USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 297 hydrogens (2 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 TYR N :NH3+ -132:sc= -1.07 (180deg=-3.78!) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -146:sc= 2.16 (180deg=1.42) USER MOD Single : A 13 SER OG : rot 34:sc= 1.21 USER MOD Single : A 18 ASN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0.702 USER MOD Single : A 23 SER OG : rot 108:sc= 1.75 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0629 USER MOD Single : A 34 GLN : amide:sc= 0.0189 X(o=0.019,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 30.421 -1.467 -8.699 1.00 0.00 N ATOM 2 CA TYR A 1 29.505 -2.008 -7.668 1.00 0.00 C ATOM 3 C TYR A 1 29.530 -1.168 -6.384 1.00 0.00 C ATOM 4 O TYR A 1 28.478 -0.711 -5.933 1.00 0.00 O ATOM 5 CB TYR A 1 29.842 -3.474 -7.366 1.00 0.00 C ATOM 6 CG TYR A 1 29.392 -4.433 -8.446 1.00 0.00 C ATOM 7 CD1 TYR A 1 28.098 -4.391 -8.949 1.00 0.00 C ATOM 8 CD2 TYR A 1 30.265 -5.380 -8.966 1.00 0.00 C ATOM 9 CE1 TYR A 1 27.685 -5.264 -9.938 1.00 0.00 C ATOM 10 CE2 TYR A 1 29.862 -6.258 -9.956 1.00 0.00 C ATOM 11 CZ TYR A 1 28.571 -6.195 -10.438 1.00 0.00 C ATOM 12 OH TYR A 1 28.162 -7.069 -11.426 1.00 0.00 O ATOM 0 H1 TYR A 1 29.922 -1.408 -9.610 1.00 0.00 H new ATOM 0 H2 TYR A 1 30.740 -0.518 -8.417 1.00 0.00 H new ATOM 0 H3 TYR A 1 31.245 -2.094 -8.795 1.00 0.00 H new ATOM 0 HA TYR A 1 28.492 -1.957 -8.068 1.00 0.00 H new ATOM 0 HB2 TYR A 1 30.919 -3.570 -7.232 1.00 0.00 H new ATOM 0 HB3 TYR A 1 29.377 -3.758 -6.422 1.00 0.00 H new ATOM 0 HD1 TYR A 1 27.402 -3.663 -8.560 1.00 0.00 H new ATOM 0 HD2 TYR A 1 31.276 -5.432 -8.591 1.00 0.00 H new ATOM 0 HE1 TYR A 1 26.675 -5.217 -10.317 1.00 0.00 H new ATOM 0 HE2 TYR A 1 30.554 -6.988 -10.349 1.00 0.00 H new ATOM 0 HH TYR A 1 28.906 -7.659 -11.669 1.00 0.00 H new ATOM 24 N PRO A 2 30.711 -0.941 -5.760 1.00 0.00 N ATOM 25 CA PRO A 2 30.791 -0.138 -4.537 1.00 0.00 C ATOM 26 C PRO A 2 30.681 1.358 -4.814 1.00 0.00 C ATOM 27 O PRO A 2 31.684 2.064 -4.875 1.00 0.00 O ATOM 28 CB PRO A 2 32.172 -0.480 -3.980 1.00 0.00 C ATOM 29 CG PRO A 2 32.987 -0.809 -5.177 1.00 0.00 C ATOM 30 CD PRO A 2 32.044 -1.441 -6.167 1.00 0.00 C ATOM 0 HA PRO A 2 29.973 -0.358 -3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 2 32.597 0.360 -3.430 1.00 0.00 H new ATOM 0 HB3 PRO A 2 32.124 -1.322 -3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 2 33.446 0.088 -5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 2 33.797 -1.492 -4.921 1.00 0.00 H new ATOM 0 HD2 PRO A 2 32.285 -1.150 -7.189 1.00 0.00 H new ATOM 0 HD3 PRO A 2 32.092 -2.529 -6.126 1.00 0.00 H new ATOM 38 N ILE A 3 29.458 1.831 -5.009 1.00 0.00 N ATOM 39 CA ILE A 3 29.222 3.253 -5.201 1.00 0.00 C ATOM 40 C ILE A 3 28.275 3.796 -4.125 1.00 0.00 C ATOM 41 O ILE A 3 28.497 4.875 -3.582 1.00 0.00 O ATOM 42 CB ILE A 3 28.673 3.554 -6.616 1.00 0.00 C ATOM 43 CG1 ILE A 3 28.501 5.059 -6.821 1.00 0.00 C ATOM 44 CG2 ILE A 3 27.362 2.826 -6.848 1.00 0.00 C ATOM 45 CD1 ILE A 3 29.470 5.646 -7.821 1.00 0.00 C ATOM 0 H ILE A 3 28.618 1.253 -5.038 1.00 0.00 H new ATOM 0 HA ILE A 3 30.182 3.761 -5.106 1.00 0.00 H new ATOM 0 HB ILE A 3 29.397 3.193 -7.347 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.482 5.258 -7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.628 5.565 -5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 3 26.993 3.051 -7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.521 1.752 -6.753 1.00 0.00 H new ATOM 0 HG23 ILE A 3 26.629 3.151 -6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 3 29.290 6.717 -7.916 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.491 5.478 -7.480 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.328 5.167 -8.790 1.00 0.00 H new ATOM 57 N LYS A 4 27.236 3.026 -3.812 1.00 0.00 N ATOM 58 CA LYS A 4 26.299 3.374 -2.750 1.00 0.00 C ATOM 59 C LYS A 4 25.239 2.283 -2.603 1.00 0.00 C ATOM 60 O LYS A 4 24.090 2.476 -2.991 1.00 0.00 O ATOM 61 CB LYS A 4 25.611 4.716 -3.034 1.00 0.00 C ATOM 62 CG LYS A 4 25.243 5.481 -1.773 1.00 0.00 C ATOM 63 CD LYS A 4 23.764 5.351 -1.453 1.00 0.00 C ATOM 64 CE LYS A 4 23.535 4.882 -0.023 1.00 0.00 C ATOM 65 NZ LYS A 4 22.755 3.618 0.033 1.00 0.00 N ATOM 0 H LYS A 4 27.021 2.148 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 4 26.866 3.463 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 4 26.270 5.332 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 4 24.709 4.537 -3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 4 25.832 5.107 -0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 4 25.498 6.533 -1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 4 23.274 6.313 -1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.303 4.646 -2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.497 4.736 0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.008 5.658 0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.148 3.622 0.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.163 3.537 -0.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 23.407 2.809 0.079 1.00 0.00 H new ATOM 79 N PRO A 5 25.606 1.116 -2.054 1.00 0.00 N ATOM 80 CA PRO A 5 24.659 0.014 -1.868 1.00 0.00 C ATOM 81 C PRO A 5 23.608 0.344 -0.809 1.00 0.00 C ATOM 82 O PRO A 5 23.891 1.039 0.171 1.00 0.00 O ATOM 83 CB PRO A 5 25.540 -1.154 -1.417 1.00 0.00 C ATOM 84 CG PRO A 5 26.752 -0.517 -0.828 1.00 0.00 C ATOM 85 CD PRO A 5 26.955 0.776 -1.570 1.00 0.00 C ATOM 0 HA PRO A 5 24.096 -0.203 -2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 5 25.026 -1.777 -0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 5 25.801 -1.799 -2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 5 26.616 -0.336 0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 5 27.622 -1.166 -0.933 1.00 0.00 H new ATOM 0 HD2 PRO A 5 27.354 1.553 -0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 5 27.658 0.659 -2.394 1.00 0.00 H new ATOM 93 N GLU A 6 22.392 -0.136 -1.024 1.00 0.00 N ATOM 94 CA GLU A 6 21.296 0.100 -0.089 1.00 0.00 C ATOM 95 C GLU A 6 21.117 -1.096 0.836 1.00 0.00 C ATOM 96 O GLU A 6 20.796 -0.944 2.014 1.00 0.00 O ATOM 97 CB GLU A 6 19.992 0.356 -0.850 1.00 0.00 C ATOM 98 CG GLU A 6 20.173 1.178 -2.112 1.00 0.00 C ATOM 99 CD GLU A 6 19.859 2.643 -1.898 1.00 0.00 C ATOM 100 OE1 GLU A 6 18.671 3.020 -1.983 1.00 0.00 O ATOM 101 OE2 GLU A 6 20.799 3.418 -1.642 1.00 0.00 O ATOM 0 H GLU A 6 22.137 -0.693 -1.839 1.00 0.00 H new ATOM 0 HA GLU A 6 21.542 0.978 0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.541 -0.601 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 6 19.292 0.869 -0.191 1.00 0.00 H new ATOM 0 HG2 GLU A 6 21.200 1.077 -2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 6 19.527 0.782 -2.896 1.00 0.00 H new ATOM 108 N ALA A 7 21.344 -2.282 0.290 1.00 0.00 N ATOM 109 CA ALA A 7 21.149 -3.526 1.014 1.00 0.00 C ATOM 110 C ALA A 7 22.091 -4.588 0.442 1.00 0.00 C ATOM 111 O ALA A 7 22.807 -4.302 -0.521 1.00 0.00 O ATOM 112 CB ALA A 7 19.690 -3.959 0.903 1.00 0.00 C ATOM 0 H ALA A 7 21.669 -2.407 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 7 21.380 -3.390 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.545 -4.893 1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 7 19.048 -3.188 1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.433 -4.106 -0.146 1.00 0.00 H new ATOM 118 N PRO A 8 22.148 -5.800 1.037 1.00 0.00 N ATOM 119 CA PRO A 8 22.955 -6.904 0.500 1.00 0.00 C ATOM 120 C PRO A 8 22.464 -7.383 -0.871 1.00 0.00 C ATOM 121 O PRO A 8 21.909 -6.613 -1.656 1.00 0.00 O ATOM 122 CB PRO A 8 22.803 -8.017 1.548 1.00 0.00 C ATOM 123 CG PRO A 8 22.301 -7.336 2.774 1.00 0.00 C ATOM 124 CD PRO A 8 21.472 -6.186 2.288 1.00 0.00 C ATOM 0 HA PRO A 8 23.989 -6.599 0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 8 22.105 -8.783 1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 8 23.755 -8.513 1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 8 21.707 -8.016 3.385 1.00 0.00 H new ATOM 0 HG3 PRO A 8 23.127 -6.989 3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 8 20.437 -6.479 2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 8 21.455 -5.367 3.008 1.00 0.00 H new ATOM 132 N GLY A 9 22.656 -8.659 -1.149 1.00 0.00 N ATOM 133 CA GLY A 9 22.303 -9.187 -2.443 1.00 0.00 C ATOM 134 C GLY A 9 20.909 -9.750 -2.448 1.00 0.00 C ATOM 135 O GLY A 9 20.097 -9.383 -3.291 1.00 0.00 O ATOM 0 H GLY A 9 23.051 -9.339 -0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 9 22.381 -8.399 -3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 9 23.012 -9.966 -2.725 1.00 0.00 H new ATOM 139 N GLU A 10 20.641 -10.642 -1.501 1.00 0.00 N ATOM 140 CA GLU A 10 19.316 -11.233 -1.346 1.00 0.00 C ATOM 141 C GLU A 10 19.246 -12.047 -0.066 1.00 0.00 C ATOM 142 O GLU A 10 18.216 -12.087 0.604 1.00 0.00 O ATOM 143 CB GLU A 10 18.969 -12.133 -2.540 1.00 0.00 C ATOM 144 CG GLU A 10 17.988 -11.520 -3.531 1.00 0.00 C ATOM 145 CD GLU A 10 16.895 -10.705 -2.868 1.00 0.00 C ATOM 146 OE1 GLU A 10 17.096 -9.494 -2.655 1.00 0.00 O ATOM 147 OE2 GLU A 10 15.820 -11.270 -2.573 1.00 0.00 O ATOM 0 H GLU A 10 21.329 -10.974 -0.825 1.00 0.00 H new ATOM 0 HA GLU A 10 18.594 -10.418 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 10 19.889 -12.385 -3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.551 -13.067 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.535 -10.883 -4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.532 -12.316 -4.119 1.00 0.00 H new ATOM 154 N ASP A 11 20.352 -12.696 0.270 1.00 0.00 N ATOM 155 CA ASP A 11 20.394 -13.597 1.415 1.00 0.00 C ATOM 156 C ASP A 11 20.728 -12.851 2.696 1.00 0.00 C ATOM 157 O ASP A 11 20.098 -13.077 3.732 1.00 0.00 O ATOM 158 CB ASP A 11 21.428 -14.698 1.178 1.00 0.00 C ATOM 159 CG ASP A 11 21.380 -15.785 2.233 1.00 0.00 C ATOM 160 OD1 ASP A 11 21.792 -15.529 3.381 1.00 0.00 O ATOM 161 OD2 ASP A 11 20.936 -16.906 1.916 1.00 0.00 O ATOM 0 H ASP A 11 21.235 -12.616 -0.235 1.00 0.00 H new ATOM 0 HA ASP A 11 19.405 -14.041 1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.261 -15.142 0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 11 22.425 -14.257 1.162 1.00 0.00 H new ATOM 166 N ALA A 12 21.729 -11.972 2.610 1.00 0.00 N ATOM 167 CA ALA A 12 22.233 -11.223 3.763 1.00 0.00 C ATOM 168 C ALA A 12 22.957 -12.144 4.745 1.00 0.00 C ATOM 169 O ALA A 12 22.936 -11.922 5.957 1.00 0.00 O ATOM 170 CB ALA A 12 21.120 -10.451 4.463 1.00 0.00 C ATOM 0 H ALA A 12 22.213 -11.759 1.738 1.00 0.00 H new ATOM 0 HA ALA A 12 22.952 -10.495 3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 12 21.533 -9.908 5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 12 20.672 -9.745 3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 12 20.358 -11.148 4.813 1.00 0.00 H new ATOM 176 N SER A 13 23.591 -13.184 4.206 1.00 0.00 N ATOM 177 CA SER A 13 24.444 -14.071 4.990 1.00 0.00 C ATOM 178 C SER A 13 25.605 -13.278 5.597 1.00 0.00 C ATOM 179 O SER A 13 25.856 -12.148 5.184 1.00 0.00 O ATOM 180 CB SER A 13 24.980 -15.195 4.097 1.00 0.00 C ATOM 181 OG SER A 13 24.115 -16.317 4.119 1.00 0.00 O ATOM 0 H SER A 13 23.528 -13.433 3.219 1.00 0.00 H new ATOM 0 HA SER A 13 23.859 -14.509 5.799 1.00 0.00 H new ATOM 0 HB2 SER A 13 25.086 -14.833 3.074 1.00 0.00 H new ATOM 0 HB3 SER A 13 25.973 -15.490 4.435 1.00 0.00 H new ATOM 0 HG SER A 13 23.187 -16.013 4.208 1.00 0.00 H new ATOM 187 N PRO A 14 26.315 -13.850 6.590 1.00 0.00 N ATOM 188 CA PRO A 14 27.451 -13.200 7.253 1.00 0.00 C ATOM 189 C PRO A 14 28.373 -12.441 6.291 1.00 0.00 C ATOM 190 O PRO A 14 28.650 -11.262 6.492 1.00 0.00 O ATOM 191 CB PRO A 14 28.208 -14.363 7.916 1.00 0.00 C ATOM 192 CG PRO A 14 27.424 -15.607 7.619 1.00 0.00 C ATOM 193 CD PRO A 14 26.056 -15.168 7.173 1.00 0.00 C ATOM 0 HA PRO A 14 27.106 -12.439 7.953 1.00 0.00 H new ATOM 0 HB2 PRO A 14 29.222 -14.440 7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 14 28.294 -14.207 8.991 1.00 0.00 H new ATOM 0 HG2 PRO A 14 27.913 -16.195 6.842 1.00 0.00 H new ATOM 0 HG3 PRO A 14 27.357 -16.241 8.503 1.00 0.00 H new ATOM 0 HD2 PRO A 14 25.628 -15.856 6.444 1.00 0.00 H new ATOM 0 HD3 PRO A 14 25.357 -15.111 8.007 1.00 0.00 H new ATOM 201 N GLU A 15 28.819 -13.103 5.228 1.00 0.00 N ATOM 202 CA GLU A 15 29.753 -12.491 4.286 1.00 0.00 C ATOM 203 C GLU A 15 29.012 -11.634 3.270 1.00 0.00 C ATOM 204 O GLU A 15 29.593 -10.747 2.660 1.00 0.00 O ATOM 205 CB GLU A 15 30.588 -13.550 3.559 1.00 0.00 C ATOM 206 CG GLU A 15 29.761 -14.647 2.918 1.00 0.00 C ATOM 207 CD GLU A 15 29.508 -15.788 3.872 1.00 0.00 C ATOM 208 OE1 GLU A 15 30.402 -16.647 4.026 1.00 0.00 O ATOM 209 OE2 GLU A 15 28.430 -15.815 4.492 1.00 0.00 O ATOM 0 H GLU A 15 28.551 -14.060 4.997 1.00 0.00 H new ATOM 0 HA GLU A 15 30.427 -11.857 4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 15 31.186 -13.062 2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 15 31.284 -13.999 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 15 28.809 -14.236 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 15 30.276 -15.021 2.033 1.00 0.00 H new ATOM 216 N GLU A 16 27.726 -11.901 3.112 1.00 0.00 N ATOM 217 CA GLU A 16 26.891 -11.152 2.189 1.00 0.00 C ATOM 218 C GLU A 16 26.641 -9.758 2.744 1.00 0.00 C ATOM 219 O GLU A 16 26.858 -8.746 2.066 1.00 0.00 O ATOM 220 CB GLU A 16 25.561 -11.873 1.975 1.00 0.00 C ATOM 221 CG GLU A 16 25.281 -12.239 0.530 1.00 0.00 C ATOM 222 CD GLU A 16 24.381 -11.234 -0.156 1.00 0.00 C ATOM 223 OE1 GLU A 16 23.172 -11.184 0.170 1.00 0.00 O ATOM 224 OE2 GLU A 16 24.879 -10.489 -1.029 1.00 0.00 O ATOM 0 H GLU A 16 27.234 -12.638 3.617 1.00 0.00 H new ATOM 0 HA GLU A 16 27.404 -11.073 1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 16 25.551 -12.782 2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 16 24.753 -11.239 2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 16 26.223 -12.309 -0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 16 24.817 -13.224 0.491 1.00 0.00 H new ATOM 231 N LEU A 17 26.199 -9.711 3.996 1.00 0.00 N ATOM 232 CA LEU A 17 25.986 -8.442 4.659 1.00 0.00 C ATOM 233 C LEU A 17 27.321 -7.751 4.854 1.00 0.00 C ATOM 234 O LEU A 17 27.433 -6.559 4.618 1.00 0.00 O ATOM 235 CB LEU A 17 25.245 -8.617 5.998 1.00 0.00 C ATOM 236 CG LEU A 17 26.102 -9.023 7.201 1.00 0.00 C ATOM 237 CD1 LEU A 17 26.260 -7.854 8.164 1.00 0.00 C ATOM 238 CD2 LEU A 17 25.491 -10.222 7.913 1.00 0.00 C ATOM 0 H LEU A 17 25.985 -10.532 4.563 1.00 0.00 H new ATOM 0 HA LEU A 17 25.349 -7.820 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 17 24.744 -7.679 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 17 24.467 -9.369 5.863 1.00 0.00 H new ATOM 0 HG LEU A 17 27.090 -9.306 6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 17 26.872 -8.161 9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 17 26.743 -7.023 7.651 1.00 0.00 H new ATOM 0 HD13 LEU A 17 25.279 -7.540 8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 17 26.114 -10.496 8.765 1.00 0.00 H new ATOM 0 HD22 LEU A 17 24.491 -9.967 8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 17 25.431 -11.063 7.223 1.00 0.00 H new ATOM 250 N ASN A 18 28.339 -8.518 5.236 1.00 0.00 N ATOM 251 CA ASN A 18 29.688 -7.985 5.397 1.00 0.00 C ATOM 252 C ASN A 18 30.183 -7.386 4.086 1.00 0.00 C ATOM 253 O ASN A 18 30.824 -6.338 4.080 1.00 0.00 O ATOM 254 CB ASN A 18 30.642 -9.088 5.881 1.00 0.00 C ATOM 255 CG ASN A 18 32.060 -8.957 5.340 1.00 0.00 C ATOM 256 OD1 ASN A 18 32.828 -8.096 5.767 1.00 0.00 O ATOM 257 ND2 ASN A 18 32.423 -9.828 4.406 1.00 0.00 N ATOM 0 H ASN A 18 28.254 -9.514 5.440 1.00 0.00 H new ATOM 0 HA ASN A 18 29.664 -7.195 6.148 1.00 0.00 H new ATOM 0 HB2 ASN A 18 30.676 -9.073 6.970 1.00 0.00 H new ATOM 0 HB3 ASN A 18 30.240 -10.058 5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 18 33.366 -9.797 4.018 1.00 0.00 H new ATOM 0 HD22 ASN A 18 31.759 -10.528 4.076 1.00 0.00 H new ATOM 264 N ARG A 19 29.866 -8.051 2.976 1.00 0.00 N ATOM 265 CA ARG A 19 30.245 -7.555 1.660 1.00 0.00 C ATOM 266 C ARG A 19 29.690 -6.157 1.435 1.00 0.00 C ATOM 267 O ARG A 19 30.448 -5.197 1.291 1.00 0.00 O ATOM 268 CB ARG A 19 29.737 -8.486 0.556 1.00 0.00 C ATOM 269 CG ARG A 19 30.835 -9.145 -0.274 1.00 0.00 C ATOM 270 CD ARG A 19 32.187 -8.453 -0.125 1.00 0.00 C ATOM 271 NE ARG A 19 32.250 -7.166 -0.827 1.00 0.00 N ATOM 272 CZ ARG A 19 32.220 -7.024 -2.155 1.00 0.00 C ATOM 273 NH1 ARG A 19 32.116 -8.089 -2.947 1.00 0.00 N ATOM 274 NH2 ARG A 19 32.305 -5.812 -2.686 1.00 0.00 N ATOM 0 H ARG A 19 29.350 -8.931 2.964 1.00 0.00 H new ATOM 0 HA ARG A 19 31.334 -7.521 1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 19 29.125 -9.266 1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 19 29.088 -7.918 -0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 19 30.932 -10.189 0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 19 30.543 -9.139 -1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 19 32.394 -8.294 0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 19 32.969 -9.109 -0.508 1.00 0.00 H new ATOM 0 HE ARG A 19 32.322 -6.320 -0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 19 32.058 -9.023 -2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 19 32.094 -7.971 -3.960 1.00 0.00 H new ATOM 0 HH21 ARG A 19 32.393 -4.995 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 19 32.283 -5.696 -3.699 1.00 0.00 H new ATOM 288 N TYR A 20 28.367 -6.043 1.427 1.00 0.00 N ATOM 289 CA TYR A 20 27.713 -4.761 1.173 1.00 0.00 C ATOM 290 C TYR A 20 28.076 -3.742 2.255 1.00 0.00 C ATOM 291 O TYR A 20 28.295 -2.561 1.967 1.00 0.00 O ATOM 292 CB TYR A 20 26.186 -4.956 1.065 1.00 0.00 C ATOM 293 CG TYR A 20 25.352 -4.248 2.123 1.00 0.00 C ATOM 294 CD1 TYR A 20 25.089 -4.846 3.351 1.00 0.00 C ATOM 295 CD2 TYR A 20 24.817 -2.987 1.885 1.00 0.00 C ATOM 296 CE1 TYR A 20 24.319 -4.211 4.305 1.00 0.00 C ATOM 297 CE2 TYR A 20 24.047 -2.346 2.838 1.00 0.00 C ATOM 298 CZ TYR A 20 23.804 -2.962 4.043 1.00 0.00 C ATOM 299 OH TYR A 20 23.035 -2.330 4.991 1.00 0.00 O ATOM 0 H TYR A 20 27.726 -6.819 1.593 1.00 0.00 H new ATOM 0 HA TYR A 20 28.070 -4.365 0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 20 25.863 -4.610 0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 20 25.971 -6.023 1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 20 25.494 -5.825 3.562 1.00 0.00 H new ATOM 0 HD2 TYR A 20 25.006 -2.500 0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 20 24.122 -4.692 5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 20 23.639 -1.367 2.637 1.00 0.00 H new ATOM 0 HH TYR A 20 22.750 -1.456 4.651 1.00 0.00 H new ATOM 309 N TYR A 21 28.177 -4.220 3.487 1.00 0.00 N ATOM 310 CA TYR A 21 28.451 -3.371 4.634 1.00 0.00 C ATOM 311 C TYR A 21 29.823 -2.727 4.542 1.00 0.00 C ATOM 312 O TYR A 21 29.942 -1.502 4.522 1.00 0.00 O ATOM 313 CB TYR A 21 28.369 -4.189 5.919 1.00 0.00 C ATOM 314 CG TYR A 21 27.922 -3.394 7.106 1.00 0.00 C ATOM 315 CD1 TYR A 21 28.837 -2.707 7.882 1.00 0.00 C ATOM 316 CD2 TYR A 21 26.584 -3.326 7.444 1.00 0.00 C ATOM 317 CE1 TYR A 21 28.433 -1.969 8.968 1.00 0.00 C ATOM 318 CE2 TYR A 21 26.163 -2.588 8.526 1.00 0.00 C ATOM 319 CZ TYR A 21 27.094 -1.910 9.288 1.00 0.00 C ATOM 320 OH TYR A 21 26.683 -1.160 10.365 1.00 0.00 O ATOM 0 H TYR A 21 28.071 -5.208 3.718 1.00 0.00 H new ATOM 0 HA TYR A 21 27.700 -2.581 4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 21 27.680 -5.020 5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 21 29.348 -4.621 6.129 1.00 0.00 H new ATOM 0 HD1 TYR A 21 29.886 -2.751 7.630 1.00 0.00 H new ATOM 0 HD2 TYR A 21 25.858 -3.860 6.850 1.00 0.00 H new ATOM 0 HE1 TYR A 21 29.159 -1.439 9.566 1.00 0.00 H new ATOM 0 HE2 TYR A 21 25.114 -2.539 8.777 1.00 0.00 H new ATOM 0 HH TYR A 21 25.709 -1.223 10.455 1.00 0.00 H new ATOM 330 N ALA A 22 30.855 -3.555 4.483 1.00 0.00 N ATOM 331 CA ALA A 22 32.222 -3.068 4.509 1.00 0.00 C ATOM 332 C ALA A 22 32.554 -2.287 3.248 1.00 0.00 C ATOM 333 O ALA A 22 33.336 -1.342 3.292 1.00 0.00 O ATOM 334 CB ALA A 22 33.195 -4.215 4.717 1.00 0.00 C ATOM 0 H ALA A 22 30.769 -4.569 4.417 1.00 0.00 H new ATOM 0 HA ALA A 22 32.320 -2.384 5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 22 34.214 -3.829 4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 22 32.978 -4.709 5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 22 33.092 -4.932 3.903 1.00 0.00 H new ATOM 340 N SER A 23 31.946 -2.665 2.125 1.00 0.00 N ATOM 341 CA SER A 23 32.159 -1.936 0.882 1.00 0.00 C ATOM 342 C SER A 23 31.597 -0.520 0.989 1.00 0.00 C ATOM 343 O SER A 23 32.249 0.438 0.596 1.00 0.00 O ATOM 344 CB SER A 23 31.527 -2.668 -0.307 1.00 0.00 C ATOM 345 OG SER A 23 31.981 -4.010 -0.382 1.00 0.00 O ATOM 0 H SER A 23 31.311 -3.460 2.052 1.00 0.00 H new ATOM 0 HA SER A 23 33.234 -1.877 0.711 1.00 0.00 H new ATOM 0 HB2 SER A 23 30.441 -2.653 -0.211 1.00 0.00 H new ATOM 0 HB3 SER A 23 31.773 -2.146 -1.232 1.00 0.00 H new ATOM 0 HG SER A 23 31.258 -4.615 -0.114 1.00 0.00 H new ATOM 351 N LEU A 24 30.405 -0.392 1.563 1.00 0.00 N ATOM 352 CA LEU A 24 29.750 0.894 1.703 1.00 0.00 C ATOM 353 C LEU A 24 30.411 1.705 2.805 1.00 0.00 C ATOM 354 O LEU A 24 30.650 2.894 2.646 1.00 0.00 O ATOM 355 CB LEU A 24 28.258 0.694 1.998 1.00 0.00 C ATOM 356 CG LEU A 24 27.598 1.777 2.858 1.00 0.00 C ATOM 357 CD1 LEU A 24 26.652 2.625 2.024 1.00 0.00 C ATOM 358 CD2 LEU A 24 26.863 1.147 4.029 1.00 0.00 C ATOM 0 H LEU A 24 29.872 -1.175 1.941 1.00 0.00 H new ATOM 0 HA LEU A 24 29.848 1.445 0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 24 27.724 0.634 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 24 28.131 -0.267 2.497 1.00 0.00 H new ATOM 0 HG LEU A 24 28.379 2.428 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 24 26.195 3.387 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 24 27.208 3.106 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 24 25.874 1.991 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 24 26.399 1.929 4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 24 26.093 0.472 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 24 27.569 0.587 4.643 1.00 0.00 H new ATOM 370 N ARG A 25 30.726 1.052 3.916 1.00 0.00 N ATOM 371 CA ARG A 25 31.344 1.732 5.044 1.00 0.00 C ATOM 372 C ARG A 25 32.736 2.240 4.676 1.00 0.00 C ATOM 373 O ARG A 25 33.089 3.375 4.984 1.00 0.00 O ATOM 374 CB ARG A 25 31.423 0.800 6.256 1.00 0.00 C ATOM 375 CG ARG A 25 30.700 1.335 7.487 1.00 0.00 C ATOM 376 CD ARG A 25 29.330 1.904 7.140 1.00 0.00 C ATOM 377 NE ARG A 25 28.269 1.324 7.967 1.00 0.00 N ATOM 378 CZ ARG A 25 27.015 1.789 8.016 1.00 0.00 C ATOM 379 NH1 ARG A 25 26.671 2.860 7.314 1.00 0.00 N ATOM 380 NH2 ARG A 25 26.110 1.191 8.784 1.00 0.00 N ATOM 0 H ARG A 25 30.564 0.055 4.059 1.00 0.00 H new ATOM 0 HA ARG A 25 30.723 2.589 5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 25 30.999 -0.167 5.988 1.00 0.00 H new ATOM 0 HB3 ARG A 25 32.470 0.630 6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 25 30.586 0.534 8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 25 31.307 2.110 7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 25 29.343 2.986 7.273 1.00 0.00 H new ATOM 0 HD3 ARG A 25 29.115 1.714 6.088 1.00 0.00 H new ATOM 0 HE ARG A 25 28.501 0.514 8.542 1.00 0.00 H new ATOM 0 HH11 ARG A 25 27.363 3.333 6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 25 25.714 3.211 7.355 1.00 0.00 H new ATOM 0 HH21 ARG A 25 26.370 0.375 9.338 1.00 0.00 H new ATOM 0 HH22 ARG A 25 25.155 1.548 8.819 1.00 0.00 H new ATOM 394 N HIS A 26 33.515 1.405 3.998 1.00 0.00 N ATOM 395 CA HIS A 26 34.860 1.787 3.590 1.00 0.00 C ATOM 396 C HIS A 26 34.799 2.818 2.477 1.00 0.00 C ATOM 397 O HIS A 26 35.519 3.813 2.509 1.00 0.00 O ATOM 398 CB HIS A 26 35.660 0.568 3.129 1.00 0.00 C ATOM 399 CG HIS A 26 36.906 0.331 3.921 1.00 0.00 C ATOM 400 ND1 HIS A 26 36.913 -0.317 5.138 1.00 0.00 N ATOM 401 CD2 HIS A 26 38.193 0.655 3.664 1.00 0.00 C ATOM 402 CE1 HIS A 26 38.149 -0.381 5.592 1.00 0.00 C ATOM 403 NE2 HIS A 26 38.945 0.201 4.717 1.00 0.00 N ATOM 0 H HIS A 26 33.239 0.463 3.721 1.00 0.00 H new ATOM 0 HA HIS A 26 35.364 2.222 4.453 1.00 0.00 H new ATOM 0 HB2 HIS A 26 35.026 -0.316 3.193 1.00 0.00 H new ATOM 0 HB3 HIS A 26 35.926 0.695 2.080 1.00 0.00 H new ATOM 0 HD2 HIS A 26 38.561 1.175 2.792 1.00 0.00 H new ATOM 0 HE1 HIS A 26 38.457 -0.834 6.523 1.00 0.00 H new ATOM 0 HE2 HIS A 26 39.956 0.298 4.808 1.00 0.00 H new ATOM 412 N TYR A 27 33.925 2.581 1.499 1.00 0.00 N ATOM 413 CA TYR A 27 33.737 3.518 0.398 1.00 0.00 C ATOM 414 C TYR A 27 33.302 4.875 0.932 1.00 0.00 C ATOM 415 O TYR A 27 33.906 5.895 0.612 1.00 0.00 O ATOM 416 CB TYR A 27 32.691 2.992 -0.592 1.00 0.00 C ATOM 417 CG TYR A 27 32.687 3.707 -1.922 1.00 0.00 C ATOM 418 CD1 TYR A 27 33.838 3.775 -2.697 1.00 0.00 C ATOM 419 CD2 TYR A 27 31.533 4.312 -2.405 1.00 0.00 C ATOM 420 CE1 TYR A 27 33.842 4.428 -3.910 1.00 0.00 C ATOM 421 CE2 TYR A 27 31.528 4.964 -3.617 1.00 0.00 C ATOM 422 CZ TYR A 27 32.685 5.021 -4.367 1.00 0.00 C ATOM 423 OH TYR A 27 32.686 5.672 -5.581 1.00 0.00 O ATOM 0 H TYR A 27 33.338 1.748 1.449 1.00 0.00 H new ATOM 0 HA TYR A 27 34.688 3.625 -0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 27 32.870 1.930 -0.763 1.00 0.00 H new ATOM 0 HB3 TYR A 27 31.703 3.080 -0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 27 34.745 3.308 -2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 27 30.626 4.270 -1.820 1.00 0.00 H new ATOM 0 HE1 TYR A 27 34.746 4.475 -4.499 1.00 0.00 H new ATOM 0 HE2 TYR A 27 30.623 5.429 -3.979 1.00 0.00 H new ATOM 0 HH TYR A 27 31.793 6.034 -5.759 1.00 0.00 H new ATOM 433 N LEU A 28 32.264 4.877 1.759 1.00 0.00 N ATOM 434 CA LEU A 28 31.739 6.123 2.312 1.00 0.00 C ATOM 435 C LEU A 28 32.798 6.854 3.136 1.00 0.00 C ATOM 436 O LEU A 28 32.946 8.073 3.027 1.00 0.00 O ATOM 437 CB LEU A 28 30.498 5.861 3.172 1.00 0.00 C ATOM 438 CG LEU A 28 29.189 5.643 2.400 1.00 0.00 C ATOM 439 CD1 LEU A 28 28.038 6.351 3.095 1.00 0.00 C ATOM 440 CD2 LEU A 28 29.305 6.113 0.952 1.00 0.00 C ATOM 0 H LEU A 28 31.771 4.037 2.061 1.00 0.00 H new ATOM 0 HA LEU A 28 31.457 6.758 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 28 30.685 4.983 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 28 30.363 6.704 3.849 1.00 0.00 H new ATOM 0 HG LEU A 28 28.989 4.572 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 28 27.118 6.186 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 28 27.924 5.956 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 28 28.246 7.420 3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 28 28.359 5.943 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 28 29.542 7.177 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 28 30.096 5.556 0.451 1.00 0.00 H new ATOM 452 N ASN A 29 33.543 6.103 3.940 1.00 0.00 N ATOM 453 CA ASN A 29 34.584 6.680 4.788 1.00 0.00 C ATOM 454 C ASN A 29 35.713 7.269 3.946 1.00 0.00 C ATOM 455 O ASN A 29 36.262 8.325 4.272 1.00 0.00 O ATOM 456 CB ASN A 29 35.144 5.625 5.742 1.00 0.00 C ATOM 457 CG ASN A 29 35.984 6.230 6.854 1.00 0.00 C ATOM 458 OD1 ASN A 29 37.218 6.178 6.819 1.00 0.00 O ATOM 459 ND2 ASN A 29 35.328 6.809 7.849 1.00 0.00 N ATOM 0 H ASN A 29 33.446 5.091 4.023 1.00 0.00 H new ATOM 0 HA ASN A 29 34.132 7.483 5.371 1.00 0.00 H new ATOM 0 HB2 ASN A 29 34.320 5.062 6.180 1.00 0.00 H new ATOM 0 HB3 ASN A 29 35.750 4.916 5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 29 35.843 7.232 8.621 1.00 0.00 H new ATOM 0 HD22 ASN A 29 34.308 6.832 7.842 1.00 0.00 H new ATOM 466 N LEU A 30 36.054 6.584 2.861 1.00 0.00 N ATOM 467 CA LEU A 30 37.072 7.069 1.940 1.00 0.00 C ATOM 468 C LEU A 30 36.584 8.331 1.241 1.00 0.00 C ATOM 469 O LEU A 30 37.360 9.249 0.978 1.00 0.00 O ATOM 470 CB LEU A 30 37.419 5.994 0.904 1.00 0.00 C ATOM 471 CG LEU A 30 38.569 5.066 1.291 1.00 0.00 C ATOM 472 CD1 LEU A 30 38.422 3.718 0.599 1.00 0.00 C ATOM 473 CD2 LEU A 30 39.906 5.705 0.946 1.00 0.00 C ATOM 0 H LEU A 30 35.639 5.690 2.598 1.00 0.00 H new ATOM 0 HA LEU A 30 37.972 7.302 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 30 36.531 5.389 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 30 37.670 6.485 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 30 38.535 4.902 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 30 39.250 3.069 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 30 37.480 3.257 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 30 38.431 3.861 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 30 40.715 5.031 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 30 39.951 5.898 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 30 40.011 6.645 1.488 1.00 0.00 H new ATOM 485 N VAL A 31 35.285 8.373 0.964 1.00 0.00 N ATOM 486 CA VAL A 31 34.661 9.511 0.300 1.00 0.00 C ATOM 487 C VAL A 31 34.676 10.748 1.208 1.00 0.00 C ATOM 488 O VAL A 31 34.709 11.885 0.729 1.00 0.00 O ATOM 489 CB VAL A 31 33.208 9.166 -0.122 1.00 0.00 C ATOM 490 CG1 VAL A 31 32.393 10.410 -0.442 1.00 0.00 C ATOM 491 CG2 VAL A 31 33.211 8.222 -1.316 1.00 0.00 C ATOM 0 H VAL A 31 34.636 7.620 1.193 1.00 0.00 H new ATOM 0 HA VAL A 31 35.238 9.739 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 31 32.735 8.673 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 31 31.383 10.119 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 31 32.347 11.051 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 31 32.864 10.953 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 31 32.184 7.990 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 31 33.720 8.697 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 31 33.731 7.301 -1.051 1.00 0.00 H new ATOM 501 N THR A 32 34.692 10.523 2.517 1.00 0.00 N ATOM 502 CA THR A 32 34.762 11.621 3.475 1.00 0.00 C ATOM 503 C THR A 32 36.147 12.274 3.455 1.00 0.00 C ATOM 504 O THR A 32 36.346 13.368 3.992 1.00 0.00 O ATOM 505 CB THR A 32 34.438 11.153 4.908 1.00 0.00 C ATOM 506 OG1 THR A 32 33.760 9.890 4.881 1.00 0.00 O ATOM 507 CG2 THR A 32 33.573 12.175 5.625 1.00 0.00 C ATOM 0 H THR A 32 34.658 9.595 2.938 1.00 0.00 H new ATOM 0 HA THR A 32 34.012 12.352 3.174 1.00 0.00 H new ATOM 0 HB THR A 32 35.379 11.045 5.447 1.00 0.00 H new ATOM 0 HG1 THR A 32 33.562 9.605 5.798 1.00 0.00 H new ATOM 0 HG21 THR A 32 33.357 11.824 6.634 1.00 0.00 H new ATOM 0 HG22 THR A 32 34.102 13.127 5.677 1.00 0.00 H new ATOM 0 HG23 THR A 32 32.639 12.308 5.079 1.00 0.00 H new ATOM 515 N ARG A 33 37.104 11.598 2.833 1.00 0.00 N ATOM 516 CA ARG A 33 38.444 12.138 2.687 1.00 0.00 C ATOM 517 C ARG A 33 38.702 12.525 1.237 1.00 0.00 C ATOM 518 O ARG A 33 38.782 13.707 0.909 1.00 0.00 O ATOM 519 CB ARG A 33 39.488 11.119 3.149 1.00 0.00 C ATOM 520 CG ARG A 33 40.761 11.750 3.683 1.00 0.00 C ATOM 521 CD ARG A 33 41.746 10.692 4.149 1.00 0.00 C ATOM 522 NE ARG A 33 43.096 10.933 3.640 1.00 0.00 N ATOM 523 CZ ARG A 33 44.204 10.716 4.347 1.00 0.00 C ATOM 524 NH1 ARG A 33 44.122 10.236 5.580 1.00 0.00 N ATOM 525 NH2 ARG A 33 45.390 10.982 3.815 1.00 0.00 N ATOM 0 H ARG A 33 36.974 10.674 2.422 1.00 0.00 H new ATOM 0 HA ARG A 33 38.525 13.028 3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 33 39.051 10.491 3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 33 39.739 10.465 2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 33 41.220 12.361 2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 33 40.520 12.416 4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 33 41.768 10.673 5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 33 41.405 9.710 3.820 1.00 0.00 H new ATOM 0 HE ARG A 33 43.195 11.288 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 33 43.210 10.032 5.988 1.00 0.00 H new ATOM 0 HH12 ARG A 33 44.971 10.070 6.120 1.00 0.00 H new ATOM 0 HH21 ARG A 33 45.452 11.352 2.866 1.00 0.00 H new ATOM 0 HH22 ARG A 33 46.240 10.817 4.355 1.00 0.00 H new ATOM 539 N GLN A 34 38.836 11.507 0.383 1.00 0.00 N ATOM 540 CA GLN A 34 39.124 11.679 -1.047 1.00 0.00 C ATOM 541 C GLN A 34 40.511 12.280 -1.282 1.00 0.00 C ATOM 542 O GLN A 34 40.965 12.387 -2.421 1.00 0.00 O ATOM 543 CB GLN A 34 38.043 12.527 -1.726 1.00 0.00 C ATOM 544 CG GLN A 34 36.817 11.721 -2.113 1.00 0.00 C ATOM 545 CD GLN A 34 35.855 12.505 -2.979 1.00 0.00 C ATOM 546 OE1 GLN A 34 36.047 12.629 -4.188 1.00 0.00 O ATOM 547 NE2 GLN A 34 34.810 13.030 -2.369 1.00 0.00 N ATOM 0 H GLN A 34 38.747 10.531 0.665 1.00 0.00 H new ATOM 0 HA GLN A 34 39.118 10.687 -1.498 1.00 0.00 H new ATOM 0 HB2 GLN A 34 37.745 13.332 -1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 34 38.461 12.994 -2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 34 37.130 10.823 -2.645 1.00 0.00 H new ATOM 0 HG3 GLN A 34 36.302 11.393 -1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 34 34.689 12.903 -1.364 1.00 0.00 H new ATOM 0 HE22 GLN A 34 34.123 13.563 -2.902 1.00 0.00 H new ATOM 556 N ARG A 35 41.181 12.656 -0.201 1.00 0.00 N ATOM 557 CA ARG A 35 42.533 13.174 -0.274 1.00 0.00 C ATOM 558 C ARG A 35 43.534 12.038 -0.103 1.00 0.00 C ATOM 559 O ARG A 35 43.902 11.682 1.019 1.00 0.00 O ATOM 560 CB ARG A 35 42.760 14.240 0.800 1.00 0.00 C ATOM 561 CG ARG A 35 41.988 15.533 0.565 1.00 0.00 C ATOM 562 CD ARG A 35 42.098 16.016 -0.876 1.00 0.00 C ATOM 563 NE ARG A 35 43.440 16.503 -1.195 1.00 0.00 N ATOM 564 CZ ARG A 35 43.722 17.282 -2.238 1.00 0.00 C ATOM 565 NH1 ARG A 35 42.754 17.684 -3.056 1.00 0.00 N ATOM 566 NH2 ARG A 35 44.975 17.664 -2.457 1.00 0.00 N ATOM 0 H ARG A 35 40.802 12.609 0.745 1.00 0.00 H new ATOM 0 HA ARG A 35 42.677 13.633 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 35 42.476 13.830 1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 35 43.825 14.469 0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 35 40.938 15.378 0.815 1.00 0.00 H new ATOM 0 HG3 ARG A 35 42.365 16.306 1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 35 41.839 15.201 -1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 35 41.374 16.813 -1.046 1.00 0.00 H new ATOM 0 HE ARG A 35 44.207 16.229 -0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 35 41.790 17.396 -2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 35 42.975 18.280 -3.853 1.00 0.00 H new ATOM 0 HH21 ARG A 35 45.718 17.361 -1.827 1.00 0.00 H new ATOM 0 HH22 ARG A 35 45.194 18.260 -3.255 1.00 0.00 H new ATOM 580 N TYR A 36 43.946 11.465 -1.223 1.00 0.00 N ATOM 581 CA TYR A 36 44.886 10.355 -1.228 1.00 0.00 C ATOM 582 C TYR A 36 45.763 10.424 -2.472 1.00 0.00 C ATOM 583 O TYR A 36 45.364 11.101 -3.446 1.00 0.00 O ATOM 584 CB TYR A 36 44.136 9.019 -1.188 1.00 0.00 C ATOM 585 CG TYR A 36 44.049 8.403 0.193 1.00 0.00 C ATOM 586 CD1 TYR A 36 45.161 7.819 0.785 1.00 0.00 C ATOM 587 CD2 TYR A 36 42.854 8.405 0.898 1.00 0.00 C ATOM 588 CE1 TYR A 36 45.087 7.254 2.045 1.00 0.00 C ATOM 589 CE2 TYR A 36 42.768 7.843 2.159 1.00 0.00 C ATOM 590 CZ TYR A 36 43.887 7.269 2.730 1.00 0.00 C ATOM 591 OH TYR A 36 43.806 6.710 3.987 1.00 0.00 O ATOM 0 H TYR A 36 43.639 11.755 -2.152 1.00 0.00 H new ATOM 0 HA TYR A 36 45.517 10.426 -0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 36 43.127 9.169 -1.572 1.00 0.00 H new ATOM 0 HB3 TYR A 36 44.631 8.316 -1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 36 46.100 7.806 0.252 1.00 0.00 H new ATOM 0 HD2 TYR A 36 41.977 8.853 0.455 1.00 0.00 H new ATOM 0 HE1 TYR A 36 45.962 6.804 2.491 1.00 0.00 H new ATOM 0 HE2 TYR A 36 41.830 7.853 2.695 1.00 0.00 H new ATOM 0 HH TYR A 36 42.893 6.806 4.329 1.00 0.00 H new HETATM 601 N NH2 A 37 46.914 9.766 -2.467 1.00 0.00 N TER 604 NH2 A 37