USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 426 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 4 ASN : amide:sc= -0.366 K(o=-0.37,f=-3.3!) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0187 K(o=-0.019,f=-0.81) USER MOD Single : A 13 TYR OH : rot -132:sc= 1.12 USER MOD Single : A 14 MET CE :methyl -151:sc= -0.358 (180deg=-1.37!) USER MOD Single : A 22 SER OG : rot 7:sc= -0.492 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -58:sc= 1.3 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -151:sc= -0.361 (180deg=-1.62!) USER MOD Single : A 34 LYS NZ :NH3+ 142:sc= 1.26 (180deg=0.298) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc=-0.000159 X(o=-0.00016,f=-0.38) USER MOD Single : A 47 GLN : amide:sc= -0.207 K(o=-0.21,f=-3.9!) USER MOD Single : A 53 SER OG : rot -119:sc= 1.27 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.76! USER MOD ----------------------------------------------------------------- ATOM 38 N ASN A 4 -11.610 1.194 3.567 1.00 0.00 N ATOM 39 CA ASN A 4 -11.137 2.307 2.738 1.00 0.00 C ATOM 40 C ASN A 4 -10.201 3.195 3.552 1.00 0.00 C ATOM 41 O ASN A 4 -10.131 4.408 3.346 1.00 0.00 O ATOM 42 CB ASN A 4 -12.310 3.136 2.179 1.00 0.00 C ATOM 43 CG ASN A 4 -13.248 3.687 3.247 1.00 0.00 C ATOM 44 OD1 ASN A 4 -12.851 3.958 4.379 1.00 0.00 O ATOM 45 ND2 ASN A 4 -14.512 3.857 2.885 1.00 0.00 N ATOM 0 HA ASN A 4 -10.595 1.891 1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.909 3.967 1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.884 2.515 1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -15.189 4.223 3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.807 3.622 1.937 1.00 0.00 H new ATOM 52 N MET A 5 -9.461 2.567 4.454 1.00 0.00 N ATOM 53 CA MET A 5 -8.590 3.264 5.378 1.00 0.00 C ATOM 54 C MET A 5 -7.427 3.930 4.648 1.00 0.00 C ATOM 55 O MET A 5 -6.705 3.280 3.896 1.00 0.00 O ATOM 56 CB MET A 5 -8.056 2.269 6.408 1.00 0.00 C ATOM 57 CG MET A 5 -9.086 1.839 7.440 1.00 0.00 C ATOM 58 SD MET A 5 -8.476 0.539 8.531 1.00 0.00 S ATOM 59 CE MET A 5 -9.844 0.386 9.677 1.00 0.00 C ATOM 0 H MET A 5 -9.451 1.553 4.563 1.00 0.00 H new ATOM 0 HA MET A 5 -9.164 4.046 5.875 1.00 0.00 H new ATOM 0 HB2 MET A 5 -7.687 1.385 5.888 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.205 2.715 6.922 1.00 0.00 H new ATOM 0 HG2 MET A 5 -9.378 2.702 8.038 1.00 0.00 H new ATOM 0 HG3 MET A 5 -9.982 1.488 6.929 1.00 0.00 H new ATOM 0 HE1 MET A 5 -9.616 -0.383 10.416 1.00 0.00 H new ATOM 0 HE2 MET A 5 -10.004 1.339 10.182 1.00 0.00 H new ATOM 0 HE3 MET A 5 -10.746 0.109 9.132 1.00 0.00 H new ATOM 69 N PRO A 6 -7.246 5.242 4.842 1.00 0.00 N ATOM 70 CA PRO A 6 -6.123 5.978 4.265 1.00 0.00 C ATOM 71 C PRO A 6 -4.812 5.632 4.962 1.00 0.00 C ATOM 72 O PRO A 6 -4.720 5.685 6.186 1.00 0.00 O ATOM 73 CB PRO A 6 -6.482 7.454 4.505 1.00 0.00 C ATOM 74 CG PRO A 6 -7.900 7.454 4.981 1.00 0.00 C ATOM 75 CD PRO A 6 -8.117 6.119 5.631 1.00 0.00 C ATOM 0 HA PRO A 6 -5.975 5.739 3.212 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.820 7.902 5.246 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.376 8.036 3.590 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.075 8.265 5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.591 7.601 4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.837 6.129 6.684 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.160 5.807 5.581 1.00 0.00 H new ATOM 83 N ALA A 7 -3.804 5.285 4.181 1.00 0.00 N ATOM 84 CA ALA A 7 -2.526 4.881 4.736 1.00 0.00 C ATOM 85 C ALA A 7 -1.387 5.615 4.051 1.00 0.00 C ATOM 86 O ALA A 7 -1.293 5.632 2.826 1.00 0.00 O ATOM 87 CB ALA A 7 -2.336 3.378 4.605 1.00 0.00 C ATOM 0 H ALA A 7 -3.846 5.275 3.162 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.519 5.142 5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.372 3.095 5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.132 2.862 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.368 3.098 3.552 1.00 0.00 H new ATOM 93 N TYR A 8 -0.533 6.220 4.850 1.00 0.00 N ATOM 94 CA TYR A 8 0.610 6.949 4.339 1.00 0.00 C ATOM 95 C TYR A 8 1.722 5.963 3.994 1.00 0.00 C ATOM 96 O TYR A 8 1.848 4.926 4.635 1.00 0.00 O ATOM 97 CB TYR A 8 1.097 7.958 5.383 1.00 0.00 C ATOM 98 CG TYR A 8 0.002 8.863 5.918 1.00 0.00 C ATOM 99 CD1 TYR A 8 -0.989 9.379 5.086 1.00 0.00 C ATOM 100 CD2 TYR A 8 -0.033 9.202 7.266 1.00 0.00 C ATOM 101 CE1 TYR A 8 -1.980 10.205 5.586 1.00 0.00 C ATOM 102 CE2 TYR A 8 -1.021 10.028 7.771 1.00 0.00 C ATOM 103 CZ TYR A 8 -1.991 10.526 6.927 1.00 0.00 C ATOM 104 OH TYR A 8 -2.977 11.348 7.431 1.00 0.00 O ATOM 0 H TYR A 8 -0.610 6.221 5.867 1.00 0.00 H new ATOM 0 HA TYR A 8 0.323 7.495 3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.547 7.417 6.215 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.881 8.574 4.942 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.984 9.131 4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.725 8.814 7.931 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.742 10.597 4.929 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.033 10.281 8.821 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.839 11.473 8.393 1.00 0.00 H new ATOM 114 N VAL A 9 2.508 6.263 2.976 1.00 0.00 N ATOM 115 CA VAL A 9 3.568 5.355 2.564 1.00 0.00 C ATOM 116 C VAL A 9 4.839 5.581 3.382 1.00 0.00 C ATOM 117 O VAL A 9 5.326 6.706 3.502 1.00 0.00 O ATOM 118 CB VAL A 9 3.884 5.485 1.061 1.00 0.00 C ATOM 119 CG1 VAL A 9 5.065 4.606 0.690 1.00 0.00 C ATOM 120 CG2 VAL A 9 2.667 5.112 0.221 1.00 0.00 C ATOM 0 H VAL A 9 2.436 7.117 2.424 1.00 0.00 H new ATOM 0 HA VAL A 9 3.204 4.344 2.749 1.00 0.00 H new ATOM 0 HB VAL A 9 4.142 6.524 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.275 4.709 -0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.940 4.911 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.829 3.566 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.911 5.210 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.380 4.082 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.838 5.777 0.466 1.00 0.00 H new ATOM 130 N LYS A 10 5.365 4.491 3.933 1.00 0.00 N ATOM 131 CA LYS A 10 6.561 4.533 4.770 1.00 0.00 C ATOM 132 C LYS A 10 7.828 4.674 3.933 1.00 0.00 C ATOM 133 O LYS A 10 8.633 5.574 4.162 1.00 0.00 O ATOM 134 CB LYS A 10 6.657 3.266 5.624 1.00 0.00 C ATOM 135 CG LYS A 10 5.702 3.242 6.805 1.00 0.00 C ATOM 136 CD LYS A 10 6.181 4.145 7.934 1.00 0.00 C ATOM 137 CE LYS A 10 7.412 3.580 8.627 1.00 0.00 C ATOM 138 NZ LYS A 10 7.781 4.369 9.831 1.00 0.00 N ATOM 0 H LYS A 10 4.976 3.556 3.813 1.00 0.00 H new ATOM 0 HA LYS A 10 6.476 5.407 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.460 2.399 4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.678 3.166 5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.712 3.561 6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.603 2.221 7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.410 5.134 7.536 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.380 4.272 8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.224 2.545 8.914 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.249 3.570 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.624 3.952 10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.985 5.350 9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.992 4.358 10.509 1.00 0.00 H new ATOM 152 N PHE A 11 8.006 3.777 2.971 1.00 0.00 N ATOM 153 CA PHE A 11 9.225 3.749 2.169 1.00 0.00 C ATOM 154 C PHE A 11 8.886 3.625 0.692 1.00 0.00 C ATOM 155 O PHE A 11 7.780 3.222 0.336 1.00 0.00 O ATOM 156 CB PHE A 11 10.127 2.581 2.590 1.00 0.00 C ATOM 157 CG PHE A 11 10.485 2.580 4.049 1.00 0.00 C ATOM 158 CD1 PHE A 11 11.411 3.479 4.550 1.00 0.00 C ATOM 159 CD2 PHE A 11 9.897 1.675 4.916 1.00 0.00 C ATOM 160 CE1 PHE A 11 11.738 3.479 5.892 1.00 0.00 C ATOM 161 CE2 PHE A 11 10.220 1.671 6.259 1.00 0.00 C ATOM 162 CZ PHE A 11 11.146 2.571 6.747 1.00 0.00 C ATOM 0 H PHE A 11 7.323 3.060 2.727 1.00 0.00 H new ATOM 0 HA PHE A 11 9.759 4.684 2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 11 9.626 1.643 2.349 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.044 2.613 2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.882 4.187 3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.177 0.964 4.538 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.457 4.189 6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.749 0.965 6.926 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.407 2.565 7.795 1.00 0.00 H new ATOM 172 N ASN A 12 9.839 3.974 -0.159 1.00 0.00 N ATOM 173 CA ASN A 12 9.651 3.888 -1.604 1.00 0.00 C ATOM 174 C ASN A 12 9.590 2.432 -2.048 1.00 0.00 C ATOM 175 O ASN A 12 10.594 1.717 -2.011 1.00 0.00 O ATOM 176 CB ASN A 12 10.791 4.603 -2.342 1.00 0.00 C ATOM 177 CG ASN A 12 10.624 4.570 -3.854 1.00 0.00 C ATOM 178 OD1 ASN A 12 9.510 4.591 -4.371 1.00 0.00 O ATOM 179 ND2 ASN A 12 11.737 4.506 -4.573 1.00 0.00 N ATOM 0 H ASN A 12 10.755 4.321 0.125 1.00 0.00 H new ATOM 0 HA ASN A 12 8.708 4.377 -1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.840 5.640 -2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.740 4.137 -2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.685 4.472 -5.591 1.00 0.00 H new ATOM 0 HD22 ASN A 12 12.645 4.490 -4.108 1.00 0.00 H new ATOM 186 N TYR A 13 8.411 1.997 -2.452 1.00 0.00 N ATOM 187 CA TYR A 13 8.218 0.642 -2.934 1.00 0.00 C ATOM 188 C TYR A 13 7.848 0.681 -4.408 1.00 0.00 C ATOM 189 O TYR A 13 6.701 0.945 -4.767 1.00 0.00 O ATOM 190 CB TYR A 13 7.126 -0.067 -2.126 1.00 0.00 C ATOM 191 CG TYR A 13 6.930 -1.523 -2.499 1.00 0.00 C ATOM 192 CD1 TYR A 13 7.817 -2.497 -2.056 1.00 0.00 C ATOM 193 CD2 TYR A 13 5.854 -1.924 -3.283 1.00 0.00 C ATOM 194 CE1 TYR A 13 7.640 -3.827 -2.387 1.00 0.00 C ATOM 195 CE2 TYR A 13 5.668 -3.254 -3.616 1.00 0.00 C ATOM 196 CZ TYR A 13 6.564 -4.201 -3.165 1.00 0.00 C ATOM 197 OH TYR A 13 6.380 -5.527 -3.484 1.00 0.00 O ATOM 0 H TYR A 13 7.566 2.568 -2.456 1.00 0.00 H new ATOM 0 HA TYR A 13 9.145 0.082 -2.810 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.374 -0.004 -1.066 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.184 0.463 -2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.658 -2.210 -1.443 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.151 -1.185 -3.638 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.341 -4.571 -2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.826 -3.549 -4.225 1.00 0.00 H new ATOM 0 HH TYR A 13 6.200 -5.611 -4.444 1.00 0.00 H new ATOM 207 N MET A 14 8.826 0.435 -5.257 1.00 0.00 N ATOM 208 CA MET A 14 8.616 0.484 -6.692 1.00 0.00 C ATOM 209 C MET A 14 8.181 -0.884 -7.192 1.00 0.00 C ATOM 210 O MET A 14 8.996 -1.798 -7.344 1.00 0.00 O ATOM 211 CB MET A 14 9.895 0.964 -7.393 1.00 0.00 C ATOM 212 CG MET A 14 9.707 1.342 -8.855 1.00 0.00 C ATOM 213 SD MET A 14 9.855 -0.064 -9.978 1.00 0.00 S ATOM 214 CE MET A 14 11.542 -0.574 -9.648 1.00 0.00 C ATOM 0 H MET A 14 9.778 0.198 -4.977 1.00 0.00 H new ATOM 0 HA MET A 14 7.824 1.196 -6.925 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.288 1.827 -6.855 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.647 0.178 -7.327 1.00 0.00 H new ATOM 0 HG2 MET A 14 8.725 1.799 -8.982 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.446 2.095 -9.127 1.00 0.00 H new ATOM 0 HE1 MET A 14 11.963 -1.037 -10.540 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.138 0.297 -9.375 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.551 -1.292 -8.828 1.00 0.00 H new ATOM 224 N ALA A 15 6.880 -1.020 -7.403 1.00 0.00 N ATOM 225 CA ALA A 15 6.289 -2.275 -7.831 1.00 0.00 C ATOM 226 C ALA A 15 6.580 -2.533 -9.299 1.00 0.00 C ATOM 227 O ALA A 15 6.685 -1.595 -10.091 1.00 0.00 O ATOM 228 CB ALA A 15 4.793 -2.259 -7.583 1.00 0.00 C ATOM 0 H ALA A 15 6.207 -0.263 -7.282 1.00 0.00 H new ATOM 0 HA ALA A 15 6.733 -3.083 -7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.360 -3.205 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.602 -2.119 -6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.340 -1.441 -8.144 1.00 0.00 H new ATOM 234 N GLU A 16 6.700 -3.801 -9.659 1.00 0.00 N ATOM 235 CA GLU A 16 7.071 -4.169 -11.017 1.00 0.00 C ATOM 236 C GLU A 16 6.109 -5.217 -11.565 1.00 0.00 C ATOM 237 O GLU A 16 6.401 -5.905 -12.544 1.00 0.00 O ATOM 238 CB GLU A 16 8.512 -4.688 -11.033 1.00 0.00 C ATOM 239 CG GLU A 16 9.503 -3.689 -10.451 1.00 0.00 C ATOM 240 CD GLU A 16 10.930 -4.197 -10.430 1.00 0.00 C ATOM 241 OE1 GLU A 16 11.263 -5.026 -9.554 1.00 0.00 O ATOM 242 OE2 GLU A 16 11.735 -3.747 -11.275 1.00 0.00 O ATOM 0 H GLU A 16 6.547 -4.591 -9.032 1.00 0.00 H new ATOM 0 HA GLU A 16 7.009 -3.289 -11.658 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.565 -5.618 -10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.798 -4.922 -12.058 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.462 -2.768 -11.032 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.200 -3.438 -9.434 1.00 0.00 H new ATOM 249 N ARG A 17 4.954 -5.318 -10.926 1.00 0.00 N ATOM 250 CA ARG A 17 3.927 -6.272 -11.310 1.00 0.00 C ATOM 251 C ARG A 17 2.562 -5.600 -11.333 1.00 0.00 C ATOM 252 O ARG A 17 2.306 -4.689 -10.548 1.00 0.00 O ATOM 253 CB ARG A 17 3.909 -7.446 -10.330 1.00 0.00 C ATOM 254 CG ARG A 17 5.102 -8.378 -10.468 1.00 0.00 C ATOM 255 CD ARG A 17 5.347 -9.165 -9.189 1.00 0.00 C ATOM 256 NE ARG A 17 4.144 -9.836 -8.692 1.00 0.00 N ATOM 257 CZ ARG A 17 4.170 -10.910 -7.906 1.00 0.00 C ATOM 258 NH1 ARG A 17 5.325 -11.468 -7.571 1.00 0.00 N ATOM 259 NH2 ARG A 17 3.040 -11.412 -7.432 1.00 0.00 N ATOM 0 H ARG A 17 4.702 -4.739 -10.125 1.00 0.00 H new ATOM 0 HA ARG A 17 4.154 -6.643 -12.309 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.879 -7.057 -9.312 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.993 -8.018 -10.480 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.932 -9.068 -11.294 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.991 -7.798 -10.715 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.123 -9.909 -9.369 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.724 -8.491 -8.420 1.00 0.00 H new ATOM 0 HE ARG A 17 3.236 -9.459 -8.963 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.201 -11.074 -7.916 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.338 -12.291 -6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.149 -10.976 -7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.061 -12.235 -6.830 1.00 0.00 H new ATOM 273 N GLU A 18 1.697 -6.054 -12.233 1.00 0.00 N ATOM 274 CA GLU A 18 0.337 -5.517 -12.349 1.00 0.00 C ATOM 275 C GLU A 18 -0.482 -5.809 -11.094 1.00 0.00 C ATOM 276 O GLU A 18 -1.443 -5.106 -10.788 1.00 0.00 O ATOM 277 CB GLU A 18 -0.376 -6.116 -13.563 1.00 0.00 C ATOM 278 CG GLU A 18 0.263 -5.769 -14.895 1.00 0.00 C ATOM 279 CD GLU A 18 -0.384 -6.510 -16.045 1.00 0.00 C ATOM 280 OE1 GLU A 18 -1.502 -6.131 -16.454 1.00 0.00 O ATOM 281 OE2 GLU A 18 0.211 -7.494 -16.532 1.00 0.00 O ATOM 0 H GLU A 18 1.911 -6.797 -12.899 1.00 0.00 H new ATOM 0 HA GLU A 18 0.423 -4.437 -12.471 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.401 -7.201 -13.457 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.410 -5.772 -13.569 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.185 -4.695 -15.066 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.326 -6.010 -14.861 1.00 0.00 H new ATOM 288 N ASP A 19 -0.096 -6.855 -10.379 1.00 0.00 N ATOM 289 CA ASP A 19 -0.810 -7.273 -9.182 1.00 0.00 C ATOM 290 C ASP A 19 -0.211 -6.622 -7.936 1.00 0.00 C ATOM 291 O ASP A 19 -0.693 -6.819 -6.822 1.00 0.00 O ATOM 292 CB ASP A 19 -0.783 -8.801 -9.057 1.00 0.00 C ATOM 293 CG ASP A 19 0.622 -9.362 -8.928 1.00 0.00 C ATOM 294 OD1 ASP A 19 1.387 -9.312 -9.918 1.00 0.00 O ATOM 295 OD2 ASP A 19 0.963 -9.872 -7.844 1.00 0.00 O ATOM 0 H ASP A 19 0.713 -7.433 -10.609 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.847 -6.947 -9.268 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.368 -9.099 -8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.265 -9.240 -9.931 1.00 0.00 H new ATOM 300 N GLU A 20 0.834 -5.835 -8.139 1.00 0.00 N ATOM 301 CA GLU A 20 1.471 -5.100 -7.055 1.00 0.00 C ATOM 302 C GLU A 20 0.992 -3.653 -7.034 1.00 0.00 C ATOM 303 O GLU A 20 0.304 -3.203 -7.949 1.00 0.00 O ATOM 304 CB GLU A 20 2.991 -5.108 -7.191 1.00 0.00 C ATOM 305 CG GLU A 20 3.650 -6.426 -6.834 1.00 0.00 C ATOM 306 CD GLU A 20 5.163 -6.350 -6.931 1.00 0.00 C ATOM 307 OE1 GLU A 20 5.681 -6.034 -8.027 1.00 0.00 O ATOM 308 OE2 GLU A 20 5.843 -6.603 -5.915 1.00 0.00 O ATOM 0 H GLU A 20 1.263 -5.688 -9.053 1.00 0.00 H new ATOM 0 HA GLU A 20 1.194 -5.598 -6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.252 -4.853 -8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.404 -4.326 -6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.366 -6.711 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.283 -7.207 -7.500 1.00 0.00 H new ATOM 315 N LEU A 21 1.353 -2.936 -5.986 1.00 0.00 N ATOM 316 CA LEU A 21 1.062 -1.517 -5.890 1.00 0.00 C ATOM 317 C LEU A 21 2.335 -0.757 -5.543 1.00 0.00 C ATOM 318 O LEU A 21 2.973 -1.039 -4.530 1.00 0.00 O ATOM 319 CB LEU A 21 -0.003 -1.267 -4.825 1.00 0.00 C ATOM 320 CG LEU A 21 -0.512 0.174 -4.747 1.00 0.00 C ATOM 321 CD1 LEU A 21 -1.246 0.542 -6.025 1.00 0.00 C ATOM 322 CD2 LEU A 21 -1.414 0.357 -3.540 1.00 0.00 C ATOM 0 H LEU A 21 1.853 -3.317 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 21 0.683 -1.166 -6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.850 -1.926 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.404 -1.546 -3.853 1.00 0.00 H new ATOM 0 HG LEU A 21 0.344 0.839 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.603 1.570 -5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.568 0.449 -6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.094 -0.128 -6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.766 1.388 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.268 -0.315 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.856 0.130 -2.631 1.00 0.00 H new ATOM 334 N SER A 22 2.717 0.189 -6.388 1.00 0.00 N ATOM 335 CA SER A 22 3.918 0.962 -6.141 1.00 0.00 C ATOM 336 C SER A 22 3.629 2.083 -5.156 1.00 0.00 C ATOM 337 O SER A 22 2.725 2.891 -5.362 1.00 0.00 O ATOM 338 CB SER A 22 4.485 1.515 -7.439 1.00 0.00 C ATOM 339 OG SER A 22 5.801 2.014 -7.254 1.00 0.00 O ATOM 0 H SER A 22 2.216 0.436 -7.242 1.00 0.00 H new ATOM 0 HA SER A 22 4.668 0.303 -5.704 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.494 0.732 -8.198 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.840 2.312 -7.810 1.00 0.00 H new ATOM 0 HG SER A 22 6.108 1.799 -6.349 1.00 0.00 H new ATOM 345 N LEU A 23 4.397 2.113 -4.084 1.00 0.00 N ATOM 346 CA LEU A 23 4.193 3.079 -3.026 1.00 0.00 C ATOM 347 C LEU A 23 5.322 4.098 -3.008 1.00 0.00 C ATOM 348 O LEU A 23 6.489 3.744 -3.140 1.00 0.00 O ATOM 349 CB LEU A 23 4.119 2.365 -1.679 1.00 0.00 C ATOM 350 CG LEU A 23 3.107 1.222 -1.597 1.00 0.00 C ATOM 351 CD1 LEU A 23 3.085 0.641 -0.194 1.00 0.00 C ATOM 352 CD2 LEU A 23 1.719 1.692 -1.993 1.00 0.00 C ATOM 0 H LEU A 23 5.174 1.472 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 23 3.255 3.602 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.107 1.971 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.876 3.099 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 23 3.414 0.446 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.361 -0.172 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.075 0.260 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.804 1.418 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.020 0.859 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.399 2.489 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.740 2.066 -3.017 1.00 0.00 H new ATOM 364 N ILE A 24 4.971 5.357 -2.838 1.00 0.00 N ATOM 365 CA ILE A 24 5.954 6.422 -2.814 1.00 0.00 C ATOM 366 C ILE A 24 6.010 7.044 -1.435 1.00 0.00 C ATOM 367 O ILE A 24 5.016 7.596 -0.959 1.00 0.00 O ATOM 368 CB ILE A 24 5.619 7.520 -3.845 1.00 0.00 C ATOM 369 CG1 ILE A 24 5.642 6.948 -5.264 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.578 8.697 -3.706 1.00 0.00 C ATOM 371 CD1 ILE A 24 6.990 6.406 -5.692 1.00 0.00 C ATOM 0 H ILE A 24 4.008 5.669 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 24 6.920 5.986 -3.069 1.00 0.00 H new ATOM 0 HB ILE A 24 4.612 7.887 -3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.903 6.150 -5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.337 7.727 -5.963 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.326 9.461 -4.442 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.495 9.117 -2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.600 8.356 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.921 6.020 -6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.731 7.205 -5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.290 5.603 -5.019 1.00 0.00 H new ATOM 383 N LYS A 25 7.155 6.935 -0.780 1.00 0.00 N ATOM 384 CA LYS A 25 7.345 7.588 0.507 1.00 0.00 C ATOM 385 C LYS A 25 6.979 9.065 0.381 1.00 0.00 C ATOM 386 O LYS A 25 7.556 9.790 -0.431 1.00 0.00 O ATOM 387 CB LYS A 25 8.793 7.427 0.990 1.00 0.00 C ATOM 388 CG LYS A 25 9.107 8.222 2.248 1.00 0.00 C ATOM 389 CD LYS A 25 10.476 7.877 2.817 1.00 0.00 C ATOM 390 CE LYS A 25 11.578 7.995 1.775 1.00 0.00 C ATOM 391 NZ LYS A 25 12.930 7.915 2.391 1.00 0.00 N ATOM 0 H LYS A 25 7.961 6.406 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 25 6.695 7.119 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.989 6.372 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.469 7.739 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.067 9.288 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.343 8.026 3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.697 8.540 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.458 6.861 3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.467 7.201 1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.476 8.941 1.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.655 7.999 1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.045 8.688 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.037 7.002 2.877 1.00 0.00 H new ATOM 405 N GLY A 26 6.007 9.497 1.170 1.00 0.00 N ATOM 406 CA GLY A 26 5.515 10.857 1.057 1.00 0.00 C ATOM 407 C GLY A 26 4.072 10.924 0.584 1.00 0.00 C ATOM 408 O GLY A 26 3.418 11.962 0.711 1.00 0.00 O ATOM 0 H GLY A 26 5.550 8.932 1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.598 11.350 2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.146 11.410 0.362 1.00 0.00 H new ATOM 412 N THR A 27 3.564 9.823 0.040 1.00 0.00 N ATOM 413 CA THR A 27 2.198 9.797 -0.471 1.00 0.00 C ATOM 414 C THR A 27 1.278 8.990 0.441 1.00 0.00 C ATOM 415 O THR A 27 1.691 8.532 1.510 1.00 0.00 O ATOM 416 CB THR A 27 2.131 9.216 -1.900 1.00 0.00 C ATOM 417 OG1 THR A 27 2.624 7.872 -1.917 1.00 0.00 O ATOM 418 CG2 THR A 27 2.931 10.065 -2.876 1.00 0.00 C ATOM 0 H THR A 27 4.072 8.944 -0.058 1.00 0.00 H new ATOM 0 HA THR A 27 1.859 10.833 -0.497 1.00 0.00 H new ATOM 0 HB THR A 27 1.086 9.221 -2.211 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.546 7.858 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.865 9.631 -3.874 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.528 11.077 -2.893 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.974 10.095 -2.562 1.00 0.00 H new ATOM 426 N LYS A 28 0.036 8.819 0.006 1.00 0.00 N ATOM 427 CA LYS A 28 -0.975 8.098 0.774 1.00 0.00 C ATOM 428 C LYS A 28 -1.801 7.204 -0.150 1.00 0.00 C ATOM 429 O LYS A 28 -2.197 7.626 -1.237 1.00 0.00 O ATOM 430 CB LYS A 28 -1.887 9.101 1.487 1.00 0.00 C ATOM 431 CG LYS A 28 -3.049 8.473 2.238 1.00 0.00 C ATOM 432 CD LYS A 28 -4.070 9.526 2.650 1.00 0.00 C ATOM 433 CE LYS A 28 -4.683 10.221 1.440 1.00 0.00 C ATOM 434 NZ LYS A 28 -5.567 11.352 1.833 1.00 0.00 N ATOM 0 H LYS A 28 -0.300 9.175 -0.889 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.481 7.470 1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.289 9.682 2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.282 9.801 0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.529 7.723 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.677 7.957 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.859 9.057 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.591 10.266 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.887 10.591 0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.256 9.498 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.963 11.796 0.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.342 10.996 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.015 12.055 2.365 1.00 0.00 H new ATOM 448 N VAL A 29 -2.050 5.974 0.282 1.00 0.00 N ATOM 449 CA VAL A 29 -2.837 5.033 -0.506 1.00 0.00 C ATOM 450 C VAL A 29 -4.133 4.686 0.225 1.00 0.00 C ATOM 451 O VAL A 29 -4.268 4.947 1.424 1.00 0.00 O ATOM 452 CB VAL A 29 -2.046 3.736 -0.824 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.620 4.080 -1.225 1.00 0.00 C ATOM 454 CG2 VAL A 29 -2.061 2.755 0.347 1.00 0.00 C ATOM 0 H VAL A 29 -1.719 5.605 1.173 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.071 5.519 -1.453 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.540 3.240 -1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.073 3.163 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.634 4.716 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.129 4.607 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.496 1.862 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.608 3.224 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.090 2.478 0.577 1.00 0.00 H new ATOM 464 N ILE A 30 -5.088 4.121 -0.499 1.00 0.00 N ATOM 465 CA ILE A 30 -6.365 3.736 0.083 1.00 0.00 C ATOM 466 C ILE A 30 -6.401 2.235 0.346 1.00 0.00 C ATOM 467 O ILE A 30 -6.419 1.432 -0.588 1.00 0.00 O ATOM 468 CB ILE A 30 -7.545 4.121 -0.835 1.00 0.00 C ATOM 469 CG1 ILE A 30 -7.552 5.628 -1.085 1.00 0.00 C ATOM 470 CG2 ILE A 30 -8.869 3.671 -0.231 1.00 0.00 C ATOM 471 CD1 ILE A 30 -7.776 6.459 0.160 1.00 0.00 C ATOM 0 H ILE A 30 -5.002 3.918 -1.495 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.468 4.275 1.025 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.419 3.611 -1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.602 5.915 -1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.331 5.862 -1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.686 3.953 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.862 2.588 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.008 4.149 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.767 7.517 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.740 6.202 0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.983 6.257 0.880 1.00 0.00 H new ATOM 483 N VAL A 31 -6.404 1.863 1.617 1.00 0.00 N ATOM 484 CA VAL A 31 -6.405 0.463 2.008 1.00 0.00 C ATOM 485 C VAL A 31 -7.826 -0.029 2.268 1.00 0.00 C ATOM 486 O VAL A 31 -8.456 0.343 3.256 1.00 0.00 O ATOM 487 CB VAL A 31 -5.549 0.241 3.272 1.00 0.00 C ATOM 488 CG1 VAL A 31 -5.489 -1.233 3.631 1.00 0.00 C ATOM 489 CG2 VAL A 31 -4.150 0.804 3.076 1.00 0.00 C ATOM 0 H VAL A 31 -6.406 2.517 2.400 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.975 -0.106 1.183 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.019 0.772 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.880 -1.365 4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.497 -1.603 3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.047 -1.791 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.561 0.638 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.672 0.305 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.213 1.874 2.876 1.00 0.00 H new ATOM 499 N MET A 32 -8.325 -0.867 1.375 1.00 0.00 N ATOM 500 CA MET A 32 -9.683 -1.368 1.472 1.00 0.00 C ATOM 501 C MET A 32 -9.723 -2.718 2.179 1.00 0.00 C ATOM 502 O MET A 32 -10.259 -2.833 3.276 1.00 0.00 O ATOM 503 CB MET A 32 -10.280 -1.492 0.075 1.00 0.00 C ATOM 504 CG MET A 32 -10.483 -0.152 -0.612 1.00 0.00 C ATOM 505 SD MET A 32 -10.615 -0.307 -2.403 1.00 0.00 S ATOM 506 CE MET A 32 -9.019 -1.028 -2.769 1.00 0.00 C ATOM 0 H MET A 32 -7.805 -1.216 0.570 1.00 0.00 H new ATOM 0 HA MET A 32 -10.270 -0.663 2.061 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.626 -2.112 -0.538 1.00 0.00 H new ATOM 0 HB3 MET A 32 -11.238 -2.008 0.141 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.386 0.318 -0.224 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.650 0.508 -0.368 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.708 -0.734 -3.771 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.286 -0.676 -2.044 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.090 -2.114 -2.715 1.00 0.00 H new ATOM 516 N GLU A 33 -9.127 -3.727 1.555 1.00 0.00 N ATOM 517 CA GLU A 33 -9.166 -5.082 2.088 1.00 0.00 C ATOM 518 C GLU A 33 -7.827 -5.432 2.727 1.00 0.00 C ATOM 519 O GLU A 33 -6.767 -5.165 2.153 1.00 0.00 O ATOM 520 CB GLU A 33 -9.499 -6.076 0.967 1.00 0.00 C ATOM 521 CG GLU A 33 -9.752 -7.493 1.453 1.00 0.00 C ATOM 522 CD GLU A 33 -10.946 -7.578 2.380 1.00 0.00 C ATOM 523 OE1 GLU A 33 -12.078 -7.760 1.883 1.00 0.00 O ATOM 524 OE2 GLU A 33 -10.758 -7.467 3.613 1.00 0.00 O ATOM 0 H GLU A 33 -8.611 -3.632 0.680 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.942 -5.142 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.381 -5.723 0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.677 -6.090 0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.914 -8.146 0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.866 -7.861 1.971 1.00 0.00 H new ATOM 531 N LYS A 34 -7.875 -6.028 3.913 1.00 0.00 N ATOM 532 CA LYS A 34 -6.659 -6.361 4.645 1.00 0.00 C ATOM 533 C LYS A 34 -6.729 -7.764 5.227 1.00 0.00 C ATOM 534 O LYS A 34 -7.763 -8.183 5.754 1.00 0.00 O ATOM 535 CB LYS A 34 -6.406 -5.369 5.787 1.00 0.00 C ATOM 536 CG LYS A 34 -6.249 -3.925 5.340 1.00 0.00 C ATOM 537 CD LYS A 34 -5.778 -3.027 6.479 1.00 0.00 C ATOM 538 CE LYS A 34 -6.614 -3.236 7.716 1.00 0.00 C ATOM 539 NZ LYS A 34 -6.233 -2.332 8.831 1.00 0.00 N ATOM 0 H LYS A 34 -8.740 -6.290 4.387 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.839 -6.307 3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.233 -5.430 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.506 -5.671 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.535 -3.875 4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.201 -3.557 4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.732 -3.237 6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.834 -1.983 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.664 -3.078 7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.516 -4.271 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.088 -2.025 9.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.605 -2.837 9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.739 -1.500 8.450 1.00 0.00 H new ATOM 553 N CYS A 35 -5.627 -8.485 5.117 1.00 0.00 N ATOM 554 CA CYS A 35 -5.468 -9.763 5.790 1.00 0.00 C ATOM 555 C CYS A 35 -4.633 -9.560 7.049 1.00 0.00 C ATOM 556 O CYS A 35 -3.720 -8.732 7.062 1.00 0.00 O ATOM 557 CB CYS A 35 -4.805 -10.776 4.851 1.00 0.00 C ATOM 558 SG CYS A 35 -5.794 -11.168 3.387 1.00 0.00 S ATOM 0 H CYS A 35 -4.820 -8.203 4.561 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.445 -10.157 6.070 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.839 -10.384 4.532 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.609 -11.695 5.403 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.156 -12.029 2.650 1.00 0.00 H new ATOM 564 N SER A 36 -4.955 -10.296 8.106 1.00 0.00 N ATOM 565 CA SER A 36 -4.273 -10.137 9.386 1.00 0.00 C ATOM 566 C SER A 36 -2.786 -10.453 9.254 1.00 0.00 C ATOM 567 O SER A 36 -1.942 -9.819 9.889 1.00 0.00 O ATOM 568 CB SER A 36 -4.918 -11.044 10.435 1.00 0.00 C ATOM 569 OG SER A 36 -6.322 -10.837 10.488 1.00 0.00 O ATOM 0 H SER A 36 -5.684 -11.009 8.103 1.00 0.00 H new ATOM 0 HA SER A 36 -4.370 -9.099 9.703 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.709 -12.087 10.198 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.480 -10.845 11.413 1.00 0.00 H new ATOM 0 HG SER A 36 -6.715 -11.428 11.164 1.00 0.00 H new ATOM 575 N ASP A 37 -2.476 -11.433 8.420 1.00 0.00 N ATOM 576 CA ASP A 37 -1.095 -11.785 8.137 1.00 0.00 C ATOM 577 C ASP A 37 -0.878 -11.829 6.633 1.00 0.00 C ATOM 578 O ASP A 37 -1.721 -12.336 5.890 1.00 0.00 O ATOM 579 CB ASP A 37 -0.713 -13.126 8.785 1.00 0.00 C ATOM 580 CG ASP A 37 -1.540 -14.295 8.289 1.00 0.00 C ATOM 581 OD1 ASP A 37 -2.694 -14.450 8.743 1.00 0.00 O ATOM 582 OD2 ASP A 37 -1.031 -15.076 7.460 1.00 0.00 O ATOM 0 H ASP A 37 -3.165 -12.000 7.926 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.447 -11.022 8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.340 -13.328 8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.827 -13.044 9.866 1.00 0.00 H new ATOM 587 N GLY A 38 0.240 -11.274 6.191 1.00 0.00 N ATOM 588 CA GLY A 38 0.516 -11.178 4.772 1.00 0.00 C ATOM 589 C GLY A 38 0.526 -9.741 4.299 1.00 0.00 C ATOM 590 O GLY A 38 0.762 -8.823 5.089 1.00 0.00 O ATOM 0 H GLY A 38 0.966 -10.886 6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.480 -11.638 4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.236 -11.739 4.216 1.00 0.00 H new ATOM 594 N TRP A 39 0.265 -9.536 3.019 1.00 0.00 N ATOM 595 CA TRP A 39 0.246 -8.194 2.463 1.00 0.00 C ATOM 596 C TRP A 39 -1.177 -7.773 2.110 1.00 0.00 C ATOM 597 O TRP A 39 -2.067 -8.614 1.974 1.00 0.00 O ATOM 598 CB TRP A 39 1.187 -8.082 1.252 1.00 0.00 C ATOM 599 CG TRP A 39 0.916 -9.029 0.111 1.00 0.00 C ATOM 600 CD1 TRP A 39 0.269 -10.234 0.152 1.00 0.00 C ATOM 601 CD2 TRP A 39 1.330 -8.846 -1.247 1.00 0.00 C ATOM 602 NE1 TRP A 39 0.254 -10.803 -1.099 1.00 0.00 N ATOM 603 CE2 TRP A 39 0.897 -9.970 -1.974 1.00 0.00 C ATOM 604 CE3 TRP A 39 2.022 -7.835 -1.920 1.00 0.00 C ATOM 605 CZ2 TRP A 39 1.138 -10.113 -3.338 1.00 0.00 C ATOM 606 CZ3 TRP A 39 2.259 -7.975 -3.273 1.00 0.00 C ATOM 607 CH2 TRP A 39 1.819 -9.107 -3.971 1.00 0.00 C ATOM 0 H TRP A 39 0.064 -10.278 2.348 1.00 0.00 H new ATOM 0 HA TRP A 39 0.614 -7.506 3.224 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.135 -7.062 0.871 1.00 0.00 H new ATOM 0 HB3 TRP A 39 2.209 -8.243 1.596 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -0.166 -10.673 1.037 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -0.168 -11.701 -1.337 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.366 -6.959 -1.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.800 -10.986 -3.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.792 -7.199 -3.802 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.021 -9.188 -5.029 1.00 0.00 H new ATOM 618 N TRP A 40 -1.383 -6.469 1.977 1.00 0.00 N ATOM 619 CA TRP A 40 -2.722 -5.918 1.815 1.00 0.00 C ATOM 620 C TRP A 40 -2.964 -5.469 0.381 1.00 0.00 C ATOM 621 O TRP A 40 -2.024 -5.341 -0.402 1.00 0.00 O ATOM 622 CB TRP A 40 -2.924 -4.731 2.762 1.00 0.00 C ATOM 623 CG TRP A 40 -2.908 -5.106 4.214 1.00 0.00 C ATOM 624 CD1 TRP A 40 -3.133 -6.343 4.746 1.00 0.00 C ATOM 625 CD2 TRP A 40 -2.684 -4.230 5.322 1.00 0.00 C ATOM 626 NE1 TRP A 40 -3.050 -6.292 6.111 1.00 0.00 N ATOM 627 CE2 TRP A 40 -2.781 -5.008 6.491 1.00 0.00 C ATOM 628 CE3 TRP A 40 -2.413 -2.865 5.445 1.00 0.00 C ATOM 629 CZ2 TRP A 40 -2.614 -4.471 7.759 1.00 0.00 C ATOM 630 CZ3 TRP A 40 -2.251 -2.332 6.707 1.00 0.00 C ATOM 631 CH2 TRP A 40 -2.356 -3.135 7.849 1.00 0.00 C ATOM 0 H TRP A 40 -0.638 -5.772 1.978 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.437 -6.705 2.057 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.142 -3.994 2.578 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.875 -4.251 2.531 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.346 -7.233 4.173 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.170 -7.084 6.742 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.332 -2.239 4.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.686 -5.088 8.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.040 -1.278 6.816 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.230 -2.686 8.823 1.00 0.00 H new ATOM 642 N ARG A 41 -4.225 -5.220 0.049 1.00 0.00 N ATOM 643 CA ARG A 41 -4.587 -4.752 -1.280 1.00 0.00 C ATOM 644 C ARG A 41 -5.194 -3.357 -1.195 1.00 0.00 C ATOM 645 O ARG A 41 -6.234 -3.157 -0.564 1.00 0.00 O ATOM 646 CB ARG A 41 -5.570 -5.722 -1.939 1.00 0.00 C ATOM 647 CG ARG A 41 -5.816 -5.439 -3.414 1.00 0.00 C ATOM 648 CD ARG A 41 -6.763 -6.456 -4.029 1.00 0.00 C ATOM 649 NE ARG A 41 -6.883 -6.288 -5.478 1.00 0.00 N ATOM 650 CZ ARG A 41 -7.964 -6.619 -6.183 1.00 0.00 C ATOM 651 NH1 ARG A 41 -9.022 -7.145 -5.579 1.00 0.00 N ATOM 652 NH2 ARG A 41 -7.975 -6.431 -7.497 1.00 0.00 N ATOM 0 H ARG A 41 -5.014 -5.335 0.685 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.687 -4.706 -1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.190 -6.738 -1.832 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.520 -5.679 -1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.232 -4.438 -3.528 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.867 -5.453 -3.951 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.407 -7.462 -3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.747 -6.359 -3.570 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.088 -5.892 -5.980 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.010 -7.298 -4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.847 -7.397 -6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.158 -6.035 -7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.800 -6.683 -8.041 1.00 0.00 H new ATOM 666 N GLY A 42 -4.539 -2.400 -1.825 1.00 0.00 N ATOM 667 CA GLY A 42 -4.992 -1.031 -1.763 1.00 0.00 C ATOM 668 C GLY A 42 -4.899 -0.341 -3.103 1.00 0.00 C ATOM 669 O GLY A 42 -4.377 -0.905 -4.063 1.00 0.00 O ATOM 0 H GLY A 42 -3.697 -2.548 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.024 -1.007 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.395 -0.485 -1.032 1.00 0.00 H new ATOM 673 N SER A 43 -5.405 0.877 -3.173 1.00 0.00 N ATOM 674 CA SER A 43 -5.369 1.646 -4.404 1.00 0.00 C ATOM 675 C SER A 43 -4.543 2.915 -4.222 1.00 0.00 C ATOM 676 O SER A 43 -4.579 3.554 -3.167 1.00 0.00 O ATOM 677 CB SER A 43 -6.796 1.965 -4.868 1.00 0.00 C ATOM 678 OG SER A 43 -6.861 3.189 -5.576 1.00 0.00 O ATOM 0 H SER A 43 -5.847 1.356 -2.389 1.00 0.00 H new ATOM 0 HA SER A 43 -4.887 1.051 -5.179 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.159 1.158 -5.504 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.457 2.011 -4.003 1.00 0.00 H new ATOM 0 HG SER A 43 -7.785 3.356 -5.856 1.00 0.00 H new ATOM 684 N TYR A 44 -3.781 3.250 -5.250 1.00 0.00 N ATOM 685 CA TYR A 44 -2.946 4.439 -5.255 1.00 0.00 C ATOM 686 C TYR A 44 -3.003 5.077 -6.634 1.00 0.00 C ATOM 687 O TYR A 44 -3.176 4.374 -7.627 1.00 0.00 O ATOM 688 CB TYR A 44 -1.502 4.085 -4.868 1.00 0.00 C ATOM 689 CG TYR A 44 -0.487 5.166 -5.181 1.00 0.00 C ATOM 690 CD1 TYR A 44 -0.447 6.355 -4.456 1.00 0.00 C ATOM 691 CD2 TYR A 44 0.432 4.995 -6.208 1.00 0.00 C ATOM 692 CE1 TYR A 44 0.474 7.342 -4.758 1.00 0.00 C ATOM 693 CE2 TYR A 44 1.357 5.975 -6.512 1.00 0.00 C ATOM 694 CZ TYR A 44 1.374 7.144 -5.786 1.00 0.00 C ATOM 695 OH TYR A 44 2.292 8.126 -6.096 1.00 0.00 O ATOM 0 H TYR A 44 -3.724 2.702 -6.108 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.317 5.151 -4.518 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.467 3.869 -3.800 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.213 3.171 -5.387 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.145 6.508 -3.646 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.423 4.079 -6.780 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.489 8.262 -4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.063 5.825 -7.315 1.00 0.00 H new ATOM 0 HH TYR A 44 2.851 7.827 -6.843 1.00 0.00 H new ATOM 705 N ASN A 45 -2.895 6.403 -6.673 1.00 0.00 N ATOM 706 CA ASN A 45 -2.932 7.176 -7.918 1.00 0.00 C ATOM 707 C ASN A 45 -2.210 6.454 -9.057 1.00 0.00 C ATOM 708 O ASN A 45 -0.977 6.403 -9.099 1.00 0.00 O ATOM 709 CB ASN A 45 -2.300 8.551 -7.681 1.00 0.00 C ATOM 710 CG ASN A 45 -2.182 9.379 -8.947 1.00 0.00 C ATOM 711 OD1 ASN A 45 -3.001 9.276 -9.862 1.00 0.00 O ATOM 712 ND2 ASN A 45 -1.156 10.217 -9.002 1.00 0.00 N ATOM 0 H ASN A 45 -2.779 6.977 -5.838 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.974 7.292 -8.215 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.897 9.098 -6.951 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.309 8.419 -7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.023 10.807 -9.824 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.500 10.272 -8.223 1.00 0.00 H new ATOM 719 N GLY A 46 -2.991 5.870 -9.959 1.00 0.00 N ATOM 720 CA GLY A 46 -2.430 5.125 -11.066 1.00 0.00 C ATOM 721 C GLY A 46 -3.131 3.792 -11.280 1.00 0.00 C ATOM 722 O GLY A 46 -3.558 3.484 -12.395 1.00 0.00 O ATOM 0 H GLY A 46 -4.010 5.901 -9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.502 5.721 -11.976 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.370 4.950 -10.883 1.00 0.00 H new ATOM 726 N GLN A 47 -3.265 3.010 -10.208 1.00 0.00 N ATOM 727 CA GLN A 47 -3.872 1.679 -10.279 1.00 0.00 C ATOM 728 C GLN A 47 -4.219 1.155 -8.886 1.00 0.00 C ATOM 729 O GLN A 47 -4.206 1.898 -7.907 1.00 0.00 O ATOM 730 CB GLN A 47 -2.932 0.682 -10.971 1.00 0.00 C ATOM 731 CG GLN A 47 -3.261 0.434 -12.435 1.00 0.00 C ATOM 732 CD GLN A 47 -4.683 -0.055 -12.643 1.00 0.00 C ATOM 733 OE1 GLN A 47 -5.272 -0.694 -11.770 1.00 0.00 O ATOM 734 NE2 GLN A 47 -5.241 0.231 -13.811 1.00 0.00 N ATOM 0 H GLN A 47 -2.959 3.278 -9.273 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.788 1.775 -10.862 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.909 1.051 -10.897 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.968 -0.267 -10.436 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.113 1.356 -12.997 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.566 -0.302 -12.840 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.720 0.763 -14.508 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.191 -0.081 -14.012 1.00 0.00 H new ATOM 743 N VAL A 48 -4.553 -0.123 -8.820 1.00 0.00 N ATOM 744 CA VAL A 48 -4.831 -0.794 -7.558 1.00 0.00 C ATOM 745 C VAL A 48 -3.989 -2.063 -7.486 1.00 0.00 C ATOM 746 O VAL A 48 -3.510 -2.543 -8.515 1.00 0.00 O ATOM 747 CB VAL A 48 -6.329 -1.174 -7.444 1.00 0.00 C ATOM 748 CG1 VAL A 48 -6.622 -2.432 -8.258 1.00 0.00 C ATOM 749 CG2 VAL A 48 -6.753 -1.361 -5.993 1.00 0.00 C ATOM 0 H VAL A 48 -4.639 -0.726 -9.638 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.586 -0.117 -6.739 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.913 -0.349 -7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.678 -2.686 -8.168 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.380 -2.252 -9.306 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.017 -3.257 -7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.809 -1.627 -5.954 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.162 -2.157 -5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.592 -0.433 -5.444 1.00 0.00 H new ATOM 759 N GLY A 49 -3.801 -2.606 -6.297 1.00 0.00 N ATOM 760 CA GLY A 49 -3.116 -3.870 -6.195 1.00 0.00 C ATOM 761 C GLY A 49 -2.591 -4.152 -4.805 1.00 0.00 C ATOM 762 O GLY A 49 -2.989 -3.501 -3.841 1.00 0.00 O ATOM 0 H GLY A 49 -4.106 -2.200 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.796 -4.669 -6.489 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.285 -3.884 -6.900 1.00 0.00 H new ATOM 766 N TRP A 50 -1.697 -5.121 -4.702 1.00 0.00 N ATOM 767 CA TRP A 50 -1.218 -5.588 -3.409 1.00 0.00 C ATOM 768 C TRP A 50 0.100 -4.930 -3.035 1.00 0.00 C ATOM 769 O TRP A 50 0.960 -4.703 -3.884 1.00 0.00 O ATOM 770 CB TRP A 50 -1.044 -7.107 -3.430 1.00 0.00 C ATOM 771 CG TRP A 50 -2.294 -7.860 -3.759 1.00 0.00 C ATOM 772 CD1 TRP A 50 -2.813 -8.076 -5.001 1.00 0.00 C ATOM 773 CD2 TRP A 50 -3.172 -8.511 -2.834 1.00 0.00 C ATOM 774 NE1 TRP A 50 -3.965 -8.814 -4.907 1.00 0.00 N ATOM 775 CE2 TRP A 50 -4.208 -9.095 -3.586 1.00 0.00 C ATOM 776 CE3 TRP A 50 -3.184 -8.654 -1.442 1.00 0.00 C ATOM 777 CZ2 TRP A 50 -5.244 -9.812 -2.994 1.00 0.00 C ATOM 778 CZ3 TRP A 50 -4.213 -9.369 -0.855 1.00 0.00 C ATOM 779 CH2 TRP A 50 -5.230 -9.939 -1.630 1.00 0.00 C ATOM 0 H TRP A 50 -1.286 -5.602 -5.502 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.962 -5.315 -2.661 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.275 -7.364 -4.159 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.681 -7.434 -2.455 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -2.380 -7.718 -5.924 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.547 -9.107 -5.692 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.405 -8.214 -0.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.031 -10.252 -3.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.232 -9.489 0.218 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.020 -10.490 -1.142 1.00 0.00 H new ATOM 790 N PHE A 51 0.251 -4.632 -1.755 1.00 0.00 N ATOM 791 CA PHE A 51 1.485 -4.075 -1.235 1.00 0.00 C ATOM 792 C PHE A 51 1.777 -4.671 0.141 1.00 0.00 C ATOM 793 O PHE A 51 0.855 -5.005 0.888 1.00 0.00 O ATOM 794 CB PHE A 51 1.399 -2.541 -1.148 1.00 0.00 C ATOM 795 CG PHE A 51 0.352 -2.031 -0.191 1.00 0.00 C ATOM 796 CD1 PHE A 51 0.616 -1.961 1.167 1.00 0.00 C ATOM 797 CD2 PHE A 51 -0.895 -1.628 -0.645 1.00 0.00 C ATOM 798 CE1 PHE A 51 -0.337 -1.502 2.050 1.00 0.00 C ATOM 799 CE2 PHE A 51 -1.852 -1.168 0.237 1.00 0.00 C ATOM 800 CZ PHE A 51 -1.572 -1.104 1.586 1.00 0.00 C ATOM 0 H PHE A 51 -0.475 -4.769 -1.052 1.00 0.00 H new ATOM 0 HA PHE A 51 2.298 -4.328 -1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.371 -2.151 -0.846 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.191 -2.144 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.582 -2.270 1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.120 -1.675 -1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.116 -1.454 3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.820 -0.858 -0.129 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.319 -0.743 2.277 1.00 0.00 H new ATOM 810 N PRO A 52 3.059 -4.840 0.485 1.00 0.00 N ATOM 811 CA PRO A 52 3.459 -5.348 1.797 1.00 0.00 C ATOM 812 C PRO A 52 3.016 -4.414 2.920 1.00 0.00 C ATOM 813 O PRO A 52 3.233 -3.201 2.855 1.00 0.00 O ATOM 814 CB PRO A 52 4.987 -5.421 1.718 1.00 0.00 C ATOM 815 CG PRO A 52 5.303 -5.382 0.262 1.00 0.00 C ATOM 816 CD PRO A 52 4.216 -4.568 -0.374 1.00 0.00 C ATOM 0 HA PRO A 52 3.001 -6.311 2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.449 -4.586 2.244 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.362 -6.335 2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.281 -4.933 0.087 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.334 -6.387 -0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.464 -3.507 -0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.034 -4.872 -1.405 1.00 0.00 H new ATOM 824 N SER A 53 2.420 -4.995 3.952 1.00 0.00 N ATOM 825 CA SER A 53 1.805 -4.238 5.041 1.00 0.00 C ATOM 826 C SER A 53 2.827 -3.441 5.863 1.00 0.00 C ATOM 827 O SER A 53 2.456 -2.581 6.661 1.00 0.00 O ATOM 828 CB SER A 53 1.034 -5.205 5.939 1.00 0.00 C ATOM 829 OG SER A 53 1.707 -6.454 6.029 1.00 0.00 O ATOM 0 H SER A 53 2.348 -6.007 4.061 1.00 0.00 H new ATOM 0 HA SER A 53 1.129 -3.505 4.602 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.922 -4.774 6.934 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.030 -5.355 5.542 1.00 0.00 H new ATOM 0 HG SER A 53 1.130 -7.163 5.675 1.00 0.00 H new ATOM 835 N ASN A 54 4.107 -3.721 5.652 1.00 0.00 N ATOM 836 CA ASN A 54 5.173 -3.072 6.415 1.00 0.00 C ATOM 837 C ASN A 54 5.576 -1.736 5.801 1.00 0.00 C ATOM 838 O ASN A 54 6.392 -1.010 6.365 1.00 0.00 O ATOM 839 CB ASN A 54 6.400 -3.984 6.497 1.00 0.00 C ATOM 840 CG ASN A 54 6.146 -5.237 7.309 1.00 0.00 C ATOM 841 OD1 ASN A 54 5.390 -5.223 8.282 1.00 0.00 O ATOM 842 ND2 ASN A 54 6.770 -6.330 6.904 1.00 0.00 N ATOM 0 H ASN A 54 4.435 -4.393 4.959 1.00 0.00 H new ATOM 0 HA ASN A 54 4.785 -2.885 7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.706 -4.265 5.489 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.229 -3.432 6.939 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.634 -7.209 7.403 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.387 -6.294 6.093 1.00 0.00 H new ATOM 849 N TYR A 55 5.005 -1.404 4.651 1.00 0.00 N ATOM 850 CA TYR A 55 5.392 -0.188 3.944 1.00 0.00 C ATOM 851 C TYR A 55 4.342 0.912 4.074 1.00 0.00 C ATOM 852 O TYR A 55 4.419 1.926 3.380 1.00 0.00 O ATOM 853 CB TYR A 55 5.647 -0.482 2.461 1.00 0.00 C ATOM 854 CG TYR A 55 6.898 -1.295 2.199 1.00 0.00 C ATOM 855 CD1 TYR A 55 6.863 -2.682 2.188 1.00 0.00 C ATOM 856 CD2 TYR A 55 8.116 -0.669 1.956 1.00 0.00 C ATOM 857 CE1 TYR A 55 8.001 -3.427 1.941 1.00 0.00 C ATOM 858 CE2 TYR A 55 9.262 -1.407 1.707 1.00 0.00 C ATOM 859 CZ TYR A 55 9.198 -2.788 1.702 1.00 0.00 C ATOM 860 OH TYR A 55 10.331 -3.532 1.453 1.00 0.00 O ATOM 0 H TYR A 55 4.279 -1.953 4.190 1.00 0.00 H new ATOM 0 HA TYR A 55 6.312 0.168 4.408 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.788 -1.015 2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.720 0.462 1.922 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.928 -3.190 2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.169 0.410 1.961 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.952 -4.506 1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.200 -0.906 1.518 1.00 0.00 H new ATOM 0 HH TYR A 55 11.091 -2.931 1.303 1.00 0.00 H new ATOM 870 N VAL A 56 3.375 0.737 4.965 1.00 0.00 N ATOM 871 CA VAL A 56 2.314 1.729 5.113 1.00 0.00 C ATOM 872 C VAL A 56 2.088 2.158 6.559 1.00 0.00 C ATOM 873 O VAL A 56 2.326 1.402 7.504 1.00 0.00 O ATOM 874 CB VAL A 56 0.975 1.247 4.528 1.00 0.00 C ATOM 875 CG1 VAL A 56 1.024 1.262 3.011 1.00 0.00 C ATOM 876 CG2 VAL A 56 0.626 -0.138 5.046 1.00 0.00 C ATOM 0 H VAL A 56 3.301 -0.068 5.587 1.00 0.00 H new ATOM 0 HA VAL A 56 2.668 2.591 4.548 1.00 0.00 H new ATOM 0 HB VAL A 56 0.192 1.932 4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.069 0.918 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.218 2.277 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.820 0.602 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.325 -0.457 4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.408 -0.841 4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.544 -0.110 6.133 1.00 0.00 H new ATOM 886 N THR A 57 1.633 3.388 6.697 1.00 0.00 N ATOM 887 CA THR A 57 1.245 3.968 7.965 1.00 0.00 C ATOM 888 C THR A 57 -0.246 4.272 7.954 1.00 0.00 C ATOM 889 O THR A 57 -0.684 5.235 7.325 1.00 0.00 O ATOM 890 CB THR A 57 2.026 5.275 8.231 1.00 0.00 C ATOM 891 OG1 THR A 57 3.392 4.978 8.520 1.00 0.00 O ATOM 892 CG2 THR A 57 1.419 6.081 9.371 1.00 0.00 C ATOM 0 H THR A 57 1.521 4.027 5.910 1.00 0.00 H new ATOM 0 HA THR A 57 1.474 3.252 8.755 1.00 0.00 H new ATOM 0 HB THR A 57 1.965 5.883 7.328 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.880 5.812 8.686 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.000 6.991 9.523 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.391 6.344 9.123 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.431 5.486 10.284 1.00 0.00 H new ATOM 900 N GLU A 58 -1.027 3.434 8.616 1.00 0.00 N ATOM 901 CA GLU A 58 -2.456 3.680 8.729 1.00 0.00 C ATOM 902 C GLU A 58 -2.710 4.901 9.598 1.00 0.00 C ATOM 903 O GLU A 58 -3.125 5.952 9.111 1.00 0.00 O ATOM 904 CB GLU A 58 -3.169 2.463 9.315 1.00 0.00 C ATOM 905 CG GLU A 58 -3.071 1.222 8.445 1.00 0.00 C ATOM 906 CD GLU A 58 -3.875 0.068 9.000 1.00 0.00 C ATOM 907 OE1 GLU A 58 -5.078 -0.025 8.691 1.00 0.00 O ATOM 908 OE2 GLU A 58 -3.308 -0.750 9.755 1.00 0.00 O ATOM 0 H GLU A 58 -0.701 2.586 9.079 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.853 3.865 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.747 2.243 10.296 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.220 2.707 9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.422 1.457 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.026 0.925 8.356 1.00 0.00 H new