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+ -114:sc= 0.685 (180deg=-1.02!) 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+ 174:sc= 0 (180deg=-0.041) USER MOD Single : A 8 GLN : amide:sc= 0.15 X(o=0.15,f=-0.23) USER MOD Single : A 10 SER OG : rot 2:sc= 1.22 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.0454 K(o=-0.045,f=-1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0787 X(o=-0.079,f=-0.099) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= 1.2 (180deg=0.739) USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= 0.968 (180deg=0.452) USER MOD Single : A 36 ASN : amide:sc= 0.628! C(o=0.63!,f=-9.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 7.232 25.049 0.188 1.00 0.00 N ATOM 2 CA GLU A 1 8.227 25.979 0.773 1.00 0.00 C ATOM 3 C GLU A 1 7.434 27.001 1.517 1.00 0.00 C ATOM 4 O GLU A 1 7.224 26.869 2.716 1.00 0.00 O ATOM 5 CB GLU A 1 9.135 26.584 -0.349 1.00 0.00 C ATOM 6 CG GLU A 1 10.225 25.611 -0.882 1.00 0.00 C ATOM 7 CD GLU A 1 9.641 24.317 -1.454 1.00 0.00 C ATOM 8 OE1 GLU A 1 8.460 24.373 -1.909 1.00 0.00 O ATOM 9 OE2 GLU A 1 10.294 23.254 -1.346 1.00 0.00 O ATOM 0 H1 GLU A 1 7.333 24.111 0.626 1.00 0.00 H new ATOM 0 H2 GLU A 1 6.273 25.411 0.363 1.00 0.00 H new ATOM 0 H3 GLU A 1 7.390 24.971 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 1 8.919 25.485 1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 1 8.505 26.897 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 1 9.621 27.480 0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 1 10.807 26.114 -1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 1 10.913 25.366 -0.073 1.00 0.00 H new ATOM 18 N ALA A 2 6.868 28.023 0.824 1.00 0.00 N ATOM 19 CA ALA A 2 6.004 29.033 1.428 1.00 0.00 C ATOM 20 C ALA A 2 4.548 28.732 1.125 1.00 0.00 C ATOM 21 O ALA A 2 3.753 29.600 0.775 1.00 0.00 O ATOM 22 CB ALA A 2 6.357 30.450 0.927 1.00 0.00 C ATOM 0 H ALA A 2 7.009 28.157 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 2 6.164 29.001 2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.695 31.177 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.391 30.680 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.235 30.494 -0.155 1.00 0.00 H new ATOM 28 N TYR A 3 4.192 27.431 1.258 1.00 0.00 N ATOM 29 CA TYR A 3 2.900 26.877 0.901 1.00 0.00 C ATOM 30 C TYR A 3 2.410 26.176 2.133 1.00 0.00 C ATOM 31 O TYR A 3 2.397 26.766 3.208 1.00 0.00 O ATOM 32 CB TYR A 3 2.953 25.900 -0.318 1.00 0.00 C ATOM 33 CG TYR A 3 3.619 26.578 -1.483 1.00 0.00 C ATOM 34 CD1 TYR A 3 3.187 27.835 -1.948 1.00 0.00 C ATOM 35 CD2 TYR A 3 4.721 25.972 -2.110 1.00 0.00 C ATOM 36 CE1 TYR A 3 3.847 28.468 -3.005 1.00 0.00 C ATOM 37 CE2 TYR A 3 5.389 26.602 -3.168 1.00 0.00 C ATOM 38 CZ TYR A 3 4.942 27.855 -3.629 1.00 0.00 C ATOM 39 OH TYR A 3 5.577 28.486 -4.726 1.00 0.00 O ATOM 0 H TYR A 3 4.832 26.730 1.631 1.00 0.00 H new ATOM 0 HA TYR A 3 2.230 27.674 0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.501 24.997 -0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.944 25.591 -0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.338 28.314 -1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.059 25.004 -1.770 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.511 29.437 -3.343 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.244 26.128 -3.628 1.00 0.00 H new ATOM 0 HH TYR A 3 6.319 27.928 -5.040 1.00 0.00 H new ATOM 49 N LYS A 4 2.021 24.872 2.025 1.00 0.00 N ATOM 50 CA LYS A 4 1.569 24.045 3.145 1.00 0.00 C ATOM 51 C LYS A 4 2.754 23.355 3.768 1.00 0.00 C ATOM 52 O LYS A 4 2.700 22.975 4.931 1.00 0.00 O ATOM 53 CB LYS A 4 0.496 22.968 2.773 1.00 0.00 C ATOM 54 CG LYS A 4 -0.926 23.519 2.564 1.00 0.00 C ATOM 55 CD LYS A 4 -1.078 24.527 1.412 1.00 0.00 C ATOM 56 CE LYS A 4 -2.525 24.841 1.013 1.00 0.00 C ATOM 57 NZ LYS A 4 -3.255 25.552 2.095 1.00 0.00 N ATOM 0 H LYS A 4 2.019 24.374 1.135 1.00 0.00 H new ATOM 0 HA LYS A 4 1.085 24.731 3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.812 22.461 1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.467 22.217 3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.599 22.681 2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.252 23.996 3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.585 25.457 1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.552 24.141 0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.529 25.452 0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.045 23.914 0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.229 25.746 1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.274 24.959 2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.774 26.449 2.307 1.00 0.00 H new ATOM 71 N LYS A 5 3.861 23.222 2.986 1.00 0.00 N ATOM 72 CA LYS A 5 5.173 22.768 3.408 1.00 0.00 C ATOM 73 C LYS A 5 5.253 21.259 3.267 1.00 0.00 C ATOM 74 O LYS A 5 5.406 20.776 2.147 1.00 0.00 O ATOM 75 CB LYS A 5 5.684 23.364 4.771 1.00 0.00 C ATOM 76 CG LYS A 5 5.768 24.917 4.728 1.00 0.00 C ATOM 77 CD LYS A 5 5.433 25.675 6.030 1.00 0.00 C ATOM 78 CE LYS A 5 4.084 26.418 5.953 1.00 0.00 C ATOM 79 NZ LYS A 5 3.877 27.373 7.082 1.00 0.00 N ATOM 0 H LYS A 5 3.837 23.447 1.991 1.00 0.00 H new ATOM 0 HA LYS A 5 5.913 23.193 2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.014 23.058 5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.667 22.953 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.778 25.193 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.094 25.271 3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.408 24.970 6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.226 26.391 6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.029 26.962 5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.274 25.689 5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.955 27.841 6.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.900 26.855 7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.632 28.089 7.074 1.00 0.00 H new ATOM 93 N ALA A 6 5.118 20.477 4.371 1.00 0.00 N ATOM 94 CA ALA A 6 5.027 19.023 4.361 1.00 0.00 C ATOM 95 C ALA A 6 3.572 18.618 4.289 1.00 0.00 C ATOM 96 O ALA A 6 2.676 19.429 4.509 1.00 0.00 O ATOM 97 CB ALA A 6 5.682 18.375 5.608 1.00 0.00 C ATOM 0 H ALA A 6 5.070 20.869 5.311 1.00 0.00 H new ATOM 0 HA ALA A 6 5.573 18.666 3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.585 17.291 5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.738 18.643 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.184 18.735 6.509 1.00 0.00 H new ATOM 103 N LYS A 7 3.295 17.319 4.013 1.00 0.00 N ATOM 104 CA LYS A 7 1.960 16.762 3.977 1.00 0.00 C ATOM 105 C LYS A 7 1.767 16.069 5.302 1.00 0.00 C ATOM 106 O LYS A 7 2.315 14.988 5.531 1.00 0.00 O ATOM 107 CB LYS A 7 1.789 15.752 2.805 1.00 0.00 C ATOM 108 CG LYS A 7 0.355 15.599 2.259 1.00 0.00 C ATOM 109 CD LYS A 7 -0.575 14.688 3.086 1.00 0.00 C ATOM 110 CE LYS A 7 -2.008 14.569 2.551 1.00 0.00 C ATOM 111 NZ LYS A 7 -2.031 14.081 1.150 1.00 0.00 N ATOM 0 H LYS A 7 4.022 16.633 3.808 1.00 0.00 H new ATOM 0 HA LYS A 7 1.219 17.545 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.439 16.060 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.138 14.774 3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.098 16.588 2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.411 15.206 1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.136 13.691 3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.615 15.066 4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.577 13.888 3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.499 15.541 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.015 13.916 0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.598 14.793 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.496 13.192 1.083 1.00 0.00 H new ATOM 125 N GLN A 8 0.946 16.689 6.202 1.00 0.00 N ATOM 126 CA GLN A 8 0.576 16.210 7.526 1.00 0.00 C ATOM 127 C GLN A 8 -0.489 15.148 7.357 1.00 0.00 C ATOM 128 O GLN A 8 -1.666 15.419 7.144 1.00 0.00 O ATOM 129 CB GLN A 8 0.045 17.341 8.448 1.00 0.00 C ATOM 130 CG GLN A 8 1.017 18.538 8.523 1.00 0.00 C ATOM 131 CD GLN A 8 0.647 19.647 9.529 1.00 0.00 C ATOM 132 OE1 GLN A 8 1.487 20.537 9.613 1.00 0.00 O ATOM 133 NE2 GLN A 8 -0.487 19.682 10.267 1.00 0.00 N ATOM 0 H GLN A 8 0.512 17.587 5.988 1.00 0.00 H new ATOM 0 HA GLN A 8 1.468 15.809 8.008 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.922 17.683 8.080 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.118 16.944 9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.008 18.161 8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.090 18.984 7.531 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.174 18.932 10.183 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.655 20.458 10.907 1.00 0.00 H new ATOM 142 N ALA A 9 -0.001 13.892 7.330 1.00 0.00 N ATOM 143 CA ALA A 9 -0.668 12.731 6.794 1.00 0.00 C ATOM 144 C ALA A 9 -1.269 11.947 7.916 1.00 0.00 C ATOM 145 O ALA A 9 -2.373 11.415 7.794 1.00 0.00 O ATOM 146 CB ALA A 9 0.359 11.854 6.032 1.00 0.00 C ATOM 0 H ALA A 9 0.920 13.668 7.707 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.455 13.041 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.143 10.976 5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.797 12.431 5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.146 11.538 6.716 1.00 0.00 H new ATOM 152 N SER A 10 -0.516 11.843 9.031 1.00 0.00 N ATOM 153 CA SER A 10 -0.914 11.191 10.241 1.00 0.00 C ATOM 154 C SER A 10 0.188 11.546 11.164 1.00 0.00 C ATOM 155 O SER A 10 1.054 12.361 10.809 1.00 0.00 O ATOM 156 CB SER A 10 -1.088 9.644 10.141 1.00 0.00 C ATOM 157 OG SER A 10 -2.197 9.330 9.310 1.00 0.00 O ATOM 0 H SER A 10 0.423 12.237 9.088 1.00 0.00 H new ATOM 0 HA SER A 10 -1.907 11.514 10.553 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.182 9.194 9.736 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.237 9.222 11.135 1.00 0.00 H new ATOM 0 HG SER A 10 -2.587 10.157 8.958 1.00 0.00 H new ATOM 163 N GLN A 11 0.172 10.917 12.374 1.00 0.00 N ATOM 164 CA GLN A 11 0.929 11.251 13.562 1.00 0.00 C ATOM 165 C GLN A 11 2.415 11.062 13.400 1.00 0.00 C ATOM 166 O GLN A 11 3.184 11.745 14.042 1.00 0.00 O ATOM 167 CB GLN A 11 0.424 10.494 14.817 1.00 0.00 C ATOM 168 CG GLN A 11 0.328 8.967 14.636 1.00 0.00 C ATOM 169 CD GLN A 11 0.252 8.287 16.005 1.00 0.00 C ATOM 170 OE1 GLN A 11 1.134 7.494 16.315 1.00 0.00 O ATOM 171 NE2 GLN A 11 -0.746 8.598 16.871 1.00 0.00 N ATOM 0 H GLN A 11 -0.424 10.104 12.530 1.00 0.00 H new ATOM 0 HA GLN A 11 0.755 12.317 13.712 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.093 10.709 15.651 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.559 10.879 15.089 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.553 8.716 14.046 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.195 8.601 14.086 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.472 9.260 16.596 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.770 8.170 17.796 1.00 0.00 H new ATOM 180 N ASP A 12 2.882 10.218 12.451 1.00 0.00 N ATOM 181 CA ASP A 12 4.264 10.053 12.009 1.00 0.00 C ATOM 182 C ASP A 12 4.880 11.274 11.380 1.00 0.00 C ATOM 183 O ASP A 12 6.080 11.519 11.495 1.00 0.00 O ATOM 184 CB ASP A 12 4.330 8.974 10.902 1.00 0.00 C ATOM 185 CG ASP A 12 4.004 7.667 11.571 1.00 0.00 C ATOM 186 OD1 ASP A 12 2.802 7.512 11.916 1.00 0.00 O ATOM 187 OD2 ASP A 12 4.920 6.829 11.750 1.00 0.00 O ATOM 0 H ASP A 12 2.250 9.597 11.946 1.00 0.00 H new ATOM 0 HA ASP A 12 4.807 9.804 12.921 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.620 9.191 10.104 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.320 8.942 10.447 1.00 0.00 H new ATOM 192 N ALA A 13 4.024 12.100 10.718 1.00 0.00 N ATOM 193 CA ALA A 13 4.456 13.326 10.061 1.00 0.00 C ATOM 194 C ALA A 13 4.307 14.469 11.032 1.00 0.00 C ATOM 195 O ALA A 13 5.193 15.313 11.142 1.00 0.00 O ATOM 196 CB ALA A 13 3.668 13.642 8.762 1.00 0.00 C ATOM 0 H ALA A 13 3.023 11.920 10.636 1.00 0.00 H new ATOM 0 HA ALA A 13 5.496 13.188 9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.042 14.568 8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.798 12.827 8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.609 13.753 8.997 1.00 0.00 H new ATOM 202 N GLU A 14 3.188 14.474 11.806 1.00 0.00 N ATOM 203 CA GLU A 14 2.788 15.533 12.718 1.00 0.00 C ATOM 204 C GLU A 14 3.505 15.470 14.061 1.00 0.00 C ATOM 205 O GLU A 14 3.625 16.482 14.741 1.00 0.00 O ATOM 206 CB GLU A 14 1.234 15.592 12.868 1.00 0.00 C ATOM 207 CG GLU A 14 0.686 17.016 12.660 1.00 0.00 C ATOM 208 CD GLU A 14 -0.843 17.026 12.575 1.00 0.00 C ATOM 209 OE1 GLU A 14 -1.523 16.585 13.539 1.00 0.00 O ATOM 210 OE2 GLU A 14 -1.345 17.519 11.528 1.00 0.00 O ATOM 0 H GLU A 14 2.525 13.699 11.797 1.00 0.00 H new ATOM 0 HA GLU A 14 3.108 16.473 12.268 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.775 14.918 12.145 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.952 15.237 13.859 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.009 17.654 13.482 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.104 17.437 11.746 1.00 0.00 H new ATOM 217 N GLN A 15 4.056 14.283 14.449 1.00 0.00 N ATOM 218 CA GLN A 15 4.938 14.061 15.592 1.00 0.00 C ATOM 219 C GLN A 15 6.374 14.402 15.286 1.00 0.00 C ATOM 220 O GLN A 15 7.056 14.998 16.114 1.00 0.00 O ATOM 221 CB GLN A 15 4.949 12.593 16.127 1.00 0.00 C ATOM 222 CG GLN A 15 5.674 12.357 17.459 1.00 0.00 C ATOM 223 CD GLN A 15 4.990 13.156 18.560 1.00 0.00 C ATOM 224 OE1 GLN A 15 3.827 13.547 18.493 1.00 0.00 O ATOM 225 NE2 GLN A 15 5.737 13.431 19.647 1.00 0.00 N ATOM 0 H GLN A 15 3.876 13.422 13.933 1.00 0.00 H new ATOM 0 HA GLN A 15 4.519 14.723 16.350 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.916 12.262 16.237 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.409 11.957 15.370 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.665 11.296 17.707 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.719 12.656 17.374 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.702 13.105 19.699 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.338 13.966 20.418 1.00 0.00 H new ATOM 234 N ALA A 16 6.874 14.060 14.068 1.00 0.00 N ATOM 235 CA ALA A 16 8.247 14.335 13.643 1.00 0.00 C ATOM 236 C ALA A 16 8.505 15.814 13.402 1.00 0.00 C ATOM 237 O ALA A 16 9.555 16.351 13.745 1.00 0.00 O ATOM 238 CB ALA A 16 8.595 13.560 12.359 1.00 0.00 C ATOM 0 H ALA A 16 6.319 13.582 13.358 1.00 0.00 H new ATOM 0 HA ALA A 16 8.882 14.006 14.465 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.621 13.783 12.066 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.494 12.490 12.541 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.917 13.857 11.559 1.00 0.00 H new ATOM 244 N ALA A 17 7.460 16.523 12.888 1.00 0.00 N ATOM 245 CA ALA A 17 7.424 17.968 12.704 1.00 0.00 C ATOM 246 C ALA A 17 7.290 18.787 13.991 1.00 0.00 C ATOM 247 O ALA A 17 7.539 19.992 13.998 1.00 0.00 O ATOM 248 CB ALA A 17 6.250 18.343 11.769 1.00 0.00 C ATOM 0 H ALA A 17 6.598 16.069 12.586 1.00 0.00 H new ATOM 0 HA ALA A 17 8.394 18.221 12.276 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.225 19.424 11.633 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.386 17.858 10.802 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.311 18.011 12.213 1.00 0.00 H new ATOM 254 N LYS A 18 6.912 18.129 15.123 1.00 0.00 N ATOM 255 CA LYS A 18 6.613 18.717 16.425 1.00 0.00 C ATOM 256 C LYS A 18 7.866 19.035 17.206 1.00 0.00 C ATOM 257 O LYS A 18 7.900 19.973 17.994 1.00 0.00 O ATOM 258 CB LYS A 18 5.734 17.752 17.276 1.00 0.00 C ATOM 259 CG LYS A 18 4.259 18.149 17.361 1.00 0.00 C ATOM 260 CD LYS A 18 3.415 17.015 17.971 1.00 0.00 C ATOM 261 CE LYS A 18 1.945 16.975 17.554 1.00 0.00 C ATOM 262 NZ LYS A 18 1.184 18.042 18.222 1.00 0.00 N ATOM 0 H LYS A 18 6.807 17.114 15.133 1.00 0.00 H new ATOM 0 HA LYS A 18 6.075 19.645 16.229 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.804 16.749 16.854 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.143 17.702 18.285 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.156 19.050 17.966 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.886 18.389 16.366 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.874 16.063 17.704 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.462 17.098 19.057 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.866 17.088 16.473 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.517 16.005 17.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.188 17.997 17.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.244 17.918 19.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.581 18.967 17.961 1.00 0.00 H new ATOM 276 N ASP A 19 8.948 18.260 16.953 1.00 0.00 N ATOM 277 CA ASP A 19 10.236 18.239 17.646 1.00 0.00 C ATOM 278 C ASP A 19 11.128 19.431 17.285 1.00 0.00 C ATOM 279 O ASP A 19 12.166 19.687 17.890 1.00 0.00 O ATOM 280 CB ASP A 19 10.947 16.877 17.348 1.00 0.00 C ATOM 281 CG ASP A 19 11.968 16.511 18.423 1.00 0.00 C ATOM 282 OD1 ASP A 19 11.578 16.578 19.620 1.00 0.00 O ATOM 283 OD2 ASP A 19 13.120 16.142 18.081 1.00 0.00 O ATOM 0 H ASP A 19 8.929 17.580 16.193 1.00 0.00 H new ATOM 0 HA ASP A 19 10.050 18.332 18.716 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.199 16.087 17.276 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.445 16.934 16.380 1.00 0.00 H new ATOM 288 N ALA A 20 10.678 20.220 16.272 1.00 0.00 N ATOM 289 CA ALA A 20 11.316 21.413 15.759 1.00 0.00 C ATOM 290 C ALA A 20 10.838 22.665 16.470 1.00 0.00 C ATOM 291 O ALA A 20 11.600 23.602 16.708 1.00 0.00 O ATOM 292 CB ALA A 20 11.047 21.520 14.239 1.00 0.00 C ATOM 0 H ALA A 20 9.810 20.009 15.780 1.00 0.00 H new ATOM 0 HA ALA A 20 12.387 21.332 15.942 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.526 22.417 13.847 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.453 20.643 13.735 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.973 21.575 14.063 1.00 0.00 H new ATOM 298 N GLU A 21 9.528 22.707 16.833 1.00 0.00 N ATOM 299 CA GLU A 21 8.893 23.777 17.587 1.00 0.00 C ATOM 300 C GLU A 21 8.961 23.498 19.062 1.00 0.00 C ATOM 301 O GLU A 21 9.332 24.374 19.846 1.00 0.00 O ATOM 302 CB GLU A 21 7.427 24.017 17.147 1.00 0.00 C ATOM 303 CG GLU A 21 7.293 25.331 16.354 1.00 0.00 C ATOM 304 CD GLU A 21 7.143 26.572 17.271 1.00 0.00 C ATOM 305 OE1 GLU A 21 7.126 26.442 18.533 1.00 0.00 O ATOM 306 OE2 GLU A 21 7.033 27.690 16.709 1.00 0.00 O ATOM 0 H GLU A 21 8.877 21.960 16.591 1.00 0.00 H new ATOM 0 HA GLU A 21 9.447 24.691 17.373 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.087 23.182 16.534 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.782 24.051 18.025 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.170 25.458 15.719 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.428 25.265 15.694 1.00 0.00 H new ATOM 313 N ASN A 22 8.684 22.225 19.493 1.00 0.00 N ATOM 314 CA ASN A 22 8.586 21.803 20.904 1.00 0.00 C ATOM 315 C ASN A 22 9.935 21.754 21.622 1.00 0.00 C ATOM 316 O ASN A 22 10.006 21.495 22.818 1.00 0.00 O ATOM 317 CB ASN A 22 7.951 20.390 21.159 1.00 0.00 C ATOM 318 CG ASN A 22 6.454 20.261 20.851 1.00 0.00 C ATOM 319 OD1 ASN A 22 5.633 21.180 20.855 1.00 0.00 O ATOM 320 ND2 ASN A 22 6.053 18.995 20.574 1.00 0.00 N ATOM 0 H ASN A 22 8.521 21.457 18.842 1.00 0.00 H new ATOM 0 HA ASN A 22 7.930 22.581 21.294 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.490 19.657 20.558 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.111 20.125 22.204 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.072 18.804 20.369 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.732 18.234 20.571 1.00 0.00 H new ATOM 327 N ALA A 23 11.027 22.079 20.893 1.00 0.00 N ATOM 328 CA ALA A 23 12.403 22.113 21.326 1.00 0.00 C ATOM 329 C ALA A 23 12.729 23.447 21.948 1.00 0.00 C ATOM 330 O ALA A 23 13.597 23.539 22.814 1.00 0.00 O ATOM 331 CB ALA A 23 13.351 21.862 20.134 1.00 0.00 C ATOM 0 H ALA A 23 10.939 22.342 19.911 1.00 0.00 H new ATOM 0 HA ALA A 23 12.542 21.327 22.068 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.385 21.891 20.479 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.140 20.884 19.701 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.198 22.633 19.379 1.00 0.00 H new ATOM 337 N SER A 24 11.998 24.523 21.541 1.00 0.00 N ATOM 338 CA SER A 24 12.069 25.859 22.120 1.00 0.00 C ATOM 339 C SER A 24 11.100 26.044 23.279 1.00 0.00 C ATOM 340 O SER A 24 11.240 26.960 24.079 1.00 0.00 O ATOM 341 CB SER A 24 11.908 26.996 21.053 1.00 0.00 C ATOM 342 OG SER A 24 11.302 26.526 19.848 1.00 0.00 O ATOM 0 H SER A 24 11.327 24.462 20.775 1.00 0.00 H new ATOM 0 HA SER A 24 13.077 25.948 22.525 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.304 27.801 21.471 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.887 27.418 20.824 1.00 0.00 H new ATOM 0 HG SER A 24 11.220 27.267 19.212 1.00 0.00 H new ATOM 348 N LYS A 25 10.138 25.103 23.434 1.00 0.00 N ATOM 349 CA LYS A 25 9.045 25.093 24.402 1.00 0.00 C ATOM 350 C LYS A 25 9.426 24.495 25.732 1.00 0.00 C ATOM 351 O LYS A 25 8.796 24.753 26.758 1.00 0.00 O ATOM 352 CB LYS A 25 7.815 24.406 23.766 1.00 0.00 C ATOM 353 CG LYS A 25 7.136 25.482 22.931 1.00 0.00 C ATOM 354 CD LYS A 25 6.127 25.176 21.838 1.00 0.00 C ATOM 355 CE LYS A 25 5.241 26.416 21.633 1.00 0.00 C ATOM 356 NZ LYS A 25 6.028 27.692 21.547 1.00 0.00 N ATOM 0 H LYS A 25 10.115 24.277 22.836 1.00 0.00 H new ATOM 0 HA LYS A 25 8.790 26.126 24.640 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.114 23.560 23.148 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.142 24.020 24.531 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.636 26.148 23.634 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.934 26.057 22.461 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.639 24.918 20.911 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.517 24.316 22.115 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.659 26.293 20.720 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.531 26.488 22.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.430 28.442 21.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.342 27.971 22.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.858 27.548 20.937 1.00 0.00 H new ATOM 370 N GLU A 26 10.563 23.760 25.751 1.00 0.00 N ATOM 371 CA GLU A 26 11.235 23.301 26.955 1.00 0.00 C ATOM 372 C GLU A 26 12.139 24.378 27.551 1.00 0.00 C ATOM 373 O GLU A 26 12.516 24.314 28.718 1.00 0.00 O ATOM 374 CB GLU A 26 12.055 22.000 26.708 1.00 0.00 C ATOM 375 CG GLU A 26 11.166 20.794 26.306 1.00 0.00 C ATOM 376 CD GLU A 26 11.699 19.464 26.856 1.00 0.00 C ATOM 377 OE1 GLU A 26 12.179 19.494 28.021 1.00 0.00 O ATOM 378 OE2 GLU A 26 11.616 18.427 26.144 1.00 0.00 O ATOM 0 H GLU A 26 11.039 23.470 24.897 1.00 0.00 H new ATOM 0 HA GLU A 26 10.446 23.078 27.673 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.788 22.182 25.922 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.611 21.750 27.611 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.152 20.955 26.673 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.106 20.737 25.219 1.00 0.00 H new ATOM 385 N ALA A 27 12.476 25.447 26.782 1.00 0.00 N ATOM 386 CA ALA A 27 13.312 26.555 27.233 1.00 0.00 C ATOM 387 C ALA A 27 12.464 27.652 27.849 1.00 0.00 C ATOM 388 O ALA A 27 12.904 28.352 28.767 1.00 0.00 O ATOM 389 CB ALA A 27 14.166 27.122 26.080 1.00 0.00 C ATOM 0 H ALA A 27 12.161 25.550 25.817 1.00 0.00 H new ATOM 0 HA ALA A 27 13.989 26.167 27.994 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.777 27.946 26.450 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.814 26.338 25.687 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.512 27.484 25.286 1.00 0.00 H new ATOM 395 N GLU A 28 11.169 27.716 27.394 1.00 0.00 N ATOM 396 CA GLU A 28 10.061 28.549 27.883 1.00 0.00 C ATOM 397 C GLU A 28 9.759 28.342 29.363 1.00 0.00 C ATOM 398 O GLU A 28 9.510 29.304 30.084 1.00 0.00 O ATOM 399 CB GLU A 28 8.722 28.348 27.083 1.00 0.00 C ATOM 400 CG GLU A 28 8.769 28.816 25.610 1.00 0.00 C ATOM 401 CD GLU A 28 7.445 28.543 24.868 1.00 0.00 C ATOM 402 OE1 GLU A 28 6.401 28.419 25.554 1.00 0.00 O ATOM 403 OE2 GLU A 28 7.431 28.433 23.603 1.00 0.00 O ATOM 0 H GLU A 28 10.870 27.132 26.613 1.00 0.00 H new ATOM 0 HA GLU A 28 10.423 29.565 27.725 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.457 27.291 27.105 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.925 28.887 27.595 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.988 29.883 25.577 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.584 28.307 25.095 1.00 0.00 H new ATOM 410 N GLU A 29 9.812 27.071 29.855 1.00 0.00 N ATOM 411 CA GLU A 29 9.583 26.701 31.241 1.00 0.00 C ATOM 412 C GLU A 29 10.825 26.674 32.120 1.00 0.00 C ATOM 413 O GLU A 29 10.714 26.688 33.339 1.00 0.00 O ATOM 414 CB GLU A 29 8.694 25.449 31.405 1.00 0.00 C ATOM 415 CG GLU A 29 7.248 25.682 30.943 1.00 0.00 C ATOM 416 CD GLU A 29 6.269 25.348 32.071 1.00 0.00 C ATOM 417 OE1 GLU A 29 6.114 26.191 32.995 1.00 0.00 O ATOM 418 OE2 GLU A 29 5.698 24.237 32.050 1.00 0.00 O ATOM 0 H GLU A 29 10.023 26.268 29.262 1.00 0.00 H new ATOM 0 HA GLU A 29 9.004 27.536 31.634 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.125 24.626 30.835 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.692 25.145 32.452 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.120 26.720 30.637 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.034 25.064 30.071 1.00 0.00 H new ATOM 425 N ALA A 30 12.080 26.739 31.577 1.00 0.00 N ATOM 426 CA ALA A 30 13.314 26.815 32.387 1.00 0.00 C ATOM 427 C ALA A 30 13.547 28.206 32.958 1.00 0.00 C ATOM 428 O ALA A 30 14.210 28.412 33.973 1.00 0.00 O ATOM 429 CB ALA A 30 14.581 26.393 31.600 1.00 0.00 C ATOM 0 H ALA A 30 12.251 26.740 30.572 1.00 0.00 H new ATOM 0 HA ALA A 30 13.152 26.109 33.201 1.00 0.00 H new ATOM 0 HB1 ALA A 30 15.454 26.470 32.248 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.472 25.363 31.259 1.00 0.00 H new ATOM 0 HB3 ALA A 30 14.709 27.049 30.739 1.00 0.00 H new ATOM 435 N ALA A 31 12.899 29.208 32.324 1.00 0.00 N ATOM 436 CA ALA A 31 12.790 30.562 32.805 1.00 0.00 C ATOM 437 C ALA A 31 11.578 30.804 33.713 1.00 0.00 C ATOM 438 O ALA A 31 11.109 31.938 33.795 1.00 0.00 O ATOM 439 CB ALA A 31 12.733 31.532 31.616 1.00 0.00 C ATOM 0 H ALA A 31 12.427 29.068 31.431 1.00 0.00 H new ATOM 0 HA ALA A 31 13.677 30.739 33.414 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.651 32.555 31.984 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.641 31.433 31.021 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.867 31.298 30.997 1.00 0.00 H new ATOM 445 N LYS A 32 11.087 29.763 34.455 1.00 0.00 N ATOM 446 CA LYS A 32 10.111 29.888 35.543 1.00 0.00 C ATOM 447 C LYS A 32 10.798 29.791 36.890 1.00 0.00 C ATOM 448 O LYS A 32 10.829 30.769 37.634 1.00 0.00 O ATOM 449 CB LYS A 32 8.923 28.857 35.490 1.00 0.00 C ATOM 450 CG LYS A 32 7.622 29.297 34.793 1.00 0.00 C ATOM 451 CD LYS A 32 7.739 29.579 33.292 1.00 0.00 C ATOM 452 CE LYS A 32 6.416 29.744 32.523 1.00 0.00 C ATOM 453 NZ LYS A 32 5.471 28.642 32.829 1.00 0.00 N ATOM 0 H LYS A 32 11.377 28.798 34.295 1.00 0.00 H new ATOM 0 HA LYS A 32 9.665 30.873 35.404 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.282 27.957 34.991 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.676 28.577 36.514 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.871 28.521 34.941 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.253 30.196 35.286 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.327 30.487 33.160 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.302 28.765 32.834 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.959 30.699 32.782 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.616 29.767 31.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.796 28.536 32.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.000 27.755 32.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.953 28.861 33.704 1.00 0.00 H new ATOM 467 N GLU A 33 11.345 28.605 37.268 1.00 0.00 N ATOM 468 CA GLU A 33 11.842 28.315 38.611 1.00 0.00 C ATOM 469 C GLU A 33 13.298 28.703 38.745 1.00 0.00 C ATOM 470 O GLU A 33 13.765 29.057 39.831 1.00 0.00 O ATOM 471 CB GLU A 33 11.665 26.804 39.004 1.00 0.00 C ATOM 472 CG GLU A 33 10.204 26.289 39.034 1.00 0.00 C ATOM 473 CD GLU A 33 9.580 26.143 37.649 1.00 0.00 C ATOM 474 OE1 GLU A 33 10.313 26.237 36.621 1.00 0.00 O ATOM 475 OE2 GLU A 33 8.337 25.963 37.617 1.00 0.00 O ATOM 0 H GLU A 33 11.448 27.820 36.625 1.00 0.00 H new ATOM 0 HA GLU A 33 11.241 28.913 39.296 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.232 26.195 38.300 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.107 26.649 39.988 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.178 25.323 39.539 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.598 26.975 39.626 1.00 0.00 H new ATOM 482 N ALA A 34 14.038 28.640 37.606 1.00 0.00 N ATOM 483 CA ALA A 34 15.405 29.130 37.486 1.00 0.00 C ATOM 484 C ALA A 34 15.462 30.562 37.013 1.00 0.00 C ATOM 485 O ALA A 34 16.217 31.355 37.561 1.00 0.00 O ATOM 486 CB ALA A 34 16.321 28.229 36.632 1.00 0.00 C ATOM 0 H ALA A 34 13.679 28.237 36.740 1.00 0.00 H new ATOM 0 HA ALA A 34 15.802 29.093 38.501 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.321 28.661 36.591 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.373 27.236 37.078 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.917 28.152 35.623 1.00 0.00 H new ATOM 492 N VAL A 35 14.670 30.916 35.956 1.00 0.00 N ATOM 493 CA VAL A 35 14.488 32.278 35.421 1.00 0.00 C ATOM 494 C VAL A 35 15.528 32.583 34.335 1.00 0.00 C ATOM 495 O VAL A 35 15.472 33.580 33.623 1.00 0.00 O ATOM 496 CB VAL A 35 14.270 33.390 36.475 1.00 0.00 C ATOM 497 CG1 VAL A 35 13.949 34.769 35.856 1.00 0.00 C ATOM 498 CG2 VAL A 35 13.087 32.981 37.384 1.00 0.00 C ATOM 0 H VAL A 35 14.125 30.224 35.442 1.00 0.00 H new ATOM 0 HA VAL A 35 13.517 32.287 34.927 1.00 0.00 H new ATOM 0 HB VAL A 35 15.203 33.492 37.029 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.808 35.501 36.651 1.00 0.00 H new ATOM 0 HG12 VAL A 35 14.775 35.082 35.217 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.037 34.698 35.263 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.920 33.755 38.133 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.188 32.861 36.779 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.319 32.039 37.881 1.00 0.00 H new ATOM 508 N ASN A 36 16.561 31.728 34.224 1.00 0.00 N ATOM 509 CA ASN A 36 17.746 31.998 33.439 1.00 0.00 C ATOM 510 C ASN A 36 18.350 30.654 33.218 1.00 0.00 C ATOM 511 O ASN A 36 18.361 30.120 32.111 1.00 0.00 O ATOM 512 CB ASN A 36 18.746 33.015 34.118 1.00 0.00 C ATOM 513 CG ASN A 36 18.779 32.865 35.651 1.00 0.00 C ATOM 514 OD1 ASN A 36 19.534 32.047 36.153 1.00 0.00 O ATOM 515 ND2 ASN A 36 17.862 33.517 36.388 1.00 0.00 N ATOM 0 H ASN A 36 16.581 30.821 34.690 1.00 0.00 H new ATOM 0 HA ASN A 36 17.497 32.502 32.505 1.00 0.00 H new ATOM 0 HB2 ASN A 36 19.748 32.858 33.718 1.00 0.00 H new ATOM 0 HB3 ASN A 36 18.456 34.034 33.861 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.787 33.332 37.388 1.00 0.00 H new ATOM 0 HD22 ASN A 36 17.242 34.196 35.947 1.00 0.00 H new ATOM 522 N LEU A 37 18.873 30.133 34.356 1.00 0.00 N ATOM 523 CA LEU A 37 19.592 28.910 34.595 1.00 0.00 C ATOM 524 C LEU A 37 21.081 29.214 34.597 1.00 0.00 C ATOM 525 O LEU A 37 21.875 28.428 34.087 1.00 0.00 O ATOM 526 CB LEU A 37 19.180 27.694 33.703 1.00 0.00 C ATOM 527 CG LEU A 37 19.045 26.325 34.400 1.00 0.00 C ATOM 528 CD1 LEU A 37 18.643 25.268 33.363 1.00 0.00 C ATOM 529 CD2 LEU A 37 20.303 25.878 35.152 1.00 0.00 C ATOM 0 H LEU A 37 18.772 30.651 35.229 1.00 0.00 H new ATOM 0 HA LEU A 37 19.302 28.545 35.580 1.00 0.00 H new ATOM 0 HB2 LEU A 37 18.226 27.929 33.231 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.915 27.596 32.904 1.00 0.00 H new ATOM 0 HG LEU A 37 18.273 26.436 35.161 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.546 24.298 33.851 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.690 25.544 32.913 1.00 0.00 H new ATOM 0 HD13 LEU A 37 19.407 25.210 32.588 1.00 0.00 H new ATOM 0 HD21 LEU A 37 20.125 24.907 35.614 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.136 25.801 34.454 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.544 26.608 35.925 1.00 0.00 H new ATOM 541 N LYS A 38 21.508 30.369 35.166 1.00 0.00 N ATOM 542 CA LYS A 38 22.923 30.659 35.338 1.00 0.00 C ATOM 543 C LYS A 38 23.035 31.743 36.436 1.00 0.00 C ATOM 544 O LYS A 38 24.042 32.514 36.440 1.00 0.00 O ATOM 545 CB LYS A 38 23.618 31.116 34.026 1.00 0.00 C ATOM 546 CG LYS A 38 25.147 30.983 34.051 1.00 0.00 C ATOM 547 CD LYS A 38 25.768 31.029 32.659 1.00 0.00 C ATOM 548 CE LYS A 38 27.296 30.933 32.703 1.00 0.00 C ATOM 549 NZ LYS A 38 27.860 31.035 31.336 1.00 0.00 N ATOM 550 OXT LYS A 38 22.142 31.765 37.315 1.00 0.00 O ATOM 0 H LYS A 38 20.884 31.100 35.506 1.00 0.00 H new ATOM 0 HA LYS A 38 23.443 29.746 35.628 1.00 0.00 H new ATOM 0 HB2 LYS A 38 23.226 30.529 33.196 1.00 0.00 H new ATOM 0 HB3 LYS A 38 23.357 32.156 33.832 1.00 0.00 H new ATOM 0 HG2 LYS A 38 25.567 31.785 34.658 1.00 0.00 H new ATOM 0 HG3 LYS A 38 25.417 30.044 34.533 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.371 30.210 32.059 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.478 31.956 32.164 1.00 0.00 H new ATOM 0 HE2 LYS A 38 27.699 31.729 33.330 1.00 0.00 H new ATOM 0 HE3 LYS A 38 27.594 29.988 33.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 28.897 30.968 31.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 27.489 30.261 30.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 27.590 31.948 30.916 1.00 0.00 H new TER 564 LYS A 38