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+ -152:sc= 0.326 (180deg=0.0559) USER MOD Single : A 3 TYR OH : rot -63:sc= 0.123 USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= -0.0328 (180deg=-0.222) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0922) USER MOD Single : A 8 GLN : amide:sc= -0.226 K(o=-0.23,f=-1) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0096 X(o=-0.0096,f=-0.14) USER MOD Single : A 15 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0141 X(o=-0.014,f=-0.29) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0625 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= -0.245 (180deg=-0.246) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0115 K(o=-0.012,f=-0.84) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.430 6.975 6.736 1.00 0.00 N ATOM 2 CA GLU A 1 -15.322 7.610 5.402 1.00 0.00 C ATOM 3 C GLU A 1 -14.210 6.781 4.812 1.00 0.00 C ATOM 4 O GLU A 1 -14.198 5.577 5.074 1.00 0.00 O ATOM 5 CB GLU A 1 -15.113 9.152 5.554 1.00 0.00 C ATOM 6 CG GLU A 1 -15.635 10.015 4.380 1.00 0.00 C ATOM 7 CD GLU A 1 -14.669 10.014 3.209 1.00 0.00 C ATOM 8 OE1 GLU A 1 -13.442 9.917 3.485 1.00 0.00 O ATOM 9 OE2 GLU A 1 -15.134 10.056 2.046 1.00 0.00 O ATOM 0 H1 GLU A 1 -16.402 7.076 7.091 1.00 0.00 H new ATOM 0 H2 GLU A 1 -15.193 5.965 6.660 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.771 7.437 7.395 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.190 7.602 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -15.606 9.479 6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -14.048 9.346 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.604 9.637 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -15.791 11.038 4.722 1.00 0.00 H new ATOM 18 N ALA A 2 -13.244 7.361 4.061 1.00 0.00 N ATOM 19 CA ALA A 2 -12.171 6.670 3.390 1.00 0.00 C ATOM 20 C ALA A 2 -10.894 6.945 4.139 1.00 0.00 C ATOM 21 O ALA A 2 -10.805 7.833 4.986 1.00 0.00 O ATOM 22 CB ALA A 2 -12.003 7.154 1.921 1.00 0.00 C ATOM 0 H ALA A 2 -13.210 8.370 3.914 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.403 5.605 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.185 6.609 1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.925 6.971 1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.781 8.221 1.913 1.00 0.00 H new ATOM 28 N TYR A 3 -9.868 6.152 3.795 1.00 0.00 N ATOM 29 CA TYR A 3 -8.505 6.252 4.259 1.00 0.00 C ATOM 30 C TYR A 3 -7.756 5.503 3.185 1.00 0.00 C ATOM 31 O TYR A 3 -8.125 4.382 2.838 1.00 0.00 O ATOM 32 CB TYR A 3 -8.251 5.630 5.689 1.00 0.00 C ATOM 33 CG TYR A 3 -6.787 5.419 6.058 1.00 0.00 C ATOM 34 CD1 TYR A 3 -5.840 6.460 5.957 1.00 0.00 C ATOM 35 CD2 TYR A 3 -6.332 4.131 6.391 1.00 0.00 C ATOM 36 CE1 TYR A 3 -4.472 6.203 6.136 1.00 0.00 C ATOM 37 CE2 TYR A 3 -4.966 3.869 6.578 1.00 0.00 C ATOM 38 CZ TYR A 3 -4.035 4.906 6.448 1.00 0.00 C ATOM 39 OH TYR A 3 -2.656 4.643 6.614 1.00 0.00 O ATOM 0 H TYR A 3 -9.993 5.378 3.142 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.195 7.288 4.398 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.707 6.280 6.436 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -8.765 4.670 5.746 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.171 7.465 5.740 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.046 3.329 6.505 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.755 7.004 6.034 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.634 2.870 6.821 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.186 4.818 5.772 1.00 0.00 H new ATOM 49 N LYS A 4 -6.652 6.110 2.688 1.00 0.00 N ATOM 50 CA LYS A 4 -5.633 5.454 1.912 1.00 0.00 C ATOM 51 C LYS A 4 -4.540 6.488 1.799 1.00 0.00 C ATOM 52 O LYS A 4 -4.623 7.394 0.976 1.00 0.00 O ATOM 53 CB LYS A 4 -6.093 4.961 0.505 1.00 0.00 C ATOM 54 CG LYS A 4 -5.106 4.009 -0.171 1.00 0.00 C ATOM 55 CD LYS A 4 -5.732 3.234 -1.339 1.00 0.00 C ATOM 56 CE LYS A 4 -4.798 2.189 -1.967 1.00 0.00 C ATOM 57 NZ LYS A 4 -4.374 1.182 -0.958 1.00 0.00 N ATOM 0 H LYS A 4 -6.463 7.102 2.834 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.321 4.531 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.056 4.460 0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.248 5.826 -0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.251 4.578 -0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.727 3.302 0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.635 2.735 -0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.038 3.942 -2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.306 1.691 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.921 2.683 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.932 0.373 -1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.689 1.613 -0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.204 0.855 -0.424 1.00 0.00 H new ATOM 71 N LYS A 5 -3.477 6.400 2.632 1.00 0.00 N ATOM 72 CA LYS A 5 -2.301 7.240 2.561 1.00 0.00 C ATOM 73 C LYS A 5 -1.275 6.235 2.986 1.00 0.00 C ATOM 74 O LYS A 5 -1.631 5.291 3.688 1.00 0.00 O ATOM 75 CB LYS A 5 -2.255 8.508 3.489 1.00 0.00 C ATOM 76 CG LYS A 5 -3.014 9.744 2.953 1.00 0.00 C ATOM 77 CD LYS A 5 -4.473 9.891 3.428 1.00 0.00 C ATOM 78 CE LYS A 5 -5.319 10.882 2.597 1.00 0.00 C ATOM 79 NZ LYS A 5 -4.824 12.287 2.716 1.00 0.00 N ATOM 0 H LYS A 5 -3.431 5.716 3.388 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.197 7.711 1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.668 8.242 4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.213 8.783 3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.465 10.639 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.008 9.707 1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.951 8.912 3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.472 10.216 4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.303 10.581 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.357 10.835 2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.422 12.915 2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.863 12.586 3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.842 12.339 2.377 1.00 0.00 H new ATOM 93 N ALA A 6 -0.020 6.381 2.485 1.00 0.00 N ATOM 94 CA ALA A 6 1.125 5.545 2.793 1.00 0.00 C ATOM 95 C ALA A 6 1.935 6.069 3.960 1.00 0.00 C ATOM 96 O ALA A 6 2.609 5.302 4.636 1.00 0.00 O ATOM 97 CB ALA A 6 2.068 5.390 1.571 1.00 0.00 C ATOM 0 H ALA A 6 0.210 7.125 1.827 1.00 0.00 H new ATOM 0 HA ALA A 6 0.708 4.575 3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.913 4.757 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.522 4.933 0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.432 6.371 1.266 1.00 0.00 H new ATOM 103 N LYS A 7 1.932 7.415 4.172 1.00 0.00 N ATOM 104 CA LYS A 7 2.723 8.106 5.181 1.00 0.00 C ATOM 105 C LYS A 7 1.819 8.403 6.354 1.00 0.00 C ATOM 106 O LYS A 7 2.049 7.904 7.452 1.00 0.00 O ATOM 107 CB LYS A 7 3.389 9.412 4.623 1.00 0.00 C ATOM 108 CG LYS A 7 4.651 9.876 5.378 1.00 0.00 C ATOM 109 CD LYS A 7 5.921 9.058 5.059 1.00 0.00 C ATOM 110 CE LYS A 7 6.818 9.628 3.938 1.00 0.00 C ATOM 111 NZ LYS A 7 7.430 10.930 4.327 1.00 0.00 N ATOM 0 H LYS A 7 1.356 8.050 3.619 1.00 0.00 H new ATOM 0 HA LYS A 7 3.549 7.467 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.649 9.250 3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.653 10.216 4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.838 10.923 5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.459 9.823 6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.516 8.975 5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.621 8.048 4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.606 8.912 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.227 9.760 3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.163 11.189 3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.696 11.667 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.858 10.844 5.271 1.00 0.00 H new ATOM 125 N GLN A 8 0.785 9.246 6.082 1.00 0.00 N ATOM 126 CA GLN A 8 -0.350 9.657 6.887 1.00 0.00 C ATOM 127 C GLN A 8 -0.082 11.070 7.374 1.00 0.00 C ATOM 128 O GLN A 8 0.989 11.385 7.885 1.00 0.00 O ATOM 129 CB GLN A 8 -0.829 8.640 7.966 1.00 0.00 C ATOM 130 CG GLN A 8 -2.220 8.894 8.596 1.00 0.00 C ATOM 131 CD GLN A 8 -2.797 7.629 9.252 1.00 0.00 C ATOM 132 OE1 GLN A 8 -3.907 7.264 8.870 1.00 0.00 O ATOM 133 NE2 GLN A 8 -2.108 6.960 10.215 1.00 0.00 N ATOM 0 H GLN A 8 0.744 9.700 5.169 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.241 9.664 6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.836 7.647 7.517 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.091 8.623 8.768 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.141 9.685 9.342 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.907 9.249 7.827 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.189 7.291 10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -2.510 6.127 10.644 1.00 0.00 H new ATOM 142 N ALA A 9 -1.061 12.002 7.201 1.00 0.00 N ATOM 143 CA ALA A 9 -0.938 13.427 7.505 1.00 0.00 C ATOM 144 C ALA A 9 -1.596 13.702 8.840 1.00 0.00 C ATOM 145 O ALA A 9 -2.411 14.604 9.012 1.00 0.00 O ATOM 146 CB ALA A 9 -1.558 14.321 6.400 1.00 0.00 C ATOM 0 H ALA A 9 -1.981 11.758 6.834 1.00 0.00 H new ATOM 0 HA ALA A 9 0.122 13.677 7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.441 15.370 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.051 14.133 5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.618 14.089 6.296 1.00 0.00 H new ATOM 152 N SER A 10 -1.213 12.863 9.818 1.00 0.00 N ATOM 153 CA SER A 10 -1.633 12.840 11.197 1.00 0.00 C ATOM 154 C SER A 10 -0.309 12.782 11.914 1.00 0.00 C ATOM 155 O SER A 10 0.684 13.287 11.381 1.00 0.00 O ATOM 156 CB SER A 10 -2.540 11.605 11.518 1.00 0.00 C ATOM 157 OG SER A 10 -3.624 11.532 10.596 1.00 0.00 O ATOM 0 H SER A 10 -0.539 12.122 9.627 1.00 0.00 H new ATOM 0 HA SER A 10 -2.252 13.690 11.486 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.950 10.690 11.469 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.924 11.682 12.535 1.00 0.00 H new ATOM 0 HG SER A 10 -4.182 10.754 10.808 1.00 0.00 H new ATOM 163 N GLN A 11 -0.210 12.087 13.086 1.00 0.00 N ATOM 164 CA GLN A 11 0.932 12.025 13.999 1.00 0.00 C ATOM 165 C GLN A 11 2.190 11.404 13.405 1.00 0.00 C ATOM 166 O GLN A 11 3.307 11.645 13.837 1.00 0.00 O ATOM 167 CB GLN A 11 0.587 11.342 15.356 1.00 0.00 C ATOM 168 CG GLN A 11 0.120 9.864 15.286 1.00 0.00 C ATOM 169 CD GLN A 11 0.278 9.272 16.681 1.00 0.00 C ATOM 170 OE1 GLN A 11 1.424 9.133 17.103 1.00 0.00 O ATOM 171 NE2 GLN A 11 -0.799 8.933 17.434 1.00 0.00 N ATOM 0 H GLN A 11 -0.989 11.523 13.425 1.00 0.00 H new ATOM 0 HA GLN A 11 1.162 13.074 14.185 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.467 11.392 15.997 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.195 11.925 15.842 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.918 9.804 14.959 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.715 9.307 14.562 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.741 9.057 17.062 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.667 8.554 18.372 1.00 0.00 H new ATOM 180 N ASP A 12 2.045 10.647 12.298 1.00 0.00 N ATOM 181 CA ASP A 12 3.118 9.997 11.569 1.00 0.00 C ATOM 182 C ASP A 12 3.752 10.904 10.527 1.00 0.00 C ATOM 183 O ASP A 12 4.739 10.550 9.880 1.00 0.00 O ATOM 184 CB ASP A 12 2.538 8.790 10.771 1.00 0.00 C ATOM 185 CG ASP A 12 1.894 7.740 11.674 1.00 0.00 C ATOM 186 OD1 ASP A 12 2.637 6.939 12.305 1.00 0.00 O ATOM 187 OD2 ASP A 12 0.625 7.770 11.762 1.00 0.00 O ATOM 0 H ASP A 12 1.130 10.474 11.881 1.00 0.00 H new ATOM 0 HA ASP A 12 3.861 9.708 12.312 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.798 9.153 10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.336 8.325 10.192 1.00 0.00 H new ATOM 192 N ALA A 13 3.216 12.135 10.372 1.00 0.00 N ATOM 193 CA ALA A 13 3.943 13.228 9.757 1.00 0.00 C ATOM 194 C ALA A 13 4.186 14.242 10.834 1.00 0.00 C ATOM 195 O ALA A 13 5.264 14.829 10.879 1.00 0.00 O ATOM 196 CB ALA A 13 3.215 13.883 8.561 1.00 0.00 C ATOM 0 H ALA A 13 2.273 12.381 10.673 1.00 0.00 H new ATOM 0 HA ALA A 13 4.868 12.833 9.336 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.828 14.691 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.046 13.137 7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.258 14.284 8.893 1.00 0.00 H new ATOM 202 N GLU A 14 3.178 14.458 11.725 1.00 0.00 N ATOM 203 CA GLU A 14 3.100 15.531 12.708 1.00 0.00 C ATOM 204 C GLU A 14 4.013 15.369 13.921 1.00 0.00 C ATOM 205 O GLU A 14 4.452 16.366 14.486 1.00 0.00 O ATOM 206 CB GLU A 14 1.631 15.766 13.176 1.00 0.00 C ATOM 207 CG GLU A 14 1.315 17.151 13.769 1.00 0.00 C ATOM 208 CD GLU A 14 -0.108 17.163 14.329 1.00 0.00 C ATOM 209 OE1 GLU A 14 -0.315 16.440 15.341 1.00 0.00 O ATOM 210 OE2 GLU A 14 -0.996 17.872 13.784 1.00 0.00 O ATOM 0 H GLU A 14 2.364 13.845 11.763 1.00 0.00 H new ATOM 0 HA GLU A 14 3.468 16.408 12.176 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.971 15.600 12.325 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.385 15.011 13.922 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.028 17.390 14.558 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.420 17.918 13.001 1.00 0.00 H new ATOM 217 N GLN A 15 4.404 14.125 14.349 1.00 0.00 N ATOM 218 CA GLN A 15 5.259 13.875 15.519 1.00 0.00 C ATOM 219 C GLN A 15 6.710 14.220 15.219 1.00 0.00 C ATOM 220 O GLN A 15 7.450 14.675 16.089 1.00 0.00 O ATOM 221 CB GLN A 15 5.184 12.400 16.049 1.00 0.00 C ATOM 222 CG GLN A 15 5.658 12.162 17.511 1.00 0.00 C ATOM 223 CD GLN A 15 4.667 12.786 18.504 1.00 0.00 C ATOM 224 OE1 GLN A 15 3.477 12.843 18.202 1.00 0.00 O ATOM 225 NE2 GLN A 15 5.118 13.289 19.685 1.00 0.00 N ATOM 0 H GLN A 15 4.121 13.269 13.872 1.00 0.00 H new ATOM 0 HA GLN A 15 4.871 14.525 16.303 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.152 12.060 15.966 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.782 11.770 15.390 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.748 11.092 17.701 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.648 12.596 17.654 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.109 13.232 19.918 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.465 13.723 20.337 1.00 0.00 H new ATOM 234 N ALA A 16 7.085 14.102 13.914 1.00 0.00 N ATOM 235 CA ALA A 16 8.398 14.399 13.357 1.00 0.00 C ATOM 236 C ALA A 16 8.584 15.859 12.965 1.00 0.00 C ATOM 237 O ALA A 16 9.678 16.264 12.585 1.00 0.00 O ATOM 238 CB ALA A 16 8.682 13.524 12.110 1.00 0.00 C ATOM 0 H ALA A 16 6.431 13.779 13.201 1.00 0.00 H new ATOM 0 HA ALA A 16 9.101 14.175 14.159 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.668 13.765 11.713 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.651 12.471 12.390 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.927 13.720 11.349 1.00 0.00 H new ATOM 244 N ALA A 17 7.499 16.683 13.038 1.00 0.00 N ATOM 245 CA ALA A 17 7.571 18.146 13.014 1.00 0.00 C ATOM 246 C ALA A 17 7.678 18.703 14.413 1.00 0.00 C ATOM 247 O ALA A 17 8.264 19.755 14.663 1.00 0.00 O ATOM 248 CB ALA A 17 6.361 18.817 12.325 1.00 0.00 C ATOM 0 H ALA A 17 6.545 16.330 13.116 1.00 0.00 H new ATOM 0 HA ALA A 17 8.463 18.375 12.431 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.485 19.900 12.346 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.298 18.479 11.291 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.446 18.546 12.852 1.00 0.00 H new ATOM 254 N LYS A 18 7.076 17.976 15.396 1.00 0.00 N ATOM 255 CA LYS A 18 6.762 18.459 16.732 1.00 0.00 C ATOM 256 C LYS A 18 7.986 18.448 17.614 1.00 0.00 C ATOM 257 O LYS A 18 8.054 19.183 18.590 1.00 0.00 O ATOM 258 CB LYS A 18 5.619 17.646 17.427 1.00 0.00 C ATOM 259 CG LYS A 18 4.844 18.399 18.531 1.00 0.00 C ATOM 260 CD LYS A 18 3.832 17.489 19.264 1.00 0.00 C ATOM 261 CE LYS A 18 2.716 18.203 20.056 1.00 0.00 C ATOM 262 NZ LYS A 18 1.672 18.796 19.165 1.00 0.00 N ATOM 0 H LYS A 18 6.794 17.006 15.254 1.00 0.00 H new ATOM 0 HA LYS A 18 6.408 19.482 16.601 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.910 17.325 16.664 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.051 16.744 17.861 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.551 18.808 19.253 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.316 19.244 18.089 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.364 16.836 18.528 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.384 16.849 19.953 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.247 17.493 20.737 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.156 18.990 20.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.946 19.264 19.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.112 19.494 18.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.231 18.044 18.598 1.00 0.00 H new ATOM 276 N ASP A 19 9.026 17.645 17.250 1.00 0.00 N ATOM 277 CA ASP A 19 10.279 17.535 17.994 1.00 0.00 C ATOM 278 C ASP A 19 11.311 18.550 17.509 1.00 0.00 C ATOM 279 O ASP A 19 12.383 18.716 18.084 1.00 0.00 O ATOM 280 CB ASP A 19 10.832 16.074 17.987 1.00 0.00 C ATOM 281 CG ASP A 19 11.514 15.719 19.315 1.00 0.00 C ATOM 282 OD1 ASP A 19 10.801 15.870 20.348 1.00 0.00 O ATOM 283 OD2 ASP A 19 12.683 15.242 19.315 1.00 0.00 O ATOM 0 H ASP A 19 9.000 17.055 16.418 1.00 0.00 H new ATOM 0 HA ASP A 19 10.063 17.779 19.034 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.015 15.377 17.799 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.544 15.958 17.170 1.00 0.00 H new ATOM 288 N ALA A 20 10.954 19.322 16.443 1.00 0.00 N ATOM 289 CA ALA A 20 11.654 20.498 15.945 1.00 0.00 C ATOM 290 C ALA A 20 11.138 21.782 16.582 1.00 0.00 C ATOM 291 O ALA A 20 11.922 22.683 16.867 1.00 0.00 O ATOM 292 CB ALA A 20 11.608 20.590 14.399 1.00 0.00 C ATOM 0 H ALA A 20 10.122 19.112 15.892 1.00 0.00 H new ATOM 0 HA ALA A 20 12.698 20.382 16.237 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.142 21.482 14.072 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.078 19.706 13.968 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.571 20.647 14.069 1.00 0.00 H new ATOM 298 N GLU A 21 9.793 21.878 16.832 1.00 0.00 N ATOM 299 CA GLU A 21 9.090 23.004 17.458 1.00 0.00 C ATOM 300 C GLU A 21 9.183 22.946 18.989 1.00 0.00 C ATOM 301 O GLU A 21 9.199 23.981 19.662 1.00 0.00 O ATOM 302 CB GLU A 21 7.581 23.090 17.034 1.00 0.00 C ATOM 303 CG GLU A 21 7.310 23.395 15.530 1.00 0.00 C ATOM 304 CD GLU A 21 5.829 23.128 15.190 1.00 0.00 C ATOM 305 OE1 GLU A 21 5.432 21.963 15.480 1.00 0.00 O ATOM 306 OE2 GLU A 21 5.102 24.029 14.677 1.00 0.00 O ATOM 0 H GLU A 21 9.154 21.123 16.582 1.00 0.00 H new ATOM 0 HA GLU A 21 9.594 23.901 17.098 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.099 22.145 17.285 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.099 23.863 17.633 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.559 24.433 15.311 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.952 22.775 14.904 1.00 0.00 H new ATOM 313 N ASN A 22 9.343 21.705 19.567 1.00 0.00 N ATOM 314 CA ASN A 22 9.586 21.405 20.998 1.00 0.00 C ATOM 315 C ASN A 22 10.909 21.944 21.552 1.00 0.00 C ATOM 316 O ASN A 22 11.051 22.104 22.763 1.00 0.00 O ATOM 317 CB ASN A 22 9.545 19.872 21.378 1.00 0.00 C ATOM 318 CG ASN A 22 8.154 19.410 21.826 1.00 0.00 C ATOM 319 OD1 ASN A 22 7.503 20.080 22.630 1.00 0.00 O ATOM 320 ND2 ASN A 22 7.687 18.226 21.363 1.00 0.00 N ATOM 0 H ASN A 22 9.301 20.855 19.005 1.00 0.00 H new ATOM 0 HA ASN A 22 8.743 21.926 21.453 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.860 19.280 20.519 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.262 19.681 22.177 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.783 17.875 21.679 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.239 17.685 20.698 1.00 0.00 H new ATOM 327 N ALA A 23 11.877 22.300 20.660 1.00 0.00 N ATOM 328 CA ALA A 23 13.202 22.828 21.007 1.00 0.00 C ATOM 329 C ALA A 23 13.160 24.268 21.501 1.00 0.00 C ATOM 330 O ALA A 23 13.934 24.693 22.359 1.00 0.00 O ATOM 331 CB ALA A 23 14.183 22.764 19.807 1.00 0.00 C ATOM 0 H ALA A 23 11.739 22.220 19.653 1.00 0.00 H new ATOM 0 HA ALA A 23 13.553 22.186 21.815 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.151 23.164 20.107 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.301 21.728 19.489 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.786 23.354 18.981 1.00 0.00 H new ATOM 337 N SER A 24 12.194 25.053 20.968 1.00 0.00 N ATOM 338 CA SER A 24 11.875 26.411 21.363 1.00 0.00 C ATOM 339 C SER A 24 10.816 26.461 22.457 1.00 0.00 C ATOM 340 O SER A 24 10.519 27.523 22.992 1.00 0.00 O ATOM 341 CB SER A 24 11.428 27.240 20.113 1.00 0.00 C ATOM 342 OG SER A 24 10.829 26.430 19.095 1.00 0.00 O ATOM 0 H SER A 24 11.595 24.722 20.212 1.00 0.00 H new ATOM 0 HA SER A 24 12.778 26.855 21.782 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.718 28.006 20.426 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.293 27.757 19.697 1.00 0.00 H new ATOM 0 HG SER A 24 10.567 26.996 18.339 1.00 0.00 H new ATOM 348 N LYS A 25 10.198 25.313 22.848 1.00 0.00 N ATOM 349 CA LYS A 25 9.074 25.244 23.764 1.00 0.00 C ATOM 350 C LYS A 25 9.532 25.102 25.194 1.00 0.00 C ATOM 351 O LYS A 25 8.818 25.485 26.126 1.00 0.00 O ATOM 352 CB LYS A 25 8.168 24.038 23.398 1.00 0.00 C ATOM 353 CG LYS A 25 6.973 23.756 24.318 1.00 0.00 C ATOM 354 CD LYS A 25 7.278 22.714 25.412 1.00 0.00 C ATOM 355 CE LYS A 25 6.241 22.747 26.539 1.00 0.00 C ATOM 356 NZ LYS A 25 6.419 24.001 27.327 1.00 0.00 N ATOM 0 H LYS A 25 10.492 24.396 22.513 1.00 0.00 H new ATOM 0 HA LYS A 25 8.515 26.175 23.672 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.788 24.195 22.389 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.791 23.144 23.369 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.659 24.687 24.790 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.135 23.406 23.716 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.300 21.718 24.969 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.269 22.901 25.825 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.234 22.702 26.125 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.359 21.877 27.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.612 24.124 27.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.297 23.941 27.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.472 24.813 26.680 1.00 0.00 H new ATOM 370 N GLU A 26 10.741 24.484 25.398 1.00 0.00 N ATOM 371 CA GLU A 26 11.341 24.122 26.686 1.00 0.00 C ATOM 372 C GLU A 26 11.811 25.337 27.469 1.00 0.00 C ATOM 373 O GLU A 26 11.979 25.306 28.683 1.00 0.00 O ATOM 374 CB GLU A 26 12.503 23.090 26.509 1.00 0.00 C ATOM 375 CG GLU A 26 13.776 23.575 25.768 1.00 0.00 C ATOM 376 CD GLU A 26 14.877 24.084 26.719 1.00 0.00 C ATOM 377 OE1 GLU A 26 15.575 23.234 27.342 1.00 0.00 O ATOM 378 OE2 GLU A 26 15.048 25.333 26.797 1.00 0.00 O ATOM 0 H GLU A 26 11.338 24.220 24.614 1.00 0.00 H new ATOM 0 HA GLU A 26 10.552 23.648 27.270 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.800 22.743 27.499 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.109 22.226 25.973 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.173 22.756 25.168 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.504 24.373 25.077 1.00 0.00 H new ATOM 385 N ALA A 27 11.893 26.485 26.743 1.00 0.00 N ATOM 386 CA ALA A 27 12.304 27.819 27.129 1.00 0.00 C ATOM 387 C ALA A 27 11.239 28.596 27.897 1.00 0.00 C ATOM 388 O ALA A 27 11.445 29.760 28.242 1.00 0.00 O ATOM 389 CB ALA A 27 12.732 28.663 25.898 1.00 0.00 C ATOM 0 H ALA A 27 11.636 26.470 25.756 1.00 0.00 H new ATOM 0 HA ALA A 27 13.151 27.661 27.796 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.034 29.658 26.226 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.569 28.177 25.397 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.894 28.748 25.206 1.00 0.00 H new ATOM 395 N GLU A 28 10.080 27.945 28.191 1.00 0.00 N ATOM 396 CA GLU A 28 9.020 28.382 29.091 1.00 0.00 C ATOM 397 C GLU A 28 9.257 27.880 30.493 1.00 0.00 C ATOM 398 O GLU A 28 9.286 28.642 31.459 1.00 0.00 O ATOM 399 CB GLU A 28 7.624 27.946 28.572 1.00 0.00 C ATOM 400 CG GLU A 28 7.198 28.774 27.351 1.00 0.00 C ATOM 401 CD GLU A 28 6.803 30.160 27.859 1.00 0.00 C ATOM 402 OE1 GLU A 28 7.702 30.995 28.145 1.00 0.00 O ATOM 403 OE2 GLU A 28 5.571 30.390 27.995 1.00 0.00 O ATOM 0 H GLU A 28 9.865 27.042 27.768 1.00 0.00 H new ATOM 0 HA GLU A 28 9.038 29.472 29.117 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.646 26.889 28.307 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.887 28.060 29.366 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.014 28.846 26.632 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.362 28.300 26.838 1.00 0.00 H new ATOM 410 N GLU A 29 9.541 26.551 30.635 1.00 0.00 N ATOM 411 CA GLU A 29 9.929 25.827 31.837 1.00 0.00 C ATOM 412 C GLU A 29 11.344 26.203 32.237 1.00 0.00 C ATOM 413 O GLU A 29 11.697 26.201 33.409 1.00 0.00 O ATOM 414 CB GLU A 29 9.843 24.278 31.638 1.00 0.00 C ATOM 415 CG GLU A 29 8.421 23.681 31.476 1.00 0.00 C ATOM 416 CD GLU A 29 7.753 23.966 30.132 1.00 0.00 C ATOM 417 OE1 GLU A 29 7.981 23.196 29.161 1.00 0.00 O ATOM 418 OE2 GLU A 29 6.944 24.917 30.003 1.00 0.00 O ATOM 0 H GLU A 29 9.494 25.926 29.830 1.00 0.00 H new ATOM 0 HA GLU A 29 9.230 26.108 32.625 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.427 24.014 30.756 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.320 23.797 32.492 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.478 22.601 31.615 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.786 24.072 32.271 1.00 0.00 H new ATOM 425 N ALA A 30 12.143 26.707 31.257 1.00 0.00 N ATOM 426 CA ALA A 30 13.476 27.261 31.447 1.00 0.00 C ATOM 427 C ALA A 30 13.510 28.657 32.058 1.00 0.00 C ATOM 428 O ALA A 30 14.546 29.307 32.026 1.00 0.00 O ATOM 429 CB ALA A 30 14.308 27.311 30.135 1.00 0.00 C ATOM 0 H ALA A 30 11.847 26.731 30.281 1.00 0.00 H new ATOM 0 HA ALA A 30 13.918 26.560 32.155 1.00 0.00 H new ATOM 0 HB1 ALA A 30 15.291 27.734 30.343 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.423 26.302 29.739 1.00 0.00 H new ATOM 0 HB3 ALA A 30 13.794 27.932 29.402 1.00 0.00 H new ATOM 435 N ALA A 31 12.398 29.125 32.703 1.00 0.00 N ATOM 436 CA ALA A 31 12.376 30.212 33.679 1.00 0.00 C ATOM 437 C ALA A 31 12.572 29.678 35.095 1.00 0.00 C ATOM 438 O ALA A 31 12.528 30.418 36.079 1.00 0.00 O ATOM 439 CB ALA A 31 11.063 31.034 33.578 1.00 0.00 C ATOM 0 H ALA A 31 11.473 28.729 32.538 1.00 0.00 H new ATOM 0 HA ALA A 31 13.206 30.879 33.449 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.077 31.835 34.317 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.978 31.463 32.580 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.210 30.382 33.766 1.00 0.00 H new ATOM 445 N LYS A 32 12.802 28.346 35.199 1.00 0.00 N ATOM 446 CA LYS A 32 13.101 27.594 36.399 1.00 0.00 C ATOM 447 C LYS A 32 14.502 27.023 36.333 1.00 0.00 C ATOM 448 O LYS A 32 15.463 27.698 36.713 1.00 0.00 O ATOM 449 CB LYS A 32 12.021 26.513 36.639 1.00 0.00 C ATOM 450 CG LYS A 32 10.932 27.032 37.570 1.00 0.00 C ATOM 451 CD LYS A 32 9.635 26.235 37.453 1.00 0.00 C ATOM 452 CE LYS A 32 8.547 26.796 38.374 1.00 0.00 C ATOM 453 NZ LYS A 32 7.279 26.039 38.246 1.00 0.00 N ATOM 0 H LYS A 32 12.777 27.744 34.376 1.00 0.00 H new ATOM 0 HA LYS A 32 13.077 28.262 37.260 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.581 26.215 35.687 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.480 25.623 37.070 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.288 26.991 38.599 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.733 28.079 37.343 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.286 26.256 36.421 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.824 25.191 37.705 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.890 26.759 39.408 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.371 27.845 38.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.566 26.446 38.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.939 26.095 37.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.442 25.044 38.500 1.00 0.00 H new ATOM 467 N GLU A 33 14.697 25.756 35.860 1.00 0.00 N ATOM 468 CA GLU A 33 15.831 24.884 36.168 1.00 0.00 C ATOM 469 C GLU A 33 17.099 25.228 35.414 1.00 0.00 C ATOM 470 O GLU A 33 18.187 24.798 35.771 1.00 0.00 O ATOM 471 CB GLU A 33 15.510 23.363 35.950 1.00 0.00 C ATOM 472 CG GLU A 33 14.166 22.893 36.562 1.00 0.00 C ATOM 473 CD GLU A 33 12.982 23.222 35.656 1.00 0.00 C ATOM 474 OE1 GLU A 33 13.216 23.903 34.623 1.00 0.00 O ATOM 475 OE2 GLU A 33 11.836 22.804 35.970 1.00 0.00 O ATOM 0 H GLU A 33 14.030 25.313 35.229 1.00 0.00 H new ATOM 0 HA GLU A 33 16.009 25.067 37.228 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.498 23.157 34.880 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.317 22.770 36.380 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.202 21.818 36.736 1.00 0.00 H new ATOM 0 HG3 GLU A 33 14.023 23.368 37.533 1.00 0.00 H new ATOM 482 N ALA A 34 16.956 26.060 34.356 1.00 0.00 N ATOM 483 CA ALA A 34 18.011 26.604 33.510 1.00 0.00 C ATOM 484 C ALA A 34 18.535 27.941 34.020 1.00 0.00 C ATOM 485 O ALA A 34 19.538 28.461 33.535 1.00 0.00 O ATOM 486 CB ALA A 34 17.507 26.805 32.061 1.00 0.00 C ATOM 0 H ALA A 34 16.034 26.382 34.062 1.00 0.00 H new ATOM 0 HA ALA A 34 18.822 25.876 33.535 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.312 27.212 31.449 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.188 25.847 31.651 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.666 27.498 32.061 1.00 0.00 H new ATOM 492 N VAL A 35 17.806 28.530 35.006 1.00 0.00 N ATOM 493 CA VAL A 35 18.033 29.862 35.550 1.00 0.00 C ATOM 494 C VAL A 35 18.512 29.711 36.973 1.00 0.00 C ATOM 495 O VAL A 35 19.578 30.205 37.339 1.00 0.00 O ATOM 496 CB VAL A 35 16.767 30.740 35.488 1.00 0.00 C ATOM 497 CG1 VAL A 35 16.911 32.121 36.181 1.00 0.00 C ATOM 498 CG2 VAL A 35 16.415 30.946 34.004 1.00 0.00 C ATOM 0 H VAL A 35 17.018 28.057 35.449 1.00 0.00 H new ATOM 0 HA VAL A 35 18.785 30.370 34.946 1.00 0.00 H new ATOM 0 HB VAL A 35 15.981 30.219 36.035 1.00 0.00 H new ATOM 0 HG11 VAL A 35 15.975 32.673 36.090 1.00 0.00 H new ATOM 0 HG12 VAL A 35 17.146 31.976 37.235 1.00 0.00 H new ATOM 0 HG13 VAL A 35 17.713 32.685 35.705 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.521 31.565 33.925 1.00 0.00 H new ATOM 0 HG22 VAL A 35 17.245 31.440 33.498 1.00 0.00 H new ATOM 0 HG23 VAL A 35 16.229 29.979 33.536 1.00 0.00 H new ATOM 508 N ASN A 36 17.696 29.056 37.833 1.00 0.00 N ATOM 509 CA ASN A 36 17.868 29.109 39.277 1.00 0.00 C ATOM 510 C ASN A 36 18.060 27.741 39.878 1.00 0.00 C ATOM 511 O ASN A 36 18.598 27.641 40.979 1.00 0.00 O ATOM 512 CB ASN A 36 16.753 29.944 39.983 1.00 0.00 C ATOM 513 CG ASN A 36 15.350 29.436 39.649 1.00 0.00 C ATOM 514 OD1 ASN A 36 15.035 28.359 40.156 1.00 0.00 O ATOM 515 ND2 ASN A 36 14.523 30.158 38.844 1.00 0.00 N ATOM 0 H ASN A 36 16.908 28.483 37.532 1.00 0.00 H new ATOM 0 HA ASN A 36 18.796 29.649 39.463 1.00 0.00 H new ATOM 0 HB2 ASN A 36 16.903 29.908 41.062 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.840 30.989 39.684 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.587 29.812 38.633 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.839 31.045 38.452 1.00 0.00 H new ATOM 522 N LEU A 37 17.614 26.659 39.179 1.00 0.00 N ATOM 523 CA LEU A 37 17.966 25.259 39.439 1.00 0.00 C ATOM 524 C LEU A 37 17.295 24.629 40.666 1.00 0.00 C ATOM 525 O LEU A 37 17.691 23.533 41.064 1.00 0.00 O ATOM 526 CB LEU A 37 19.522 24.954 39.490 1.00 0.00 C ATOM 527 CG LEU A 37 20.342 25.068 38.170 1.00 0.00 C ATOM 528 CD1 LEU A 37 20.384 26.472 37.528 1.00 0.00 C ATOM 529 CD2 LEU A 37 21.776 24.545 38.376 1.00 0.00 C ATOM 0 H LEU A 37 16.975 26.757 38.390 1.00 0.00 H new ATOM 0 HA LEU A 37 17.554 24.782 38.550 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.969 25.630 40.218 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.650 23.942 39.874 1.00 0.00 H new ATOM 0 HG LEU A 37 19.799 24.444 37.460 1.00 0.00 H new ATOM 0 HD11 LEU A 37 20.980 26.437 36.616 1.00 0.00 H new ATOM 0 HD12 LEU A 37 19.370 26.792 37.287 1.00 0.00 H new ATOM 0 HD13 LEU A 37 20.831 27.179 38.227 1.00 0.00 H new ATOM 0 HD21 LEU A 37 22.333 24.633 37.443 1.00 0.00 H new ATOM 0 HD22 LEU A 37 22.270 25.132 39.150 1.00 0.00 H new ATOM 0 HD23 LEU A 37 21.742 23.499 38.681 1.00 0.00 H new ATOM 541 N LYS A 38 16.342 25.317 41.341 1.00 0.00 N ATOM 542 CA LYS A 38 15.986 24.935 42.693 1.00 0.00 C ATOM 543 C LYS A 38 14.465 25.032 42.855 1.00 0.00 C ATOM 544 O LYS A 38 13.889 26.044 42.378 1.00 0.00 O ATOM 545 CB LYS A 38 16.657 25.898 43.692 1.00 0.00 C ATOM 546 CG LYS A 38 16.348 25.604 45.172 1.00 0.00 C ATOM 547 CD LYS A 38 16.438 26.828 46.084 1.00 0.00 C ATOM 548 CE LYS A 38 15.474 27.948 45.634 1.00 0.00 C ATOM 549 NZ LYS A 38 15.274 28.957 46.690 1.00 0.00 N ATOM 550 OXT LYS A 38 13.877 24.135 43.527 1.00 0.00 O ATOM 0 H LYS A 38 15.829 26.116 40.968 1.00 0.00 H new ATOM 0 HA LYS A 38 16.320 23.915 42.885 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.736 25.859 43.545 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.341 26.916 43.464 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.346 25.182 45.246 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.041 24.844 45.533 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.205 26.537 47.108 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.460 27.206 46.085 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.870 28.431 44.741 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.513 27.512 45.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.621 29.691 46.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.872 28.501 47.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.187 29.391 46.933 1.00 0.00 H new TER 564 LYS A 38