USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 43 CYS SG : rot 120:sc= -0.295 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 14 MET CE :methyl -119:sc= -0.18 (180deg=-0.328) USER MOD Single : A 15 CYS SG : rot 72:sc= 0.285 USER MOD Single : A 16 MET CE :methyl -161:sc= -0.182 (180deg=-0.678) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 37:sc= 0.113 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -171:sc= -0.0188 (180deg=-0.115) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.114 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0694 K(o=-0.069,f=-0.66) USER MOD Single : A 68 MET CE :methyl -156:sc= -0.885 (180deg=-1.81) USER MOD Single : A 70 MET CE :methyl 166:sc= -0.0228 (180deg=-0.286) USER MOD Single : A 73 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 9 0.004 2.654 -1.083 1.00 0.00 N ATOM 21 CA GLY A 9 0.926 3.782 -1.149 1.00 0.00 C ATOM 22 C GLY A 9 1.143 4.397 0.228 1.00 0.00 C ATOM 23 O GLY A 9 2.153 5.057 0.471 1.00 0.00 O ATOM 0 HA2 GLY A 9 1.881 3.451 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.533 4.537 -1.830 1.00 0.00 H new ATOM 27 N TRP A 10 0.188 4.177 1.125 1.00 0.00 N ATOM 28 CA TRP A 10 0.310 4.639 2.503 1.00 0.00 C ATOM 29 C TRP A 10 1.592 4.124 3.145 1.00 0.00 C ATOM 30 O TRP A 10 2.265 4.849 3.877 1.00 0.00 O ATOM 31 CB TRP A 10 -0.896 4.184 3.327 1.00 0.00 C ATOM 32 CG TRP A 10 -0.835 4.612 4.762 1.00 0.00 C ATOM 33 CD1 TRP A 10 -1.235 5.810 5.273 1.00 0.00 C ATOM 34 CD2 TRP A 10 -0.344 3.841 5.885 1.00 0.00 C ATOM 35 NE1 TRP A 10 -1.027 5.839 6.630 1.00 0.00 N ATOM 36 CE2 TRP A 10 -0.483 4.642 7.021 1.00 0.00 C ATOM 37 CE3 TRP A 10 0.195 2.554 6.015 1.00 0.00 C ATOM 38 CZ2 TRP A 10 -0.101 4.203 8.280 1.00 0.00 C ATOM 39 CZ3 TRP A 10 0.576 2.114 7.277 1.00 0.00 C ATOM 40 CH2 TRP A 10 0.431 2.917 8.379 1.00 0.00 C ATOM 0 H TRP A 10 -0.680 3.681 0.922 1.00 0.00 H new ATOM 0 HA TRP A 10 0.345 5.728 2.486 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.805 4.581 2.876 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -0.967 3.097 3.283 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -1.655 6.620 4.695 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -1.242 6.623 7.247 1.00 0.00 H new ATOM 0 HE3 TRP A 10 0.312 1.916 5.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.211 4.833 9.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.993 1.124 7.392 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.736 2.545 9.346 1.00 0.00 H new ATOM 51 N LEU A 11 1.925 2.869 2.866 1.00 0.00 N ATOM 52 CA LEU A 11 3.140 2.262 3.395 1.00 0.00 C ATOM 53 C LEU A 11 4.383 2.970 2.869 1.00 0.00 C ATOM 54 O LEU A 11 5.320 3.240 3.620 1.00 0.00 O ATOM 55 CB LEU A 11 3.196 0.775 3.024 1.00 0.00 C ATOM 56 CG LEU A 11 4.409 0.002 3.555 1.00 0.00 C ATOM 57 CD1 LEU A 11 4.406 0.033 5.078 1.00 0.00 C ATOM 58 CD2 LEU A 11 4.366 -1.429 3.038 1.00 0.00 C ATOM 0 H LEU A 11 1.369 2.251 2.275 1.00 0.00 H new ATOM 0 HA LEU A 11 3.119 2.363 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.291 0.293 3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.181 0.690 1.937 1.00 0.00 H new ATOM 0 HG LEU A 11 5.330 0.468 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.269 -0.517 5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.456 1.066 5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.491 -0.429 5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.228 -1.978 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.450 -1.912 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.388 -1.423 1.948 1.00 0.00 H new ATOM 70 N GLN A 12 4.384 3.267 1.574 1.00 0.00 N ATOM 71 CA GLN A 12 5.482 4.004 0.959 1.00 0.00 C ATOM 72 C GLN A 12 5.647 5.379 1.594 1.00 0.00 C ATOM 73 O GLN A 12 6.767 5.836 1.824 1.00 0.00 O ATOM 74 CB GLN A 12 5.251 4.149 -0.548 1.00 0.00 C ATOM 75 CG GLN A 12 6.353 4.901 -1.276 1.00 0.00 C ATOM 76 CD GLN A 12 6.116 4.966 -2.773 1.00 0.00 C ATOM 77 OE1 GLN A 12 5.087 4.504 -3.274 1.00 0.00 O ATOM 78 NE2 GLN A 12 7.070 5.541 -3.497 1.00 0.00 N ATOM 0 H GLN A 12 3.637 3.009 0.930 1.00 0.00 H new ATOM 0 HA GLN A 12 6.398 3.438 1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.153 3.156 -0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.305 4.665 -0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.423 5.913 -0.878 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.310 4.415 -1.083 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.904 5.909 -3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.968 5.614 -4.509 1.00 0.00 H new ATOM 87 N GLU A 13 4.526 6.033 1.876 1.00 0.00 N ATOM 88 CA GLU A 13 4.543 7.333 2.536 1.00 0.00 C ATOM 89 C GLU A 13 5.200 7.246 3.908 1.00 0.00 C ATOM 90 O GLU A 13 6.054 8.063 4.251 1.00 0.00 O ATOM 91 CB GLU A 13 3.121 7.880 2.675 1.00 0.00 C ATOM 92 CG GLU A 13 2.485 8.319 1.364 1.00 0.00 C ATOM 93 CD GLU A 13 1.030 8.668 1.507 1.00 0.00 C ATOM 94 OE1 GLU A 13 0.497 8.487 2.576 1.00 0.00 O ATOM 95 OE2 GLU A 13 0.450 9.117 0.547 1.00 0.00 O1- ATOM 0 H GLU A 13 3.593 5.684 1.658 1.00 0.00 H new ATOM 0 HA GLU A 13 5.129 8.012 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.493 7.114 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.136 8.728 3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.024 9.183 0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.591 7.521 0.629 1.00 0.00 H new ATOM 102 N MET A 14 4.797 6.250 4.689 1.00 0.00 N ATOM 103 CA MET A 14 5.365 6.038 6.015 1.00 0.00 C ATOM 104 C MET A 14 6.848 5.702 5.932 1.00 0.00 C ATOM 105 O MET A 14 7.643 6.147 6.760 1.00 0.00 O ATOM 106 CB MET A 14 4.607 4.929 6.743 1.00 0.00 C ATOM 107 CG MET A 14 3.165 5.273 7.088 1.00 0.00 C ATOM 108 SD MET A 14 3.027 6.766 8.090 1.00 0.00 S ATOM 109 CE MET A 14 3.719 6.198 9.641 1.00 0.00 C ATOM 0 H MET A 14 4.078 5.576 4.426 1.00 0.00 H new ATOM 0 HA MET A 14 5.263 6.965 6.579 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.615 4.033 6.123 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.139 4.685 7.662 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.597 5.404 6.167 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.715 4.438 7.624 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.966 6.276 10.425 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.033 5.159 9.541 1.00 0.00 H new ATOM 0 HE3 MET A 14 4.580 6.813 9.902 1.00 0.00 H new ATOM 119 N CYS A 15 7.216 4.914 4.927 1.00 0.00 N ATOM 120 CA CYS A 15 8.613 4.571 4.694 1.00 0.00 C ATOM 121 C CYS A 15 9.456 5.819 4.461 1.00 0.00 C ATOM 122 O CYS A 15 10.517 5.985 5.063 1.00 0.00 O ATOM 123 CB CYS A 15 8.745 3.641 3.488 1.00 0.00 C ATOM 124 SG CYS A 15 8.130 1.965 3.778 1.00 0.00 S ATOM 0 H CYS A 15 6.564 4.501 4.260 1.00 0.00 H new ATOM 0 HA CYS A 15 8.977 4.062 5.586 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.204 4.075 2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.794 3.586 3.198 1.00 0.00 H new ATOM 0 HG CYS A 15 6.832 1.985 3.845 1.00 0.00 H new ATOM 130 N MET A 16 8.977 6.695 3.585 1.00 0.00 N ATOM 131 CA MET A 16 9.667 7.946 3.297 1.00 0.00 C ATOM 132 C MET A 16 9.806 8.800 4.551 1.00 0.00 C ATOM 133 O MET A 16 10.849 9.409 4.786 1.00 0.00 O ATOM 134 CB MET A 16 8.927 8.718 2.206 1.00 0.00 C ATOM 135 CG MET A 16 9.036 8.106 0.817 1.00 0.00 C ATOM 136 SD MET A 16 8.381 9.185 -0.472 1.00 0.00 S ATOM 137 CE MET A 16 6.621 9.030 -0.181 1.00 0.00 C ATOM 0 H MET A 16 8.112 6.561 3.061 1.00 0.00 H new ATOM 0 HA MET A 16 10.669 7.706 2.942 1.00 0.00 H new ATOM 0 HB2 MET A 16 7.874 8.787 2.478 1.00 0.00 H new ATOM 0 HB3 MET A 16 9.314 9.736 2.172 1.00 0.00 H new ATOM 0 HG2 MET A 16 10.082 7.884 0.603 1.00 0.00 H new ATOM 0 HG3 MET A 16 8.499 7.158 0.799 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.076 9.347 -1.070 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.379 7.991 0.042 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.335 9.658 0.663 1.00 0.00 H new ATOM 147 N GLN A 17 8.748 8.839 5.354 1.00 0.00 N ATOM 148 CA GLN A 17 8.769 9.574 6.613 1.00 0.00 C ATOM 149 C GLN A 17 9.784 8.980 7.581 1.00 0.00 C ATOM 150 O GLN A 17 10.381 9.695 8.385 1.00 0.00 O ATOM 151 CB GLN A 17 7.378 9.581 7.253 1.00 0.00 C ATOM 152 CG GLN A 17 6.363 10.447 6.527 1.00 0.00 C ATOM 153 CD GLN A 17 4.983 10.370 7.152 1.00 0.00 C ATOM 154 OE1 GLN A 17 4.778 9.676 8.152 1.00 0.00 O ATOM 155 NE2 GLN A 17 4.028 11.082 6.567 1.00 0.00 N ATOM 0 H GLN A 17 7.865 8.370 5.155 1.00 0.00 H new ATOM 0 HA GLN A 17 9.065 10.600 6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.004 8.558 7.293 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.466 9.929 8.282 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.704 11.482 6.532 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.304 10.136 5.484 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.242 11.642 5.742 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.080 11.069 6.943 1.00 0.00 H new ATOM 164 N ARG A 18 9.974 7.668 7.498 1.00 0.00 N ATOM 165 CA ARG A 18 10.934 6.978 8.352 1.00 0.00 C ATOM 166 C ARG A 18 12.317 6.947 7.714 1.00 0.00 C ATOM 167 O ARG A 18 13.239 6.324 8.239 1.00 0.00 O ATOM 168 CB ARG A 18 10.476 5.554 8.630 1.00 0.00 C ATOM 169 CG ARG A 18 9.265 5.438 9.543 1.00 0.00 C ATOM 170 CD ARG A 18 8.798 4.033 9.661 1.00 0.00 C ATOM 171 NE ARG A 18 8.206 3.552 8.423 1.00 0.00 N ATOM 172 CZ ARG A 18 7.590 2.363 8.280 1.00 0.00 C ATOM 173 NH1 ARG A 18 7.493 1.546 9.306 1.00 0.00 N1+ ATOM 174 NH2 ARG A 18 7.083 2.017 7.110 1.00 0.00 N ATOM 0 H ARG A 18 9.476 7.060 6.848 1.00 0.00 H new ATOM 0 HA ARG A 18 10.993 7.530 9.290 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.245 5.070 7.681 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.303 5.002 9.076 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.517 5.822 10.532 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.457 6.059 9.156 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.637 3.393 9.934 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.066 3.960 10.466 1.00 0.00 H new ATOM 0 HE ARG A 18 8.261 4.158 7.605 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.884 1.813 10.209 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.027 0.645 9.198 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.158 2.651 6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.617 1.116 7.003 1.00 0.00 H new ATOM 188 N ARG A 19 12.454 7.625 6.580 1.00 0.00 N ATOM 189 CA ARG A 19 13.737 7.714 5.891 1.00 0.00 C ATOM 190 C ARG A 19 14.210 6.343 5.427 1.00 0.00 C ATOM 191 O ARG A 19 15.410 6.081 5.356 1.00 0.00 O ATOM 192 CB ARG A 19 14.790 8.329 6.801 1.00 0.00 C ATOM 193 CG ARG A 19 14.474 9.735 7.287 1.00 0.00 C ATOM 194 CD ARG A 19 15.511 10.239 8.223 1.00 0.00 C ATOM 195 NE ARG A 19 15.129 11.506 8.825 1.00 0.00 N ATOM 196 CZ ARG A 19 15.863 12.172 9.738 1.00 0.00 C ATOM 197 NH1 ARG A 19 17.012 11.679 10.143 1.00 0.00 N1+ ATOM 198 NH2 ARG A 19 15.427 13.320 10.226 1.00 0.00 N ATOM 0 H ARG A 19 11.692 8.121 6.118 1.00 0.00 H new ATOM 0 HA ARG A 19 13.596 8.350 5.017 1.00 0.00 H new ATOM 0 HB2 ARG A 19 14.923 7.682 7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 19 15.741 8.349 6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.398 10.407 6.432 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.503 9.739 7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 19 15.681 9.501 9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.454 10.360 7.689 1.00 0.00 H new ATOM 0 HE ARG A 19 14.243 11.920 8.536 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.348 10.793 9.766 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.568 12.183 10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.535 13.702 9.912 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.982 13.824 10.917 1.00 0.00 H new ATOM 212 N TRP A 20 13.259 5.470 5.112 1.00 0.00 N ATOM 213 CA TRP A 20 13.576 4.143 4.599 1.00 0.00 C ATOM 214 C TRP A 20 13.265 4.038 3.111 1.00 0.00 C ATOM 215 O TRP A 20 12.413 4.760 2.593 1.00 0.00 O ATOM 216 CB TRP A 20 12.793 3.074 5.364 1.00 0.00 C ATOM 217 CG TRP A 20 13.221 2.928 6.793 1.00 0.00 C ATOM 218 CD1 TRP A 20 14.350 3.436 7.362 1.00 0.00 C ATOM 219 CD2 TRP A 20 12.523 2.222 7.848 1.00 0.00 C ATOM 220 NE1 TRP A 20 14.404 3.096 8.691 1.00 0.00 N ATOM 221 CE2 TRP A 20 13.293 2.354 9.006 1.00 0.00 C ATOM 222 CE3 TRP A 20 11.324 1.500 7.900 1.00 0.00 C ATOM 223 CZ2 TRP A 20 12.908 1.789 10.212 1.00 0.00 C ATOM 224 CZ3 TRP A 20 10.937 0.935 9.110 1.00 0.00 C ATOM 225 CH2 TRP A 20 11.709 1.077 10.235 1.00 0.00 C ATOM 0 H TRP A 20 12.261 5.658 5.203 1.00 0.00 H new ATOM 0 HA TRP A 20 14.644 3.980 4.742 1.00 0.00 H new ATOM 0 HB2 TRP A 20 11.732 3.321 5.334 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.912 2.116 4.858 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.094 4.021 6.843 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.149 3.353 9.339 1.00 0.00 H new ATOM 0 HE3 TRP A 20 10.712 1.384 7.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 13.513 1.896 11.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 10.015 0.376 9.165 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.381 0.627 11.160 1.00 0.00 H new ATOM 236 N PRO A 21 13.960 3.134 2.429 1.00 0.00 N ATOM 237 CA PRO A 21 13.698 2.871 1.019 1.00 0.00 C ATOM 238 C PRO A 21 12.238 2.503 0.789 1.00 0.00 C ATOM 239 O PRO A 21 11.641 1.769 1.577 1.00 0.00 O ATOM 240 CB PRO A 21 14.632 1.697 0.708 1.00 0.00 C ATOM 241 CG PRO A 21 15.732 1.832 1.705 1.00 0.00 C ATOM 242 CD PRO A 21 15.045 2.299 2.960 1.00 0.00 C ATOM 0 HA PRO A 21 13.875 3.735 0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.118 0.741 0.809 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.011 1.749 -0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.244 0.883 1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.483 2.549 1.373 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.665 1.465 3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.717 2.866 3.605 1.00 0.00 H new ATOM 250 N PRO A 22 11.667 3.017 -0.295 1.00 0.00 N ATOM 251 CA PRO A 22 10.310 2.658 -0.689 1.00 0.00 C ATOM 252 C PRO A 22 10.143 1.146 -0.776 1.00 0.00 C ATOM 253 O PRO A 22 11.100 0.421 -1.050 1.00 0.00 O ATOM 254 CB PRO A 22 10.163 3.322 -2.062 1.00 0.00 C ATOM 255 CG PRO A 22 11.099 4.481 -2.009 1.00 0.00 C ATOM 256 CD PRO A 22 12.286 3.969 -1.238 1.00 0.00 C ATOM 0 HA PRO A 22 9.553 2.984 0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.425 2.635 -2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.138 3.646 -2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.385 4.807 -3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.643 5.338 -1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.013 3.482 -1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.810 4.772 -0.719 1.00 0.00 H new ATOM 264 N PRO A 23 8.923 0.676 -0.542 1.00 0.00 N ATOM 265 CA PRO A 23 8.626 -0.750 -0.606 1.00 0.00 C ATOM 266 C PRO A 23 8.777 -1.281 -2.025 1.00 0.00 C ATOM 267 O PRO A 23 8.394 -0.620 -2.990 1.00 0.00 O ATOM 268 CB PRO A 23 7.172 -0.821 -0.128 1.00 0.00 C ATOM 269 CG PRO A 23 6.623 0.533 -0.424 1.00 0.00 C ATOM 270 CD PRO A 23 7.769 1.470 -0.150 1.00 0.00 C ATOM 0 HA PRO A 23 9.301 -1.359 -0.004 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.618 -1.599 -0.653 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.113 -1.051 0.936 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.287 0.608 -1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.764 0.760 0.208 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.691 2.388 -0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.814 1.761 0.900 1.00 0.00 H new ATOM 278 N SER A 24 9.337 -2.480 -2.146 1.00 0.00 N ATOM 279 CA SER A 24 9.490 -3.127 -3.443 1.00 0.00 C ATOM 280 C SER A 24 8.485 -4.258 -3.617 1.00 0.00 C ATOM 281 O SER A 24 8.509 -5.242 -2.877 1.00 0.00 O ATOM 282 CB SER A 24 10.900 -3.663 -3.596 1.00 0.00 C ATOM 283 OG SER A 24 11.046 -4.355 -4.806 1.00 0.00 O ATOM 0 H SER A 24 9.693 -3.024 -1.360 1.00 0.00 H new ATOM 0 HA SER A 24 9.301 -2.381 -4.215 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.612 -2.839 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.133 -4.326 -2.763 1.00 0.00 H new ATOM 0 HG SER A 24 11.964 -4.690 -4.883 1.00 0.00 H new ATOM 289 N TYR A 25 7.602 -4.113 -4.599 1.00 0.00 N ATOM 290 CA TYR A 25 6.557 -5.099 -4.842 1.00 0.00 C ATOM 291 C TYR A 25 6.930 -6.027 -5.991 1.00 0.00 C ATOM 292 O TYR A 25 7.444 -5.583 -7.018 1.00 0.00 O ATOM 293 CB TYR A 25 5.223 -4.406 -5.132 1.00 0.00 C ATOM 294 CG TYR A 25 4.615 -3.724 -3.927 1.00 0.00 C ATOM 295 CD1 TYR A 25 4.915 -2.397 -3.656 1.00 0.00 C ATOM 296 CD2 TYR A 25 3.758 -4.425 -3.092 1.00 0.00 C ATOM 297 CE1 TYR A 25 4.359 -1.774 -2.555 1.00 0.00 C ATOM 298 CE2 TYR A 25 3.203 -3.802 -1.991 1.00 0.00 C ATOM 299 CZ TYR A 25 3.501 -2.482 -1.722 1.00 0.00 C ATOM 300 OH TYR A 25 2.947 -1.861 -0.626 1.00 0.00 O ATOM 0 H TYR A 25 7.590 -3.320 -5.241 1.00 0.00 H new ATOM 0 HA TYR A 25 6.452 -5.703 -3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.372 -3.667 -5.919 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.517 -5.143 -5.515 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.583 -1.851 -4.305 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.524 -5.458 -3.303 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.590 -0.741 -2.343 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.536 -4.348 -1.341 1.00 0.00 H new ATOM 0 HH TYR A 25 2.841 -0.904 -0.811 1.00 0.00 H new ATOM 310 N GLU A 26 6.670 -7.318 -5.811 1.00 0.00 N ATOM 311 CA GLU A 26 6.877 -8.296 -6.872 1.00 0.00 C ATOM 312 C GLU A 26 5.629 -9.139 -7.096 1.00 0.00 C ATOM 313 O GLU A 26 5.141 -9.799 -6.178 1.00 0.00 O ATOM 314 CB GLU A 26 8.064 -9.203 -6.538 1.00 0.00 C ATOM 315 CG GLU A 26 8.431 -10.188 -7.638 1.00 0.00 C ATOM 316 CD GLU A 26 9.738 -10.887 -7.384 1.00 0.00 C ATOM 317 OE1 GLU A 26 9.817 -11.636 -6.441 1.00 0.00 O ATOM 318 OE2 GLU A 26 10.660 -10.671 -8.136 1.00 0.00 O1- ATOM 0 H GLU A 26 6.315 -7.711 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 26 7.091 -7.750 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.932 -8.580 -6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.836 -9.760 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.639 -10.931 -7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.486 -9.659 -8.589 1.00 0.00 H new ATOM 325 N THR A 27 5.115 -9.113 -8.321 1.00 0.00 N ATOM 326 CA THR A 27 3.855 -9.776 -8.637 1.00 0.00 C ATOM 327 C THR A 27 4.094 -11.149 -9.251 1.00 0.00 C ATOM 328 O THR A 27 4.891 -11.295 -10.178 1.00 0.00 O ATOM 329 CB THR A 27 3.005 -8.921 -9.596 1.00 0.00 C ATOM 330 OG1 THR A 27 2.699 -7.665 -8.977 1.00 0.00 O ATOM 331 CG2 THR A 27 1.711 -9.639 -9.945 1.00 0.00 C ATOM 0 H THR A 27 5.552 -8.640 -9.112 1.00 0.00 H new ATOM 0 HA THR A 27 3.312 -9.901 -7.700 1.00 0.00 H new ATOM 0 HB THR A 27 3.574 -8.754 -10.511 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.160 -7.122 -9.589 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.123 -9.020 -10.623 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.941 -10.589 -10.427 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.140 -9.823 -9.035 1.00 0.00 H new ATOM 339 N GLU A 28 3.399 -12.154 -8.729 1.00 0.00 N ATOM 340 CA GLU A 28 3.483 -13.506 -9.269 1.00 0.00 C ATOM 341 C GLU A 28 2.295 -13.812 -10.173 1.00 0.00 C ATOM 342 O GLU A 28 1.258 -13.153 -10.095 1.00 0.00 O ATOM 343 CB GLU A 28 3.551 -14.530 -8.135 1.00 0.00 C ATOM 344 CG GLU A 28 4.791 -14.418 -7.260 1.00 0.00 C ATOM 345 CD GLU A 28 4.833 -15.452 -6.169 1.00 0.00 C ATOM 346 OE1 GLU A 28 3.897 -16.207 -6.056 1.00 0.00 O ATOM 347 OE2 GLU A 28 5.802 -15.487 -5.448 1.00 0.00 O1- ATOM 0 H GLU A 28 2.770 -12.057 -7.931 1.00 0.00 H new ATOM 0 HA GLU A 28 4.394 -13.571 -9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.667 -14.418 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.513 -15.532 -8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.680 -14.519 -7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.826 -13.424 -6.813 1.00 0.00 H new ATOM 354 N THR A 29 2.453 -14.815 -11.029 1.00 0.00 N ATOM 355 CA THR A 29 1.394 -15.209 -11.951 1.00 0.00 C ATOM 356 C THR A 29 0.150 -15.666 -11.200 1.00 0.00 C ATOM 357 O THR A 29 0.240 -16.429 -10.238 1.00 0.00 O ATOM 358 CB THR A 29 1.869 -16.330 -12.895 1.00 0.00 C ATOM 359 OG1 THR A 29 3.014 -15.883 -13.633 1.00 0.00 O ATOM 360 CG2 THR A 29 0.763 -16.714 -13.866 1.00 0.00 C ATOM 0 H THR A 29 3.305 -15.371 -11.104 1.00 0.00 H new ATOM 0 HA THR A 29 1.141 -14.331 -12.545 1.00 0.00 H new ATOM 0 HB THR A 29 2.131 -17.202 -12.296 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.316 -16.597 -14.232 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.116 -17.507 -14.525 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.105 -17.066 -13.308 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.484 -15.845 -14.462 1.00 0.00 H new ATOM 368 N GLU A 30 -1.010 -15.194 -11.644 1.00 0.00 N ATOM 369 CA GLU A 30 -2.273 -15.542 -11.005 1.00 0.00 C ATOM 370 C GLU A 30 -2.515 -17.045 -11.044 1.00 0.00 C ATOM 371 O GLU A 30 -2.147 -17.718 -12.007 1.00 0.00 O ATOM 372 CB GLU A 30 -3.434 -14.812 -11.685 1.00 0.00 C ATOM 373 CG GLU A 30 -3.675 -15.223 -13.130 1.00 0.00 C ATOM 374 CD GLU A 30 -2.760 -14.525 -14.098 1.00 0.00 C ATOM 375 OE1 GLU A 30 -1.975 -13.716 -13.665 1.00 0.00 O ATOM 376 OE2 GLU A 30 -2.847 -14.801 -15.271 1.00 0.00 O1- ATOM 0 H GLU A 30 -1.101 -14.569 -12.445 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.215 -15.230 -9.962 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.344 -14.990 -11.113 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.242 -13.740 -11.652 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.540 -16.301 -13.223 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.710 -15.007 -13.396 1.00 0.00 H new ATOM 383 N VAL A 31 -3.134 -17.567 -9.991 1.00 0.00 N ATOM 384 CA VAL A 31 -3.376 -19.001 -9.877 1.00 0.00 C ATOM 385 C VAL A 31 -4.845 -19.291 -9.598 1.00 0.00 C ATOM 386 O VAL A 31 -5.178 -20.268 -8.926 1.00 0.00 O ATOM 387 CB VAL A 31 -2.514 -19.600 -8.750 1.00 0.00 C ATOM 388 CG1 VAL A 31 -1.038 -19.520 -9.109 1.00 0.00 C ATOM 389 CG2 VAL A 31 -2.791 -18.872 -7.443 1.00 0.00 C ATOM 0 H VAL A 31 -3.478 -17.018 -9.203 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.105 -19.460 -10.828 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.775 -20.651 -8.626 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.443 -19.948 -8.302 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.856 -20.077 -10.028 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.755 -18.478 -9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.178 -19.301 -6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.549 -17.815 -7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.845 -18.977 -7.184 1.00 0.00 H new ATOM 399 N GLY A 32 -5.721 -18.438 -10.117 1.00 0.00 N ATOM 400 CA GLY A 32 -7.154 -18.580 -9.893 1.00 0.00 C ATOM 401 C GLY A 32 -7.872 -19.006 -11.168 1.00 0.00 C ATOM 402 O GLY A 32 -7.310 -19.717 -12.000 1.00 0.00 O ATOM 0 H GLY A 32 -5.463 -17.640 -10.697 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.331 -19.317 -9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.565 -17.634 -9.540 1.00 0.00 H new ATOM 406 N LEU A 33 -9.117 -18.565 -11.315 1.00 0.00 N ATOM 407 CA LEU A 33 -9.931 -18.940 -12.464 1.00 0.00 C ATOM 408 C LEU A 33 -9.911 -17.854 -13.532 1.00 0.00 C ATOM 409 O LEU A 33 -9.590 -16.700 -13.251 1.00 0.00 O ATOM 410 CB LEU A 33 -11.377 -19.208 -12.025 1.00 0.00 C ATOM 411 CG LEU A 33 -11.556 -20.279 -10.943 1.00 0.00 C ATOM 412 CD1 LEU A 33 -13.025 -20.368 -10.553 1.00 0.00 C ATOM 413 CD2 LEU A 33 -11.045 -21.616 -11.461 1.00 0.00 C ATOM 0 H LEU A 33 -9.584 -17.947 -10.652 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.508 -19.849 -12.891 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.805 -18.274 -11.660 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.954 -19.503 -12.901 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.981 -20.012 -10.056 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.152 -21.130 -9.784 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.358 -19.404 -10.168 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -13.618 -20.634 -11.428 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.172 -22.377 -10.691 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.608 -21.901 -12.350 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.988 -21.529 -11.713 1.00 0.00 H new ATOM 425 N PRO A 34 -10.255 -18.231 -14.759 1.00 0.00 N ATOM 426 CA PRO A 34 -10.320 -17.281 -15.863 1.00 0.00 C ATOM 427 C PRO A 34 -11.232 -16.108 -15.527 1.00 0.00 C ATOM 428 O PRO A 34 -10.965 -14.970 -15.913 1.00 0.00 O ATOM 429 CB PRO A 34 -10.883 -18.124 -17.011 1.00 0.00 C ATOM 430 CG PRO A 34 -10.446 -19.513 -16.693 1.00 0.00 C ATOM 431 CD PRO A 34 -10.569 -19.610 -15.196 1.00 0.00 C ATOM 0 HA PRO A 34 -9.357 -16.830 -16.101 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -11.969 -18.050 -17.064 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.494 -17.795 -17.975 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.074 -20.251 -17.192 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.422 -19.692 -17.020 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.570 -19.915 -14.890 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.873 -20.337 -14.778 1.00 0.00 H new ATOM 439 N HIS A 35 -12.311 -16.392 -14.806 1.00 0.00 N ATOM 440 CA HIS A 35 -13.292 -15.370 -14.459 1.00 0.00 C ATOM 441 C HIS A 35 -13.114 -14.902 -13.020 1.00 0.00 C ATOM 442 O HIS A 35 -13.708 -13.908 -12.603 1.00 0.00 O ATOM 443 CB HIS A 35 -14.717 -15.897 -14.658 1.00 0.00 C ATOM 444 CG HIS A 35 -15.026 -16.275 -16.073 1.00 0.00 C ATOM 445 ND1 HIS A 35 -15.124 -15.345 -17.086 1.00 0.00 N ATOM 446 CD2 HIS A 35 -15.260 -17.480 -16.643 1.00 0.00 C ATOM 447 CE1 HIS A 35 -15.405 -15.964 -18.221 1.00 0.00 C ATOM 448 NE2 HIS A 35 -15.492 -17.259 -17.978 1.00 0.00 N ATOM 0 H HIS A 35 -12.529 -17.323 -14.450 1.00 0.00 H new ATOM 0 HA HIS A 35 -13.130 -14.521 -15.123 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.866 -16.767 -14.018 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -15.425 -15.136 -14.331 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -15.264 -18.436 -16.141 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.540 -15.491 -19.182 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.698 -17.979 -18.670 1.00 0.00 H new ATOM 455 N GLU A 36 -12.293 -15.625 -12.265 1.00 0.00 N ATOM 456 CA GLU A 36 -11.996 -15.256 -10.886 1.00 0.00 C ATOM 457 C GLU A 36 -10.525 -15.479 -10.561 1.00 0.00 C ATOM 458 O GLU A 36 -10.178 -16.380 -9.797 1.00 0.00 O ATOM 459 CB GLU A 36 -12.870 -16.059 -9.920 1.00 0.00 C ATOM 460 CG GLU A 36 -12.829 -15.568 -8.480 1.00 0.00 C ATOM 461 CD GLU A 36 -13.666 -16.404 -7.552 1.00 0.00 C ATOM 462 OE1 GLU A 36 -14.230 -17.373 -8.002 1.00 0.00 O ATOM 463 OE2 GLU A 36 -13.742 -16.074 -6.392 1.00 0.00 O1- ATOM 0 H GLU A 36 -11.821 -16.471 -12.586 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.215 -14.195 -10.770 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.901 -16.030 -10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.554 -17.102 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.797 -15.569 -8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.176 -14.536 -8.444 1.00 0.00 H new ATOM 470 N ARG A 37 -9.663 -14.653 -11.145 1.00 0.00 N ATOM 471 CA ARG A 37 -8.222 -14.817 -10.994 1.00 0.00 C ATOM 472 C ARG A 37 -7.778 -14.504 -9.571 1.00 0.00 C ATOM 473 O ARG A 37 -8.307 -13.595 -8.931 1.00 0.00 O ATOM 474 CB ARG A 37 -7.476 -13.914 -11.965 1.00 0.00 C ATOM 475 CG ARG A 37 -7.630 -14.286 -13.431 1.00 0.00 C ATOM 476 CD ARG A 37 -6.943 -13.314 -14.320 1.00 0.00 C ATOM 477 NE ARG A 37 -7.612 -12.023 -14.330 1.00 0.00 N ATOM 478 CZ ARG A 37 -7.148 -10.926 -14.960 1.00 0.00 C ATOM 479 NH1 ARG A 37 -6.015 -10.980 -15.625 1.00 0.00 N1+ ATOM 480 NH2 ARG A 37 -7.831 -9.796 -14.909 1.00 0.00 N ATOM 0 H ARG A 37 -9.938 -13.862 -11.728 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.986 -15.858 -11.214 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.823 -12.890 -11.826 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.416 -13.928 -11.711 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.222 -15.283 -13.598 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.689 -14.328 -13.687 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.912 -13.186 -13.990 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.907 -13.712 -15.334 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.494 -11.942 -13.825 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.488 -11.852 -15.664 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.664 -10.150 -16.102 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.710 -9.754 -14.393 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.480 -8.966 -15.386 1.00 0.00 H new ATOM 494 N LEU A 38 -6.803 -15.262 -9.081 1.00 0.00 N ATOM 495 CA LEU A 38 -6.255 -15.038 -7.748 1.00 0.00 C ATOM 496 C LEU A 38 -4.792 -14.619 -7.818 1.00 0.00 C ATOM 497 O LEU A 38 -3.957 -15.336 -8.369 1.00 0.00 O ATOM 498 CB LEU A 38 -6.390 -16.308 -6.900 1.00 0.00 C ATOM 499 CG LEU A 38 -7.821 -16.816 -6.685 1.00 0.00 C ATOM 500 CD1 LEU A 38 -7.784 -18.136 -5.927 1.00 0.00 C ATOM 501 CD2 LEU A 38 -8.622 -15.770 -5.923 1.00 0.00 C ATOM 0 H LEU A 38 -6.376 -16.037 -9.587 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.822 -14.231 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.810 -17.101 -7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.940 -16.121 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.304 -16.986 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.801 -18.497 -5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.221 -18.871 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.303 -17.987 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.639 -16.131 -5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.153 -15.586 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.648 -14.843 -6.496 1.00 0.00 H new ATOM 513 N PHE A 39 -4.488 -13.454 -7.256 1.00 0.00 N ATOM 514 CA PHE A 39 -3.176 -12.841 -7.425 1.00 0.00 C ATOM 515 C PHE A 39 -2.359 -12.923 -6.142 1.00 0.00 C ATOM 516 O PHE A 39 -2.905 -12.837 -5.042 1.00 0.00 O ATOM 517 CB PHE A 39 -3.321 -11.379 -7.851 1.00 0.00 C ATOM 518 CG PHE A 39 -3.957 -11.201 -9.200 1.00 0.00 C ATOM 519 CD1 PHE A 39 -5.333 -11.075 -9.323 1.00 0.00 C ATOM 520 CD2 PHE A 39 -3.182 -11.159 -10.349 1.00 0.00 C ATOM 521 CE1 PHE A 39 -5.920 -10.912 -10.564 1.00 0.00 C ATOM 522 CE2 PHE A 39 -3.765 -10.995 -11.591 1.00 0.00 C ATOM 523 CZ PHE A 39 -5.136 -10.871 -11.697 1.00 0.00 C ATOM 0 H PHE A 39 -5.133 -12.915 -6.679 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.651 -13.393 -8.204 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.916 -10.851 -7.106 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.335 -10.913 -7.860 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.953 -11.105 -8.439 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.109 -11.256 -10.272 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.993 -10.817 -10.646 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.149 -10.964 -12.478 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.594 -10.742 -12.667 1.00 0.00 H new ATOM 533 N THR A 40 -1.049 -13.088 -6.290 1.00 0.00 N ATOM 534 CA THR A 40 -0.146 -13.113 -5.146 1.00 0.00 C ATOM 535 C THR A 40 1.025 -12.160 -5.348 1.00 0.00 C ATOM 536 O THR A 40 1.754 -12.257 -6.335 1.00 0.00 O ATOM 537 CB THR A 40 0.383 -14.535 -4.888 1.00 0.00 C ATOM 538 OG1 THR A 40 -0.717 -15.421 -4.645 1.00 0.00 O ATOM 539 CG2 THR A 40 1.314 -14.548 -3.685 1.00 0.00 C ATOM 0 H THR A 40 -0.589 -13.207 -7.192 1.00 0.00 H new ATOM 0 HA THR A 40 -0.717 -12.787 -4.277 1.00 0.00 H new ATOM 0 HB THR A 40 0.937 -14.865 -5.767 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.378 -16.326 -4.483 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.678 -15.562 -3.518 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.159 -13.885 -3.872 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.773 -14.207 -2.802 1.00 0.00 H new ATOM 547 N ILE A 41 1.200 -11.238 -4.407 1.00 0.00 N ATOM 548 CA ILE A 41 2.214 -10.198 -4.532 1.00 0.00 C ATOM 549 C ILE A 41 3.006 -10.042 -3.241 1.00 0.00 C ATOM 550 O ILE A 41 2.432 -9.933 -2.158 1.00 0.00 O ATOM 551 CB ILE A 41 1.573 -8.849 -4.908 1.00 0.00 C ATOM 552 CG1 ILE A 41 0.855 -8.956 -6.256 1.00 0.00 C ATOM 553 CG2 ILE A 41 2.627 -7.753 -4.949 1.00 0.00 C ATOM 554 CD1 ILE A 41 0.134 -7.693 -6.665 1.00 0.00 C ATOM 0 H ILE A 41 0.652 -11.190 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 41 2.895 -10.503 -5.326 1.00 0.00 H new ATOM 0 HB ILE A 41 0.838 -8.590 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.583 -9.213 -7.025 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.137 -9.775 -6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.157 -6.806 -5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.095 -7.662 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.385 -8.004 -5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.350 -7.846 -7.630 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.619 -7.445 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.850 -6.875 -6.744 1.00 0.00 H new ATOM 566 N ALA A 42 4.330 -10.032 -3.362 1.00 0.00 N ATOM 567 CA ALA A 42 5.204 -9.897 -2.203 1.00 0.00 C ATOM 568 C ALA A 42 5.754 -8.481 -2.090 1.00 0.00 C ATOM 569 O ALA A 42 5.926 -7.789 -3.094 1.00 0.00 O ATOM 570 CB ALA A 42 6.344 -10.902 -2.280 1.00 0.00 C ATOM 0 H ALA A 42 4.821 -10.116 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 42 4.613 -10.101 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.988 -10.789 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.937 -11.913 -2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.925 -10.725 -3.185 1.00 0.00 H new ATOM 576 N CYS A 43 6.027 -8.055 -0.862 1.00 0.00 N ATOM 577 CA CYS A 43 6.556 -6.719 -0.614 1.00 0.00 C ATOM 578 C CYS A 43 7.778 -6.769 0.293 1.00 0.00 C ATOM 579 O CYS A 43 7.727 -7.328 1.389 1.00 0.00 O ATOM 580 CB CYS A 43 5.490 -5.828 0.024 1.00 0.00 C ATOM 581 SG CYS A 43 6.034 -4.132 0.336 1.00 0.00 S ATOM 0 H CYS A 43 5.890 -8.616 -0.021 1.00 0.00 H new ATOM 0 HA CYS A 43 6.850 -6.301 -1.577 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.616 -5.804 -0.626 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.174 -6.276 0.966 1.00 0.00 H new ATOM 0 HG CYS A 43 5.281 -3.306 -0.327 1.00 0.00 H new ATOM 587 N SER A 44 8.877 -6.182 -0.169 1.00 0.00 N ATOM 588 CA SER A 44 10.133 -6.216 0.570 1.00 0.00 C ATOM 589 C SER A 44 10.543 -4.821 1.024 1.00 0.00 C ATOM 590 O SER A 44 10.519 -3.871 0.242 1.00 0.00 O ATOM 591 CB SER A 44 11.227 -6.821 -0.288 1.00 0.00 C ATOM 592 OG SER A 44 12.465 -6.770 0.368 1.00 0.00 O ATOM 0 H SER A 44 8.923 -5.676 -1.054 1.00 0.00 H new ATOM 0 HA SER A 44 9.985 -6.834 1.456 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.979 -7.856 -0.524 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.290 -6.284 -1.235 1.00 0.00 H new ATOM 0 HG SER A 44 12.335 -6.931 1.326 1.00 0.00 H new ATOM 598 N ILE A 45 10.920 -4.704 2.293 1.00 0.00 N ATOM 599 CA ILE A 45 11.478 -3.463 2.815 1.00 0.00 C ATOM 600 C ILE A 45 12.709 -3.729 3.672 1.00 0.00 C ATOM 601 O ILE A 45 12.652 -4.489 4.638 1.00 0.00 O ATOM 602 CB ILE A 45 10.431 -2.696 3.644 1.00 0.00 C ATOM 603 CG1 ILE A 45 9.218 -2.345 2.779 1.00 0.00 C ATOM 604 CG2 ILE A 45 11.043 -1.440 4.244 1.00 0.00 C ATOM 605 CD1 ILE A 45 8.066 -1.749 3.555 1.00 0.00 C ATOM 0 H ILE A 45 10.849 -5.455 2.979 1.00 0.00 H new ATOM 0 HA ILE A 45 11.771 -2.855 1.959 1.00 0.00 H new ATOM 0 HB ILE A 45 10.097 -3.337 4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.526 -1.641 2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.874 -3.245 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.289 -0.910 4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.875 -1.715 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.404 -0.793 3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.245 -1.527 2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.729 -2.460 4.310 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.392 -0.830 4.042 1.00 0.00 H new ATOM 617 N LEU A 46 13.822 -3.098 3.312 1.00 0.00 N ATOM 618 CA LEU A 46 15.077 -3.290 4.029 1.00 0.00 C ATOM 619 C LEU A 46 15.493 -4.755 4.028 1.00 0.00 C ATOM 620 O LEU A 46 15.837 -5.313 2.986 1.00 0.00 O ATOM 621 CB LEU A 46 14.945 -2.790 5.472 1.00 0.00 C ATOM 622 CG LEU A 46 14.686 -1.286 5.635 1.00 0.00 C ATOM 623 CD1 LEU A 46 14.403 -0.974 7.098 1.00 0.00 C ATOM 624 CD2 LEU A 46 15.892 -0.506 5.132 1.00 0.00 C ATOM 0 H LEU A 46 13.880 -2.449 2.527 1.00 0.00 H new ATOM 0 HA LEU A 46 15.847 -2.714 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.132 -3.334 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.859 -3.043 6.010 1.00 0.00 H new ATOM 0 HG LEU A 46 13.817 -0.992 5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.219 0.094 7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.525 -1.531 7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.262 -1.262 7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 46 15.708 0.562 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 46 16.773 -0.787 5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.059 -0.734 4.079 1.00 0.00 H new ATOM 636 N ASN A 47 15.460 -5.375 5.203 1.00 0.00 N ATOM 637 CA ASN A 47 15.851 -6.772 5.344 1.00 0.00 C ATOM 638 C ASN A 47 14.640 -7.660 5.599 1.00 0.00 C ATOM 639 O ASN A 47 14.778 -8.804 6.033 1.00 0.00 O ATOM 640 CB ASN A 47 16.873 -6.931 6.455 1.00 0.00 C ATOM 641 CG ASN A 47 18.180 -6.257 6.138 1.00 0.00 C ATOM 642 OD1 ASN A 47 18.888 -6.656 5.207 1.00 0.00 O ATOM 643 ND2 ASN A 47 18.513 -5.244 6.896 1.00 0.00 N ATOM 0 H ASN A 47 15.166 -4.931 6.073 1.00 0.00 H new ATOM 0 HA ASN A 47 16.307 -7.088 4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.469 -6.516 7.378 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.049 -7.992 6.633 1.00 0.00 H new ATOM 0 HD21 ASN A 47 19.389 -4.749 6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.897 -4.950 7.654 1.00 0.00 H new ATOM 650 N TYR A 48 13.454 -7.127 5.327 1.00 0.00 N ATOM 651 CA TYR A 48 12.212 -7.838 5.606 1.00 0.00 C ATOM 652 C TYR A 48 11.388 -8.026 4.339 1.00 0.00 C ATOM 653 O TYR A 48 11.547 -7.286 3.368 1.00 0.00 O ATOM 654 CB TYR A 48 11.395 -7.094 6.665 1.00 0.00 C ATOM 655 CG TYR A 48 12.136 -6.876 7.966 1.00 0.00 C ATOM 656 CD1 TYR A 48 12.855 -5.707 8.167 1.00 0.00 C ATOM 657 CD2 TYR A 48 12.096 -7.844 8.957 1.00 0.00 C ATOM 658 CE1 TYR A 48 13.531 -5.508 9.355 1.00 0.00 C ATOM 659 CE2 TYR A 48 12.772 -7.645 10.145 1.00 0.00 C ATOM 660 CZ TYR A 48 13.487 -6.482 10.345 1.00 0.00 C ATOM 661 OH TYR A 48 14.161 -6.284 11.528 1.00 0.00 O ATOM 0 H TYR A 48 13.327 -6.204 4.913 1.00 0.00 H new ATOM 0 HA TYR A 48 12.471 -8.825 5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.092 -6.127 6.264 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.483 -7.655 6.867 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.886 -4.953 7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.536 -8.754 8.800 1.00 0.00 H new ATOM 0 HE1 TYR A 48 14.092 -4.599 9.514 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.741 -8.400 10.917 1.00 0.00 H new ATOM 0 HH TYR A 48 14.028 -7.058 12.114 1.00 0.00 H new ATOM 671 N ARG A 49 10.507 -9.021 4.354 1.00 0.00 N ATOM 672 CA ARG A 49 9.661 -9.312 3.203 1.00 0.00 C ATOM 673 C ARG A 49 8.435 -10.118 3.610 1.00 0.00 C ATOM 674 O ARG A 49 8.548 -11.133 4.298 1.00 0.00 O ATOM 675 CB ARG A 49 10.441 -10.080 2.146 1.00 0.00 C ATOM 676 CG ARG A 49 9.725 -10.243 0.815 1.00 0.00 C ATOM 677 CD ARG A 49 10.607 -10.856 -0.212 1.00 0.00 C ATOM 678 NE ARG A 49 9.866 -11.242 -1.402 1.00 0.00 N ATOM 679 CZ ARG A 49 10.407 -11.380 -2.628 1.00 0.00 C ATOM 680 NH1 ARG A 49 11.690 -11.161 -2.809 1.00 0.00 N1+ ATOM 681 NH2 ARG A 49 9.647 -11.736 -3.649 1.00 0.00 N ATOM 0 H ARG A 49 10.361 -9.640 5.152 1.00 0.00 H new ATOM 0 HA ARG A 49 9.332 -8.359 2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.388 -9.570 1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.679 -11.069 2.538 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.840 -10.864 0.952 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.381 -9.270 0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.391 -10.150 -0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.100 -11.732 0.209 1.00 0.00 H new ATOM 0 HE ARG A 49 8.867 -11.421 -1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.277 -10.886 -2.021 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.099 -11.266 -3.737 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.651 -11.906 -3.509 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.056 -11.841 -4.577 1.00 0.00 H new ATOM 695 N GLU A 50 7.263 -9.660 3.183 1.00 0.00 N ATOM 696 CA GLU A 50 6.018 -10.367 3.458 1.00 0.00 C ATOM 697 C GLU A 50 5.183 -10.524 2.194 1.00 0.00 C ATOM 698 O GLU A 50 5.228 -9.680 1.299 1.00 0.00 O ATOM 699 CB GLU A 50 5.210 -9.626 4.526 1.00 0.00 C ATOM 700 CG GLU A 50 5.889 -9.547 5.886 1.00 0.00 C ATOM 701 CD GLU A 50 5.839 -10.846 6.641 1.00 0.00 C ATOM 702 OE1 GLU A 50 4.802 -11.465 6.653 1.00 0.00 O ATOM 703 OE2 GLU A 50 6.839 -11.220 7.207 1.00 0.00 O1- ATOM 0 H GLU A 50 7.149 -8.801 2.644 1.00 0.00 H new ATOM 0 HA GLU A 50 6.273 -11.361 3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.009 -8.614 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.246 -10.121 4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.929 -9.251 5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.411 -8.768 6.480 1.00 0.00 H new ATOM 710 N MET A 51 4.420 -11.610 2.126 1.00 0.00 N ATOM 711 CA MET A 51 3.661 -11.940 0.926 1.00 0.00 C ATOM 712 C MET A 51 2.162 -11.872 1.187 1.00 0.00 C ATOM 713 O MET A 51 1.663 -12.449 2.153 1.00 0.00 O ATOM 714 CB MET A 51 4.051 -13.326 0.418 1.00 0.00 C ATOM 715 CG MET A 51 3.357 -13.744 -0.870 1.00 0.00 C ATOM 716 SD MET A 51 3.899 -15.360 -1.460 1.00 0.00 S ATOM 717 CE MET A 51 5.517 -14.956 -2.112 1.00 0.00 C ATOM 0 H MET A 51 4.311 -12.277 2.890 1.00 0.00 H new ATOM 0 HA MET A 51 3.902 -11.203 0.160 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.129 -13.351 0.260 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.825 -14.060 1.192 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.279 -13.764 -0.707 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.549 -12.997 -1.640 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.915 -15.813 -2.655 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.435 -14.105 -2.788 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.188 -14.704 -1.291 1.00 0.00 H new ATOM 727 N GLY A 52 1.447 -11.163 0.319 1.00 0.00 N ATOM 728 CA GLY A 52 -0.006 -11.081 0.410 1.00 0.00 C ATOM 729 C GLY A 52 -0.667 -11.595 -0.863 1.00 0.00 C ATOM 730 O GLY A 52 -0.002 -11.807 -1.877 1.00 0.00 O ATOM 0 H GLY A 52 1.851 -10.637 -0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.353 -11.663 1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.304 -10.048 0.586 1.00 0.00 H new ATOM 734 N LYS A 53 -1.979 -11.794 -0.803 1.00 0.00 N ATOM 735 CA LYS A 53 -2.723 -12.343 -1.931 1.00 0.00 C ATOM 736 C LYS A 53 -4.208 -12.025 -1.818 1.00 0.00 C ATOM 737 O LYS A 53 -4.689 -11.627 -0.757 1.00 0.00 O ATOM 738 CB LYS A 53 -2.514 -13.855 -2.025 1.00 0.00 C ATOM 739 CG LYS A 53 -3.067 -14.641 -0.843 1.00 0.00 C ATOM 740 CD LYS A 53 -2.828 -16.134 -1.013 1.00 0.00 C ATOM 741 CE LYS A 53 -3.366 -16.919 0.175 1.00 0.00 C ATOM 742 NZ LYS A 53 -3.166 -18.385 0.009 1.00 0.00 N1+ ATOM 0 H LYS A 53 -2.550 -11.583 0.016 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.343 -11.876 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.984 -14.218 -2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.447 -14.057 -2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.596 -14.297 0.078 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.136 -14.450 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.309 -16.480 -1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.760 -16.323 -1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.868 -16.586 1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.429 -16.709 0.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.546 -18.883 0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.662 -18.708 -0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.150 -18.589 -0.082 1.00 0.00 H new ATOM 756 N GLY A 54 -4.932 -12.204 -2.918 1.00 0.00 N ATOM 757 CA GLY A 54 -6.371 -11.969 -2.935 1.00 0.00 C ATOM 758 C GLY A 54 -6.938 -12.127 -4.340 1.00 0.00 C ATOM 759 O GLY A 54 -6.317 -12.746 -5.205 1.00 0.00 O ATOM 0 H GLY A 54 -4.545 -12.511 -3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.864 -12.668 -2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.583 -10.966 -2.565 1.00 0.00 H new ATOM 763 N LYS A 55 -8.120 -11.563 -4.562 1.00 0.00 N ATOM 764 CA LYS A 55 -8.808 -11.704 -5.840 1.00 0.00 C ATOM 765 C LYS A 55 -8.374 -10.622 -6.821 1.00 0.00 C ATOM 766 O LYS A 55 -8.823 -10.593 -7.967 1.00 0.00 O ATOM 767 CB LYS A 55 -10.324 -11.655 -5.641 1.00 0.00 C ATOM 768 CG LYS A 55 -10.889 -12.817 -4.835 1.00 0.00 C ATOM 769 CD LYS A 55 -12.398 -12.699 -4.679 1.00 0.00 C ATOM 770 CE LYS A 55 -12.958 -13.831 -3.831 1.00 0.00 C ATOM 771 NZ LYS A 55 -14.437 -13.741 -3.690 1.00 0.00 N1+ ATOM 0 H LYS A 55 -8.622 -11.003 -3.873 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.537 -12.673 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.583 -10.722 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.806 -11.638 -6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.645 -13.758 -5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.420 -12.842 -3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.644 -11.742 -4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.869 -12.711 -5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.694 -14.787 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.497 -13.807 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.779 -14.530 -3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.688 -12.840 -3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.879 -13.790 -4.630 1.00 0.00 H new ATOM 785 N SER A 56 -7.498 -9.734 -6.365 1.00 0.00 N ATOM 786 CA SER A 56 -6.942 -8.695 -7.224 1.00 0.00 C ATOM 787 C SER A 56 -5.519 -8.342 -6.811 1.00 0.00 C ATOM 788 O SER A 56 -5.098 -8.628 -5.691 1.00 0.00 O ATOM 789 CB SER A 56 -7.815 -7.455 -7.174 1.00 0.00 C ATOM 790 OG SER A 56 -7.724 -6.827 -5.925 1.00 0.00 O ATOM 0 H SER A 56 -7.157 -9.713 -5.404 1.00 0.00 H new ATOM 0 HA SER A 56 -6.916 -9.079 -8.244 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.511 -6.760 -7.957 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.851 -7.727 -7.374 1.00 0.00 H new ATOM 0 HG SER A 56 -8.294 -6.030 -5.917 1.00 0.00 H new ATOM 796 N LYS A 57 -4.782 -7.717 -7.723 1.00 0.00 N ATOM 797 CA LYS A 57 -3.439 -7.235 -7.424 1.00 0.00 C ATOM 798 C LYS A 57 -3.464 -6.191 -6.314 1.00 0.00 C ATOM 799 O LYS A 57 -2.552 -6.126 -5.490 1.00 0.00 O ATOM 800 CB LYS A 57 -2.787 -6.653 -8.679 1.00 0.00 C ATOM 801 CG LYS A 57 -2.444 -7.684 -9.745 1.00 0.00 C ATOM 802 CD LYS A 57 -1.804 -7.030 -10.961 1.00 0.00 C ATOM 803 CE LYS A 57 -1.526 -8.049 -12.057 1.00 0.00 C ATOM 804 NZ LYS A 57 -0.936 -7.417 -13.268 1.00 0.00 N1+ ATOM 0 H LYS A 57 -5.093 -7.532 -8.677 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.848 -8.084 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.458 -5.911 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.876 -6.129 -8.391 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.764 -8.428 -9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.348 -8.212 -10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.462 -6.250 -11.345 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.873 -6.545 -10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.846 -8.812 -11.679 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.454 -8.554 -12.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.762 -8.145 -13.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.595 -6.706 -13.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.038 -6.957 -13.017 1.00 0.00 H new ATOM 818 N LYS A 58 -4.513 -5.376 -6.299 1.00 0.00 N ATOM 819 CA LYS A 58 -4.695 -4.381 -5.249 1.00 0.00 C ATOM 820 C LYS A 58 -4.794 -5.038 -3.879 1.00 0.00 C ATOM 821 O LYS A 58 -4.091 -4.655 -2.944 1.00 0.00 O ATOM 822 CB LYS A 58 -5.942 -3.538 -5.520 1.00 0.00 C ATOM 823 CG LYS A 58 -6.204 -2.451 -4.486 1.00 0.00 C ATOM 824 CD LYS A 58 -7.423 -1.619 -4.855 1.00 0.00 C ATOM 825 CE LYS A 58 -7.716 -0.565 -3.797 1.00 0.00 C ATOM 826 NZ LYS A 58 -8.918 0.244 -4.136 1.00 0.00 N1+ ATOM 0 H LYS A 58 -5.251 -5.385 -7.003 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.821 -3.730 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.845 -3.073 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.809 -4.197 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.355 -2.906 -3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.330 -1.804 -4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.257 -1.135 -5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.289 -2.271 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.866 -1.051 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.854 0.093 -3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.083 0.950 -3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.766 0.728 -5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.747 -0.380 -4.211 1.00 0.00 H new ATOM 840 N ILE A 59 -5.672 -6.029 -3.765 1.00 0.00 N ATOM 841 CA ILE A 59 -5.871 -6.736 -2.506 1.00 0.00 C ATOM 842 C ILE A 59 -4.585 -7.408 -2.042 1.00 0.00 C ATOM 843 O ILE A 59 -4.244 -7.369 -0.860 1.00 0.00 O ATOM 844 CB ILE A 59 -6.984 -7.791 -2.638 1.00 0.00 C ATOM 845 CG1 ILE A 59 -8.339 -7.113 -2.857 1.00 0.00 C ATOM 846 CG2 ILE A 59 -7.023 -8.680 -1.405 1.00 0.00 C ATOM 847 CD1 ILE A 59 -9.435 -8.064 -3.283 1.00 0.00 C ATOM 0 H ILE A 59 -6.258 -6.361 -4.531 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.168 -5.996 -1.762 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.768 -8.416 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.640 -6.616 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.229 -6.338 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.816 -9.420 -1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.065 -9.188 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.216 -8.070 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -10.364 -7.511 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.157 -8.542 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.575 -8.825 -2.516 1.00 0.00 H new ATOM 859 N ALA A 60 -3.874 -8.024 -2.980 1.00 0.00 N ATOM 860 CA ALA A 60 -2.603 -8.670 -2.678 1.00 0.00 C ATOM 861 C ALA A 60 -1.602 -7.674 -2.104 1.00 0.00 C ATOM 862 O ALA A 60 -0.951 -7.946 -1.095 1.00 0.00 O ATOM 863 CB ALA A 60 -2.034 -9.331 -3.925 1.00 0.00 C ATOM 0 H ALA A 60 -4.157 -8.089 -3.958 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.786 -9.437 -1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.085 -9.809 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.735 -10.081 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.874 -8.577 -4.696 1.00 0.00 H new ATOM 869 N LYS A 61 -1.485 -6.521 -2.752 1.00 0.00 N ATOM 870 CA LYS A 61 -0.580 -5.473 -2.295 1.00 0.00 C ATOM 871 C LYS A 61 -1.009 -4.926 -0.940 1.00 0.00 C ATOM 872 O LYS A 61 -0.173 -4.609 -0.095 1.00 0.00 O ATOM 873 CB LYS A 61 -0.509 -4.341 -3.321 1.00 0.00 C ATOM 874 CG LYS A 61 0.270 -4.684 -4.584 1.00 0.00 C ATOM 875 CD LYS A 61 0.335 -3.497 -5.533 1.00 0.00 C ATOM 876 CE LYS A 61 1.119 -3.836 -6.793 1.00 0.00 C ATOM 877 NZ LYS A 61 1.161 -2.695 -7.746 1.00 0.00 N1+ ATOM 0 H LYS A 61 -2.006 -6.288 -3.597 1.00 0.00 H new ATOM 0 HA LYS A 61 0.411 -5.914 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.523 -4.056 -3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.051 -3.470 -2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.280 -4.995 -4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.201 -5.529 -5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.675 -3.189 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.802 -2.651 -5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.136 -4.120 -6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.666 -4.699 -7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.704 -2.967 -8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.192 -2.440 -8.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.616 -1.879 -7.290 1.00 0.00 H new ATOM 891 N ARG A 62 -2.318 -4.818 -0.740 1.00 0.00 N ATOM 892 CA ARG A 62 -2.861 -4.289 0.506 1.00 0.00 C ATOM 893 C ARG A 62 -2.491 -5.175 1.688 1.00 0.00 C ATOM 894 O ARG A 62 -2.038 -4.687 2.724 1.00 0.00 O ATOM 895 CB ARG A 62 -4.376 -4.169 0.421 1.00 0.00 C ATOM 896 CG ARG A 62 -4.879 -2.993 -0.402 1.00 0.00 C ATOM 897 CD ARG A 62 -6.346 -3.065 -0.622 1.00 0.00 C ATOM 898 NE ARG A 62 -7.089 -2.915 0.618 1.00 0.00 N ATOM 899 CZ ARG A 62 -8.404 -3.172 0.759 1.00 0.00 C ATOM 900 NH1 ARG A 62 -9.106 -3.590 -0.272 1.00 0.00 N1+ ATOM 901 NH2 ARG A 62 -8.989 -3.004 1.932 1.00 0.00 N ATOM 0 H ARG A 62 -3.023 -5.090 -1.425 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.427 -3.301 0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.776 -5.089 -0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.777 -4.085 1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.632 -2.061 0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.367 -2.976 -1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.647 -2.285 -1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.597 -4.021 -1.082 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.579 -2.592 1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.655 -3.719 -1.178 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.102 -3.785 -0.166 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.445 -2.680 2.731 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.985 -3.199 2.038 1.00 0.00 H new ATOM 915 N LEU A 63 -2.686 -6.480 1.528 1.00 0.00 N ATOM 916 CA LEU A 63 -2.361 -7.438 2.577 1.00 0.00 C ATOM 917 C LEU A 63 -0.860 -7.492 2.828 1.00 0.00 C ATOM 918 O LEU A 63 -0.413 -7.513 3.975 1.00 0.00 O ATOM 919 CB LEU A 63 -2.874 -8.833 2.199 1.00 0.00 C ATOM 920 CG LEU A 63 -2.656 -9.930 3.249 1.00 0.00 C ATOM 921 CD1 LEU A 63 -3.358 -9.540 4.543 1.00 0.00 C ATOM 922 CD2 LEU A 63 -3.184 -11.254 2.718 1.00 0.00 C ATOM 0 H LEU A 63 -3.068 -6.898 0.680 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.851 -7.109 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.941 -8.763 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.387 -9.140 1.273 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.592 -10.043 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.204 -10.319 5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.948 -8.599 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.426 -9.422 4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.029 -12.033 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.249 -11.162 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.653 -11.517 1.803 1.00 0.00 H new ATOM 934 N ALA A 64 -0.085 -7.515 1.749 1.00 0.00 N ATOM 935 CA ALA A 64 1.369 -7.496 1.849 1.00 0.00 C ATOM 936 C ALA A 64 1.855 -6.256 2.589 1.00 0.00 C ATOM 937 O ALA A 64 2.741 -6.336 3.440 1.00 0.00 O ATOM 938 CB ALA A 64 1.997 -7.566 0.465 1.00 0.00 C ATOM 0 H ALA A 64 -0.441 -7.547 0.794 1.00 0.00 H new ATOM 0 HA ALA A 64 1.677 -8.372 2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.083 -7.551 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.688 -8.487 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.671 -6.710 -0.126 1.00 0.00 H new ATOM 944 N ALA A 65 1.269 -5.110 2.259 1.00 0.00 N ATOM 945 CA ALA A 65 1.642 -3.850 2.892 1.00 0.00 C ATOM 946 C ALA A 65 1.329 -3.869 4.383 1.00 0.00 C ATOM 947 O ALA A 65 2.148 -3.455 5.203 1.00 0.00 O ATOM 948 CB ALA A 65 0.929 -2.687 2.217 1.00 0.00 C ATOM 0 H ALA A 65 0.534 -5.028 1.557 1.00 0.00 H new ATOM 0 HA ALA A 65 2.718 -3.720 2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.217 -1.754 2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.207 -2.651 1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.149 -2.822 2.303 1.00 0.00 H new ATOM 954 N HIS A 66 0.140 -4.352 4.727 1.00 0.00 N ATOM 955 CA HIS A 66 -0.253 -4.495 6.123 1.00 0.00 C ATOM 956 C HIS A 66 0.721 -5.386 6.882 1.00 0.00 C ATOM 957 O HIS A 66 1.156 -5.051 7.983 1.00 0.00 O ATOM 958 CB HIS A 66 -1.670 -5.069 6.230 1.00 0.00 C ATOM 959 CG HIS A 66 -2.108 -5.331 7.638 1.00 0.00 C ATOM 960 ND1 HIS A 66 -2.447 -4.319 8.512 1.00 0.00 N ATOM 961 CD2 HIS A 66 -2.261 -6.488 8.323 1.00 0.00 C ATOM 962 CE1 HIS A 66 -2.792 -4.844 9.675 1.00 0.00 C ATOM 963 NE2 HIS A 66 -2.687 -6.158 9.586 1.00 0.00 N ATOM 0 H HIS A 66 -0.569 -4.651 4.057 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.235 -3.502 6.572 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.370 -4.375 5.764 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.719 -5.999 5.664 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.082 -7.484 7.947 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.106 -4.293 10.549 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.890 -6.820 10.335 1.00 0.00 H new ATOM 970 N ARG A 67 1.060 -6.525 6.286 1.00 0.00 N ATOM 971 CA ARG A 67 2.002 -7.456 6.894 1.00 0.00 C ATOM 972 C ARG A 67 3.359 -6.801 7.118 1.00 0.00 C ATOM 973 O ARG A 67 3.962 -6.946 8.181 1.00 0.00 O ATOM 974 CB ARG A 67 2.176 -8.689 6.019 1.00 0.00 C ATOM 975 CG ARG A 67 1.009 -9.663 6.047 1.00 0.00 C ATOM 976 CD ARG A 67 0.922 -10.379 7.346 1.00 0.00 C ATOM 977 NE ARG A 67 2.148 -11.098 7.652 1.00 0.00 N ATOM 978 CZ ARG A 67 2.348 -11.828 8.767 1.00 0.00 C ATOM 979 NH1 ARG A 67 1.397 -11.925 9.669 1.00 0.00 N1+ ATOM 980 NH2 ARG A 67 3.501 -12.446 8.953 1.00 0.00 N ATOM 0 H ARG A 67 0.696 -6.825 5.382 1.00 0.00 H new ATOM 0 HA ARG A 67 1.592 -7.752 7.860 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.337 -8.367 4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.077 -9.215 6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.080 -9.123 5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.119 -10.387 5.239 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.712 -9.664 8.141 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.087 -11.080 7.319 1.00 0.00 H new ATOM 0 HE ARG A 67 2.910 -11.046 6.976 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.507 -11.448 9.525 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.549 -12.478 10.513 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.239 -12.370 8.253 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.653 -12.999 9.797 1.00 0.00 H new ATOM 994 N MET A 68 3.835 -6.079 6.109 1.00 0.00 N ATOM 995 CA MET A 68 5.128 -5.409 6.189 1.00 0.00 C ATOM 996 C MET A 68 5.130 -4.346 7.281 1.00 0.00 C ATOM 997 O MET A 68 6.106 -4.201 8.017 1.00 0.00 O ATOM 998 CB MET A 68 5.485 -4.788 4.840 1.00 0.00 C ATOM 999 CG MET A 68 5.932 -5.790 3.785 1.00 0.00 C ATOM 1000 SD MET A 68 7.335 -6.788 4.324 1.00 0.00 S ATOM 1001 CE MET A 68 8.554 -5.515 4.641 1.00 0.00 C ATOM 0 H MET A 68 3.344 -5.943 5.225 1.00 0.00 H new ATOM 0 HA MET A 68 5.881 -6.154 6.445 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.619 -4.244 4.463 1.00 0.00 H new ATOM 0 HB3 MET A 68 6.280 -4.057 4.989 1.00 0.00 H new ATOM 0 HG2 MET A 68 5.098 -6.447 3.537 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.200 -5.256 2.873 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.554 -5.941 4.563 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.443 -4.715 3.909 1.00 0.00 H new ATOM 0 HE3 MET A 68 8.408 -5.113 5.644 1.00 0.00 H new ATOM 1011 N TRP A 69 4.033 -3.604 7.380 1.00 0.00 N ATOM 1012 CA TRP A 69 3.871 -2.611 8.435 1.00 0.00 C ATOM 1013 C TRP A 69 4.061 -3.236 9.812 1.00 0.00 C ATOM 1014 O TRP A 69 4.857 -2.755 10.618 1.00 0.00 O ATOM 1015 CB TRP A 69 2.488 -1.963 8.351 1.00 0.00 C ATOM 1016 CG TRP A 69 2.175 -1.069 9.512 1.00 0.00 C ATOM 1017 CD1 TRP A 69 1.306 -1.328 10.530 1.00 0.00 C ATOM 1018 CD2 TRP A 69 2.730 0.241 9.783 1.00 0.00 C ATOM 1019 NE1 TRP A 69 1.281 -0.275 11.410 1.00 0.00 N ATOM 1020 CE2 TRP A 69 2.147 0.693 10.970 1.00 0.00 C ATOM 1021 CE3 TRP A 69 3.662 1.052 9.124 1.00 0.00 C ATOM 1022 CZ2 TRP A 69 2.462 1.927 11.518 1.00 0.00 C ATOM 1023 CZ3 TRP A 69 3.978 2.289 9.674 1.00 0.00 C ATOM 1024 CH2 TRP A 69 3.393 2.714 10.841 1.00 0.00 C ATOM 0 H TRP A 69 3.241 -3.672 6.741 1.00 0.00 H new ATOM 0 HA TRP A 69 4.636 -1.847 8.292 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.422 -1.385 7.429 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.732 -2.746 8.291 1.00 0.00 H new ATOM 0 HD1 TRP A 69 0.722 -2.231 10.630 1.00 0.00 H new ATOM 0 HE1 TRP A 69 0.711 -0.221 12.254 1.00 0.00 H new ATOM 0 HE3 TRP A 69 4.126 0.723 8.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.003 2.266 12.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.694 2.925 9.176 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.660 3.680 11.244 1.00 0.00 H new ATOM 1035 N MET A 70 3.324 -4.309 10.075 1.00 0.00 N ATOM 1036 CA MET A 70 3.435 -5.023 11.342 1.00 0.00 C ATOM 1037 C MET A 70 4.847 -5.553 11.554 1.00 0.00 C ATOM 1038 O MET A 70 5.424 -5.398 12.630 1.00 0.00 O ATOM 1039 CB MET A 70 2.423 -6.166 11.394 1.00 0.00 C ATOM 1040 CG MET A 70 0.971 -5.719 11.486 1.00 0.00 C ATOM 1041 SD MET A 70 -0.185 -7.103 11.474 1.00 0.00 S ATOM 1042 CE MET A 70 0.160 -7.846 13.065 1.00 0.00 C ATOM 0 H MET A 70 2.642 -4.704 9.427 1.00 0.00 H new ATOM 0 HA MET A 70 3.217 -4.321 12.147 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.544 -6.783 10.504 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.651 -6.797 12.253 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.830 -5.141 12.399 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.746 -5.055 10.651 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.631 -8.553 13.316 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.115 -8.370 13.022 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.207 -7.068 13.827 1.00 0.00 H new ATOM 1052 N ARG A 71 5.400 -6.178 10.520 1.00 0.00 N ATOM 1053 CA ARG A 71 6.741 -6.745 10.596 1.00 0.00 C ATOM 1054 C ARG A 71 7.758 -5.698 11.030 1.00 0.00 C ATOM 1055 O ARG A 71 8.582 -5.946 11.910 1.00 0.00 O ATOM 1056 CB ARG A 71 7.155 -7.322 9.250 1.00 0.00 C ATOM 1057 CG ARG A 71 8.568 -7.881 9.202 1.00 0.00 C ATOM 1058 CD ARG A 71 8.725 -9.056 10.097 1.00 0.00 C ATOM 1059 NE ARG A 71 7.987 -10.211 9.611 1.00 0.00 N ATOM 1060 CZ ARG A 71 7.677 -11.290 10.356 1.00 0.00 C ATOM 1061 NH1 ARG A 71 8.047 -11.347 11.616 1.00 0.00 N1+ ATOM 1062 NH2 ARG A 71 7.000 -12.291 9.820 1.00 0.00 N ATOM 0 H ARG A 71 4.940 -6.305 9.619 1.00 0.00 H new ATOM 0 HA ARG A 71 6.718 -7.541 11.340 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.457 -8.114 8.980 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.062 -6.543 8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.811 -8.168 8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.276 -7.105 9.492 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.782 -9.310 10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.378 -8.799 11.098 1.00 0.00 H new ATOM 0 HE ARG A 71 7.683 -10.204 8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.569 -10.574 12.030 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.812 -12.164 12.180 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.712 -12.247 8.842 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.765 -13.108 10.384 1.00 0.00 H new ATOM 1076 N LEU A 72 7.696 -4.525 10.408 1.00 0.00 N ATOM 1077 CA LEU A 72 8.657 -3.463 10.677 1.00 0.00 C ATOM 1078 C LEU A 72 8.471 -2.894 12.078 1.00 0.00 C ATOM 1079 O LEU A 72 9.443 -2.600 12.773 1.00 0.00 O ATOM 1080 CB LEU A 72 8.512 -2.342 9.640 1.00 0.00 C ATOM 1081 CG LEU A 72 8.942 -2.698 8.211 1.00 0.00 C ATOM 1082 CD1 LEU A 72 8.518 -1.587 7.261 1.00 0.00 C ATOM 1083 CD2 LEU A 72 10.448 -2.906 8.171 1.00 0.00 C ATOM 0 H LEU A 72 6.989 -4.286 9.713 1.00 0.00 H new ATOM 0 HA LEU A 72 9.657 -3.892 10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.469 -2.025 9.618 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.098 -1.486 9.973 1.00 0.00 H new ATOM 0 HG LEU A 72 8.459 -3.623 7.896 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.824 -1.840 6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.435 -1.472 7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.992 -0.652 7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.754 -3.159 7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.950 -1.990 8.484 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.721 -3.718 8.845 1.00 0.00 H new ATOM 1095 N GLN A 73 7.216 -2.740 12.487 1.00 0.00 N ATOM 1096 CA GLN A 73 6.900 -2.223 13.813 1.00 0.00 C ATOM 1097 C GLN A 73 7.345 -3.191 14.902 1.00 0.00 C ATOM 1098 O GLN A 73 7.778 -2.775 15.977 1.00 0.00 O ATOM 1099 CB GLN A 73 5.399 -1.949 13.938 1.00 0.00 C ATOM 1100 CG GLN A 73 4.914 -0.759 13.129 1.00 0.00 C ATOM 1101 CD GLN A 73 5.552 0.543 13.574 1.00 0.00 C ATOM 1102 OE1 GLN A 73 5.574 0.864 14.765 1.00 0.00 O ATOM 1103 NE2 GLN A 73 6.076 1.301 12.618 1.00 0.00 N ATOM 0 H GLN A 73 6.400 -2.966 11.918 1.00 0.00 H new ATOM 0 HA GLN A 73 7.444 -1.287 13.943 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.851 -2.837 13.621 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.158 -1.783 14.988 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.134 -0.926 12.075 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.831 -0.679 13.220 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.035 0.996 11.646 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.519 2.188 12.856 1.00 0.00 H new ATOM 1112 N GLU A 74 7.236 -4.484 14.618 1.00 0.00 N ATOM 1113 CA GLU A 74 7.674 -5.514 15.553 1.00 0.00 C ATOM 1114 C GLU A 74 9.195 -5.590 15.615 1.00 0.00 C ATOM 1115 O GLU A 74 9.668 -5.430 16.481 1.00 0.00 O ATOM 1116 CB GLU A 74 7.102 -6.875 15.153 1.00 0.00 C ATOM 1117 CG GLU A 74 5.604 -7.020 15.385 1.00 0.00 C ATOM 1118 CD GLU A 74 5.081 -8.376 15.000 1.00 0.00 C ATOM 1119 OE1 GLU A 74 5.843 -9.164 14.494 1.00 0.00 O ATOM 1120 OE2 GLU A 74 3.918 -8.624 15.213 1.00 0.00 O1- ATOM 1121 OXT GLU A 74 9.824 -5.842 14.625 1.00 0.00 O1- ATOM 0 H GLU A 74 6.847 -4.844 13.746 1.00 0.00 H new ATOM 0 HA GLU A 74 7.303 -5.246 16.542 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.312 -7.048 14.098 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.621 -7.653 15.713 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.385 -6.837 16.437 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.077 -6.257 14.812 1.00 0.00 H new