USER MOD reduce.3.24.130724 H: found=0, std=0, add=256, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 256 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 ASP N :NH3+ -173:sc=-0.00411 (180deg=-0.095) USER MOD Single : A 9 GLN : amide:sc= -0.128 K(o=-0.13,f=-1) USER MOD Single : A 11 SER OG : rot 170:sc=-0.00288 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00392 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.0218 K(o=-0.022,f=-2.2!) USER MOD Single : A 21 THR OG1 : rot -27:sc= 1.11 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 70:sc= 0.296 USER MOD Single : A 37 SER OG : rot 41:sc= 0.526 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.266 -6.402 -4.832 1.00 0.00 N ATOM 2 CA ASP A 1 -8.019 -7.271 -3.662 1.00 0.00 C ATOM 3 C ASP A 1 -7.417 -6.447 -2.537 1.00 0.00 C ATOM 4 O ASP A 1 -7.164 -5.267 -2.735 1.00 0.00 O ATOM 5 CB ASP A 1 -7.131 -8.476 -3.998 1.00 0.00 C ATOM 6 CG ASP A 1 -5.749 -8.073 -4.447 1.00 0.00 C ATOM 7 OD1 ASP A 1 -5.032 -7.406 -3.681 1.00 0.00 O ATOM 8 OD2 ASP A 1 -5.419 -8.400 -5.604 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.785 -6.936 -5.558 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.829 -5.578 -4.540 1.00 0.00 H new ATOM 0 H3 ASP A 1 -7.358 -6.080 -5.223 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.977 -7.680 -3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -7.051 -9.119 -3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.606 -9.065 -4.783 1.00 0.00 H new ATOM 15 N ILE A 2 -7.219 -7.030 -1.359 1.00 0.00 N ATOM 16 CA ILE A 2 -6.754 -6.321 -0.170 1.00 0.00 C ATOM 17 C ILE A 2 -5.472 -5.523 -0.417 1.00 0.00 C ATOM 18 O ILE A 2 -5.264 -4.470 0.178 1.00 0.00 O ATOM 19 CB ILE A 2 -6.567 -7.346 0.958 1.00 0.00 C ATOM 20 CG1 ILE A 2 -6.337 -6.733 2.344 1.00 0.00 C ATOM 21 CG2 ILE A 2 -5.401 -8.310 0.684 1.00 0.00 C ATOM 22 CD1 ILE A 2 -7.583 -6.085 2.935 1.00 0.00 C ATOM 0 H ILE A 2 -7.380 -8.025 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.504 -5.582 0.112 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.518 -7.878 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.984 -7.510 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.546 -5.986 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.310 -9.015 1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.590 -8.856 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.475 -7.743 0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.348 -5.672 3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.924 -5.286 2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.369 -6.833 3.035 1.00 0.00 H new ATOM 34 N CYS A 3 -4.604 -5.994 -1.305 1.00 0.00 N ATOM 35 CA CYS A 3 -3.402 -5.248 -1.644 1.00 0.00 C ATOM 36 C CYS A 3 -3.795 -3.930 -2.289 1.00 0.00 C ATOM 37 O CYS A 3 -3.279 -2.862 -1.973 1.00 0.00 O ATOM 38 CB CYS A 3 -2.578 -6.056 -2.637 1.00 0.00 C ATOM 39 SG CYS A 3 -0.821 -5.724 -2.589 1.00 0.00 S ATOM 0 H CYS A 3 -4.710 -6.881 -1.798 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.820 -5.060 -0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.740 -7.117 -2.445 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.945 -5.854 -3.643 1.00 0.00 H new ATOM 44 N ASP A 4 -4.756 -4.018 -3.201 1.00 0.00 N ATOM 45 CA ASP A 4 -5.298 -2.882 -3.912 1.00 0.00 C ATOM 46 C ASP A 4 -6.097 -1.989 -2.965 1.00 0.00 C ATOM 47 O ASP A 4 -6.040 -0.770 -3.079 1.00 0.00 O ATOM 48 CB ASP A 4 -6.121 -3.395 -5.083 1.00 0.00 C ATOM 49 CG ASP A 4 -6.682 -2.263 -5.896 1.00 0.00 C ATOM 50 OD1 ASP A 4 -7.798 -1.819 -5.565 1.00 0.00 O ATOM 51 OD2 ASP A 4 -6.037 -1.885 -6.895 1.00 0.00 O ATOM 0 H ASP A 4 -5.185 -4.904 -3.468 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.498 -2.257 -4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.500 -4.027 -5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.935 -4.017 -4.712 1.00 0.00 H new ATOM 56 N ILE A 5 -6.786 -2.583 -1.988 1.00 0.00 N ATOM 57 CA ILE A 5 -7.376 -1.847 -0.874 1.00 0.00 C ATOM 58 C ILE A 5 -6.280 -1.002 -0.211 1.00 0.00 C ATOM 59 O ILE A 5 -6.408 0.215 -0.108 1.00 0.00 O ATOM 60 CB ILE A 5 -8.091 -2.781 0.129 1.00 0.00 C ATOM 61 CG1 ILE A 5 -9.205 -3.561 -0.588 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.664 -1.989 1.309 1.00 0.00 C ATOM 63 CD1 ILE A 5 -10.089 -4.441 0.298 1.00 0.00 C ATOM 0 H ILE A 5 -6.949 -3.589 -1.949 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.155 -1.185 -1.251 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.360 -3.486 0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.844 -2.847 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.746 -4.192 -1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.161 -2.672 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.856 -1.474 1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.383 -1.257 0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.837 -4.941 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.473 -5.188 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -10.587 -3.822 1.044 1.00 0.00 H new ATOM 75 N ALA A 6 -5.185 -1.627 0.221 1.00 0.00 N ATOM 76 CA ALA A 6 -4.067 -0.922 0.835 1.00 0.00 C ATOM 77 C ALA A 6 -3.541 0.175 -0.085 1.00 0.00 C ATOM 78 O ALA A 6 -3.165 1.237 0.402 1.00 0.00 O ATOM 79 CB ALA A 6 -2.938 -1.899 1.183 1.00 0.00 C ATOM 0 H ALA A 6 -5.051 -2.636 0.154 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.429 -0.459 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.113 -1.353 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.308 -2.649 1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.589 -2.390 0.275 1.00 0.00 H new ATOM 85 N ILE A 7 -3.509 -0.059 -1.397 1.00 0.00 N ATOM 86 CA ILE A 7 -3.060 0.935 -2.363 1.00 0.00 C ATOM 87 C ILE A 7 -4.037 2.107 -2.473 1.00 0.00 C ATOM 88 O ILE A 7 -3.614 3.263 -2.547 1.00 0.00 O ATOM 89 CB ILE A 7 -2.684 0.278 -3.700 1.00 0.00 C ATOM 90 CG1 ILE A 7 -1.446 -0.616 -3.490 1.00 0.00 C ATOM 91 CG2 ILE A 7 -2.349 1.344 -4.751 1.00 0.00 C ATOM 92 CD1 ILE A 7 -1.289 -1.665 -4.589 1.00 0.00 C ATOM 0 H ILE A 7 -3.794 -0.944 -1.817 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.138 1.386 -1.997 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.530 -0.313 -4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.553 0.008 -3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.522 -1.115 -2.524 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.085 0.858 -5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.215 1.987 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.508 1.945 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.402 -2.267 -4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.168 -2.309 -4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.184 -1.168 -5.554 1.00 0.00 H new ATOM 104 N ALA A 8 -5.339 1.845 -2.457 1.00 0.00 N ATOM 105 CA ALA A 8 -6.350 2.887 -2.403 1.00 0.00 C ATOM 106 C ALA A 8 -6.137 3.721 -1.147 1.00 0.00 C ATOM 107 O ALA A 8 -6.075 4.952 -1.177 1.00 0.00 O ATOM 108 CB ALA A 8 -7.737 2.247 -2.388 1.00 0.00 C ATOM 0 H ALA A 8 -5.721 0.900 -2.481 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.271 3.532 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.497 3.027 -2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.874 1.654 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.831 1.603 -1.514 1.00 0.00 H new ATOM 114 N GLN A 9 -5.976 3.021 -0.033 1.00 0.00 N ATOM 115 CA GLN A 9 -5.832 3.601 1.287 1.00 0.00 C ATOM 116 C GLN A 9 -4.447 4.231 1.453 1.00 0.00 C ATOM 117 O GLN A 9 -4.253 5.052 2.344 1.00 0.00 O ATOM 118 CB GLN A 9 -6.093 2.483 2.305 1.00 0.00 C ATOM 119 CG GLN A 9 -7.599 2.165 2.367 1.00 0.00 C ATOM 120 CD GLN A 9 -7.996 1.514 3.683 1.00 0.00 C ATOM 121 OE1 GLN A 9 -7.487 1.877 4.738 1.00 0.00 O ATOM 122 NE2 GLN A 9 -8.907 0.555 3.661 1.00 0.00 N ATOM 0 H GLN A 9 -5.941 2.002 -0.027 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.547 4.408 1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.536 1.589 2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.737 2.786 3.289 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.168 3.085 2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.863 1.503 1.542 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.321 0.265 2.775 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.196 0.106 4.530 1.00 0.00 H new ATOM 131 N CYS A 10 -3.520 3.856 0.574 1.00 0.00 N ATOM 132 CA CYS A 10 -2.083 4.057 0.612 1.00 0.00 C ATOM 133 C CYS A 10 -1.631 3.906 2.063 1.00 0.00 C ATOM 134 O CYS A 10 -1.265 4.871 2.731 1.00 0.00 O ATOM 135 CB CYS A 10 -1.611 5.382 0.019 1.00 0.00 C ATOM 136 SG CYS A 10 -2.543 6.914 0.222 1.00 0.00 S ATOM 0 H CYS A 10 -3.792 3.351 -0.269 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.623 3.304 -0.028 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.614 5.567 0.419 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.500 5.223 -1.054 1.00 0.00 H new ATOM 141 N SER A 11 -1.712 2.669 2.547 1.00 0.00 N ATOM 142 CA SER A 11 -1.568 2.298 3.945 1.00 0.00 C ATOM 143 C SER A 11 -0.536 1.192 4.093 1.00 0.00 C ATOM 144 O SER A 11 -0.749 0.079 3.615 1.00 0.00 O ATOM 145 CB SER A 11 -2.931 1.837 4.469 1.00 0.00 C ATOM 146 OG SER A 11 -2.852 1.419 5.819 1.00 0.00 O ATOM 0 H SER A 11 -1.888 1.865 1.945 1.00 0.00 H new ATOM 0 HA SER A 11 -1.224 3.155 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.651 2.651 4.380 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.300 1.017 3.854 1.00 0.00 H new ATOM 0 HG SER A 11 -3.756 1.285 6.173 1.00 0.00 H new ATOM 152 N LEU A 12 0.566 1.477 4.786 1.00 0.00 N ATOM 153 CA LEU A 12 1.568 0.458 5.035 1.00 0.00 C ATOM 154 C LEU A 12 1.060 -0.636 5.971 1.00 0.00 C ATOM 155 O LEU A 12 1.386 -1.798 5.749 1.00 0.00 O ATOM 156 CB LEU A 12 2.905 1.055 5.497 1.00 0.00 C ATOM 157 CG LEU A 12 3.639 1.890 4.422 1.00 0.00 C ATOM 158 CD1 LEU A 12 5.151 1.806 4.655 1.00 0.00 C ATOM 159 CD2 LEU A 12 3.388 1.401 2.994 1.00 0.00 C ATOM 0 H LEU A 12 0.780 2.394 5.178 1.00 0.00 H new ATOM 0 HA LEU A 12 1.765 -0.025 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.726 1.685 6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.559 0.244 5.819 1.00 0.00 H new ATOM 0 HG LEU A 12 3.253 2.905 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.669 2.394 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.389 2.197 5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.472 0.766 4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.933 2.032 2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.730 0.371 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.322 1.451 2.774 1.00 0.00 H new ATOM 171 N THR A 13 0.250 -0.334 6.990 1.00 0.00 N ATOM 172 CA THR A 13 -0.245 -1.421 7.828 1.00 0.00 C ATOM 173 C THR A 13 -1.056 -2.404 6.994 1.00 0.00 C ATOM 174 O THR A 13 -0.797 -3.605 7.011 1.00 0.00 O ATOM 175 CB THR A 13 -1.067 -0.902 9.012 1.00 0.00 C ATOM 176 OG1 THR A 13 -0.462 0.259 9.535 1.00 0.00 O ATOM 177 CG2 THR A 13 -1.123 -1.976 10.103 1.00 0.00 C ATOM 0 H THR A 13 -0.062 0.603 7.244 1.00 0.00 H new ATOM 0 HA THR A 13 0.620 -1.940 8.242 1.00 0.00 H new ATOM 0 HB THR A 13 -2.077 -0.667 8.675 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.990 0.591 10.291 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.708 -1.608 10.946 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.589 -2.877 9.703 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.112 -2.209 10.437 1.00 0.00 H new ATOM 185 N LEU A 14 -2.003 -1.879 6.222 1.00 0.00 N ATOM 186 CA LEU A 14 -2.865 -2.700 5.393 1.00 0.00 C ATOM 187 C LEU A 14 -2.025 -3.464 4.358 1.00 0.00 C ATOM 188 O LEU A 14 -2.394 -4.552 3.930 1.00 0.00 O ATOM 189 CB LEU A 14 -3.939 -1.796 4.771 1.00 0.00 C ATOM 190 CG LEU A 14 -5.356 -2.360 4.836 1.00 0.00 C ATOM 191 CD1 LEU A 14 -6.358 -1.263 4.474 1.00 0.00 C ATOM 192 CD2 LEU A 14 -5.512 -3.511 3.863 1.00 0.00 C ATOM 0 H LEU A 14 -2.190 -0.878 6.157 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.377 -3.462 5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.922 -0.831 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.682 -1.613 3.728 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.543 -2.719 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.370 -1.665 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.263 -0.437 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.156 -0.904 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.528 -3.902 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.316 -3.160 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.804 -4.300 4.117 1.00 0.00 H new ATOM 204 N CYS A 15 -0.859 -2.939 3.965 1.00 0.00 N ATOM 205 CA CYS A 15 -0.002 -3.672 3.035 1.00 0.00 C ATOM 206 C CYS A 15 0.463 -4.988 3.642 1.00 0.00 C ATOM 207 O CYS A 15 0.749 -5.927 2.907 1.00 0.00 O ATOM 208 CB CYS A 15 1.221 -2.874 2.569 1.00 0.00 C ATOM 209 SG CYS A 15 0.981 -1.845 1.113 1.00 0.00 S ATOM 0 H CYS A 15 -0.497 -2.035 4.268 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.622 -3.861 2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.549 -2.237 3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.031 -3.574 2.366 1.00 0.00 H new ATOM 214 N GLN A 16 0.547 -5.091 4.966 1.00 0.00 N ATOM 215 CA GLN A 16 0.953 -6.326 5.615 1.00 0.00 C ATOM 216 C GLN A 16 -0.089 -7.438 5.446 1.00 0.00 C ATOM 217 O GLN A 16 0.230 -8.604 5.694 1.00 0.00 O ATOM 218 CB GLN A 16 1.301 -6.049 7.077 1.00 0.00 C ATOM 219 CG GLN A 16 2.369 -4.953 7.176 1.00 0.00 C ATOM 220 CD GLN A 16 2.956 -4.900 8.576 1.00 0.00 C ATOM 221 OE1 GLN A 16 2.236 -4.673 9.547 1.00 0.00 O ATOM 222 NE2 GLN A 16 4.250 -5.158 8.714 1.00 0.00 N ATOM 0 H GLN A 16 0.337 -4.328 5.609 1.00 0.00 H new ATOM 0 HA GLN A 16 1.851 -6.702 5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.406 -5.743 7.618 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.663 -6.962 7.550 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.161 -5.143 6.451 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.931 -3.987 6.923 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.824 -5.343 7.891 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.671 -5.172 9.643 1.00 0.00 H new ATOM 231 N ASP A 17 -1.308 -7.105 5.006 1.00 0.00 N ATOM 232 CA ASP A 17 -2.295 -8.090 4.584 1.00 0.00 C ATOM 233 C ASP A 17 -1.891 -8.659 3.223 1.00 0.00 C ATOM 234 O ASP A 17 -2.231 -9.794 2.900 1.00 0.00 O ATOM 235 CB ASP A 17 -3.696 -7.472 4.435 1.00 0.00 C ATOM 236 CG ASP A 17 -4.333 -6.954 5.705 1.00 0.00 C ATOM 237 OD1 ASP A 17 -3.651 -6.319 6.532 1.00 0.00 O ATOM 238 OD2 ASP A 17 -5.546 -7.200 5.880 1.00 0.00 O ATOM 0 H ASP A 17 -1.633 -6.141 4.935 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.329 -8.865 5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.634 -6.650 3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.357 -8.222 4.001 1.00 0.00 H new ATOM 243 N CYS A 18 -1.223 -7.864 2.390 1.00 0.00 N ATOM 244 CA CYS A 18 -0.960 -8.206 0.997 1.00 0.00 C ATOM 245 C CYS A 18 0.112 -9.272 0.886 1.00 0.00 C ATOM 246 O CYS A 18 1.102 -9.235 1.615 1.00 0.00 O ATOM 247 CB CYS A 18 -0.542 -6.972 0.205 1.00 0.00 C ATOM 248 SG CYS A 18 -0.150 -7.378 -1.502 1.00 0.00 S ATOM 0 H CYS A 18 -0.847 -6.957 2.667 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.886 -8.600 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.345 -6.235 0.229 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.326 -6.513 0.678 1.00 0.00 H new ATOM 253 N GLU A 19 -0.093 -10.212 -0.043 1.00 0.00 N ATOM 254 CA GLU A 19 0.830 -11.286 -0.349 1.00 0.00 C ATOM 255 C GLU A 19 2.240 -10.728 -0.538 1.00 0.00 C ATOM 256 O GLU A 19 3.146 -11.028 0.236 1.00 0.00 O ATOM 257 CB GLU A 19 0.307 -12.061 -1.560 1.00 0.00 C ATOM 258 CG GLU A 19 1.163 -13.275 -1.932 1.00 0.00 C ATOM 259 CD GLU A 19 2.228 -12.903 -2.936 1.00 0.00 C ATOM 260 OE1 GLU A 19 1.867 -12.813 -4.129 1.00 0.00 O ATOM 261 OE2 GLU A 19 3.379 -12.661 -2.525 1.00 0.00 O ATOM 0 H GLU A 19 -0.937 -10.238 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 19 0.896 -11.992 0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.710 -12.394 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.256 -11.388 -2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.631 -13.682 -1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.528 -14.059 -2.345 1.00 0.00 H new ATOM 268 N ASN A 20 2.440 -9.895 -1.557 1.00 0.00 N ATOM 269 CA ASN A 20 3.743 -9.363 -1.873 1.00 0.00 C ATOM 270 C ASN A 20 3.946 -8.053 -1.128 1.00 0.00 C ATOM 271 O ASN A 20 4.085 -6.988 -1.726 1.00 0.00 O ATOM 272 CB ASN A 20 3.959 -9.302 -3.386 1.00 0.00 C ATOM 273 CG ASN A 20 2.999 -8.456 -4.211 1.00 0.00 C ATOM 274 OD1 ASN A 20 1.926 -8.056 -3.761 1.00 0.00 O ATOM 275 ND2 ASN A 20 3.353 -8.208 -5.468 1.00 0.00 N ATOM 0 H ASN A 20 1.698 -9.576 -2.180 1.00 0.00 H new ATOM 0 HA ASN A 20 4.530 -10.030 -1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.969 -8.932 -3.565 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.921 -10.321 -3.770 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.731 -7.678 -6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.247 -8.548 -5.823 1.00 0.00 H new ATOM 282 N THR A 21 3.974 -8.153 0.201 1.00 0.00 N ATOM 283 CA THR A 21 4.080 -7.041 1.131 1.00 0.00 C ATOM 284 C THR A 21 5.027 -5.913 0.681 1.00 0.00 C ATOM 285 O THR A 21 4.542 -4.817 0.441 1.00 0.00 O ATOM 286 CB THR A 21 4.352 -7.579 2.534 1.00 0.00 C ATOM 287 OG1 THR A 21 3.499 -8.680 2.800 1.00 0.00 O ATOM 288 CG2 THR A 21 4.183 -6.505 3.606 1.00 0.00 C ATOM 0 H THR A 21 3.921 -9.055 0.675 1.00 0.00 H new ATOM 0 HA THR A 21 3.119 -6.527 1.149 1.00 0.00 H new ATOM 0 HB THR A 21 5.392 -7.905 2.568 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.677 -8.591 2.275 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.387 -6.935 4.587 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.879 -5.688 3.416 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.162 -6.124 3.582 1.00 0.00 H new ATOM 296 N PRO A 22 6.343 -6.105 0.508 1.00 0.00 N ATOM 297 CA PRO A 22 7.224 -5.000 0.133 1.00 0.00 C ATOM 298 C PRO A 22 6.875 -4.396 -1.231 1.00 0.00 C ATOM 299 O PRO A 22 7.107 -3.209 -1.459 1.00 0.00 O ATOM 300 CB PRO A 22 8.638 -5.592 0.124 1.00 0.00 C ATOM 301 CG PRO A 22 8.402 -7.085 -0.113 1.00 0.00 C ATOM 302 CD PRO A 22 7.102 -7.336 0.647 1.00 0.00 C ATOM 0 HA PRO A 22 7.122 -4.175 0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.251 -5.153 -0.663 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.154 -5.412 1.067 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.304 -7.317 -1.173 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.221 -7.692 0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.559 -8.184 0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.295 -7.565 1.695 1.00 0.00 H new ATOM 310 N ILE A 23 6.315 -5.178 -2.152 1.00 0.00 N ATOM 311 CA ILE A 23 5.875 -4.642 -3.431 1.00 0.00 C ATOM 312 C ILE A 23 4.642 -3.763 -3.204 1.00 0.00 C ATOM 313 O ILE A 23 4.482 -2.711 -3.824 1.00 0.00 O ATOM 314 CB ILE A 23 5.636 -5.772 -4.422 1.00 0.00 C ATOM 315 CG1 ILE A 23 6.932 -6.564 -4.630 1.00 0.00 C ATOM 316 CG2 ILE A 23 5.095 -5.261 -5.760 1.00 0.00 C ATOM 317 CD1 ILE A 23 8.082 -5.835 -5.329 1.00 0.00 C ATOM 0 H ILE A 23 6.157 -6.179 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 23 6.648 -4.013 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 23 4.874 -6.429 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.285 -6.899 -3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.695 -7.457 -5.208 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.940 -6.103 -6.435 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.148 -4.747 -5.597 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.812 -4.569 -6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.938 -6.504 -5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.764 -5.524 -6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.364 -4.957 -4.747 1.00 0.00 H new ATOM 329 N CYS A 24 3.758 -4.182 -2.298 1.00 0.00 N ATOM 330 CA CYS A 24 2.652 -3.348 -1.848 1.00 0.00 C ATOM 331 C CYS A 24 3.187 -2.057 -1.248 1.00 0.00 C ATOM 332 O CYS A 24 2.800 -0.979 -1.681 1.00 0.00 O ATOM 333 CB CYS A 24 1.763 -4.092 -0.857 1.00 0.00 C ATOM 334 SG CYS A 24 0.298 -3.165 -0.358 1.00 0.00 S ATOM 0 H CYS A 24 3.791 -5.103 -1.860 1.00 0.00 H new ATOM 0 HA CYS A 24 2.033 -3.100 -2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.450 -5.037 -1.302 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.348 -4.335 0.030 1.00 0.00 H new ATOM 339 N GLU A 25 4.119 -2.157 -0.301 1.00 0.00 N ATOM 340 CA GLU A 25 4.773 -1.024 0.325 1.00 0.00 C ATOM 341 C GLU A 25 5.333 -0.068 -0.735 1.00 0.00 C ATOM 342 O GLU A 25 5.206 1.153 -0.620 1.00 0.00 O ATOM 343 CB GLU A 25 5.890 -1.562 1.229 1.00 0.00 C ATOM 344 CG GLU A 25 5.406 -2.230 2.521 1.00 0.00 C ATOM 345 CD GLU A 25 6.581 -2.753 3.326 1.00 0.00 C ATOM 346 OE1 GLU A 25 7.633 -2.080 3.356 1.00 0.00 O ATOM 347 OE2 GLU A 25 6.467 -3.861 3.882 1.00 0.00 O ATOM 0 H GLU A 25 4.444 -3.055 0.057 1.00 0.00 H new ATOM 0 HA GLU A 25 4.057 -0.457 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.481 -2.283 0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.555 -0.739 1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.840 -1.514 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.729 -3.050 2.281 1.00 0.00 H new ATOM 354 N LEU A 26 6.018 -0.610 -1.743 1.00 0.00 N ATOM 355 CA LEU A 26 6.672 0.195 -2.764 1.00 0.00 C ATOM 356 C LEU A 26 5.622 0.925 -3.588 1.00 0.00 C ATOM 357 O LEU A 26 5.720 2.136 -3.785 1.00 0.00 O ATOM 358 CB LEU A 26 7.598 -0.680 -3.626 1.00 0.00 C ATOM 359 CG LEU A 26 8.607 0.147 -4.447 1.00 0.00 C ATOM 360 CD1 LEU A 26 9.917 -0.635 -4.599 1.00 0.00 C ATOM 361 CD2 LEU A 26 8.077 0.473 -5.850 1.00 0.00 C ATOM 0 H LEU A 26 6.132 -1.616 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 26 7.303 0.949 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.141 -1.371 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.994 -1.284 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 26 8.770 1.081 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.627 -0.046 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.336 -0.839 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.721 -1.577 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.820 1.057 -6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.879 -0.454 -6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.155 1.048 -5.766 1.00 0.00 H new ATOM 373 N ALA A 27 4.618 0.195 -4.066 1.00 0.00 N ATOM 374 CA ALA A 27 3.523 0.756 -4.840 1.00 0.00 C ATOM 375 C ALA A 27 2.761 1.802 -4.029 1.00 0.00 C ATOM 376 O ALA A 27 2.351 2.823 -4.570 1.00 0.00 O ATOM 377 CB ALA A 27 2.599 -0.371 -5.286 1.00 0.00 C ATOM 0 H ALA A 27 4.544 -0.812 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 27 3.925 1.259 -5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.775 0.043 -5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.157 -1.078 -5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.203 -0.885 -4.410 1.00 0.00 H new ATOM 383 N VAL A 28 2.585 1.571 -2.731 1.00 0.00 N ATOM 384 CA VAL A 28 1.919 2.505 -1.844 1.00 0.00 C ATOM 385 C VAL A 28 2.715 3.808 -1.756 1.00 0.00 C ATOM 386 O VAL A 28 2.136 4.879 -1.934 1.00 0.00 O ATOM 387 CB VAL A 28 1.615 1.847 -0.492 1.00 0.00 C ATOM 388 CG1 VAL A 28 1.387 2.867 0.616 1.00 0.00 C ATOM 389 CG2 VAL A 28 0.343 1.015 -0.596 1.00 0.00 C ATOM 0 H VAL A 28 2.905 0.721 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 28 0.946 2.780 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 28 2.484 1.237 -0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.176 2.348 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.280 3.480 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.542 3.504 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.132 0.550 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.490 1.658 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.476 0.240 -1.351 1.00 0.00 H new ATOM 399 N LYS A 29 4.030 3.757 -1.510 1.00 0.00 N ATOM 400 CA LYS A 29 4.878 4.925 -1.707 1.00 0.00 C ATOM 401 C LYS A 29 4.719 5.524 -3.109 1.00 0.00 C ATOM 402 O LYS A 29 4.731 6.743 -3.275 1.00 0.00 O ATOM 403 CB LYS A 29 6.336 4.550 -1.392 1.00 0.00 C ATOM 404 CG LYS A 29 6.816 5.377 -0.199 1.00 0.00 C ATOM 405 CD LYS A 29 7.926 4.711 0.610 1.00 0.00 C ATOM 406 CE LYS A 29 9.211 4.586 -0.196 1.00 0.00 C ATOM 407 NZ LYS A 29 10.363 4.289 0.671 1.00 0.00 N ATOM 0 H LYS A 29 4.520 2.926 -1.178 1.00 0.00 H new ATOM 0 HA LYS A 29 4.564 5.710 -1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.411 3.486 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.969 4.738 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.171 6.343 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.969 5.574 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.117 5.292 1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.600 3.722 0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.100 3.797 -0.940 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.393 5.513 -0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.223 4.210 0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.482 5.055 1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.199 3.392 1.171 1.00 0.00 H new ATOM 421 N GLY A 30 4.566 4.678 -4.126 1.00 0.00 N ATOM 422 CA GLY A 30 4.204 5.109 -5.466 1.00 0.00 C ATOM 423 C GLY A 30 2.968 6.010 -5.424 1.00 0.00 C ATOM 424 O GLY A 30 2.996 7.123 -5.949 1.00 0.00 O ATOM 0 H GLY A 30 4.691 3.670 -4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.037 5.646 -5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.006 4.240 -6.093 1.00 0.00 H new ATOM 428 N SER A 31 1.907 5.580 -4.747 1.00 0.00 N ATOM 429 CA SER A 31 0.605 6.218 -4.837 1.00 0.00 C ATOM 430 C SER A 31 0.489 7.422 -3.910 1.00 0.00 C ATOM 431 O SER A 31 -0.280 8.330 -4.221 1.00 0.00 O ATOM 432 CB SER A 31 -0.479 5.211 -4.446 1.00 0.00 C ATOM 433 OG SER A 31 -0.370 4.049 -5.237 1.00 0.00 O ATOM 0 H SER A 31 1.930 4.776 -4.119 1.00 0.00 H new ATOM 0 HA SER A 31 0.481 6.559 -5.865 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.383 4.953 -3.391 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.465 5.658 -4.576 1.00 0.00 H new ATOM 0 HG SER A 31 0.437 3.555 -4.983 1.00 0.00 H new ATOM 439 N CYS A 32 1.171 7.440 -2.767 1.00 0.00 N ATOM 440 CA CYS A 32 1.078 8.554 -1.824 1.00 0.00 C ATOM 441 C CYS A 32 2.461 8.807 -1.233 1.00 0.00 C ATOM 442 O CYS A 32 3.175 7.849 -0.933 1.00 0.00 O ATOM 443 CB CYS A 32 0.074 8.250 -0.711 1.00 0.00 C ATOM 444 SG CYS A 32 -1.647 8.095 -1.255 1.00 0.00 S ATOM 0 H CYS A 32 1.797 6.692 -2.470 1.00 0.00 H new ATOM 0 HA CYS A 32 0.727 9.442 -2.350 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.369 7.323 -0.219 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.133 9.040 0.037 1.00 0.00 H new ATOM 449 N PRO A 33 2.853 10.077 -1.067 1.00 0.00 N ATOM 450 CA PRO A 33 4.194 10.456 -0.673 1.00 0.00 C ATOM 451 C PRO A 33 4.434 10.073 0.792 1.00 0.00 C ATOM 452 O PRO A 33 3.573 10.336 1.631 1.00 0.00 O ATOM 453 CB PRO A 33 4.255 11.971 -0.885 1.00 0.00 C ATOM 454 CG PRO A 33 2.805 12.416 -0.709 1.00 0.00 C ATOM 455 CD PRO A 33 2.028 11.246 -1.292 1.00 0.00 C ATOM 0 HA PRO A 33 4.967 9.949 -1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.913 12.451 -0.160 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.634 12.222 -1.875 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.557 12.586 0.339 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.598 13.345 -1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.058 11.140 -0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.838 11.393 -2.355 1.00 0.00 H new ATOM 463 N PRO A 34 5.587 9.468 1.119 1.00 0.00 N ATOM 464 CA PRO A 34 5.896 9.042 2.473 1.00 0.00 C ATOM 465 C PRO A 34 6.349 10.246 3.318 1.00 0.00 C ATOM 466 O PRO A 34 6.955 11.177 2.771 1.00 0.00 O ATOM 467 CB PRO A 34 7.048 8.045 2.313 1.00 0.00 C ATOM 468 CG PRO A 34 7.791 8.575 1.084 1.00 0.00 C ATOM 469 CD PRO A 34 6.654 9.101 0.204 1.00 0.00 C ATOM 0 HA PRO A 34 5.035 8.603 2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.689 8.023 3.194 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.685 7.029 2.158 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.497 9.363 1.346 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.359 7.790 0.585 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.979 9.960 -0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.321 8.340 -0.501 1.00 0.00 H new ATOM 477 N PRO A 35 6.157 10.221 4.646 1.00 0.00 N ATOM 478 CA PRO A 35 5.336 9.259 5.361 1.00 0.00 C ATOM 479 C PRO A 35 3.869 9.488 4.998 1.00 0.00 C ATOM 480 O PRO A 35 3.523 10.526 4.436 1.00 0.00 O ATOM 481 CB PRO A 35 5.620 9.512 6.839 1.00 0.00 C ATOM 482 CG PRO A 35 5.999 10.989 6.900 1.00 0.00 C ATOM 483 CD PRO A 35 6.672 11.236 5.550 1.00 0.00 C ATOM 0 HA PRO A 35 5.557 8.222 5.108 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.746 9.299 7.455 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.428 8.878 7.203 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.123 11.624 7.035 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.674 11.197 7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 35 6.447 12.236 5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.756 11.165 5.637 1.00 0.00 H new ATOM 491 N TRP A 36 3.010 8.519 5.286 1.00 0.00 N ATOM 492 CA TRP A 36 1.645 8.494 4.788 1.00 0.00 C ATOM 493 C TRP A 36 0.715 9.145 5.803 1.00 0.00 C ATOM 494 O TRP A 36 1.089 9.324 6.963 1.00 0.00 O ATOM 495 CB TRP A 36 1.255 7.041 4.513 1.00 0.00 C ATOM 496 CG TRP A 36 2.036 6.384 3.424 1.00 0.00 C ATOM 497 CD1 TRP A 36 1.581 6.128 2.181 1.00 0.00 C ATOM 498 CD2 TRP A 36 3.372 5.808 3.478 1.00 0.00 C ATOM 499 NE1 TRP A 36 2.562 5.504 1.447 1.00 0.00 N ATOM 500 CE2 TRP A 36 3.634 5.162 2.241 1.00 0.00 C ATOM 501 CE3 TRP A 36 4.367 5.696 4.466 1.00 0.00 C ATOM 502 CZ2 TRP A 36 4.777 4.381 2.044 1.00 0.00 C ATOM 503 CZ3 TRP A 36 5.586 5.059 4.222 1.00 0.00 C ATOM 504 CH2 TRP A 36 5.792 4.396 3.011 1.00 0.00 C ATOM 0 H TRP A 36 3.245 7.722 5.877 1.00 0.00 H new ATOM 0 HA TRP A 36 1.563 9.060 3.860 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.380 6.465 5.430 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.196 7.005 4.256 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.595 6.376 1.817 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.503 5.319 0.446 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.183 6.116 5.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.877 3.773 1.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.367 5.079 4.968 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.730 3.896 2.820 1.00 0.00 H new ATOM 515 N SER A 37 -0.489 9.488 5.364 1.00 0.00 N ATOM 516 CA SER A 37 -1.551 9.976 6.216 1.00 0.00 C ATOM 517 C SER A 37 -2.079 8.773 6.988 1.00 0.00 C ATOM 518 O SER A 37 -1.517 8.527 8.075 1.00 0.00 O ATOM 519 CB SER A 37 -2.637 10.565 5.311 1.00 0.00 C ATOM 520 OG SER A 37 -2.788 9.712 4.186 1.00 0.00 O ATOM 521 OXT SER A 37 -2.483 7.836 6.270 1.00 0.00 O ATOM 0 H SER A 37 -0.755 9.431 4.381 1.00 0.00 H new ATOM 0 HA SER A 37 -1.218 10.745 6.913 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.579 10.649 5.853 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.362 11.570 4.992 1.00 0.00 H new ATOM 0 HG SER A 37 -2.739 8.777 4.475 1.00 0.00 H new TER 527 SER A 37