.633 16.169 1.00 0.00 N ATOM 1038 CZ ARG A 63 75.394 -2.353 17.247 1.00 0.00 C ATOM 1039 NH1 ARG A 63 74.620 -3.403 17.223 1.00 0.00 N ATOM 1040 NH2 ARG A 63 76.014 -2.023 18.347 1.00 0.00 N ATOM 0 H ARG A 63 76.710 -0.247 11.251 1.00 0.00 H new ATOM 0 HA ARG A 63 75.147 1.186 13.172 1.00 0.00 H new ATOM 0 HB2 ARG A 63 77.624 -0.581 13.328 1.00 0.00 H new ATOM 0 HB3 ARG A 63 76.886 0.104 14.762 1.00 0.00 H new ATOM 0 HG2 ARG A 63 74.635 -0.891 13.821 1.00 0.00 H new ATOM 0 HG3 ARG A 63 75.660 -1.853 12.775 1.00 0.00 H new ATOM 0 HD2 ARG A 63 75.310 -3.197 14.749 1.00 0.00 H new ATOM 0 HD3 ARG A 63 76.947 -2.587 14.882 1.00 0.00 H new ATOM 0 HE ARG A 63 75.433 -0.621 16.211 1.00 0.00 H new ATOM 0 HH11 ARG A 63 74.137 -3.661 16.362 1.00 0.00 H new ATOM 0 HH12 ARG A 63 74.498 -3.966 18.065 1.00 0.00 H new ATOM 0 HH21 ARG A 63 76.620 -1.203 18.364 1.00 0.00 H new ATOM 0 HH22 ARG A 63 75.892 -2.585 19.189 1.00 0.00 H new ATOM 1054 N ARG A 64 77.860 2.614 12.287 1.00 0.00 N ATOM 1055 CA ARG A 64 78.721 3.805 12.516 1.00 0.00 C ATOM 1056 C ARG A 64 79.482 4.132 11.230 1.00 0.00 C ATOM 1057 O ARG A 64 80.626 4.538 11.259 1.00 0.00 O ATOM 1058 CB ARG A 64 79.717 3.510 13.641 1.00 0.00 C ATOM 1059 CG ARG A 64 80.658 2.382 13.209 1.00 0.00 C ATOM 1060 CD ARG A 64 81.157 1.632 14.446 1.00 0.00 C ATOM 1061 NE ARG A 64 80.781 0.193 14.340 1.00 0.00 N ATOM 1062 CZ ARG A 64 81.666 -0.687 13.961 1.00 0.00 C ATOM 1063 NH1 ARG A 64 81.989 -0.788 12.700 1.00 0.00 N ATOM 1064 NH2 ARG A 64 82.229 -1.467 14.842 1.00 0.00 N ATOM 0 H ARG A 64 77.969 2.169 11.376 1.00 0.00 H new ATOM 0 HA ARG A 64 78.100 4.655 12.799 1.00 0.00 H new ATOM 0 HB2 ARG A 64 80.291 4.406 13.877 1.00 0.00 H new ATOM 0 HB3 ARG A 64 79.183 3.225 14.548 1.00 0.00 H new ATOM 0 HG2 ARG A 64 80.138 1.696 12.540 1.00 0.00 H new ATOM 0 HG3 ARG A 64 81.502 2.791 12.653 1.00 0.00 H new ATOM 0 HD2 ARG A 64 82.239 1.731 14.532 1.00 0.00 H new ATOM 0 HD3 ARG A 64 80.724 2.067 15.347 1.00 0.00 H new ATOM 0 HE ARG A 64 79.831 -0.103 14.564 1.00 0.00 H new ATOM 0 HH11 ARG A 64 81.549 -0.178 12.010 1.00 0.00 H new ATOM 0 HH12 ARG A 64 82.681 -1.476 12.404 1.00 0.00 H new ATOM 0 HH21 ARG A 64 81.977 -1.389 15.827 1.00 0.00 H new ATOM 0 HH22 ARG A 64 82.921 -2.155 14.546 1.00 0.00 H new ATOM 1078 N LEU A 65 78.853 3.956 10.099 1.00 0.00 N ATOM 1079 CA LEU A 65 79.536 4.253 8.810 1.00 0.00 C ATOM 1080 C LEU A 65 80.060 5.689 8.827 1.00 0.00 C ATOM 1081 O LEU A 65 80.932 6.051 8.064 1.00 0.00 O ATOM 1082 CB LEU A 65 78.544 4.088 7.658 1.00 0.00 C ATOM 1083 CG LEU A 65 79.241 4.406 6.335 1.00 0.00 C ATOM 1084 CD1 LEU A 65 79.350 3.131 5.496 1.00 0.00 C ATOM 1085 CD2 LEU A 65 78.428 5.452 5.570 1.00 0.00 C ATOM 0 H LEU A 65 77.894 3.619 10.014 1.00 0.00 H new ATOM 0 HA LEU A 65 80.370 3.564 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 65 78.156 3.070 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 65 77.691 4.752 7.801 1.00 0.00 H new ATOM 0 HG LEU A 65 80.239 4.796 6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 65 79.847 3.358 4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 65 79.929 2.385 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 65 78.352 2.741 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 65 78.924 5.680 4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 65 77.430 5.062 5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 65 78.350 6.360 6.167 1.00 0.00 H new ATOM 1097 N LEU A 66 79.532 6.507 9.691 1.00 0.00 N ATOM 1098 CA LEU A 66 79.996 7.920 9.758 1.00 0.00 C ATOM 1099 C LEU A 66 81.494 7.952 10.070 1.00 0.00 C ATOM 1100 O LEU A 66 82.240 8.714 9.489 1.00 0.00 O ATOM 1101 CB LEU A 66 79.229 8.659 10.857 1.00 0.00 C ATOM 1102 CG LEU A 66 79.231 7.822 12.138 1.00 0.00 C ATOM 1103 CD1 LEU A 66 80.208 8.431 13.145 1.00 0.00 C ATOM 1104 CD2 LEU A 66 77.823 7.810 12.739 1.00 0.00 C ATOM 0 H LEU A 66 78.798 6.259 10.355 1.00 0.00 H new ATOM 0 HA LEU A 66 79.815 8.407 8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 66 79.688 9.630 11.044 1.00 0.00 H new ATOM 0 HB3 LEU A 66 78.205 8.847 10.536 1.00 0.00 H new ATOM 0 HG LEU A 66 79.538 6.802 11.905 1.00 0.00 H new ATOM 0 HD11 LEU A 66 80.209 7.835 14.057 1.00 0.00 H new ATOM 0 HD12 LEU A 66 81.211 8.443 12.718 1.00 0.00 H new ATOM 0 HD13 LEU A 66 79.901 9.451 13.379 1.00 0.00 H new ATOM 0 HD21 LEU A 66 77.822 7.214 13.652 1.00 0.00 H new ATOM 0 HD22 LEU A 66 77.518 8.830 12.971 1.00 0.00 H new ATOM 0 HD23 LEU A 66 77.125 7.377 12.022 1.00 0.00 H new ATOM 1116 N ARG A 67 81.937 7.124 10.979 1.00 0.00 N ATOM 1117 CA ARG A 67 83.385 7.101 11.334 1.00 0.00 C ATOM 1118 C ARG A 67 84.223 7.207 10.062 1.00 0.00 C ATOM 1119 O ARG A 67 85.334 7.697 10.075 1.00 0.00 O ATOM 1120 CB ARG A 67 83.711 5.789 12.052 1.00 0.00 C ATOM 1121 CG ARG A 67 85.137 5.847 12.602 1.00 0.00 C ATOM 1122 CD ARG A 67 85.097 5.821 14.130 1.00 0.00 C ATOM 1123 NE ARG A 67 86.372 5.252 14.653 1.00 0.00 N ATOM 1124 CZ ARG A 67 86.485 3.966 14.839 1.00 0.00 C ATOM 1125 NH1 ARG A 67 86.903 3.200 13.869 1.00 0.00 N ATOM 1126 NH2 ARG A 67 86.181 3.445 15.997 1.00 0.00 N ATOM 0 H ARG A 67 81.356 6.461 11.492 1.00 0.00 H new ATOM 0 HA ARG A 67 83.613 7.942 11.989 1.00 0.00 H new ATOM 0 HB2 ARG A 67 83.004 5.621 12.864 1.00 0.00 H new ATOM 0 HB3 ARG A 67 83.610 4.950 11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 67 85.716 5.003 12.229 1.00 0.00 H new ATOM 0 HG3 ARG A 67 85.635 6.753 12.256 1.00 0.00 H new ATOM 0 HD2 ARG A 67 84.951 6.829 14.517 1.00 0.00 H new ATOM 0 HD3 ARG A 67 84.252 5.223 14.472 1.00 0.00 H new ATOM 0 HE ARG A 67 87.156 5.869 14.865 1.00 0.00 H new ATOM 0 HH11 ARG A 67 87.142 3.607 12.965 1.00 0.00 H new ATOM 0 HH12 ARG A 67 86.991 2.194 14.015 1.00 0.00 H new ATOM 0 HH21 ARG A 67 85.855 4.044 16.756 1.00 0.00 H new ATOM 0 HH22 ARG A 67 86.269 2.439 16.143 1.00 0.00 H new ATOM 1140 N TYR A 68 83.696 6.752 8.961 1.00 0.00 N ATOM 1141 CA TYR A 68 84.455 6.825 7.688 1.00 0.00 C ATOM 1142 C TYR A 68 84.188 8.168 7.003 1.00 0.00 C ATOM 1143 O TYR A 68 85.041 9.032 6.952 1.00 0.00 O ATOM 1144 CB TYR A 68 84.016 5.685 6.767 1.00 0.00 C ATOM 1145 CG TYR A 68 85.203 5.191 5.975 1.00 0.00 C ATOM 1146 CD1 TYR A 68 86.414 4.923 6.624 1.00 0.00 C ATOM 1147 CD2 TYR A 68 85.092 5.001 4.593 1.00 0.00 C ATOM 1148 CE1 TYR A 68 87.515 4.465 5.888 1.00 0.00 C ATOM 1149 CE2 TYR A 68 86.192 4.543 3.858 1.00 0.00 C ATOM 1150 CZ TYR A 68 87.404 4.274 4.507 1.00 0.00 C ATOM 1151 OH TYR A 68 88.488 3.824 3.782 1.00 0.00 O ATOM 0 H TYR A 68 82.769 6.332 8.890 1.00 0.00 H new ATOM 0 HA TYR A 68 85.521 6.734 7.898 1.00 0.00 H new ATOM 0 HB2 TYR A 68 83.594 4.870 7.355 1.00 0.00 H new ATOM 0 HB3 TYR A 68 83.233 6.030 6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 68 86.500 5.069 7.691 1.00 0.00 H new ATOM 0 HD2 TYR A 68 84.157 5.208 4.093 1.00 0.00 H new ATOM 0 HE1 TYR A 68 88.450 4.259 6.388 1.00 0.00 H new ATOM 0 HE2 TYR A 68 86.106 4.397 2.791 1.00 0.00 H new ATOM 0 HH TYR A 68 88.240 3.745 2.837 1.00 0.00 H new ATOM 1161 N LEU A 69 83.011 8.343 6.466 1.00 0.00 N ATOM 1162 CA LEU A 69 82.684 9.620 5.772 1.00 0.00 C ATOM 1163 C LEU A 69 82.748 10.795 6.753 1.00 0.00 C ATOM 1164 O LEU A 69 83.462 11.753 6.536 1.00 0.00 O ATOM 1165 CB LEU A 69 81.275 9.527 5.181 1.00 0.00 C ATOM 1166 CG LEU A 69 80.928 10.838 4.475 1.00 0.00 C ATOM 1167 CD1 LEU A 69 80.893 10.610 2.963 1.00 0.00 C ATOM 1168 CD2 LEU A 69 79.556 11.324 4.948 1.00 0.00 C ATOM 0 H LEU A 69 82.260 7.653 6.479 1.00 0.00 H new ATOM 0 HA LEU A 69 83.411 9.787 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 69 81.219 8.697 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 69 80.551 9.325 5.970 1.00 0.00 H new ATOM 0 HG LEU A 69 81.682 11.588 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 69 80.646 11.545 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 69 81.869 10.263 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 69 80.139 9.859 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 69 79.308 12.259 4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 69 78.802 10.573 4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 69 79.579 11.487 6.026 1.00 0.00 H new ATOM 1180 N GLN A 70 82.001 10.741 7.822 1.00 0.00 N ATOM 1181 CA GLN A 70 82.024 11.872 8.795 1.00 0.00 C ATOM 1182 C GLN A 70 83.478 12.235 9.123 1.00 0.00 C ATOM 1183 O GLN A 70 83.783 13.349 9.503 1.00 0.00 O ATOM 1184 CB GLN A 70 81.275 11.468 10.078 1.00 0.00 C ATOM 1185 CG GLN A 70 82.212 10.732 11.044 1.00 0.00 C ATOM 1186 CD GLN A 70 82.662 11.690 12.148 1.00 0.00 C ATOM 1187 OE1 GLN A 70 83.931 11.785 12.436 1.00 0.00 O flip ATOM 1188 NE2 GLN A 70 81.850 12.358 12.756 1.00 0.00 N flip ATOM 0 H GLN A 70 81.380 9.969 8.063 1.00 0.00 H new ATOM 0 HA GLN A 70 81.530 12.740 8.358 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.869 12.356 10.563 1.00 0.00 H new ATOM 0 HB3 GLN A 70 80.430 10.828 9.825 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.701 9.873 11.479 1.00 0.00 H new ATOM 0 HG3 GLN A 70 83.078 10.348 10.505 1.00 0.00 H new ATOM 0 HE21 GLN A 70 80.858 12.284 12.531 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.160 12.993 13.491 1.00 0.00 H new ATOM 1197 N ARG A 71 84.373 11.295 8.987 1.00 0.00 N ATOM 1198 CA ARG A 71 85.803 11.564 9.298 1.00 0.00 C ATOM 1199 C ARG A 71 86.444 12.378 8.171 1.00 0.00 C ATOM 1200 O ARG A 71 87.224 13.279 8.411 1.00 0.00 O ATOM 1201 CB ARG A 71 86.548 10.238 9.452 1.00 0.00 C ATOM 1202 CG ARG A 71 86.827 9.979 10.933 1.00 0.00 C ATOM 1203 CD ARG A 71 87.509 8.619 11.089 1.00 0.00 C ATOM 1204 NE ARG A 71 88.862 8.808 11.683 1.00 0.00 N ATOM 1205 CZ ARG A 71 89.035 8.674 12.969 1.00 0.00 C ATOM 1206 NH1 ARG A 71 89.145 7.484 13.492 1.00 0.00 N ATOM 1207 NH2 ARG A 71 89.097 9.731 13.733 1.00 0.00 N ATOM 0 H ARG A 71 84.172 10.346 8.671 1.00 0.00 H new ATOM 0 HA ARG A 71 85.863 12.132 10.226 1.00 0.00 H new ATOM 0 HB2 ARG A 71 85.954 9.424 9.035 1.00 0.00 H new ATOM 0 HB3 ARG A 71 87.484 10.268 8.894 1.00 0.00 H new ATOM 0 HG2 ARG A 71 87.463 10.766 11.338 1.00 0.00 H new ATOM 0 HG3 ARG A 71 85.896 9.999 11.499 1.00 0.00 H new ATOM 0 HD2 ARG A 71 86.908 7.970 11.726 1.00 0.00 H new ATOM 0 HD3 ARG A 71 87.591 8.128 10.119 1.00 0.00 H new ATOM 0 HE ARG A 71 89.654 9.042 11.084 1.00 0.00 H new ATOM 0 HH11 ARG A 71 89.096 6.658 12.895 1.00 0.00 H new ATOM 0 HH12 ARG A 71 89.280 7.379 14.498 1.00 0.00 H new ATOM 0 HH21 ARG A 71 89.010 10.661 13.324 1.00 0.00 H new ATOM 0 HH22 ARG A 71 89.232 9.626 14.739 1.00 0.00 H new ATOM 1221 N GLU A 72 86.127 12.068 6.942 1.00 0.00 N ATOM 1222 CA GLU A 72 86.724 12.823 5.806 1.00 0.00 C ATOM 1223 C GLU A 72 85.879 14.051 5.495 1.00 0.00 C ATOM 1224 O GLU A 72 85.959 14.633 4.430 1.00 0.00 O ATOM 1225 CB GLU A 72 86.778 11.928 4.579 1.00 0.00 C ATOM 1226 CG GLU A 72 87.831 10.840 4.787 1.00 0.00 C ATOM 1227 CD GLU A 72 88.352 10.363 3.431 1.00 0.00 C ATOM 1228 OE1 GLU A 72 87.792 10.772 2.426 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.302 9.598 3.418 1.00 0.00 O ATOM 0 H GLU A 72 85.481 11.325 6.677 1.00 0.00 H new ATOM 0 HA GLU A 72 87.731 13.140 6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 72 85.802 11.475 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.020 12.519 3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.654 11.227 5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.400 10.003 5.337 1.00 0.00 H new ATOM 1236 N ASP A 73 85.077 14.438 6.423 1.00 0.00 N ATOM 1237 CA ASP A 73 84.203 15.626 6.231 1.00 0.00 C ATOM 1238 C ASP A 73 83.131 15.638 7.326 1.00 0.00 C ATOM 1239 O ASP A 73 82.258 14.794 7.335 1.00 0.00 O ATOM 1240 CB ASP A 73 83.528 15.543 4.860 1.00 0.00 C ATOM 1241 CG ASP A 73 84.230 16.494 3.887 1.00 0.00 C ATOM 1242 OD1 ASP A 73 84.481 17.624 4.271 1.00 0.00 O ATOM 1243 OD2 ASP A 73 84.503 16.075 2.775 1.00 0.00 O ATOM 0 H ASP A 73 84.981 13.979 7.329 1.00 0.00 H new ATOM 0 HA ASP A 73 84.799 16.537 6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 73 83.572 14.521 4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 73 82.474 15.806 4.945 1.00 0.00 H new ATOM 1248 N PRO A 74 83.224 16.592 8.218 1.00 0.00 N ATOM 1249 CA PRO A 74 82.264 16.725 9.325 1.00 0.00 C ATOM 1250 C PRO A 74 80.951 17.299 8.800 1.00 0.00 C ATOM 1251 O PRO A 74 79.890 17.042 9.330 1.00 0.00 O ATOM 1252 CB PRO A 74 82.954 17.690 10.293 1.00 0.00 C ATOM 1253 CG PRO A 74 83.988 18.479 9.455 1.00 0.00 C ATOM 1254 CD PRO A 74 84.280 17.626 8.205 1.00 0.00 C ATOM 0 HA PRO A 74 82.013 15.779 9.805 1.00 0.00 H new ATOM 0 HB2 PRO A 74 82.231 18.363 10.753 1.00 0.00 H new ATOM 0 HB3 PRO A 74 83.442 17.147 11.102 1.00 0.00 H new ATOM 0 HG2 PRO A 74 83.596 19.456 9.175 1.00 0.00 H new ATOM 0 HG3 PRO A 74 84.899 18.654 10.027 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.240 18.225 7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.274 17.181 8.250 1.00 0.00 H new ATOM 1262 N GLU A 75 81.020 18.054 7.745 1.00 0.00 N ATOM 1263 CA GLU A 75 79.784 18.628 7.160 1.00 0.00 C ATOM 1264 C GLU A 75 79.098 17.542 6.334 1.00 0.00 C ATOM 1265 O GLU A 75 77.894 17.525 6.182 1.00 0.00 O ATOM 1266 CB GLU A 75 80.140 19.815 6.262 1.00 0.00 C ATOM 1267 CG GLU A 75 81.155 20.709 6.976 1.00 0.00 C ATOM 1268 CD GLU A 75 80.546 21.233 8.278 1.00 0.00 C ATOM 1269 OE1 GLU A 75 79.890 22.260 8.232 1.00 0.00 O ATOM 1270 OE2 GLU A 75 80.747 20.597 9.300 1.00 0.00 O ATOM 0 H GLU A 75 81.884 18.299 7.261 1.00 0.00 H new ATOM 0 HA GLU A 75 79.119 18.976 7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 75 80.553 19.459 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 75 79.243 20.385 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 75 82.065 20.147 7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 75 81.437 21.542 6.333 1.00 0.00 H new ATOM 1277 N ARG A 76 79.867 16.627 5.809 1.00 0.00 N ATOM 1278 CA ARG A 76 79.278 15.529 5.003 1.00 0.00 C ATOM 1279 C ARG A 76 78.577 14.547 5.940 1.00 0.00 C ATOM 1280 O ARG A 76 77.815 13.702 5.513 1.00 0.00 O ATOM 1281 CB ARG A 76 80.384 14.805 4.233 1.00 0.00 C ATOM 1282 CG ARG A 76 80.964 15.743 3.172 1.00 0.00 C ATOM 1283 CD ARG A 76 79.859 16.155 2.197 1.00 0.00 C ATOM 1284 NE ARG A 76 79.406 17.538 2.515 1.00 0.00 N ATOM 1285 CZ ARG A 76 78.521 18.126 1.755 1.00 0.00 C ATOM 1286 NH1 ARG A 76 78.908 18.826 0.724 1.00 0.00 N ATOM 1287 NH2 ARG A 76 77.249 18.013 2.027 1.00 0.00 N ATOM 0 H ARG A 76 80.882 16.596 5.906 1.00 0.00 H new ATOM 0 HA ARG A 76 78.559 15.938 4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 76 81.169 14.484 4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 76 79.986 13.907 3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 76 81.393 16.626 3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 76 81.772 15.246 2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 76 80.228 16.108 1.172 1.00 0.00 H new ATOM 0 HD3 ARG A 76 79.021 15.461 2.266 1.00 0.00 H new ATOM 0 HE ARG A 76 79.787 18.026 3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 76 79.902 18.914 0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 76 78.217 19.285 0.131 1.00 0.00 H new ATOM 0 HH21 ARG A 76 76.946 17.466 2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 76 76.558 18.472 1.434 1.00 0.00 H new ATOM 1301 N TYR A 77 78.824 14.653 7.221 1.00 0.00 N ATOM 1302 CA TYR A 77 78.169 13.731 8.183 1.00 0.00 C ATOM 1303 C TYR A 77 76.804 14.284 8.584 1.00 0.00 C ATOM 1304 O TYR A 77 76.268 13.960 9.625 1.00 0.00 O ATOM 1305 CB TYR A 77 79.032 13.586 9.435 1.00 0.00 C ATOM 1306 CG TYR A 77 78.346 12.666 10.417 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.532 11.624 9.951 1.00 0.00 C ATOM 1308 CD2 TYR A 77 78.523 12.852 11.793 1.00 0.00 C ATOM 1309 CE1 TYR A 77 76.897 10.772 10.863 1.00 0.00 C ATOM 1310 CE2 TYR A 77 77.888 12.000 12.704 1.00 0.00 C ATOM 1311 CZ TYR A 77 77.075 10.960 12.239 1.00 0.00 C ATOM 1312 OH TYR A 77 76.450 10.119 13.136 1.00 0.00 O ATOM 0 H TYR A 77 79.452 15.340 7.638 1.00 0.00 H new ATOM 0 HA TYR A 77 78.047 12.758 7.707 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.011 13.187 9.170 1.00 0.00 H new ATOM 0 HB3 TYR A 77 79.198 14.562 9.890 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.395 11.479 8.890 1.00 0.00 H new ATOM 0 HD2 TYR A 77 79.151 13.654 12.152 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.270 9.969 10.505 1.00 0.00 H new ATOM 0 HE2 TYR A 77 78.025 12.145 13.765 1.00 0.00 H new ATOM 0 HH TYR A 77 76.867 10.213 14.018 1.00 0.00 H new ATOM 1322 N ARG A 78 76.244 15.121 7.765 1.00 0.00 N ATOM 1323 CA ARG A 78 74.922 15.714 8.084 1.00 0.00 C ATOM 1324 C ARG A 78 74.085 15.836 6.811 1.00 0.00 C ATOM 1325 O ARG A 78 73.113 16.561 6.767 1.00 0.00 O ATOM 1326 CB ARG A 78 75.124 17.105 8.690 1.00 0.00 C ATOM 1327 CG ARG A 78 75.904 16.987 9.999 1.00 0.00 C ATOM 1328 CD ARG A 78 77.070 17.976 9.988 1.00 0.00 C ATOM 1329 NE ARG A 78 76.885 18.976 11.077 1.00 0.00 N ATOM 1330 CZ ARG A 78 77.915 19.634 11.537 1.00 0.00 C ATOM 1331 NH1 ARG A 78 78.940 18.988 12.022 1.00 0.00 N ATOM 1332 NH2 ARG A 78 77.919 20.939 11.513 1.00 0.00 N ATOM 0 H ARG A 78 76.649 15.423 6.879 1.00 0.00 H new ATOM 0 HA ARG A 78 74.403 15.071 8.795 1.00 0.00 H new ATOM 0 HB2 ARG A 78 75.664 17.743 7.990 1.00 0.00 H new ATOM 0 HB3 ARG A 78 74.158 17.577 8.872 1.00 0.00 H new ATOM 0 HG2 ARG A 78 75.248 17.191 10.845 1.00 0.00 H new ATOM 0 HG3 ARG A 78 76.277 15.970 10.122 1.00 0.00 H new ATOM 0 HD2 ARG A 78 78.012 17.445 10.124 1.00 0.00 H new ATOM 0 HD3 ARG A 78 77.124 18.480 9.023 1.00 0.00 H new ATOM 0 HE ARG A 78 75.956 19.146 11.462 1.00 0.00 H new ATOM 0 HH11 ARG A 78 78.937 17.968 12.042 1.00 0.00 H new ATOM 0 HH12 ARG A 78 79.744 19.503 12.381 1.00 0.00 H new ATOM 0 HH21 ARG A 78 77.118 21.445 11.135 1.00 0.00 H new ATOM 0 HH22 ARG A 78 78.723 21.453 11.872 1.00 0.00 H new ATOM 1346 N ALA A 79 74.451 15.137 5.772 1.00 0.00 N ATOM 1347 CA ALA A 79 73.669 15.228 4.518 1.00 0.00 C ATOM 1348 C ALA A 79 73.440 13.839 3.946 1.00 0.00 C ATOM 1349 O ALA A 79 72.321 13.381 3.827 1.00 0.00 O ATOM 1350 CB ALA A 79 74.425 16.089 3.509 1.00 0.00 C ATOM 0 H ALA A 79 75.255 14.510 5.742 1.00 0.00 H new ATOM 0 HA ALA A 79 72.702 15.684 4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 79 73.850 16.157 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.570 17.088 3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.395 15.638 3.300 1.00 0.00 H new ATOM 1356 N LEU A 80 74.486 13.157 3.608 1.00 0.00 N ATOM 1357 CA LEU A 80 74.321 11.784 3.063 1.00 0.00 C ATOM 1358 C LEU A 80 73.782 10.884 4.173 1.00 0.00 C ATOM 1359 O LEU A 80 73.406 9.754 3.942 1.00 0.00 O ATOM 1360 CB LEU A 80 75.668 11.253 2.566 1.00 0.00 C ATOM 1361 CG LEU A 80 76.514 12.413 2.038 1.00 0.00 C ATOM 1362 CD1 LEU A 80 77.643 12.714 3.026 1.00 0.00 C ATOM 1363 CD2 LEU A 80 77.113 12.028 0.683 1.00 0.00 C ATOM 0 H LEU A 80 75.449 13.485 3.683 1.00 0.00 H new ATOM 0 HA LEU A 80 73.625 11.798 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.192 10.747 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.511 10.516 1.778 1.00 0.00 H new ATOM 0 HG LEU A 80 75.887 13.297 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 80 78.245 13.541 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 80 77.218 12.986 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 80 78.271 11.830 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 80 77.716 12.853 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.740 11.144 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 80 76.310 11.813 -0.022 1.00 0.00 H new ATOM 1375 N ILE A 81 73.713 11.385 5.376 1.00 0.00 N ATOM 1376 CA ILE A 81 73.167 10.556 6.476 1.00 0.00 C ATOM 1377 C ILE A 81 71.655 10.463 6.253 1.00 0.00 C ATOM 1378 O ILE A 81 71.015 9.477 6.553 1.00 0.00 O ATOM 1379 CB ILE A 81 73.516 11.185 7.851 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.288 11.838 8.494 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.613 12.225 7.703 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.501 10.769 9.246 1.00 0.00 C ATOM 0 H ILE A 81 74.009 12.325 5.639 1.00 0.00 H new ATOM 0 HA ILE A 81 73.603 9.557 6.478 1.00 0.00 H new ATOM 0 HB ILE A 81 73.864 10.378 8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.596 12.630 9.176 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.663 12.300 7.730 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.842 12.653 8.679 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.507 11.755 7.294 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.278 13.014 7.030 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.624 11.221 9.709 1.00 0.00 H new ATOM 0 HD12 ILE A 81 71.184 9.993 8.549 1.00 0.00 H new ATOM 0 HD13 ILE A 81 72.132 10.328 10.018 1.00 0.00 H new ATOM 1394 N GLU A 82 71.086 11.490 5.707 1.00 0.00 N ATOM 1395 CA GLU A 82 69.630 11.471 5.446 1.00 0.00 C ATOM 1396 C GLU A 82 69.356 10.945 4.031 1.00 0.00 C ATOM 1397 O GLU A 82 68.218 10.852 3.613 1.00 0.00 O ATOM 1398 CB GLU A 82 69.068 12.887 5.583 1.00 0.00 C ATOM 1399 CG GLU A 82 67.544 12.845 5.457 1.00 0.00 C ATOM 1400 CD GLU A 82 66.944 14.101 6.089 1.00 0.00 C ATOM 1401 OE1 GLU A 82 67.291 14.393 7.223 1.00 0.00 O ATOM 1402 OE2 GLU A 82 66.149 14.751 5.431 1.00 0.00 O ATOM 0 H GLU A 82 71.568 12.345 5.429 1.00 0.00 H new ATOM 0 HA GLU A 82 69.147 10.814 6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 82 69.352 13.311 6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 82 69.490 13.533 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 82 67.257 12.781 4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 82 67.152 11.955 5.949 1.00 0.00 H new ATOM 1409 N LYS A 83 70.375 10.604 3.279 1.00 0.00 N ATOM 1410 CA LYS A 83 70.127 10.102 1.902 1.00 0.00 C ATOM 1411 C LYS A 83 70.862 8.776 1.658 1.00 0.00 C ATOM 1412 O LYS A 83 71.268 8.485 0.550 1.00 0.00 O ATOM 1413 CB LYS A 83 70.610 11.142 0.889 1.00 0.00 C ATOM 1414 CG LYS A 83 69.665 12.345 0.904 1.00 0.00 C ATOM 1415 CD LYS A 83 70.446 13.611 0.548 1.00 0.00 C ATOM 1416 CE LYS A 83 70.253 14.657 1.648 1.00 0.00 C ATOM 1417 NZ LYS A 83 68.807 14.997 1.762 1.00 0.00 N ATOM 0 H LYS A 83 71.354 10.652 3.560 1.00 0.00 H new ATOM 0 HA LYS A 83 69.057 9.931 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.624 11.459 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 83 70.644 10.705 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 83 68.854 12.193 0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 83 69.209 12.451 1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 83 71.505 13.378 0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 83 70.103 14.006 -0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 83 70.623 14.273 2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 83 70.831 15.552 1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 68.706 15.976 2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 68.354 14.903 0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 68.350 14.350 2.436 1.00 0.00 H new ATOM 1431 N LEU A 84 71.042 7.965 2.670 1.00 0.00 N ATOM 1432 CA LEU A 84 71.752 6.673 2.458 1.00 0.00 C ATOM 1433 C LEU A 84 71.179 5.573 3.357 1.00 0.00 C ATOM 1434 O LEU A 84 70.710 4.555 2.887 1.00 0.00 O ATOM 1435 CB LEU A 84 73.234 6.857 2.775 1.00 0.00 C ATOM 1436 CG LEU A 84 73.785 8.003 1.935 1.00 0.00 C ATOM 1437 CD1 LEU A 84 75.218 8.311 2.373 1.00 0.00 C ATOM 1438 CD2 LEU A 84 73.783 7.600 0.458 1.00 0.00 C ATOM 0 H LEU A 84 70.730 8.142 3.625 1.00 0.00 H new ATOM 0 HA LEU A 84 71.619 6.374 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 84 73.368 7.070 3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 84 73.781 5.938 2.563 1.00 0.00 H new ATOM 0 HG LEU A 84 73.162 8.887 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 84 75.614 9.131 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 84 75.224 8.596 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 84 75.839 7.426 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 84 74.177 8.419 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 84 74.407 6.717 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 84 72.764 7.377 0.143 1.00 0.00 H new ATOM 1450 N GLY A 85 71.238 5.758 4.642 1.00 0.00 N ATOM 1451 CA GLY A 85 70.724 4.713 5.580 1.00 0.00 C ATOM 1452 C GLY A 85 71.704 4.593 6.748 1.00 0.00 C ATOM 1453 O GLY A 85 72.169 3.524 7.089 1.00 0.00 O ATOM 0 H GLY A 85 71.621 6.590 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 85 69.732 4.983 5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 85 70.626 3.757 5.066 1.00 0.00 H new ATOM 1457 N ILE A 86 72.036 5.704 7.331 1.00 0.00 N ATOM 1458 CA ILE A 86 73.001 5.746 8.449 1.00 0.00 C ATOM 1459 C ILE A 86 72.278 5.537 9.789 1.00 0.00 C ATOM 1460 O ILE A 86 72.192 4.431 10.285 1.00 0.00 O ATOM 1461 CB ILE A 86 73.660 7.126 8.384 1.00 0.00 C ATOM 1462 CG1 ILE A 86 74.258 7.540 9.714 1.00 0.00 C ATOM 1463 CG2 ILE A 86 72.622 8.163 7.988 1.00 0.00 C ATOM 1464 CD1 ILE A 86 74.898 6.336 10.407 1.00 0.00 C ATOM 0 H ILE A 86 71.663 6.616 7.066 1.00 0.00 H new ATOM 0 HA ILE A 86 73.746 4.954 8.371 1.00 0.00 H new ATOM 0 HB ILE A 86 74.462 7.066 7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 86 75.005 8.318 9.558 1.00 0.00 H new ATOM 0 HG13 ILE A 86 73.483 7.966 10.352 1.00 0.00 H new ATOM 0 HG21 ILE A 86 73.090 9.146 7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 86 72.210 7.910 7.011 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.821 8.177 8.727 1.00 0.00 H new ATOM 0 HD11 ILE A 86 75.323 6.649 11.361 1.00 0.00 H new ATOM 0 HD12 ILE A 86 74.141 5.571 10.581 1.00 0.00 H new ATOM 0 HD13 ILE A 86 75.687 5.929 9.774 1.00 0.00 H new ATOM 1476 N ARG A 87 71.757 6.576 10.378 1.00 0.00 N ATOM 1477 CA ARG A 87 71.051 6.436 11.660 1.00 0.00 C ATOM 1478 C ARG A 87 69.569 6.206 11.385 1.00 0.00 C ATOM 1479 O ARG A 87 69.185 5.286 10.691 1.00 0.00 O ATOM 1480 CB ARG A 87 71.270 7.713 12.473 1.00 0.00 C ATOM 1481 CG ARG A 87 72.755 7.858 12.811 1.00 0.00 C ATOM 1482 CD ARG A 87 72.903 8.450 14.213 1.00 0.00 C ATOM 1483 NE ARG A 87 73.621 7.481 15.087 1.00 0.00 N ATOM 1484 CZ ARG A 87 74.792 7.787 15.577 1.00 0.00 C ATOM 1485 NH1 ARG A 87 75.838 7.811 14.800 1.00 0.00 N ATOM 1486 NH2 ARG A 87 74.913 8.072 16.845 1.00 0.00 N ATOM 0 H ARG A 87 71.796 7.527 10.012 1.00 0.00 H new ATOM 0 HA ARG A 87 71.431 5.587 12.228 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.929 8.580 11.906 1.00 0.00 H new ATOM 0 HB3 ARG A 87 70.680 7.679 13.389 1.00 0.00 H new ATOM 0 HG2 ARG A 87 73.247 6.887 12.761 1.00 0.00 H new ATOM 0 HG3 ARG A 87 73.244 8.501 12.080 1.00 0.00 H new ATOM 0 HD2 ARG A 87 73.452 9.390 14.166 1.00 0.00 H new ATOM 0 HD3 ARG A 87 71.921 8.675 14.630 1.00 0.00 H new ATOM 0 HE ARG A 87 73.198 6.578 15.303 1.00 0.00 H new ATOM 0 HH11 ARG A 87 75.742 7.591 13.809 1.00 0.00 H new ATOM 0 HH12 ARG A 87 76.753 8.050 15.183 1.00 0.00 H new ATOM 0 HH21 ARG A 87 74.093 8.055 17.452 1.00 0.00 H new ATOM 0 HH22 ARG A 87 75.827 8.311 17.229 1.00 0.00 H new ATOM 1500 N GLY A 88 68.742 7.034 11.923 1.00 0.00 N ATOM 1501 CA GLY A 88 67.275 6.885 11.707 1.00 0.00 C ATOM 1502 C GLY A 88 66.609 6.437 13.009 1.00 0.00 C ATOM 1503 O GLY A 88 65.451 6.057 12.958 1.00 0.00 O ATOM 1504 OXT GLY A 88 67.269 6.481 14.035 1.00 0.00 O ATOM 0 H GLY A 88 69.013 7.821 12.512 1.00 0.00 H new ATOM 0 HA2 GLY A 88 66.848 7.831 11.375 1.00 0.00 H new ATOM 0 HA3 GLY A 88 67.085 6.156 10.920 1.00 0.00 H new