USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 608 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 60 MET CE :methyl -162:sc= -0.0388 (180deg=-0.85) USER MOD Set 1.2: A 84 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 81 MET CE :methyl -149:sc= -1.07 (180deg=-5.07!) USER MOD Set 2.2: A 85 MET CE :methyl -178:sc= -0.194 (180deg=0) USER MOD Set 3.1: A 18 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.3!) USER MOD Set 3.2: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 16 GLN : amide:sc= -0.0695 K(o=-0.069,f=-2.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.306 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0181 USER MOD Single : A 39 LYS NZ :NH3+ 150:sc= -0.241 (180deg=-1.21) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -140:sc= -2.77! (180deg=-4.19!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0749 F(o=-0.86,f=-0.075) USER MOD Single : A 51 ASN : amide:sc= -2.87! C(o=-2.9!,f=-8.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.83! USER MOD Single : A 58 GLN : amide:sc= -0.0743 K(o=-0.074,f=-2.1!) USER MOD Single : A 69 SER OG : rot -52:sc= 0.0172 USER MOD Single : A 71 THR OG1 : rot 19:sc= 0.447 USER MOD Single : A 80 MET CE :methyl -111:sc= -4! (180deg=-5.48!) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 83.507 1.394 3.635 1.00 0.00 N ATOM 45 CA ILE A 4 82.824 0.248 4.301 1.00 0.00 C ATOM 46 C ILE A 4 81.495 -0.056 3.601 1.00 0.00 C ATOM 47 O ILE A 4 81.138 -1.198 3.396 1.00 0.00 O ATOM 48 CB ILE A 4 82.578 0.715 5.736 1.00 0.00 C ATOM 49 CG1 ILE A 4 81.518 1.819 5.737 1.00 0.00 C ATOM 50 CG2 ILE A 4 83.880 1.259 6.326 1.00 0.00 C ATOM 51 CD1 ILE A 4 81.402 2.416 7.140 1.00 0.00 C ATOM 0 HA ILE A 4 83.418 -0.665 4.264 1.00 0.00 H new ATOM 0 HB ILE A 4 82.230 -0.125 6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 4 81.787 2.596 5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 4 80.556 1.414 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 4 83.705 1.592 7.349 1.00 0.00 H new ATOM 0 HG22 ILE A 4 84.636 0.474 6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 4 84.228 2.099 5.726 1.00 0.00 H new ATOM 0 HD11 ILE A 4 80.647 3.202 7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 4 81.113 1.636 7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 4 82.363 2.836 7.437 1.00 0.00 H new ATOM 63 N TYR A 5 80.762 0.960 3.235 1.00 0.00 N ATOM 64 CA TYR A 5 79.458 0.729 2.550 1.00 0.00 C ATOM 65 C TYR A 5 79.667 -0.109 1.286 1.00 0.00 C ATOM 66 O TYR A 5 78.754 -0.738 0.789 1.00 0.00 O ATOM 67 CB TYR A 5 78.948 2.125 2.192 1.00 0.00 C ATOM 68 CG TYR A 5 78.968 2.998 3.423 1.00 0.00 C ATOM 69 CD1 TYR A 5 77.970 2.861 4.394 1.00 0.00 C ATOM 70 CD2 TYR A 5 79.988 3.943 3.595 1.00 0.00 C ATOM 71 CE1 TYR A 5 77.989 3.669 5.538 1.00 0.00 C ATOM 72 CE2 TYR A 5 80.007 4.751 4.738 1.00 0.00 C ATOM 73 CZ TYR A 5 79.008 4.615 5.710 1.00 0.00 C ATOM 74 OH TYR A 5 79.027 5.411 6.836 1.00 0.00 O ATOM 0 H TYR A 5 81.009 1.939 3.380 1.00 0.00 H new ATOM 0 HA TYR A 5 78.751 0.186 3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 5 79.571 2.563 1.412 1.00 0.00 H new ATOM 0 HB3 TYR A 5 77.935 2.063 1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 5 77.184 2.132 4.261 1.00 0.00 H new ATOM 0 HD2 TYR A 5 80.759 4.048 2.846 1.00 0.00 H new ATOM 0 HE1 TYR A 5 77.218 3.563 6.287 1.00 0.00 H new ATOM 0 HE2 TYR A 5 80.793 5.480 4.870 1.00 0.00 H new ATOM 0 HH TYR A 5 79.801 6.011 6.799 1.00 0.00 H new ATOM 84 N LYS A 6 80.862 -0.124 0.762 1.00 0.00 N ATOM 85 CA LYS A 6 81.126 -0.924 -0.468 1.00 0.00 C ATOM 86 C LYS A 6 81.181 -2.416 -0.124 1.00 0.00 C ATOM 87 O LYS A 6 80.674 -3.248 -0.848 1.00 0.00 O ATOM 88 CB LYS A 6 82.486 -0.440 -0.971 1.00 0.00 C ATOM 89 CG LYS A 6 82.286 0.487 -2.174 1.00 0.00 C ATOM 90 CD LYS A 6 83.037 -0.075 -3.383 1.00 0.00 C ATOM 91 CE LYS A 6 84.387 0.632 -3.520 1.00 0.00 C ATOM 92 NZ LYS A 6 84.217 1.564 -4.669 1.00 0.00 N ATOM 0 H LYS A 6 81.666 0.383 1.132 1.00 0.00 H new ATOM 0 HA LYS A 6 80.346 -0.798 -1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 6 83.013 0.087 -0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 6 83.105 -1.291 -1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 6 81.224 0.579 -2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 6 82.650 1.488 -1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 6 83.187 -1.148 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 6 82.447 0.066 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 6 84.645 1.171 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 6 85.190 -0.082 -3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 85.102 2.087 -4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 83.979 1.022 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 83.451 2.236 -4.461 1.00 0.00 H new ATOM 106 N ALA A 7 81.793 -2.757 0.977 1.00 0.00 N ATOM 107 CA ALA A 7 81.878 -4.194 1.368 1.00 0.00 C ATOM 108 C ALA A 7 80.489 -4.725 1.734 1.00 0.00 C ATOM 109 O ALA A 7 80.257 -5.917 1.764 1.00 0.00 O ATOM 110 CB ALA A 7 82.802 -4.219 2.587 1.00 0.00 C ATOM 0 H ALA A 7 82.238 -2.104 1.622 1.00 0.00 H new ATOM 0 HA ALA A 7 82.254 -4.821 0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 7 82.916 -5.245 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 7 83.778 -3.819 2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.371 -3.611 3.382 1.00 0.00 H new ATOM 116 N ALA A 8 79.564 -3.847 2.011 1.00 0.00 N ATOM 117 CA ALA A 8 78.191 -4.300 2.374 1.00 0.00 C ATOM 118 C ALA A 8 77.600 -5.150 1.246 1.00 0.00 C ATOM 119 O ALA A 8 77.051 -6.210 1.477 1.00 0.00 O ATOM 120 CB ALA A 8 77.385 -3.013 2.554 1.00 0.00 C ATOM 0 H ALA A 8 79.699 -2.836 2.002 1.00 0.00 H new ATOM 0 HA ALA A 8 78.183 -4.916 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 8 76.358 -3.261 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 8 77.832 -2.411 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 8 77.389 -2.448 1.622 1.00 0.00 H new ATOM 126 N VAL A 9 77.710 -4.697 0.027 1.00 0.00 N ATOM 127 CA VAL A 9 77.156 -5.481 -1.114 1.00 0.00 C ATOM 128 C VAL A 9 78.091 -6.643 -1.459 1.00 0.00 C ATOM 129 O VAL A 9 77.657 -7.696 -1.882 1.00 0.00 O ATOM 130 CB VAL A 9 77.082 -4.490 -2.278 1.00 0.00 C ATOM 131 CG1 VAL A 9 76.328 -5.129 -3.445 1.00 0.00 C ATOM 132 CG2 VAL A 9 76.345 -3.227 -1.828 1.00 0.00 C ATOM 0 H VAL A 9 78.160 -3.818 -0.228 1.00 0.00 H new ATOM 0 HA VAL A 9 76.182 -5.913 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 9 78.091 -4.229 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 9 76.275 -4.423 -4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 9 76.852 -6.029 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 9 75.319 -5.391 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 9 76.292 -2.521 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 9 75.336 -3.489 -1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 9 76.881 -2.770 -0.996 1.00 0.00 H new ATOM 142 N GLU A 10 79.370 -6.460 -1.282 1.00 0.00 N ATOM 143 CA GLU A 10 80.332 -7.555 -1.601 1.00 0.00 C ATOM 144 C GLU A 10 79.956 -8.827 -0.837 1.00 0.00 C ATOM 145 O GLU A 10 80.055 -9.923 -1.351 1.00 0.00 O ATOM 146 CB GLU A 10 81.693 -7.034 -1.140 1.00 0.00 C ATOM 147 CG GLU A 10 82.585 -6.788 -2.357 1.00 0.00 C ATOM 148 CD GLU A 10 83.148 -5.367 -2.300 1.00 0.00 C ATOM 149 OE1 GLU A 10 84.124 -5.165 -1.597 1.00 0.00 O ATOM 150 OE2 GLU A 10 82.592 -4.504 -2.960 1.00 0.00 O ATOM 0 H GLU A 10 79.792 -5.600 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 10 80.332 -7.810 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.568 -6.110 -0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 10 82.163 -7.755 -0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.399 -7.512 -2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.013 -6.927 -3.274 1.00 0.00 H new ATOM 157 N GLN A 11 79.526 -8.690 0.387 1.00 0.00 N ATOM 158 CA GLN A 11 79.144 -9.892 1.182 1.00 0.00 C ATOM 159 C GLN A 11 77.870 -10.518 0.609 1.00 0.00 C ATOM 160 O GLN A 11 77.745 -11.724 0.521 1.00 0.00 O ATOM 161 CB GLN A 11 78.894 -9.369 2.596 1.00 0.00 C ATOM 162 CG GLN A 11 79.892 -10.009 3.561 1.00 0.00 C ATOM 163 CD GLN A 11 80.200 -9.035 4.699 1.00 0.00 C ATOM 164 OE1 GLN A 11 81.312 -8.566 4.830 1.00 0.00 O ATOM 165 NE2 GLN A 11 79.252 -8.709 5.536 1.00 0.00 N ATOM 0 H GLN A 11 79.423 -7.798 0.871 1.00 0.00 H new ATOM 0 HA GLN A 11 79.915 -10.663 1.164 1.00 0.00 H new ATOM 0 HB2 GLN A 11 78.996 -8.284 2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 11 77.874 -9.599 2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 11 79.482 -10.936 3.963 1.00 0.00 H new ATOM 0 HG3 GLN A 11 80.809 -10.269 3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 11 78.317 -9.103 5.427 1.00 0.00 H new ATOM 0 HE22 GLN A 11 79.446 -8.061 6.299 1.00 0.00 H new ATOM 174 N LEU A 12 76.926 -9.708 0.218 1.00 0.00 N ATOM 175 CA LEU A 12 75.660 -10.255 -0.350 1.00 0.00 C ATOM 176 C LEU A 12 75.968 -11.234 -1.487 1.00 0.00 C ATOM 177 O LEU A 12 76.913 -11.060 -2.230 1.00 0.00 O ATOM 178 CB LEU A 12 74.906 -9.036 -0.880 1.00 0.00 C ATOM 179 CG LEU A 12 74.535 -8.117 0.285 1.00 0.00 C ATOM 180 CD1 LEU A 12 73.721 -6.932 -0.237 1.00 0.00 C ATOM 181 CD2 LEU A 12 73.701 -8.897 1.303 1.00 0.00 C ATOM 0 H LEU A 12 76.975 -8.690 0.267 1.00 0.00 H new ATOM 0 HA LEU A 12 75.078 -10.804 0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 12 75.524 -8.498 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.006 -9.353 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 12 75.444 -7.751 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 12 73.457 -6.278 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 12 74.313 -6.375 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.812 -7.297 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.436 -8.243 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 12 72.792 -9.263 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 12 74.280 -9.742 1.677 1.00 0.00 H new ATOM 193 N THR A 13 75.179 -12.263 -1.626 1.00 0.00 N ATOM 194 CA THR A 13 75.425 -13.252 -2.715 1.00 0.00 C ATOM 195 C THR A 13 74.626 -12.874 -3.965 1.00 0.00 C ATOM 196 O THR A 13 73.863 -11.928 -3.964 1.00 0.00 O ATOM 197 CB THR A 13 74.941 -14.589 -2.151 1.00 0.00 C ATOM 198 OG1 THR A 13 73.999 -14.350 -1.115 1.00 0.00 O ATOM 199 CG2 THR A 13 76.131 -15.371 -1.591 1.00 0.00 C ATOM 0 H THR A 13 74.374 -12.463 -1.033 1.00 0.00 H new ATOM 0 HA THR A 13 76.474 -13.290 -3.010 1.00 0.00 H new ATOM 0 HB THR A 13 74.470 -15.169 -2.945 1.00 0.00 H new ATOM 0 HG1 THR A 13 73.686 -15.206 -0.753 1.00 0.00 H new ATOM 0 HG21 THR A 13 75.784 -16.323 -1.190 1.00 0.00 H new ATOM 0 HG22 THR A 13 76.853 -15.554 -2.387 1.00 0.00 H new ATOM 0 HG23 THR A 13 76.605 -14.794 -0.797 1.00 0.00 H new ATOM 207 N GLU A 14 74.797 -13.603 -5.035 1.00 0.00 N ATOM 208 CA GLU A 14 74.049 -13.282 -6.285 1.00 0.00 C ATOM 209 C GLU A 14 72.572 -13.659 -6.136 1.00 0.00 C ATOM 210 O GLU A 14 71.714 -13.127 -6.811 1.00 0.00 O ATOM 211 CB GLU A 14 74.710 -14.130 -7.371 1.00 0.00 C ATOM 212 CG GLU A 14 74.349 -15.601 -7.160 1.00 0.00 C ATOM 213 CD GLU A 14 75.560 -16.476 -7.485 1.00 0.00 C ATOM 214 OE1 GLU A 14 76.444 -16.565 -6.647 1.00 0.00 O ATOM 215 OE2 GLU A 14 75.586 -17.042 -8.565 1.00 0.00 O ATOM 0 H GLU A 14 75.422 -14.407 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 14 74.081 -12.218 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 14 74.379 -13.801 -8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 14 75.792 -14.002 -7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 14 74.035 -15.765 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 14 73.508 -15.875 -7.797 1.00 0.00 H new ATOM 222 N GLU A 15 72.269 -14.575 -5.257 1.00 0.00 N ATOM 223 CA GLU A 15 70.847 -14.987 -5.068 1.00 0.00 C ATOM 224 C GLU A 15 70.110 -13.968 -4.194 1.00 0.00 C ATOM 225 O GLU A 15 68.900 -13.864 -4.233 1.00 0.00 O ATOM 226 CB GLU A 15 70.918 -16.343 -4.367 1.00 0.00 C ATOM 227 CG GLU A 15 71.345 -16.146 -2.911 1.00 0.00 C ATOM 228 CD GLU A 15 71.634 -17.505 -2.275 1.00 0.00 C ATOM 229 OE1 GLU A 15 70.687 -18.233 -2.022 1.00 0.00 O ATOM 230 OE2 GLU A 15 72.798 -17.798 -2.051 1.00 0.00 O ATOM 0 H GLU A 15 72.943 -15.056 -4.662 1.00 0.00 H new ATOM 0 HA GLU A 15 70.305 -15.044 -6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 15 69.947 -16.836 -4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 15 71.627 -16.992 -4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 15 72.232 -15.515 -2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 15 70.559 -15.633 -2.357 1.00 0.00 H new ATOM 237 N GLN A 16 70.829 -13.218 -3.405 1.00 0.00 N ATOM 238 CA GLN A 16 70.167 -12.208 -2.530 1.00 0.00 C ATOM 239 C GLN A 16 69.878 -10.929 -3.320 1.00 0.00 C ATOM 240 O GLN A 16 68.859 -10.293 -3.139 1.00 0.00 O ATOM 241 CB GLN A 16 71.174 -11.933 -1.414 1.00 0.00 C ATOM 242 CG GLN A 16 70.677 -12.560 -0.110 1.00 0.00 C ATOM 243 CD GLN A 16 69.531 -11.719 0.456 1.00 0.00 C ATOM 244 OE1 GLN A 16 69.157 -10.716 -0.119 1.00 0.00 O ATOM 245 NE2 GLN A 16 68.955 -12.087 1.567 1.00 0.00 N ATOM 0 H GLN A 16 71.845 -13.260 -3.328 1.00 0.00 H new ATOM 0 HA GLN A 16 69.212 -12.561 -2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 16 72.148 -12.344 -1.679 1.00 0.00 H new ATOM 0 HB3 GLN A 16 71.306 -10.859 -1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 16 70.339 -13.580 -0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 16 71.491 -12.617 0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 16 69.269 -12.929 2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 16 68.191 -11.533 1.953 1.00 0.00 H new ATOM 254 N LYS A 17 70.768 -10.546 -4.194 1.00 0.00 N ATOM 255 CA LYS A 17 70.543 -9.307 -4.995 1.00 0.00 C ATOM 256 C LYS A 17 69.280 -9.451 -5.848 1.00 0.00 C ATOM 257 O LYS A 17 68.366 -8.655 -5.761 1.00 0.00 O ATOM 258 CB LYS A 17 71.781 -9.180 -5.883 1.00 0.00 C ATOM 259 CG LYS A 17 72.615 -7.978 -5.431 1.00 0.00 C ATOM 260 CD LYS A 17 73.493 -7.498 -6.590 1.00 0.00 C ATOM 261 CE LYS A 17 74.967 -7.610 -6.195 1.00 0.00 C ATOM 262 NZ LYS A 17 75.534 -6.254 -6.439 1.00 0.00 N ATOM 0 H LYS A 17 71.641 -11.036 -4.389 1.00 0.00 H new ATOM 0 HA LYS A 17 70.401 -8.428 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 17 72.377 -10.091 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 17 71.483 -9.058 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 17 71.960 -7.172 -5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 17 73.237 -8.254 -4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.298 -8.096 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.250 -6.465 -6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 17 75.075 -7.901 -5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 17 75.479 -8.365 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 76.544 -6.250 -6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 75.423 -6.007 -7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 75.031 -5.557 -5.853 1.00 0.00 H new ATOM 276 N ASN A 18 69.221 -10.462 -6.672 1.00 0.00 N ATOM 277 CA ASN A 18 68.017 -10.657 -7.530 1.00 0.00 C ATOM 278 C ASN A 18 66.741 -10.476 -6.704 1.00 0.00 C ATOM 279 O ASN A 18 65.763 -9.923 -7.168 1.00 0.00 O ATOM 280 CB ASN A 18 68.127 -12.095 -8.042 1.00 0.00 C ATOM 281 CG ASN A 18 68.813 -12.098 -9.409 1.00 0.00 C ATOM 282 OD1 ASN A 18 68.741 -11.131 -10.140 1.00 0.00 O ATOM 283 ND2 ASN A 18 69.480 -13.154 -9.788 1.00 0.00 N ATOM 0 H ASN A 18 69.954 -11.161 -6.788 1.00 0.00 H new ATOM 0 HA ASN A 18 67.969 -9.935 -8.345 1.00 0.00 H new ATOM 0 HB2 ASN A 18 68.695 -12.701 -7.337 1.00 0.00 H new ATOM 0 HB3 ASN A 18 67.136 -12.542 -8.120 1.00 0.00 H new ATOM 0 HD21 ASN A 18 69.941 -13.167 -10.698 1.00 0.00 H new ATOM 0 HD22 ASN A 18 69.541 -13.966 -9.174 1.00 0.00 H new ATOM 290 N GLU A 19 66.741 -10.939 -5.485 1.00 0.00 N ATOM 291 CA GLU A 19 65.525 -10.791 -4.633 1.00 0.00 C ATOM 292 C GLU A 19 65.257 -9.312 -4.343 1.00 0.00 C ATOM 293 O GLU A 19 64.149 -8.834 -4.483 1.00 0.00 O ATOM 294 CB GLU A 19 65.854 -11.540 -3.340 1.00 0.00 C ATOM 295 CG GLU A 19 64.555 -11.893 -2.612 1.00 0.00 C ATOM 296 CD GLU A 19 64.484 -13.407 -2.400 1.00 0.00 C ATOM 297 OE1 GLU A 19 64.294 -14.113 -3.376 1.00 0.00 O ATOM 298 OE2 GLU A 19 64.621 -13.833 -1.265 1.00 0.00 O ATOM 0 H GLU A 19 67.528 -11.413 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 19 64.632 -11.185 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 19 66.416 -12.447 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 19 66.486 -10.924 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU A 19 64.512 -11.378 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 19 63.697 -11.556 -3.193 1.00 0.00 H new ATOM 305 N PHE A 20 66.263 -8.584 -3.942 1.00 0.00 N ATOM 306 CA PHE A 20 66.063 -7.135 -3.645 1.00 0.00 C ATOM 307 C PHE A 20 65.726 -6.373 -4.929 1.00 0.00 C ATOM 308 O PHE A 20 64.893 -5.489 -4.936 1.00 0.00 O ATOM 309 CB PHE A 20 67.401 -6.661 -3.075 1.00 0.00 C ATOM 310 CG PHE A 20 67.267 -6.440 -1.588 1.00 0.00 C ATOM 311 CD1 PHE A 20 66.212 -5.670 -1.085 1.00 0.00 C ATOM 312 CD2 PHE A 20 68.202 -7.004 -0.711 1.00 0.00 C ATOM 313 CE1 PHE A 20 66.090 -5.463 0.295 1.00 0.00 C ATOM 314 CE2 PHE A 20 68.080 -6.797 0.669 1.00 0.00 C ATOM 315 CZ PHE A 20 67.024 -6.028 1.171 1.00 0.00 C ATOM 0 H PHE A 20 67.214 -8.928 -3.807 1.00 0.00 H new ATOM 0 HA PHE A 20 65.240 -6.965 -2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 20 68.176 -7.401 -3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 20 67.709 -5.737 -3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 20 65.491 -5.235 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 20 69.016 -7.598 -1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 20 65.276 -4.868 0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 20 68.801 -7.231 1.346 1.00 0.00 H new ATOM 0 HZ PHE A 20 66.930 -5.870 2.235 1.00 0.00 H new ATOM 325 N LYS A 21 66.366 -6.710 -6.016 1.00 0.00 N ATOM 326 CA LYS A 21 66.081 -6.004 -7.299 1.00 0.00 C ATOM 327 C LYS A 21 64.604 -6.161 -7.670 1.00 0.00 C ATOM 328 O LYS A 21 64.009 -5.289 -8.273 1.00 0.00 O ATOM 329 CB LYS A 21 66.970 -6.691 -8.336 1.00 0.00 C ATOM 330 CG LYS A 21 66.493 -6.326 -9.744 1.00 0.00 C ATOM 331 CD LYS A 21 65.869 -7.555 -10.407 1.00 0.00 C ATOM 332 CE LYS A 21 66.372 -7.671 -11.848 1.00 0.00 C ATOM 333 NZ LYS A 21 67.205 -8.907 -11.866 1.00 0.00 N ATOM 0 H LYS A 21 67.073 -7.443 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 21 66.282 -4.934 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 21 68.007 -6.384 -8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 21 66.937 -7.772 -8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 21 65.764 -5.517 -9.694 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.330 -5.964 -10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 21 66.128 -8.454 -9.847 1.00 0.00 H new ATOM 0 HD3 LYS A 21 64.782 -7.474 -10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 21 65.542 -7.744 -12.551 1.00 0.00 H new ATOM 0 HE3 LYS A 21 66.957 -6.797 -12.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 67.586 -9.055 -12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 67.990 -8.806 -11.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 66.620 -9.724 -11.596 1.00 0.00 H new ATOM 347 N ALA A 22 64.008 -7.267 -7.316 1.00 0.00 N ATOM 348 CA ALA A 22 62.571 -7.480 -7.652 1.00 0.00 C ATOM 349 C ALA A 22 61.679 -6.597 -6.773 1.00 0.00 C ATOM 350 O ALA A 22 60.856 -5.849 -7.262 1.00 0.00 O ATOM 351 CB ALA A 22 62.312 -8.959 -7.365 1.00 0.00 C ATOM 0 H ALA A 22 64.453 -8.032 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 22 62.348 -7.220 -8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 22 61.272 -9.196 -7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 22 62.965 -9.570 -7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 22 62.514 -9.167 -6.314 1.00 0.00 H new ATOM 357 N ALA A 23 61.833 -6.682 -5.478 1.00 0.00 N ATOM 358 CA ALA A 23 60.989 -5.849 -4.572 1.00 0.00 C ATOM 359 C ALA A 23 61.355 -4.369 -4.710 1.00 0.00 C ATOM 360 O ALA A 23 60.625 -3.496 -4.284 1.00 0.00 O ATOM 361 CB ALA A 23 61.308 -6.349 -3.164 1.00 0.00 C ATOM 0 H ALA A 23 62.505 -7.290 -5.010 1.00 0.00 H new ATOM 0 HA ALA A 23 59.928 -5.934 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 23 60.725 -5.784 -2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 23 61.057 -7.407 -3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.370 -6.213 -2.962 1.00 0.00 H new ATOM 367 N PHE A 24 62.484 -4.079 -5.297 1.00 0.00 N ATOM 368 CA PHE A 24 62.896 -2.655 -5.457 1.00 0.00 C ATOM 369 C PHE A 24 62.317 -2.075 -6.749 1.00 0.00 C ATOM 370 O PHE A 24 61.881 -0.942 -6.792 1.00 0.00 O ATOM 371 CB PHE A 24 64.422 -2.694 -5.523 1.00 0.00 C ATOM 372 CG PHE A 24 64.941 -1.336 -5.929 1.00 0.00 C ATOM 373 CD1 PHE A 24 64.922 -0.278 -5.013 1.00 0.00 C ATOM 374 CD2 PHE A 24 65.439 -1.135 -7.220 1.00 0.00 C ATOM 375 CE1 PHE A 24 65.401 0.982 -5.389 1.00 0.00 C ATOM 376 CE2 PHE A 24 65.919 0.125 -7.597 1.00 0.00 C ATOM 377 CZ PHE A 24 65.900 1.184 -6.681 1.00 0.00 C ATOM 0 H PHE A 24 63.138 -4.765 -5.672 1.00 0.00 H new ATOM 0 HA PHE A 24 62.537 -2.027 -4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 24 64.832 -2.977 -4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 24 64.747 -3.449 -6.239 1.00 0.00 H new ATOM 0 HD1 PHE A 24 64.538 -0.434 -4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 24 65.453 -1.952 -7.926 1.00 0.00 H new ATOM 0 HE1 PHE A 24 65.386 1.799 -4.682 1.00 0.00 H new ATOM 0 HE2 PHE A 24 66.304 0.280 -8.594 1.00 0.00 H new ATOM 0 HZ PHE A 24 66.270 2.156 -6.971 1.00 0.00 H new ATOM 387 N ASP A 25 62.309 -2.843 -7.804 1.00 0.00 N ATOM 388 CA ASP A 25 61.760 -2.334 -9.095 1.00 0.00 C ATOM 389 C ASP A 25 60.261 -2.052 -8.961 1.00 0.00 C ATOM 390 O ASP A 25 59.646 -1.481 -9.840 1.00 0.00 O ATOM 391 CB ASP A 25 62.003 -3.463 -10.097 1.00 0.00 C ATOM 392 CG ASP A 25 63.267 -3.164 -10.905 1.00 0.00 C ATOM 393 OD1 ASP A 25 63.202 -2.311 -11.775 1.00 0.00 O ATOM 394 OD2 ASP A 25 64.277 -3.795 -10.641 1.00 0.00 O ATOM 0 H ASP A 25 62.659 -3.801 -7.829 1.00 0.00 H new ATOM 0 HA ASP A 25 62.231 -1.401 -9.405 1.00 0.00 H new ATOM 0 HB2 ASP A 25 62.110 -4.412 -9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 25 61.147 -3.562 -10.764 1.00 0.00 H new ATOM 399 N ILE A 26 59.667 -2.453 -7.871 1.00 0.00 N ATOM 400 CA ILE A 26 58.208 -2.213 -7.685 1.00 0.00 C ATOM 401 C ILE A 26 57.960 -0.828 -7.078 1.00 0.00 C ATOM 402 O ILE A 26 56.888 -0.542 -6.584 1.00 0.00 O ATOM 403 CB ILE A 26 57.754 -3.306 -6.726 1.00 0.00 C ATOM 404 CG1 ILE A 26 57.934 -4.665 -7.404 1.00 0.00 C ATOM 405 CG2 ILE A 26 56.278 -3.091 -6.373 1.00 0.00 C ATOM 406 CD1 ILE A 26 57.318 -5.756 -6.535 1.00 0.00 C ATOM 0 H ILE A 26 60.129 -2.937 -7.101 1.00 0.00 H new ATOM 0 HA ILE A 26 57.664 -2.239 -8.629 1.00 0.00 H new ATOM 0 HB ILE A 26 58.347 -3.273 -5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 26 57.461 -4.658 -8.386 1.00 0.00 H new ATOM 0 HG13 ILE A 26 58.994 -4.867 -7.562 1.00 0.00 H new ATOM 0 HG21 ILE A 26 55.951 -3.872 -5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 26 56.155 -2.117 -5.899 1.00 0.00 H new ATOM 0 HG23 ILE A 26 55.677 -3.131 -7.281 1.00 0.00 H new ATOM 0 HD11 ILE A 26 57.447 -6.724 -7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 26 57.811 -5.768 -5.563 1.00 0.00 H new ATOM 0 HD13 ILE A 26 56.255 -5.557 -6.400 1.00 0.00 H new ATOM 418 N PHE A 27 58.940 0.034 -7.111 1.00 0.00 N ATOM 419 CA PHE A 27 58.747 1.396 -6.532 1.00 0.00 C ATOM 420 C PHE A 27 59.670 2.411 -7.216 1.00 0.00 C ATOM 421 O PHE A 27 59.916 3.483 -6.698 1.00 0.00 O ATOM 422 CB PHE A 27 59.113 1.256 -5.055 1.00 0.00 C ATOM 423 CG PHE A 27 58.059 0.436 -4.348 1.00 0.00 C ATOM 424 CD1 PHE A 27 56.904 1.055 -3.856 1.00 0.00 C ATOM 425 CD2 PHE A 27 58.239 -0.943 -4.184 1.00 0.00 C ATOM 426 CE1 PHE A 27 55.928 0.295 -3.199 1.00 0.00 C ATOM 427 CE2 PHE A 27 57.264 -1.702 -3.527 1.00 0.00 C ATOM 428 CZ PHE A 27 56.108 -1.084 -3.035 1.00 0.00 C ATOM 0 H PHE A 27 59.861 -0.144 -7.511 1.00 0.00 H new ATOM 0 HA PHE A 27 57.727 1.755 -6.671 1.00 0.00 H new ATOM 0 HB2 PHE A 27 60.088 0.778 -4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 27 59.192 2.241 -4.594 1.00 0.00 H new ATOM 0 HD1 PHE A 27 56.765 2.119 -3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 27 59.130 -1.421 -4.564 1.00 0.00 H new ATOM 0 HE1 PHE A 27 55.037 0.772 -2.819 1.00 0.00 H new ATOM 0 HE2 PHE A 27 57.403 -2.765 -3.399 1.00 0.00 H new ATOM 0 HZ PHE A 27 55.355 -1.671 -2.529 1.00 0.00 H new ATOM 438 N VAL A 28 60.182 2.089 -8.372 1.00 0.00 N ATOM 439 CA VAL A 28 61.085 3.047 -9.074 1.00 0.00 C ATOM 440 C VAL A 28 60.265 4.129 -9.778 1.00 0.00 C ATOM 441 O VAL A 28 60.803 5.068 -10.332 1.00 0.00 O ATOM 442 CB VAL A 28 61.858 2.200 -10.089 1.00 0.00 C ATOM 443 CG1 VAL A 28 62.448 3.105 -11.172 1.00 0.00 C ATOM 444 CG2 VAL A 28 62.989 1.458 -9.374 1.00 0.00 C ATOM 0 H VAL A 28 60.016 1.209 -8.860 1.00 0.00 H new ATOM 0 HA VAL A 28 61.756 3.561 -8.386 1.00 0.00 H new ATOM 0 HB VAL A 28 61.181 1.480 -10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.997 2.499 -11.893 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.643 3.635 -11.682 1.00 0.00 H new ATOM 0 HG13 VAL A 28 63.124 3.827 -10.714 1.00 0.00 H new ATOM 0 HG21 VAL A 28 63.541 0.854 -10.095 1.00 0.00 H new ATOM 0 HG22 VAL A 28 63.664 2.180 -8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 28 62.570 0.811 -8.604 1.00 0.00 H new ATOM 454 N LEU A 29 58.971 4.000 -9.746 1.00 0.00 N ATOM 455 CA LEU A 29 58.079 5.007 -10.401 1.00 0.00 C ATOM 456 C LEU A 29 58.720 5.561 -11.677 1.00 0.00 C ATOM 457 O LEU A 29 58.676 6.746 -11.940 1.00 0.00 O ATOM 458 CB LEU A 29 57.901 6.115 -9.364 1.00 0.00 C ATOM 459 CG LEU A 29 56.435 6.549 -9.332 1.00 0.00 C ATOM 460 CD1 LEU A 29 55.635 5.584 -8.455 1.00 0.00 C ATOM 461 CD2 LEU A 29 56.333 7.964 -8.757 1.00 0.00 C ATOM 0 H LEU A 29 58.482 3.231 -9.289 1.00 0.00 H new ATOM 0 HA LEU A 29 57.127 4.569 -10.701 1.00 0.00 H new ATOM 0 HB2 LEU A 29 58.208 5.760 -8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 29 58.538 6.965 -9.610 1.00 0.00 H new ATOM 0 HG LEU A 29 56.032 6.538 -10.345 1.00 0.00 H new ATOM 0 HD11 LEU A 29 54.590 5.894 -8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 29 55.706 4.576 -8.864 1.00 0.00 H new ATOM 0 HD13 LEU A 29 56.038 5.593 -7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 29 55.288 8.273 -8.734 1.00 0.00 H new ATOM 0 HD22 LEU A 29 56.737 7.975 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 29 56.902 8.653 -9.382 1.00 0.00 H new ATOM 473 N GLY A 30 59.315 4.715 -12.472 1.00 0.00 N ATOM 474 CA GLY A 30 59.956 5.197 -13.727 1.00 0.00 C ATOM 475 C GLY A 30 60.818 6.425 -13.426 1.00 0.00 C ATOM 476 O GLY A 30 60.638 7.478 -14.005 1.00 0.00 O ATOM 0 H GLY A 30 59.385 3.711 -12.307 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.570 4.407 -14.160 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.193 5.448 -14.464 1.00 0.00 H new ATOM 480 N ALA A 31 61.756 6.297 -12.528 1.00 0.00 N ATOM 481 CA ALA A 31 62.632 7.458 -12.193 1.00 0.00 C ATOM 482 C ALA A 31 63.760 7.576 -13.221 1.00 0.00 C ATOM 483 O ALA A 31 63.642 7.118 -14.340 1.00 0.00 O ATOM 484 CB ALA A 31 63.199 7.138 -10.809 1.00 0.00 C ATOM 0 H ALA A 31 61.954 5.440 -12.012 1.00 0.00 H new ATOM 0 HA ALA A 31 62.091 8.404 -12.202 1.00 0.00 H new ATOM 0 HB1 ALA A 31 63.856 7.947 -10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 31 62.381 7.032 -10.096 1.00 0.00 H new ATOM 0 HB3 ALA A 31 63.764 6.207 -10.854 1.00 0.00 H new ATOM 490 N GLU A 32 64.853 8.185 -12.853 1.00 0.00 N ATOM 491 CA GLU A 32 65.984 8.326 -13.814 1.00 0.00 C ATOM 492 C GLU A 32 66.275 6.978 -14.477 1.00 0.00 C ATOM 493 O GLU A 32 66.831 6.911 -15.555 1.00 0.00 O ATOM 494 CB GLU A 32 67.174 8.776 -12.967 1.00 0.00 C ATOM 495 CG GLU A 32 67.811 10.014 -13.601 1.00 0.00 C ATOM 496 CD GLU A 32 66.838 11.191 -13.514 1.00 0.00 C ATOM 497 OE1 GLU A 32 65.711 10.973 -13.097 1.00 0.00 O ATOM 498 OE2 GLU A 32 67.235 12.290 -13.864 1.00 0.00 O ATOM 0 H GLU A 32 65.012 8.590 -11.931 1.00 0.00 H new ATOM 0 HA GLU A 32 65.765 9.036 -14.612 1.00 0.00 H new ATOM 0 HB2 GLU A 32 66.847 9.001 -11.952 1.00 0.00 H new ATOM 0 HB3 GLU A 32 67.907 7.973 -12.895 1.00 0.00 H new ATOM 0 HG2 GLU A 32 68.742 10.259 -13.089 1.00 0.00 H new ATOM 0 HG3 GLU A 32 68.063 9.813 -14.642 1.00 0.00 H new ATOM 505 N ASP A 33 65.902 5.904 -13.836 1.00 0.00 N ATOM 506 CA ASP A 33 66.152 4.558 -14.424 1.00 0.00 C ATOM 507 C ASP A 33 65.722 3.470 -13.439 1.00 0.00 C ATOM 508 O ASP A 33 64.724 2.803 -13.631 1.00 0.00 O ATOM 509 CB ASP A 33 67.663 4.503 -14.660 1.00 0.00 C ATOM 510 CG ASP A 33 68.090 3.055 -14.904 1.00 0.00 C ATOM 511 OD1 ASP A 33 67.274 2.292 -15.397 1.00 0.00 O ATOM 512 OD2 ASP A 33 69.225 2.732 -14.594 1.00 0.00 O ATOM 0 H ASP A 33 65.434 5.901 -12.929 1.00 0.00 H new ATOM 0 HA ASP A 33 65.592 4.396 -15.345 1.00 0.00 H new ATOM 0 HB2 ASP A 33 67.930 5.121 -15.517 1.00 0.00 H new ATOM 0 HB3 ASP A 33 68.191 4.908 -13.797 1.00 0.00 H new ATOM 517 N GLY A 34 66.463 3.291 -12.383 1.00 0.00 N ATOM 518 CA GLY A 34 66.095 2.253 -11.380 1.00 0.00 C ATOM 519 C GLY A 34 66.106 2.877 -9.986 1.00 0.00 C ATOM 520 O GLY A 34 66.610 2.304 -9.041 1.00 0.00 O ATOM 0 H GLY A 34 67.309 3.819 -12.170 1.00 0.00 H new ATOM 0 HA2 GLY A 34 65.108 1.848 -11.603 1.00 0.00 H new ATOM 0 HA3 GLY A 34 66.798 1.421 -11.425 1.00 0.00 H new ATOM 524 N CYS A 35 65.555 4.051 -9.851 1.00 0.00 N ATOM 525 CA CYS A 35 65.535 4.716 -8.516 1.00 0.00 C ATOM 526 C CYS A 35 64.100 4.804 -7.989 1.00 0.00 C ATOM 527 O CYS A 35 63.170 5.049 -8.732 1.00 0.00 O ATOM 528 CB CYS A 35 66.103 6.113 -8.761 1.00 0.00 C ATOM 529 SG CYS A 35 67.662 5.981 -9.670 1.00 0.00 S ATOM 0 H CYS A 35 65.118 4.579 -10.606 1.00 0.00 H new ATOM 0 HA CYS A 35 66.112 4.166 -7.773 1.00 0.00 H new ATOM 0 HB2 CYS A 35 65.390 6.713 -9.326 1.00 0.00 H new ATOM 0 HB3 CYS A 35 66.266 6.623 -7.811 1.00 0.00 H new ATOM 0 HG CYS A 35 68.144 7.170 -9.880 1.00 0.00 H new ATOM 535 N ILE A 36 63.912 4.607 -6.712 1.00 0.00 N ATOM 536 CA ILE A 36 62.536 4.682 -6.142 1.00 0.00 C ATOM 537 C ILE A 36 62.395 5.934 -5.272 1.00 0.00 C ATOM 538 O ILE A 36 63.343 6.659 -5.052 1.00 0.00 O ATOM 539 CB ILE A 36 62.382 3.417 -5.298 1.00 0.00 C ATOM 540 CG1 ILE A 36 63.202 3.554 -4.012 1.00 0.00 C ATOM 541 CG2 ILE A 36 62.879 2.210 -6.092 1.00 0.00 C ATOM 542 CD1 ILE A 36 63.055 2.282 -3.176 1.00 0.00 C ATOM 0 H ILE A 36 64.650 4.398 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 36 61.771 4.745 -6.916 1.00 0.00 H new ATOM 0 HB ILE A 36 61.331 3.278 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.251 3.724 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 36 62.862 4.418 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.769 1.308 -5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 36 62.294 2.110 -7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.929 2.350 -6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 36 63.638 2.379 -2.260 1.00 0.00 H new ATOM 0 HD12 ILE A 36 62.005 2.132 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.416 1.427 -3.748 1.00 0.00 H new ATOM 554 N SER A 37 61.216 6.193 -4.776 1.00 0.00 N ATOM 555 CA SER A 37 61.017 7.399 -3.922 1.00 0.00 C ATOM 556 C SER A 37 61.240 7.049 -2.448 1.00 0.00 C ATOM 557 O SER A 37 60.657 6.119 -1.926 1.00 0.00 O ATOM 558 CB SER A 37 59.567 7.817 -4.159 1.00 0.00 C ATOM 559 OG SER A 37 59.487 8.575 -5.359 1.00 0.00 O ATOM 0 H SER A 37 60.383 5.623 -4.925 1.00 0.00 H new ATOM 0 HA SER A 37 61.717 8.197 -4.167 1.00 0.00 H new ATOM 0 HB2 SER A 37 58.929 6.936 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 37 59.204 8.407 -3.317 1.00 0.00 H new ATOM 0 HG SER A 37 58.557 8.843 -5.515 1.00 0.00 H new ATOM 565 N THR A 38 62.078 7.789 -1.774 1.00 0.00 N ATOM 566 CA THR A 38 62.336 7.500 -0.334 1.00 0.00 C ATOM 567 C THR A 38 61.020 7.198 0.386 1.00 0.00 C ATOM 568 O THR A 38 60.965 6.384 1.286 1.00 0.00 O ATOM 569 CB THR A 38 62.972 8.776 0.218 1.00 0.00 C ATOM 570 OG1 THR A 38 62.057 9.855 0.084 1.00 0.00 O ATOM 571 CG2 THR A 38 64.252 9.087 -0.559 1.00 0.00 C ATOM 0 H THR A 38 62.595 8.580 -2.158 1.00 0.00 H new ATOM 0 HA THR A 38 62.980 6.632 -0.194 1.00 0.00 H new ATOM 0 HB THR A 38 63.216 8.636 1.271 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.462 10.674 0.439 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.705 9.997 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.952 8.258 -0.454 1.00 0.00 H new ATOM 0 HG23 THR A 38 64.013 9.228 -1.613 1.00 0.00 H new ATOM 579 N LYS A 39 59.955 7.846 -0.002 1.00 0.00 N ATOM 580 CA LYS A 39 58.644 7.589 0.661 1.00 0.00 C ATOM 581 C LYS A 39 58.232 6.127 0.456 1.00 0.00 C ATOM 582 O LYS A 39 57.473 5.573 1.226 1.00 0.00 O ATOM 583 CB LYS A 39 57.656 8.529 -0.031 1.00 0.00 C ATOM 584 CG LYS A 39 57.498 8.115 -1.495 1.00 0.00 C ATOM 585 CD LYS A 39 57.238 9.356 -2.351 1.00 0.00 C ATOM 586 CE LYS A 39 55.830 9.890 -2.065 1.00 0.00 C ATOM 587 NZ LYS A 39 56.019 10.982 -1.065 1.00 0.00 N ATOM 0 H LYS A 39 59.936 8.541 -0.748 1.00 0.00 H new ATOM 0 HA LYS A 39 58.681 7.763 1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 39 56.691 8.495 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 39 58.012 9.557 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 39 58.398 7.605 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 39 56.673 7.410 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 39 57.981 10.123 -2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 39 57.337 9.109 -3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 39 55.360 10.266 -2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 39 55.184 9.105 -1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 55.274 11.698 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 55.965 10.587 -0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 56.950 11.424 -1.205 1.00 0.00 H new ATOM 601 N GLU A 40 58.731 5.501 -0.575 1.00 0.00 N ATOM 602 CA GLU A 40 58.373 4.076 -0.828 1.00 0.00 C ATOM 603 C GLU A 40 59.310 3.154 -0.045 1.00 0.00 C ATOM 604 O GLU A 40 58.956 2.046 0.308 1.00 0.00 O ATOM 605 CB GLU A 40 58.563 3.878 -2.332 1.00 0.00 C ATOM 606 CG GLU A 40 57.836 4.991 -3.091 1.00 0.00 C ATOM 607 CD GLU A 40 58.000 4.774 -4.596 1.00 0.00 C ATOM 608 OE1 GLU A 40 59.088 5.012 -5.094 1.00 0.00 O ATOM 609 OE2 GLU A 40 57.034 4.372 -5.226 1.00 0.00 O ATOM 0 H GLU A 40 59.371 5.915 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 40 57.356 3.843 -0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 40 59.625 3.888 -2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 40 58.175 2.905 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 40 56.779 4.995 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 40 58.239 5.963 -2.807 1.00 0.00 H new ATOM 616 N LEU A 41 60.503 3.603 0.232 1.00 0.00 N ATOM 617 CA LEU A 41 61.462 2.754 0.995 1.00 0.00 C ATOM 618 C LEU A 41 60.755 2.094 2.183 1.00 0.00 C ATOM 619 O LEU A 41 61.165 1.055 2.663 1.00 0.00 O ATOM 620 CB LEU A 41 62.541 3.722 1.487 1.00 0.00 C ATOM 621 CG LEU A 41 63.590 3.934 0.391 1.00 0.00 C ATOM 622 CD1 LEU A 41 64.486 2.700 0.295 1.00 0.00 C ATOM 623 CD2 LEU A 41 62.895 4.159 -0.955 1.00 0.00 C ATOM 0 H LEU A 41 60.856 4.521 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 41 61.878 1.952 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 41 62.089 4.676 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 41 63.015 3.326 2.385 1.00 0.00 H new ATOM 0 HG LEU A 41 64.194 4.807 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 41 65.232 2.852 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 41 64.987 2.539 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 41 63.879 1.828 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 41 63.645 4.309 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 41 62.288 3.288 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 41 62.257 5.040 -0.892 1.00 0.00 H new ATOM 635 N GLY A 42 59.697 2.690 2.662 1.00 0.00 N ATOM 636 CA GLY A 42 58.966 2.102 3.821 1.00 0.00 C ATOM 637 C GLY A 42 58.472 0.698 3.467 1.00 0.00 C ATOM 638 O GLY A 42 59.069 -0.293 3.839 1.00 0.00 O ATOM 0 H GLY A 42 59.307 3.560 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 42 59.621 2.058 4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 42 58.122 2.737 4.090 1.00 0.00 H new ATOM 642 N LYS A 43 57.381 0.604 2.755 1.00 0.00 N ATOM 643 CA LYS A 43 56.846 -0.739 2.384 1.00 0.00 C ATOM 644 C LYS A 43 57.959 -1.614 1.801 1.00 0.00 C ATOM 645 O LYS A 43 57.951 -2.820 1.943 1.00 0.00 O ATOM 646 CB LYS A 43 55.766 -0.467 1.333 1.00 0.00 C ATOM 647 CG LYS A 43 56.256 0.599 0.351 1.00 0.00 C ATOM 648 CD LYS A 43 55.497 1.904 0.597 1.00 0.00 C ATOM 649 CE LYS A 43 54.165 1.870 -0.156 1.00 0.00 C ATOM 650 NZ LYS A 43 53.702 3.284 -0.182 1.00 0.00 N ATOM 0 H LYS A 43 56.838 1.397 2.415 1.00 0.00 H new ATOM 0 HA LYS A 43 56.446 -1.272 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 43 55.527 -1.386 0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 43 54.849 -0.133 1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 43 57.327 0.759 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 43 56.101 0.263 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 43 55.320 2.039 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 43 56.094 2.753 0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 43 54.292 1.477 -1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 43 53.443 1.227 0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 52.792 3.342 -0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 53.584 3.629 0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 54.406 3.871 -0.674 1.00 0.00 H new ATOM 664 N VAL A 44 58.921 -1.018 1.149 1.00 0.00 N ATOM 665 CA VAL A 44 60.031 -1.823 0.567 1.00 0.00 C ATOM 666 C VAL A 44 60.904 -2.394 1.690 1.00 0.00 C ATOM 667 O VAL A 44 61.443 -3.477 1.582 1.00 0.00 O ATOM 668 CB VAL A 44 60.824 -0.839 -0.294 1.00 0.00 C ATOM 669 CG1 VAL A 44 62.224 -1.395 -0.560 1.00 0.00 C ATOM 670 CG2 VAL A 44 60.099 -0.632 -1.627 1.00 0.00 C ATOM 0 H VAL A 44 58.985 -0.012 0.995 1.00 0.00 H new ATOM 0 HA VAL A 44 59.673 -2.670 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 44 60.908 0.112 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 44 62.785 -0.690 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.742 -1.544 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 44 62.144 -2.348 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 44 60.662 0.069 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 44 60.015 -1.586 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 44 59.102 -0.232 -1.441 1.00 0.00 H new ATOM 680 N MET A 45 61.042 -1.673 2.770 1.00 0.00 N ATOM 681 CA MET A 45 61.875 -2.176 3.899 1.00 0.00 C ATOM 682 C MET A 45 61.120 -3.270 4.659 1.00 0.00 C ATOM 683 O MET A 45 61.667 -4.306 4.982 1.00 0.00 O ATOM 684 CB MET A 45 62.104 -0.958 4.796 1.00 0.00 C ATOM 685 CG MET A 45 63.216 -0.091 4.207 1.00 0.00 C ATOM 686 SD MET A 45 64.813 -0.623 4.873 1.00 0.00 S ATOM 687 CE MET A 45 65.676 0.957 4.687 1.00 0.00 C ATOM 0 H MET A 45 60.615 -0.759 2.919 1.00 0.00 H new ATOM 0 HA MET A 45 62.815 -2.612 3.560 1.00 0.00 H new ATOM 0 HB2 MET A 45 61.185 -0.379 4.882 1.00 0.00 H new ATOM 0 HB3 MET A 45 62.374 -1.280 5.802 1.00 0.00 H new ATOM 0 HG2 MET A 45 63.218 -0.172 3.120 1.00 0.00 H new ATOM 0 HG3 MET A 45 63.041 0.957 4.448 1.00 0.00 H new ATOM 0 HE1 MET A 45 66.695 0.777 4.346 1.00 0.00 H new ATOM 0 HE2 MET A 45 65.152 1.574 3.957 1.00 0.00 H new ATOM 0 HE3 MET A 45 65.701 1.473 5.647 1.00 0.00 H new ATOM 697 N ARG A 46 59.865 -3.048 4.945 1.00 0.00 N ATOM 698 CA ARG A 46 59.074 -4.077 5.680 1.00 0.00 C ATOM 699 C ARG A 46 58.659 -5.201 4.728 1.00 0.00 C ATOM 700 O ARG A 46 58.143 -6.220 5.141 1.00 0.00 O ATOM 701 CB ARG A 46 57.844 -3.332 6.201 1.00 0.00 C ATOM 702 CG ARG A 46 57.136 -2.638 5.037 1.00 0.00 C ATOM 703 CD ARG A 46 55.621 -2.702 5.249 1.00 0.00 C ATOM 704 NE ARG A 46 55.201 -1.286 5.438 1.00 0.00 N ATOM 705 CZ ARG A 46 53.962 -1.007 5.738 1.00 0.00 C ATOM 706 NH1 ARG A 46 52.992 -1.725 5.240 1.00 0.00 N ATOM 707 NH2 ARG A 46 53.693 -0.010 6.535 1.00 0.00 N ATOM 0 H ARG A 46 59.354 -2.200 4.702 1.00 0.00 H new ATOM 0 HA ARG A 46 59.642 -4.538 6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 46 57.164 -4.029 6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 46 58.141 -2.598 6.950 1.00 0.00 H new ATOM 0 HG2 ARG A 46 57.461 -1.600 4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 46 57.403 -3.119 4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 46 55.121 -3.151 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 46 55.369 -3.308 6.119 1.00 0.00 H new ATOM 0 HE ARG A 46 55.882 -0.534 5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 46 53.203 -2.504 4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 46 52.024 -1.507 5.475 1.00 0.00 H new ATOM 0 HH21 ARG A 46 54.451 0.551 6.923 1.00 0.00 H new ATOM 0 HH22 ARG A 46 52.725 0.208 6.770 1.00 0.00 H new ATOM 721 N MET A 47 58.880 -5.022 3.454 1.00 0.00 N ATOM 722 CA MET A 47 58.499 -6.080 2.474 1.00 0.00 C ATOM 723 C MET A 47 59.444 -7.277 2.594 1.00 0.00 C ATOM 724 O MET A 47 59.069 -8.405 2.345 1.00 0.00 O ATOM 725 CB MET A 47 58.643 -5.419 1.102 1.00 0.00 C ATOM 726 CG MET A 47 57.271 -4.945 0.617 1.00 0.00 C ATOM 727 SD MET A 47 56.539 -6.209 -0.453 1.00 0.00 S ATOM 728 CE MET A 47 56.914 -5.414 -2.035 1.00 0.00 C ATOM 0 H MET A 47 59.308 -4.189 3.049 1.00 0.00 H new ATOM 0 HA MET A 47 57.489 -6.455 2.643 1.00 0.00 H new ATOM 0 HB2 MET A 47 59.330 -4.575 1.163 1.00 0.00 H new ATOM 0 HB3 MET A 47 59.068 -6.125 0.389 1.00 0.00 H new ATOM 0 HG2 MET A 47 56.619 -4.752 1.469 1.00 0.00 H new ATOM 0 HG3 MET A 47 57.370 -4.006 0.073 1.00 0.00 H new ATOM 0 HE1 MET A 47 56.544 -6.035 -2.851 1.00 0.00 H new ATOM 0 HE2 MET A 47 56.432 -4.437 -2.075 1.00 0.00 H new ATOM 0 HE3 MET A 47 57.993 -5.291 -2.134 1.00 0.00 H new ATOM 738 N LEU A 48 60.670 -7.040 2.973 1.00 0.00 N ATOM 739 CA LEU A 48 61.640 -8.164 3.108 1.00 0.00 C ATOM 740 C LEU A 48 61.793 -8.559 4.579 1.00 0.00 C ATOM 741 O LEU A 48 62.223 -9.650 4.899 1.00 0.00 O ATOM 742 CB LEU A 48 62.957 -7.619 2.559 1.00 0.00 C ATOM 743 CG LEU A 48 63.118 -8.044 1.097 1.00 0.00 C ATOM 744 CD1 LEU A 48 63.221 -6.801 0.213 1.00 0.00 C ATOM 745 CD2 LEU A 48 64.390 -8.882 0.949 1.00 0.00 C ATOM 0 H LEU A 48 61.042 -6.117 3.195 1.00 0.00 H new ATOM 0 HA LEU A 48 61.314 -9.056 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 48 62.973 -6.532 2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 48 63.792 -7.993 3.151 1.00 0.00 H new ATOM 0 HG LEU A 48 62.254 -8.635 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 48 63.336 -7.103 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 48 62.316 -6.203 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 48 64.085 -6.209 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 48 64.507 -9.186 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.253 -8.290 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 48 64.317 -9.768 1.580 1.00 0.00 H new ATOM 757 N GLY A 49 61.443 -7.681 5.481 1.00 0.00 N ATOM 758 CA GLY A 49 61.570 -8.009 6.929 1.00 0.00 C ATOM 759 C GLY A 49 61.896 -6.739 7.717 1.00 0.00 C ATOM 760 O GLY A 49 61.226 -6.402 8.674 1.00 0.00 O ATOM 0 H GLY A 49 61.075 -6.752 5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 49 60.642 -8.448 7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 49 62.354 -8.752 7.076 1.00 0.00 H new ATOM 764 N GLN A 50 62.921 -6.033 7.327 1.00 0.00 N ATOM 765 CA GLN A 50 63.288 -4.786 8.058 1.00 0.00 C ATOM 766 C GLN A 50 62.060 -3.887 8.222 1.00 0.00 C ATOM 767 O GLN A 50 61.379 -3.572 7.268 1.00 0.00 O ATOM 768 CB GLN A 50 64.335 -4.102 7.180 1.00 0.00 C ATOM 769 CG GLN A 50 65.717 -4.257 7.817 1.00 0.00 C ATOM 770 CD GLN A 50 66.299 -2.875 8.119 1.00 0.00 C ATOM 771 OE1 GLN A 50 66.586 -2.555 9.351 1.00 0.00 O flip ATOM 772 NE2 GLN A 50 66.493 -2.077 7.224 1.00 0.00 N flip ATOM 0 H GLN A 50 63.520 -6.265 6.535 1.00 0.00 H new ATOM 0 HA GLN A 50 63.667 -4.994 9.059 1.00 0.00 H new ATOM 0 HB2 GLN A 50 64.332 -4.542 6.183 1.00 0.00 H new ATOM 0 HB3 GLN A 50 64.093 -3.046 7.064 1.00 0.00 H new ATOM 0 HG2 GLN A 50 65.642 -4.840 8.735 1.00 0.00 H new ATOM 0 HG3 GLN A 50 66.379 -4.803 7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 50 66.269 -2.327 6.261 1.00 0.00 H new ATOM 0 HE22 GLN A 50 66.880 -1.157 7.436 1.00 0.00 H new ATOM 781 N ASN A 51 61.777 -3.470 9.424 1.00 0.00 N ATOM 782 CA ASN A 51 60.595 -2.589 9.648 1.00 0.00 C ATOM 783 C ASN A 51 60.968 -1.433 10.580 1.00 0.00 C ATOM 784 O ASN A 51 60.445 -1.319 11.671 1.00 0.00 O ATOM 785 CB ASN A 51 59.545 -3.489 10.302 1.00 0.00 C ATOM 786 CG ASN A 51 60.087 -4.030 11.626 1.00 0.00 C ATOM 787 OD1 ASN A 51 61.065 -3.530 12.145 1.00 0.00 O ATOM 788 ND2 ASN A 51 59.489 -5.039 12.199 1.00 0.00 N ATOM 0 H ASN A 51 62.312 -3.700 10.261 1.00 0.00 H new ATOM 0 HA ASN A 51 60.229 -2.146 8.722 1.00 0.00 H new ATOM 0 HB2 ASN A 51 58.627 -2.927 10.475 1.00 0.00 H new ATOM 0 HB3 ASN A 51 59.293 -4.314 9.636 1.00 0.00 H new ATOM 0 HD21 ASN A 51 59.843 -5.407 13.082 1.00 0.00 H new ATOM 0 HD22 ASN A 51 58.668 -5.459 11.764 1.00 0.00 H new ATOM 795 N PRO A 52 61.867 -0.611 10.111 1.00 0.00 N ATOM 796 CA PRO A 52 62.325 0.554 10.907 1.00 0.00 C ATOM 797 C PRO A 52 61.241 1.634 10.947 1.00 0.00 C ATOM 798 O PRO A 52 60.103 1.401 10.591 1.00 0.00 O ATOM 799 CB PRO A 52 63.554 1.043 10.147 1.00 0.00 C ATOM 800 CG PRO A 52 63.356 0.573 8.741 1.00 0.00 C ATOM 801 CD PRO A 52 62.536 -0.690 8.808 1.00 0.00 C ATOM 0 HA PRO A 52 62.543 0.306 11.946 1.00 0.00 H new ATOM 0 HB2 PRO A 52 63.639 2.129 10.191 1.00 0.00 H new ATOM 0 HB3 PRO A 52 64.470 0.634 10.574 1.00 0.00 H new ATOM 0 HG2 PRO A 52 62.846 1.333 8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 52 64.315 0.384 8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 52 61.815 -0.742 7.992 1.00 0.00 H new ATOM 0 HD3 PRO A 52 63.164 -1.578 8.735 1.00 0.00 H new ATOM 809 N THR A 53 61.585 2.816 11.380 1.00 0.00 N ATOM 810 CA THR A 53 60.575 3.912 11.444 1.00 0.00 C ATOM 811 C THR A 53 60.845 4.945 10.345 1.00 0.00 C ATOM 812 O THR A 53 61.962 5.092 9.893 1.00 0.00 O ATOM 813 CB THR A 53 60.759 4.538 12.828 1.00 0.00 C ATOM 814 OG1 THR A 53 59.955 5.705 12.930 1.00 0.00 O ATOM 815 CG2 THR A 53 62.228 4.910 13.031 1.00 0.00 C ATOM 0 H THR A 53 62.522 3.071 11.692 1.00 0.00 H new ATOM 0 HA THR A 53 59.559 3.548 11.293 1.00 0.00 H new ATOM 0 HB THR A 53 60.459 3.822 13.593 1.00 0.00 H new ATOM 0 HG1 THR A 53 60.071 6.106 13.817 1.00 0.00 H new ATOM 0 HG21 THR A 53 62.358 5.356 14.017 1.00 0.00 H new ATOM 0 HG22 THR A 53 62.844 4.014 12.954 1.00 0.00 H new ATOM 0 HG23 THR A 53 62.531 5.626 12.267 1.00 0.00 H new ATOM 823 N PRO A 54 59.803 5.627 9.954 1.00 0.00 N ATOM 824 CA PRO A 54 59.923 6.660 8.897 1.00 0.00 C ATOM 825 C PRO A 54 60.652 7.895 9.436 1.00 0.00 C ATOM 826 O PRO A 54 61.032 8.777 8.693 1.00 0.00 O ATOM 827 CB PRO A 54 58.473 6.990 8.553 1.00 0.00 C ATOM 828 CG PRO A 54 57.694 6.631 9.778 1.00 0.00 C ATOM 829 CD PRO A 54 58.429 5.503 10.453 1.00 0.00 C ATOM 0 HA PRO A 54 60.495 6.324 8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 54 58.356 8.045 8.306 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.133 6.421 7.688 1.00 0.00 H new ATOM 0 HG2 PRO A 54 57.608 7.489 10.445 1.00 0.00 H new ATOM 0 HG3 PRO A 54 56.680 6.328 9.515 1.00 0.00 H new ATOM 0 HD2 PRO A 54 58.389 5.593 11.539 1.00 0.00 H new ATOM 0 HD3 PRO A 54 57.997 4.535 10.197 1.00 0.00 H new ATOM 837 N GLU A 55 60.849 7.962 10.725 1.00 0.00 N ATOM 838 CA GLU A 55 61.553 9.139 11.311 1.00 0.00 C ATOM 839 C GLU A 55 63.069 8.947 11.218 1.00 0.00 C ATOM 840 O GLU A 55 63.828 9.895 11.270 1.00 0.00 O ATOM 841 CB GLU A 55 61.106 9.181 12.772 1.00 0.00 C ATOM 842 CG GLU A 55 59.630 9.577 12.843 1.00 0.00 C ATOM 843 CD GLU A 55 59.424 10.580 13.978 1.00 0.00 C ATOM 844 OE1 GLU A 55 60.315 10.705 14.801 1.00 0.00 O ATOM 845 OE2 GLU A 55 58.378 11.208 14.005 1.00 0.00 O ATOM 0 H GLU A 55 60.553 7.254 11.397 1.00 0.00 H new ATOM 0 HA GLU A 55 61.317 10.065 10.787 1.00 0.00 H new ATOM 0 HB2 GLU A 55 61.255 8.206 13.237 1.00 0.00 H new ATOM 0 HB3 GLU A 55 61.712 9.896 13.328 1.00 0.00 H new ATOM 0 HG2 GLU A 55 59.314 10.014 11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 55 59.013 8.694 13.008 1.00 0.00 H new ATOM 852 N GLU A 56 63.515 7.729 11.080 1.00 0.00 N ATOM 853 CA GLU A 56 64.983 7.478 10.984 1.00 0.00 C ATOM 854 C GLU A 56 65.448 7.602 9.530 1.00 0.00 C ATOM 855 O GLU A 56 66.317 8.388 9.211 1.00 0.00 O ATOM 856 CB GLU A 56 65.173 6.047 11.488 1.00 0.00 C ATOM 857 CG GLU A 56 65.125 6.033 13.017 1.00 0.00 C ATOM 858 CD GLU A 56 66.539 6.199 13.574 1.00 0.00 C ATOM 859 OE1 GLU A 56 67.476 6.096 12.798 1.00 0.00 O ATOM 860 OE2 GLU A 56 66.663 6.425 14.766 1.00 0.00 O ATOM 0 H GLU A 56 62.928 6.896 11.029 1.00 0.00 H new ATOM 0 HA GLU A 56 65.564 8.195 11.564 1.00 0.00 H new ATOM 0 HB2 GLU A 56 64.394 5.401 11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 56 66.127 5.651 11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 56 64.484 6.837 13.379 1.00 0.00 H new ATOM 0 HG3 GLU A 56 64.692 5.097 13.369 1.00 0.00 H new ATOM 867 N LEU A 57 64.875 6.829 8.647 1.00 0.00 N ATOM 868 CA LEU A 57 65.285 6.904 7.216 1.00 0.00 C ATOM 869 C LEU A 57 65.378 8.364 6.768 1.00 0.00 C ATOM 870 O LEU A 57 66.411 8.822 6.321 1.00 0.00 O ATOM 871 CB LEU A 57 64.179 6.175 6.450 1.00 0.00 C ATOM 872 CG LEU A 57 64.498 4.681 6.391 1.00 0.00 C ATOM 873 CD1 LEU A 57 63.217 3.876 6.615 1.00 0.00 C ATOM 874 CD2 LEU A 57 65.081 4.339 5.018 1.00 0.00 C ATOM 0 H LEU A 57 64.142 6.150 8.855 1.00 0.00 H new ATOM 0 HA LEU A 57 66.264 6.457 7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 57 63.218 6.333 6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 57 64.093 6.579 5.441 1.00 0.00 H new ATOM 0 HG LEU A 57 65.223 4.433 7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 57 63.445 2.811 6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 57 62.800 4.120 7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 57 62.492 4.123 5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 57 65.309 3.274 4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 57 64.356 4.587 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 57 65.994 4.912 4.857 1.00 0.00 H new ATOM 886 N GLN A 58 64.306 9.098 6.883 1.00 0.00 N ATOM 887 CA GLN A 58 64.332 10.529 6.465 1.00 0.00 C ATOM 888 C GLN A 58 65.526 11.245 7.102 1.00 0.00 C ATOM 889 O GLN A 58 66.163 12.077 6.488 1.00 0.00 O ATOM 890 CB GLN A 58 63.017 11.115 6.979 1.00 0.00 C ATOM 891 CG GLN A 58 62.134 11.508 5.792 1.00 0.00 C ATOM 892 CD GLN A 58 62.654 12.809 5.179 1.00 0.00 C ATOM 893 OE1 GLN A 58 63.337 13.572 5.832 1.00 0.00 O ATOM 894 NE2 GLN A 58 62.356 13.097 3.941 1.00 0.00 N ATOM 0 H GLN A 58 63.412 8.769 7.248 1.00 0.00 H new ATOM 0 HA GLN A 58 64.434 10.643 5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 58 62.501 10.386 7.604 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.214 11.986 7.603 1.00 0.00 H new ATOM 0 HG2 GLN A 58 62.137 10.715 5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 58 61.102 11.634 6.119 1.00 0.00 H new ATOM 0 HE21 GLN A 58 61.782 12.456 3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 58 62.697 13.963 3.523 1.00 0.00 H new ATOM 903 N GLU A 59 65.832 10.928 8.331 1.00 0.00 N ATOM 904 CA GLU A 59 66.984 11.592 9.006 1.00 0.00 C ATOM 905 C GLU A 59 68.295 11.212 8.312 1.00 0.00 C ATOM 906 O GLU A 59 69.280 11.918 8.394 1.00 0.00 O ATOM 907 CB GLU A 59 66.963 11.063 10.440 1.00 0.00 C ATOM 908 CG GLU A 59 66.265 12.076 11.349 1.00 0.00 C ATOM 909 CD GLU A 59 67.256 13.168 11.754 1.00 0.00 C ATOM 910 OE1 GLU A 59 67.698 13.894 10.878 1.00 0.00 O ATOM 911 OE2 GLU A 59 67.557 13.259 12.933 1.00 0.00 O ATOM 0 H GLU A 59 65.335 10.239 8.896 1.00 0.00 H new ATOM 0 HA GLU A 59 66.911 12.679 8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 59 66.443 10.106 10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 59 67.981 10.887 10.789 1.00 0.00 H new ATOM 0 HG2 GLU A 59 65.413 12.517 10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 59 65.876 11.576 12.236 1.00 0.00 H new ATOM 918 N MET A 60 68.315 10.100 7.630 1.00 0.00 N ATOM 919 CA MET A 60 69.565 9.676 6.934 1.00 0.00 C ATOM 920 C MET A 60 69.531 10.120 5.469 1.00 0.00 C ATOM 921 O MET A 60 70.462 10.721 4.972 1.00 0.00 O ATOM 922 CB MET A 60 69.575 8.151 7.032 1.00 0.00 C ATOM 923 CG MET A 60 70.931 7.684 7.566 1.00 0.00 C ATOM 924 SD MET A 60 71.143 5.922 7.214 1.00 0.00 S ATOM 925 CE MET A 60 69.753 5.325 8.206 1.00 0.00 C ATOM 0 H MET A 60 67.522 9.467 7.524 1.00 0.00 H new ATOM 0 HA MET A 60 70.456 10.119 7.379 1.00 0.00 H new ATOM 0 HB2 MET A 60 68.776 7.813 7.692 1.00 0.00 H new ATOM 0 HB3 MET A 60 69.387 7.712 6.052 1.00 0.00 H new ATOM 0 HG2 MET A 60 71.734 8.258 7.102 1.00 0.00 H new ATOM 0 HG3 MET A 60 70.992 7.861 8.640 1.00 0.00 H new ATOM 0 HE1 MET A 60 69.875 4.259 8.398 1.00 0.00 H new ATOM 0 HE2 MET A 60 69.724 5.864 9.153 1.00 0.00 H new ATOM 0 HE3 MET A 60 68.822 5.492 7.665 1.00 0.00 H new ATOM 935 N ILE A 61 68.465 9.829 4.773 1.00 0.00 N ATOM 936 CA ILE A 61 68.377 10.238 3.342 1.00 0.00 C ATOM 937 C ILE A 61 68.795 11.702 3.185 1.00 0.00 C ATOM 938 O ILE A 61 69.276 12.113 2.149 1.00 0.00 O ATOM 939 CB ILE A 61 66.908 10.054 2.965 1.00 0.00 C ATOM 940 CG1 ILE A 61 66.542 8.570 3.051 1.00 0.00 C ATOM 941 CG2 ILE A 61 66.679 10.551 1.537 1.00 0.00 C ATOM 942 CD1 ILE A 61 65.078 8.427 3.469 1.00 0.00 C ATOM 0 H ILE A 61 67.653 9.327 5.133 1.00 0.00 H new ATOM 0 HA ILE A 61 69.036 9.650 2.703 1.00 0.00 H new ATOM 0 HB ILE A 61 66.284 10.625 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 61 66.704 8.088 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 61 67.187 8.067 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.631 10.419 1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 61 66.940 11.607 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.303 9.981 0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.819 7.370 3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.930 8.894 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.440 8.915 2.732 1.00 0.00 H new ATOM 954 N ASP A 62 68.617 12.493 4.209 1.00 0.00 N ATOM 955 CA ASP A 62 69.009 13.929 4.118 1.00 0.00 C ATOM 956 C ASP A 62 70.516 14.045 3.874 1.00 0.00 C ATOM 957 O ASP A 62 70.963 14.798 3.032 1.00 0.00 O ATOM 958 CB ASP A 62 68.636 14.530 5.473 1.00 0.00 C ATOM 959 CG ASP A 62 67.291 15.251 5.359 1.00 0.00 C ATOM 960 OD1 ASP A 62 66.389 14.689 4.762 1.00 0.00 O ATOM 961 OD2 ASP A 62 67.187 16.355 5.869 1.00 0.00 O ATOM 0 H ASP A 62 68.218 12.207 5.103 1.00 0.00 H new ATOM 0 HA ASP A 62 68.511 14.444 3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 62 68.577 13.745 6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 62 69.408 15.227 5.798 1.00 0.00 H new ATOM 966 N GLU A 63 71.300 13.302 4.605 1.00 0.00 N ATOM 967 CA GLU A 63 72.777 13.366 4.416 1.00 0.00 C ATOM 968 C GLU A 63 73.227 12.295 3.418 1.00 0.00 C ATOM 969 O GLU A 63 74.300 12.368 2.855 1.00 0.00 O ATOM 970 CB GLU A 63 73.367 13.092 5.801 1.00 0.00 C ATOM 971 CG GLU A 63 72.869 14.152 6.787 1.00 0.00 C ATOM 972 CD GLU A 63 74.038 15.037 7.219 1.00 0.00 C ATOM 973 OE1 GLU A 63 75.057 15.009 6.548 1.00 0.00 O ATOM 974 OE2 GLU A 63 73.897 15.727 8.215 1.00 0.00 O ATOM 0 H GLU A 63 70.982 12.653 5.325 1.00 0.00 H new ATOM 0 HA GLU A 63 73.102 14.328 4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 63 73.076 12.098 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 63 74.456 13.107 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 63 72.092 14.759 6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 63 72.421 13.672 7.657 1.00 0.00 H new ATOM 981 N VAL A 64 72.411 11.301 3.196 1.00 0.00 N ATOM 982 CA VAL A 64 72.789 10.226 2.234 1.00 0.00 C ATOM 983 C VAL A 64 72.375 10.621 0.814 1.00 0.00 C ATOM 984 O VAL A 64 73.116 10.443 -0.131 1.00 0.00 O ATOM 985 CB VAL A 64 72.015 8.990 2.697 1.00 0.00 C ATOM 986 CG1 VAL A 64 71.996 7.948 1.579 1.00 0.00 C ATOM 987 CG2 VAL A 64 72.697 8.398 3.933 1.00 0.00 C ATOM 0 H VAL A 64 71.499 11.186 3.639 1.00 0.00 H new ATOM 0 HA VAL A 64 73.864 10.047 2.213 1.00 0.00 H new ATOM 0 HB VAL A 64 70.992 9.274 2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.444 7.068 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 64 71.512 8.369 0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.018 7.663 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.147 7.517 4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.720 8.115 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 64 72.710 9.140 4.732 1.00 0.00 H new ATOM 997 N ASP A 65 71.195 11.157 0.659 1.00 0.00 N ATOM 998 CA ASP A 65 70.735 11.564 -0.700 1.00 0.00 C ATOM 999 C ASP A 65 70.837 13.083 -0.859 1.00 0.00 C ATOM 1000 O ASP A 65 69.931 13.727 -1.349 1.00 0.00 O ATOM 1001 CB ASP A 65 69.277 11.112 -0.775 1.00 0.00 C ATOM 1002 CG ASP A 65 69.001 10.505 -2.151 1.00 0.00 C ATOM 1003 OD1 ASP A 65 69.697 9.571 -2.515 1.00 0.00 O ATOM 1004 OD2 ASP A 65 68.098 10.983 -2.819 1.00 0.00 O ATOM 0 H ASP A 65 70.530 11.331 1.413 1.00 0.00 H new ATOM 0 HA ASP A 65 71.339 11.122 -1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 65 69.072 10.379 0.005 1.00 0.00 H new ATOM 0 HB3 ASP A 65 68.613 11.959 -0.600 1.00 0.00 H new ATOM 1043 N SER A 69 67.762 13.869 -5.305 1.00 0.00 N ATOM 1044 CA SER A 69 66.355 14.292 -5.565 1.00 0.00 C ATOM 1045 C SER A 69 65.386 13.459 -4.722 1.00 0.00 C ATOM 1046 O SER A 69 64.284 13.159 -5.140 1.00 0.00 O ATOM 1047 CB SER A 69 66.131 14.032 -7.053 1.00 0.00 C ATOM 1048 OG SER A 69 65.030 14.809 -7.507 1.00 0.00 O ATOM 0 HA SER A 69 66.184 15.336 -5.304 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.028 14.287 -7.617 1.00 0.00 H new ATOM 0 HB3 SER A 69 65.938 12.973 -7.224 1.00 0.00 H new ATOM 0 HG SER A 69 64.259 14.658 -6.921 1.00 0.00 H new ATOM 1054 N GLY A 70 65.786 13.083 -3.539 1.00 0.00 N ATOM 1055 CA GLY A 70 64.886 12.270 -2.672 1.00 0.00 C ATOM 1056 C GLY A 70 64.596 10.930 -3.348 1.00 0.00 C ATOM 1057 O GLY A 70 63.491 10.427 -3.299 1.00 0.00 O ATOM 0 H GLY A 70 66.696 13.303 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 70 65.352 12.105 -1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 70 63.955 12.807 -2.492 1.00 0.00 H new ATOM 1061 N THR A 71 65.579 10.347 -3.979 1.00 0.00 N ATOM 1062 CA THR A 71 65.355 9.037 -4.658 1.00 0.00 C ATOM 1063 C THR A 71 66.576 8.130 -4.476 1.00 0.00 C ATOM 1064 O THR A 71 67.699 8.527 -4.716 1.00 0.00 O ATOM 1065 CB THR A 71 65.160 9.383 -6.135 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.337 10.002 -6.635 1.00 0.00 O ATOM 1067 CG2 THR A 71 63.976 10.339 -6.285 1.00 0.00 C ATOM 0 H THR A 71 66.526 10.719 -4.054 1.00 0.00 H new ATOM 0 HA THR A 71 64.498 8.502 -4.248 1.00 0.00 H new ATOM 0 HB THR A 71 64.962 8.471 -6.698 1.00 0.00 H new ATOM 0 HG1 THR A 71 67.091 9.795 -6.045 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.838 10.585 -7.338 1.00 0.00 H new ATOM 0 HG22 THR A 71 63.073 9.863 -5.902 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.172 11.252 -5.722 1.00 0.00 H new ATOM 1075 N VAL A 72 66.364 6.914 -4.050 1.00 0.00 N ATOM 1076 CA VAL A 72 67.515 5.981 -3.852 1.00 0.00 C ATOM 1077 C VAL A 72 67.560 4.923 -4.953 1.00 0.00 C ATOM 1078 O VAL A 72 66.546 4.503 -5.474 1.00 0.00 O ATOM 1079 CB VAL A 72 67.297 5.303 -2.494 1.00 0.00 C ATOM 1080 CG1 VAL A 72 67.874 6.186 -1.396 1.00 0.00 C ATOM 1081 CG2 VAL A 72 65.803 5.079 -2.234 1.00 0.00 C ATOM 0 H VAL A 72 65.447 6.525 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 72 68.458 6.526 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 72 67.798 4.335 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.722 5.709 -0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 72 68.941 6.328 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.373 7.154 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 72 65.671 4.597 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 72 65.286 6.038 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 72 65.389 4.442 -3.016 1.00 0.00 H new ATOM 1091 N ASP A 73 68.737 4.478 -5.292 1.00 0.00 N ATOM 1092 CA ASP A 73 68.873 3.431 -6.339 1.00 0.00 C ATOM 1093 C ASP A 73 69.547 2.201 -5.729 1.00 0.00 C ATOM 1094 O ASP A 73 70.000 2.231 -4.603 1.00 0.00 O ATOM 1095 CB ASP A 73 69.759 4.055 -7.417 1.00 0.00 C ATOM 1096 CG ASP A 73 71.198 4.150 -6.906 1.00 0.00 C ATOM 1097 OD1 ASP A 73 71.407 4.820 -5.908 1.00 0.00 O ATOM 1098 OD2 ASP A 73 72.065 3.551 -7.520 1.00 0.00 O ATOM 0 H ASP A 73 69.616 4.798 -4.885 1.00 0.00 H new ATOM 0 HA ASP A 73 67.915 3.113 -6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 73 69.724 3.453 -8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 73 69.389 5.046 -7.678 1.00 0.00 H new ATOM 1103 N PHE A 74 69.618 1.122 -6.452 1.00 0.00 N ATOM 1104 CA PHE A 74 70.265 -0.097 -5.891 1.00 0.00 C ATOM 1105 C PHE A 74 71.571 0.279 -5.184 1.00 0.00 C ATOM 1106 O PHE A 74 71.950 -0.323 -4.199 1.00 0.00 O ATOM 1107 CB PHE A 74 70.544 -0.992 -7.097 1.00 0.00 C ATOM 1108 CG PHE A 74 70.179 -2.417 -6.760 1.00 0.00 C ATOM 1109 CD1 PHE A 74 68.991 -2.689 -6.072 1.00 0.00 C ATOM 1110 CD2 PHE A 74 71.027 -3.464 -7.135 1.00 0.00 C ATOM 1111 CE1 PHE A 74 68.651 -4.011 -5.759 1.00 0.00 C ATOM 1112 CE2 PHE A 74 70.689 -4.786 -6.822 1.00 0.00 C ATOM 1113 CZ PHE A 74 69.500 -5.059 -6.134 1.00 0.00 C ATOM 0 H PHE A 74 69.259 1.029 -7.402 1.00 0.00 H new ATOM 0 HA PHE A 74 69.636 -0.597 -5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 74 69.968 -0.651 -7.957 1.00 0.00 H new ATOM 0 HB3 PHE A 74 71.597 -0.930 -7.374 1.00 0.00 H new ATOM 0 HD1 PHE A 74 68.337 -1.880 -5.783 1.00 0.00 H new ATOM 0 HD2 PHE A 74 71.943 -3.253 -7.666 1.00 0.00 H new ATOM 0 HE1 PHE A 74 67.734 -4.222 -5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 74 71.344 -5.594 -7.111 1.00 0.00 H new ATOM 0 HZ PHE A 74 69.238 -6.079 -5.893 1.00 0.00 H new ATOM 1123 N ASP A 75 72.259 1.270 -5.678 1.00 0.00 N ATOM 1124 CA ASP A 75 73.538 1.687 -5.035 1.00 0.00 C ATOM 1125 C ASP A 75 73.275 2.218 -3.622 1.00 0.00 C ATOM 1126 O ASP A 75 73.782 1.695 -2.649 1.00 0.00 O ATOM 1127 CB ASP A 75 74.089 2.795 -5.931 1.00 0.00 C ATOM 1128 CG ASP A 75 75.469 3.223 -5.424 1.00 0.00 C ATOM 1129 OD1 ASP A 75 75.621 3.354 -4.221 1.00 0.00 O ATOM 1130 OD2 ASP A 75 76.349 3.413 -6.248 1.00 0.00 O ATOM 0 H ASP A 75 71.991 1.811 -6.500 1.00 0.00 H new ATOM 0 HA ASP A 75 74.238 0.858 -4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 75 74.161 2.443 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 75 73.410 3.648 -5.932 1.00 0.00 H new ATOM 1135 N GLU A 76 72.489 3.254 -3.500 1.00 0.00 N ATOM 1136 CA GLU A 76 72.199 3.813 -2.150 1.00 0.00 C ATOM 1137 C GLU A 76 71.300 2.856 -1.363 1.00 0.00 C ATOM 1138 O GLU A 76 71.582 2.515 -0.231 1.00 0.00 O ATOM 1139 CB GLU A 76 71.479 5.135 -2.415 1.00 0.00 C ATOM 1140 CG GLU A 76 72.379 6.047 -3.251 1.00 0.00 C ATOM 1141 CD GLU A 76 71.525 7.096 -3.964 1.00 0.00 C ATOM 1142 OE1 GLU A 76 70.447 7.387 -3.473 1.00 0.00 O ATOM 1143 OE2 GLU A 76 71.963 7.591 -4.989 1.00 0.00 O ATOM 0 H GLU A 76 72.036 3.736 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 76 73.103 3.955 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.541 4.952 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 76 71.227 5.620 -1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 76 73.114 6.535 -2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 76 72.934 5.458 -3.981 1.00 0.00 H new ATOM 1150 N PHE A 77 70.220 2.418 -1.954 1.00 0.00 N ATOM 1151 CA PHE A 77 69.304 1.482 -1.240 1.00 0.00 C ATOM 1152 C PHE A 77 70.111 0.427 -0.476 1.00 0.00 C ATOM 1153 O PHE A 77 70.011 0.310 0.729 1.00 0.00 O ATOM 1154 CB PHE A 77 68.474 0.824 -2.342 1.00 0.00 C ATOM 1155 CG PHE A 77 67.549 -0.201 -1.729 1.00 0.00 C ATOM 1156 CD1 PHE A 77 66.358 0.209 -1.122 1.00 0.00 C ATOM 1157 CD2 PHE A 77 67.886 -1.559 -1.768 1.00 0.00 C ATOM 1158 CE1 PHE A 77 65.500 -0.739 -0.552 1.00 0.00 C ATOM 1159 CE2 PHE A 77 67.029 -2.508 -1.197 1.00 0.00 C ATOM 1160 CZ PHE A 77 65.837 -2.098 -0.589 1.00 0.00 C ATOM 0 H PHE A 77 69.933 2.668 -2.900 1.00 0.00 H new ATOM 0 HA PHE A 77 68.680 1.995 -0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 77 67.896 1.578 -2.877 1.00 0.00 H new ATOM 0 HB3 PHE A 77 69.130 0.348 -3.071 1.00 0.00 H new ATOM 0 HD1 PHE A 77 66.100 1.257 -1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 77 68.806 -1.875 -2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 77 64.579 -0.423 -0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 77 67.288 -3.556 -1.226 1.00 0.00 H new ATOM 0 HZ PHE A 77 65.177 -2.830 -0.148 1.00 0.00 H new ATOM 1170 N LEU A 78 70.908 -0.341 -1.167 1.00 0.00 N ATOM 1171 CA LEU A 78 71.716 -1.388 -0.477 1.00 0.00 C ATOM 1172 C LEU A 78 72.358 -0.815 0.790 1.00 0.00 C ATOM 1173 O LEU A 78 72.245 -1.376 1.862 1.00 0.00 O ATOM 1174 CB LEU A 78 72.791 -1.789 -1.487 1.00 0.00 C ATOM 1175 CG LEU A 78 72.417 -3.128 -2.126 1.00 0.00 C ATOM 1176 CD1 LEU A 78 73.499 -3.538 -3.125 1.00 0.00 C ATOM 1177 CD2 LEU A 78 72.300 -4.196 -1.036 1.00 0.00 C ATOM 0 H LEU A 78 71.035 -0.290 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 78 71.109 -2.239 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 78 72.888 -1.022 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 78 73.759 -1.868 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 78 71.463 -3.029 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 78 73.232 -4.492 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 78 73.585 -2.777 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 78 74.453 -3.637 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 78 72.034 -5.151 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 78 73.254 -4.294 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 78 71.529 -3.905 -0.323 1.00 0.00 H new ATOM 1189 N VAL A 79 73.031 0.297 0.677 1.00 0.00 N ATOM 1190 CA VAL A 79 73.679 0.901 1.876 1.00 0.00 C ATOM 1191 C VAL A 79 72.655 1.067 3.003 1.00 0.00 C ATOM 1192 O VAL A 79 72.867 0.629 4.117 1.00 0.00 O ATOM 1193 CB VAL A 79 74.190 2.263 1.409 1.00 0.00 C ATOM 1194 CG1 VAL A 79 74.875 2.979 2.574 1.00 0.00 C ATOM 1195 CG2 VAL A 79 75.194 2.066 0.272 1.00 0.00 C ATOM 0 H VAL A 79 73.160 0.813 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 79 74.484 0.279 2.268 1.00 0.00 H new ATOM 0 HB VAL A 79 73.352 2.864 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 79 75.239 3.951 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 79 74.161 3.118 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 79 75.713 2.379 2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 79 75.560 3.037 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 79 76.032 1.465 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 79 74.707 1.556 -0.559 1.00 0.00 H new ATOM 1205 N MET A 80 71.547 1.695 2.721 1.00 0.00 N ATOM 1206 CA MET A 80 70.512 1.888 3.777 1.00 0.00 C ATOM 1207 C MET A 80 70.278 0.576 4.532 1.00 0.00 C ATOM 1208 O MET A 80 70.058 0.566 5.727 1.00 0.00 O ATOM 1209 CB MET A 80 69.248 2.304 3.023 1.00 0.00 C ATOM 1210 CG MET A 80 69.163 3.830 2.974 1.00 0.00 C ATOM 1211 SD MET A 80 68.488 4.347 1.376 1.00 0.00 S ATOM 1212 CE MET A 80 68.063 6.042 1.846 1.00 0.00 C ATOM 0 H MET A 80 71.313 2.082 1.807 1.00 0.00 H new ATOM 0 HA MET A 80 70.809 2.633 4.516 1.00 0.00 H new ATOM 0 HB2 MET A 80 69.264 1.897 2.012 1.00 0.00 H new ATOM 0 HB3 MET A 80 68.366 1.896 3.517 1.00 0.00 H new ATOM 0 HG2 MET A 80 68.531 4.196 3.783 1.00 0.00 H new ATOM 0 HG3 MET A 80 70.152 4.265 3.121 1.00 0.00 H new ATOM 0 HE1 MET A 80 66.979 6.151 1.874 1.00 0.00 H new ATOM 0 HE2 MET A 80 68.475 6.261 2.831 1.00 0.00 H new ATOM 0 HE3 MET A 80 68.479 6.737 1.117 1.00 0.00 H new ATOM 1222 N MET A 81 70.325 -0.532 3.844 1.00 0.00 N ATOM 1223 CA MET A 81 70.106 -1.841 4.523 1.00 0.00 C ATOM 1224 C MET A 81 71.308 -2.187 5.405 1.00 0.00 C ATOM 1225 O MET A 81 71.213 -2.211 6.616 1.00 0.00 O ATOM 1226 CB MET A 81 69.963 -2.857 3.388 1.00 0.00 C ATOM 1227 CG MET A 81 68.570 -3.483 3.437 1.00 0.00 C ATOM 1228 SD MET A 81 68.593 -4.923 4.533 1.00 0.00 S ATOM 1229 CE MET A 81 69.800 -5.896 3.600 1.00 0.00 C ATOM 0 H MET A 81 70.505 -0.588 2.842 1.00 0.00 H new ATOM 0 HA MET A 81 69.230 -1.828 5.172 1.00 0.00 H new ATOM 0 HB2 MET A 81 70.120 -2.368 2.426 1.00 0.00 H new ATOM 0 HB3 MET A 81 70.725 -3.631 3.480 1.00 0.00 H new ATOM 0 HG2 MET A 81 67.844 -2.753 3.794 1.00 0.00 H new ATOM 0 HG3 MET A 81 68.258 -3.780 2.436 1.00 0.00 H new ATOM 0 HE1 MET A 81 69.588 -6.958 3.727 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.737 -5.637 2.543 1.00 0.00 H new ATOM 0 HE3 MET A 81 70.803 -5.680 3.967 1.00 0.00 H new ATOM 1239 N VAL A 82 72.438 -2.452 4.809 1.00 0.00 N ATOM 1240 CA VAL A 82 73.643 -2.794 5.617 1.00 0.00 C ATOM 1241 C VAL A 82 73.881 -1.725 6.686 1.00 0.00 C ATOM 1242 O VAL A 82 74.501 -1.974 7.700 1.00 0.00 O ATOM 1243 CB VAL A 82 74.797 -2.820 4.616 1.00 0.00 C ATOM 1244 CG1 VAL A 82 74.514 -3.863 3.534 1.00 0.00 C ATOM 1245 CG2 VAL A 82 74.941 -1.441 3.968 1.00 0.00 C ATOM 0 H VAL A 82 72.579 -2.447 3.799 1.00 0.00 H new ATOM 0 HA VAL A 82 73.536 -3.745 6.138 1.00 0.00 H new ATOM 0 HB VAL A 82 75.720 -3.078 5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 82 75.338 -3.880 2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 82 74.412 -4.846 3.994 1.00 0.00 H new ATOM 0 HG13 VAL A 82 73.590 -3.607 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 82 75.764 -1.459 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 82 74.017 -1.184 3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 82 75.145 -0.697 4.738 1.00 0.00 H new ATOM 1255 N ARG A 83 73.391 -0.535 6.467 1.00 0.00 N ATOM 1256 CA ARG A 83 73.588 0.549 7.472 1.00 0.00 C ATOM 1257 C ARG A 83 72.745 0.267 8.718 1.00 0.00 C ATOM 1258 O ARG A 83 73.266 0.009 9.785 1.00 0.00 O ATOM 1259 CB ARG A 83 73.111 1.825 6.777 1.00 0.00 C ATOM 1260 CG ARG A 83 73.179 2.995 7.759 1.00 0.00 C ATOM 1261 CD ARG A 83 74.642 3.321 8.068 1.00 0.00 C ATOM 1262 NE ARG A 83 74.589 4.285 9.202 1.00 0.00 N ATOM 1263 CZ ARG A 83 75.631 5.020 9.481 1.00 0.00 C ATOM 1264 NH1 ARG A 83 76.294 5.603 8.520 1.00 0.00 N ATOM 1265 NH2 ARG A 83 76.007 5.173 10.721 1.00 0.00 N ATOM 0 H ARG A 83 72.863 -0.267 5.636 1.00 0.00 H new ATOM 0 HA ARG A 83 74.625 0.629 7.800 1.00 0.00 H new ATOM 0 HB2 ARG A 83 73.732 2.031 5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 83 72.090 1.696 6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 83 72.683 3.868 7.335 1.00 0.00 H new ATOM 0 HG3 ARG A 83 72.650 2.743 8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 83 75.198 2.423 8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 83 75.141 3.757 7.202 1.00 0.00 H new ATOM 0 HE ARG A 83 73.739 4.371 9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 83 75.998 5.484 7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 83 77.108 6.177 8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 83 75.487 4.718 11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 83 76.821 5.747 10.940 1.00 0.00 H new ATOM 1279 N CYS A 84 71.448 0.313 8.591 1.00 0.00 N ATOM 1280 CA CYS A 84 70.574 0.044 9.768 1.00 0.00 C ATOM 1281 C CYS A 84 70.852 -1.357 10.319 1.00 0.00 C ATOM 1282 O CYS A 84 70.498 -1.678 11.436 1.00 0.00 O ATOM 1283 CB CYS A 84 69.146 0.136 9.230 1.00 0.00 C ATOM 1284 SG CYS A 84 68.351 1.627 9.880 1.00 0.00 S ATOM 0 H CYS A 84 70.955 0.525 7.724 1.00 0.00 H new ATOM 0 HA CYS A 84 70.747 0.747 10.583 1.00 0.00 H new ATOM 0 HB2 CYS A 84 69.158 0.163 8.140 1.00 0.00 H new ATOM 0 HB3 CYS A 84 68.579 -0.748 9.521 1.00 0.00 H new ATOM 0 HG CYS A 84 67.137 1.707 9.421 1.00 0.00 H new ATOM 1290 N MET A 85 71.483 -2.194 9.541 1.00 0.00 N ATOM 1291 CA MET A 85 71.784 -3.575 10.016 1.00 0.00 C ATOM 1292 C MET A 85 72.697 -3.529 11.245 1.00 0.00 C ATOM 1293 O MET A 85 73.881 -3.786 11.159 1.00 0.00 O ATOM 1294 CB MET A 85 72.499 -4.247 8.843 1.00 0.00 C ATOM 1295 CG MET A 85 71.581 -5.301 8.222 1.00 0.00 C ATOM 1296 SD MET A 85 72.546 -6.777 7.814 1.00 0.00 S ATOM 1297 CE MET A 85 72.105 -6.859 6.061 1.00 0.00 C ATOM 0 H MET A 85 71.803 -1.981 8.596 1.00 0.00 H new ATOM 0 HA MET A 85 70.884 -4.115 10.312 1.00 0.00 H new ATOM 0 HB2 MET A 85 72.773 -3.502 8.096 1.00 0.00 H new ATOM 0 HB3 MET A 85 73.424 -4.711 9.185 1.00 0.00 H new ATOM 0 HG2 MET A 85 70.781 -5.557 8.917 1.00 0.00 H new ATOM 0 HG3 MET A 85 71.108 -4.903 7.324 1.00 0.00 H new ATOM 0 HE1 MET A 85 72.571 -7.734 5.609 1.00 0.00 H new ATOM 0 HE2 MET A 85 71.022 -6.933 5.961 1.00 0.00 H new ATOM 0 HE3 MET A 85 72.455 -5.959 5.555 1.00 0.00 H new