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 Single : A 1 GLU N :NH3+ 128:sc= 0.051 (180deg=-0.471) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 10 SER OG : rot 19:sc= 1.23 USER MOD Single : A 11 GLN : amide:sc= -0.0563 X(o=-0.056,f=-0.33) USER MOD Single : A 15 GLN : amide:sc= 0.494 K(o=0.49,f=-0.054) USER MOD Single : A 18 LYS NZ :NH3+ -145:sc= 1.12 (180deg=0.414) USER MOD Single : A 22 ASN : amide:sc= 0.534 K(o=0.53,f=-0.094) USER MOD Single : A 24 SER OG : rot -49:sc= 1.22 USER MOD Single : A 25 LYS NZ :NH3+ -100:sc= 1.03 (180deg=-1.55!) USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= -1.04! (180deg=-2.45!) USER MOD Single : A 36 ASN : amide:sc= -0.0626 K(o=-0.063,f=-2.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -0.064 12.067 -5.271 1.00 0.00 N ATOM 2 CA GLU A 1 1.233 11.670 -5.846 1.00 0.00 C ATOM 3 C GLU A 1 0.869 10.417 -6.588 1.00 0.00 C ATOM 4 O GLU A 1 -0.315 10.240 -6.889 1.00 0.00 O ATOM 5 CB GLU A 1 2.299 11.520 -4.720 1.00 0.00 C ATOM 6 CG GLU A 1 1.917 10.595 -3.532 1.00 0.00 C ATOM 7 CD GLU A 1 2.671 9.288 -3.661 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.907 9.288 -3.425 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.031 8.277 -4.050 1.00 0.00 O ATOM 0 H1 GLU A 1 0.043 12.223 -4.248 1.00 0.00 H new ATOM 0 H2 GLU A 1 -0.390 12.945 -5.723 1.00 0.00 H new ATOM 0 H3 GLU A 1 -0.762 11.313 -5.435 1.00 0.00 H new ATOM 0 HA GLU A 1 1.708 12.387 -6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.218 11.141 -5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.521 12.511 -4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.160 11.078 -2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.843 10.411 -3.529 1.00 0.00 H new ATOM 18 N ALA A 2 1.846 9.540 -6.900 1.00 0.00 N ATOM 19 CA ALA A 2 1.594 8.291 -7.578 1.00 0.00 C ATOM 20 C ALA A 2 2.854 7.497 -7.413 1.00 0.00 C ATOM 21 O ALA A 2 3.526 7.183 -8.390 1.00 0.00 O ATOM 22 CB ALA A 2 1.267 8.445 -9.094 1.00 0.00 C ATOM 0 H ALA A 2 2.829 9.697 -6.680 1.00 0.00 H new ATOM 0 HA ALA A 2 0.712 7.816 -7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.091 7.462 -9.530 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.375 9.060 -9.213 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.106 8.921 -9.601 1.00 0.00 H new ATOM 28 N TYR A 3 3.218 7.170 -6.154 1.00 0.00 N ATOM 29 CA TYR A 3 4.350 6.322 -5.844 1.00 0.00 C ATOM 30 C TYR A 3 3.842 5.358 -4.795 1.00 0.00 C ATOM 31 O TYR A 3 2.677 4.962 -4.810 1.00 0.00 O ATOM 32 CB TYR A 3 5.606 7.144 -5.372 1.00 0.00 C ATOM 33 CG TYR A 3 6.915 6.398 -5.544 1.00 0.00 C ATOM 34 CD1 TYR A 3 7.269 5.832 -6.785 1.00 0.00 C ATOM 35 CD2 TYR A 3 7.811 6.261 -4.466 1.00 0.00 C ATOM 36 CE1 TYR A 3 8.475 5.132 -6.943 1.00 0.00 C ATOM 37 CE2 TYR A 3 9.014 5.549 -4.610 1.00 0.00 C ATOM 38 CZ TYR A 3 9.349 4.983 -5.854 1.00 0.00 C ATOM 39 OH TYR A 3 10.553 4.260 -6.020 1.00 0.00 O ATOM 0 H TYR A 3 2.718 7.499 -5.328 1.00 0.00 H new ATOM 0 HA TYR A 3 4.711 5.790 -6.724 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.652 8.077 -5.934 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.483 7.410 -4.322 1.00 0.00 H new ATOM 0 HD1 TYR A 3 6.602 5.939 -7.628 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.570 6.710 -3.514 1.00 0.00 H new ATOM 0 HE1 TYR A 3 8.731 4.708 -7.903 1.00 0.00 H new ATOM 0 HE2 TYR A 3 9.680 5.436 -3.767 1.00 0.00 H new ATOM 0 HH TYR A 3 11.047 4.249 -5.174 1.00 0.00 H new ATOM 49 N LYS A 4 4.724 4.939 -3.863 1.00 0.00 N ATOM 50 CA LYS A 4 4.465 3.933 -2.870 1.00 0.00 C ATOM 51 C LYS A 4 5.487 4.344 -1.845 1.00 0.00 C ATOM 52 O LYS A 4 6.669 4.415 -2.167 1.00 0.00 O ATOM 53 CB LYS A 4 4.731 2.508 -3.465 1.00 0.00 C ATOM 54 CG LYS A 4 3.887 1.349 -2.904 1.00 0.00 C ATOM 55 CD LYS A 4 4.365 0.706 -1.594 1.00 0.00 C ATOM 56 CE LYS A 4 3.409 -0.413 -1.134 1.00 0.00 C ATOM 57 NZ LYS A 4 3.905 -1.115 0.075 1.00 0.00 N ATOM 0 H LYS A 4 5.667 5.322 -3.799 1.00 0.00 H new ATOM 0 HA LYS A 4 3.447 3.870 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.569 2.555 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.783 2.267 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.871 1.713 -2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.835 0.570 -3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.366 0.297 -1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.436 1.468 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.427 0.013 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.280 -1.133 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.230 -1.858 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.830 -1.545 -0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.004 -0.435 0.856 1.00 0.00 H new ATOM 71 N LYS A 5 5.070 4.709 -0.608 1.00 0.00 N ATOM 72 CA LYS A 5 5.930 5.309 0.401 1.00 0.00 C ATOM 73 C LYS A 5 5.705 4.501 1.658 1.00 0.00 C ATOM 74 O LYS A 5 4.858 3.603 1.688 1.00 0.00 O ATOM 75 CB LYS A 5 5.626 6.826 0.681 1.00 0.00 C ATOM 76 CG LYS A 5 6.057 7.829 -0.419 1.00 0.00 C ATOM 77 CD LYS A 5 7.512 8.350 -0.348 1.00 0.00 C ATOM 78 CE LYS A 5 7.758 9.496 -1.358 1.00 0.00 C ATOM 79 NZ LYS A 5 9.141 10.078 -1.303 1.00 0.00 N ATOM 0 H LYS A 5 4.107 4.586 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 5 6.962 5.289 0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.554 6.936 0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.119 7.107 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.912 7.354 -1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.385 8.687 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.724 8.703 0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.202 7.531 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.572 9.124 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.034 10.290 -1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.226 10.838 -2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.317 10.465 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.839 9.335 -1.509 1.00 0.00 H new ATOM 93 N ALA A 6 6.534 4.789 2.706 1.00 0.00 N ATOM 94 CA ALA A 6 6.553 4.176 4.026 1.00 0.00 C ATOM 95 C ALA A 6 5.681 4.924 5.021 1.00 0.00 C ATOM 96 O ALA A 6 4.533 5.285 4.776 1.00 0.00 O ATOM 97 CB ALA A 6 8.012 4.081 4.560 1.00 0.00 C ATOM 0 H ALA A 6 7.250 5.511 2.621 1.00 0.00 H new ATOM 0 HA ALA A 6 6.140 3.173 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.009 3.620 5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.610 3.475 3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.441 5.081 4.627 1.00 0.00 H new ATOM 103 N LYS A 7 6.274 5.210 6.207 1.00 0.00 N ATOM 104 CA LYS A 7 5.727 6.030 7.261 1.00 0.00 C ATOM 105 C LYS A 7 6.384 7.394 7.159 1.00 0.00 C ATOM 106 O LYS A 7 7.429 7.680 7.739 1.00 0.00 O ATOM 107 CB LYS A 7 5.807 5.352 8.657 1.00 0.00 C ATOM 108 CG LYS A 7 7.186 4.927 9.195 1.00 0.00 C ATOM 109 CD LYS A 7 7.062 3.835 10.274 1.00 0.00 C ATOM 110 CE LYS A 7 7.415 2.419 9.790 1.00 0.00 C ATOM 111 NZ LYS A 7 8.880 2.273 9.594 1.00 0.00 N ATOM 0 H LYS A 7 7.196 4.844 6.444 1.00 0.00 H new ATOM 0 HA LYS A 7 4.652 6.161 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.366 6.036 9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.175 4.464 8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.800 4.559 8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.698 5.795 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.712 4.092 11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.040 3.832 10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.067 1.685 10.517 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.897 2.211 8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.092 1.309 9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.205 2.959 8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.370 2.449 10.494 1.00 0.00 H new ATOM 125 N GLN A 8 5.726 8.251 6.341 1.00 0.00 N ATOM 126 CA GLN A 8 5.989 9.662 6.160 1.00 0.00 C ATOM 127 C GLN A 8 4.696 10.302 6.602 1.00 0.00 C ATOM 128 O GLN A 8 4.565 10.679 7.760 1.00 0.00 O ATOM 129 CB GLN A 8 6.362 10.091 4.688 1.00 0.00 C ATOM 130 CG GLN A 8 7.863 10.015 4.311 1.00 0.00 C ATOM 131 CD GLN A 8 8.427 8.594 4.355 1.00 0.00 C ATOM 132 OE1 GLN A 8 7.903 7.671 3.732 1.00 0.00 O ATOM 133 NE2 GLN A 8 9.551 8.406 5.086 1.00 0.00 N ATOM 0 H GLN A 8 4.950 7.934 5.761 1.00 0.00 H new ATOM 0 HA GLN A 8 6.869 9.968 6.725 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.803 9.461 3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.022 11.115 4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.000 10.422 3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.434 10.646 4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.966 9.187 5.593 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.983 7.483 5.129 1.00 0.00 H new ATOM 142 N ALA A 9 3.675 10.431 5.707 1.00 0.00 N ATOM 143 CA ALA A 9 2.533 11.336 5.868 1.00 0.00 C ATOM 144 C ALA A 9 1.411 10.737 6.700 1.00 0.00 C ATOM 145 O ALA A 9 0.478 10.122 6.183 1.00 0.00 O ATOM 146 CB ALA A 9 1.963 11.764 4.489 1.00 0.00 C ATOM 0 H ALA A 9 3.636 9.892 4.842 1.00 0.00 H new ATOM 0 HA ALA A 9 2.919 12.205 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.117 12.435 4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.737 12.277 3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.634 10.881 3.941 1.00 0.00 H new ATOM 152 N SER A 10 1.525 10.861 8.031 1.00 0.00 N ATOM 153 CA SER A 10 0.764 10.150 9.018 1.00 0.00 C ATOM 154 C SER A 10 1.464 10.688 10.236 1.00 0.00 C ATOM 155 O SER A 10 1.950 11.821 10.184 1.00 0.00 O ATOM 156 CB SER A 10 0.845 8.583 8.912 1.00 0.00 C ATOM 157 OG SER A 10 0.045 8.079 7.839 1.00 0.00 O ATOM 0 H SER A 10 2.196 11.504 8.451 1.00 0.00 H new ATOM 0 HA SER A 10 -0.315 10.298 8.962 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.882 8.282 8.764 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.515 8.138 9.851 1.00 0.00 H new ATOM 0 HG SER A 10 -0.145 8.802 7.205 1.00 0.00 H new ATOM 163 N GLN A 11 1.604 9.898 11.342 1.00 0.00 N ATOM 164 CA GLN A 11 2.013 10.321 12.680 1.00 0.00 C ATOM 165 C GLN A 11 3.478 10.697 12.789 1.00 0.00 C ATOM 166 O GLN A 11 3.842 11.571 13.569 1.00 0.00 O ATOM 167 CB GLN A 11 1.578 9.300 13.777 1.00 0.00 C ATOM 168 CG GLN A 11 2.036 7.829 13.595 1.00 0.00 C ATOM 169 CD GLN A 11 1.156 6.939 14.490 1.00 0.00 C ATOM 170 OE1 GLN A 11 -0.057 6.981 14.318 1.00 0.00 O ATOM 171 NE2 GLN A 11 1.714 6.136 15.433 1.00 0.00 N ATOM 0 H GLN A 11 1.420 8.896 11.301 1.00 0.00 H new ATOM 0 HA GLN A 11 1.470 11.248 12.867 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.953 9.655 14.737 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.490 9.311 13.836 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.944 7.528 12.551 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.086 7.721 13.866 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.727 6.120 15.555 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.120 5.549 16.019 1.00 0.00 H new ATOM 180 N ASP A 12 4.335 10.123 11.911 1.00 0.00 N ATOM 181 CA ASP A 12 5.751 10.415 11.737 1.00 0.00 C ATOM 182 C ASP A 12 6.012 11.713 10.989 1.00 0.00 C ATOM 183 O ASP A 12 7.086 12.292 11.110 1.00 0.00 O ATOM 184 CB ASP A 12 6.493 9.297 10.947 1.00 0.00 C ATOM 185 CG ASP A 12 6.309 7.925 11.581 1.00 0.00 C ATOM 186 OD1 ASP A 12 5.140 7.443 11.586 1.00 0.00 O ATOM 187 OD2 ASP A 12 7.321 7.299 11.987 1.00 0.00 O ATOM 0 H ASP A 12 4.019 9.396 11.269 1.00 0.00 H new ATOM 0 HA ASP A 12 6.127 10.490 12.757 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.125 9.274 9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.556 9.533 10.899 1.00 0.00 H new ATOM 192 N ALA A 13 5.005 12.261 10.254 1.00 0.00 N ATOM 193 CA ALA A 13 5.092 13.599 9.669 1.00 0.00 C ATOM 194 C ALA A 13 4.443 14.587 10.602 1.00 0.00 C ATOM 195 O ALA A 13 4.837 15.749 10.663 1.00 0.00 O ATOM 196 CB ALA A 13 4.405 13.746 8.288 1.00 0.00 C ATOM 0 H ALA A 13 4.126 11.782 10.061 1.00 0.00 H new ATOM 0 HA ALA A 13 6.156 13.785 9.523 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.520 14.770 7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.866 13.060 7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.345 13.511 8.382 1.00 0.00 H new ATOM 202 N GLU A 14 3.425 14.115 11.374 1.00 0.00 N ATOM 203 CA GLU A 14 2.544 14.915 12.209 1.00 0.00 C ATOM 204 C GLU A 14 3.188 15.244 13.536 1.00 0.00 C ATOM 205 O GLU A 14 3.085 16.372 14.008 1.00 0.00 O ATOM 206 CB GLU A 14 1.152 14.246 12.461 1.00 0.00 C ATOM 207 CG GLU A 14 -0.045 15.168 12.130 1.00 0.00 C ATOM 208 CD GLU A 14 -1.259 14.760 12.956 1.00 0.00 C ATOM 209 OE1 GLU A 14 -1.141 14.943 14.199 1.00 0.00 O ATOM 210 OE2 GLU A 14 -2.281 14.287 12.401 1.00 0.00 O ATOM 0 H GLU A 14 3.203 13.120 11.419 1.00 0.00 H new ATOM 0 HA GLU A 14 2.372 15.833 11.648 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.079 13.340 11.860 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.088 13.942 13.506 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.216 16.206 12.339 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.280 15.106 11.067 1.00 0.00 H new ATOM 217 N GLN A 15 3.906 14.268 14.170 1.00 0.00 N ATOM 218 CA GLN A 15 4.579 14.416 15.457 1.00 0.00 C ATOM 219 C GLN A 15 5.921 15.112 15.319 1.00 0.00 C ATOM 220 O GLN A 15 6.337 15.854 16.210 1.00 0.00 O ATOM 221 CB GLN A 15 4.743 13.050 16.194 1.00 0.00 C ATOM 222 CG GLN A 15 4.530 13.063 17.726 1.00 0.00 C ATOM 223 CD GLN A 15 5.798 13.396 18.523 1.00 0.00 C ATOM 224 OE1 GLN A 15 6.478 12.471 18.964 1.00 0.00 O ATOM 225 NE2 GLN A 15 6.076 14.700 18.766 1.00 0.00 N ATOM 0 H GLN A 15 4.023 13.337 13.770 1.00 0.00 H new ATOM 0 HA GLN A 15 3.934 15.048 16.068 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.040 12.340 15.758 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.745 12.671 15.992 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.757 13.791 17.970 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.160 12.087 18.041 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.480 15.430 18.376 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.882 14.952 19.339 1.00 0.00 H new ATOM 234 N ALA A 16 6.600 14.981 14.140 1.00 0.00 N ATOM 235 CA ALA A 16 7.903 15.586 13.851 1.00 0.00 C ATOM 236 C ALA A 16 7.831 17.074 13.504 1.00 0.00 C ATOM 237 O ALA A 16 8.844 17.737 13.312 1.00 0.00 O ATOM 238 CB ALA A 16 8.640 14.832 12.709 1.00 0.00 C ATOM 0 H ALA A 16 6.234 14.437 13.359 1.00 0.00 H new ATOM 0 HA ALA A 16 8.465 15.495 14.781 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.603 15.308 12.521 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.799 13.794 13.002 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.036 14.865 11.802 1.00 0.00 H new ATOM 244 N ALA A 17 6.587 17.628 13.445 1.00 0.00 N ATOM 245 CA ALA A 17 6.288 19.054 13.389 1.00 0.00 C ATOM 246 C ALA A 17 6.117 19.650 14.776 1.00 0.00 C ATOM 247 O ALA A 17 6.385 20.827 15.005 1.00 0.00 O ATOM 248 CB ALA A 17 5.010 19.352 12.563 1.00 0.00 C ATOM 0 H ALA A 17 5.744 17.054 13.436 1.00 0.00 H new ATOM 0 HA ALA A 17 7.145 19.515 12.899 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.828 20.427 12.550 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.145 18.994 11.542 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.158 18.845 13.016 1.00 0.00 H new ATOM 254 N LYS A 18 5.665 18.820 15.757 1.00 0.00 N ATOM 255 CA LYS A 18 5.317 19.187 17.126 1.00 0.00 C ATOM 256 C LYS A 18 6.519 19.069 18.048 1.00 0.00 C ATOM 257 O LYS A 18 6.742 19.902 18.924 1.00 0.00 O ATOM 258 CB LYS A 18 4.144 18.321 17.673 1.00 0.00 C ATOM 259 CG LYS A 18 2.889 18.381 16.778 1.00 0.00 C ATOM 260 CD LYS A 18 1.854 17.291 17.091 1.00 0.00 C ATOM 261 CE LYS A 18 0.669 17.246 16.108 1.00 0.00 C ATOM 262 NZ LYS A 18 -0.053 15.955 16.240 1.00 0.00 N ATOM 0 H LYS A 18 5.532 17.823 15.586 1.00 0.00 H new ATOM 0 HA LYS A 18 4.992 20.227 17.102 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.473 17.286 17.761 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.886 18.659 18.676 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.420 19.358 16.891 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.193 18.292 15.735 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.352 16.321 17.088 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.470 17.449 18.099 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.011 18.074 16.307 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.029 17.368 15.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.403 15.656 15.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.594 15.232 16.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.856 16.071 16.890 1.00 0.00 H new ATOM 276 N ASP A 19 7.394 18.044 17.811 1.00 0.00 N ATOM 277 CA ASP A 19 8.634 17.774 18.576 1.00 0.00 C ATOM 278 C ASP A 19 9.772 18.675 18.140 1.00 0.00 C ATOM 279 O ASP A 19 10.822 18.782 18.768 1.00 0.00 O ATOM 280 CB ASP A 19 9.114 16.276 18.498 1.00 0.00 C ATOM 281 CG ASP A 19 9.052 15.679 19.902 1.00 0.00 C ATOM 282 OD1 ASP A 19 7.926 15.744 20.474 1.00 0.00 O ATOM 283 OD2 ASP A 19 10.083 15.179 20.421 1.00 0.00 O ATOM 0 H ASP A 19 7.244 17.370 17.060 1.00 0.00 H new ATOM 0 HA ASP A 19 8.368 17.986 19.612 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.480 15.709 17.816 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.130 16.223 18.107 1.00 0.00 H new ATOM 288 N ALA A 20 9.499 19.402 17.032 1.00 0.00 N ATOM 289 CA ALA A 20 10.314 20.424 16.423 1.00 0.00 C ATOM 290 C ALA A 20 10.105 21.776 17.087 1.00 0.00 C ATOM 291 O ALA A 20 11.055 22.550 17.153 1.00 0.00 O ATOM 292 CB ALA A 20 10.036 20.519 14.899 1.00 0.00 C ATOM 0 H ALA A 20 8.630 19.261 16.517 1.00 0.00 H new ATOM 0 HA ALA A 20 11.356 20.139 16.568 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.663 21.297 14.463 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.263 19.563 14.427 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.987 20.764 14.735 1.00 0.00 H new ATOM 298 N GLU A 21 8.873 22.086 17.611 1.00 0.00 N ATOM 299 CA GLU A 21 8.566 23.332 18.336 1.00 0.00 C ATOM 300 C GLU A 21 8.797 23.183 19.822 1.00 0.00 C ATOM 301 O GLU A 21 9.176 24.135 20.507 1.00 0.00 O ATOM 302 CB GLU A 21 7.167 23.965 18.019 1.00 0.00 C ATOM 303 CG GLU A 21 5.882 23.086 18.057 1.00 0.00 C ATOM 304 CD GLU A 21 5.129 23.097 19.397 1.00 0.00 C ATOM 305 OE1 GLU A 21 5.635 23.689 20.385 1.00 0.00 O ATOM 306 OE2 GLU A 21 4.000 22.530 19.427 1.00 0.00 O ATOM 0 H GLU A 21 8.071 21.461 17.532 1.00 0.00 H new ATOM 0 HA GLU A 21 9.280 24.058 17.947 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.018 24.786 18.720 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.229 24.404 17.023 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.204 23.425 17.273 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.156 22.058 17.819 1.00 0.00 H new ATOM 313 N ASN A 22 8.702 21.915 20.327 1.00 0.00 N ATOM 314 CA ASN A 22 8.880 21.518 21.730 1.00 0.00 C ATOM 315 C ASN A 22 10.339 21.447 22.151 1.00 0.00 C ATOM 316 O ASN A 22 10.677 21.177 23.299 1.00 0.00 O ATOM 317 CB ASN A 22 8.187 20.158 22.080 1.00 0.00 C ATOM 318 CG ASN A 22 6.717 20.438 22.379 1.00 0.00 C ATOM 319 OD1 ASN A 22 6.453 21.087 23.389 1.00 0.00 O ATOM 320 ND2 ASN A 22 5.759 19.985 21.547 1.00 0.00 N ATOM 0 H ASN A 22 8.489 21.118 19.727 1.00 0.00 H new ATOM 0 HA ASN A 22 8.391 22.314 22.291 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.280 19.459 21.249 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.669 19.696 22.941 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.777 20.178 21.746 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.015 19.449 20.718 1.00 0.00 H new ATOM 327 N ALA A 23 11.246 21.772 21.206 1.00 0.00 N ATOM 328 CA ALA A 23 12.680 21.774 21.361 1.00 0.00 C ATOM 329 C ALA A 23 13.185 23.059 21.966 1.00 0.00 C ATOM 330 O ALA A 23 14.157 23.041 22.715 1.00 0.00 O ATOM 331 CB ALA A 23 13.376 21.550 20.003 1.00 0.00 C ATOM 0 H ALA A 23 10.960 22.053 20.268 1.00 0.00 H new ATOM 0 HA ALA A 23 12.921 20.956 22.040 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.457 21.555 20.143 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.068 20.589 19.590 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.095 22.347 19.315 1.00 0.00 H new ATOM 337 N SER A 24 12.526 24.220 21.667 1.00 0.00 N ATOM 338 CA SER A 24 12.807 25.510 22.288 1.00 0.00 C ATOM 339 C SER A 24 11.945 25.703 23.501 1.00 0.00 C ATOM 340 O SER A 24 12.410 26.233 24.510 1.00 0.00 O ATOM 341 CB SER A 24 12.736 26.744 21.318 1.00 0.00 C ATOM 342 OG SER A 24 13.398 27.900 21.847 1.00 0.00 O ATOM 0 H SER A 24 11.778 24.263 20.975 1.00 0.00 H new ATOM 0 HA SER A 24 13.854 25.472 22.590 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.188 26.477 20.363 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.692 26.986 21.120 1.00 0.00 H new ATOM 0 HG SER A 24 13.100 28.055 22.768 1.00 0.00 H new ATOM 348 N LYS A 25 10.672 25.210 23.479 1.00 0.00 N ATOM 349 CA LYS A 25 9.675 25.358 24.548 1.00 0.00 C ATOM 350 C LYS A 25 10.114 24.943 25.950 1.00 0.00 C ATOM 351 O LYS A 25 9.705 25.567 26.920 1.00 0.00 O ATOM 352 CB LYS A 25 8.411 24.548 24.199 1.00 0.00 C ATOM 353 CG LYS A 25 7.549 25.170 23.086 1.00 0.00 C ATOM 354 CD LYS A 25 6.726 26.423 23.421 1.00 0.00 C ATOM 355 CE LYS A 25 5.704 26.272 24.564 1.00 0.00 C ATOM 356 NZ LYS A 25 6.302 26.496 25.911 1.00 0.00 N ATOM 0 H LYS A 25 10.314 24.683 22.683 1.00 0.00 H new ATOM 0 HA LYS A 25 9.500 26.433 24.591 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.709 23.545 23.894 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.803 24.441 25.097 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.208 25.417 22.253 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.860 24.404 22.731 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.414 27.228 23.679 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.194 26.735 22.523 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.889 26.980 24.412 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.270 25.273 24.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.500 25.579 26.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.188 27.031 25.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.636 27.034 26.501 1.00 0.00 H new ATOM 370 N GLU A 26 11.046 23.964 26.007 1.00 0.00 N ATOM 371 CA GLU A 26 11.754 23.414 27.151 1.00 0.00 C ATOM 372 C GLU A 26 12.802 24.355 27.761 1.00 0.00 C ATOM 373 O GLU A 26 13.176 24.212 28.923 1.00 0.00 O ATOM 374 CB GLU A 26 12.409 22.070 26.715 1.00 0.00 C ATOM 375 CG GLU A 26 12.894 21.179 27.879 1.00 0.00 C ATOM 376 CD GLU A 26 12.305 19.772 27.771 1.00 0.00 C ATOM 377 OE1 GLU A 26 11.060 19.651 27.629 1.00 0.00 O ATOM 378 OE2 GLU A 26 13.107 18.798 27.833 1.00 0.00 O ATOM 0 H GLU A 26 11.342 23.499 25.149 1.00 0.00 H new ATOM 0 HA GLU A 26 11.023 23.262 27.945 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.689 21.507 26.121 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.257 22.289 26.066 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.983 21.124 27.871 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.605 21.627 28.830 1.00 0.00 H new ATOM 385 N ALA A 27 13.249 25.401 27.003 1.00 0.00 N ATOM 386 CA ALA A 27 14.065 26.513 27.458 1.00 0.00 C ATOM 387 C ALA A 27 13.154 27.630 27.924 1.00 0.00 C ATOM 388 O ALA A 27 13.274 28.070 29.066 1.00 0.00 O ATOM 389 CB ALA A 27 15.031 27.064 26.374 1.00 0.00 C ATOM 0 H ALA A 27 13.025 25.472 26.010 1.00 0.00 H new ATOM 0 HA ALA A 27 14.689 26.137 28.269 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.607 27.892 26.787 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.710 26.273 26.056 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.455 27.414 25.517 1.00 0.00 H new ATOM 395 N GLU A 28 12.153 28.043 27.079 1.00 0.00 N ATOM 396 CA GLU A 28 11.157 29.090 27.345 1.00 0.00 C ATOM 397 C GLU A 28 10.257 28.835 28.561 1.00 0.00 C ATOM 398 O GLU A 28 9.994 29.753 29.335 1.00 0.00 O ATOM 399 CB GLU A 28 10.249 29.421 26.101 1.00 0.00 C ATOM 400 CG GLU A 28 10.838 30.389 25.037 1.00 0.00 C ATOM 401 CD GLU A 28 12.047 29.834 24.310 1.00 0.00 C ATOM 402 OE1 GLU A 28 11.850 28.876 23.513 1.00 0.00 O ATOM 403 OE2 GLU A 28 13.163 30.375 24.508 1.00 0.00 O ATOM 0 H GLU A 28 12.030 27.624 26.157 1.00 0.00 H new ATOM 0 HA GLU A 28 11.783 29.952 27.575 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.999 28.483 25.605 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.315 29.847 26.467 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.064 30.627 24.307 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.115 31.324 25.524 1.00 0.00 H new ATOM 410 N GLU A 29 9.784 27.572 28.796 1.00 0.00 N ATOM 411 CA GLU A 29 8.986 27.231 29.982 1.00 0.00 C ATOM 412 C GLU A 29 9.825 26.780 31.170 1.00 0.00 C ATOM 413 O GLU A 29 9.291 26.602 32.261 1.00 0.00 O ATOM 414 CB GLU A 29 7.757 26.278 29.724 1.00 0.00 C ATOM 415 CG GLU A 29 8.018 24.757 29.505 1.00 0.00 C ATOM 416 CD GLU A 29 6.866 24.098 28.715 1.00 0.00 C ATOM 417 OE1 GLU A 29 6.633 24.600 27.573 1.00 0.00 O ATOM 418 OE2 GLU A 29 6.235 23.108 29.178 1.00 0.00 O ATOM 0 H GLU A 29 9.951 26.784 28.170 1.00 0.00 H new ATOM 0 HA GLU A 29 8.537 28.186 30.254 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.079 26.378 30.571 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.228 26.652 28.847 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.956 24.621 28.966 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.130 24.262 30.470 1.00 0.00 H new ATOM 425 N ALA A 30 11.183 26.676 31.032 1.00 0.00 N ATOM 426 CA ALA A 30 12.114 26.482 32.144 1.00 0.00 C ATOM 427 C ALA A 30 12.564 27.838 32.656 1.00 0.00 C ATOM 428 O ALA A 30 12.441 28.189 33.830 1.00 0.00 O ATOM 429 CB ALA A 30 13.358 25.638 31.765 1.00 0.00 C ATOM 0 H ALA A 30 11.648 26.728 30.125 1.00 0.00 H new ATOM 0 HA ALA A 30 11.580 25.926 32.914 1.00 0.00 H new ATOM 0 HB1 ALA A 30 14.006 25.533 32.635 1.00 0.00 H new ATOM 0 HB2 ALA A 30 13.040 24.651 31.429 1.00 0.00 H new ATOM 0 HB3 ALA A 30 13.905 26.135 30.964 1.00 0.00 H new ATOM 435 N ALA A 31 13.011 28.700 31.705 1.00 0.00 N ATOM 436 CA ALA A 31 13.433 30.073 31.915 1.00 0.00 C ATOM 437 C ALA A 31 12.260 31.030 31.878 1.00 0.00 C ATOM 438 O ALA A 31 12.275 32.053 31.195 1.00 0.00 O ATOM 439 CB ALA A 31 14.499 30.509 30.889 1.00 0.00 C ATOM 0 H ALA A 31 13.083 28.422 30.726 1.00 0.00 H new ATOM 0 HA ALA A 31 13.879 30.110 32.909 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.788 31.542 31.081 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.374 29.865 30.978 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.090 30.428 29.882 1.00 0.00 H new ATOM 445 N LYS A 32 11.236 30.672 32.682 1.00 0.00 N ATOM 446 CA LYS A 32 10.135 31.470 33.120 1.00 0.00 C ATOM 447 C LYS A 32 9.694 30.771 34.372 1.00 0.00 C ATOM 448 O LYS A 32 9.737 31.343 35.462 1.00 0.00 O ATOM 449 CB LYS A 32 8.979 31.661 32.099 1.00 0.00 C ATOM 450 CG LYS A 32 7.942 32.702 32.578 1.00 0.00 C ATOM 451 CD LYS A 32 6.879 33.100 31.537 1.00 0.00 C ATOM 452 CE LYS A 32 6.041 34.345 31.903 1.00 0.00 C ATOM 453 NZ LYS A 32 5.441 34.214 33.239 1.00 0.00 N ATOM 0 H LYS A 32 11.180 29.726 33.060 1.00 0.00 H new ATOM 0 HA LYS A 32 10.442 32.505 33.268 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.392 31.976 31.141 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.482 30.705 31.933 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.435 32.307 33.458 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.473 33.601 32.893 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.376 33.282 30.584 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.204 32.257 31.389 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.673 35.233 31.872 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.255 34.487 31.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.306 35.158 33.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.521 33.735 33.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.071 33.655 33.849 1.00 0.00 H new ATOM 467 N GLU A 33 9.296 29.468 34.279 1.00 0.00 N ATOM 468 CA GLU A 33 8.681 28.759 35.396 1.00 0.00 C ATOM 469 C GLU A 33 9.656 28.223 36.434 1.00 0.00 C ATOM 470 O GLU A 33 9.260 28.077 37.578 1.00 0.00 O ATOM 471 CB GLU A 33 7.618 27.689 34.996 1.00 0.00 C ATOM 472 CG GLU A 33 6.331 28.307 34.397 1.00 0.00 C ATOM 473 CD GLU A 33 5.308 27.226 34.038 1.00 0.00 C ATOM 474 OE1 GLU A 33 4.819 26.520 34.965 1.00 0.00 O ATOM 475 OE2 GLU A 33 5.021 27.123 32.810 1.00 0.00 O ATOM 0 H GLU A 33 9.399 28.905 33.434 1.00 0.00 H new ATOM 0 HA GLU A 33 8.129 29.559 35.889 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.056 27.003 34.271 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.356 27.099 35.875 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.892 29.002 35.113 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.582 28.883 33.506 1.00 0.00 H new ATOM 482 N ALA A 34 10.958 27.974 36.139 1.00 0.00 N ATOM 483 CA ALA A 34 11.949 27.642 37.164 1.00 0.00 C ATOM 484 C ALA A 34 12.669 28.857 37.708 1.00 0.00 C ATOM 485 O ALA A 34 13.057 28.893 38.873 1.00 0.00 O ATOM 486 CB ALA A 34 13.014 26.620 36.685 1.00 0.00 C ATOM 0 H ALA A 34 11.335 28.000 35.192 1.00 0.00 H new ATOM 0 HA ALA A 34 11.356 27.188 37.958 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.716 26.420 37.494 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.522 25.692 36.393 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.553 27.029 35.830 1.00 0.00 H new ATOM 492 N VAL A 35 12.924 29.872 36.841 1.00 0.00 N ATOM 493 CA VAL A 35 13.850 30.982 37.084 1.00 0.00 C ATOM 494 C VAL A 35 13.197 32.090 37.887 1.00 0.00 C ATOM 495 O VAL A 35 13.873 32.881 38.542 1.00 0.00 O ATOM 496 CB VAL A 35 14.452 31.489 35.761 1.00 0.00 C ATOM 497 CG1 VAL A 35 15.372 32.737 35.895 1.00 0.00 C ATOM 498 CG2 VAL A 35 15.252 30.310 35.159 1.00 0.00 C ATOM 0 H VAL A 35 12.471 29.931 35.929 1.00 0.00 H new ATOM 0 HA VAL A 35 14.674 30.610 37.693 1.00 0.00 H new ATOM 0 HB VAL A 35 13.631 31.820 35.125 1.00 0.00 H new ATOM 0 HG11 VAL A 35 15.748 33.019 34.912 1.00 0.00 H new ATOM 0 HG12 VAL A 35 14.803 33.565 36.317 1.00 0.00 H new ATOM 0 HG13 VAL A 35 16.211 32.502 36.550 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.701 30.619 34.215 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.037 30.011 35.853 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.582 29.468 34.984 1.00 0.00 H new ATOM 508 N ASN A 36 11.848 32.156 37.882 1.00 0.00 N ATOM 509 CA ASN A 36 11.134 33.143 38.654 1.00 0.00 C ATOM 510 C ASN A 36 9.790 32.612 39.037 1.00 0.00 C ATOM 511 O ASN A 36 9.304 32.976 40.109 1.00 0.00 O ATOM 512 CB ASN A 36 11.095 34.578 38.044 1.00 0.00 C ATOM 513 CG ASN A 36 10.302 34.672 36.757 1.00 0.00 C ATOM 514 OD1 ASN A 36 9.231 35.254 36.837 1.00 0.00 O ATOM 515 ND2 ASN A 36 10.736 34.091 35.622 1.00 0.00 N ATOM 0 H ASN A 36 11.250 31.528 37.345 1.00 0.00 H new ATOM 0 HA ASN A 36 11.715 33.305 39.562 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.666 35.262 38.776 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.116 34.911 37.856 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.162 34.126 34.780 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.639 33.616 35.605 1.00 0.00 H new ATOM 522 N LEU A 37 9.124 31.789 38.166 1.00 0.00 N ATOM 523 CA LEU A 37 7.882 31.080 38.473 1.00 0.00 C ATOM 524 C LEU A 37 6.686 31.987 38.254 1.00 0.00 C ATOM 525 O LEU A 37 5.622 31.771 38.821 1.00 0.00 O ATOM 526 CB LEU A 37 7.868 30.360 39.869 1.00 0.00 C ATOM 527 CG LEU A 37 6.765 29.306 40.144 1.00 0.00 C ATOM 528 CD1 LEU A 37 7.232 27.844 40.023 1.00 0.00 C ATOM 529 CD2 LEU A 37 6.111 29.598 41.506 1.00 0.00 C ATOM 0 H LEU A 37 9.459 31.611 37.219 1.00 0.00 H new ATOM 0 HA LEU A 37 7.813 30.254 37.766 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.834 29.872 40.000 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.792 31.129 40.638 1.00 0.00 H new ATOM 0 HG LEU A 37 6.023 29.407 39.352 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.396 27.177 40.232 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.599 27.662 39.013 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.033 27.657 40.739 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.335 28.859 41.703 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.866 29.549 42.290 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.668 30.594 41.491 1.00 0.00 H new ATOM 541 N LYS A 38 6.856 33.081 37.470 1.00 0.00 N ATOM 542 CA LYS A 38 5.810 34.042 37.248 1.00 0.00 C ATOM 543 C LYS A 38 6.172 34.714 35.932 1.00 0.00 C ATOM 544 O LYS A 38 7.078 34.182 35.222 1.00 0.00 O ATOM 545 CB LYS A 38 5.653 35.086 38.386 1.00 0.00 C ATOM 546 CG LYS A 38 6.986 35.689 38.844 1.00 0.00 C ATOM 547 CD LYS A 38 6.947 36.430 40.181 1.00 0.00 C ATOM 548 CE LYS A 38 8.328 36.489 40.857 1.00 0.00 C ATOM 549 NZ LYS A 38 8.709 35.179 41.460 1.00 0.00 N ATOM 550 OXT LYS A 38 5.440 35.643 35.512 1.00 0.00 O ATOM 0 H LYS A 38 7.728 33.298 36.987 1.00 0.00 H new ATOM 0 HA LYS A 38 4.842 33.542 37.223 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.997 35.888 38.046 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.164 34.614 39.238 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.723 34.888 38.913 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.336 36.379 38.076 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.580 37.444 40.021 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.240 35.936 40.847 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.079 36.783 40.124 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.321 37.256 41.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.645 35.261 41.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.007 34.910 42.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.741 34.451 40.718 1.00 0.00 H new TER 564 LYS A 38