USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 413 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 12 ASN : amide:sc= -0.0223 K(o=-0.022,f=-1.3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0.686 (180deg=0.674) USER MOD Single : A 19 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.26) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc=-0.00728 K(o=-0.0073,f=-1) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0901 USER MOD Single : A 38 GLN : amide:sc= -0.0367 X(o=-0.037,f=-0.2) USER MOD Single : A 40 MET CE :methyl -172:sc= -0.0684 (180deg=-0.25) USER MOD Single : A 41 LYS NZ :NH3+ -130:sc= 0.0125 (180deg=0) USER MOD Single : A 42 MET CE :methyl -162:sc= -0.0403 (180deg=-0.697) USER MOD Single : A 45 ASN : amide:sc= -0.0408 K(o=-0.041,f=-1.3!) USER MOD Single : A 49 TYR OH : rot 120:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -59:sc= 0.937 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 11 1.041 0.014 0.687 1.00 49.53 N ATOM 2 CA TRP A 11 1.843 1.142 0.230 1.00 50.07 C ATOM 3 C TRP A 11 1.432 2.431 0.931 1.00 50.51 C ATOM 4 O TRP A 11 0.260 2.808 0.918 1.00 49.49 O ATOM 5 CB TRP A 11 1.718 1.307 -1.286 1.00 49.82 C ATOM 6 CG TRP A 11 0.821 0.291 -1.926 1.00 49.97 C ATOM 7 CD1 TRP A 11 -0.488 0.460 -2.266 1.00 50.03 C ATOM 8 CD2 TRP A 11 1.165 -1.048 -2.302 1.00 49.98 C ATOM 9 NE1 TRP A 11 -0.983 -0.690 -2.830 1.00 49.39 N ATOM 10 CE2 TRP A 11 0.016 -1.631 -2.864 1.00 50.13 C ATOM 11 CE3 TRP A 11 2.337 -1.810 -2.217 1.00 49.88 C ATOM 12 CZ2 TRP A 11 0.000 -2.935 -3.336 1.00 49.88 C ATOM 13 CZ3 TRP A 11 2.321 -3.115 -2.691 1.00 49.88 C ATOM 14 CH2 TRP A 11 1.186 -3.661 -3.235 1.00 49.88 C ATOM 0 HA TRP A 11 2.883 0.934 0.481 1.00 50.07 H new ATOM 0 HB2 TRP A 11 1.338 2.305 -1.505 1.00 49.82 H new ATOM 0 HB3 TRP A 11 2.709 1.238 -1.734 1.00 49.82 H new ATOM 0 HD1 TRP A 11 -1.054 1.367 -2.114 1.00 50.03 H new ATOM 0 HE1 TRP A 11 -1.936 -0.823 -3.168 1.00 49.39 H new ATOM 0 HE3 TRP A 11 3.236 -1.390 -1.791 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 -0.892 -3.369 -3.763 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 3.219 -3.712 -2.630 1.00 49.88 H new ATOM 0 HH2 TRP A 11 1.212 -4.679 -3.594 1.00 49.88 H new ATOM 25 N ASN A 12 2.402 3.102 1.542 1.00 49.53 N ATOM 26 CA ASN A 12 2.146 4.361 2.231 1.00 50.07 C ATOM 27 C ASN A 12 1.808 5.471 1.244 1.00 50.51 C ATOM 28 O ASN A 12 0.871 6.241 1.457 1.00 49.49 O ATOM 29 CB ASN A 12 3.324 4.769 3.097 1.00 49.82 C ATOM 30 CG ASN A 12 3.481 3.935 4.338 1.00 50.55 C ATOM 31 OD1 ASN A 12 2.528 3.304 4.811 1.00 49.45 O ATOM 32 ND2 ASN A 12 4.655 3.994 4.913 1.00 49.38 N ATOM 0 H ASN A 12 3.374 2.794 1.574 1.00 49.53 H new ATOM 0 HA ASN A 12 1.285 4.203 2.880 1.00 50.07 H new ATOM 0 HB2 ASN A 12 4.238 4.701 2.507 1.00 49.82 H new ATOM 0 HB3 ASN A 12 3.207 5.814 3.385 1.00 49.82 H new ATOM 0 HD21 ASN A 12 4.817 3.505 5.793 1.00 49.38 H new ATOM 0 HD22 ASN A 12 5.408 4.529 4.481 1.00 49.38 H new ATOM 39 N THR A 13 2.577 5.548 0.163 1.00 49.53 N ATOM 40 CA THR A 13 2.341 6.544 -0.876 1.00 50.07 C ATOM 41 C THR A 13 2.358 5.910 -2.261 1.00 50.51 C ATOM 42 O THR A 13 2.644 4.722 -2.407 1.00 49.49 O ATOM 43 CB THR A 13 3.387 7.672 -0.825 1.00 50.14 C ATOM 44 OG1 THR A 13 4.680 7.143 -1.142 1.00 49.34 O ATOM 45 CG2 THR A 13 3.427 8.302 0.559 1.00 49.73 C ATOM 0 H THR A 13 3.370 4.932 -0.017 1.00 49.53 H new ATOM 0 HA THR A 13 1.355 6.968 -0.687 1.00 50.07 H new ATOM 0 HB THR A 13 3.110 8.435 -1.552 1.00 50.14 H new ATOM 0 HG1 THR A 13 5.344 7.863 -1.111 1.00 49.34 H new ATOM 0 HG21 THR A 13 4.172 9.097 0.575 1.00 49.73 H new ATOM 0 HG22 THR A 13 2.448 8.717 0.798 1.00 49.73 H new ATOM 0 HG23 THR A 13 3.689 7.544 1.297 1.00 49.73 H new ATOM 53 N LYS A 14 2.051 6.710 -3.276 1.00 49.53 N ATOM 54 CA LYS A 14 2.111 6.252 -4.658 1.00 50.07 C ATOM 55 C LYS A 14 3.524 5.830 -5.038 1.00 50.51 C ATOM 56 O LYS A 14 3.715 4.902 -5.825 1.00 49.49 O ATOM 57 CB LYS A 14 1.615 7.344 -5.607 1.00 49.82 C ATOM 58 CG LYS A 14 0.118 7.614 -5.528 1.00 49.82 C ATOM 59 CD LYS A 14 -0.298 8.713 -6.495 1.00 49.82 C ATOM 60 CE LYS A 14 -1.791 8.991 -6.409 1.00 50.21 C ATOM 61 NZ LYS A 14 -2.207 10.086 -7.328 1.00 49.70 N ATOM 0 H LYS A 14 1.758 7.681 -3.167 1.00 49.53 H new ATOM 0 HA LYS A 14 1.460 5.382 -4.749 1.00 50.07 H new ATOM 0 HB2 LYS A 14 2.150 8.268 -5.389 1.00 49.82 H new ATOM 0 HB3 LYS A 14 1.868 7.062 -6.629 1.00 49.82 H new ATOM 0 HG2 LYS A 14 -0.431 6.700 -5.755 1.00 49.82 H new ATOM 0 HG3 LYS A 14 -0.149 7.902 -4.511 1.00 49.82 H new ATOM 0 HD2 LYS A 14 0.257 9.625 -6.273 1.00 49.82 H new ATOM 0 HD3 LYS A 14 -0.038 8.422 -7.513 1.00 49.82 H new ATOM 0 HE2 LYS A 14 -2.344 8.084 -6.652 1.00 50.21 H new ATOM 0 HE3 LYS A 14 -2.052 9.258 -5.385 1.00 50.21 H new ATOM 0 HZ1 LYS A 14 -3.231 10.244 -7.239 1.00 49.70 H new ATOM 0 HZ2 LYS A 14 -1.699 10.959 -7.080 1.00 49.70 H new ATOM 0 HZ3 LYS A 14 -1.982 9.821 -8.308 1.00 49.70 H new ATOM 75 N GLU A 15 4.512 6.515 -4.475 1.00 49.53 N ATOM 76 CA GLU A 15 5.911 6.195 -4.731 1.00 50.07 C ATOM 77 C GLU A 15 6.293 4.858 -4.108 1.00 50.51 C ATOM 78 O GLU A 15 7.138 4.136 -4.636 1.00 49.49 O ATOM 79 CB GLU A 15 6.821 7.303 -4.198 1.00 49.82 C ATOM 80 CG GLU A 15 6.701 8.626 -4.940 1.00 49.72 C ATOM 81 CD GLU A 15 6.989 8.459 -6.407 1.00 50.62 C ATOM 82 OE1 GLU A 15 8.002 7.887 -6.732 1.00 49.24 O ATOM 83 OE2 GLU A 15 6.145 8.801 -7.200 1.00 49.24 O ATOM 0 H GLU A 15 4.370 7.298 -3.837 1.00 49.53 H new ATOM 0 HA GLU A 15 6.043 6.118 -5.810 1.00 50.07 H new ATOM 0 HB2 GLU A 15 6.593 7.469 -3.145 1.00 49.82 H new ATOM 0 HB3 GLU A 15 7.855 6.963 -4.250 1.00 49.82 H new ATOM 0 HG2 GLU A 15 5.697 9.029 -4.808 1.00 49.72 H new ATOM 0 HG3 GLU A 15 7.394 9.350 -4.511 1.00 49.72 H new ATOM 90 N GLU A 16 5.667 4.536 -2.982 1.00 49.53 N ATOM 91 CA GLU A 16 5.873 3.247 -2.333 1.00 50.07 C ATOM 92 C GLU A 16 5.308 2.109 -3.175 1.00 50.51 C ATOM 93 O GLU A 16 5.901 1.034 -3.258 1.00 49.49 O ATOM 94 CB GLU A 16 5.233 3.238 -0.942 1.00 49.82 C ATOM 95 CG GLU A 16 5.916 4.149 0.068 1.00 49.72 C ATOM 96 CD GLU A 16 7.356 3.765 0.265 1.00 50.62 C ATOM 97 OE1 GLU A 16 7.612 2.616 0.537 1.00 49.24 O ATOM 98 OE2 GLU A 16 8.207 4.590 0.033 1.00 49.24 O ATOM 0 H GLU A 16 5.012 5.151 -2.499 1.00 49.53 H new ATOM 0 HA GLU A 16 6.947 3.095 -2.230 1.00 50.07 H new ATOM 0 HB2 GLU A 16 4.188 3.535 -1.034 1.00 49.82 H new ATOM 0 HB3 GLU A 16 5.241 2.218 -0.558 1.00 49.82 H new ATOM 0 HG2 GLU A 16 5.857 5.183 -0.273 1.00 49.72 H new ATOM 0 HG3 GLU A 16 5.390 4.097 1.021 1.00 49.72 H new ATOM 105 N ALA A 17 4.160 2.353 -3.797 1.00 49.53 N ATOM 106 CA ALA A 17 3.568 1.391 -4.719 1.00 50.07 C ATOM 107 C ALA A 17 4.456 1.181 -5.939 1.00 50.51 C ATOM 108 O ALA A 17 4.596 0.061 -6.431 1.00 49.49 O ATOM 109 CB ALA A 17 2.180 1.847 -5.142 1.00 49.73 C ATOM 0 H ALA A 17 3.620 3.210 -3.679 1.00 49.53 H new ATOM 0 HA ALA A 17 3.479 0.436 -4.200 1.00 50.07 H new ATOM 0 HB1 ALA A 17 1.752 1.118 -5.830 1.00 49.73 H new ATOM 0 HB2 ALA A 17 1.542 1.934 -4.263 1.00 49.73 H new ATOM 0 HB3 ALA A 17 2.250 2.816 -5.637 1.00 49.73 H new ATOM 115 N LYS A 18 5.053 2.264 -6.425 1.00 49.53 N ATOM 116 CA LYS A 18 5.985 2.189 -7.543 1.00 50.07 C ATOM 117 C LYS A 18 7.211 1.360 -7.183 1.00 50.51 C ATOM 118 O LYS A 18 7.679 0.547 -7.980 1.00 49.49 O ATOM 119 CB LYS A 18 6.408 3.591 -7.982 1.00 49.82 C ATOM 120 CG LYS A 18 5.309 4.397 -8.662 1.00 49.82 C ATOM 121 CD LYS A 18 5.783 5.800 -9.007 1.00 49.82 C ATOM 122 CE LYS A 18 4.650 6.646 -9.568 1.00 50.21 C ATOM 123 NZ LYS A 18 5.087 8.039 -9.859 1.00 49.70 N ATOM 0 H LYS A 18 4.907 3.206 -6.061 1.00 49.53 H new ATOM 0 HA LYS A 18 5.474 1.698 -8.371 1.00 50.07 H new ATOM 0 HB2 LYS A 18 6.758 4.142 -7.109 1.00 49.82 H new ATOM 0 HB3 LYS A 18 7.254 3.505 -8.664 1.00 49.82 H new ATOM 0 HG2 LYS A 18 4.989 3.886 -9.570 1.00 49.82 H new ATOM 0 HG3 LYS A 18 4.440 4.456 -8.007 1.00 49.82 H new ATOM 0 HD2 LYS A 18 6.189 6.278 -8.116 1.00 49.82 H new ATOM 0 HD3 LYS A 18 6.592 5.744 -9.735 1.00 49.82 H new ATOM 0 HE2 LYS A 18 4.272 6.186 -10.481 1.00 50.21 H new ATOM 0 HE3 LYS A 18 3.825 6.666 -8.856 1.00 50.21 H new ATOM 0 HZ1 LYS A 18 4.267 8.604 -10.159 1.00 49.70 H new ATOM 0 HZ2 LYS A 18 5.502 8.459 -9.003 1.00 49.70 H new ATOM 0 HZ3 LYS A 18 5.797 8.029 -10.619 1.00 49.70 H new ATOM 137 N GLN A 19 7.729 1.572 -5.978 1.00 49.53 N ATOM 138 CA GLN A 19 8.868 0.805 -5.488 1.00 50.07 C ATOM 139 C GLN A 19 8.546 -0.682 -5.427 1.00 50.51 C ATOM 140 O GLN A 19 9.380 -1.523 -5.765 1.00 49.49 O ATOM 141 CB GLN A 19 9.291 1.300 -4.102 1.00 49.82 C ATOM 142 CG GLN A 19 10.537 0.626 -3.554 1.00 49.82 C ATOM 143 CD GLN A 19 11.771 0.928 -4.383 1.00 50.55 C ATOM 144 OE1 GLN A 19 12.012 2.076 -4.767 1.00 49.45 O ATOM 145 NE2 GLN A 19 12.559 -0.102 -4.668 1.00 49.38 N ATOM 0 H GLN A 19 7.378 2.270 -5.322 1.00 49.53 H new ATOM 0 HA GLN A 19 9.691 0.951 -6.188 1.00 50.07 H new ATOM 0 HB2 GLN A 19 9.464 2.375 -4.150 1.00 49.82 H new ATOM 0 HB3 GLN A 19 8.469 1.140 -3.405 1.00 49.82 H new ATOM 0 HG2 GLN A 19 10.703 0.954 -2.528 1.00 49.82 H new ATOM 0 HG3 GLN A 19 10.379 -0.452 -3.522 1.00 49.82 H new ATOM 0 HE21 GLN A 19 12.322 -1.035 -4.330 1.00 49.38 H new ATOM 0 HE22 GLN A 19 13.402 0.039 -5.225 1.00 49.38 H new ATOM 154 N ALA A 20 7.331 -1.002 -4.994 1.00 49.53 N ATOM 155 CA ALA A 20 6.873 -2.385 -4.950 1.00 50.07 C ATOM 156 C ALA A 20 6.845 -3.000 -6.344 1.00 50.51 C ATOM 157 O ALA A 20 7.241 -4.149 -6.533 1.00 49.49 O ATOM 158 CB ALA A 20 5.497 -2.467 -4.304 1.00 49.73 C ATOM 0 H ALA A 20 6.645 -0.321 -4.668 1.00 49.53 H new ATOM 0 HA ALA A 20 7.579 -2.955 -4.346 1.00 50.07 H new ATOM 0 HB1 ALA A 20 5.168 -3.506 -4.278 1.00 49.73 H new ATOM 0 HB2 ALA A 20 5.549 -2.078 -3.287 1.00 49.73 H new ATOM 0 HB3 ALA A 20 4.787 -1.876 -4.883 1.00 49.73 H new ATOM 164 N PHE A 21 6.374 -2.228 -7.317 1.00 49.53 N ATOM 165 CA PHE A 21 6.346 -2.675 -8.704 1.00 50.07 C ATOM 166 C PHE A 21 7.747 -2.983 -9.212 1.00 50.51 C ATOM 167 O PHE A 21 7.975 -4.010 -9.852 1.00 49.49 O ATOM 168 CB PHE A 21 5.684 -1.619 -9.593 1.00 49.82 C ATOM 169 CG PHE A 21 4.188 -1.733 -9.657 1.00 50.00 C ATOM 170 CD1 PHE A 21 3.586 -2.856 -10.204 1.00 49.88 C ATOM 171 CD2 PHE A 21 3.379 -0.717 -9.171 1.00 49.88 C ATOM 172 CE1 PHE A 21 2.210 -2.963 -10.266 1.00 49.88 C ATOM 173 CE2 PHE A 21 2.001 -0.820 -9.230 1.00 49.88 C ATOM 174 CZ PHE A 21 1.417 -1.943 -9.777 1.00 49.88 C ATOM 0 H PHE A 21 6.006 -1.288 -7.170 1.00 49.53 H new ATOM 0 HA PHE A 21 5.760 -3.593 -8.747 1.00 50.07 H new ATOM 0 HB2 PHE A 21 5.948 -0.628 -9.223 1.00 49.82 H new ATOM 0 HB3 PHE A 21 6.089 -1.701 -10.602 1.00 49.82 H new ATOM 0 HD1 PHE A 21 4.201 -3.657 -10.587 1.00 49.88 H new ATOM 0 HD2 PHE A 21 3.830 0.165 -8.741 1.00 49.88 H new ATOM 0 HE1 PHE A 21 1.755 -3.843 -10.696 1.00 49.88 H new ATOM 0 HE2 PHE A 21 1.383 -0.021 -8.848 1.00 49.88 H new ATOM 0 HZ PHE A 21 0.341 -2.025 -9.823 1.00 49.88 H new ATOM 184 N LYS A 22 8.687 -2.088 -8.923 1.00 49.53 N ATOM 185 CA LYS A 22 10.065 -2.252 -9.370 1.00 50.07 C ATOM 186 C LYS A 22 10.692 -3.504 -8.770 1.00 50.51 C ATOM 187 O LYS A 22 11.355 -4.273 -9.467 1.00 49.49 O ATOM 188 CB LYS A 22 10.897 -1.021 -9.004 1.00 49.82 C ATOM 189 CG LYS A 22 10.542 0.234 -9.791 1.00 49.82 C ATOM 190 CD LYS A 22 11.385 1.420 -9.349 1.00 49.82 C ATOM 191 CE LYS A 22 10.999 2.686 -10.101 1.00 50.21 C ATOM 192 NZ LYS A 22 11.806 3.858 -9.669 1.00 49.70 N ATOM 0 H LYS A 22 8.518 -1.241 -8.380 1.00 49.53 H new ATOM 0 HA LYS A 22 10.053 -2.362 -10.454 1.00 50.07 H new ATOM 0 HB2 LYS A 22 10.772 -0.816 -7.941 1.00 49.82 H new ATOM 0 HB3 LYS A 22 11.951 -1.249 -9.163 1.00 49.82 H new ATOM 0 HG2 LYS A 22 10.694 0.054 -10.855 1.00 49.82 H new ATOM 0 HG3 LYS A 22 9.486 0.465 -9.654 1.00 49.82 H new ATOM 0 HD2 LYS A 22 11.260 1.579 -8.278 1.00 49.82 H new ATOM 0 HD3 LYS A 22 12.440 1.202 -9.518 1.00 49.82 H new ATOM 0 HE2 LYS A 22 11.134 2.528 -11.171 1.00 50.21 H new ATOM 0 HE3 LYS A 22 9.941 2.895 -9.940 1.00 50.21 H new ATOM 0 HZ1 LYS A 22 11.512 4.699 -10.205 1.00 49.70 H new ATOM 0 HZ2 LYS A 22 11.658 4.026 -8.653 1.00 49.70 H new ATOM 0 HZ3 LYS A 22 12.813 3.670 -9.846 1.00 49.70 H new ATOM 206 N GLU A 23 10.478 -3.704 -7.475 1.00 49.53 N ATOM 207 CA GLU A 23 11.017 -4.868 -6.780 1.00 50.07 C ATOM 208 C GLU A 23 10.425 -6.160 -7.328 1.00 50.51 C ATOM 209 O GLU A 23 11.128 -7.158 -7.487 1.00 49.49 O ATOM 210 CB GLU A 23 10.752 -4.765 -5.276 1.00 49.82 C ATOM 211 CG GLU A 23 11.573 -3.698 -4.565 1.00 49.72 C ATOM 212 CD GLU A 23 11.130 -3.528 -3.138 1.00 50.62 C ATOM 213 OE1 GLU A 23 10.191 -4.179 -2.747 1.00 49.24 O ATOM 214 OE2 GLU A 23 11.798 -2.835 -2.408 1.00 49.24 O ATOM 0 H GLU A 23 9.935 -3.075 -6.884 1.00 49.53 H new ATOM 0 HA GLU A 23 12.094 -4.888 -6.949 1.00 50.07 H new ATOM 0 HB2 GLU A 23 9.694 -4.556 -5.119 1.00 49.82 H new ATOM 0 HB3 GLU A 23 10.958 -5.731 -4.816 1.00 49.82 H new ATOM 0 HG2 GLU A 23 12.628 -3.971 -4.590 1.00 49.72 H new ATOM 0 HG3 GLU A 23 11.476 -2.750 -5.093 1.00 49.72 H new ATOM 221 N ALA A 24 9.128 -6.135 -7.616 1.00 49.53 N ATOM 222 CA ALA A 24 8.451 -7.286 -8.200 1.00 50.07 C ATOM 223 C ALA A 24 8.981 -7.588 -9.595 1.00 50.51 C ATOM 224 O ALA A 24 9.149 -8.750 -9.968 1.00 49.49 O ATOM 225 CB ALA A 24 6.948 -7.053 -8.239 1.00 49.73 C ATOM 0 H ALA A 24 8.524 -5.329 -7.454 1.00 49.53 H new ATOM 0 HA ALA A 24 8.655 -8.152 -7.570 1.00 50.07 H new ATOM 0 HB1 ALA A 24 6.456 -7.921 -8.678 1.00 49.73 H new ATOM 0 HB2 ALA A 24 6.577 -6.900 -7.226 1.00 49.73 H new ATOM 0 HB3 ALA A 24 6.732 -6.171 -8.842 1.00 49.73 H new ATOM 231 N LEU A 25 9.243 -6.536 -10.363 1.00 49.53 N ATOM 232 CA LEU A 25 9.797 -6.686 -11.704 1.00 50.07 C ATOM 233 C LEU A 25 11.173 -7.338 -11.661 1.00 50.51 C ATOM 234 O LEU A 25 11.520 -8.134 -12.534 1.00 49.49 O ATOM 235 CB LEU A 25 9.875 -5.321 -12.400 1.00 49.82 C ATOM 236 CG LEU A 25 8.703 -4.996 -13.334 1.00 49.91 C ATOM 237 CD1 LEU A 25 7.413 -5.579 -12.774 1.00 49.73 C ATOM 238 CD2 LEU A 25 8.588 -3.489 -13.501 1.00 49.73 C ATOM 0 H LEU A 25 9.081 -5.570 -10.080 1.00 49.53 H new ATOM 0 HA LEU A 25 9.134 -7.337 -12.274 1.00 50.07 H new ATOM 0 HB2 LEU A 25 9.936 -4.545 -11.637 1.00 49.82 H new ATOM 0 HB3 LEU A 25 10.800 -5.277 -12.975 1.00 49.82 H new ATOM 0 HG LEU A 25 8.882 -5.443 -14.312 1.00 49.91 H new ATOM 0 HD11 LEU A 25 6.586 -5.343 -13.444 1.00 49.73 H new ATOM 0 HD12 LEU A 25 7.511 -6.661 -12.685 1.00 49.73 H new ATOM 0 HD13 LEU A 25 7.217 -5.151 -11.791 1.00 49.73 H new ATOM 0 HD21 LEU A 25 7.755 -3.259 -14.165 1.00 49.73 H new ATOM 0 HD22 LEU A 25 8.415 -3.027 -12.529 1.00 49.73 H new ATOM 0 HD23 LEU A 25 9.511 -3.099 -13.929 1.00 49.73 H new ATOM 250 N LYS A 26 11.953 -6.998 -10.640 1.00 49.53 N ATOM 251 CA LYS A 26 13.258 -7.615 -10.434 1.00 50.07 C ATOM 252 C LYS A 26 13.119 -9.085 -10.060 1.00 50.51 C ATOM 253 O LYS A 26 13.864 -9.934 -10.550 1.00 49.49 O ATOM 254 CB LYS A 26 14.038 -6.868 -9.352 1.00 49.82 C ATOM 255 CG LYS A 26 14.508 -5.478 -9.761 1.00 49.82 C ATOM 256 CD LYS A 26 15.235 -4.782 -8.620 1.00 49.82 C ATOM 257 CE LYS A 26 15.648 -3.369 -9.007 1.00 50.21 C ATOM 258 NZ LYS A 26 16.354 -2.673 -7.898 1.00 49.70 N ATOM 0 H LYS A 26 11.703 -6.298 -9.942 1.00 49.53 H new ATOM 0 HA LYS A 26 13.808 -7.553 -11.373 1.00 50.07 H new ATOM 0 HB2 LYS A 26 13.411 -6.780 -8.465 1.00 49.82 H new ATOM 0 HB3 LYS A 26 14.906 -7.464 -9.071 1.00 49.82 H new ATOM 0 HG2 LYS A 26 15.170 -5.555 -10.624 1.00 49.82 H new ATOM 0 HG3 LYS A 26 13.652 -4.878 -10.069 1.00 49.82 H new ATOM 0 HD2 LYS A 26 14.589 -4.747 -7.742 1.00 49.82 H new ATOM 0 HD3 LYS A 26 16.118 -5.358 -8.343 1.00 49.82 H new ATOM 0 HE2 LYS A 26 16.296 -3.407 -9.882 1.00 50.21 H new ATOM 0 HE3 LYS A 26 14.764 -2.797 -9.290 1.00 50.21 H new ATOM 0 HZ1 LYS A 26 16.618 -1.714 -8.202 1.00 49.70 H new ATOM 0 HZ2 LYS A 26 15.727 -2.613 -7.071 1.00 49.70 H new ATOM 0 HZ3 LYS A 26 17.211 -3.204 -7.645 1.00 49.70 H new ATOM 272 N GLU A 27 12.161 -9.381 -9.187 1.00 49.53 N ATOM 273 CA GLU A 27 11.907 -10.753 -8.764 1.00 50.07 C ATOM 274 C GLU A 27 11.469 -11.619 -9.938 1.00 50.51 C ATOM 275 O GLU A 27 11.746 -12.817 -9.974 1.00 49.49 O ATOM 276 CB GLU A 27 10.845 -10.784 -7.662 1.00 49.82 C ATOM 277 CG GLU A 27 10.490 -12.182 -7.172 1.00 49.72 C ATOM 278 CD GLU A 27 11.664 -12.838 -6.500 1.00 50.62 C ATOM 279 OE1 GLU A 27 12.633 -12.164 -6.243 1.00 49.24 O ATOM 280 OE2 GLU A 27 11.551 -13.988 -6.141 1.00 49.24 O ATOM 0 H GLU A 27 11.547 -8.688 -8.759 1.00 49.53 H new ATOM 0 HA GLU A 27 12.839 -11.160 -8.370 1.00 50.07 H new ATOM 0 HB2 GLU A 27 11.199 -10.194 -6.816 1.00 49.82 H new ATOM 0 HB3 GLU A 27 9.941 -10.301 -8.032 1.00 49.82 H new ATOM 0 HG2 GLU A 27 9.654 -12.124 -6.475 1.00 49.72 H new ATOM 0 HG3 GLU A 27 10.162 -12.792 -8.013 1.00 49.72 H new ATOM 287 N LYS A 28 10.784 -11.005 -10.896 1.00 49.53 N ATOM 288 CA LYS A 28 10.295 -11.722 -12.068 1.00 50.07 C ATOM 289 C LYS A 28 11.220 -11.524 -13.262 1.00 50.51 C ATOM 290 O LYS A 28 10.881 -11.884 -14.389 1.00 49.49 O ATOM 291 CB LYS A 28 8.877 -11.268 -12.420 1.00 49.82 C ATOM 292 CG LYS A 28 7.827 -11.615 -11.374 1.00 49.82 C ATOM 293 CD LYS A 28 7.981 -13.048 -10.888 1.00 49.82 C ATOM 294 CE LYS A 28 7.546 -14.043 -11.954 1.00 50.21 C ATOM 295 NZ LYS A 28 7.711 -15.451 -11.501 1.00 49.70 N ATOM 0 H LYS A 28 10.554 -10.011 -10.884 1.00 49.53 H new ATOM 0 HA LYS A 28 10.277 -12.784 -11.825 1.00 50.07 H new ATOM 0 HB2 LYS A 28 8.881 -10.188 -12.569 1.00 49.82 H new ATOM 0 HB3 LYS A 28 8.589 -11.720 -13.369 1.00 49.82 H new ATOM 0 HG2 LYS A 28 7.913 -10.931 -10.529 1.00 49.82 H new ATOM 0 HG3 LYS A 28 6.831 -11.477 -11.796 1.00 49.82 H new ATOM 0 HD2 LYS A 28 9.021 -13.233 -10.618 1.00 49.82 H new ATOM 0 HD3 LYS A 28 7.386 -13.194 -9.986 1.00 49.82 H new ATOM 0 HE2 LYS A 28 6.502 -13.865 -12.212 1.00 50.21 H new ATOM 0 HE3 LYS A 28 8.130 -13.883 -12.860 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 7.404 -16.097 -12.256 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 8.711 -15.629 -11.279 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 7.134 -15.612 -10.651 1.00 49.70 H new ATOM 309 N ARG A 29 12.390 -10.949 -13.007 1.00 49.53 N ATOM 310 CA ARG A 29 13.367 -10.700 -14.061 1.00 50.07 C ATOM 311 C ARG A 29 12.689 -10.225 -15.340 1.00 50.51 C ATOM 312 O ARG A 29 12.865 -10.818 -16.404 1.00 49.49 O ATOM 313 CB ARG A 29 14.254 -11.909 -14.317 1.00 49.82 C ATOM 314 CG ARG A 29 15.148 -12.305 -13.152 1.00 49.82 C ATOM 315 CD ARG A 29 16.072 -13.430 -13.444 1.00 50.20 C ATOM 316 NE ARG A 29 16.871 -13.864 -12.309 1.00 49.30 N ATOM 317 CZ ARG A 29 17.738 -14.895 -12.332 1.00 50.64 C ATOM 318 NH1 ARG A 29 17.894 -15.624 -13.415 1.00 49.20 N ATOM 319 NH2 ARG A 29 18.410 -15.171 -11.229 1.00 49.20 N ATOM 0 H ARG A 29 12.685 -10.646 -12.079 1.00 49.53 H new ATOM 0 HA ARG A 29 14.019 -9.899 -13.712 1.00 50.07 H new ATOM 0 HB2 ARG A 29 13.621 -12.758 -14.575 1.00 49.82 H new ATOM 0 HB3 ARG A 29 14.881 -11.704 -15.184 1.00 49.82 H new ATOM 0 HG2 ARG A 29 15.735 -11.438 -12.849 1.00 49.82 H new ATOM 0 HG3 ARG A 29 14.520 -12.577 -12.304 1.00 49.82 H new ATOM 0 HD2 ARG A 29 15.490 -14.277 -13.807 1.00 50.20 H new ATOM 0 HD3 ARG A 29 16.742 -13.134 -14.251 1.00 50.20 H new ATOM 0 HE ARG A 29 16.768 -13.351 -11.433 1.00 49.30 H new ATOM 0 HH11 ARG A 29 17.354 -15.412 -14.254 1.00 49.20 H new ATOM 0 HH12 ARG A 29 18.555 -16.401 -13.416 1.00 49.20 H new ATOM 0 HH21 ARG A 29 18.266 -14.609 -10.390 1.00 49.20 H new ATOM 0 HH22 ARG A 29 19.073 -15.946 -11.216 1.00 49.20 H new ATOM 333 N VAL A 30 11.914 -9.152 -15.229 1.00 49.53 N ATOM 334 CA VAL A 30 11.201 -8.600 -16.376 1.00 50.07 C ATOM 335 C VAL A 30 12.164 -7.951 -17.362 1.00 50.51 C ATOM 336 O VAL A 30 12.904 -7.033 -17.009 1.00 49.49 O ATOM 337 CB VAL A 30 10.150 -7.562 -15.941 1.00 49.91 C ATOM 338 CG1 VAL A 30 9.477 -6.944 -17.158 1.00 49.73 C ATOM 339 CG2 VAL A 30 9.114 -8.201 -15.029 1.00 49.73 C ATOM 0 H VAL A 30 11.763 -8.646 -14.356 1.00 49.53 H new ATOM 0 HA VAL A 30 10.695 -9.434 -16.863 1.00 50.07 H new ATOM 0 HB VAL A 30 10.656 -6.772 -15.387 1.00 49.91 H new ATOM 0 HG11 VAL A 30 8.737 -6.213 -16.832 1.00 49.73 H new ATOM 0 HG12 VAL A 30 10.227 -6.451 -17.777 1.00 49.73 H new ATOM 0 HG13 VAL A 30 8.985 -7.725 -17.737 1.00 49.73 H new ATOM 0 HG21 VAL A 30 8.380 -7.452 -14.732 1.00 49.73 H new ATOM 0 HG22 VAL A 30 8.613 -9.011 -15.559 1.00 49.73 H new ATOM 0 HG23 VAL A 30 9.606 -8.599 -14.141 1.00 49.73 H new ATOM 349 N PRO A 31 12.151 -8.436 -18.599 1.00 49.71 N ATOM 350 CA PRO A 31 13.069 -7.949 -19.622 1.00 50.02 C ATOM 351 C PRO A 31 12.968 -6.437 -19.778 1.00 50.51 C ATOM 352 O PRO A 31 11.885 -5.862 -19.668 1.00 49.49 O ATOM 353 CB PRO A 31 12.638 -8.693 -20.898 1.00 49.82 C ATOM 354 CG PRO A 31 11.973 -9.949 -20.408 1.00 49.82 C ATOM 355 CD PRO A 31 11.141 -9.350 -19.149 1.00 50.00 C ATOM 0 HA PRO A 31 14.114 -8.136 -19.376 1.00 50.02 H new ATOM 0 HB2 PRO A 31 11.953 -8.090 -21.494 1.00 49.82 H new ATOM 0 HB3 PRO A 31 13.496 -8.921 -21.531 1.00 49.82 H new ATOM 0 HG2 PRO A 31 11.325 -10.399 -21.160 1.00 49.82 H new ATOM 0 HG3 PRO A 31 12.691 -10.712 -20.108 1.00 49.82 H new ATOM 0 HD2 PRO A 31 10.232 -8.833 -19.456 1.00 50.00 H new ATOM 0 HD3 PRO A 31 10.844 -10.122 -18.439 1.00 50.00 H new ATOM 363 N SER A 32 14.103 -5.798 -20.036 1.00 49.53 N ATOM 364 CA SER A 32 14.144 -4.352 -20.220 1.00 50.07 C ATOM 365 C SER A 32 13.446 -3.940 -21.509 1.00 50.51 C ATOM 366 O SER A 32 13.109 -2.772 -21.699 1.00 49.49 O ATOM 367 CB SER A 32 15.580 -3.864 -20.219 1.00 50.05 C ATOM 368 OG SER A 32 16.297 -4.336 -21.326 1.00 49.34 O ATOM 0 H SER A 32 15.009 -6.259 -20.123 1.00 49.53 H new ATOM 0 HA SER A 32 13.612 -3.890 -19.388 1.00 50.07 H new ATOM 0 HB2 SER A 32 15.592 -2.774 -20.217 1.00 50.05 H new ATOM 0 HB3 SER A 32 16.073 -4.190 -19.303 1.00 50.05 H new ATOM 0 HG SER A 32 17.216 -3.998 -21.289 1.00 49.34 H new ATOM 374 N ASN A 33 13.231 -4.908 -22.395 1.00 49.53 N ATOM 375 CA ASN A 33 12.557 -4.652 -23.662 1.00 50.07 C ATOM 376 C ASN A 33 11.066 -4.952 -23.564 1.00 50.51 C ATOM 377 O ASN A 33 10.326 -4.793 -24.535 1.00 49.49 O ATOM 378 CB ASN A 33 13.180 -5.450 -24.793 1.00 49.82 C ATOM 379 CG ASN A 33 14.560 -4.989 -25.168 1.00 50.55 C ATOM 380 OD1 ASN A 33 14.908 -3.813 -25.017 1.00 49.45 O ATOM 381 ND2 ASN A 33 15.323 -5.892 -25.732 1.00 49.38 N ATOM 0 H ASN A 33 13.515 -5.878 -22.258 1.00 49.53 H new ATOM 0 HA ASN A 33 12.682 -3.592 -23.884 1.00 50.07 H new ATOM 0 HB2 ASN A 33 13.223 -6.500 -24.504 1.00 49.82 H new ATOM 0 HB3 ASN A 33 12.535 -5.387 -25.669 1.00 49.82 H new ATOM 0 HD21 ASN A 33 16.251 -5.637 -26.070 1.00 49.38 H new ATOM 0 HD22 ASN A 33 14.989 -6.851 -25.833 1.00 49.38 H new ATOM 388 N ALA A 34 10.632 -5.388 -22.387 1.00 49.53 N ATOM 389 CA ALA A 34 9.224 -5.690 -22.153 1.00 50.07 C ATOM 390 C ALA A 34 8.433 -4.424 -21.853 1.00 50.51 C ATOM 391 O ALA A 34 8.940 -3.497 -21.221 1.00 49.49 O ATOM 392 CB ALA A 34 9.079 -6.691 -21.017 1.00 49.73 C ATOM 0 H ALA A 34 11.235 -5.541 -21.579 1.00 49.53 H new ATOM 0 HA ALA A 34 8.817 -6.132 -23.063 1.00 50.07 H new ATOM 0 HB1 ALA A 34 8.023 -6.906 -20.854 1.00 49.73 H new ATOM 0 HB2 ALA A 34 9.602 -7.612 -21.275 1.00 49.73 H new ATOM 0 HB3 ALA A 34 9.508 -6.273 -20.107 1.00 49.73 H new ATOM 398 N SER A 35 7.185 -4.389 -22.311 1.00 49.53 N ATOM 399 CA SER A 35 6.315 -3.243 -22.078 1.00 50.07 C ATOM 400 C SER A 35 5.837 -3.201 -20.632 1.00 50.51 C ATOM 401 O SER A 35 6.040 -4.148 -19.873 1.00 49.49 O ATOM 402 CB SER A 35 5.132 -3.284 -23.025 1.00 50.05 C ATOM 403 OG SER A 35 4.254 -4.335 -22.725 1.00 49.34 O ATOM 0 H SER A 35 6.754 -5.143 -22.846 1.00 49.53 H new ATOM 0 HA SER A 35 6.889 -2.336 -22.268 1.00 50.07 H new ATOM 0 HB2 SER A 35 4.594 -2.337 -22.974 1.00 50.05 H new ATOM 0 HB3 SER A 35 5.491 -3.393 -24.049 1.00 50.05 H new ATOM 0 HG SER A 35 3.505 -4.326 -23.357 1.00 49.34 H new ATOM 409 N TRP A 36 5.198 -2.098 -20.258 1.00 49.53 N ATOM 410 CA TRP A 36 4.630 -1.957 -18.922 1.00 50.07 C ATOM 411 C TRP A 36 3.528 -2.980 -18.681 1.00 50.51 C ATOM 412 O TRP A 36 3.430 -3.560 -17.600 1.00 49.49 O ATOM 413 CB TRP A 36 4.085 -0.541 -18.721 1.00 49.82 C ATOM 414 CG TRP A 36 3.393 -0.349 -17.406 1.00 49.97 C ATOM 415 CD1 TRP A 36 2.144 0.158 -17.208 1.00 50.03 C ATOM 416 CD2 TRP A 36 3.912 -0.658 -16.106 1.00 49.98 C ATOM 417 NE1 TRP A 36 1.850 0.185 -15.867 1.00 49.39 N ATOM 418 CE2 TRP A 36 2.921 -0.314 -15.169 1.00 50.13 C ATOM 419 CE3 TRP A 36 5.120 -1.196 -15.646 1.00 49.88 C ATOM 420 CZ2 TRP A 36 3.098 -0.484 -13.805 1.00 49.88 C ATOM 421 CZ3 TRP A 36 5.296 -1.368 -14.278 1.00 49.88 C ATOM 422 CH2 TRP A 36 4.313 -1.023 -13.383 1.00 49.88 C ATOM 0 H TRP A 36 5.060 -1.288 -20.862 1.00 49.53 H new ATOM 0 HA TRP A 36 5.426 -2.138 -18.200 1.00 50.07 H new ATOM 0 HB2 TRP A 36 4.907 0.171 -18.797 1.00 49.82 H new ATOM 0 HB3 TRP A 36 3.388 -0.311 -19.527 1.00 49.82 H new ATOM 0 HD1 TRP A 36 1.481 0.491 -17.993 1.00 50.03 H new ATOM 0 HE1 TRP A 36 0.979 0.521 -15.457 1.00 49.39 H new ATOM 0 HE3 TRP A 36 5.900 -1.472 -16.340 1.00 49.88 H new ATOM 0 HZ2 TRP A 36 2.328 -0.211 -13.099 1.00 49.88 H new ATOM 0 HZ3 TRP A 36 6.224 -1.781 -13.912 1.00 49.88 H new ATOM 0 HH2 TRP A 36 4.485 -1.173 -12.327 1.00 49.88 H new ATOM 433 N GLU A 37 2.699 -3.198 -19.697 1.00 49.53 N ATOM 434 CA GLU A 37 1.659 -4.219 -19.631 1.00 50.07 C ATOM 435 C GLU A 37 2.253 -5.592 -19.344 1.00 50.51 C ATOM 436 O GLU A 37 1.769 -6.318 -18.475 1.00 49.49 O ATOM 437 CB GLU A 37 0.861 -4.255 -20.937 1.00 49.82 C ATOM 438 CG GLU A 37 -0.276 -5.267 -20.949 1.00 49.72 C ATOM 439 CD GLU A 37 -1.048 -5.204 -22.239 1.00 50.62 C ATOM 440 OE1 GLU A 37 -0.719 -4.389 -23.067 1.00 49.24 O ATOM 441 OE2 GLU A 37 -1.892 -6.045 -22.443 1.00 49.24 O ATOM 0 H GLU A 37 2.727 -2.681 -20.576 1.00 49.53 H new ATOM 0 HA GLU A 37 0.988 -3.959 -18.812 1.00 50.07 H new ATOM 0 HB2 GLU A 37 0.451 -3.263 -21.126 1.00 49.82 H new ATOM 0 HB3 GLU A 37 1.541 -4.480 -21.758 1.00 49.82 H new ATOM 0 HG2 GLU A 37 0.126 -6.271 -20.811 1.00 49.72 H new ATOM 0 HG3 GLU A 37 -0.946 -5.074 -20.111 1.00 49.72 H new ATOM 448 N GLN A 38 3.305 -5.942 -20.077 1.00 49.53 N ATOM 449 CA GLN A 38 3.995 -7.210 -19.871 1.00 50.07 C ATOM 450 C GLN A 38 4.609 -7.282 -18.478 1.00 50.51 C ATOM 451 O GLN A 38 4.524 -8.309 -17.805 1.00 49.49 O ATOM 452 CB GLN A 38 5.086 -7.404 -20.927 1.00 49.82 C ATOM 453 CG GLN A 38 5.796 -8.745 -20.850 1.00 49.82 C ATOM 454 CD GLN A 38 4.869 -9.909 -21.144 1.00 50.55 C ATOM 455 OE1 GLN A 38 4.102 -9.880 -22.110 1.00 49.45 O ATOM 456 NE2 GLN A 38 4.929 -10.939 -20.307 1.00 49.38 N ATOM 0 H GLN A 38 3.699 -5.364 -20.820 1.00 49.53 H new ATOM 0 HA GLN A 38 3.258 -8.008 -19.966 1.00 50.07 H new ATOM 0 HB2 GLN A 38 4.641 -7.297 -21.916 1.00 49.82 H new ATOM 0 HB3 GLN A 38 5.824 -6.608 -20.822 1.00 49.82 H new ATOM 0 HG2 GLN A 38 6.624 -8.756 -21.559 1.00 49.82 H new ATOM 0 HG3 GLN A 38 6.226 -8.869 -19.856 1.00 49.82 H new ATOM 0 HE21 GLN A 38 5.579 -10.920 -19.521 1.00 49.38 H new ATOM 0 HE22 GLN A 38 4.325 -11.749 -20.451 1.00 49.38 H new ATOM 465 N ALA A 39 5.227 -6.187 -18.052 1.00 49.53 N ATOM 466 CA ALA A 39 5.841 -6.118 -16.732 1.00 50.07 C ATOM 467 C ALA A 39 4.839 -6.466 -15.639 1.00 50.51 C ATOM 468 O ALA A 39 5.158 -7.191 -14.697 1.00 49.49 O ATOM 469 CB ALA A 39 6.432 -4.735 -16.492 1.00 49.73 C ATOM 0 H ALA A 39 5.316 -5.333 -18.603 1.00 49.53 H new ATOM 0 HA ALA A 39 6.645 -6.853 -16.697 1.00 50.07 H new ATOM 0 HB1 ALA A 39 6.887 -4.700 -15.502 1.00 49.73 H new ATOM 0 HB2 ALA A 39 7.190 -4.527 -17.247 1.00 49.73 H new ATOM 0 HB3 ALA A 39 5.643 -3.986 -16.555 1.00 49.73 H new ATOM 475 N MET A 40 3.623 -5.945 -15.770 1.00 49.53 N ATOM 476 CA MET A 40 2.564 -6.220 -14.808 1.00 50.07 C ATOM 477 C MET A 40 2.134 -7.681 -14.864 1.00 50.51 C ATOM 478 O MET A 40 1.996 -8.338 -13.833 1.00 49.49 O ATOM 479 CB MET A 40 1.366 -5.307 -15.065 1.00 49.82 C ATOM 480 CG MET A 40 1.604 -3.844 -14.717 1.00 49.86 C ATOM 481 SD MET A 40 0.096 -2.857 -14.796 1.00 49.91 S ATOM 482 CE MET A 40 -0.157 -2.769 -16.567 1.00 49.78 C ATOM 0 H MET A 40 3.347 -5.329 -16.535 1.00 49.53 H new ATOM 0 HA MET A 40 2.955 -6.021 -13.810 1.00 50.07 H new ATOM 0 HB2 MET A 40 1.090 -5.377 -16.117 1.00 49.82 H new ATOM 0 HB3 MET A 40 0.516 -5.672 -14.488 1.00 49.82 H new ATOM 0 HG2 MET A 40 2.025 -3.777 -13.714 1.00 49.86 H new ATOM 0 HG3 MET A 40 2.343 -3.427 -15.402 1.00 49.86 H new ATOM 0 HE1 MET A 40 -0.968 -2.074 -16.785 1.00 49.78 H new ATOM 0 HE2 MET A 40 0.757 -2.421 -17.048 1.00 49.78 H new ATOM 0 HE3 MET A 40 -0.414 -3.758 -16.947 1.00 49.78 H new ATOM 492 N LYS A 41 1.925 -8.184 -16.075 1.00 49.53 N ATOM 493 CA LYS A 41 1.483 -9.560 -16.268 1.00 50.07 C ATOM 494 C LYS A 41 2.459 -10.545 -15.636 1.00 50.51 C ATOM 495 O LYS A 41 2.059 -11.597 -15.138 1.00 49.49 O ATOM 496 CB LYS A 41 1.317 -9.866 -17.758 1.00 49.82 C ATOM 497 CG LYS A 41 0.101 -9.214 -18.402 1.00 49.82 C ATOM 498 CD LYS A 41 0.019 -9.541 -19.885 1.00 49.82 C ATOM 499 CE LYS A 41 -1.242 -8.963 -20.512 1.00 50.21 C ATOM 500 NZ LYS A 41 -1.312 -9.233 -21.973 1.00 49.70 N ATOM 0 H LYS A 41 2.055 -7.658 -16.940 1.00 49.53 H new ATOM 0 HA LYS A 41 0.518 -9.673 -15.775 1.00 50.07 H new ATOM 0 HB2 LYS A 41 2.212 -9.538 -18.286 1.00 49.82 H new ATOM 0 HB3 LYS A 41 1.247 -10.946 -17.889 1.00 49.82 H new ATOM 0 HG2 LYS A 41 -0.805 -9.555 -17.902 1.00 49.82 H new ATOM 0 HG3 LYS A 41 0.151 -8.133 -18.268 1.00 49.82 H new ATOM 0 HD2 LYS A 41 0.896 -9.144 -20.396 1.00 49.82 H new ATOM 0 HD3 LYS A 41 0.033 -10.622 -20.022 1.00 49.82 H new ATOM 0 HE2 LYS A 41 -2.118 -9.388 -20.022 1.00 50.21 H new ATOM 0 HE3 LYS A 41 -1.272 -7.887 -20.340 1.00 50.21 H new ATOM 0 HZ1 LYS A 41 -1.517 -8.348 -22.480 1.00 49.70 H new ATOM 0 HZ2 LYS A 41 -0.402 -9.617 -22.299 1.00 49.70 H new ATOM 0 HZ3 LYS A 41 -2.066 -9.923 -22.163 1.00 49.70 H new ATOM 514 N MET A 42 3.741 -10.198 -15.661 1.00 49.53 N ATOM 515 CA MET A 42 4.775 -11.046 -15.082 1.00 50.07 C ATOM 516 C MET A 42 4.578 -11.209 -13.580 1.00 50.51 C ATOM 517 O MET A 42 4.863 -12.267 -13.019 1.00 49.49 O ATOM 518 CB MET A 42 6.158 -10.466 -15.374 1.00 49.82 C ATOM 519 CG MET A 42 6.618 -10.630 -16.816 1.00 49.86 C ATOM 520 SD MET A 42 6.842 -12.359 -17.282 1.00 49.91 S ATOM 521 CE MET A 42 8.261 -12.797 -16.283 1.00 49.78 C ATOM 0 H MET A 42 4.089 -9.334 -16.077 1.00 49.53 H new ATOM 0 HA MET A 42 4.698 -12.032 -15.540 1.00 50.07 H new ATOM 0 HB2 MET A 42 6.153 -9.405 -15.126 1.00 49.82 H new ATOM 0 HB3 MET A 42 6.885 -10.944 -14.717 1.00 49.82 H new ATOM 0 HG2 MET A 42 5.887 -10.170 -17.481 1.00 49.86 H new ATOM 0 HG3 MET A 42 7.557 -10.095 -16.957 1.00 49.86 H new ATOM 0 HE1 MET A 42 8.717 -13.705 -16.678 1.00 49.78 H new ATOM 0 HE2 MET A 42 8.988 -11.985 -16.308 1.00 49.78 H new ATOM 0 HE3 MET A 42 7.943 -12.968 -15.255 1.00 49.78 H new ATOM 531 N ILE A 43 4.089 -10.155 -12.936 1.00 49.53 N ATOM 532 CA ILE A 43 3.926 -10.152 -11.487 1.00 50.07 C ATOM 533 C ILE A 43 2.488 -10.460 -11.093 1.00 50.51 C ATOM 534 O ILE A 43 2.198 -10.741 -9.931 1.00 49.49 O ATOM 535 CB ILE A 43 4.337 -8.799 -10.875 1.00 49.91 C ATOM 536 CG1 ILE A 43 3.400 -7.689 -11.356 1.00 49.82 C ATOM 537 CG2 ILE A 43 5.780 -8.473 -11.230 1.00 49.73 C ATOM 538 CD1 ILE A 43 3.572 -6.382 -10.616 1.00 49.73 C ATOM 0 H ILE A 43 3.799 -9.292 -13.395 1.00 49.53 H new ATOM 0 HA ILE A 43 4.581 -10.931 -11.096 1.00 50.07 H new ATOM 0 HB ILE A 43 4.257 -8.870 -9.790 1.00 49.91 H new ATOM 0 HG12 ILE A 43 3.569 -7.519 -12.419 1.00 49.82 H new ATOM 0 HG13 ILE A 43 2.369 -8.024 -11.247 1.00 49.82 H new ATOM 0 HG21 ILE A 43 6.055 -7.514 -10.790 1.00 49.73 H new ATOM 0 HG22 ILE A 43 6.435 -9.252 -10.841 1.00 49.73 H new ATOM 0 HG23 ILE A 43 5.885 -8.419 -12.314 1.00 49.73 H new ATOM 0 HD11 ILE A 43 2.874 -5.645 -11.013 1.00 49.73 H new ATOM 0 HD12 ILE A 43 3.373 -6.536 -9.555 1.00 49.73 H new ATOM 0 HD13 ILE A 43 4.593 -6.022 -10.746 1.00 49.73 H new ATOM 550 N ILE A 44 1.588 -10.406 -12.070 1.00 49.53 N ATOM 551 CA ILE A 44 0.202 -10.802 -11.857 1.00 50.07 C ATOM 552 C ILE A 44 0.071 -12.316 -11.752 1.00 50.51 C ATOM 553 O ILE A 44 -0.756 -12.826 -10.996 1.00 49.49 O ATOM 554 CB ILE A 44 -0.711 -10.295 -12.990 1.00 49.91 C ATOM 555 CG1 ILE A 44 -0.900 -8.780 -12.886 1.00 49.82 C ATOM 556 CG2 ILE A 44 -2.055 -11.007 -12.948 1.00 49.73 C ATOM 557 CD1 ILE A 44 -1.523 -8.157 -14.114 1.00 49.73 C ATOM 0 H ILE A 44 1.795 -10.091 -13.018 1.00 49.53 H new ATOM 0 HA ILE A 44 -0.113 -10.348 -10.918 1.00 50.07 H new ATOM 0 HB ILE A 44 -0.235 -10.517 -13.945 1.00 49.91 H new ATOM 0 HG12 ILE A 44 -1.526 -8.560 -12.021 1.00 49.82 H new ATOM 0 HG13 ILE A 44 0.069 -8.314 -12.705 1.00 49.82 H new ATOM 0 HG21 ILE A 44 -2.688 -10.637 -13.755 1.00 49.73 H new ATOM 0 HG22 ILE A 44 -1.903 -12.080 -13.069 1.00 49.73 H new ATOM 0 HG23 ILE A 44 -2.539 -10.815 -11.990 1.00 49.73 H new ATOM 0 HD11 ILE A 44 -1.625 -7.082 -13.965 1.00 49.73 H new ATOM 0 HD12 ILE A 44 -0.887 -8.345 -14.979 1.00 49.73 H new ATOM 0 HD13 ILE A 44 -2.507 -8.594 -14.285 1.00 49.73 H new ATOM 569 N ASN A 45 0.892 -13.031 -12.513 1.00 49.53 N ATOM 570 CA ASN A 45 0.904 -14.487 -12.470 1.00 50.07 C ATOM 571 C ASN A 45 1.542 -14.996 -11.182 1.00 50.51 C ATOM 572 O ASN A 45 1.374 -16.158 -10.813 1.00 49.49 O ATOM 573 CB ASN A 45 1.618 -15.073 -13.675 1.00 49.82 C ATOM 574 CG ASN A 45 0.850 -14.934 -14.960 1.00 50.55 C ATOM 575 OD1 ASN A 45 -0.374 -14.762 -14.959 1.00 49.45 O ATOM 576 ND2 ASN A 45 1.549 -15.089 -16.055 1.00 49.38 N ATOM 0 H ASN A 45 1.559 -12.624 -13.168 1.00 49.53 H new ATOM 0 HA ASN A 45 -0.135 -14.817 -12.495 1.00 50.07 H new ATOM 0 HB2 ASN A 45 2.586 -14.584 -13.786 1.00 49.82 H new ATOM 0 HB3 ASN A 45 1.814 -16.129 -13.492 1.00 49.82 H new ATOM 0 HD21 ASN A 45 1.085 -15.071 -16.963 1.00 49.38 H new ATOM 0 HD22 ASN A 45 2.558 -15.228 -16.001 1.00 49.38 H new ATOM 583 N ASP A 46 2.273 -14.118 -10.504 1.00 49.53 N ATOM 584 CA ASP A 46 2.907 -14.466 -9.238 1.00 50.07 C ATOM 585 C ASP A 46 2.006 -14.124 -8.058 1.00 50.51 C ATOM 586 O ASP A 46 1.791 -12.952 -7.748 1.00 49.49 O ATOM 587 CB ASP A 46 4.252 -13.748 -9.097 1.00 49.72 C ATOM 588 CG ASP A 46 5.043 -14.133 -7.854 1.00 50.62 C ATOM 589 OD1 ASP A 46 4.528 -14.877 -7.052 1.00 49.24 O ATOM 590 OD2 ASP A 46 6.205 -13.811 -7.790 1.00 49.24 O ATOM 0 H ASP A 46 2.441 -13.160 -10.810 1.00 49.53 H new ATOM 0 HA ASP A 46 3.078 -15.543 -9.236 1.00 50.07 H new ATOM 0 HB2 ASP A 46 4.857 -13.960 -9.978 1.00 49.72 H new ATOM 0 HB3 ASP A 46 4.076 -12.672 -9.082 1.00 49.72 H new ATOM 595 N PRO A 47 1.479 -15.154 -7.405 1.00 49.71 N ATOM 596 CA PRO A 47 0.524 -14.967 -6.320 1.00 50.02 C ATOM 597 C PRO A 47 1.130 -14.148 -5.188 1.00 50.51 C ATOM 598 O PRO A 47 0.412 -13.579 -4.366 1.00 49.49 O ATOM 599 CB PRO A 47 0.172 -16.396 -5.876 1.00 49.82 C ATOM 600 CG PRO A 47 1.350 -17.232 -6.296 1.00 49.82 C ATOM 601 CD PRO A 47 1.810 -16.571 -7.615 1.00 50.00 C ATOM 0 HA PRO A 47 -0.360 -14.409 -6.629 1.00 50.02 H new ATOM 0 HB2 PRO A 47 0.015 -16.448 -4.799 1.00 49.82 H new ATOM 0 HB3 PRO A 47 -0.747 -16.742 -6.349 1.00 49.82 H new ATOM 0 HG2 PRO A 47 2.139 -17.220 -5.544 1.00 49.82 H new ATOM 0 HG3 PRO A 47 1.069 -18.274 -6.446 1.00 49.82 H new ATOM 0 HD2 PRO A 47 2.876 -16.715 -7.789 1.00 50.00 H new ATOM 0 HD3 PRO A 47 1.288 -16.984 -8.478 1.00 50.00 H new ATOM 609 N ARG A 48 2.458 -14.092 -5.150 1.00 49.53 N ATOM 610 CA ARG A 48 3.164 -13.369 -4.099 1.00 50.07 C ATOM 611 C ARG A 48 2.933 -11.867 -4.211 1.00 50.51 C ATOM 612 O ARG A 48 3.018 -11.141 -3.222 1.00 49.49 O ATOM 613 CB ARG A 48 4.648 -13.702 -4.072 1.00 49.82 C ATOM 614 CG ARG A 48 4.976 -15.126 -3.650 1.00 49.82 C ATOM 615 CD ARG A 48 6.430 -15.428 -3.589 1.00 50.20 C ATOM 616 NE ARG A 48 7.115 -15.351 -4.869 1.00 49.30 N ATOM 617 CZ ARG A 48 8.451 -15.257 -5.017 1.00 50.64 C ATOM 618 NH1 ARG A 48 9.245 -15.188 -3.972 1.00 49.20 N ATOM 619 NH2 ARG A 48 8.941 -15.210 -6.243 1.00 49.20 N ATOM 0 H ARG A 48 3.067 -14.539 -5.836 1.00 49.53 H new ATOM 0 HA ARG A 48 2.748 -13.701 -3.148 1.00 50.07 H new ATOM 0 HB2 ARG A 48 5.063 -13.528 -5.065 1.00 49.82 H new ATOM 0 HB3 ARG A 48 5.148 -13.012 -3.392 1.00 49.82 H new ATOM 0 HG2 ARG A 48 4.537 -15.312 -2.670 1.00 49.82 H new ATOM 0 HG3 ARG A 48 4.503 -15.817 -4.347 1.00 49.82 H new ATOM 0 HD2 ARG A 48 6.904 -14.734 -2.895 1.00 50.20 H new ATOM 0 HD3 ARG A 48 6.564 -16.429 -3.179 1.00 50.20 H new ATOM 0 HE ARG A 48 6.544 -15.369 -5.714 1.00 49.30 H new ATOM 0 HH11 ARG A 48 8.852 -15.205 -3.031 1.00 49.20 H new ATOM 0 HH12 ARG A 48 10.254 -15.117 -4.102 1.00 49.20 H new ATOM 0 HH21 ARG A 48 8.312 -15.245 -7.045 1.00 49.20 H new ATOM 0 HH22 ARG A 48 9.948 -15.139 -6.387 1.00 49.20 H new ATOM 633 N TYR A 49 2.638 -11.409 -5.423 1.00 49.53 N ATOM 634 CA TYR A 49 2.388 -9.993 -5.666 1.00 50.07 C ATOM 635 C TYR A 49 0.949 -9.755 -6.104 1.00 50.51 C ATOM 636 O TYR A 49 0.671 -8.854 -6.896 1.00 49.49 O ATOM 637 CB TYR A 49 3.354 -9.453 -6.723 1.00 49.82 C ATOM 638 CG TYR A 49 4.812 -9.554 -6.330 1.00 50.00 C ATOM 639 CD1 TYR A 49 5.338 -8.744 -5.335 1.00 49.88 C ATOM 640 CD2 TYR A 49 5.657 -10.457 -6.957 1.00 49.88 C ATOM 641 CE1 TYR A 49 6.667 -8.832 -4.973 1.00 49.88 C ATOM 642 CE2 TYR A 49 6.989 -10.555 -6.601 1.00 49.88 C ATOM 643 CZ TYR A 49 7.490 -9.739 -5.608 1.00 50.11 C ATOM 644 OH TYR A 49 8.816 -9.829 -5.252 1.00 49.46 O ATOM 0 H TYR A 49 2.566 -11.998 -6.253 1.00 49.53 H new ATOM 0 HA TYR A 49 2.552 -9.460 -4.729 1.00 50.07 H new ATOM 0 HB2 TYR A 49 3.200 -9.998 -7.654 1.00 49.82 H new ATOM 0 HB3 TYR A 49 3.113 -8.409 -6.922 1.00 49.82 H new ATOM 0 HD1 TYR A 49 4.697 -8.033 -4.835 1.00 49.88 H new ATOM 0 HD2 TYR A 49 5.268 -11.095 -7.737 1.00 49.88 H new ATOM 0 HE1 TYR A 49 7.061 -8.194 -4.196 1.00 49.88 H new ATOM 0 HE2 TYR A 49 7.633 -11.266 -7.097 1.00 49.88 H new ATOM 0 HH TYR A 49 9.008 -10.735 -4.932 1.00 49.46 H new ATOM 654 N SER A 50 0.035 -10.566 -5.583 1.00 49.53 N ATOM 655 CA SER A 50 -1.384 -10.416 -5.883 1.00 50.07 C ATOM 656 C SER A 50 -1.886 -9.031 -5.493 1.00 50.51 C ATOM 657 O SER A 50 -2.858 -8.531 -6.059 1.00 49.49 O ATOM 658 CB SER A 50 -2.185 -11.488 -5.169 1.00 50.05 C ATOM 659 OG SER A 50 -2.139 -11.340 -3.777 1.00 49.34 O ATOM 0 H SER A 50 0.252 -11.335 -4.950 1.00 49.53 H new ATOM 0 HA SER A 50 -1.517 -10.530 -6.959 1.00 50.07 H new ATOM 0 HB2 SER A 50 -3.222 -11.449 -5.503 1.00 50.05 H new ATOM 0 HB3 SER A 50 -1.799 -12.470 -5.442 1.00 50.05 H new ATOM 0 HG SER A 50 -2.668 -12.049 -3.355 1.00 49.34 H new ATOM 665 N ALA A 51 -1.217 -8.417 -4.524 1.00 49.53 N ATOM 666 CA ALA A 51 -1.546 -7.058 -4.108 1.00 50.07 C ATOM 667 C ALA A 51 -1.312 -6.064 -5.237 1.00 50.51 C ATOM 668 O ALA A 51 -2.104 -5.144 -5.442 1.00 49.49 O ATOM 669 CB ALA A 51 -0.739 -6.671 -2.877 1.00 49.73 C ATOM 0 H ALA A 51 -0.443 -8.839 -4.011 1.00 49.53 H new ATOM 0 HA ALA A 51 -2.606 -7.030 -3.854 1.00 50.07 H new ATOM 0 HB1 ALA A 51 -0.995 -5.654 -2.579 1.00 49.73 H new ATOM 0 HB2 ALA A 51 -0.968 -7.357 -2.062 1.00 49.73 H new ATOM 0 HB3 ALA A 51 0.325 -6.724 -3.108 1.00 49.73 H new ATOM 675 N LEU A 52 -0.217 -6.253 -5.967 1.00 49.53 N ATOM 676 CA LEU A 52 0.083 -5.422 -7.126 1.00 50.07 C ATOM 677 C LEU A 52 -0.814 -5.774 -8.305 1.00 50.51 C ATOM 678 O LEU A 52 -1.178 -4.909 -9.101 1.00 49.49 O ATOM 679 CB LEU A 52 1.560 -5.570 -7.516 1.00 49.82 C ATOM 680 CG LEU A 52 2.561 -4.979 -6.517 1.00 49.91 C ATOM 681 CD1 LEU A 52 3.983 -5.336 -6.929 1.00 49.73 C ATOM 682 CD2 LEU A 52 2.383 -3.470 -6.448 1.00 49.73 C ATOM 0 H LEU A 52 0.477 -6.975 -5.775 1.00 49.53 H new ATOM 0 HA LEU A 52 -0.111 -4.384 -6.856 1.00 50.07 H new ATOM 0 HB2 LEU A 52 1.781 -6.630 -7.644 1.00 49.82 H new ATOM 0 HB3 LEU A 52 1.713 -5.094 -8.484 1.00 49.82 H new ATOM 0 HG LEU A 52 2.376 -5.399 -5.528 1.00 49.91 H new ATOM 0 HD11 LEU A 52 4.687 -4.912 -6.213 1.00 49.73 H new ATOM 0 HD12 LEU A 52 4.095 -6.420 -6.949 1.00 49.73 H new ATOM 0 HD13 LEU A 52 4.187 -4.932 -7.921 1.00 49.73 H new ATOM 0 HD21 LEU A 52 3.096 -3.052 -5.737 1.00 49.73 H new ATOM 0 HD22 LEU A 52 2.557 -3.038 -7.433 1.00 49.73 H new ATOM 0 HD23 LEU A 52 1.369 -3.238 -6.124 1.00 49.73 H new ATOM 694 N ALA A 53 -1.170 -7.050 -8.411 1.00 49.53 N ATOM 695 CA ALA A 53 -2.090 -7.506 -9.445 1.00 50.07 C ATOM 696 C ALA A 53 -3.443 -6.817 -9.322 1.00 50.51 C ATOM 697 O ALA A 53 -4.051 -6.438 -10.323 1.00 49.49 O ATOM 698 CB ALA A 53 -2.254 -9.017 -9.380 1.00 49.73 C ATOM 0 H ALA A 53 -0.834 -7.788 -7.792 1.00 49.53 H new ATOM 0 HA ALA A 53 -1.666 -7.241 -10.414 1.00 50.07 H new ATOM 0 HB1 ALA A 53 -2.944 -9.342 -10.159 1.00 49.73 H new ATOM 0 HB2 ALA A 53 -1.286 -9.495 -9.531 1.00 49.73 H new ATOM 0 HB3 ALA A 53 -2.650 -9.298 -8.404 1.00 49.73 H new ATOM 704 N LYS A 54 -3.910 -6.659 -8.088 1.00 49.53 N ATOM 705 CA LYS A 54 -5.158 -5.952 -7.827 1.00 50.07 C ATOM 706 C LYS A 54 -4.987 -4.448 -8.000 1.00 50.51 C ATOM 707 O LYS A 54 -5.859 -3.775 -8.550 1.00 49.49 O ATOM 708 CB LYS A 54 -5.666 -6.265 -6.418 1.00 49.82 C ATOM 709 CG LYS A 54 -6.124 -7.703 -6.218 1.00 49.82 C ATOM 710 CD LYS A 54 -6.599 -7.940 -4.792 1.00 49.82 C ATOM 711 CE LYS A 54 -6.993 -9.393 -4.574 1.00 50.21 C ATOM 712 NZ LYS A 54 -7.447 -9.643 -3.179 1.00 49.70 N ATOM 0 H LYS A 54 -3.443 -7.011 -7.253 1.00 49.53 H new ATOM 0 HA LYS A 54 -5.894 -6.296 -8.554 1.00 50.07 H new ATOM 0 HB2 LYS A 54 -4.873 -6.047 -5.703 1.00 49.82 H new ATOM 0 HB3 LYS A 54 -6.496 -5.597 -6.188 1.00 49.82 H new ATOM 0 HG2 LYS A 54 -6.931 -7.930 -6.915 1.00 49.82 H new ATOM 0 HG3 LYS A 54 -5.304 -8.383 -6.448 1.00 49.82 H new ATOM 0 HD2 LYS A 54 -5.808 -7.667 -4.093 1.00 49.82 H new ATOM 0 HD3 LYS A 54 -7.451 -7.294 -4.578 1.00 49.82 H new ATOM 0 HE2 LYS A 54 -7.789 -9.661 -5.268 1.00 50.21 H new ATOM 0 HE3 LYS A 54 -6.143 -10.037 -4.800 1.00 50.21 H new ATOM 0 HZ1 LYS A 54 -7.706 -10.645 -3.072 1.00 49.70 H new ATOM 0 HZ2 LYS A 54 -6.679 -9.412 -2.517 1.00 49.70 H new ATOM 0 HZ3 LYS A 54 -8.274 -9.048 -2.971 1.00 49.70 H new ATOM 726 N LEU A 55 -3.859 -3.928 -7.529 1.00 49.53 N ATOM 727 CA LEU A 55 -3.573 -2.502 -7.629 1.00 50.07 C ATOM 728 C LEU A 55 -3.618 -2.033 -9.078 1.00 50.51 C ATOM 729 O LEU A 55 -4.107 -0.941 -9.372 1.00 49.49 O ATOM 730 CB LEU A 55 -2.205 -2.191 -7.010 1.00 49.82 C ATOM 731 CG LEU A 55 -1.796 -0.713 -7.037 1.00 49.91 C ATOM 732 CD1 LEU A 55 -2.793 0.118 -6.241 1.00 49.73 C ATOM 733 CD2 LEU A 55 -0.393 -0.562 -6.467 1.00 49.73 C ATOM 0 H LEU A 55 -3.127 -4.473 -7.074 1.00 49.53 H new ATOM 0 HA LEU A 55 -4.342 -1.962 -7.076 1.00 50.07 H new ATOM 0 HB2 LEU A 55 -2.207 -2.532 -5.975 1.00 49.82 H new ATOM 0 HB3 LEU A 55 -1.446 -2.771 -7.535 1.00 49.82 H new ATOM 0 HG LEU A 55 -1.796 -0.355 -8.066 1.00 49.91 H new ATOM 0 HD11 LEU A 55 -2.495 1.166 -6.266 1.00 49.73 H new ATOM 0 HD12 LEU A 55 -3.786 0.013 -6.679 1.00 49.73 H new ATOM 0 HD13 LEU A 55 -2.813 -0.229 -5.208 1.00 49.73 H new ATOM 0 HD21 LEU A 55 -0.103 0.489 -6.487 1.00 49.73 H new ATOM 0 HD22 LEU A 55 -0.377 -0.924 -5.439 1.00 49.73 H new ATOM 0 HD23 LEU A 55 0.308 -1.143 -7.067 1.00 49.73 H new ATOM 745 N SER A 56 -3.105 -2.862 -9.979 1.00 49.53 N ATOM 746 CA SER A 56 -3.077 -2.529 -11.398 1.00 50.07 C ATOM 747 C SER A 56 -4.485 -2.363 -11.953 1.00 50.51 C ATOM 748 O SER A 56 -4.682 -1.742 -12.998 1.00 49.49 O ATOM 749 CB SER A 56 -2.326 -3.597 -12.171 1.00 50.05 C ATOM 750 OG SER A 56 -3.068 -4.780 -12.288 1.00 49.34 O ATOM 0 H SER A 56 -2.702 -3.771 -9.752 1.00 49.53 H new ATOM 0 HA SER A 56 -2.558 -1.577 -11.513 1.00 50.07 H new ATOM 0 HB2 SER A 56 -2.083 -3.222 -13.165 1.00 50.05 H new ATOM 0 HB3 SER A 56 -1.381 -3.810 -11.671 1.00 50.05 H new ATOM 0 HG SER A 56 -3.277 -5.125 -11.395 1.00 49.34 H new ATOM 756 N GLU A 57 -5.463 -2.921 -11.249 1.00 49.53 N ATOM 757 CA GLU A 57 -6.863 -2.776 -11.631 1.00 50.07 C ATOM 758 C GLU A 57 -7.526 -1.638 -10.867 1.00 50.51 C ATOM 759 O GLU A 57 -8.435 -0.982 -11.377 1.00 49.49 O ATOM 760 CB GLU A 57 -7.622 -4.083 -11.391 1.00 49.82 C ATOM 761 CG GLU A 57 -7.120 -5.262 -12.212 1.00 49.72 C ATOM 762 CD GLU A 57 -7.862 -6.523 -11.868 1.00 50.62 C ATOM 763 OE1 GLU A 57 -8.724 -6.471 -11.024 1.00 49.24 O ATOM 764 OE2 GLU A 57 -7.648 -7.514 -12.526 1.00 49.24 O ATOM 0 H GLU A 57 -5.312 -3.479 -10.409 1.00 49.53 H new ATOM 0 HA GLU A 57 -6.896 -2.538 -12.694 1.00 50.07 H new ATOM 0 HB2 GLU A 57 -7.556 -4.338 -10.333 1.00 49.82 H new ATOM 0 HB3 GLU A 57 -8.677 -3.923 -11.615 1.00 49.82 H new ATOM 0 HG2 GLU A 57 -7.239 -5.046 -13.274 1.00 49.72 H new ATOM 0 HG3 GLU A 57 -6.054 -5.405 -12.034 1.00 49.72 H new ATOM 771 N LYS A 58 -7.067 -1.406 -9.642 1.00 49.53 N ATOM 772 CA LYS A 58 -7.598 -0.329 -8.816 1.00 50.07 C ATOM 773 C LYS A 58 -7.294 1.033 -9.425 1.00 50.51 C ATOM 774 O LYS A 58 -8.096 1.962 -9.323 1.00 49.49 O ATOM 775 CB LYS A 58 -7.027 -0.410 -7.399 1.00 49.82 C ATOM 776 CG LYS A 58 -7.525 -1.599 -6.587 1.00 49.82 C ATOM 777 CD LYS A 58 -6.854 -1.657 -5.223 1.00 49.82 C ATOM 778 CE LYS A 58 -7.309 -2.875 -4.432 1.00 50.21 C ATOM 779 NZ LYS A 58 -6.672 -2.937 -3.089 1.00 49.70 N ATOM 0 H LYS A 58 -6.327 -1.951 -9.199 1.00 49.53 H new ATOM 0 HA LYS A 58 -8.681 -0.448 -8.769 1.00 50.07 H new ATOM 0 HB2 LYS A 58 -5.940 -0.457 -7.461 1.00 49.82 H new ATOM 0 HB3 LYS A 58 -7.276 0.508 -6.867 1.00 49.82 H new ATOM 0 HG2 LYS A 58 -8.605 -1.529 -6.460 1.00 49.82 H new ATOM 0 HG3 LYS A 58 -7.327 -2.522 -7.131 1.00 49.82 H new ATOM 0 HD2 LYS A 58 -5.772 -1.687 -5.349 1.00 49.82 H new ATOM 0 HD3 LYS A 58 -7.085 -0.751 -4.663 1.00 49.82 H new ATOM 0 HE2 LYS A 58 -8.393 -2.849 -4.318 1.00 50.21 H new ATOM 0 HE3 LYS A 58 -7.068 -3.780 -4.990 1.00 50.21 H new ATOM 0 HZ1 LYS A 58 -7.009 -3.781 -2.584 1.00 49.70 H new ATOM 0 HZ2 LYS A 58 -5.639 -2.987 -3.197 1.00 49.70 H new ATOM 0 HZ3 LYS A 58 -6.922 -2.086 -2.546 1.00 49.70 H new ATOM 793 N LYS A 59 -6.133 1.147 -10.059 1.00 49.53 N ATOM 794 CA LYS A 59 -5.722 2.397 -10.688 1.00 50.07 C ATOM 795 C LYS A 59 -4.639 2.157 -11.732 1.00 50.51 C ATOM 796 O LYS A 59 -4.163 3.095 -12.373 1.00 49.49 O ATOM 797 CB LYS A 59 -5.227 3.389 -9.635 1.00 49.82 C ATOM 798 CG LYS A 59 -4.800 4.740 -10.195 1.00 49.82 C ATOM 799 CD LYS A 59 -6.003 5.569 -10.617 1.00 49.82 C ATOM 800 CE LYS A 59 -5.578 6.918 -11.178 1.00 50.21 C ATOM 801 NZ LYS A 59 -6.732 7.685 -11.721 1.00 49.70 N ATOM 0 H LYS A 59 -5.458 0.388 -10.151 1.00 49.53 H new ATOM 0 HA LYS A 59 -6.592 2.820 -11.190 1.00 50.07 H new ATOM 0 HB2 LYS A 59 -6.018 3.547 -8.902 1.00 49.82 H new ATOM 0 HB3 LYS A 59 -4.384 2.946 -9.104 1.00 49.82 H new ATOM 0 HG2 LYS A 59 -4.227 5.283 -9.443 1.00 49.82 H new ATOM 0 HG3 LYS A 59 -4.141 4.590 -11.050 1.00 49.82 H new ATOM 0 HD2 LYS A 59 -6.576 5.025 -11.368 1.00 49.82 H new ATOM 0 HD3 LYS A 59 -6.661 5.720 -9.761 1.00 49.82 H new ATOM 0 HE2 LYS A 59 -5.093 7.500 -10.394 1.00 50.21 H new ATOM 0 HE3 LYS A 59 -4.840 6.767 -11.966 1.00 50.21 H new ATOM 0 HZ1 LYS A 59 -6.398 8.597 -12.093 1.00 49.70 H new ATOM 0 HZ2 LYS A 59 -7.180 7.142 -12.486 1.00 49.70 H new ATOM 0 HZ3 LYS A 59 -7.425 7.852 -10.964 1.00 49.70 H new TER 815 LYS A 59