USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 392 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 Set 1.1: X 16 GLN : amide:sc= -1.95! X(o=-2.5!,f=-2.8) USER MOD Set 1.2: X 20 MET CE :methyl 136:sc= -0.56 (180deg=-1.91) USER MOD Set 2.1: X 1 GLY N :NH3+ -125:sc= 0.0571 (180deg=0) USER MOD Set 2.2: X 34 GLN :FLIP amide:sc= -0.166 F(o=-0.82!,f=-0.11) USER MOD Single : X 2 SER OG : rot 180:sc= 0 USER MOD Single : X 13 SER OG : rot 110:sc= -0.328 USER MOD Single : X 15 SER OG : rot -160:sc= -1.12! USER MOD Single : X 17 MET CE :methyl -173:sc= -3.18! (180deg=-3.71) USER MOD Single : X 19 SER OG : rot 180:sc= 0.00594 USER MOD Single : X 23 SER OG : rot -6:sc= 0.216 USER MOD Single : X 30 THR OG1 : rot 180:sc=0.000877 USER MOD Single : X 35 THR OG1 : rot -18:sc= 0.626 USER MOD Single : X 36 LYS NZ :NH3+ 169:sc= -0.0189 (180deg=-0.181) USER MOD Single : X 37 ASN :FLIP amide:sc= -0.0698 F(o=-1.1,f=-0.07) USER MOD Single : X 38 TYR OH : rot 165:sc= 0 USER MOD Single : X 46 THR OG1 : rot 115:sc= 2.17 USER MOD Single : X 48 GLN :FLIP amide:sc= -1.27! C(o=-2.4!,f=-1.3!) USER MOD Single : X 49 TYR OH : rot 180:sc= 0 USER MOD Single : X 50 SER OG : rot 92:sc= 1.08 USER MOD Single : X 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 52 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 28.913 -4.543 -3.327 1.00 0.00 N ATOM 2 CA GLY X 1 27.763 -3.835 -3.940 1.00 0.00 C ATOM 3 C GLY X 1 27.956 -2.337 -3.941 1.00 0.00 C ATOM 4 O GLY X 1 29.047 -1.846 -3.644 1.00 0.00 O ATOM 0 H1 GLY X 1 29.283 -5.248 -3.996 1.00 0.00 H new ATOM 0 H2 GLY X 1 29.660 -3.857 -3.097 1.00 0.00 H new ATOM 0 H3 GLY X 1 28.603 -5.021 -2.457 1.00 0.00 H new ATOM 0 HA2 GLY X 1 27.627 -4.184 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY X 1 26.852 -4.083 -3.395 1.00 0.00 H new ATOM 10 N SER X 2 26.906 -1.605 -4.285 1.00 0.00 N ATOM 11 CA SER X 2 26.977 -0.153 -4.337 1.00 0.00 C ATOM 12 C SER X 2 26.227 0.469 -3.166 1.00 0.00 C ATOM 13 O SER X 2 25.014 0.667 -3.231 1.00 0.00 O ATOM 14 CB SER X 2 26.404 0.356 -5.658 1.00 0.00 C ATOM 15 OG SER X 2 27.060 -0.250 -6.761 1.00 0.00 O ATOM 0 H SER X 2 25.996 -1.993 -4.532 1.00 0.00 H new ATOM 0 HA SER X 2 28.025 0.140 -4.268 1.00 0.00 H new ATOM 0 HB2 SER X 2 25.336 0.142 -5.702 1.00 0.00 H new ATOM 0 HB3 SER X 2 26.515 1.439 -5.714 1.00 0.00 H new ATOM 0 HG SER X 2 26.676 0.089 -7.597 1.00 0.00 H new ATOM 21 N PRO X 3 26.957 0.851 -2.109 1.00 0.00 N ATOM 22 CA PRO X 3 26.392 1.536 -0.955 1.00 0.00 C ATOM 23 C PRO X 3 26.259 3.031 -1.241 1.00 0.00 C ATOM 24 O PRO X 3 26.666 3.478 -2.316 1.00 0.00 O ATOM 25 CB PRO X 3 27.434 1.271 0.154 1.00 0.00 C ATOM 26 CG PRO X 3 28.575 0.543 -0.498 1.00 0.00 C ATOM 27 CD PRO X 3 28.410 0.729 -1.977 1.00 0.00 C ATOM 0 HA PRO X 3 25.393 1.192 -0.687 1.00 0.00 H new ATOM 0 HB2 PRO X 3 27.774 2.206 0.598 1.00 0.00 H new ATOM 0 HB3 PRO X 3 27.002 0.675 0.958 1.00 0.00 H new ATOM 0 HG2 PRO X 3 29.532 0.941 -0.161 1.00 0.00 H new ATOM 0 HG3 PRO X 3 28.560 -0.515 -0.236 1.00 0.00 H new ATOM 0 HD2 PRO X 3 28.928 1.618 -2.337 1.00 0.00 H new ATOM 0 HD3 PRO X 3 28.801 -0.118 -2.541 1.00 0.00 H new ATOM 35 N PRO X 4 25.737 3.840 -0.287 1.00 0.00 N ATOM 36 CA PRO X 4 25.636 5.292 -0.471 1.00 0.00 C ATOM 37 C PRO X 4 26.951 5.881 -0.959 1.00 0.00 C ATOM 38 O PRO X 4 28.022 5.490 -0.501 1.00 0.00 O ATOM 39 CB PRO X 4 25.297 5.807 0.930 1.00 0.00 C ATOM 40 CG PRO X 4 24.609 4.665 1.592 1.00 0.00 C ATOM 41 CD PRO X 4 25.255 3.422 1.046 1.00 0.00 C ATOM 0 HA PRO X 4 24.895 5.569 -1.221 1.00 0.00 H new ATOM 0 HB2 PRO X 4 26.196 6.098 1.474 1.00 0.00 H new ATOM 0 HB3 PRO X 4 24.653 6.686 0.885 1.00 0.00 H new ATOM 0 HG2 PRO X 4 24.718 4.718 2.675 1.00 0.00 H new ATOM 0 HG3 PRO X 4 23.540 4.676 1.378 1.00 0.00 H new ATOM 0 HD2 PRO X 4 26.074 3.083 1.681 1.00 0.00 H new ATOM 0 HD3 PRO X 4 24.545 2.598 0.976 1.00 0.00 H new ATOM 49 N GLU X 5 26.875 6.745 -1.956 1.00 0.00 N ATOM 50 CA GLU X 5 28.076 7.290 -2.564 1.00 0.00 C ATOM 51 C GLU X 5 28.638 8.383 -1.675 1.00 0.00 C ATOM 52 O GLU X 5 27.951 9.378 -1.424 1.00 0.00 O ATOM 53 CB GLU X 5 27.777 7.827 -3.964 1.00 0.00 C ATOM 54 CG GLU X 5 29.012 7.945 -4.841 1.00 0.00 C ATOM 55 CD GLU X 5 28.674 8.272 -6.274 1.00 0.00 C ATOM 56 OE1 GLU X 5 27.878 7.527 -6.878 1.00 0.00 O ATOM 57 OE2 GLU X 5 29.218 9.258 -6.803 1.00 0.00 O ATOM 0 H GLU X 5 26.001 7.082 -2.359 1.00 0.00 H new ATOM 0 HA GLU X 5 28.818 6.498 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU X 5 27.056 7.170 -4.451 1.00 0.00 H new ATOM 0 HB3 GLU X 5 27.307 8.807 -3.877 1.00 0.00 H new ATOM 0 HG2 GLU X 5 29.666 8.719 -4.440 1.00 0.00 H new ATOM 0 HG3 GLU X 5 29.569 7.008 -4.807 1.00 0.00 H new ATOM 64 N ALA X 6 29.763 8.065 -1.028 1.00 0.00 N ATOM 65 CA ALA X 6 30.315 8.876 0.057 1.00 0.00 C ATOM 66 C ALA X 6 29.552 8.552 1.323 1.00 0.00 C ATOM 67 O ALA X 6 29.097 9.433 2.057 1.00 0.00 O ATOM 68 CB ALA X 6 30.293 10.373 -0.243 1.00 0.00 C ATOM 0 H ALA X 6 30.317 7.236 -1.244 1.00 0.00 H new ATOM 0 HA ALA X 6 31.369 8.627 0.177 1.00 0.00 H new ATOM 0 HB1 ALA X 6 30.716 10.919 0.600 1.00 0.00 H new ATOM 0 HB2 ALA X 6 30.883 10.574 -1.138 1.00 0.00 H new ATOM 0 HB3 ALA X 6 29.265 10.696 -0.406 1.00 0.00 H new ATOM 74 N ASP X 7 29.462 7.258 1.572 1.00 0.00 N ATOM 75 CA ASP X 7 28.816 6.717 2.749 1.00 0.00 C ATOM 76 C ASP X 7 29.792 6.823 3.891 1.00 0.00 C ATOM 77 O ASP X 7 30.946 6.480 3.701 1.00 0.00 O ATOM 78 CB ASP X 7 28.478 5.237 2.483 1.00 0.00 C ATOM 79 CG ASP X 7 27.689 4.551 3.580 1.00 0.00 C ATOM 80 OD1 ASP X 7 27.182 5.236 4.479 1.00 0.00 O ATOM 81 OD2 ASP X 7 27.558 3.313 3.523 1.00 0.00 O ATOM 0 H ASP X 7 29.843 6.544 0.951 1.00 0.00 H new ATOM 0 HA ASP X 7 27.900 7.257 2.987 1.00 0.00 H new ATOM 0 HB2 ASP X 7 27.912 5.171 1.554 1.00 0.00 H new ATOM 0 HB3 ASP X 7 29.408 4.690 2.329 1.00 0.00 H new ATOM 86 N PRO X 8 29.375 7.308 5.075 1.00 0.00 N ATOM 87 CA PRO X 8 30.263 7.441 6.243 1.00 0.00 C ATOM 88 C PRO X 8 31.214 6.243 6.409 1.00 0.00 C ATOM 89 O PRO X 8 32.327 6.385 6.909 1.00 0.00 O ATOM 90 CB PRO X 8 29.277 7.500 7.404 1.00 0.00 C ATOM 91 CG PRO X 8 28.041 8.118 6.836 1.00 0.00 C ATOM 92 CD PRO X 8 28.013 7.791 5.362 1.00 0.00 C ATOM 0 HA PRO X 8 30.921 8.306 6.163 1.00 0.00 H new ATOM 0 HB2 PRO X 8 29.074 6.505 7.799 1.00 0.00 H new ATOM 0 HB3 PRO X 8 29.673 8.095 8.227 1.00 0.00 H new ATOM 0 HG2 PRO X 8 27.153 7.728 7.333 1.00 0.00 H new ATOM 0 HG3 PRO X 8 28.045 9.197 6.990 1.00 0.00 H new ATOM 0 HD2 PRO X 8 27.265 7.031 5.136 1.00 0.00 H new ATOM 0 HD3 PRO X 8 27.767 8.668 4.764 1.00 0.00 H new ATOM 100 N ARG X 9 30.790 5.090 5.896 1.00 0.00 N ATOM 101 CA ARG X 9 31.608 3.884 5.877 1.00 0.00 C ATOM 102 C ARG X 9 32.749 3.967 4.854 1.00 0.00 C ATOM 103 O ARG X 9 33.893 3.652 5.176 1.00 0.00 O ATOM 104 CB ARG X 9 30.727 2.682 5.552 1.00 0.00 C ATOM 105 CG ARG X 9 29.655 2.427 6.602 1.00 0.00 C ATOM 106 CD ARG X 9 28.902 1.134 6.342 1.00 0.00 C ATOM 107 NE ARG X 9 28.259 1.122 5.030 1.00 0.00 N ATOM 108 CZ ARG X 9 27.477 0.138 4.602 1.00 0.00 C ATOM 109 NH1 ARG X 9 27.215 -0.894 5.393 1.00 0.00 N ATOM 110 NH2 ARG X 9 26.949 0.193 3.388 1.00 0.00 N ATOM 0 H ARG X 9 29.866 4.968 5.481 1.00 0.00 H new ATOM 0 HA ARG X 9 32.058 3.777 6.864 1.00 0.00 H new ATOM 0 HB2 ARG X 9 30.250 2.840 4.585 1.00 0.00 H new ATOM 0 HB3 ARG X 9 31.353 1.795 5.458 1.00 0.00 H new ATOM 0 HG2 ARG X 9 30.116 2.386 7.589 1.00 0.00 H new ATOM 0 HG3 ARG X 9 28.952 3.260 6.613 1.00 0.00 H new ATOM 0 HD2 ARG X 9 29.592 0.293 6.414 1.00 0.00 H new ATOM 0 HD3 ARG X 9 28.147 0.994 7.116 1.00 0.00 H new ATOM 0 HE ARG X 9 28.420 1.914 4.408 1.00 0.00 H new ATOM 0 HH11 ARG X 9 27.614 -0.932 6.331 1.00 0.00 H new ATOM 0 HH12 ARG X 9 26.614 -1.650 5.063 1.00 0.00 H new ATOM 0 HH21 ARG X 9 27.143 0.991 2.783 1.00 0.00 H new ATOM 0 HH22 ARG X 9 26.348 -0.563 3.058 1.00 0.00 H new ATOM 124 N LEU X 10 32.425 4.281 3.597 1.00 0.00 N ATOM 125 CA LEU X 10 33.418 4.265 2.529 1.00 0.00 C ATOM 126 C LEU X 10 34.012 5.642 2.273 1.00 0.00 C ATOM 127 O LEU X 10 35.132 5.738 1.806 1.00 0.00 O ATOM 128 CB LEU X 10 32.829 3.719 1.228 1.00 0.00 C ATOM 129 CG LEU X 10 32.216 2.323 1.319 1.00 0.00 C ATOM 130 CD1 LEU X 10 30.727 2.417 1.600 1.00 0.00 C ATOM 131 CD2 LEU X 10 32.480 1.538 0.042 1.00 0.00 C ATOM 0 H LEU X 10 31.487 4.548 3.299 1.00 0.00 H new ATOM 0 HA LEU X 10 34.216 3.605 2.868 1.00 0.00 H new ATOM 0 HB2 LEU X 10 32.063 4.411 0.878 1.00 0.00 H new ATOM 0 HB3 LEU X 10 33.614 3.703 0.472 1.00 0.00 H new ATOM 0 HG LEU X 10 32.686 1.790 2.145 1.00 0.00 H new ATOM 0 HD11 LEU X 10 30.304 1.414 1.662 1.00 0.00 H new ATOM 0 HD12 LEU X 10 30.567 2.937 2.544 1.00 0.00 H new ATOM 0 HD13 LEU X 10 30.239 2.967 0.796 1.00 0.00 H new ATOM 0 HD21 LEU X 10 32.036 0.546 0.126 1.00 0.00 H new ATOM 0 HD22 LEU X 10 32.039 2.063 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU X 10 33.555 1.442 -0.110 1.00 0.00 H new ATOM 143 N ILE X 11 33.301 6.703 2.625 1.00 0.00 N ATOM 144 CA ILE X 11 33.844 8.048 2.463 1.00 0.00 C ATOM 145 C ILE X 11 35.085 8.193 3.342 1.00 0.00 C ATOM 146 O ILE X 11 36.043 8.890 3.002 1.00 0.00 O ATOM 147 CB ILE X 11 32.781 9.137 2.794 1.00 0.00 C ATOM 148 CG1 ILE X 11 33.190 10.513 2.240 1.00 0.00 C ATOM 149 CG2 ILE X 11 32.523 9.224 4.293 1.00 0.00 C ATOM 150 CD1 ILE X 11 34.150 11.289 3.122 1.00 0.00 C ATOM 0 H ILE X 11 32.361 6.664 3.019 1.00 0.00 H new ATOM 0 HA ILE X 11 34.125 8.196 1.420 1.00 0.00 H new ATOM 0 HB ILE X 11 31.854 8.837 2.305 1.00 0.00 H new ATOM 0 HG12 ILE X 11 33.648 10.374 1.261 1.00 0.00 H new ATOM 0 HG13 ILE X 11 32.291 11.111 2.089 1.00 0.00 H new ATOM 0 HG21 ILE X 11 31.776 9.993 4.490 1.00 0.00 H new ATOM 0 HG22 ILE X 11 32.158 8.263 4.656 1.00 0.00 H new ATOM 0 HG23 ILE X 11 33.450 9.478 4.808 1.00 0.00 H new ATOM 0 HD11 ILE X 11 34.383 12.245 2.653 1.00 0.00 H new ATOM 0 HD12 ILE X 11 33.690 11.464 4.094 1.00 0.00 H new ATOM 0 HD13 ILE X 11 35.068 10.716 3.253 1.00 0.00 H new ATOM 162 N GLU X 12 35.096 7.430 4.422 1.00 0.00 N ATOM 163 CA GLU X 12 36.256 7.373 5.302 1.00 0.00 C ATOM 164 C GLU X 12 37.186 6.212 4.934 1.00 0.00 C ATOM 165 O GLU X 12 38.344 6.191 5.336 1.00 0.00 O ATOM 166 CB GLU X 12 35.808 7.247 6.760 1.00 0.00 C ATOM 167 CG GLU X 12 34.872 8.362 7.204 1.00 0.00 C ATOM 168 CD GLU X 12 34.461 8.242 8.654 1.00 0.00 C ATOM 169 OE1 GLU X 12 34.986 7.354 9.354 1.00 0.00 O ATOM 170 OE2 GLU X 12 33.620 9.047 9.099 1.00 0.00 O ATOM 0 H GLU X 12 34.316 6.841 4.712 1.00 0.00 H new ATOM 0 HA GLU X 12 36.814 8.301 5.176 1.00 0.00 H new ATOM 0 HB2 GLU X 12 35.309 6.288 6.897 1.00 0.00 H new ATOM 0 HB3 GLU X 12 36.688 7.244 7.404 1.00 0.00 H new ATOM 0 HG2 GLU X 12 35.361 9.324 7.049 1.00 0.00 H new ATOM 0 HG3 GLU X 12 33.981 8.353 6.577 1.00 0.00 H new ATOM 177 N SER X 13 36.652 5.204 4.249 1.00 0.00 N ATOM 178 CA SER X 13 37.427 4.006 3.925 1.00 0.00 C ATOM 179 C SER X 13 37.996 4.021 2.498 1.00 0.00 C ATOM 180 O SER X 13 39.201 3.888 2.300 1.00 0.00 O ATOM 181 CB SER X 13 36.572 2.751 4.138 1.00 0.00 C ATOM 182 OG SER X 13 37.323 1.564 3.943 1.00 0.00 O ATOM 0 H SER X 13 35.691 5.191 3.908 1.00 0.00 H new ATOM 0 HA SER X 13 38.281 3.994 4.602 1.00 0.00 H new ATOM 0 HB2 SER X 13 36.160 2.759 5.147 1.00 0.00 H new ATOM 0 HB3 SER X 13 35.728 2.765 3.449 1.00 0.00 H new ATOM 0 HG SER X 13 37.455 1.115 4.804 1.00 0.00 H new ATOM 188 N LEU X 14 37.120 4.078 1.505 1.00 0.00 N ATOM 189 CA LEU X 14 37.528 3.971 0.119 1.00 0.00 C ATOM 190 C LEU X 14 37.772 5.349 -0.449 1.00 0.00 C ATOM 191 O LEU X 14 38.681 5.553 -1.248 1.00 0.00 O ATOM 192 CB LEU X 14 36.434 3.231 -0.674 1.00 0.00 C ATOM 193 CG LEU X 14 36.799 2.782 -2.095 1.00 0.00 C ATOM 194 CD1 LEU X 14 35.913 1.623 -2.517 1.00 0.00 C ATOM 195 CD2 LEU X 14 36.643 3.924 -3.087 1.00 0.00 C ATOM 0 H LEU X 14 36.116 4.199 1.639 1.00 0.00 H new ATOM 0 HA LEU X 14 38.457 3.405 0.045 1.00 0.00 H new ATOM 0 HB2 LEU X 14 36.137 2.350 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU X 14 35.560 3.880 -0.736 1.00 0.00 H new ATOM 0 HG LEU X 14 37.842 2.465 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU X 14 36.179 1.311 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU X 14 36.054 0.788 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU X 14 34.869 1.937 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU X 14 36.908 3.577 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU X 14 35.609 4.269 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU X 14 37.300 4.746 -2.802 1.00 0.00 H new ATOM 207 N SER X 15 36.909 6.279 -0.083 1.00 0.00 N ATOM 208 CA SER X 15 36.979 7.616 -0.621 1.00 0.00 C ATOM 209 C SER X 15 38.242 8.347 -0.174 1.00 0.00 C ATOM 210 O SER X 15 38.717 9.245 -0.870 1.00 0.00 O ATOM 211 CB SER X 15 35.742 8.424 -0.235 1.00 0.00 C ATOM 212 OG SER X 15 34.557 7.755 -0.633 1.00 0.00 O ATOM 0 H SER X 15 36.153 6.128 0.585 1.00 0.00 H new ATOM 0 HA SER X 15 37.016 7.520 -1.706 1.00 0.00 H new ATOM 0 HB2 SER X 15 35.729 8.585 0.843 1.00 0.00 H new ATOM 0 HB3 SER X 15 35.784 9.407 -0.703 1.00 0.00 H new ATOM 0 HG SER X 15 33.817 8.396 -0.674 1.00 0.00 H new ATOM 218 N GLN X 16 38.786 7.974 0.987 1.00 0.00 N ATOM 219 CA GLN X 16 39.987 8.631 1.492 1.00 0.00 C ATOM 220 C GLN X 16 41.200 8.286 0.637 1.00 0.00 C ATOM 221 O GLN X 16 42.126 9.083 0.516 1.00 0.00 O ATOM 222 CB GLN X 16 40.244 8.287 2.974 1.00 0.00 C ATOM 223 CG GLN X 16 40.401 6.801 3.296 1.00 0.00 C ATOM 224 CD GLN X 16 41.784 6.254 2.989 1.00 0.00 C ATOM 225 OE1 GLN X 16 42.794 6.886 3.286 1.00 0.00 O ATOM 226 NE2 GLN X 16 41.833 5.060 2.417 1.00 0.00 N ATOM 0 H GLN X 16 38.419 7.233 1.584 1.00 0.00 H new ATOM 0 HA GLN X 16 39.820 9.706 1.428 1.00 0.00 H new ATOM 0 HB2 GLN X 16 41.146 8.806 3.296 1.00 0.00 H new ATOM 0 HB3 GLN X 16 39.420 8.683 3.567 1.00 0.00 H new ATOM 0 HG2 GLN X 16 40.183 6.642 4.352 1.00 0.00 H new ATOM 0 HG3 GLN X 16 39.662 6.235 2.729 1.00 0.00 H new ATOM 0 HE21 GLN X 16 40.969 4.569 2.187 1.00 0.00 H new ATOM 0 HE22 GLN X 16 42.735 4.632 2.207 1.00 0.00 H new ATOM 235 N MET X 17 41.196 7.096 0.050 1.00 0.00 N ATOM 236 CA MET X 17 42.308 6.660 -0.780 1.00 0.00 C ATOM 237 C MET X 17 42.031 6.918 -2.252 1.00 0.00 C ATOM 238 O MET X 17 42.955 7.177 -3.020 1.00 0.00 O ATOM 239 CB MET X 17 42.609 5.176 -0.544 1.00 0.00 C ATOM 240 CG MET X 17 41.398 4.263 -0.670 1.00 0.00 C ATOM 241 SD MET X 17 41.743 2.579 -0.129 1.00 0.00 S ATOM 242 CE MET X 17 42.969 2.076 -1.331 1.00 0.00 C ATOM 0 H MET X 17 40.438 6.419 0.134 1.00 0.00 H new ATOM 0 HA MET X 17 43.184 7.242 -0.495 1.00 0.00 H new ATOM 0 HB2 MET X 17 43.368 4.854 -1.257 1.00 0.00 H new ATOM 0 HB3 MET X 17 43.036 5.058 0.452 1.00 0.00 H new ATOM 0 HG2 MET X 17 40.577 4.670 -0.079 1.00 0.00 H new ATOM 0 HG3 MET X 17 41.066 4.247 -1.708 1.00 0.00 H new ATOM 0 HE1 MET X 17 43.189 1.016 -1.204 1.00 0.00 H new ATOM 0 HE2 MET X 17 42.585 2.249 -2.336 1.00 0.00 H new ATOM 0 HE3 MET X 17 43.880 2.656 -1.186 1.00 0.00 H new ATOM 252 N LEU X 18 40.760 6.818 -2.640 1.00 0.00 N ATOM 253 CA LEU X 18 40.366 7.004 -4.034 1.00 0.00 C ATOM 254 C LEU X 18 40.841 8.352 -4.578 1.00 0.00 C ATOM 255 O LEU X 18 41.300 8.444 -5.717 1.00 0.00 O ATOM 256 CB LEU X 18 38.844 6.894 -4.170 1.00 0.00 C ATOM 257 CG LEU X 18 38.298 7.043 -5.594 1.00 0.00 C ATOM 258 CD1 LEU X 18 38.832 5.944 -6.496 1.00 0.00 C ATOM 259 CD2 LEU X 18 36.781 7.024 -5.584 1.00 0.00 C ATOM 0 H LEU X 18 39.987 6.609 -2.008 1.00 0.00 H new ATOM 0 HA LEU X 18 40.842 6.218 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU X 18 38.530 5.926 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU X 18 38.384 7.656 -3.541 1.00 0.00 H new ATOM 0 HG LEU X 18 38.634 8.002 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU X 18 38.430 6.071 -7.501 1.00 0.00 H new ATOM 0 HD12 LEU X 18 39.920 5.998 -6.530 1.00 0.00 H new ATOM 0 HD13 LEU X 18 38.529 4.973 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU X 18 36.409 7.131 -6.603 1.00 0.00 H new ATOM 0 HD22 LEU X 18 36.432 6.079 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU X 18 36.411 7.848 -4.974 1.00 0.00 H new ATOM 271 N SER X 19 40.677 9.399 -3.782 1.00 0.00 N ATOM 272 CA SER X 19 41.033 10.746 -4.210 1.00 0.00 C ATOM 273 C SER X 19 42.403 11.185 -3.683 1.00 0.00 C ATOM 274 O SER X 19 42.745 12.367 -3.748 1.00 0.00 O ATOM 275 CB SER X 19 39.956 11.730 -3.753 1.00 0.00 C ATOM 276 OG SER X 19 39.652 11.550 -2.378 1.00 0.00 O ATOM 0 H SER X 19 40.300 9.343 -2.836 1.00 0.00 H new ATOM 0 HA SER X 19 41.096 10.739 -5.298 1.00 0.00 H new ATOM 0 HB2 SER X 19 40.296 12.752 -3.923 1.00 0.00 H new ATOM 0 HB3 SER X 19 39.054 11.591 -4.350 1.00 0.00 H new ATOM 0 HG SER X 19 38.962 12.192 -2.109 1.00 0.00 H new ATOM 282 N MET X 20 43.158 10.257 -3.101 1.00 0.00 N ATOM 283 CA MET X 20 44.446 10.607 -2.501 1.00 0.00 C ATOM 284 C MET X 20 45.616 10.015 -3.291 1.00 0.00 C ATOM 285 O MET X 20 46.769 10.397 -3.086 1.00 0.00 O ATOM 286 CB MET X 20 44.492 10.143 -1.043 1.00 0.00 C ATOM 287 CG MET X 20 45.661 10.709 -0.252 1.00 0.00 C ATOM 288 SD MET X 20 45.514 10.428 1.525 1.00 0.00 S ATOM 289 CE MET X 20 45.358 8.646 1.589 1.00 0.00 C ATOM 0 H MET X 20 42.907 9.271 -3.031 1.00 0.00 H new ATOM 0 HA MET X 20 44.546 11.692 -2.532 1.00 0.00 H new ATOM 0 HB2 MET X 20 43.562 10.428 -0.552 1.00 0.00 H new ATOM 0 HB3 MET X 20 44.544 9.054 -1.020 1.00 0.00 H new ATOM 0 HG2 MET X 20 46.587 10.258 -0.610 1.00 0.00 H new ATOM 0 HG3 MET X 20 45.735 11.780 -0.440 1.00 0.00 H new ATOM 0 HE1 MET X 20 45.987 8.254 2.388 1.00 0.00 H new ATOM 0 HE2 MET X 20 44.319 8.378 1.781 1.00 0.00 H new ATOM 0 HE3 MET X 20 45.673 8.219 0.637 1.00 0.00 H new ATOM 299 N GLY X 21 45.327 9.093 -4.197 1.00 0.00 N ATOM 300 CA GLY X 21 46.381 8.491 -4.992 1.00 0.00 C ATOM 301 C GLY X 21 46.539 7.015 -4.715 1.00 0.00 C ATOM 302 O GLY X 21 47.506 6.391 -5.153 1.00 0.00 O ATOM 0 H GLY X 21 44.387 8.751 -4.397 1.00 0.00 H new ATOM 0 HA2 GLY X 21 46.164 8.638 -6.050 1.00 0.00 H new ATOM 0 HA3 GLY X 21 47.323 8.999 -4.786 1.00 0.00 H new ATOM 306 N PHE X 22 45.502 6.418 -4.152 1.00 0.00 N ATOM 307 CA PHE X 22 45.445 4.985 -4.012 1.00 0.00 C ATOM 308 C PHE X 22 44.281 4.490 -4.830 1.00 0.00 C ATOM 309 O PHE X 22 43.405 5.272 -5.202 1.00 0.00 O ATOM 310 CB PHE X 22 45.275 4.569 -2.552 1.00 0.00 C ATOM 311 CG PHE X 22 46.408 4.981 -1.655 1.00 0.00 C ATOM 312 CD1 PHE X 22 47.722 4.735 -2.017 1.00 0.00 C ATOM 313 CD2 PHE X 22 46.156 5.584 -0.435 1.00 0.00 C ATOM 314 CE1 PHE X 22 48.761 5.088 -1.181 1.00 0.00 C ATOM 315 CE2 PHE X 22 47.194 5.943 0.403 1.00 0.00 C ATOM 316 CZ PHE X 22 48.498 5.692 0.029 1.00 0.00 C ATOM 0 H PHE X 22 44.688 6.912 -3.785 1.00 0.00 H new ATOM 0 HA PHE X 22 46.381 4.549 -4.362 1.00 0.00 H new ATOM 0 HB2 PHE X 22 44.349 4.999 -2.169 1.00 0.00 H new ATOM 0 HB3 PHE X 22 45.166 3.485 -2.506 1.00 0.00 H new ATOM 0 HD1 PHE X 22 47.936 4.262 -2.964 1.00 0.00 H new ATOM 0 HD2 PHE X 22 45.137 5.776 -0.135 1.00 0.00 H new ATOM 0 HE1 PHE X 22 49.781 4.891 -1.475 1.00 0.00 H new ATOM 0 HE2 PHE X 22 46.985 6.419 1.349 1.00 0.00 H new ATOM 0 HZ PHE X 22 49.311 5.969 0.684 1.00 0.00 H new ATOM 326 N SER X 23 44.253 3.212 -5.115 1.00 0.00 N ATOM 327 CA SER X 23 43.167 2.665 -5.895 1.00 0.00 C ATOM 328 C SER X 23 42.996 1.186 -5.580 1.00 0.00 C ATOM 329 O SER X 23 43.137 0.775 -4.428 1.00 0.00 O ATOM 330 CB SER X 23 43.422 2.875 -7.396 1.00 0.00 C ATOM 331 OG SER X 23 43.585 4.254 -7.709 1.00 0.00 O ATOM 0 H SER X 23 44.960 2.537 -4.824 1.00 0.00 H new ATOM 0 HA SER X 23 42.247 3.187 -5.632 1.00 0.00 H new ATOM 0 HB2 SER X 23 44.314 2.325 -7.695 1.00 0.00 H new ATOM 0 HB3 SER X 23 42.589 2.467 -7.968 1.00 0.00 H new ATOM 0 HG SER X 23 43.400 4.794 -6.912 1.00 0.00 H new ATOM 337 N ASP X 24 42.769 0.375 -6.604 1.00 0.00 N ATOM 338 CA ASP X 24 42.671 -1.060 -6.419 1.00 0.00 C ATOM 339 C ASP X 24 43.864 -1.771 -7.043 1.00 0.00 C ATOM 340 O ASP X 24 44.041 -1.771 -8.257 1.00 0.00 O ATOM 341 CB ASP X 24 41.356 -1.608 -6.997 1.00 0.00 C ATOM 342 CG ASP X 24 41.064 -1.175 -8.424 1.00 0.00 C ATOM 343 OD1 ASP X 24 41.836 -0.382 -8.996 1.00 0.00 O ATOM 344 OD2 ASP X 24 40.048 -1.631 -8.977 1.00 0.00 O ATOM 0 H ASP X 24 42.650 0.688 -7.567 1.00 0.00 H new ATOM 0 HA ASP X 24 42.676 -1.255 -5.347 1.00 0.00 H new ATOM 0 HB2 ASP X 24 41.384 -2.697 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP X 24 40.532 -1.288 -6.358 1.00 0.00 H new ATOM 349 N GLU X 25 44.655 -2.424 -6.207 1.00 0.00 N ATOM 350 CA GLU X 25 45.798 -3.185 -6.684 1.00 0.00 C ATOM 351 C GLU X 25 45.374 -4.580 -7.133 1.00 0.00 C ATOM 352 O GLU X 25 45.904 -5.591 -6.665 1.00 0.00 O ATOM 353 CB GLU X 25 46.847 -3.273 -5.588 1.00 0.00 C ATOM 354 CG GLU X 25 47.952 -2.239 -5.717 1.00 0.00 C ATOM 355 CD GLU X 25 49.157 -2.763 -6.464 1.00 0.00 C ATOM 356 OE1 GLU X 25 49.162 -3.958 -6.818 1.00 0.00 O ATOM 357 OE2 GLU X 25 50.108 -1.989 -6.679 1.00 0.00 O ATOM 0 H GLU X 25 44.527 -2.442 -5.195 1.00 0.00 H new ATOM 0 HA GLU X 25 46.225 -2.673 -7.546 1.00 0.00 H new ATOM 0 HB2 GLU X 25 46.360 -3.153 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU X 25 47.290 -4.269 -5.600 1.00 0.00 H new ATOM 0 HG2 GLU X 25 47.564 -1.361 -6.233 1.00 0.00 H new ATOM 0 HG3 GLU X 25 48.259 -1.915 -4.722 1.00 0.00 H new ATOM 364 N GLY X 26 44.405 -4.621 -8.027 1.00 0.00 N ATOM 365 CA GLY X 26 43.899 -5.882 -8.522 1.00 0.00 C ATOM 366 C GLY X 26 42.388 -5.912 -8.597 1.00 0.00 C ATOM 367 O GLY X 26 41.797 -6.927 -8.959 1.00 0.00 O ATOM 0 H GLY X 26 43.955 -3.796 -8.423 1.00 0.00 H new ATOM 0 HA2 GLY X 26 44.312 -6.072 -9.513 1.00 0.00 H new ATOM 0 HA3 GLY X 26 44.243 -6.688 -7.873 1.00 0.00 H new ATOM 371 N GLY X 27 41.757 -4.793 -8.262 1.00 0.00 N ATOM 372 CA GLY X 27 40.308 -4.717 -8.314 1.00 0.00 C ATOM 373 C GLY X 27 39.654 -5.172 -7.027 1.00 0.00 C ATOM 374 O GLY X 27 38.446 -5.397 -6.982 1.00 0.00 O ATOM 0 H GLY X 27 42.221 -3.938 -7.956 1.00 0.00 H new ATOM 0 HA2 GLY X 27 40.009 -3.690 -8.526 1.00 0.00 H new ATOM 0 HA3 GLY X 27 39.945 -5.331 -9.138 1.00 0.00 H new ATOM 378 N TRP X 28 40.446 -5.300 -5.969 1.00 0.00 N ATOM 379 CA TRP X 28 39.929 -5.722 -4.680 1.00 0.00 C ATOM 380 C TRP X 28 39.391 -4.541 -3.896 1.00 0.00 C ATOM 381 O TRP X 28 38.778 -4.728 -2.862 1.00 0.00 O ATOM 382 CB TRP X 28 41.007 -6.430 -3.854 1.00 0.00 C ATOM 383 CG TRP X 28 42.275 -5.645 -3.765 1.00 0.00 C ATOM 384 CD1 TRP X 28 43.417 -5.864 -4.469 1.00 0.00 C ATOM 385 CD2 TRP X 28 42.518 -4.490 -2.952 1.00 0.00 C ATOM 386 NE1 TRP X 28 44.356 -4.924 -4.139 1.00 0.00 N ATOM 387 CE2 TRP X 28 43.825 -4.068 -3.215 1.00 0.00 C ATOM 388 CE3 TRP X 28 41.755 -3.774 -2.028 1.00 0.00 C ATOM 389 CZ2 TRP X 28 44.384 -2.963 -2.593 1.00 0.00 C ATOM 390 CZ3 TRP X 28 42.308 -2.677 -1.410 1.00 0.00 C ATOM 391 CH2 TRP X 28 43.612 -2.278 -1.696 1.00 0.00 C ATOM 0 H TRP X 28 41.449 -5.117 -5.982 1.00 0.00 H new ATOM 0 HA TRP X 28 39.116 -6.422 -4.874 1.00 0.00 H new ATOM 0 HB2 TRP X 28 40.627 -6.613 -2.849 1.00 0.00 H new ATOM 0 HB3 TRP X 28 41.218 -7.403 -4.297 1.00 0.00 H new ATOM 0 HD1 TRP X 28 43.562 -6.661 -5.183 1.00 0.00 H new ATOM 0 HE1 TRP X 28 45.300 -4.871 -4.521 1.00 0.00 H new ATOM 0 HE3 TRP X 28 40.744 -4.078 -1.801 1.00 0.00 H new ATOM 0 HZ2 TRP X 28 45.396 -2.653 -2.810 1.00 0.00 H new ATOM 0 HZ3 TRP X 28 41.724 -2.118 -0.694 1.00 0.00 H new ATOM 0 HH2 TRP X 28 44.021 -1.411 -1.199 1.00 0.00 H new ATOM 402 N LEU X 29 39.698 -3.321 -4.332 1.00 0.00 N ATOM 403 CA LEU X 29 39.295 -2.130 -3.578 1.00 0.00 C ATOM 404 C LEU X 29 37.781 -2.101 -3.348 1.00 0.00 C ATOM 405 O LEU X 29 37.310 -1.534 -2.371 1.00 0.00 O ATOM 406 CB LEU X 29 39.758 -0.853 -4.288 1.00 0.00 C ATOM 407 CG LEU X 29 39.248 0.457 -3.685 1.00 0.00 C ATOM 408 CD1 LEU X 29 39.794 0.650 -2.278 1.00 0.00 C ATOM 409 CD2 LEU X 29 39.624 1.635 -4.568 1.00 0.00 C ATOM 0 H LEU X 29 40.216 -3.129 -5.189 1.00 0.00 H new ATOM 0 HA LEU X 29 39.780 -2.177 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU X 29 40.848 -0.833 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU X 29 39.440 -0.901 -5.329 1.00 0.00 H new ATOM 0 HG LEU X 29 38.161 0.404 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU X 29 39.419 1.588 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU X 29 39.472 -0.177 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU X 29 40.883 0.678 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU X 29 39.252 2.557 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU X 29 40.709 1.688 -4.661 1.00 0.00 H new ATOM 0 HD23 LEU X 29 39.181 1.505 -5.556 1.00 0.00 H new ATOM 421 N THR X 30 37.034 -2.778 -4.206 1.00 0.00 N ATOM 422 CA THR X 30 35.594 -2.884 -4.038 1.00 0.00 C ATOM 423 C THR X 30 35.211 -4.159 -3.276 1.00 0.00 C ATOM 424 O THR X 30 34.112 -4.256 -2.737 1.00 0.00 O ATOM 425 CB THR X 30 34.921 -2.866 -5.406 1.00 0.00 C ATOM 426 OG1 THR X 30 35.444 -3.896 -6.224 1.00 0.00 O ATOM 427 CG2 THR X 30 35.107 -1.559 -6.146 1.00 0.00 C ATOM 0 H THR X 30 37.401 -3.262 -5.025 1.00 0.00 H new ATOM 0 HA THR X 30 35.252 -2.033 -3.449 1.00 0.00 H new ATOM 0 HB THR X 30 33.858 -3.007 -5.213 1.00 0.00 H new ATOM 0 HG1 THR X 30 35.003 -3.875 -7.099 1.00 0.00 H new ATOM 0 HG21 THR X 30 34.604 -1.613 -7.111 1.00 0.00 H new ATOM 0 HG22 THR X 30 34.681 -0.745 -5.560 1.00 0.00 H new ATOM 0 HG23 THR X 30 36.170 -1.377 -6.301 1.00 0.00 H new ATOM 435 N ARG X 31 36.100 -5.154 -3.281 1.00 0.00 N ATOM 436 CA ARG X 31 35.822 -6.442 -2.636 1.00 0.00 C ATOM 437 C ARG X 31 36.380 -6.489 -1.213 1.00 0.00 C ATOM 438 O ARG X 31 35.666 -6.833 -0.272 1.00 0.00 O ATOM 439 CB ARG X 31 36.437 -7.602 -3.435 1.00 0.00 C ATOM 440 CG ARG X 31 36.823 -7.261 -4.866 1.00 0.00 C ATOM 441 CD ARG X 31 37.637 -8.385 -5.498 1.00 0.00 C ATOM 442 NE ARG X 31 38.549 -9.001 -4.531 1.00 0.00 N ATOM 443 CZ ARG X 31 39.608 -9.741 -4.862 1.00 0.00 C ATOM 444 NH1 ARG X 31 39.958 -9.891 -6.132 1.00 0.00 N ATOM 445 NH2 ARG X 31 40.328 -10.314 -3.911 1.00 0.00 N ATOM 0 H ARG X 31 37.017 -5.095 -3.723 1.00 0.00 H new ATOM 0 HA ARG X 31 34.738 -6.547 -2.603 1.00 0.00 H new ATOM 0 HB2 ARG X 31 37.324 -7.956 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG X 31 35.726 -8.428 -3.453 1.00 0.00 H new ATOM 0 HG2 ARG X 31 35.924 -7.083 -5.456 1.00 0.00 H new ATOM 0 HG3 ARG X 31 37.401 -6.337 -4.880 1.00 0.00 H new ATOM 0 HD2 ARG X 31 36.963 -9.143 -5.897 1.00 0.00 H new ATOM 0 HD3 ARG X 31 38.209 -7.992 -6.339 1.00 0.00 H new ATOM 0 HE ARG X 31 38.362 -8.854 -3.539 1.00 0.00 H new ATOM 0 HH11 ARG X 31 39.415 -9.438 -6.867 1.00 0.00 H new ATOM 0 HH12 ARG X 31 40.770 -10.459 -6.374 1.00 0.00 H new ATOM 0 HH21 ARG X 31 40.072 -10.188 -2.932 1.00 0.00 H new ATOM 0 HH22 ARG X 31 41.139 -10.881 -4.157 1.00 0.00 H new ATOM 459 N LEU X 32 37.689 -6.247 -1.107 1.00 0.00 N ATOM 460 CA LEU X 32 38.445 -6.356 0.144 1.00 0.00 C ATOM 461 C LEU X 32 37.712 -5.708 1.315 1.00 0.00 C ATOM 462 O LEU X 32 37.313 -6.387 2.258 1.00 0.00 O ATOM 463 CB LEU X 32 39.824 -5.700 -0.052 1.00 0.00 C ATOM 464 CG LEU X 32 40.914 -6.040 0.975 1.00 0.00 C ATOM 465 CD1 LEU X 32 40.675 -5.333 2.296 1.00 0.00 C ATOM 466 CD2 LEU X 32 40.999 -7.539 1.193 1.00 0.00 C ATOM 0 H LEU X 32 38.263 -5.965 -1.901 1.00 0.00 H new ATOM 0 HA LEU X 32 38.560 -7.412 0.388 1.00 0.00 H new ATOM 0 HB2 LEU X 32 40.192 -5.976 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU X 32 39.687 -4.619 -0.054 1.00 0.00 H new ATOM 0 HG LEU X 32 41.863 -5.688 0.571 1.00 0.00 H new ATOM 0 HD11 LEU X 32 41.466 -5.597 2.998 1.00 0.00 H new ATOM 0 HD12 LEU X 32 40.676 -4.255 2.137 1.00 0.00 H new ATOM 0 HD13 LEU X 32 39.711 -5.639 2.703 1.00 0.00 H new ATOM 0 HD21 LEU X 32 41.778 -7.757 1.924 1.00 0.00 H new ATOM 0 HD22 LEU X 32 40.042 -7.908 1.561 1.00 0.00 H new ATOM 0 HD23 LEU X 32 41.239 -8.031 0.250 1.00 0.00 H new ATOM 478 N LEU X 33 37.606 -4.387 1.291 1.00 0.00 N ATOM 479 CA LEU X 33 36.998 -3.665 2.402 1.00 0.00 C ATOM 480 C LEU X 33 35.506 -3.956 2.517 1.00 0.00 C ATOM 481 O LEU X 33 34.935 -3.865 3.594 1.00 0.00 O ATOM 482 CB LEU X 33 37.269 -2.153 2.300 1.00 0.00 C ATOM 483 CG LEU X 33 37.268 -1.542 0.892 1.00 0.00 C ATOM 484 CD1 LEU X 33 35.863 -1.465 0.325 1.00 0.00 C ATOM 485 CD2 LEU X 33 37.897 -0.160 0.924 1.00 0.00 C ATOM 0 H LEU X 33 37.929 -3.798 0.524 1.00 0.00 H new ATOM 0 HA LEU X 33 37.467 -4.025 3.318 1.00 0.00 H new ATOM 0 HB2 LEU X 33 36.519 -1.633 2.896 1.00 0.00 H new ATOM 0 HB3 LEU X 33 38.237 -1.950 2.757 1.00 0.00 H new ATOM 0 HG LEU X 33 37.857 -2.190 0.242 1.00 0.00 H new ATOM 0 HD11 LEU X 33 35.897 -1.028 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU X 33 35.438 -2.467 0.268 1.00 0.00 H new ATOM 0 HD13 LEU X 33 35.243 -0.845 0.972 1.00 0.00 H new ATOM 0 HD21 LEU X 33 37.892 0.265 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU X 33 37.327 0.484 1.594 1.00 0.00 H new ATOM 0 HD23 LEU X 33 38.924 -0.236 1.281 1.00 0.00 H new ATOM 497 N GLN X 34 34.878 -4.326 1.417 1.00 0.00 N ATOM 498 CA GLN X 34 33.456 -4.637 1.425 1.00 0.00 C ATOM 499 C GLN X 34 33.147 -5.856 2.305 1.00 0.00 C ATOM 500 O GLN X 34 32.068 -5.949 2.889 1.00 0.00 O ATOM 501 CB GLN X 34 32.996 -4.882 -0.007 1.00 0.00 C ATOM 502 CG GLN X 34 31.486 -4.838 -0.212 1.00 0.00 C ATOM 503 CD GLN X 34 30.922 -3.431 -0.343 1.00 0.00 C ATOM 504 OE1 GLN X 34 31.753 -2.420 -0.132 1.00 0.00 O flip ATOM 505 NE2 GLN X 34 29.735 -3.260 -0.629 1.00 0.00 N flip ATOM 0 H GLN X 34 35.327 -4.419 0.506 1.00 0.00 H new ATOM 0 HA GLN X 34 32.915 -3.791 1.849 1.00 0.00 H new ATOM 0 HB2 GLN X 34 33.458 -4.136 -0.654 1.00 0.00 H new ATOM 0 HB3 GLN X 34 33.364 -5.856 -0.330 1.00 0.00 H new ATOM 0 HG2 GLN X 34 31.234 -5.405 -1.109 1.00 0.00 H new ATOM 0 HG3 GLN X 34 31.001 -5.337 0.627 1.00 0.00 H new ATOM 0 HE21 GLN X 34 29.127 -4.064 -0.784 1.00 0.00 H new ATOM 0 HE22 GLN X 34 29.361 -2.314 -0.711 1.00 0.00 H new ATOM 514 N THR X 35 34.083 -6.796 2.391 1.00 0.00 N ATOM 515 CA THR X 35 33.875 -8.001 3.190 1.00 0.00 C ATOM 516 C THR X 35 34.552 -7.895 4.564 1.00 0.00 C ATOM 517 O THR X 35 34.388 -8.773 5.411 1.00 0.00 O ATOM 518 CB THR X 35 34.383 -9.238 2.425 1.00 0.00 C ATOM 519 OG1 THR X 35 34.288 -10.408 3.220 1.00 0.00 O ATOM 520 CG2 THR X 35 35.820 -9.127 1.958 1.00 0.00 C ATOM 0 H THR X 35 34.987 -6.749 1.921 1.00 0.00 H new ATOM 0 HA THR X 35 32.804 -8.108 3.364 1.00 0.00 H new ATOM 0 HB THR X 35 33.738 -9.298 1.549 1.00 0.00 H new ATOM 0 HG1 THR X 35 34.202 -10.156 4.163 1.00 0.00 H new ATOM 0 HG21 THR X 35 36.102 -10.037 1.428 1.00 0.00 H new ATOM 0 HG22 THR X 35 35.920 -8.272 1.289 1.00 0.00 H new ATOM 0 HG23 THR X 35 36.473 -8.992 2.820 1.00 0.00 H new ATOM 528 N LYS X 36 35.384 -6.878 4.749 1.00 0.00 N ATOM 529 CA LYS X 36 36.163 -6.749 5.980 1.00 0.00 C ATOM 530 C LYS X 36 35.760 -5.523 6.799 1.00 0.00 C ATOM 531 O LYS X 36 36.628 -4.829 7.323 1.00 0.00 O ATOM 532 CB LYS X 36 37.661 -6.691 5.659 1.00 0.00 C ATOM 533 CG LYS X 36 38.187 -7.940 4.964 1.00 0.00 C ATOM 534 CD LYS X 36 39.695 -7.885 4.763 1.00 0.00 C ATOM 535 CE LYS X 36 40.448 -7.862 6.087 1.00 0.00 C ATOM 536 NZ LYS X 36 40.189 -9.080 6.905 1.00 0.00 N ATOM 0 H LYS X 36 35.538 -6.134 4.069 1.00 0.00 H new ATOM 0 HA LYS X 36 35.951 -7.631 6.584 1.00 0.00 H new ATOM 0 HB2 LYS X 36 37.855 -5.825 5.026 1.00 0.00 H new ATOM 0 HB3 LYS X 36 38.216 -6.540 6.585 1.00 0.00 H new ATOM 0 HG2 LYS X 36 37.931 -8.819 5.555 1.00 0.00 H new ATOM 0 HG3 LYS X 36 37.696 -8.052 3.997 1.00 0.00 H new ATOM 0 HD2 LYS X 36 40.014 -8.748 4.180 1.00 0.00 H new ATOM 0 HD3 LYS X 36 39.951 -6.997 4.185 1.00 0.00 H new ATOM 0 HE2 LYS X 36 41.517 -7.778 5.893 1.00 0.00 H new ATOM 0 HE3 LYS X 36 40.156 -6.978 6.653 1.00 0.00 H new ATOM 0 HZ1 LYS X 36 40.856 -9.111 7.702 1.00 0.00 H new ATOM 0 HZ2 LYS X 36 39.215 -9.053 7.270 1.00 0.00 H new ATOM 0 HZ3 LYS X 36 40.314 -9.927 6.315 1.00 0.00 H new ATOM 550 N ASN X 37 34.451 -5.244 6.864 1.00 0.00 N ATOM 551 CA ASN X 37 33.896 -4.073 7.580 1.00 0.00 C ATOM 552 C ASN X 37 34.600 -2.773 7.186 1.00 0.00 C ATOM 553 O ASN X 37 34.751 -1.855 7.994 1.00 0.00 O ATOM 554 CB ASN X 37 33.895 -4.273 9.116 1.00 0.00 C ATOM 555 CG ASN X 37 35.273 -4.299 9.773 1.00 0.00 C ATOM 556 OD1 ASN X 37 35.680 -5.462 10.254 1.00 0.00 O flip ATOM 557 ND2 ASN X 37 35.964 -3.283 9.857 1.00 0.00 N flip ATOM 0 H ASN X 37 33.738 -5.824 6.421 1.00 0.00 H new ATOM 0 HA ASN X 37 32.855 -3.985 7.268 1.00 0.00 H new ATOM 0 HB2 ASN X 37 33.310 -3.473 9.569 1.00 0.00 H new ATOM 0 HB3 ASN X 37 33.385 -5.209 9.343 1.00 0.00 H new ATOM 0 HD21 ASN X 37 35.622 -2.401 9.476 1.00 0.00 H new ATOM 0 HD22 ASN X 37 36.878 -3.324 10.307 1.00 0.00 H new ATOM 564 N TYR X 38 34.987 -2.705 5.914 1.00 0.00 N ATOM 565 CA TYR X 38 35.645 -1.542 5.333 1.00 0.00 C ATOM 566 C TYR X 38 36.996 -1.335 5.990 1.00 0.00 C ATOM 567 O TYR X 38 37.178 -0.455 6.833 1.00 0.00 O ATOM 568 CB TYR X 38 34.744 -0.307 5.415 1.00 0.00 C ATOM 569 CG TYR X 38 33.395 -0.558 4.776 1.00 0.00 C ATOM 570 CD1 TYR X 38 33.200 -0.353 3.417 1.00 0.00 C ATOM 571 CD2 TYR X 38 32.331 -1.050 5.521 1.00 0.00 C ATOM 572 CE1 TYR X 38 31.982 -0.622 2.824 1.00 0.00 C ATOM 573 CE2 TYR X 38 31.114 -1.328 4.934 1.00 0.00 C ATOM 574 CZ TYR X 38 30.945 -1.111 3.585 1.00 0.00 C ATOM 575 OH TYR X 38 29.735 -1.392 2.993 1.00 0.00 O ATOM 0 H TYR X 38 34.849 -3.468 5.251 1.00 0.00 H new ATOM 0 HA TYR X 38 35.824 -1.716 4.272 1.00 0.00 H new ATOM 0 HB2 TYR X 38 34.606 -0.025 6.459 1.00 0.00 H new ATOM 0 HB3 TYR X 38 35.231 0.533 4.920 1.00 0.00 H new ATOM 0 HD1 TYR X 38 34.013 0.023 2.814 1.00 0.00 H new ATOM 0 HD2 TYR X 38 32.459 -1.218 6.580 1.00 0.00 H new ATOM 0 HE1 TYR X 38 31.844 -0.449 1.767 1.00 0.00 H new ATOM 0 HE2 TYR X 38 30.299 -1.713 5.529 1.00 0.00 H new ATOM 0 HH TYR X 38 29.196 -1.944 3.597 1.00 0.00 H new ATOM 585 N ASP X 39 37.893 -2.269 5.687 1.00 0.00 N ATOM 586 CA ASP X 39 39.194 -2.336 6.335 1.00 0.00 C ATOM 587 C ASP X 39 40.241 -1.585 5.539 1.00 0.00 C ATOM 588 O ASP X 39 40.766 -2.099 4.555 1.00 0.00 O ATOM 589 CB ASP X 39 39.627 -3.792 6.482 1.00 0.00 C ATOM 590 CG ASP X 39 40.546 -4.006 7.655 1.00 0.00 C ATOM 591 OD1 ASP X 39 41.638 -3.416 7.672 1.00 0.00 O ATOM 592 OD2 ASP X 39 40.167 -4.756 8.572 1.00 0.00 O ATOM 0 H ASP X 39 37.737 -2.996 4.989 1.00 0.00 H new ATOM 0 HA ASP X 39 39.103 -1.873 7.318 1.00 0.00 H new ATOM 0 HB2 ASP X 39 38.744 -4.420 6.598 1.00 0.00 H new ATOM 0 HB3 ASP X 39 40.129 -4.112 5.569 1.00 0.00 H new ATOM 597 N ILE X 40 40.644 -0.440 6.050 1.00 0.00 N ATOM 598 CA ILE X 40 41.750 0.298 5.472 1.00 0.00 C ATOM 599 C ILE X 40 43.051 -0.088 6.143 1.00 0.00 C ATOM 600 O ILE X 40 44.131 0.300 5.707 1.00 0.00 O ATOM 601 CB ILE X 40 41.532 1.820 5.537 1.00 0.00 C ATOM 602 CG1 ILE X 40 41.017 2.251 6.916 1.00 0.00 C ATOM 603 CG2 ILE X 40 40.570 2.247 4.442 1.00 0.00 C ATOM 604 CD1 ILE X 40 40.263 3.567 6.900 1.00 0.00 C ATOM 0 H ILE X 40 40.221 0.001 6.867 1.00 0.00 H new ATOM 0 HA ILE X 40 41.804 0.029 4.417 1.00 0.00 H new ATOM 0 HB ILE X 40 42.491 2.314 5.380 1.00 0.00 H new ATOM 0 HG12 ILE X 40 40.364 1.473 7.310 1.00 0.00 H new ATOM 0 HG13 ILE X 40 41.862 2.334 7.600 1.00 0.00 H new ATOM 0 HG21 ILE X 40 40.418 3.325 4.491 1.00 0.00 H new ATOM 0 HG22 ILE X 40 40.985 1.983 3.469 1.00 0.00 H new ATOM 0 HG23 ILE X 40 39.615 1.739 4.578 1.00 0.00 H new ATOM 0 HD11 ILE X 40 39.929 3.807 7.909 1.00 0.00 H new ATOM 0 HD12 ILE X 40 40.919 4.358 6.537 1.00 0.00 H new ATOM 0 HD13 ILE X 40 39.398 3.483 6.242 1.00 0.00 H new ATOM 616 N GLY X 41 42.947 -0.931 7.156 1.00 0.00 N ATOM 617 CA GLY X 41 44.134 -1.437 7.797 1.00 0.00 C ATOM 618 C GLY X 41 44.813 -2.471 6.938 1.00 0.00 C ATOM 619 O GLY X 41 46.042 -2.550 6.877 1.00 0.00 O ATOM 0 H GLY X 41 42.066 -1.271 7.542 1.00 0.00 H new ATOM 0 HA2 GLY X 41 44.822 -0.616 7.996 1.00 0.00 H new ATOM 0 HA3 GLY X 41 43.873 -1.874 8.761 1.00 0.00 H new ATOM 623 N ALA X 42 43.993 -3.225 6.226 1.00 0.00 N ATOM 624 CA ALA X 42 44.480 -4.234 5.300 1.00 0.00 C ATOM 625 C ALA X 42 44.500 -3.702 3.877 1.00 0.00 C ATOM 626 O ALA X 42 45.265 -4.175 3.041 1.00 0.00 O ATOM 627 CB ALA X 42 43.628 -5.491 5.386 1.00 0.00 C ATOM 0 H ALA X 42 42.976 -3.156 6.273 1.00 0.00 H new ATOM 0 HA ALA X 42 45.502 -4.487 5.582 1.00 0.00 H new ATOM 0 HB1 ALA X 42 44.007 -6.236 4.686 1.00 0.00 H new ATOM 0 HB2 ALA X 42 43.670 -5.891 6.399 1.00 0.00 H new ATOM 0 HB3 ALA X 42 42.596 -5.249 5.134 1.00 0.00 H new ATOM 633 N ALA X 43 43.654 -2.715 3.614 1.00 0.00 N ATOM 634 CA ALA X 43 43.571 -2.108 2.287 1.00 0.00 C ATOM 635 C ALA X 43 44.868 -1.402 1.922 1.00 0.00 C ATOM 636 O ALA X 43 45.346 -1.514 0.798 1.00 0.00 O ATOM 637 CB ALA X 43 42.408 -1.131 2.204 1.00 0.00 C ATOM 0 H ALA X 43 43.014 -2.316 4.301 1.00 0.00 H new ATOM 0 HA ALA X 43 43.402 -2.913 1.572 1.00 0.00 H new ATOM 0 HB1 ALA X 43 42.370 -0.694 1.206 1.00 0.00 H new ATOM 0 HB2 ALA X 43 41.475 -1.658 2.405 1.00 0.00 H new ATOM 0 HB3 ALA X 43 42.544 -0.340 2.941 1.00 0.00 H new ATOM 643 N LEU X 44 45.438 -0.676 2.880 1.00 0.00 N ATOM 644 CA LEU X 44 46.691 0.040 2.647 1.00 0.00 C ATOM 645 C LEU X 44 47.842 -0.934 2.434 1.00 0.00 C ATOM 646 O LEU X 44 48.772 -0.651 1.676 1.00 0.00 O ATOM 647 CB LEU X 44 47.006 0.992 3.804 1.00 0.00 C ATOM 648 CG LEU X 44 46.362 2.380 3.699 1.00 0.00 C ATOM 649 CD1 LEU X 44 44.849 2.279 3.632 1.00 0.00 C ATOM 650 CD2 LEU X 44 46.778 3.249 4.874 1.00 0.00 C ATOM 0 H LEU X 44 45.056 -0.568 3.820 1.00 0.00 H new ATOM 0 HA LEU X 44 46.569 0.633 1.741 1.00 0.00 H new ATOM 0 HB2 LEU X 44 46.681 0.527 4.735 1.00 0.00 H new ATOM 0 HB3 LEU X 44 48.087 1.114 3.869 1.00 0.00 H new ATOM 0 HG LEU X 44 46.713 2.842 2.776 1.00 0.00 H new ATOM 0 HD11 LEU X 44 44.421 3.279 3.558 1.00 0.00 H new ATOM 0 HD12 LEU X 44 44.562 1.695 2.757 1.00 0.00 H new ATOM 0 HD13 LEU X 44 44.477 1.790 4.532 1.00 0.00 H new ATOM 0 HD21 LEU X 44 46.312 4.230 4.784 1.00 0.00 H new ATOM 0 HD22 LEU X 44 46.459 2.780 5.805 1.00 0.00 H new ATOM 0 HD23 LEU X 44 47.862 3.361 4.878 1.00 0.00 H new ATOM 662 N ASP X 45 47.718 -2.119 3.022 1.00 0.00 N ATOM 663 CA ASP X 45 48.689 -3.188 2.813 1.00 0.00 C ATOM 664 C ASP X 45 48.634 -3.674 1.369 1.00 0.00 C ATOM 665 O ASP X 45 49.652 -3.730 0.681 1.00 0.00 O ATOM 666 CB ASP X 45 48.408 -4.349 3.785 1.00 0.00 C ATOM 667 CG ASP X 45 49.188 -5.614 3.469 1.00 0.00 C ATOM 668 OD1 ASP X 45 48.804 -6.339 2.526 1.00 0.00 O ATOM 669 OD2 ASP X 45 50.182 -5.885 4.164 1.00 0.00 O ATOM 0 H ASP X 45 46.952 -2.364 3.649 1.00 0.00 H new ATOM 0 HA ASP X 45 49.690 -2.803 3.009 1.00 0.00 H new ATOM 0 HB2 ASP X 45 48.648 -4.028 4.799 1.00 0.00 H new ATOM 0 HB3 ASP X 45 47.342 -4.576 3.767 1.00 0.00 H new ATOM 674 N THR X 46 47.463 -4.121 0.960 1.00 0.00 N ATOM 675 CA THR X 46 47.284 -4.733 -0.345 1.00 0.00 C ATOM 676 C THR X 46 47.596 -3.792 -1.523 1.00 0.00 C ATOM 677 O THR X 46 47.851 -4.272 -2.628 1.00 0.00 O ATOM 678 CB THR X 46 45.863 -5.294 -0.453 1.00 0.00 C ATOM 679 OG1 THR X 46 44.910 -4.332 -0.045 1.00 0.00 O ATOM 680 CG2 THR X 46 45.641 -6.526 0.394 1.00 0.00 C ATOM 0 H THR X 46 46.611 -4.071 1.519 1.00 0.00 H new ATOM 0 HA THR X 46 48.013 -5.540 -0.421 1.00 0.00 H new ATOM 0 HB THR X 46 45.741 -5.558 -1.503 1.00 0.00 H new ATOM 0 HG1 THR X 46 44.349 -4.082 -0.809 1.00 0.00 H new ATOM 0 HG21 THR X 46 44.615 -6.872 0.271 1.00 0.00 H new ATOM 0 HG22 THR X 46 46.329 -7.312 0.081 1.00 0.00 H new ATOM 0 HG23 THR X 46 45.819 -6.284 1.442 1.00 0.00 H new ATOM 688 N ILE X 47 47.591 -2.467 -1.321 1.00 0.00 N ATOM 689 CA ILE X 47 47.900 -1.567 -2.438 1.00 0.00 C ATOM 690 C ILE X 47 49.385 -1.262 -2.550 1.00 0.00 C ATOM 691 O ILE X 47 49.868 -1.007 -3.648 1.00 0.00 O ATOM 692 CB ILE X 47 47.181 -0.200 -2.331 1.00 0.00 C ATOM 693 CG1 ILE X 47 47.051 0.231 -0.871 1.00 0.00 C ATOM 694 CG2 ILE X 47 45.829 -0.215 -3.026 1.00 0.00 C ATOM 695 CD1 ILE X 47 46.413 1.586 -0.693 1.00 0.00 C ATOM 0 H ILE X 47 47.385 -2.010 -0.433 1.00 0.00 H new ATOM 0 HA ILE X 47 47.550 -2.112 -3.315 1.00 0.00 H new ATOM 0 HB ILE X 47 47.796 0.536 -2.849 1.00 0.00 H new ATOM 0 HG12 ILE X 47 46.462 -0.512 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE X 47 48.041 0.243 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE X 47 45.358 0.763 -2.927 1.00 0.00 H new ATOM 0 HG22 ILE X 47 45.965 -0.447 -4.082 1.00 0.00 H new ATOM 0 HG23 ILE X 47 45.193 -0.972 -2.568 1.00 0.00 H new ATOM 0 HD11 ILE X 47 46.355 1.824 0.369 1.00 0.00 H new ATOM 0 HD12 ILE X 47 47.013 2.340 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE X 47 45.409 1.574 -1.118 1.00 0.00 H new ATOM 707 N GLN X 48 50.103 -1.265 -1.429 1.00 0.00 N ATOM 708 CA GLN X 48 51.534 -0.938 -1.432 1.00 0.00 C ATOM 709 C GLN X 48 52.215 -1.396 -0.149 1.00 0.00 C ATOM 710 O GLN X 48 53.364 -1.838 -0.176 1.00 0.00 O ATOM 711 CB GLN X 48 51.761 0.579 -1.587 1.00 0.00 C ATOM 712 CG GLN X 48 51.566 1.111 -3.002 1.00 0.00 C ATOM 713 CD GLN X 48 50.484 2.172 -3.082 1.00 0.00 C ATOM 714 OE1 GLN X 48 49.388 1.857 -3.773 1.00 0.00 O flip ATOM 715 NE2 GLN X 48 50.630 3.254 -2.523 1.00 0.00 N flip ATOM 0 H GLN X 48 49.723 -1.489 -0.509 1.00 0.00 H new ATOM 0 HA GLN X 48 51.969 -1.464 -2.282 1.00 0.00 H new ATOM 0 HB2 GLN X 48 51.079 1.105 -0.919 1.00 0.00 H new ATOM 0 HB3 GLN X 48 52.774 0.816 -1.261 1.00 0.00 H new ATOM 0 HG2 GLN X 48 52.506 1.528 -3.362 1.00 0.00 H new ATOM 0 HG3 GLN X 48 51.309 0.285 -3.665 1.00 0.00 H new ATOM 0 HE21 GLN X 48 51.487 3.449 -2.006 1.00 0.00 H new ATOM 0 HE22 GLN X 48 49.894 3.959 -2.576 1.00 0.00 H new ATOM 724 N TYR X 49 51.558 -1.153 0.982 1.00 0.00 N ATOM 725 CA TYR X 49 52.153 -1.393 2.298 1.00 0.00 C ATOM 726 C TYR X 49 52.143 -2.869 2.688 1.00 0.00 C ATOM 727 O TYR X 49 52.069 -3.199 3.869 1.00 0.00 O ATOM 728 CB TYR X 49 51.419 -0.563 3.357 1.00 0.00 C ATOM 729 CG TYR X 49 51.680 0.921 3.248 1.00 0.00 C ATOM 730 CD1 TYR X 49 52.964 1.428 3.391 1.00 0.00 C ATOM 731 CD2 TYR X 49 50.646 1.812 3.001 1.00 0.00 C ATOM 732 CE1 TYR X 49 53.207 2.782 3.294 1.00 0.00 C ATOM 733 CE2 TYR X 49 50.883 3.167 2.901 1.00 0.00 C ATOM 734 CZ TYR X 49 52.165 3.646 3.048 1.00 0.00 C ATOM 735 OH TYR X 49 52.405 4.994 2.951 1.00 0.00 O ATOM 0 H TYR X 49 50.606 -0.787 1.015 1.00 0.00 H new ATOM 0 HA TYR X 49 53.198 -1.087 2.242 1.00 0.00 H new ATOM 0 HB2 TYR X 49 50.347 -0.743 3.269 1.00 0.00 H new ATOM 0 HB3 TYR X 49 51.720 -0.905 4.347 1.00 0.00 H new ATOM 0 HD1 TYR X 49 53.785 0.752 3.581 1.00 0.00 H new ATOM 0 HD2 TYR X 49 49.639 1.439 2.885 1.00 0.00 H new ATOM 0 HE1 TYR X 49 54.211 3.163 3.411 1.00 0.00 H new ATOM 0 HE2 TYR X 49 50.067 3.848 2.708 1.00 0.00 H new ATOM 0 HH TYR X 49 51.564 5.464 2.774 1.00 0.00 H new ATOM 745 N SER X 50 52.309 -3.747 1.711 1.00 0.00 N ATOM 746 CA SER X 50 52.413 -5.172 1.981 1.00 0.00 C ATOM 747 C SER X 50 53.882 -5.576 2.000 1.00 0.00 C ATOM 748 O SER X 50 54.261 -6.628 1.485 1.00 0.00 O ATOM 749 CB SER X 50 51.659 -5.972 0.917 1.00 0.00 C ATOM 750 OG SER X 50 51.161 -7.191 1.449 1.00 0.00 O ATOM 0 H SER X 50 52.375 -3.498 0.724 1.00 0.00 H new ATOM 0 HA SER X 50 51.966 -5.387 2.952 1.00 0.00 H new ATOM 0 HB2 SER X 50 50.832 -5.377 0.528 1.00 0.00 H new ATOM 0 HB3 SER X 50 52.322 -6.182 0.078 1.00 0.00 H new ATOM 0 HG SER X 50 50.249 -7.055 1.780 1.00 0.00 H new ATOM 756 N LYS X 51 54.716 -4.686 2.519 1.00 0.00 N ATOM 757 CA LYS X 51 56.152 -4.884 2.522 1.00 0.00 C ATOM 758 C LYS X 51 56.782 -4.093 3.653 1.00 0.00 C ATOM 759 O LYS X 51 56.353 -2.979 3.951 1.00 0.00 O ATOM 760 CB LYS X 51 56.744 -4.452 1.176 1.00 0.00 C ATOM 761 CG LYS X 51 56.361 -3.035 0.769 1.00 0.00 C ATOM 762 CD LYS X 51 56.782 -2.713 -0.658 1.00 0.00 C ATOM 763 CE LYS X 51 58.287 -2.810 -0.843 1.00 0.00 C ATOM 764 NZ LYS X 51 58.706 -2.386 -2.204 1.00 0.00 N ATOM 0 H LYS X 51 54.414 -3.811 2.947 1.00 0.00 H new ATOM 0 HA LYS X 51 56.365 -5.942 2.674 1.00 0.00 H new ATOM 0 HB2 LYS X 51 57.830 -4.526 1.226 1.00 0.00 H new ATOM 0 HB3 LYS X 51 56.412 -5.145 0.403 1.00 0.00 H new ATOM 0 HG2 LYS X 51 55.282 -2.910 0.865 1.00 0.00 H new ATOM 0 HG3 LYS X 51 56.826 -2.324 1.452 1.00 0.00 H new ATOM 0 HD2 LYS X 51 56.287 -3.399 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS X 51 56.449 -1.708 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS X 51 58.785 -2.188 -0.099 1.00 0.00 H new ATOM 0 HE3 LYS X 51 58.609 -3.836 -0.667 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 59.739 -2.467 -2.290 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 58.251 -2.996 -2.913 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 58.422 -1.398 -2.363 1.00 0.00 H new ATOM 778 N HIS X 52 57.785 -4.672 4.287 1.00 0.00 N ATOM 779 CA HIS X 52 58.453 -4.009 5.394 1.00 0.00 C ATOM 780 C HIS X 52 59.941 -3.871 5.114 1.00 0.00 C ATOM 781 O HIS X 52 60.373 -4.260 4.014 1.00 0.00 O ATOM 782 CB HIS X 52 58.230 -4.778 6.696 1.00 0.00 C ATOM 783 CG HIS X 52 56.808 -4.760 7.168 1.00 0.00 C ATOM 784 ND1 HIS X 52 56.118 -3.609 7.476 1.00 0.00 N ATOM 785 CD2 HIS X 52 55.945 -5.783 7.386 1.00 0.00 C ATOM 786 CE1 HIS X 52 54.885 -3.957 7.864 1.00 0.00 C ATOM 787 NE2 HIS X 52 54.727 -5.266 7.826 1.00 0.00 N ATOM 788 OXT HIS X 52 60.666 -3.374 5.993 1.00 0.00 O ATOM 0 H HIS X 52 58.154 -5.595 4.057 1.00 0.00 H new ATOM 0 HA HIS X 52 58.025 -3.012 5.502 1.00 0.00 H new ATOM 0 HB2 HIS X 52 58.544 -5.812 6.556 1.00 0.00 H new ATOM 0 HB3 HIS X 52 58.867 -4.354 7.472 1.00 0.00 H new ATOM 0 HD2 HIS X 52 56.166 -6.830 7.242 1.00 0.00 H new ATOM 0 HE1 HIS X 52 54.120 -3.258 8.168 1.00 0.00 H new ATOM 0 HE2 HIS X 52 53.887 -5.792 8.068 1.00 0.00 H new TER 796 HIS X 52