USER MOD reduce.3.24.130724 H: found=0, std=0, add=326, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 324 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 33 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -161:sc= 1.16 (180deg=0.938) USER MOD Set 2.2: A 43 TYR OH : rot 180:sc= 0.0306 USER MOD Set 3.1: A 2 LYS NZ :NH3+ -170:sc= 1.15 (180deg=0) USER MOD Set 3.2: A 20 HIS : no HD1:sc= 0.966 K(o=2.1,f=-4.8!) USER MOD Single : A 1 ALA N :NH3+ 147:sc= 0.00162 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0.567 K(o=0.57,f=0) USER MOD Single : A 10 ASN : amide:sc= 0.307 K(o=0.31,f=-3.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.11) USER MOD Single : A 26 LYS NZ :NH3+ -136:sc= -0.0799 (180deg=-0.473) USER MOD Single : A 31 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.087) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 27.875 21.146 37.749 1.00 0.00 N ATOM 2 CA ALA A 1 26.471 21.277 37.319 1.00 0.00 C ATOM 3 C ALA A 1 26.133 20.192 36.299 1.00 0.00 C ATOM 4 O ALA A 1 26.871 20.008 35.328 1.00 0.00 O ATOM 5 CB ALA A 1 26.169 22.678 36.780 1.00 0.00 C ATOM 0 H1 ALA A 1 28.265 22.088 37.952 1.00 0.00 H new ATOM 0 H2 ALA A 1 27.922 20.560 38.607 1.00 0.00 H new ATOM 0 H3 ALA A 1 28.429 20.697 36.992 1.00 0.00 H new ATOM 0 HA ALA A 1 25.832 21.139 38.191 1.00 0.00 H new ATOM 0 HB1 ALA A 1 25.124 22.733 36.474 1.00 0.00 H new ATOM 0 HB2 ALA A 1 26.358 23.416 37.559 1.00 0.00 H new ATOM 0 HB3 ALA A 1 26.810 22.884 35.922 1.00 0.00 H new ATOM 13 N LYS A 2 25.023 19.471 36.517 1.00 0.00 N ATOM 14 CA LYS A 2 24.654 18.232 35.805 1.00 0.00 C ATOM 15 C LYS A 2 23.152 18.071 35.581 1.00 0.00 C ATOM 16 O LYS A 2 22.746 17.568 34.538 1.00 0.00 O ATOM 17 CB LYS A 2 25.099 17.015 36.646 1.00 0.00 C ATOM 18 CG LYS A 2 26.604 16.866 36.915 1.00 0.00 C ATOM 19 CD LYS A 2 27.267 15.864 35.971 1.00 0.00 C ATOM 20 CE LYS A 2 27.267 16.308 34.507 1.00 0.00 C ATOM 21 NZ LYS A 2 27.877 15.260 33.658 1.00 0.00 N1+ ATOM 0 H LYS A 2 24.332 19.741 37.217 1.00 0.00 H new ATOM 0 HA LYS A 2 25.145 18.291 34.834 1.00 0.00 H new ATOM 0 HB2 LYS A 2 24.586 17.061 37.607 1.00 0.00 H new ATOM 0 HB3 LYS A 2 24.754 16.111 36.144 1.00 0.00 H new ATOM 0 HG2 LYS A 2 27.088 17.837 36.808 1.00 0.00 H new ATOM 0 HG3 LYS A 2 26.756 16.546 37.946 1.00 0.00 H new ATOM 0 HD2 LYS A 2 28.296 15.701 36.292 1.00 0.00 H new ATOM 0 HD3 LYS A 2 26.752 14.907 36.051 1.00 0.00 H new ATOM 0 HE2 LYS A 2 26.246 16.505 34.179 1.00 0.00 H new ATOM 0 HE3 LYS A 2 27.821 17.241 34.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 28.028 15.634 32.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 28.790 14.972 34.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 27.243 14.437 33.613 1.00 0.00 H new ATOM 35 N ASN A 3 22.321 18.472 36.548 1.00 0.00 N ATOM 36 CA ASN A 3 20.890 18.154 36.539 1.00 0.00 C ATOM 37 C ASN A 3 20.117 18.918 35.449 1.00 0.00 C ATOM 38 O ASN A 3 19.134 18.387 34.943 1.00 0.00 O ATOM 39 CB ASN A 3 20.323 18.287 37.963 1.00 0.00 C ATOM 40 CG ASN A 3 20.882 17.197 38.870 1.00 0.00 C ATOM 41 OD1 ASN A 3 20.348 16.098 38.950 1.00 0.00 O ATOM 42 ND2 ASN A 3 22.000 17.416 39.524 1.00 0.00 N ATOM 0 H ASN A 3 22.619 19.022 37.354 1.00 0.00 H new ATOM 0 HA ASN A 3 20.753 17.113 36.248 1.00 0.00 H new ATOM 0 HB2 ASN A 3 20.572 19.268 38.369 1.00 0.00 H new ATOM 0 HB3 ASN A 3 19.235 18.221 37.934 1.00 0.00 H new ATOM 0 HD21 ASN A 3 22.413 16.675 40.090 1.00 0.00 H new ATOM 0 HD22 ASN A 3 22.455 18.327 39.466 1.00 0.00 H new ATOM 49 N GLN A 4 20.597 20.096 35.029 1.00 0.00 N ATOM 50 CA GLN A 4 20.138 20.792 33.810 1.00 0.00 C ATOM 51 C GLN A 4 21.302 21.408 33.005 1.00 0.00 C ATOM 52 O GLN A 4 21.078 22.125 32.032 1.00 0.00 O ATOM 53 CB GLN A 4 19.039 21.820 34.133 1.00 0.00 C ATOM 54 CG GLN A 4 19.540 23.043 34.918 1.00 0.00 C ATOM 55 CD GLN A 4 18.454 24.093 35.086 1.00 0.00 C ATOM 56 OE1 GLN A 4 17.918 24.307 36.167 1.00 0.00 O ATOM 57 NE2 GLN A 4 18.041 24.761 34.033 1.00 0.00 N ATOM 0 H GLN A 4 21.326 20.603 35.531 1.00 0.00 H new ATOM 0 HA GLN A 4 19.694 20.038 33.160 1.00 0.00 H new ATOM 0 HB2 GLN A 4 18.587 22.159 33.201 1.00 0.00 H new ATOM 0 HB3 GLN A 4 18.254 21.329 34.707 1.00 0.00 H new ATOM 0 HG2 GLN A 4 19.892 22.725 35.899 1.00 0.00 H new ATOM 0 HG3 GLN A 4 20.393 23.482 34.400 1.00 0.00 H new ATOM 0 HE21 GLN A 4 18.474 24.598 33.124 1.00 0.00 H new ATOM 0 HE22 GLN A 4 17.288 25.443 34.125 1.00 0.00 H new ATOM 66 N PHE A 5 22.553 21.167 33.419 1.00 0.00 N ATOM 67 CA PHE A 5 23.788 21.706 32.822 1.00 0.00 C ATOM 68 C PHE A 5 23.866 23.246 32.734 1.00 0.00 C ATOM 69 O PHE A 5 24.738 23.778 32.047 1.00 0.00 O ATOM 70 CB PHE A 5 24.022 21.068 31.448 1.00 0.00 C ATOM 71 CG PHE A 5 23.953 19.556 31.408 1.00 0.00 C ATOM 72 CD1 PHE A 5 25.100 18.791 31.686 1.00 0.00 C ATOM 73 CD2 PHE A 5 22.747 18.915 31.066 1.00 0.00 C ATOM 74 CE1 PHE A 5 25.041 17.390 31.609 1.00 0.00 C ATOM 75 CE2 PHE A 5 22.691 17.513 30.992 1.00 0.00 C ATOM 76 CZ PHE A 5 23.843 16.752 31.251 1.00 0.00 C ATOM 0 H PHE A 5 22.743 20.562 34.218 1.00 0.00 H new ATOM 0 HA PHE A 5 24.587 21.435 33.512 1.00 0.00 H new ATOM 0 HB2 PHE A 5 23.283 21.466 30.752 1.00 0.00 H new ATOM 0 HB3 PHE A 5 25.002 21.379 31.085 1.00 0.00 H new ATOM 0 HD1 PHE A 5 26.024 19.280 31.958 1.00 0.00 H new ATOM 0 HD2 PHE A 5 21.864 19.502 30.860 1.00 0.00 H new ATOM 0 HE1 PHE A 5 25.920 16.802 31.826 1.00 0.00 H new ATOM 0 HE2 PHE A 5 21.764 17.021 30.736 1.00 0.00 H new ATOM 0 HZ PHE A 5 23.807 15.675 31.175 1.00 0.00 H new ATOM 86 N GLY A 6 22.962 23.968 33.405 1.00 0.00 N ATOM 87 CA GLY A 6 22.777 25.414 33.242 1.00 0.00 C ATOM 88 C GLY A 6 21.961 25.841 32.006 1.00 0.00 C ATOM 89 O GLY A 6 21.725 27.033 31.798 1.00 0.00 O ATOM 0 H GLY A 6 22.327 23.556 34.089 1.00 0.00 H new ATOM 0 HA2 GLY A 6 22.285 25.803 34.133 1.00 0.00 H new ATOM 0 HA3 GLY A 6 23.759 25.885 33.189 1.00 0.00 H new ATOM 93 N CYS A 7 21.480 24.895 31.201 1.00 0.00 N ATOM 94 CA CYS A 7 20.669 25.168 30.021 1.00 0.00 C ATOM 95 C CYS A 7 19.184 25.320 30.356 1.00 0.00 C ATOM 96 O CYS A 7 18.634 24.542 31.144 1.00 0.00 O ATOM 97 CB CYS A 7 20.856 24.020 29.025 1.00 0.00 C ATOM 98 SG CYS A 7 22.530 23.871 28.370 1.00 0.00 S ATOM 0 H CYS A 7 21.647 23.901 31.355 1.00 0.00 H new ATOM 0 HA CYS A 7 20.999 26.115 29.594 1.00 0.00 H new ATOM 0 HB2 CYS A 7 20.584 23.084 29.513 1.00 0.00 H new ATOM 0 HB3 CYS A 7 20.164 24.159 28.194 1.00 0.00 H new ATOM 103 N PHE A 8 18.506 26.280 29.719 1.00 0.00 N ATOM 104 CA PHE A 8 17.038 26.336 29.760 1.00 0.00 C ATOM 105 C PHE A 8 16.404 26.977 28.514 1.00 0.00 C ATOM 106 O PHE A 8 16.792 28.068 28.091 1.00 0.00 O ATOM 107 CB PHE A 8 16.550 27.014 31.047 1.00 0.00 C ATOM 108 CG PHE A 8 15.053 26.899 31.230 1.00 0.00 C ATOM 109 CD1 PHE A 8 14.220 27.970 30.866 1.00 0.00 C ATOM 110 CD2 PHE A 8 14.490 25.708 31.729 1.00 0.00 C ATOM 111 CE1 PHE A 8 12.825 27.854 31.010 1.00 0.00 C ATOM 112 CE2 PHE A 8 13.098 25.599 31.890 1.00 0.00 C ATOM 113 CZ PHE A 8 12.265 26.671 31.527 1.00 0.00 C ATOM 0 H PHE A 8 18.943 27.023 29.174 1.00 0.00 H new ATOM 0 HA PHE A 8 16.699 25.300 29.759 1.00 0.00 H new ATOM 0 HB2 PHE A 8 17.053 26.565 31.904 1.00 0.00 H new ATOM 0 HB3 PHE A 8 16.831 28.067 31.028 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.650 28.881 30.476 1.00 0.00 H new ATOM 0 HD2 PHE A 8 15.129 24.877 31.988 1.00 0.00 H new ATOM 0 HE1 PHE A 8 12.183 28.674 30.723 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.669 24.693 32.292 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.195 26.587 31.645 1.00 0.00 H new ATOM 123 N ALA A 9 15.401 26.291 27.950 1.00 0.00 N ATOM 124 CA ALA A 9 14.639 26.683 26.761 1.00 0.00 C ATOM 125 C ALA A 9 15.534 27.209 25.617 1.00 0.00 C ATOM 126 O ALA A 9 15.359 28.330 25.139 1.00 0.00 O ATOM 127 CB ALA A 9 13.485 27.608 27.178 1.00 0.00 C ATOM 0 H ALA A 9 15.084 25.400 28.333 1.00 0.00 H new ATOM 0 HA ALA A 9 14.183 25.800 26.313 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.917 27.901 26.295 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.830 27.082 27.873 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.888 28.498 27.662 1.00 0.00 H new ATOM 133 N ASN A 10 16.518 26.385 25.222 1.00 0.00 N ATOM 134 CA ASN A 10 17.504 26.629 24.155 1.00 0.00 C ATOM 135 C ASN A 10 18.479 27.806 24.384 1.00 0.00 C ATOM 136 O ASN A 10 19.151 28.240 23.445 1.00 0.00 O ATOM 137 CB ASN A 10 16.796 26.652 22.785 1.00 0.00 C ATOM 138 CG ASN A 10 16.444 25.294 22.285 1.00 0.00 C ATOM 139 OD1 ASN A 10 17.294 24.456 22.030 1.00 0.00 O ATOM 140 ND2 ASN A 10 15.192 25.055 22.063 1.00 0.00 N ATOM 0 H ASN A 10 16.655 25.476 25.665 1.00 0.00 H new ATOM 0 HA ASN A 10 18.192 25.784 24.177 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.888 27.251 22.862 1.00 0.00 H new ATOM 0 HB3 ASN A 10 17.442 27.144 22.058 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.906 24.158 21.671 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.491 25.764 22.280 1.00 0.00 H new ATOM 147 N VAL A 11 18.614 28.309 25.617 1.00 0.00 N ATOM 148 CA VAL A 11 19.509 29.433 25.954 1.00 0.00 C ATOM 149 C VAL A 11 20.484 29.055 27.078 1.00 0.00 C ATOM 150 O VAL A 11 20.153 28.292 27.990 1.00 0.00 O ATOM 151 CB VAL A 11 18.694 30.700 26.297 1.00 0.00 C ATOM 152 CG1 VAL A 11 19.587 31.939 26.438 1.00 0.00 C ATOM 153 CG2 VAL A 11 17.683 31.062 25.197 1.00 0.00 C ATOM 0 H VAL A 11 18.101 27.946 26.421 1.00 0.00 H new ATOM 0 HA VAL A 11 20.113 29.660 25.075 1.00 0.00 H new ATOM 0 HB VAL A 11 18.194 30.453 27.233 1.00 0.00 H new ATOM 0 HG11 VAL A 11 18.971 32.806 26.679 1.00 0.00 H new ATOM 0 HG12 VAL A 11 20.312 31.776 27.235 1.00 0.00 H new ATOM 0 HG13 VAL A 11 20.113 32.117 25.500 1.00 0.00 H new ATOM 0 HG21 VAL A 11 17.136 31.959 25.487 1.00 0.00 H new ATOM 0 HG22 VAL A 11 18.213 31.246 24.262 1.00 0.00 H new ATOM 0 HG23 VAL A 11 16.982 30.238 25.061 1.00 0.00 H new ATOM 163 N ASP A 12 21.689 29.627 27.028 1.00 0.00 N ATOM 164 CA ASP A 12 22.787 29.491 28.004 1.00 0.00 C ATOM 165 C ASP A 12 22.551 30.338 29.287 1.00 0.00 C ATOM 166 O ASP A 12 23.462 30.971 29.829 1.00 0.00 O ATOM 167 CB ASP A 12 24.095 29.846 27.259 1.00 0.00 C ATOM 168 CG ASP A 12 25.300 28.994 27.659 1.00 0.00 C ATOM 169 OD1 ASP A 12 25.411 27.865 27.122 1.00 0.00 O ATOM 170 OD2 ASP A 12 26.203 29.495 28.372 1.00 0.00 O1- ATOM 0 H ASP A 12 21.947 30.240 26.255 1.00 0.00 H new ATOM 0 HA ASP A 12 22.846 28.469 28.379 1.00 0.00 H new ATOM 0 HB2 ASP A 12 23.929 29.739 26.187 1.00 0.00 H new ATOM 0 HB3 ASP A 12 24.330 30.895 27.442 1.00 0.00 H new ATOM 175 N VAL A 13 21.290 30.414 29.737 1.00 0.00 N ATOM 176 CA VAL A 13 20.801 31.345 30.779 1.00 0.00 C ATOM 177 C VAL A 13 21.323 31.081 32.184 1.00 0.00 C ATOM 178 O VAL A 13 21.680 32.037 32.879 1.00 0.00 O ATOM 179 CB VAL A 13 19.255 31.406 30.864 1.00 0.00 C ATOM 180 CG1 VAL A 13 18.705 32.552 30.028 1.00 0.00 C ATOM 181 CG2 VAL A 13 18.542 30.111 30.467 1.00 0.00 C ATOM 0 H VAL A 13 20.552 29.810 29.376 1.00 0.00 H new ATOM 0 HA VAL A 13 21.206 32.297 30.437 1.00 0.00 H new ATOM 0 HB VAL A 13 19.046 31.568 31.922 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.618 32.571 30.106 1.00 0.00 H new ATOM 0 HG12 VAL A 13 19.111 33.496 30.392 1.00 0.00 H new ATOM 0 HG13 VAL A 13 18.991 32.412 28.986 1.00 0.00 H new ATOM 0 HG21 VAL A 13 17.464 30.247 30.557 1.00 0.00 H new ATOM 0 HG22 VAL A 13 18.791 29.860 29.436 1.00 0.00 H new ATOM 0 HG23 VAL A 13 18.862 29.303 31.125 1.00 0.00 H new ATOM 191 N LYS A 14 21.322 29.818 32.625 1.00 0.00 N ATOM 192 CA LYS A 14 21.580 29.440 34.027 1.00 0.00 C ATOM 193 C LYS A 14 22.989 28.905 34.288 1.00 0.00 C ATOM 194 O LYS A 14 23.388 28.851 35.452 1.00 0.00 O ATOM 195 CB LYS A 14 20.500 28.466 34.548 1.00 0.00 C ATOM 196 CG LYS A 14 19.040 28.933 34.416 1.00 0.00 C ATOM 197 CD LYS A 14 18.788 30.363 34.904 1.00 0.00 C ATOM 198 CE LYS A 14 19.255 30.605 36.344 1.00 0.00 C ATOM 199 NZ LYS A 14 19.162 32.037 36.688 1.00 0.00 N1+ ATOM 0 H LYS A 14 21.141 29.019 32.017 1.00 0.00 H new ATOM 0 HA LYS A 14 21.520 30.368 34.595 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.606 27.521 34.016 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.701 28.264 35.600 1.00 0.00 H new ATOM 0 HG2 LYS A 14 18.741 28.861 33.370 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.401 28.252 34.978 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.300 31.061 34.242 1.00 0.00 H new ATOM 0 HD3 LYS A 14 17.722 30.581 34.834 1.00 0.00 H new ATOM 0 HE2 LYS A 14 18.645 30.020 37.033 1.00 0.00 H new ATOM 0 HE3 LYS A 14 20.284 30.264 36.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 19.483 32.180 37.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 19.763 32.589 36.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.175 32.352 36.597 1.00 0.00 H new ATOM 213 N GLY A 15 23.753 28.550 33.259 1.00 0.00 N ATOM 214 CA GLY A 15 25.153 28.140 33.410 1.00 0.00 C ATOM 215 C GLY A 15 25.809 27.587 32.145 1.00 0.00 C ATOM 216 O GLY A 15 25.156 27.295 31.145 1.00 0.00 O ATOM 0 H GLY A 15 23.422 28.537 32.294 1.00 0.00 H new ATOM 0 HA2 GLY A 15 25.731 28.998 33.755 1.00 0.00 H new ATOM 0 HA3 GLY A 15 25.211 27.382 34.191 1.00 0.00 H new ATOM 220 N ASP A 16 27.130 27.431 32.214 1.00 0.00 N ATOM 221 CA ASP A 16 28.017 27.098 31.098 1.00 0.00 C ATOM 222 C ASP A 16 28.163 25.579 30.863 1.00 0.00 C ATOM 223 O ASP A 16 29.150 24.945 31.252 1.00 0.00 O ATOM 224 CB ASP A 16 29.356 27.844 31.264 1.00 0.00 C ATOM 225 CG ASP A 16 30.170 27.465 32.508 1.00 0.00 C ATOM 226 OD1 ASP A 16 31.420 27.440 32.429 1.00 0.00 O ATOM 227 OD2 ASP A 16 29.594 27.200 33.592 1.00 0.00 O1- ATOM 0 H ASP A 16 27.637 27.538 33.093 1.00 0.00 H new ATOM 0 HA ASP A 16 27.557 27.449 30.174 1.00 0.00 H new ATOM 0 HB2 ASP A 16 29.967 27.660 30.381 1.00 0.00 H new ATOM 0 HB3 ASP A 16 29.155 28.915 31.295 1.00 0.00 H new ATOM 232 N CYS A 17 27.176 25.006 30.169 1.00 0.00 N ATOM 233 CA CYS A 17 27.140 23.624 29.647 1.00 0.00 C ATOM 234 C CYS A 17 28.437 23.194 28.932 1.00 0.00 C ATOM 235 O CYS A 17 28.803 22.015 28.982 1.00 0.00 O ATOM 236 CB CYS A 17 25.873 23.522 28.771 1.00 0.00 C ATOM 237 SG CYS A 17 25.939 22.724 27.140 1.00 0.00 S ATOM 0 H CYS A 17 26.326 25.520 29.939 1.00 0.00 H new ATOM 0 HA CYS A 17 27.086 22.909 30.468 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.119 22.995 29.356 1.00 0.00 H new ATOM 0 HB3 CYS A 17 25.506 24.537 28.618 1.00 0.00 H new ATOM 242 N LYS A 18 29.187 24.156 28.367 1.00 0.00 N ATOM 243 CA LYS A 18 30.576 24.025 27.884 1.00 0.00 C ATOM 244 C LYS A 18 31.393 23.026 28.712 1.00 0.00 C ATOM 245 O LYS A 18 32.032 22.160 28.123 1.00 0.00 O ATOM 246 CB LYS A 18 31.231 25.428 27.949 1.00 0.00 C ATOM 247 CG LYS A 18 32.764 25.496 27.754 1.00 0.00 C ATOM 248 CD LYS A 18 33.270 25.290 26.319 1.00 0.00 C ATOM 249 CE LYS A 18 32.947 26.534 25.477 1.00 0.00 C ATOM 250 NZ LYS A 18 33.558 26.471 24.132 1.00 0.00 N1+ ATOM 0 H LYS A 18 28.822 25.098 28.227 1.00 0.00 H new ATOM 0 HA LYS A 18 30.560 23.641 26.864 1.00 0.00 H new ATOM 0 HB2 LYS A 18 30.765 26.055 27.189 1.00 0.00 H new ATOM 0 HB3 LYS A 18 30.993 25.869 28.917 1.00 0.00 H new ATOM 0 HG2 LYS A 18 33.112 26.467 28.105 1.00 0.00 H new ATOM 0 HG3 LYS A 18 33.225 24.742 28.392 1.00 0.00 H new ATOM 0 HD2 LYS A 18 34.345 25.110 26.324 1.00 0.00 H new ATOM 0 HD3 LYS A 18 32.801 24.409 25.880 1.00 0.00 H new ATOM 0 HE2 LYS A 18 31.866 26.634 25.379 1.00 0.00 H new ATOM 0 HE3 LYS A 18 33.304 27.424 25.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 33.597 27.427 23.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 34.521 26.086 24.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 32.986 25.856 23.519 1.00 0.00 H new ATOM 264 N ARG A 19 31.377 23.115 30.050 1.00 0.00 N ATOM 265 CA ARG A 19 32.266 22.320 30.922 1.00 0.00 C ATOM 266 C ARG A 19 31.995 20.805 30.903 1.00 0.00 C ATOM 267 O ARG A 19 32.966 20.048 30.866 1.00 0.00 O ATOM 268 CB ARG A 19 32.301 22.919 32.343 1.00 0.00 C ATOM 269 CG ARG A 19 33.200 24.171 32.389 1.00 0.00 C ATOM 270 CD ARG A 19 33.446 24.694 33.812 1.00 0.00 C ATOM 271 NE ARG A 19 32.343 25.534 34.303 1.00 0.00 N ATOM 272 CZ ARG A 19 32.050 25.816 35.560 1.00 0.00 C ATOM 273 NH1 ARG A 19 32.716 25.333 36.564 1.00 0.00 N1+ ATOM 274 NH2 ARG A 19 31.068 26.618 35.824 1.00 0.00 N ATOM 0 H ARG A 19 30.751 23.737 30.561 1.00 0.00 H new ATOM 0 HA ARG A 19 33.268 22.397 30.499 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.290 23.180 32.657 1.00 0.00 H new ATOM 0 HB3 ARG A 19 32.671 22.174 33.047 1.00 0.00 H new ATOM 0 HG2 ARG A 19 34.158 23.938 31.925 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.741 24.961 31.794 1.00 0.00 H new ATOM 0 HD2 ARG A 19 33.583 23.849 34.487 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.372 25.269 33.829 1.00 0.00 H new ATOM 0 HE ARG A 19 31.736 25.945 33.593 1.00 0.00 H new ATOM 0 HH11 ARG A 19 33.504 24.706 36.399 1.00 0.00 H new ATOM 0 HH12 ARG A 19 32.452 25.580 37.518 1.00 0.00 H new ATOM 0 HH21 ARG A 19 30.526 27.028 35.064 1.00 0.00 H new ATOM 0 HH22 ARG A 19 30.837 26.840 36.792 1.00 0.00 H new ATOM 288 N HIS A 20 30.737 20.348 30.810 1.00 0.00 N ATOM 289 CA HIS A 20 30.407 18.903 30.720 1.00 0.00 C ATOM 290 C HIS A 20 30.855 18.285 29.388 1.00 0.00 C ATOM 291 O HIS A 20 31.291 17.133 29.344 1.00 0.00 O ATOM 292 CB HIS A 20 28.899 18.688 30.967 1.00 0.00 C ATOM 293 CG HIS A 20 28.309 17.443 30.337 1.00 0.00 C ATOM 294 ND1 HIS A 20 28.390 16.129 30.824 1.00 0.00 N ATOM 295 CD2 HIS A 20 27.626 17.432 29.157 1.00 0.00 C ATOM 296 CE1 HIS A 20 27.768 15.366 29.902 1.00 0.00 C ATOM 297 NE2 HIS A 20 27.295 16.123 28.899 1.00 0.00 N ATOM 0 H HIS A 20 29.920 20.958 30.794 1.00 0.00 H new ATOM 0 HA HIS A 20 30.965 18.384 31.499 1.00 0.00 H new ATOM 0 HB2 HIS A 20 28.726 18.647 32.042 1.00 0.00 H new ATOM 0 HB3 HIS A 20 28.359 19.556 30.590 1.00 0.00 H new ATOM 0 HD2 HIS A 20 27.390 18.288 28.542 1.00 0.00 H new ATOM 0 HE1 HIS A 20 27.665 14.293 29.962 1.00 0.00 H new ATOM 0 HE2 HIS A 20 26.779 15.785 28.086 1.00 0.00 H new ATOM 305 N CYS A 21 30.813 19.058 28.302 1.00 0.00 N ATOM 306 CA CYS A 21 31.310 18.605 27.004 1.00 0.00 C ATOM 307 C CYS A 21 32.840 18.737 26.909 1.00 0.00 C ATOM 308 O CYS A 21 33.520 17.815 26.455 1.00 0.00 O ATOM 309 CB CYS A 21 30.532 19.347 25.919 1.00 0.00 C ATOM 310 SG CYS A 21 28.752 18.988 25.932 1.00 0.00 S ATOM 0 H CYS A 21 30.437 20.006 28.297 1.00 0.00 H new ATOM 0 HA CYS A 21 31.134 17.538 26.864 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.679 20.419 26.046 1.00 0.00 H new ATOM 0 HB3 CYS A 21 30.941 19.082 24.944 1.00 0.00 H new ATOM 315 N LYS A 22 33.427 19.815 27.448 1.00 0.00 N ATOM 316 CA LYS A 22 34.871 20.039 27.477 1.00 0.00 C ATOM 317 C LYS A 22 35.604 18.962 28.280 1.00 0.00 C ATOM 318 O LYS A 22 36.703 18.572 27.890 1.00 0.00 O ATOM 319 CB LYS A 22 35.103 21.443 28.042 1.00 0.00 C ATOM 320 CG LYS A 22 36.569 21.851 27.950 1.00 0.00 C ATOM 321 CD LYS A 22 36.781 23.207 28.615 1.00 0.00 C ATOM 322 CE LYS A 22 38.248 23.526 28.388 1.00 0.00 C ATOM 323 NZ LYS A 22 38.681 24.726 29.132 1.00 0.00 N1+ ATOM 0 H LYS A 22 32.896 20.569 27.884 1.00 0.00 H new ATOM 0 HA LYS A 22 35.283 19.970 26.470 1.00 0.00 H new ATOM 0 HB2 LYS A 22 34.490 22.161 27.497 1.00 0.00 H new ATOM 0 HB3 LYS A 22 34.781 21.475 29.083 1.00 0.00 H new ATOM 0 HG2 LYS A 22 37.194 21.100 28.432 1.00 0.00 H new ATOM 0 HG3 LYS A 22 36.876 21.898 26.905 1.00 0.00 H new ATOM 0 HD2 LYS A 22 36.138 23.969 28.174 1.00 0.00 H new ATOM 0 HD3 LYS A 22 36.545 23.167 29.678 1.00 0.00 H new ATOM 0 HE2 LYS A 22 38.855 22.673 28.693 1.00 0.00 H new ATOM 0 HE3 LYS A 22 38.424 23.678 27.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 39.684 24.915 28.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 38.110 25.543 28.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 38.554 24.567 30.152 1.00 0.00 H new ATOM 337 N ALA A 23 34.974 18.425 29.329 1.00 0.00 N ATOM 338 CA ALA A 23 35.495 17.311 30.128 1.00 0.00 C ATOM 339 C ALA A 23 35.774 16.038 29.304 1.00 0.00 C ATOM 340 O ALA A 23 36.597 15.219 29.716 1.00 0.00 O ATOM 341 CB ALA A 23 34.492 17.020 31.249 1.00 0.00 C ATOM 0 H ALA A 23 34.067 18.760 29.654 1.00 0.00 H new ATOM 0 HA ALA A 23 36.462 17.610 30.533 1.00 0.00 H new ATOM 0 HB1 ALA A 23 34.857 16.194 31.859 1.00 0.00 H new ATOM 0 HB2 ALA A 23 34.375 17.907 31.872 1.00 0.00 H new ATOM 0 HB3 ALA A 23 33.529 16.752 30.815 1.00 0.00 H new ATOM 347 N GLU A 24 35.127 15.898 28.142 1.00 0.00 N ATOM 348 CA GLU A 24 35.290 14.787 27.194 1.00 0.00 C ATOM 349 C GLU A 24 35.742 15.283 25.799 1.00 0.00 C ATOM 350 O GLU A 24 35.555 14.600 24.787 1.00 0.00 O ATOM 351 CB GLU A 24 34.009 13.932 27.168 1.00 0.00 C ATOM 352 CG GLU A 24 33.637 13.411 28.567 1.00 0.00 C ATOM 353 CD GLU A 24 32.456 12.435 28.556 1.00 0.00 C ATOM 354 OE1 GLU A 24 32.672 11.197 28.539 1.00 0.00 O ATOM 355 OE2 GLU A 24 31.290 12.894 28.623 1.00 0.00 O1- ATOM 0 H GLU A 24 34.445 16.585 27.821 1.00 0.00 H new ATOM 0 HA GLU A 24 36.098 14.139 27.533 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.185 14.525 26.771 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.150 13.088 26.492 1.00 0.00 H new ATOM 0 HG2 GLU A 24 34.504 12.917 29.005 1.00 0.00 H new ATOM 0 HG3 GLU A 24 33.394 14.257 29.210 1.00 0.00 H new ATOM 362 N ASP A 25 36.366 16.472 25.742 1.00 0.00 N ATOM 363 CA ASP A 25 36.919 17.101 24.531 1.00 0.00 C ATOM 364 C ASP A 25 35.870 17.278 23.422 1.00 0.00 C ATOM 365 O ASP A 25 36.030 16.789 22.300 1.00 0.00 O ATOM 366 CB ASP A 25 38.190 16.333 24.125 1.00 0.00 C ATOM 367 CG ASP A 25 39.031 16.977 23.023 1.00 0.00 C ATOM 368 OD1 ASP A 25 39.081 18.222 22.933 1.00 0.00 O ATOM 369 OD2 ASP A 25 39.769 16.224 22.339 1.00 0.00 O1- ATOM 0 H ASP A 25 36.504 17.045 26.574 1.00 0.00 H new ATOM 0 HA ASP A 25 37.214 18.130 24.738 1.00 0.00 H new ATOM 0 HB2 ASP A 25 38.816 16.210 25.009 1.00 0.00 H new ATOM 0 HB3 ASP A 25 37.900 15.334 23.798 1.00 0.00 H new ATOM 374 N LYS A 26 34.778 17.966 23.780 1.00 0.00 N ATOM 375 CA LYS A 26 33.634 18.338 22.935 1.00 0.00 C ATOM 376 C LYS A 26 33.162 19.767 23.214 1.00 0.00 C ATOM 377 O LYS A 26 33.254 20.258 24.337 1.00 0.00 O ATOM 378 CB LYS A 26 32.440 17.418 23.247 1.00 0.00 C ATOM 379 CG LYS A 26 32.666 15.929 23.014 1.00 0.00 C ATOM 380 CD LYS A 26 32.618 15.599 21.524 1.00 0.00 C ATOM 381 CE LYS A 26 33.055 14.154 21.272 1.00 0.00 C ATOM 382 NZ LYS A 26 34.437 13.886 21.730 1.00 0.00 N1+ ATOM 0 H LYS A 26 34.662 18.302 24.736 1.00 0.00 H new ATOM 0 HA LYS A 26 33.964 18.249 21.900 1.00 0.00 H new ATOM 0 HB2 LYS A 26 32.157 17.564 24.290 1.00 0.00 H new ATOM 0 HB3 LYS A 26 31.593 17.736 22.639 1.00 0.00 H new ATOM 0 HG2 LYS A 26 33.632 15.635 23.425 1.00 0.00 H new ATOM 0 HG3 LYS A 26 31.906 15.354 23.543 1.00 0.00 H new ATOM 0 HD2 LYS A 26 31.607 15.749 21.146 1.00 0.00 H new ATOM 0 HD3 LYS A 26 33.267 16.281 20.975 1.00 0.00 H new ATOM 0 HE2 LYS A 26 32.370 13.477 21.783 1.00 0.00 H new ATOM 0 HE3 LYS A 26 32.982 13.937 20.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 34.941 13.334 21.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 34.932 14.787 21.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 34.410 13.349 22.620 1.00 0.00 H new ATOM 396 N GLU A 27 32.586 20.415 22.210 1.00 0.00 N ATOM 397 CA GLU A 27 31.832 21.652 22.368 1.00 0.00 C ATOM 398 C GLU A 27 30.506 21.330 23.043 1.00 0.00 C ATOM 399 O GLU A 27 29.931 20.278 22.789 1.00 0.00 O ATOM 400 CB GLU A 27 31.554 22.342 21.018 1.00 0.00 C ATOM 401 CG GLU A 27 32.666 23.296 20.571 1.00 0.00 C ATOM 402 CD GLU A 27 32.885 24.491 21.515 1.00 0.00 C ATOM 403 OE1 GLU A 27 32.206 24.624 22.565 1.00 0.00 O ATOM 404 OE2 GLU A 27 33.764 25.334 21.209 1.00 0.00 O1- ATOM 0 H GLU A 27 32.631 20.089 21.244 1.00 0.00 H new ATOM 0 HA GLU A 27 32.428 22.336 22.972 1.00 0.00 H new ATOM 0 HB2 GLU A 27 31.413 21.579 20.253 1.00 0.00 H new ATOM 0 HB3 GLU A 27 30.619 22.897 21.090 1.00 0.00 H new ATOM 0 HG2 GLU A 27 33.598 22.737 20.488 1.00 0.00 H new ATOM 0 HG3 GLU A 27 32.429 23.672 19.575 1.00 0.00 H new ATOM 411 N GLY A 28 30.022 22.236 23.884 1.00 0.00 N ATOM 412 CA GLY A 28 28.712 22.133 24.540 1.00 0.00 C ATOM 413 C GLY A 28 27.773 23.273 24.157 1.00 0.00 C ATOM 414 O GLY A 28 28.192 24.434 24.145 1.00 0.00 O ATOM 0 H GLY A 28 30.534 23.081 24.138 1.00 0.00 H new ATOM 0 HA2 GLY A 28 28.250 21.182 24.274 1.00 0.00 H new ATOM 0 HA3 GLY A 28 28.850 22.129 25.621 1.00 0.00 H new ATOM 418 N ILE A 29 26.515 22.945 23.847 1.00 0.00 N ATOM 419 CA ILE A 29 25.479 23.887 23.406 1.00 0.00 C ATOM 420 C ILE A 29 24.110 23.475 23.965 1.00 0.00 C ATOM 421 O ILE A 29 23.792 22.287 24.046 1.00 0.00 O ATOM 422 CB ILE A 29 25.527 24.017 21.863 1.00 0.00 C ATOM 423 CG1 ILE A 29 24.653 25.166 21.319 1.00 0.00 C ATOM 424 CG2 ILE A 29 25.303 22.700 21.103 1.00 0.00 C ATOM 425 CD1 ILE A 29 23.211 24.808 20.939 1.00 0.00 C ATOM 0 H ILE A 29 26.177 21.984 23.898 1.00 0.00 H new ATOM 0 HA ILE A 29 25.666 24.884 23.806 1.00 0.00 H new ATOM 0 HB ILE A 29 26.562 24.290 21.656 1.00 0.00 H new ATOM 0 HG12 ILE A 29 24.622 25.956 22.070 1.00 0.00 H new ATOM 0 HG13 ILE A 29 25.145 25.581 20.439 1.00 0.00 H new ATOM 0 HG21 ILE A 29 25.353 22.886 20.030 1.00 0.00 H new ATOM 0 HG22 ILE A 29 26.074 21.982 21.384 1.00 0.00 H new ATOM 0 HG23 ILE A 29 24.322 22.296 21.356 1.00 0.00 H new ATOM 0 HD11 ILE A 29 22.700 25.698 20.571 1.00 0.00 H new ATOM 0 HD12 ILE A 29 23.219 24.046 20.160 1.00 0.00 H new ATOM 0 HD13 ILE A 29 22.688 24.426 21.816 1.00 0.00 H new ATOM 437 N CYS A 30 23.298 24.443 24.392 1.00 0.00 N ATOM 438 CA CYS A 30 22.020 24.167 25.047 1.00 0.00 C ATOM 439 C CYS A 30 20.903 23.792 24.059 1.00 0.00 C ATOM 440 O CYS A 30 20.445 24.615 23.269 1.00 0.00 O ATOM 441 CB CYS A 30 21.629 25.348 25.939 1.00 0.00 C ATOM 442 SG CYS A 30 22.744 25.610 27.339 1.00 0.00 S ATOM 0 H CYS A 30 23.507 25.437 24.294 1.00 0.00 H new ATOM 0 HA CYS A 30 22.153 23.284 25.673 1.00 0.00 H new ATOM 0 HB2 CYS A 30 21.602 26.254 25.334 1.00 0.00 H new ATOM 0 HB3 CYS A 30 20.619 25.187 26.317 1.00 0.00 H new ATOM 447 N HIS A 31 20.429 22.548 24.157 1.00 0.00 N ATOM 448 CA HIS A 31 19.289 21.982 23.432 1.00 0.00 C ATOM 449 C HIS A 31 18.123 21.811 24.410 1.00 0.00 C ATOM 450 O HIS A 31 18.105 20.905 25.245 1.00 0.00 O ATOM 451 CB HIS A 31 19.704 20.654 22.778 1.00 0.00 C ATOM 452 CG HIS A 31 20.293 20.815 21.399 1.00 0.00 C ATOM 453 ND1 HIS A 31 19.786 20.222 20.239 1.00 0.00 N ATOM 454 CD2 HIS A 31 21.395 21.548 21.073 1.00 0.00 C ATOM 455 CE1 HIS A 31 20.593 20.626 19.240 1.00 0.00 C ATOM 456 NE2 HIS A 31 21.571 21.411 19.713 1.00 0.00 N ATOM 0 H HIS A 31 20.858 21.867 24.784 1.00 0.00 H new ATOM 0 HA HIS A 31 18.965 22.648 22.632 1.00 0.00 H new ATOM 0 HB2 HIS A 31 20.432 20.156 23.418 1.00 0.00 H new ATOM 0 HB3 HIS A 31 18.833 20.001 22.717 1.00 0.00 H new ATOM 0 HD2 HIS A 31 22.010 22.124 21.749 1.00 0.00 H new ATOM 0 HE1 HIS A 31 20.470 20.355 18.202 1.00 0.00 H new ATOM 0 HE2 HIS A 31 22.317 21.834 19.161 1.00 0.00 H new ATOM 464 N GLY A 32 17.149 22.715 24.337 1.00 0.00 N ATOM 465 CA GLY A 32 16.029 22.774 25.279 1.00 0.00 C ATOM 466 C GLY A 32 16.521 23.039 26.705 1.00 0.00 C ATOM 467 O GLY A 32 17.114 24.086 26.969 1.00 0.00 O ATOM 0 H GLY A 32 17.113 23.435 23.616 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.337 23.561 24.978 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.476 21.835 25.250 1.00 0.00 H new ATOM 471 N THR A 33 16.303 22.091 27.619 1.00 0.00 N ATOM 472 CA THR A 33 16.794 22.119 29.016 1.00 0.00 C ATOM 473 C THR A 33 18.034 21.248 29.263 1.00 0.00 C ATOM 474 O THR A 33 18.373 20.959 30.412 1.00 0.00 O ATOM 475 CB THR A 33 15.670 21.761 30.001 1.00 0.00 C ATOM 476 OG1 THR A 33 15.146 20.485 29.712 1.00 0.00 O ATOM 477 CG2 THR A 33 14.507 22.740 29.894 1.00 0.00 C ATOM 0 H THR A 33 15.763 21.251 27.409 1.00 0.00 H new ATOM 0 HA THR A 33 17.114 23.146 29.193 1.00 0.00 H new ATOM 0 HB THR A 33 16.109 21.794 30.998 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.433 20.272 30.350 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.729 22.459 30.603 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.857 23.747 30.119 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.102 22.715 28.882 1.00 0.00 H new ATOM 485 N LYS A 34 18.709 20.806 28.195 1.00 0.00 N ATOM 486 CA LYS A 34 19.836 19.859 28.215 1.00 0.00 C ATOM 487 C LYS A 34 21.060 20.388 27.460 1.00 0.00 C ATOM 488 O LYS A 34 20.962 21.338 26.685 1.00 0.00 O ATOM 489 CB LYS A 34 19.355 18.526 27.613 1.00 0.00 C ATOM 490 CG LYS A 34 18.247 17.836 28.424 1.00 0.00 C ATOM 491 CD LYS A 34 18.713 17.362 29.807 1.00 0.00 C ATOM 492 CE LYS A 34 17.716 16.380 30.427 1.00 0.00 C ATOM 493 NZ LYS A 34 16.485 17.025 30.943 1.00 0.00 N1+ ATOM 0 H LYS A 34 18.476 21.111 27.250 1.00 0.00 H new ATOM 0 HA LYS A 34 20.157 19.718 29.247 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.991 18.707 26.601 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.205 17.849 27.530 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.412 18.526 28.546 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.873 16.981 27.861 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.689 16.885 29.720 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.836 18.222 30.465 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.440 15.636 29.679 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.205 15.846 31.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.857 16.301 31.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.737 17.715 31.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.996 17.512 30.165 1.00 0.00 H new ATOM 507 N CYS A 35 22.217 19.759 27.672 1.00 0.00 N ATOM 508 CA CYS A 35 23.476 20.091 26.997 1.00 0.00 C ATOM 509 C CYS A 35 23.796 19.048 25.919 1.00 0.00 C ATOM 510 O CYS A 35 23.934 17.857 26.224 1.00 0.00 O ATOM 511 CB CYS A 35 24.581 20.166 28.050 1.00 0.00 C ATOM 512 SG CYS A 35 26.203 20.746 27.505 1.00 0.00 S ATOM 0 H CYS A 35 22.309 18.987 28.332 1.00 0.00 H new ATOM 0 HA CYS A 35 23.394 21.055 26.495 1.00 0.00 H new ATOM 0 HB2 CYS A 35 24.240 20.821 28.852 1.00 0.00 H new ATOM 0 HB3 CYS A 35 24.705 19.173 28.481 1.00 0.00 H new ATOM 517 N LYS A 36 23.931 19.491 24.666 1.00 0.00 N ATOM 518 CA LYS A 36 24.283 18.705 23.503 1.00 0.00 C ATOM 519 C LYS A 36 25.779 18.880 23.294 1.00 0.00 C ATOM 520 O LYS A 36 26.251 20.003 23.111 1.00 0.00 O ATOM 521 CB LYS A 36 23.454 19.262 22.333 1.00 0.00 C ATOM 522 CG LYS A 36 23.841 18.732 20.954 1.00 0.00 C ATOM 523 CD LYS A 36 23.485 17.259 20.782 1.00 0.00 C ATOM 524 CE LYS A 36 24.036 16.832 19.429 1.00 0.00 C ATOM 525 NZ LYS A 36 23.587 15.467 19.082 1.00 0.00 N1+ ATOM 0 H LYS A 36 23.786 20.473 24.433 1.00 0.00 H new ATOM 0 HA LYS A 36 24.073 17.640 23.602 1.00 0.00 H new ATOM 0 HB2 LYS A 36 22.403 19.033 22.511 1.00 0.00 H new ATOM 0 HB3 LYS A 36 23.547 20.348 22.327 1.00 0.00 H new ATOM 0 HG2 LYS A 36 23.336 19.318 20.186 1.00 0.00 H new ATOM 0 HG3 LYS A 36 24.912 18.865 20.803 1.00 0.00 H new ATOM 0 HD2 LYS A 36 23.918 16.660 21.583 1.00 0.00 H new ATOM 0 HD3 LYS A 36 22.405 17.114 20.824 1.00 0.00 H new ATOM 0 HE2 LYS A 36 23.708 17.533 18.661 1.00 0.00 H new ATOM 0 HE3 LYS A 36 25.125 16.867 19.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 23.976 15.199 18.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 23.921 14.798 19.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 22.548 15.443 19.042 1.00 0.00 H new ATOM 539 N CYS A 37 26.507 17.776 23.326 1.00 0.00 N ATOM 540 CA CYS A 37 27.922 17.764 22.967 1.00 0.00 C ATOM 541 C CYS A 37 28.120 17.618 21.450 1.00 0.00 C ATOM 542 O CYS A 37 27.420 16.850 20.785 1.00 0.00 O ATOM 543 CB CYS A 37 28.710 16.758 23.805 1.00 0.00 C ATOM 544 SG CYS A 37 28.560 16.978 25.601 1.00 0.00 S ATOM 0 H CYS A 37 26.139 16.865 23.600 1.00 0.00 H new ATOM 0 HA CYS A 37 28.346 18.736 23.219 1.00 0.00 H new ATOM 0 HB2 CYS A 37 28.377 15.753 23.547 1.00 0.00 H new ATOM 0 HB3 CYS A 37 29.763 16.825 23.532 1.00 0.00 H new ATOM 549 N GLY A 38 29.065 18.390 20.913 1.00 0.00 N ATOM 550 CA GLY A 38 29.294 18.606 19.486 1.00 0.00 C ATOM 551 C GLY A 38 30.676 18.177 18.993 1.00 0.00 C ATOM 552 O GLY A 38 31.085 17.026 19.157 1.00 0.00 O ATOM 0 H GLY A 38 29.725 18.908 21.493 1.00 0.00 H new ATOM 0 HA2 GLY A 38 28.536 18.061 18.923 1.00 0.00 H new ATOM 0 HA3 GLY A 38 29.156 19.664 19.265 1.00 0.00 H new ATOM 556 N VAL A 39 31.382 19.115 18.361 1.00 0.00 N ATOM 557 CA VAL A 39 32.722 18.943 17.781 1.00 0.00 C ATOM 558 C VAL A 39 33.860 19.107 18.802 1.00 0.00 C ATOM 559 O VAL A 39 33.656 19.743 19.831 1.00 0.00 O ATOM 560 CB VAL A 39 32.916 19.911 16.600 1.00 0.00 C ATOM 561 CG1 VAL A 39 32.043 19.457 15.428 1.00 0.00 C ATOM 562 CG2 VAL A 39 32.633 21.380 16.931 1.00 0.00 C ATOM 0 H VAL A 39 31.022 20.061 18.231 1.00 0.00 H new ATOM 0 HA VAL A 39 32.777 17.913 17.429 1.00 0.00 H new ATOM 0 HB VAL A 39 33.974 19.871 16.339 1.00 0.00 H new ATOM 0 HG11 VAL A 39 32.177 20.140 14.589 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.333 18.450 15.127 1.00 0.00 H new ATOM 0 HG13 VAL A 39 30.996 19.457 15.732 1.00 0.00 H new ATOM 0 HG21 VAL A 39 32.794 21.991 16.043 1.00 0.00 H new ATOM 0 HG22 VAL A 39 31.600 21.486 17.261 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.303 21.710 17.725 1.00 0.00 H new ATOM 572 N PRO A 40 35.061 18.554 18.558 1.00 0.00 N ATOM 573 CA PRO A 40 36.195 18.619 19.487 1.00 0.00 C ATOM 574 C PRO A 40 36.745 20.035 19.721 1.00 0.00 C ATOM 575 O PRO A 40 36.525 20.939 18.911 1.00 0.00 O ATOM 576 CB PRO A 40 37.253 17.664 18.921 1.00 0.00 C ATOM 577 CG PRO A 40 36.914 17.591 17.435 1.00 0.00 C ATOM 578 CD PRO A 40 35.392 17.714 17.421 1.00 0.00 C ATOM 0 HA PRO A 40 35.872 18.321 20.484 1.00 0.00 H new ATOM 0 HB2 PRO A 40 38.262 18.042 19.084 1.00 0.00 H new ATOM 0 HB3 PRO A 40 37.200 16.683 19.393 1.00 0.00 H new ATOM 0 HG2 PRO A 40 37.389 18.395 16.873 1.00 0.00 H new ATOM 0 HG3 PRO A 40 37.247 16.653 16.991 1.00 0.00 H new ATOM 0 HD2 PRO A 40 35.043 18.159 16.489 1.00 0.00 H new ATOM 0 HD3 PRO A 40 34.918 16.736 17.504 1.00 0.00 H new ATOM 586 N ILE A 41 37.467 20.226 20.837 1.00 0.00 N ATOM 587 CA ILE A 41 37.959 21.539 21.286 1.00 0.00 C ATOM 588 C ILE A 41 39.492 21.657 21.276 1.00 0.00 C ATOM 589 O ILE A 41 40.028 22.705 20.915 1.00 0.00 O ATOM 590 CB ILE A 41 37.287 21.937 22.623 1.00 0.00 C ATOM 591 CG1 ILE A 41 37.547 21.067 23.867 1.00 0.00 C ATOM 592 CG2 ILE A 41 35.765 21.918 22.443 1.00 0.00 C ATOM 593 CD1 ILE A 41 38.855 21.357 24.600 1.00 0.00 C ATOM 0 H ILE A 41 37.729 19.463 21.461 1.00 0.00 H new ATOM 0 HA ILE A 41 37.654 22.283 20.550 1.00 0.00 H new ATOM 0 HB ILE A 41 37.741 22.907 22.824 1.00 0.00 H new ATOM 0 HG12 ILE A 41 36.720 21.202 24.565 1.00 0.00 H new ATOM 0 HG13 ILE A 41 37.542 20.019 23.566 1.00 0.00 H new ATOM 0 HG21 ILE A 41 35.284 22.197 23.381 1.00 0.00 H new ATOM 0 HG22 ILE A 41 35.482 22.627 21.665 1.00 0.00 H new ATOM 0 HG23 ILE A 41 35.445 20.916 22.155 1.00 0.00 H new ATOM 0 HD11 ILE A 41 38.945 20.693 25.460 1.00 0.00 H new ATOM 0 HD12 ILE A 41 39.695 21.192 23.925 1.00 0.00 H new ATOM 0 HD13 ILE A 41 38.860 22.393 24.939 1.00 0.00 H new ATOM 605 N SER A 42 40.208 20.573 21.595 1.00 0.00 N ATOM 606 CA SER A 42 41.657 20.423 21.546 1.00 0.00 C ATOM 607 C SER A 42 42.501 21.561 22.162 1.00 0.00 C ATOM 608 O SER A 42 43.634 21.805 21.737 1.00 0.00 O ATOM 609 CB SER A 42 42.058 20.062 20.118 1.00 0.00 C ATOM 610 OG SER A 42 41.305 18.983 19.582 1.00 0.00 O ATOM 0 H SER A 42 39.752 19.719 21.917 1.00 0.00 H new ATOM 0 HA SER A 42 41.907 19.608 22.226 1.00 0.00 H new ATOM 0 HB2 SER A 42 41.932 20.937 19.480 1.00 0.00 H new ATOM 0 HB3 SER A 42 43.117 19.803 20.099 1.00 0.00 H new ATOM 0 HG SER A 42 41.604 18.798 18.667 1.00 0.00 H new ATOM 616 N TYR A 43 41.970 22.215 23.198 1.00 0.00 N ATOM 617 CA TYR A 43 42.643 23.197 24.064 1.00 0.00 C ATOM 618 C TYR A 43 42.427 22.903 25.559 1.00 0.00 C ATOM 619 O TYR A 43 41.577 22.091 25.926 1.00 0.00 O ATOM 620 CB TYR A 43 42.298 24.639 23.673 1.00 0.00 C ATOM 621 CG TYR A 43 40.847 25.031 23.829 1.00 0.00 C ATOM 622 CD1 TYR A 43 40.071 25.269 22.683 1.00 0.00 C ATOM 623 CD2 TYR A 43 40.277 25.175 25.107 1.00 0.00 C ATOM 624 CE1 TYR A 43 38.721 25.628 22.806 1.00 0.00 C ATOM 625 CE2 TYR A 43 38.923 25.521 25.231 1.00 0.00 C ATOM 626 CZ TYR A 43 38.135 25.754 24.084 1.00 0.00 C ATOM 627 OH TYR A 43 36.827 26.103 24.204 1.00 0.00 O ATOM 0 H TYR A 43 41.000 22.067 23.475 1.00 0.00 H new ATOM 0 HA TYR A 43 43.715 23.090 23.897 1.00 0.00 H new ATOM 0 HB2 TYR A 43 42.905 25.315 24.276 1.00 0.00 H new ATOM 0 HB3 TYR A 43 42.587 24.793 22.633 1.00 0.00 H new ATOM 0 HD1 TYR A 43 40.516 25.175 21.703 1.00 0.00 H new ATOM 0 HD2 TYR A 43 40.880 25.020 25.990 1.00 0.00 H new ATOM 0 HE1 TYR A 43 38.129 25.808 21.921 1.00 0.00 H new ATOM 0 HE2 TYR A 43 38.480 25.610 26.212 1.00 0.00 H new ATOM 0 HH TYR A 43 36.585 26.143 25.153 1.00 0.00 H new ATOM 637 N LEU A 44 43.200 23.562 26.431 1.00 0.00 N ATOM 638 CA LEU A 44 43.222 23.364 27.891 1.00 0.00 C ATOM 639 C LEU A 44 41.944 23.770 28.649 1.00 0.00 C ATOM 640 O LEU A 44 41.459 22.932 29.443 1.00 0.00 O ATOM 641 CB LEU A 44 44.525 23.980 28.458 1.00 0.00 C ATOM 642 CG LEU A 44 44.604 25.513 28.606 1.00 0.00 C ATOM 643 CD1 LEU A 44 45.977 25.856 29.176 1.00 0.00 C ATOM 644 CD2 LEU A 44 44.452 26.277 27.290 1.00 0.00 C ATOM 645 OXT LEU A 44 41.438 24.907 28.532 1.00 0.00 O1- ATOM 0 H LEU A 44 43.857 24.280 26.128 1.00 0.00 H new ATOM 0 HA LEU A 44 43.226 22.289 28.070 1.00 0.00 H new ATOM 0 HB2 LEU A 44 44.700 23.542 29.440 1.00 0.00 H new ATOM 0 HB3 LEU A 44 45.348 23.665 27.817 1.00 0.00 H new ATOM 0 HG LEU A 44 43.776 25.811 29.250 1.00 0.00 H new ATOM 0 HD11 LEU A 44 46.063 26.936 29.292 1.00 0.00 H new ATOM 0 HD12 LEU A 44 46.098 25.376 30.147 1.00 0.00 H new ATOM 0 HD13 LEU A 44 46.752 25.501 28.497 1.00 0.00 H new ATOM 0 HD21 LEU A 44 44.519 27.348 27.481 1.00 0.00 H new ATOM 0 HD22 LEU A 44 45.245 25.980 26.603 1.00 0.00 H new ATOM 0 HD23 LEU A 44 43.483 26.048 26.846 1.00 0.00 H new TER 657 LEU A 44