USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 278 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 8 GLN : amide:sc=-0.000242 K(o=1.3,f=-0.45!) USER MOD Set 1.2: A 10 SER OG : rot 11:sc= 1.26 USER MOD Single : A 1 GLU N :NH3+ -111:sc= 0.438 (180deg=0.0364) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -130:sc= -0.0539 (180deg=-0.452) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 15 GLN : amide:sc= 0.306 X(o=0.31,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0661 K(o=-0.066,f=-0.7) USER MOD Single : A 24 SER OG : rot -31:sc= 0.568 USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= 0.958 (180deg=0.797) USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 1.11 (180deg=1.07) USER MOD Single : A 36 ASN : amide:sc= -0.709 K(o=-0.71,f=-1.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 23.588 2.339 15.746 1.00 0.00 N ATOM 2 CA GLU A 1 22.159 2.421 15.377 1.00 0.00 C ATOM 3 C GLU A 1 21.939 3.906 15.377 1.00 0.00 C ATOM 4 O GLU A 1 22.729 4.622 15.998 1.00 0.00 O ATOM 5 CB GLU A 1 21.316 1.623 16.417 1.00 0.00 C ATOM 6 CG GLU A 1 19.841 1.341 16.043 1.00 0.00 C ATOM 7 CD GLU A 1 18.897 2.451 16.501 1.00 0.00 C ATOM 8 OE1 GLU A 1 19.345 3.360 17.247 1.00 0.00 O ATOM 9 OE2 GLU A 1 17.711 2.394 16.094 1.00 0.00 O ATOM 0 H1 GLU A 1 24.139 2.003 14.930 1.00 0.00 H new ATOM 0 H2 GLU A 1 23.928 3.280 16.030 1.00 0.00 H new ATOM 0 H3 GLU A 1 23.704 1.676 16.538 1.00 0.00 H new ATOM 0 HA GLU A 1 21.868 1.982 14.423 1.00 0.00 H new ATOM 0 HB2 GLU A 1 21.811 0.668 16.596 1.00 0.00 H new ATOM 0 HB3 GLU A 1 21.330 2.171 17.359 1.00 0.00 H new ATOM 0 HG2 GLU A 1 19.760 1.223 14.962 1.00 0.00 H new ATOM 0 HG3 GLU A 1 19.530 0.397 16.491 1.00 0.00 H new ATOM 18 N ALA A 2 20.909 4.402 14.661 1.00 0.00 N ATOM 19 CA ALA A 2 20.605 5.795 14.534 1.00 0.00 C ATOM 20 C ALA A 2 19.364 5.700 13.705 1.00 0.00 C ATOM 21 O ALA A 2 18.826 4.609 13.531 1.00 0.00 O ATOM 22 CB ALA A 2 21.690 6.659 13.817 1.00 0.00 C ATOM 0 H ALA A 2 20.261 3.804 14.149 1.00 0.00 H new ATOM 0 HA ALA A 2 20.524 6.298 15.497 1.00 0.00 H new ATOM 0 HB1 ALA A 2 21.359 7.697 13.775 1.00 0.00 H new ATOM 0 HB2 ALA A 2 22.627 6.599 14.371 1.00 0.00 H new ATOM 0 HB3 ALA A 2 21.842 6.285 12.805 1.00 0.00 H new ATOM 28 N TYR A 3 18.931 6.828 13.130 1.00 0.00 N ATOM 29 CA TYR A 3 17.714 6.978 12.388 1.00 0.00 C ATOM 30 C TYR A 3 18.209 7.962 11.360 1.00 0.00 C ATOM 31 O TYR A 3 19.400 8.289 11.354 1.00 0.00 O ATOM 32 CB TYR A 3 16.493 7.468 13.273 1.00 0.00 C ATOM 33 CG TYR A 3 16.598 8.896 13.783 1.00 0.00 C ATOM 34 CD1 TYR A 3 17.635 9.284 14.652 1.00 0.00 C ATOM 35 CD2 TYR A 3 15.772 9.894 13.228 1.00 0.00 C ATOM 36 CE1 TYR A 3 17.905 10.641 14.881 1.00 0.00 C ATOM 37 CE2 TYR A 3 16.032 11.250 13.456 1.00 0.00 C ATOM 38 CZ TYR A 3 17.102 11.624 14.281 1.00 0.00 C ATOM 39 OH TYR A 3 17.369 12.989 14.469 1.00 0.00 O ATOM 0 H TYR A 3 19.463 7.697 13.184 1.00 0.00 H new ATOM 0 HA TYR A 3 17.282 6.069 11.971 1.00 0.00 H new ATOM 0 HB2 TYR A 3 15.579 7.374 12.687 1.00 0.00 H new ATOM 0 HB3 TYR A 3 16.393 6.800 14.128 1.00 0.00 H new ATOM 0 HD1 TYR A 3 18.228 8.530 15.147 1.00 0.00 H new ATOM 0 HD2 TYR A 3 14.927 9.608 12.619 1.00 0.00 H new ATOM 0 HE1 TYR A 3 18.729 10.929 15.517 1.00 0.00 H new ATOM 0 HE2 TYR A 3 15.411 12.006 12.998 1.00 0.00 H new ATOM 0 HH TYR A 3 16.710 13.522 13.977 1.00 0.00 H new ATOM 49 N LYS A 4 17.310 8.505 10.507 1.00 0.00 N ATOM 50 CA LYS A 4 17.625 9.667 9.699 1.00 0.00 C ATOM 51 C LYS A 4 16.395 10.518 9.707 1.00 0.00 C ATOM 52 O LYS A 4 16.377 11.590 10.301 1.00 0.00 O ATOM 53 CB LYS A 4 18.023 9.359 8.226 1.00 0.00 C ATOM 54 CG LYS A 4 19.356 8.619 8.104 1.00 0.00 C ATOM 55 CD LYS A 4 19.840 8.564 6.662 1.00 0.00 C ATOM 56 CE LYS A 4 21.133 7.746 6.491 1.00 0.00 C ATOM 57 NZ LYS A 4 21.631 7.760 5.089 1.00 0.00 N ATOM 0 H LYS A 4 16.365 8.144 10.373 1.00 0.00 H new ATOM 0 HA LYS A 4 18.503 10.149 10.129 1.00 0.00 H new ATOM 0 HB2 LYS A 4 17.239 8.761 7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 4 18.082 10.294 7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.105 9.115 8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 4 19.246 7.606 8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 4 19.058 8.131 6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.009 9.579 6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.903 8.146 7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.952 6.716 6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.503 7.196 5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 20.909 7.354 4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 21.830 8.739 4.801 1.00 0.00 H new ATOM 71 N LYS A 5 15.337 10.050 9.009 1.00 0.00 N ATOM 72 CA LYS A 5 14.151 10.830 8.752 1.00 0.00 C ATOM 73 C LYS A 5 13.088 9.837 8.360 1.00 0.00 C ATOM 74 O LYS A 5 13.018 9.390 7.215 1.00 0.00 O ATOM 75 CB LYS A 5 14.351 11.871 7.601 1.00 0.00 C ATOM 76 CG LYS A 5 13.260 12.952 7.460 1.00 0.00 C ATOM 77 CD LYS A 5 13.178 13.902 8.667 1.00 0.00 C ATOM 78 CE LYS A 5 12.385 15.188 8.381 1.00 0.00 C ATOM 79 NZ LYS A 5 12.397 16.097 9.558 1.00 0.00 N ATOM 0 H LYS A 5 15.302 9.110 8.614 1.00 0.00 H new ATOM 0 HA LYS A 5 13.886 11.409 9.637 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.309 12.369 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.420 11.329 6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.453 13.536 6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.294 12.466 7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.715 13.377 9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.188 14.169 8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.813 15.699 7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.357 14.935 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.855 16.957 9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.967 15.615 10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.378 16.355 9.787 1.00 0.00 H new ATOM 93 N ALA A 6 12.189 9.487 9.316 1.00 0.00 N ATOM 94 CA ALA A 6 11.027 8.640 9.085 1.00 0.00 C ATOM 95 C ALA A 6 9.857 9.512 8.678 1.00 0.00 C ATOM 96 O ALA A 6 9.339 10.278 9.485 1.00 0.00 O ATOM 97 CB ALA A 6 10.646 7.805 10.335 1.00 0.00 C ATOM 0 H ALA A 6 12.268 9.801 10.283 1.00 0.00 H new ATOM 0 HA ALA A 6 11.278 7.935 8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.774 7.191 10.110 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.481 7.162 10.611 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.415 8.475 11.163 1.00 0.00 H new ATOM 103 N LYS A 7 9.470 9.447 7.380 1.00 0.00 N ATOM 104 CA LYS A 7 8.406 10.211 6.752 1.00 0.00 C ATOM 105 C LYS A 7 7.183 9.326 6.642 1.00 0.00 C ATOM 106 O LYS A 7 7.253 8.210 6.119 1.00 0.00 O ATOM 107 CB LYS A 7 8.811 10.817 5.362 1.00 0.00 C ATOM 108 CG LYS A 7 8.924 9.908 4.106 1.00 0.00 C ATOM 109 CD LYS A 7 9.960 8.766 4.159 1.00 0.00 C ATOM 110 CE LYS A 7 9.785 7.684 3.077 1.00 0.00 C ATOM 111 NZ LYS A 7 8.458 7.029 3.204 1.00 0.00 N ATOM 0 H LYS A 7 9.929 8.819 6.721 1.00 0.00 H new ATOM 0 HA LYS A 7 8.188 11.075 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.088 11.598 5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.777 11.305 5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.945 9.468 3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.160 10.540 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.958 9.195 4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.907 8.292 5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.883 8.132 2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.575 6.939 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.579 5.996 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.009 7.325 4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.856 7.307 2.403 1.00 0.00 H new ATOM 125 N GLN A 8 6.029 9.812 7.147 1.00 0.00 N ATOM 126 CA GLN A 8 4.793 9.080 7.209 1.00 0.00 C ATOM 127 C GLN A 8 3.827 10.227 7.282 1.00 0.00 C ATOM 128 O GLN A 8 4.220 11.301 7.725 1.00 0.00 O ATOM 129 CB GLN A 8 4.696 8.173 8.481 1.00 0.00 C ATOM 130 CG GLN A 8 3.420 7.307 8.581 1.00 0.00 C ATOM 131 CD GLN A 8 3.515 6.383 9.796 1.00 0.00 C ATOM 132 OE1 GLN A 8 4.614 6.076 10.241 1.00 0.00 O ATOM 133 NE2 GLN A 8 2.368 5.919 10.343 1.00 0.00 N ATOM 0 H GLN A 8 5.953 10.755 7.528 1.00 0.00 H new ATOM 0 HA GLN A 8 4.638 8.382 6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.564 7.515 8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.754 8.808 9.365 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.541 7.946 8.667 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.298 6.717 7.673 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.468 6.193 9.949 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.403 5.295 11.149 1.00 0.00 H new ATOM 142 N ALA A 9 2.566 10.044 6.837 1.00 0.00 N ATOM 143 CA ALA A 9 1.465 10.981 7.024 1.00 0.00 C ATOM 144 C ALA A 9 0.609 10.451 8.158 1.00 0.00 C ATOM 145 O ALA A 9 -0.307 9.671 7.911 1.00 0.00 O ATOM 146 CB ALA A 9 0.610 11.157 5.733 1.00 0.00 C ATOM 0 H ALA A 9 2.289 9.208 6.322 1.00 0.00 H new ATOM 0 HA ALA A 9 1.866 11.967 7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.197 11.864 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.240 11.535 4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.188 10.195 5.442 1.00 0.00 H new ATOM 152 N SER A 10 0.887 10.792 9.436 1.00 0.00 N ATOM 153 CA SER A 10 0.173 10.245 10.565 1.00 0.00 C ATOM 154 C SER A 10 0.730 11.045 11.702 1.00 0.00 C ATOM 155 O SER A 10 1.564 11.930 11.485 1.00 0.00 O ATOM 156 CB SER A 10 0.419 8.711 10.845 1.00 0.00 C ATOM 157 OG SER A 10 -0.153 7.869 9.841 1.00 0.00 O ATOM 0 H SER A 10 1.617 11.456 9.693 1.00 0.00 H new ATOM 0 HA SER A 10 -0.903 10.307 10.402 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.491 8.524 10.903 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.003 8.451 11.816 1.00 0.00 H new ATOM 0 HG SER A 10 -0.436 8.415 9.078 1.00 0.00 H new ATOM 163 N GLN A 11 0.324 10.652 12.947 1.00 0.00 N ATOM 164 CA GLN A 11 0.651 11.218 14.259 1.00 0.00 C ATOM 165 C GLN A 11 2.131 11.189 14.621 1.00 0.00 C ATOM 166 O GLN A 11 2.612 12.010 15.401 1.00 0.00 O ATOM 167 CB GLN A 11 -0.186 10.561 15.402 1.00 0.00 C ATOM 168 CG GLN A 11 -0.065 9.021 15.580 1.00 0.00 C ATOM 169 CD GLN A 11 -1.124 8.557 16.599 1.00 0.00 C ATOM 170 OE1 GLN A 11 -1.450 9.308 17.511 1.00 0.00 O ATOM 171 NE2 GLN A 11 -1.696 7.337 16.450 1.00 0.00 N ATOM 0 H GLN A 11 -0.301 9.852 13.047 1.00 0.00 H new ATOM 0 HA GLN A 11 0.381 12.270 14.164 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.099 11.033 16.342 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.236 10.799 15.231 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.213 8.517 14.625 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.934 8.758 15.927 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.408 6.729 15.683 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.414 7.027 17.105 1.00 0.00 H new ATOM 180 N ASP A 12 2.901 10.301 13.938 1.00 0.00 N ATOM 181 CA ASP A 12 4.357 10.223 13.871 1.00 0.00 C ATOM 182 C ASP A 12 5.014 11.425 13.213 1.00 0.00 C ATOM 183 O ASP A 12 6.137 11.785 13.543 1.00 0.00 O ATOM 184 CB ASP A 12 4.796 8.956 13.069 1.00 0.00 C ATOM 185 CG ASP A 12 4.784 7.790 14.042 1.00 0.00 C ATOM 186 OD1 ASP A 12 5.781 7.703 14.805 1.00 0.00 O ATOM 187 OD2 ASP A 12 3.784 7.019 14.049 1.00 0.00 O ATOM 0 H ASP A 12 2.468 9.566 13.378 1.00 0.00 H new ATOM 0 HA ASP A 12 4.685 10.184 14.910 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.116 8.771 12.237 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.790 9.094 12.644 1.00 0.00 H new ATOM 192 N ALA A 13 4.307 12.118 12.278 1.00 0.00 N ATOM 193 CA ALA A 13 4.867 13.235 11.519 1.00 0.00 C ATOM 194 C ALA A 13 4.415 14.526 12.115 1.00 0.00 C ATOM 195 O ALA A 13 5.134 15.517 12.047 1.00 0.00 O ATOM 196 CB ALA A 13 4.511 13.244 10.019 1.00 0.00 C ATOM 0 H ALA A 13 3.338 11.907 12.041 1.00 0.00 H new ATOM 0 HA ALA A 13 5.948 13.109 11.583 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.971 14.109 9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.881 12.331 9.552 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.429 13.298 9.902 1.00 0.00 H new ATOM 202 N GLU A 14 3.226 14.518 12.776 1.00 0.00 N ATOM 203 CA GLU A 14 2.588 15.610 13.484 1.00 0.00 C ATOM 204 C GLU A 14 3.258 15.861 14.825 1.00 0.00 C ATOM 205 O GLU A 14 3.386 17.000 15.259 1.00 0.00 O ATOM 206 CB GLU A 14 1.090 15.279 13.674 1.00 0.00 C ATOM 207 CG GLU A 14 0.201 16.437 14.177 1.00 0.00 C ATOM 208 CD GLU A 14 -1.199 15.879 14.388 1.00 0.00 C ATOM 209 OE1 GLU A 14 -1.265 14.857 15.124 1.00 0.00 O ATOM 210 OE2 GLU A 14 -2.177 16.426 13.816 1.00 0.00 O ATOM 0 H GLU A 14 2.661 13.670 12.818 1.00 0.00 H new ATOM 0 HA GLU A 14 2.688 16.523 12.896 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.692 14.928 12.722 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.007 14.451 14.378 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.595 16.847 15.107 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.184 17.251 13.452 1.00 0.00 H new ATOM 217 N GLN A 15 3.784 14.778 15.475 1.00 0.00 N ATOM 218 CA GLN A 15 4.608 14.819 16.680 1.00 0.00 C ATOM 219 C GLN A 15 6.049 15.148 16.354 1.00 0.00 C ATOM 220 O GLN A 15 6.698 15.895 17.093 1.00 0.00 O ATOM 221 CB GLN A 15 4.537 13.505 17.509 1.00 0.00 C ATOM 222 CG GLN A 15 4.910 13.632 19.008 1.00 0.00 C ATOM 223 CD GLN A 15 6.341 13.179 19.326 1.00 0.00 C ATOM 224 OE1 GLN A 15 6.542 12.017 19.680 1.00 0.00 O ATOM 225 NE2 GLN A 15 7.327 14.105 19.265 1.00 0.00 N ATOM 0 H GLN A 15 3.627 13.826 15.144 1.00 0.00 H new ATOM 0 HA GLN A 15 4.192 15.616 17.297 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.525 13.107 17.438 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.200 12.772 17.050 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.790 14.670 19.317 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.211 13.040 19.599 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.115 15.057 18.966 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.282 13.851 19.518 1.00 0.00 H new ATOM 234 N ALA A 16 6.564 14.647 15.188 1.00 0.00 N ATOM 235 CA ALA A 16 7.940 14.864 14.729 1.00 0.00 C ATOM 236 C ALA A 16 8.158 16.253 14.153 1.00 0.00 C ATOM 237 O ALA A 16 9.227 16.844 14.286 1.00 0.00 O ATOM 238 CB ALA A 16 8.409 13.829 13.683 1.00 0.00 C ATOM 0 H ALA A 16 6.014 14.077 14.546 1.00 0.00 H new ATOM 0 HA ALA A 16 8.537 14.747 15.633 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.435 14.049 13.388 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.362 12.829 14.114 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.761 13.877 12.808 1.00 0.00 H new ATOM 244 N ALA A 17 7.077 16.859 13.583 1.00 0.00 N ATOM 245 CA ALA A 17 6.959 18.263 13.199 1.00 0.00 C ATOM 246 C ALA A 17 6.898 19.224 14.372 1.00 0.00 C ATOM 247 O ALA A 17 7.209 20.401 14.227 1.00 0.00 O ATOM 248 CB ALA A 17 5.683 18.509 12.343 1.00 0.00 C ATOM 0 H ALA A 17 6.227 16.336 13.375 1.00 0.00 H new ATOM 0 HA ALA A 17 7.869 18.462 12.632 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.624 19.563 12.073 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.730 17.905 11.437 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.800 18.232 12.918 1.00 0.00 H new ATOM 254 N LYS A 18 6.521 18.747 15.588 1.00 0.00 N ATOM 255 CA LYS A 18 6.244 19.545 16.770 1.00 0.00 C ATOM 256 C LYS A 18 7.512 19.743 17.586 1.00 0.00 C ATOM 257 O LYS A 18 7.613 20.636 18.414 1.00 0.00 O ATOM 258 CB LYS A 18 5.132 18.891 17.651 1.00 0.00 C ATOM 259 CG LYS A 18 4.271 19.874 18.461 1.00 0.00 C ATOM 260 CD LYS A 18 3.581 19.253 19.692 1.00 0.00 C ATOM 261 CE LYS A 18 2.754 20.288 20.501 1.00 0.00 C ATOM 262 NZ LYS A 18 2.369 19.791 21.863 1.00 0.00 N ATOM 0 H LYS A 18 6.402 17.748 15.758 1.00 0.00 H new ATOM 0 HA LYS A 18 5.881 20.517 16.437 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.477 18.307 17.005 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.603 18.192 18.342 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.899 20.701 18.791 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.508 20.295 17.806 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.926 18.445 19.367 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.336 18.810 20.341 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.332 21.206 20.605 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.852 20.541 19.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.819 20.523 22.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.793 18.930 21.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.227 19.575 22.409 1.00 0.00 H new ATOM 276 N ASP A 19 8.553 18.912 17.347 1.00 0.00 N ATOM 277 CA ASP A 19 9.860 18.927 18.011 1.00 0.00 C ATOM 278 C ASP A 19 10.787 19.985 17.403 1.00 0.00 C ATOM 279 O ASP A 19 11.825 20.323 17.959 1.00 0.00 O ATOM 280 CB ASP A 19 10.511 17.491 17.994 1.00 0.00 C ATOM 281 CG ASP A 19 11.679 17.281 18.973 1.00 0.00 C ATOM 282 OD1 ASP A 19 11.510 17.681 20.156 1.00 0.00 O ATOM 283 OD2 ASP A 19 12.712 16.685 18.557 1.00 0.00 O ATOM 0 H ASP A 19 8.491 18.175 16.645 1.00 0.00 H new ATOM 0 HA ASP A 19 9.707 19.206 19.053 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.736 16.757 18.217 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.865 17.284 16.984 1.00 0.00 H new ATOM 288 N ALA A 20 10.402 20.595 16.245 1.00 0.00 N ATOM 289 CA ALA A 20 11.211 21.516 15.448 1.00 0.00 C ATOM 290 C ALA A 20 11.058 22.956 15.901 1.00 0.00 C ATOM 291 O ALA A 20 11.960 23.782 15.737 1.00 0.00 O ATOM 292 CB ALA A 20 10.825 21.426 13.945 1.00 0.00 C ATOM 0 H ALA A 20 9.479 20.441 15.840 1.00 0.00 H new ATOM 0 HA ALA A 20 12.249 21.215 15.590 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.439 22.119 13.370 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.992 20.410 13.587 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.773 21.685 13.823 1.00 0.00 H new ATOM 298 N GLU A 21 9.872 23.273 16.485 1.00 0.00 N ATOM 299 CA GLU A 21 9.496 24.545 17.079 1.00 0.00 C ATOM 300 C GLU A 21 9.829 24.575 18.539 1.00 0.00 C ATOM 301 O GLU A 21 10.206 25.607 19.095 1.00 0.00 O ATOM 302 CB GLU A 21 7.971 24.804 16.901 1.00 0.00 C ATOM 303 CG GLU A 21 7.024 23.808 17.641 1.00 0.00 C ATOM 304 CD GLU A 21 5.583 23.985 17.254 1.00 0.00 C ATOM 305 OE1 GLU A 21 5.379 24.532 16.148 1.00 0.00 O ATOM 306 OE2 GLU A 21 4.674 23.565 18.029 1.00 0.00 O ATOM 0 H GLU A 21 9.117 22.590 16.548 1.00 0.00 H new ATOM 0 HA GLU A 21 10.060 25.325 16.568 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.750 25.813 17.248 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.738 24.775 15.837 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.333 22.786 17.420 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.127 23.946 18.717 1.00 0.00 H new ATOM 313 N ASN A 22 9.674 23.375 19.176 1.00 0.00 N ATOM 314 CA ASN A 22 9.661 23.177 20.616 1.00 0.00 C ATOM 315 C ASN A 22 11.051 22.994 21.107 1.00 0.00 C ATOM 316 O ASN A 22 11.320 23.264 22.269 1.00 0.00 O ATOM 317 CB ASN A 22 8.779 22.007 21.134 1.00 0.00 C ATOM 318 CG ASN A 22 7.323 22.474 21.189 1.00 0.00 C ATOM 319 OD1 ASN A 22 6.972 23.525 21.722 1.00 0.00 O ATOM 320 ND2 ASN A 22 6.419 21.696 20.565 1.00 0.00 N ATOM 0 H ASN A 22 9.552 22.503 18.661 1.00 0.00 H new ATOM 0 HA ASN A 22 9.200 24.081 21.015 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.874 21.143 20.476 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.112 21.692 22.123 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.439 21.978 20.533 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.714 20.825 20.124 1.00 0.00 H new ATOM 327 N ALA A 23 12.002 22.670 20.178 1.00 0.00 N ATOM 328 CA ALA A 23 13.442 22.537 20.401 1.00 0.00 C ATOM 329 C ALA A 23 14.131 23.782 20.934 1.00 0.00 C ATOM 330 O ALA A 23 15.003 23.682 21.793 1.00 0.00 O ATOM 331 CB ALA A 23 14.208 22.079 19.128 1.00 0.00 C ATOM 0 H ALA A 23 11.750 22.489 19.206 1.00 0.00 H new ATOM 0 HA ALA A 23 13.489 21.770 21.174 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.271 21.998 19.353 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.830 21.109 18.805 1.00 0.00 H new ATOM 0 HB3 ALA A 23 14.060 22.809 18.332 1.00 0.00 H new ATOM 337 N SER A 24 13.719 25.005 20.480 1.00 0.00 N ATOM 338 CA SER A 24 14.151 26.271 21.102 1.00 0.00 C ATOM 339 C SER A 24 13.220 26.747 22.202 1.00 0.00 C ATOM 340 O SER A 24 13.506 27.771 22.824 1.00 0.00 O ATOM 341 CB SER A 24 14.318 27.412 20.041 1.00 0.00 C ATOM 342 OG SER A 24 14.791 28.669 20.551 1.00 0.00 O ATOM 0 H SER A 24 13.090 25.127 19.687 1.00 0.00 H new ATOM 0 HA SER A 24 15.118 26.049 21.554 1.00 0.00 H new ATOM 0 HB2 SER A 24 15.009 27.069 19.271 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.356 27.576 19.556 1.00 0.00 H new ATOM 0 HG SER A 24 14.481 28.785 21.473 1.00 0.00 H new ATOM 348 N LYS A 25 12.064 26.065 22.407 1.00 0.00 N ATOM 349 CA LYS A 25 11.127 26.271 23.509 1.00 0.00 C ATOM 350 C LYS A 25 11.391 25.365 24.691 1.00 0.00 C ATOM 351 O LYS A 25 10.691 25.428 25.690 1.00 0.00 O ATOM 352 CB LYS A 25 9.646 26.186 23.045 1.00 0.00 C ATOM 353 CG LYS A 25 8.962 27.541 22.858 1.00 0.00 C ATOM 354 CD LYS A 25 9.756 28.543 21.995 1.00 0.00 C ATOM 355 CE LYS A 25 9.001 29.839 21.692 1.00 0.00 C ATOM 356 NZ LYS A 25 8.553 30.491 22.938 1.00 0.00 N ATOM 0 H LYS A 25 11.759 25.327 21.773 1.00 0.00 H new ATOM 0 HA LYS A 25 11.303 27.289 23.857 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.604 25.639 22.103 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.082 25.606 23.776 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.985 27.381 22.401 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.787 27.984 23.838 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.687 28.788 22.506 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.025 28.063 21.054 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.645 30.518 21.133 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.140 29.624 21.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.470 31.516 22.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.628 30.107 23.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.245 30.310 23.693 1.00 0.00 H new ATOM 370 N GLU A 26 12.420 24.484 24.644 1.00 0.00 N ATOM 371 CA GLU A 26 12.579 23.339 25.533 1.00 0.00 C ATOM 372 C GLU A 26 13.218 23.719 26.864 1.00 0.00 C ATOM 373 O GLU A 26 13.284 22.945 27.814 1.00 0.00 O ATOM 374 CB GLU A 26 13.321 22.217 24.741 1.00 0.00 C ATOM 375 CG GLU A 26 13.253 20.766 25.263 1.00 0.00 C ATOM 376 CD GLU A 26 11.831 20.195 25.280 1.00 0.00 C ATOM 377 OE1 GLU A 26 10.867 20.849 24.798 1.00 0.00 O ATOM 378 OE2 GLU A 26 11.725 19.066 25.816 1.00 0.00 O ATOM 0 H GLU A 26 13.175 24.565 23.963 1.00 0.00 H new ATOM 0 HA GLU A 26 11.607 22.948 25.835 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.932 22.220 23.723 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.373 22.497 24.681 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.884 20.133 24.639 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.664 20.730 26.272 1.00 0.00 H new ATOM 385 N ALA A 27 13.664 25.007 26.964 1.00 0.00 N ATOM 386 CA ALA A 27 13.869 25.719 28.227 1.00 0.00 C ATOM 387 C ALA A 27 12.628 26.496 28.684 1.00 0.00 C ATOM 388 O ALA A 27 12.450 26.804 29.865 1.00 0.00 O ATOM 389 CB ALA A 27 15.057 26.715 28.128 1.00 0.00 C ATOM 0 H ALA A 27 13.890 25.573 26.146 1.00 0.00 H new ATOM 0 HA ALA A 27 14.085 24.944 28.963 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.183 27.227 29.082 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.969 26.170 27.886 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.854 27.447 27.347 1.00 0.00 H new ATOM 395 N GLU A 28 11.741 26.872 27.728 1.00 0.00 N ATOM 396 CA GLU A 28 10.668 27.854 27.843 1.00 0.00 C ATOM 397 C GLU A 28 9.356 27.241 28.282 1.00 0.00 C ATOM 398 O GLU A 28 8.522 27.910 28.889 1.00 0.00 O ATOM 399 CB GLU A 28 10.481 28.650 26.535 1.00 0.00 C ATOM 400 CG GLU A 28 9.640 29.933 26.693 1.00 0.00 C ATOM 401 CD GLU A 28 10.226 31.025 25.825 1.00 0.00 C ATOM 402 OE1 GLU A 28 10.407 30.730 24.616 1.00 0.00 O ATOM 403 OE2 GLU A 28 10.474 32.153 26.311 1.00 0.00 O ATOM 0 H GLU A 28 11.771 26.459 26.796 1.00 0.00 H new ATOM 0 HA GLU A 28 10.979 28.545 28.626 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.462 28.918 26.142 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.006 28.006 25.795 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.606 29.741 26.407 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.629 30.248 27.736 1.00 0.00 H new ATOM 410 N GLU A 29 9.206 25.904 28.055 1.00 0.00 N ATOM 411 CA GLU A 29 8.162 25.020 28.581 1.00 0.00 C ATOM 412 C GLU A 29 8.384 24.762 30.071 1.00 0.00 C ATOM 413 O GLU A 29 7.454 24.519 30.841 1.00 0.00 O ATOM 414 CB GLU A 29 8.140 23.631 27.845 1.00 0.00 C ATOM 415 CG GLU A 29 7.939 23.676 26.313 1.00 0.00 C ATOM 416 CD GLU A 29 6.511 24.023 25.936 1.00 0.00 C ATOM 417 OE1 GLU A 29 5.640 23.113 25.892 1.00 0.00 O ATOM 418 OE2 GLU A 29 6.269 25.228 25.660 1.00 0.00 O ATOM 0 H GLU A 29 9.861 25.398 27.460 1.00 0.00 H new ATOM 0 HA GLU A 29 7.211 25.526 28.414 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.079 23.118 28.053 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.343 23.026 28.278 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.617 24.412 25.880 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.202 22.709 25.884 1.00 0.00 H new ATOM 425 N ALA A 30 9.682 24.897 30.486 1.00 0.00 N ATOM 426 CA ALA A 30 10.194 24.651 31.826 1.00 0.00 C ATOM 427 C ALA A 30 10.067 25.888 32.685 1.00 0.00 C ATOM 428 O ALA A 30 9.695 25.796 33.852 1.00 0.00 O ATOM 429 CB ALA A 30 11.667 24.177 31.851 1.00 0.00 C ATOM 0 H ALA A 30 10.416 25.196 29.845 1.00 0.00 H new ATOM 0 HA ALA A 30 9.582 23.842 32.225 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.979 24.014 32.882 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.759 23.246 31.292 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.302 24.937 31.396 1.00 0.00 H new ATOM 435 N ALA A 31 10.253 27.109 32.097 1.00 0.00 N ATOM 436 CA ALA A 31 9.970 28.386 32.767 1.00 0.00 C ATOM 437 C ALA A 31 8.533 28.828 32.533 1.00 0.00 C ATOM 438 O ALA A 31 8.202 30.011 32.473 1.00 0.00 O ATOM 439 CB ALA A 31 10.934 29.526 32.354 1.00 0.00 C ATOM 0 H ALA A 31 10.604 27.219 31.145 1.00 0.00 H new ATOM 0 HA ALA A 31 10.127 28.195 33.829 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.667 30.439 32.887 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.957 29.246 32.604 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.857 29.697 31.280 1.00 0.00 H new ATOM 445 N LYS A 32 7.638 27.823 32.420 1.00 0.00 N ATOM 446 CA LYS A 32 6.215 27.951 32.238 1.00 0.00 C ATOM 447 C LYS A 32 5.529 27.203 33.362 1.00 0.00 C ATOM 448 O LYS A 32 5.145 27.789 34.377 1.00 0.00 O ATOM 449 CB LYS A 32 5.805 27.470 30.813 1.00 0.00 C ATOM 450 CG LYS A 32 5.148 28.538 29.929 1.00 0.00 C ATOM 451 CD LYS A 32 3.695 28.846 30.281 1.00 0.00 C ATOM 452 CE LYS A 32 2.815 27.599 30.160 1.00 0.00 C ATOM 453 NZ LYS A 32 1.399 27.976 30.100 1.00 0.00 N ATOM 0 H LYS A 32 7.931 26.847 32.459 1.00 0.00 H new ATOM 0 HA LYS A 32 5.897 28.992 32.291 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.693 27.095 30.304 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.117 26.631 30.914 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.729 29.458 30.000 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.195 28.211 28.890 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.640 29.235 31.298 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.316 29.626 29.620 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.087 27.040 29.265 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.987 26.941 31.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.809 27.122 30.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.177 28.618 30.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.205 28.456 29.198 1.00 0.00 H new ATOM 467 N GLU A 33 5.361 25.862 33.231 1.00 0.00 N ATOM 468 CA GLU A 33 4.376 25.095 33.987 1.00 0.00 C ATOM 469 C GLU A 33 4.946 24.456 35.228 1.00 0.00 C ATOM 470 O GLU A 33 4.221 23.971 36.084 1.00 0.00 O ATOM 471 CB GLU A 33 3.667 24.027 33.121 1.00 0.00 C ATOM 472 CG GLU A 33 4.583 23.164 32.225 1.00 0.00 C ATOM 473 CD GLU A 33 3.808 21.910 31.835 1.00 0.00 C ATOM 474 OE1 GLU A 33 2.593 22.028 31.514 1.00 0.00 O ATOM 475 OE2 GLU A 33 4.427 20.816 31.912 1.00 0.00 O ATOM 0 H GLU A 33 5.915 25.293 32.591 1.00 0.00 H new ATOM 0 HA GLU A 33 3.635 25.829 34.304 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.109 23.364 33.782 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.938 24.529 32.485 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.882 23.720 31.336 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.497 22.898 32.757 1.00 0.00 H new ATOM 482 N ALA A 34 6.292 24.503 35.365 1.00 0.00 N ATOM 483 CA ALA A 34 7.035 24.123 36.563 1.00 0.00 C ATOM 484 C ALA A 34 7.251 25.305 37.490 1.00 0.00 C ATOM 485 O ALA A 34 7.838 25.164 38.564 1.00 0.00 O ATOM 486 CB ALA A 34 8.405 23.490 36.208 1.00 0.00 C ATOM 0 H ALA A 34 6.901 24.820 34.610 1.00 0.00 H new ATOM 0 HA ALA A 34 6.426 23.381 37.079 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.929 23.220 37.125 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.247 22.597 35.603 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.003 24.208 35.646 1.00 0.00 H new ATOM 492 N VAL A 35 6.808 26.512 37.049 1.00 0.00 N ATOM 493 CA VAL A 35 7.096 27.778 37.706 1.00 0.00 C ATOM 494 C VAL A 35 5.799 28.430 38.115 1.00 0.00 C ATOM 495 O VAL A 35 5.559 28.648 39.300 1.00 0.00 O ATOM 496 CB VAL A 35 7.945 28.727 36.844 1.00 0.00 C ATOM 497 CG1 VAL A 35 8.228 30.092 37.537 1.00 0.00 C ATOM 498 CG2 VAL A 35 9.281 28.022 36.542 1.00 0.00 C ATOM 0 H VAL A 35 6.233 26.615 36.213 1.00 0.00 H new ATOM 0 HA VAL A 35 7.699 27.564 38.589 1.00 0.00 H new ATOM 0 HB VAL A 35 7.387 28.949 35.935 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.831 30.716 36.878 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.284 30.595 37.750 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.767 29.922 38.469 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.906 28.673 35.930 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.795 27.800 37.477 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.089 27.094 36.004 1.00 0.00 H new ATOM 508 N ASN A 36 4.956 28.825 37.127 1.00 0.00 N ATOM 509 CA ASN A 36 3.878 29.787 37.335 1.00 0.00 C ATOM 510 C ASN A 36 2.536 29.119 37.202 1.00 0.00 C ATOM 511 O ASN A 36 1.602 29.494 37.906 1.00 0.00 O ATOM 512 CB ASN A 36 3.989 31.058 36.430 1.00 0.00 C ATOM 513 CG ASN A 36 4.201 30.680 34.963 1.00 0.00 C ATOM 514 OD1 ASN A 36 3.246 30.333 34.273 1.00 0.00 O ATOM 515 ND2 ASN A 36 5.458 30.672 34.473 1.00 0.00 N ATOM 0 H ASN A 36 5.016 28.478 36.170 1.00 0.00 H new ATOM 0 HA ASN A 36 3.982 30.153 38.356 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.083 31.656 36.526 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.818 31.679 36.771 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.629 30.374 33.513 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.237 30.964 35.063 1.00 0.00 H new ATOM 522 N LEU A 37 2.407 28.124 36.272 1.00 0.00 N ATOM 523 CA LEU A 37 1.278 27.199 36.142 1.00 0.00 C ATOM 524 C LEU A 37 0.048 27.825 35.510 1.00 0.00 C ATOM 525 O LEU A 37 -1.087 27.391 35.715 1.00 0.00 O ATOM 526 CB LEU A 37 0.925 26.437 37.466 1.00 0.00 C ATOM 527 CG LEU A 37 1.152 24.918 37.390 1.00 0.00 C ATOM 528 CD1 LEU A 37 2.088 24.472 38.521 1.00 0.00 C ATOM 529 CD2 LEU A 37 -0.179 24.156 37.367 1.00 0.00 C ATOM 0 H LEU A 37 3.128 27.953 35.571 1.00 0.00 H new ATOM 0 HA LEU A 37 1.637 26.444 35.442 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.526 26.844 38.279 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.119 26.626 37.715 1.00 0.00 H new ATOM 0 HG LEU A 37 1.646 24.674 36.450 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.244 23.395 38.461 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.046 24.983 38.424 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.640 24.720 39.483 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.016 23.085 37.313 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.741 24.377 38.275 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.759 24.463 36.497 1.00 0.00 H new ATOM 541 N LYS A 38 0.270 28.922 34.763 1.00 0.00 N ATOM 542 CA LYS A 38 -0.763 29.717 34.163 1.00 0.00 C ATOM 543 C LYS A 38 -0.188 30.088 32.775 1.00 0.00 C ATOM 544 O LYS A 38 0.317 29.161 32.077 1.00 0.00 O ATOM 545 CB LYS A 38 -1.062 30.959 35.047 1.00 0.00 C ATOM 546 CG LYS A 38 -2.416 31.617 34.782 1.00 0.00 C ATOM 547 CD LYS A 38 -2.572 32.993 35.441 1.00 0.00 C ATOM 548 CE LYS A 38 -2.445 32.989 36.975 1.00 0.00 C ATOM 549 NZ LYS A 38 -2.676 34.349 37.526 1.00 0.00 N ATOM 550 OXT LYS A 38 -0.260 31.281 32.390 1.00 0.00 O ATOM 0 H LYS A 38 1.208 29.272 34.568 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.718 29.201 34.067 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.016 30.663 36.095 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.277 31.698 34.890 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.555 31.721 33.706 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.207 30.959 35.143 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.819 33.665 35.029 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.546 33.402 35.172 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.165 32.291 37.402 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.453 32.639 37.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.586 34.324 38.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.973 35.007 37.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.631 34.670 37.270 1.00 0.00 H new TER 564 LYS A 38