USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 789 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: A 78 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.236) USER MOD Set 1.2: A 86 THR OG1 : rot 80:sc= 0.258 USER MOD Set 2.1: A 71 ASN : amide:sc= -5.78! C(o=-6!,f=-9.3!) USER MOD Set 2.2: A 90 SER OG : rot 150:sc= -0.241 USER MOD Set 3.1: A 35 SER OG : rot 170:sc= 0 USER MOD Set 3.2: A 38 ASN :FLIP amide:sc= -3.01! F(o=-4.2,f=-3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.33 F(o=-1.1,f=-0.33) USER MOD Single : A 21 SER OG : rot -2:sc= -1.65 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 74:sc= 0.231 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.7) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 29:sc= 1.28 USER MOD Single : A 51 ASN : amide:sc= 0.696 K(o=0.7,f=-0.82) USER MOD Single : A 56 SER OG : rot -110:sc= -0.941 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.41 X(o=-2.4,f=-2.4) USER MOD Single : A 66 GLN : amide:sc= -2.54 K(o=-2.5,f=-4!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -6.08 K(o=-6.1,f=-9!) USER MOD Single : A 81 GLN : amide:sc= -4.41! C(o=-4.4!,f=-5.5!) USER MOD Single : A 84 MET CE :methyl 179:sc= -2.61 (180deg=-2.68) USER MOD Single : A 91 MET CE :methyl 177:sc= -7.66! (180deg=-8.03!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 61:sc= 0.0727 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.841 F(o=-2!,f=-0.84) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -170:sc= -3.23 (180deg=-3.96!) USER MOD Single : A 102 GLN : amide:sc= -12.1! C(o=-12!,f=-21!) USER MOD Single : B 11 THR OG1 : rot 173:sc= 1.22 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 10 -3.927 -3.994 -7.302 1.00 0.00 N ATOM 47 CA GLU A 10 -3.886 -2.828 -8.177 1.00 0.00 C ATOM 48 C GLU A 10 -2.671 -1.954 -7.882 1.00 0.00 C ATOM 49 O GLU A 10 -2.336 -1.711 -6.722 1.00 0.00 O ATOM 50 CB GLU A 10 -5.167 -2.006 -8.022 1.00 0.00 C ATOM 51 CG GLU A 10 -5.388 -1.488 -6.610 1.00 0.00 C ATOM 52 CD GLU A 10 -6.404 -0.366 -6.554 1.00 0.00 C ATOM 53 OE1 GLU A 10 -6.609 0.303 -7.587 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.997 -0.156 -5.474 1.00 0.00 O ATOM 0 HA GLU A 10 -3.807 -3.185 -9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.132 -1.161 -8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.020 -2.619 -8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.722 -2.308 -5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.440 -1.135 -6.204 1.00 0.00 H new ATOM 61 N PHE A 11 -2.022 -1.479 -8.940 1.00 0.00 N ATOM 62 CA PHE A 11 -0.850 -0.623 -8.802 1.00 0.00 C ATOM 63 C PHE A 11 -1.269 0.829 -8.598 1.00 0.00 C ATOM 64 O PHE A 11 -2.320 1.252 -9.080 1.00 0.00 O ATOM 65 CB PHE A 11 0.046 -0.744 -10.035 1.00 0.00 C ATOM 66 CG PHE A 11 0.306 -2.165 -10.451 1.00 0.00 C ATOM 67 CD1 PHE A 11 1.283 -2.916 -9.821 1.00 0.00 C ATOM 68 CD2 PHE A 11 -0.429 -2.747 -11.472 1.00 0.00 C ATOM 69 CE1 PHE A 11 1.525 -4.223 -10.200 1.00 0.00 C ATOM 70 CE2 PHE A 11 -0.192 -4.054 -11.855 1.00 0.00 C ATOM 71 CZ PHE A 11 0.787 -4.793 -11.218 1.00 0.00 C ATOM 0 H PHE A 11 -2.289 -1.673 -9.905 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.288 -0.949 -7.927 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.417 -0.210 -10.865 1.00 0.00 H new ATOM 0 HB3 PHE A 11 0.998 -0.253 -9.832 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.863 -2.476 -9.024 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.195 -2.174 -11.973 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.291 -4.798 -9.700 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.771 -4.497 -12.651 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.974 -5.814 -11.516 1.00 0.00 H new ATOM 81 N LEU A 12 -0.450 1.587 -7.876 1.00 0.00 N ATOM 82 CA LEU A 12 -0.753 2.990 -7.609 1.00 0.00 C ATOM 83 C LEU A 12 0.484 3.864 -7.775 1.00 0.00 C ATOM 84 O LEU A 12 1.412 3.809 -6.967 1.00 0.00 O ATOM 85 CB LEU A 12 -1.322 3.157 -6.195 1.00 0.00 C ATOM 86 CG LEU A 12 -2.142 1.972 -5.677 1.00 0.00 C ATOM 87 CD1 LEU A 12 -1.851 1.713 -4.204 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.631 2.211 -5.896 1.00 0.00 C ATOM 0 H LEU A 12 0.424 1.257 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.500 3.311 -8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.496 3.335 -5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.949 4.048 -6.176 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.850 1.086 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.445 0.867 -3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.792 1.489 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.107 2.598 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.196 1.357 -5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.937 3.111 -5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.827 2.336 -6.961 1.00 0.00 H new ATOM 100 N THR A 13 0.485 4.676 -8.825 1.00 0.00 N ATOM 101 CA THR A 13 1.597 5.573 -9.105 1.00 0.00 C ATOM 102 C THR A 13 1.264 6.996 -8.661 1.00 0.00 C ATOM 103 O THR A 13 0.217 7.534 -9.020 1.00 0.00 O ATOM 104 CB THR A 13 1.922 5.552 -10.597 1.00 0.00 C ATOM 105 OG1 THR A 13 2.151 4.228 -11.046 1.00 0.00 O ATOM 106 CG2 THR A 13 3.137 6.376 -10.953 1.00 0.00 C ATOM 0 H THR A 13 -0.278 4.731 -9.500 1.00 0.00 H new ATOM 0 HA THR A 13 2.468 5.231 -8.546 1.00 0.00 H new ATOM 0 HB THR A 13 1.051 5.986 -11.088 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.356 4.238 -12.004 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.313 6.319 -12.027 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.969 7.414 -10.668 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.007 5.990 -10.421 1.00 0.00 H new ATOM 114 N PHE A 14 2.148 7.598 -7.868 1.00 0.00 N ATOM 115 CA PHE A 14 1.919 8.952 -7.371 1.00 0.00 C ATOM 116 C PHE A 14 3.196 9.786 -7.352 1.00 0.00 C ATOM 117 O PHE A 14 4.293 9.283 -7.582 1.00 0.00 O ATOM 118 CB PHE A 14 1.319 8.902 -5.966 1.00 0.00 C ATOM 119 CG PHE A 14 -0.041 8.272 -5.916 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.041 8.686 -6.780 1.00 0.00 C ATOM 121 CD2 PHE A 14 -0.319 7.266 -5.007 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.295 8.106 -6.738 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.570 6.682 -4.959 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.561 7.103 -5.827 1.00 0.00 C ATOM 0 H PHE A 14 3.022 7.174 -7.558 1.00 0.00 H new ATOM 0 HA PHE A 14 1.221 9.431 -8.057 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.992 8.347 -5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.255 9.916 -5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.839 9.470 -7.494 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.451 6.934 -4.327 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.066 8.437 -7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.774 5.898 -4.245 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.540 6.649 -5.792 1.00 0.00 H new ATOM 134 N GLU A 15 3.026 11.071 -7.056 1.00 0.00 N ATOM 135 CA GLU A 15 4.137 12.013 -6.974 1.00 0.00 C ATOM 136 C GLU A 15 4.092 12.718 -5.623 1.00 0.00 C ATOM 137 O GLU A 15 3.157 13.464 -5.334 1.00 0.00 O ATOM 138 CB GLU A 15 4.065 13.032 -8.115 1.00 0.00 C ATOM 139 CG GLU A 15 3.263 12.556 -9.317 1.00 0.00 C ATOM 140 CD GLU A 15 1.824 13.032 -9.286 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.050 12.531 -8.442 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.469 13.907 -10.104 1.00 0.00 O ATOM 0 H GLU A 15 2.115 11.488 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 15 5.078 11.472 -7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.623 13.954 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.078 13.273 -8.438 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.739 12.912 -10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.280 11.467 -9.352 1.00 0.00 H new ATOM 149 N VAL A 16 5.081 12.442 -4.778 1.00 0.00 N ATOM 150 CA VAL A 16 5.119 13.015 -3.439 1.00 0.00 C ATOM 151 C VAL A 16 6.146 14.141 -3.301 1.00 0.00 C ATOM 152 O VAL A 16 7.352 13.895 -3.326 1.00 0.00 O ATOM 153 CB VAL A 16 5.446 11.930 -2.396 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.303 12.477 -0.984 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.557 10.712 -2.595 1.00 0.00 C ATOM 0 H VAL A 16 5.864 11.827 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 16 4.128 13.433 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 16 6.483 11.624 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.539 11.693 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.988 13.314 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.279 12.817 -0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.803 9.956 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.512 11.003 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.718 10.303 -3.592 1.00 0.00 H new ATOM 165 N PRO A 17 5.680 15.391 -3.116 1.00 0.00 N ATOM 166 CA PRO A 17 6.566 16.539 -2.936 1.00 0.00 C ATOM 167 C PRO A 17 7.015 16.652 -1.483 1.00 0.00 C ATOM 168 O PRO A 17 6.188 16.645 -0.572 1.00 0.00 O ATOM 169 CB PRO A 17 5.672 17.715 -3.318 1.00 0.00 C ATOM 170 CG PRO A 17 4.300 17.289 -2.915 1.00 0.00 C ATOM 171 CD PRO A 17 4.259 15.784 -3.040 1.00 0.00 C ATOM 0 HA PRO A 17 7.481 16.479 -3.526 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.972 18.626 -2.801 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.725 17.923 -4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.083 17.599 -1.893 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.548 17.751 -3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.764 15.326 -2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.711 15.472 -3.929 1.00 0.00 H new ATOM 179 N LEU A 18 8.322 16.741 -1.262 1.00 0.00 N ATOM 180 CA LEU A 18 8.858 16.829 0.093 1.00 0.00 C ATOM 181 C LEU A 18 9.678 18.092 0.300 1.00 0.00 C ATOM 182 O LEU A 18 10.587 18.123 1.131 1.00 0.00 O ATOM 183 CB LEU A 18 9.716 15.608 0.386 1.00 0.00 C ATOM 184 CG LEU A 18 10.823 15.382 -0.635 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.159 15.167 0.060 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.487 14.206 -1.539 1.00 0.00 C ATOM 0 H LEU A 18 9.027 16.754 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 18 8.013 16.866 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.162 15.716 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.078 14.725 0.419 1.00 0.00 H new ATOM 0 HG LEU A 18 10.904 16.274 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.936 15.007 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.404 16.046 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.095 14.294 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.290 14.061 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.374 13.305 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.556 14.408 -2.068 1.00 0.00 H new ATOM 198 N ASN A 19 9.345 19.132 -0.451 1.00 0.00 N ATOM 199 CA ASN A 19 10.037 20.422 -0.352 1.00 0.00 C ATOM 200 C ASN A 19 10.354 20.772 1.103 1.00 0.00 C ATOM 201 O ASN A 19 11.352 21.430 1.394 1.00 0.00 O ATOM 202 CB ASN A 19 9.186 21.538 -0.967 1.00 0.00 C ATOM 203 CG ASN A 19 7.701 21.212 -0.982 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.108 21.080 0.202 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 7.094 21.081 -2.044 1.00 0.00 N flip ATOM 0 H ASN A 19 8.595 19.113 -1.142 1.00 0.00 H new ATOM 0 HA ASN A 19 10.973 20.333 -0.903 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.345 22.459 -0.407 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.522 21.724 -1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.587 21.191 -2.930 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.098 20.863 -2.038 1.00 0.00 H new ATOM 212 N ASP A 20 9.495 20.317 2.007 1.00 0.00 N ATOM 213 CA ASP A 20 9.671 20.564 3.431 1.00 0.00 C ATOM 214 C ASP A 20 9.984 19.263 4.154 1.00 0.00 C ATOM 215 O ASP A 20 10.715 19.246 5.144 1.00 0.00 O ATOM 216 CB ASP A 20 8.408 21.189 4.027 1.00 0.00 C ATOM 217 CG ASP A 20 8.034 22.494 3.356 1.00 0.00 C ATOM 218 OD1 ASP A 20 8.917 23.366 3.218 1.00 0.00 O ATOM 219 OD2 ASP A 20 6.856 22.645 2.965 1.00 0.00 O ATOM 0 H ASP A 20 8.665 19.772 1.776 1.00 0.00 H new ATOM 0 HA ASP A 20 10.503 21.257 3.558 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.580 20.486 3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.560 21.363 5.092 1.00 0.00 H new ATOM 224 N SER A 21 9.427 18.175 3.639 1.00 0.00 N ATOM 225 CA SER A 21 9.638 16.859 4.214 1.00 0.00 C ATOM 226 C SER A 21 11.069 16.375 3.976 1.00 0.00 C ATOM 227 O SER A 21 11.465 15.329 4.486 1.00 0.00 O ATOM 228 CB SER A 21 8.639 15.865 3.624 1.00 0.00 C ATOM 229 OG SER A 21 9.010 14.530 3.918 1.00 0.00 O ATOM 0 H SER A 21 8.822 18.182 2.818 1.00 0.00 H new ATOM 0 HA SER A 21 9.481 16.928 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.644 16.065 4.023 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.582 16.000 2.544 1.00 0.00 H new ATOM 0 HG SER A 21 9.853 14.527 4.418 1.00 0.00 H new ATOM 235 N GLY A 22 11.843 17.140 3.199 1.00 0.00 N ATOM 236 CA GLY A 22 13.221 16.764 2.917 1.00 0.00 C ATOM 237 C GLY A 22 13.961 16.278 4.151 1.00 0.00 C ATOM 238 O GLY A 22 14.862 15.443 4.054 1.00 0.00 O ATOM 0 H GLY A 22 11.539 18.010 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.232 15.980 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.748 17.620 2.496 1.00 0.00 H new ATOM 242 N SER A 23 13.574 16.795 5.314 1.00 0.00 N ATOM 243 CA SER A 23 14.199 16.404 6.572 1.00 0.00 C ATOM 244 C SER A 23 13.562 15.128 7.114 1.00 0.00 C ATOM 245 O SER A 23 14.238 14.281 7.697 1.00 0.00 O ATOM 246 CB SER A 23 14.075 17.527 7.601 1.00 0.00 C ATOM 247 OG SER A 23 14.079 18.798 6.973 1.00 0.00 O ATOM 0 H SER A 23 12.830 17.486 5.410 1.00 0.00 H new ATOM 0 HA SER A 23 15.256 16.214 6.383 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.154 17.402 8.171 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.900 17.466 8.311 1.00 0.00 H new ATOM 0 HG SER A 23 13.997 19.499 7.653 1.00 0.00 H new ATOM 253 N ALA A 24 12.253 15.000 6.913 1.00 0.00 N ATOM 254 CA ALA A 24 11.516 13.828 7.374 1.00 0.00 C ATOM 255 C ALA A 24 11.617 12.678 6.374 1.00 0.00 C ATOM 256 O ALA A 24 11.157 11.568 6.643 1.00 0.00 O ATOM 257 CB ALA A 24 10.056 14.187 7.616 1.00 0.00 C ATOM 0 H ALA A 24 11.681 15.695 6.433 1.00 0.00 H new ATOM 0 HA ALA A 24 11.964 13.498 8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.516 13.304 7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.994 14.968 8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.611 14.546 6.688 1.00 0.00 H new ATOM 263 N GLY A 25 12.215 12.947 5.213 1.00 0.00 N ATOM 264 CA GLY A 25 12.352 11.923 4.194 1.00 0.00 C ATOM 265 C GLY A 25 11.183 11.924 3.229 1.00 0.00 C ATOM 266 O GLY A 25 11.371 11.899 2.013 1.00 0.00 O ATOM 0 H GLY A 25 12.606 13.855 4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.278 12.082 3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.429 10.945 4.670 1.00 0.00 H new ATOM 270 N LEU A 26 9.975 11.968 3.780 1.00 0.00 N ATOM 271 CA LEU A 26 8.758 11.987 2.978 1.00 0.00 C ATOM 272 C LEU A 26 7.521 12.000 3.870 1.00 0.00 C ATOM 273 O LEU A 26 6.482 12.537 3.491 1.00 0.00 O ATOM 274 CB LEU A 26 8.706 10.790 2.026 1.00 0.00 C ATOM 275 CG LEU A 26 8.106 11.093 0.651 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.801 12.287 0.011 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.194 9.871 -0.251 1.00 0.00 C ATOM 0 H LEU A 26 9.813 11.991 4.787 1.00 0.00 H new ATOM 0 HA LEU A 26 8.770 12.900 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.717 10.407 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.125 9.996 2.494 1.00 0.00 H new ATOM 0 HG LEU A 26 7.054 11.345 0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.359 12.485 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.680 13.163 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.862 12.069 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.763 10.105 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.239 9.586 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.644 9.045 0.200 1.00 0.00 H new ATOM 289 N GLY A 27 7.638 11.416 5.058 1.00 0.00 N ATOM 290 CA GLY A 27 6.520 11.395 5.981 1.00 0.00 C ATOM 291 C GLY A 27 5.836 10.046 6.063 1.00 0.00 C ATOM 292 O GLY A 27 4.608 9.974 6.092 1.00 0.00 O ATOM 0 H GLY A 27 8.484 10.958 5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.872 11.677 6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.791 12.146 5.676 1.00 0.00 H new ATOM 296 N VAL A 28 6.619 8.972 6.107 1.00 0.00 N ATOM 297 CA VAL A 28 6.049 7.631 6.195 1.00 0.00 C ATOM 298 C VAL A 28 7.036 6.629 6.780 1.00 0.00 C ATOM 299 O VAL A 28 8.251 6.829 6.735 1.00 0.00 O ATOM 300 CB VAL A 28 5.593 7.110 4.815 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.536 8.018 4.216 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.779 6.965 3.871 1.00 0.00 C ATOM 0 H VAL A 28 7.638 9.002 6.084 1.00 0.00 H new ATOM 0 HA VAL A 28 5.187 7.720 6.856 1.00 0.00 H new ATOM 0 HB VAL A 28 5.151 6.124 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.231 7.630 3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.672 8.057 4.879 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.945 9.021 4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.433 6.597 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.259 7.935 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.495 6.260 4.293 1.00 0.00 H new ATOM 312 N SER A 29 6.495 5.537 7.301 1.00 0.00 N ATOM 313 CA SER A 29 7.301 4.468 7.871 1.00 0.00 C ATOM 314 C SER A 29 7.085 3.193 7.065 1.00 0.00 C ATOM 315 O SER A 29 5.963 2.697 6.973 1.00 0.00 O ATOM 316 CB SER A 29 6.930 4.240 9.338 1.00 0.00 C ATOM 317 OG SER A 29 6.560 5.455 9.965 1.00 0.00 O ATOM 0 H SER A 29 5.490 5.368 7.340 1.00 0.00 H new ATOM 0 HA SER A 29 8.353 4.750 7.828 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.107 3.529 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.775 3.797 9.866 1.00 0.00 H new ATOM 0 HG SER A 29 5.668 5.723 9.659 1.00 0.00 H new ATOM 323 N VAL A 30 8.149 2.686 6.454 1.00 0.00 N ATOM 324 CA VAL A 30 8.048 1.488 5.628 1.00 0.00 C ATOM 325 C VAL A 30 8.652 0.264 6.305 1.00 0.00 C ATOM 326 O VAL A 30 9.601 0.368 7.084 1.00 0.00 O ATOM 327 CB VAL A 30 8.733 1.687 4.262 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.827 2.463 3.319 1.00 0.00 C ATOM 329 CG2 VAL A 30 10.070 2.390 4.428 1.00 0.00 C ATOM 0 H VAL A 30 9.087 3.083 6.514 1.00 0.00 H new ATOM 0 HA VAL A 30 6.982 1.316 5.482 1.00 0.00 H new ATOM 0 HB VAL A 30 8.920 0.706 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.327 2.594 2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.898 1.912 3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.605 3.440 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.536 2.520 3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.913 3.366 4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.721 1.789 5.063 1.00 0.00 H new ATOM 339 N LYS A 31 8.092 -0.897 5.984 1.00 0.00 N ATOM 340 CA LYS A 31 8.557 -2.164 6.532 1.00 0.00 C ATOM 341 C LYS A 31 8.348 -3.280 5.516 1.00 0.00 C ATOM 342 O LYS A 31 7.265 -3.411 4.948 1.00 0.00 O ATOM 343 CB LYS A 31 7.808 -2.491 7.825 1.00 0.00 C ATOM 344 CG LYS A 31 6.306 -2.628 7.637 1.00 0.00 C ATOM 345 CD LYS A 31 5.897 -4.078 7.427 1.00 0.00 C ATOM 346 CE LYS A 31 5.931 -4.861 8.728 1.00 0.00 C ATOM 347 NZ LYS A 31 4.711 -5.697 8.905 1.00 0.00 N ATOM 0 H LYS A 31 7.306 -0.986 5.339 1.00 0.00 H new ATOM 0 HA LYS A 31 9.621 -2.078 6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.201 -3.420 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.005 -1.708 8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.792 -2.227 8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.990 -2.033 6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.893 -4.116 7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.565 -4.544 6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.814 -5.500 8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.022 -4.170 9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.773 -6.215 9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.870 -5.086 8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.637 -6.374 8.119 1.00 0.00 H new ATOM 361 N GLY A 32 9.386 -4.073 5.279 1.00 0.00 N ATOM 362 CA GLY A 32 9.276 -5.154 4.317 1.00 0.00 C ATOM 363 C GLY A 32 9.158 -6.516 4.965 1.00 0.00 C ATOM 364 O GLY A 32 9.492 -6.689 6.137 1.00 0.00 O ATOM 0 H GLY A 32 10.296 -3.988 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.405 -4.982 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.150 -5.143 3.665 1.00 0.00 H new ATOM 368 N ASN A 33 8.681 -7.486 4.192 1.00 0.00 N ATOM 369 CA ASN A 33 8.514 -8.848 4.688 1.00 0.00 C ATOM 370 C ASN A 33 9.129 -9.856 3.726 1.00 0.00 C ATOM 371 O ASN A 33 9.527 -9.509 2.614 1.00 0.00 O ATOM 372 CB ASN A 33 7.032 -9.162 4.890 1.00 0.00 C ATOM 373 CG ASN A 33 6.359 -8.185 5.833 1.00 0.00 C ATOM 374 OD1 ASN A 33 7.017 -7.524 6.636 1.00 0.00 O ATOM 375 ND2 ASN A 33 5.037 -8.088 5.741 1.00 0.00 N ATOM 0 H ASN A 33 8.403 -7.355 3.219 1.00 0.00 H new ATOM 0 HA ASN A 33 9.029 -8.924 5.646 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.524 -9.141 3.926 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.928 -10.173 5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.529 -7.447 6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.530 -8.655 5.061 1.00 0.00 H new ATOM 382 N ARG A 34 9.202 -11.109 4.163 1.00 0.00 N ATOM 383 CA ARG A 34 9.766 -12.173 3.343 1.00 0.00 C ATOM 384 C ARG A 34 8.712 -13.230 3.036 1.00 0.00 C ATOM 385 O ARG A 34 7.753 -13.400 3.788 1.00 0.00 O ATOM 386 CB ARG A 34 10.960 -12.814 4.051 1.00 0.00 C ATOM 387 CG ARG A 34 12.108 -11.850 4.306 1.00 0.00 C ATOM 388 CD ARG A 34 12.661 -11.992 5.717 1.00 0.00 C ATOM 389 NE ARG A 34 12.570 -10.743 6.469 1.00 0.00 N ATOM 390 CZ ARG A 34 11.454 -10.304 7.047 1.00 0.00 C ATOM 391 NH1 ARG A 34 10.332 -11.007 6.956 1.00 0.00 N ATOM 392 NH2 ARG A 34 11.460 -9.159 7.714 1.00 0.00 N ATOM 0 H ARG A 34 8.877 -11.412 5.081 1.00 0.00 H new ATOM 0 HA ARG A 34 10.105 -11.737 2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.627 -13.229 5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.323 -13.647 3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.903 -12.033 3.584 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.765 -10.827 4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.113 -12.773 6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.702 -12.311 5.668 1.00 0.00 H new ATOM 0 HE ARG A 34 13.412 -10.173 6.556 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.322 -11.888 6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.479 -10.667 7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.320 -8.614 7.784 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.605 -8.822 8.157 1.00 0.00 H new ATOM 406 N SER A 35 8.895 -13.936 1.925 1.00 0.00 N ATOM 407 CA SER A 35 7.956 -14.979 1.514 1.00 0.00 C ATOM 408 C SER A 35 7.613 -15.907 2.678 1.00 0.00 C ATOM 409 O SER A 35 8.429 -16.129 3.571 1.00 0.00 O ATOM 410 CB SER A 35 8.537 -15.787 0.352 1.00 0.00 C ATOM 411 OG SER A 35 7.611 -15.882 -0.716 1.00 0.00 O ATOM 0 H SER A 35 9.684 -13.807 1.292 1.00 0.00 H new ATOM 0 HA SER A 35 7.037 -14.492 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.455 -15.316 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.803 -16.786 0.697 1.00 0.00 H new ATOM 0 HG SER A 35 8.057 -16.259 -1.503 1.00 0.00 H new ATOM 417 N LYS A 36 6.396 -16.442 2.660 1.00 0.00 N ATOM 418 CA LYS A 36 5.938 -17.343 3.711 1.00 0.00 C ATOM 419 C LYS A 36 6.705 -18.661 3.686 1.00 0.00 C ATOM 420 O LYS A 36 7.170 -19.141 4.720 1.00 0.00 O ATOM 421 CB LYS A 36 4.439 -17.613 3.563 1.00 0.00 C ATOM 422 CG LYS A 36 3.624 -16.367 3.249 1.00 0.00 C ATOM 423 CD LYS A 36 3.290 -16.276 1.767 1.00 0.00 C ATOM 424 CE LYS A 36 1.844 -15.860 1.546 1.00 0.00 C ATOM 425 NZ LYS A 36 1.710 -14.389 1.349 1.00 0.00 N ATOM 0 H LYS A 36 5.708 -16.266 1.927 1.00 0.00 H new ATOM 0 HA LYS A 36 6.125 -16.857 4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.287 -18.346 2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.066 -18.058 4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.702 -16.378 3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.181 -15.481 3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.954 -15.557 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.469 -17.241 1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.446 -16.380 0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.243 -16.167 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.709 -14.148 1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.065 -13.892 2.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.262 -14.099 0.517 1.00 0.00 H new ATOM 439 N GLU A 37 6.824 -19.247 2.501 1.00 0.00 N ATOM 440 CA GLU A 37 7.524 -20.517 2.339 1.00 0.00 C ATOM 441 C GLU A 37 9.035 -20.337 2.457 1.00 0.00 C ATOM 442 O GLU A 37 9.696 -21.059 3.203 1.00 0.00 O ATOM 443 CB GLU A 37 7.176 -21.150 0.988 1.00 0.00 C ATOM 444 CG GLU A 37 7.464 -20.253 -0.205 1.00 0.00 C ATOM 445 CD GLU A 37 6.495 -20.476 -1.349 1.00 0.00 C ATOM 446 OE1 GLU A 37 6.767 -21.356 -2.193 1.00 0.00 O ATOM 447 OE2 GLU A 37 5.466 -19.771 -1.401 1.00 0.00 O ATOM 0 H GLU A 37 6.444 -18.863 1.636 1.00 0.00 H new ATOM 0 HA GLU A 37 7.197 -21.181 3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.738 -22.077 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.119 -21.415 0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.416 -19.210 0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.481 -20.434 -0.554 1.00 0.00 H new ATOM 454 N ASN A 38 9.578 -19.376 1.719 1.00 0.00 N ATOM 455 CA ASN A 38 11.012 -19.111 1.745 1.00 0.00 C ATOM 456 C ASN A 38 11.296 -17.676 2.178 1.00 0.00 C ATOM 457 O ASN A 38 10.388 -16.850 2.251 1.00 0.00 O ATOM 458 CB ASN A 38 11.635 -19.377 0.370 1.00 0.00 C ATOM 459 CG ASN A 38 10.699 -19.039 -0.774 1.00 0.00 C ATOM 460 OD1 ASN A 38 10.252 -17.790 -0.824 1.00 0.00 O flip ATOM 461 ND2 ASN A 38 10.382 -19.890 -1.605 1.00 0.00 N flip ATOM 0 H ASN A 38 9.048 -18.767 1.095 1.00 0.00 H new ATOM 0 HA ASN A 38 11.462 -19.786 2.473 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.549 -18.791 0.271 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.920 -20.427 0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.749 -20.839 -1.529 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.752 -19.646 -2.370 1.00 0.00 H new ATOM 468 N HIS A 39 12.560 -17.390 2.469 1.00 0.00 N ATOM 469 CA HIS A 39 12.961 -16.056 2.903 1.00 0.00 C ATOM 470 C HIS A 39 13.184 -15.131 1.707 1.00 0.00 C ATOM 471 O HIS A 39 14.267 -14.571 1.536 1.00 0.00 O ATOM 472 CB HIS A 39 14.234 -16.135 3.748 1.00 0.00 C ATOM 473 CG HIS A 39 14.062 -16.911 5.018 1.00 0.00 C ATOM 474 ND1 HIS A 39 13.077 -16.633 5.943 1.00 0.00 N ATOM 475 CD2 HIS A 39 14.754 -17.964 5.513 1.00 0.00 C ATOM 476 CE1 HIS A 39 13.173 -17.479 6.952 1.00 0.00 C ATOM 477 NE2 HIS A 39 14.181 -18.298 6.715 1.00 0.00 N ATOM 0 H HIS A 39 13.324 -18.063 2.412 1.00 0.00 H new ATOM 0 HA HIS A 39 12.154 -15.642 3.508 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.026 -16.594 3.156 1.00 0.00 H new ATOM 0 HB3 HIS A 39 14.563 -15.124 3.991 1.00 0.00 H new ATOM 0 HD2 HIS A 39 15.599 -18.451 5.049 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.535 -17.498 7.823 1.00 0.00 H new ATOM 0 HE2 HIS A 39 14.485 -19.056 7.326 1.00 0.00 H new ATOM 486 N ALA A 40 12.151 -14.970 0.888 1.00 0.00 N ATOM 487 CA ALA A 40 12.236 -14.104 -0.284 1.00 0.00 C ATOM 488 C ALA A 40 11.526 -12.780 -0.030 1.00 0.00 C ATOM 489 O ALA A 40 10.299 -12.728 0.056 1.00 0.00 O ATOM 490 CB ALA A 40 11.651 -14.801 -1.503 1.00 0.00 C ATOM 0 H ALA A 40 11.247 -15.426 1.012 1.00 0.00 H new ATOM 0 HA ALA A 40 13.287 -13.893 -0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.722 -14.142 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.206 -15.718 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.605 -15.043 -1.316 1.00 0.00 H new ATOM 496 N ASP A 41 12.308 -11.711 0.094 1.00 0.00 N ATOM 497 CA ASP A 41 11.764 -10.381 0.344 1.00 0.00 C ATOM 498 C ASP A 41 10.576 -10.076 -0.566 1.00 0.00 C ATOM 499 O ASP A 41 10.706 -10.055 -1.790 1.00 0.00 O ATOM 500 CB ASP A 41 12.852 -9.330 0.140 1.00 0.00 C ATOM 501 CG ASP A 41 14.113 -9.646 0.919 1.00 0.00 C ATOM 502 OD1 ASP A 41 14.007 -9.933 2.130 1.00 0.00 O ATOM 503 OD2 ASP A 41 15.207 -9.611 0.318 1.00 0.00 O ATOM 0 H ASP A 41 13.325 -11.741 0.025 1.00 0.00 H new ATOM 0 HA ASP A 41 11.412 -10.354 1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.091 -9.260 -0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.474 -8.355 0.446 1.00 0.00 H new ATOM 508 N LEU A 42 9.421 -9.831 0.043 1.00 0.00 N ATOM 509 CA LEU A 42 8.209 -9.516 -0.706 1.00 0.00 C ATOM 510 C LEU A 42 8.101 -8.014 -0.967 1.00 0.00 C ATOM 511 O LEU A 42 7.153 -7.553 -1.602 1.00 0.00 O ATOM 512 CB LEU A 42 6.972 -9.997 0.055 1.00 0.00 C ATOM 513 CG LEU A 42 7.123 -11.347 0.756 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.960 -11.586 1.708 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.220 -12.471 -0.266 1.00 0.00 C ATOM 0 H LEU A 42 9.298 -9.844 1.055 1.00 0.00 H new ATOM 0 HA LEU A 42 8.264 -10.032 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.709 -9.246 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.137 -10.060 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 42 8.045 -11.333 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.084 -12.552 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.937 -10.797 2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.025 -11.581 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.327 -13.425 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.316 -12.488 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.086 -12.306 -0.907 1.00 0.00 H new ATOM 527 N GLY A 43 9.074 -7.252 -0.468 1.00 0.00 N ATOM 528 CA GLY A 43 9.061 -5.815 -0.655 1.00 0.00 C ATOM 529 C GLY A 43 8.709 -5.075 0.621 1.00 0.00 C ATOM 530 O GLY A 43 8.573 -5.689 1.680 1.00 0.00 O ATOM 0 H GLY A 43 9.870 -7.608 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.040 -5.487 -1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.342 -5.558 -1.432 1.00 0.00 H new ATOM 534 N ILE A 44 8.564 -3.757 0.520 1.00 0.00 N ATOM 535 CA ILE A 44 8.227 -2.935 1.677 1.00 0.00 C ATOM 536 C ILE A 44 6.820 -2.361 1.557 1.00 0.00 C ATOM 537 O ILE A 44 6.407 -1.918 0.485 1.00 0.00 O ATOM 538 CB ILE A 44 9.232 -1.780 1.865 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.547 -1.118 0.519 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.505 -2.284 2.529 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.651 -1.808 -0.254 1.00 0.00 C ATOM 0 H ILE A 44 8.674 -3.236 -0.350 1.00 0.00 H new ATOM 0 HA ILE A 44 8.274 -3.588 2.549 1.00 0.00 H new ATOM 0 HB ILE A 44 8.781 -1.031 2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.643 -1.104 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.831 -0.080 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.203 -1.456 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.264 -2.706 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.961 -3.052 1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.819 -1.284 -1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.568 -1.799 0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.362 -2.839 -0.459 1.00 0.00 H new ATOM 553 N PHE A 45 6.089 -2.372 2.667 1.00 0.00 N ATOM 554 CA PHE A 45 4.724 -1.855 2.695 1.00 0.00 C ATOM 555 C PHE A 45 4.606 -0.704 3.687 1.00 0.00 C ATOM 556 O PHE A 45 5.203 -0.735 4.763 1.00 0.00 O ATOM 557 CB PHE A 45 3.732 -2.962 3.069 1.00 0.00 C ATOM 558 CG PHE A 45 4.185 -4.345 2.686 1.00 0.00 C ATOM 559 CD1 PHE A 45 5.094 -5.032 3.475 1.00 0.00 C ATOM 560 CD2 PHE A 45 3.701 -4.958 1.541 1.00 0.00 C ATOM 561 CE1 PHE A 45 5.512 -6.302 3.128 1.00 0.00 C ATOM 562 CE2 PHE A 45 4.117 -6.228 1.189 1.00 0.00 C ATOM 563 CZ PHE A 45 5.023 -6.901 1.984 1.00 0.00 C ATOM 0 H PHE A 45 6.420 -2.734 3.561 1.00 0.00 H new ATOM 0 HA PHE A 45 4.484 -1.489 1.697 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.559 -2.932 4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.776 -2.757 2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.480 -4.569 4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.990 -4.437 0.917 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.221 -6.826 3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.734 -6.693 0.293 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.349 -7.894 1.712 1.00 0.00 H new ATOM 573 N VAL A 46 3.826 0.307 3.318 1.00 0.00 N ATOM 574 CA VAL A 46 3.621 1.466 4.179 1.00 0.00 C ATOM 575 C VAL A 46 3.127 1.038 5.556 1.00 0.00 C ATOM 576 O VAL A 46 1.979 0.628 5.713 1.00 0.00 O ATOM 577 CB VAL A 46 2.611 2.451 3.560 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.505 3.715 4.401 1.00 0.00 C ATOM 579 CG2 VAL A 46 3.005 2.790 2.129 1.00 0.00 C ATOM 0 H VAL A 46 3.326 0.347 2.430 1.00 0.00 H new ATOM 0 HA VAL A 46 4.584 1.967 4.281 1.00 0.00 H new ATOM 0 HB VAL A 46 1.632 1.972 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.786 4.396 3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.173 3.456 5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.480 4.199 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.280 3.487 1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.994 3.247 2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.023 1.879 1.531 1.00 0.00 H new ATOM 589 N LYS A 47 4.005 1.132 6.552 1.00 0.00 N ATOM 590 CA LYS A 47 3.658 0.752 7.916 1.00 0.00 C ATOM 591 C LYS A 47 2.813 1.834 8.576 1.00 0.00 C ATOM 592 O LYS A 47 1.843 1.541 9.275 1.00 0.00 O ATOM 593 CB LYS A 47 4.926 0.504 8.740 1.00 0.00 C ATOM 594 CG LYS A 47 4.652 0.143 10.193 1.00 0.00 C ATOM 595 CD LYS A 47 4.435 -1.351 10.369 1.00 0.00 C ATOM 596 CE LYS A 47 3.663 -1.656 11.642 1.00 0.00 C ATOM 597 NZ LYS A 47 3.749 -3.095 12.014 1.00 0.00 N ATOM 0 H LYS A 47 4.961 1.468 6.438 1.00 0.00 H new ATOM 0 HA LYS A 47 3.077 -0.169 7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.498 -0.300 8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.549 1.398 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.489 0.465 10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.772 0.682 10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.892 -1.744 9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.399 -1.859 10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.053 -1.047 12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.618 -1.378 11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.209 -3.261 12.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.354 -3.676 11.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.744 -3.355 12.168 1.00 0.00 H new ATOM 611 N SER A 48 3.186 3.086 8.346 1.00 0.00 N ATOM 612 CA SER A 48 2.458 4.214 8.916 1.00 0.00 C ATOM 613 C SER A 48 2.885 5.526 8.267 1.00 0.00 C ATOM 614 O SER A 48 4.066 5.875 8.260 1.00 0.00 O ATOM 615 CB SER A 48 2.682 4.281 10.429 1.00 0.00 C ATOM 616 OG SER A 48 1.788 3.421 11.114 1.00 0.00 O ATOM 0 H SER A 48 3.986 3.347 7.770 1.00 0.00 H new ATOM 0 HA SER A 48 1.397 4.064 8.719 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.710 4.002 10.661 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.544 5.305 10.776 1.00 0.00 H new ATOM 0 HG SER A 48 1.561 2.661 10.539 1.00 0.00 H new ATOM 622 N ILE A 49 1.911 6.247 7.722 1.00 0.00 N ATOM 623 CA ILE A 49 2.176 7.520 7.065 1.00 0.00 C ATOM 624 C ILE A 49 2.065 8.684 8.044 1.00 0.00 C ATOM 625 O ILE A 49 1.034 8.873 8.689 1.00 0.00 O ATOM 626 CB ILE A 49 1.200 7.755 5.894 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.283 6.599 4.901 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.491 9.079 5.197 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.261 6.688 3.791 1.00 0.00 C ATOM 0 H ILE A 49 0.929 5.970 7.723 1.00 0.00 H new ATOM 0 HA ILE A 49 3.195 7.472 6.682 1.00 0.00 H new ATOM 0 HB ILE A 49 0.188 7.802 6.296 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.282 6.575 4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.147 5.659 5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.789 9.220 4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.384 9.897 5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.509 9.069 4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.376 5.836 3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.742 6.681 4.218 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.411 7.611 3.232 1.00 0.00 H new ATOM 641 N ILE A 50 3.133 9.466 8.135 1.00 0.00 N ATOM 642 CA ILE A 50 3.160 10.622 9.019 1.00 0.00 C ATOM 643 C ILE A 50 2.125 11.651 8.579 1.00 0.00 C ATOM 644 O ILE A 50 2.278 12.285 7.536 1.00 0.00 O ATOM 645 CB ILE A 50 4.563 11.275 9.046 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.541 10.395 9.824 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.509 12.672 9.659 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.513 9.634 8.949 1.00 0.00 C ATOM 0 H ILE A 50 3.993 9.320 7.606 1.00 0.00 H new ATOM 0 HA ILE A 50 2.921 10.276 10.024 1.00 0.00 H new ATOM 0 HB ILE A 50 4.911 11.370 8.017 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.104 11.020 10.517 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.975 9.683 10.425 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.509 13.106 9.665 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.843 13.302 9.070 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.136 12.607 10.681 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.173 9.033 9.575 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.960 8.981 8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.107 10.339 8.367 1.00 0.00 H new ATOM 660 N ASN A 51 1.074 11.811 9.378 1.00 0.00 N ATOM 661 CA ASN A 51 0.016 12.767 9.065 1.00 0.00 C ATOM 662 C ASN A 51 0.541 14.198 9.124 1.00 0.00 C ATOM 663 O ASN A 51 0.208 14.960 10.031 1.00 0.00 O ATOM 664 CB ASN A 51 -1.167 12.598 10.024 1.00 0.00 C ATOM 665 CG ASN A 51 -0.731 12.396 11.462 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.902 11.317 12.029 1.00 0.00 O ATOM 667 ND2 ASN A 51 -0.164 13.435 12.060 1.00 0.00 N ATOM 0 H ASN A 51 0.932 11.293 10.245 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.327 12.567 8.050 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.807 13.478 9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.767 11.745 9.707 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.150 13.358 13.027 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.042 14.311 11.552 1.00 0.00 H new ATOM 674 N GLY A 52 1.367 14.550 8.146 1.00 0.00 N ATOM 675 CA GLY A 52 1.935 15.882 8.092 1.00 0.00 C ATOM 676 C GLY A 52 3.076 15.976 7.098 1.00 0.00 C ATOM 677 O GLY A 52 3.340 17.046 6.549 1.00 0.00 O ATOM 0 H GLY A 52 1.654 13.933 7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.158 16.596 7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.293 16.163 9.082 1.00 0.00 H new ATOM 681 N GLY A 53 3.755 14.855 6.865 1.00 0.00 N ATOM 682 CA GLY A 53 4.862 14.844 5.933 1.00 0.00 C ATOM 683 C GLY A 53 4.422 15.007 4.490 1.00 0.00 C ATOM 684 O GLY A 53 3.281 15.375 4.215 1.00 0.00 O ATOM 0 H GLY A 53 3.556 13.957 7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.554 15.646 6.189 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.408 13.907 6.037 1.00 0.00 H new ATOM 688 N ALA A 54 5.340 14.737 3.571 1.00 0.00 N ATOM 689 CA ALA A 54 5.072 14.857 2.144 1.00 0.00 C ATOM 690 C ALA A 54 4.086 13.804 1.646 1.00 0.00 C ATOM 691 O ALA A 54 3.216 14.097 0.828 1.00 0.00 O ATOM 692 CB ALA A 54 6.375 14.753 1.369 1.00 0.00 C ATOM 0 H ALA A 54 6.287 14.430 3.792 1.00 0.00 H new ATOM 0 HA ALA A 54 4.614 15.832 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.172 14.843 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.048 15.553 1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.842 13.788 1.569 1.00 0.00 H new ATOM 698 N ALA A 55 4.239 12.580 2.130 1.00 0.00 N ATOM 699 CA ALA A 55 3.368 11.485 1.714 1.00 0.00 C ATOM 700 C ALA A 55 1.939 11.697 2.187 1.00 0.00 C ATOM 701 O ALA A 55 0.987 11.441 1.449 1.00 0.00 O ATOM 702 CB ALA A 55 3.904 10.159 2.226 1.00 0.00 C ATOM 0 H ALA A 55 4.954 12.318 2.808 1.00 0.00 H new ATOM 0 HA ALA A 55 3.357 11.465 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.244 9.352 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.903 9.991 1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.951 10.181 3.315 1.00 0.00 H new ATOM 708 N SER A 56 1.791 12.169 3.416 1.00 0.00 N ATOM 709 CA SER A 56 0.471 12.418 3.977 1.00 0.00 C ATOM 710 C SER A 56 -0.175 13.610 3.286 1.00 0.00 C ATOM 711 O SER A 56 -1.393 13.660 3.108 1.00 0.00 O ATOM 712 CB SER A 56 0.569 12.677 5.479 1.00 0.00 C ATOM 713 OG SER A 56 -0.591 13.332 5.964 1.00 0.00 O ATOM 0 H SER A 56 2.566 12.387 4.042 1.00 0.00 H new ATOM 0 HA SER A 56 -0.146 11.535 3.814 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.703 11.732 6.005 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.448 13.286 5.689 1.00 0.00 H new ATOM 0 HG SER A 56 -0.367 14.253 6.212 1.00 0.00 H new ATOM 719 N LYS A 57 0.657 14.568 2.894 1.00 0.00 N ATOM 720 CA LYS A 57 0.188 15.764 2.216 1.00 0.00 C ATOM 721 C LYS A 57 -0.215 15.457 0.780 1.00 0.00 C ATOM 722 O LYS A 57 -1.091 16.113 0.216 1.00 0.00 O ATOM 723 CB LYS A 57 1.272 16.825 2.247 1.00 0.00 C ATOM 724 CG LYS A 57 1.371 17.493 3.599 1.00 0.00 C ATOM 725 CD LYS A 57 2.473 18.521 3.619 1.00 0.00 C ATOM 726 CE LYS A 57 1.928 19.906 3.325 1.00 0.00 C ATOM 727 NZ LYS A 57 2.848 20.980 3.795 1.00 0.00 N ATOM 0 H LYS A 57 1.666 14.536 3.037 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.694 16.136 2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.231 16.371 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.066 17.577 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.421 17.969 3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.557 16.741 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.961 18.517 4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.232 18.261 2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.766 20.011 2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.958 20.023 3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.438 21.910 3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.983 20.896 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.766 20.885 3.316 1.00 0.00 H new ATOM 741 N ASP A 58 0.427 14.449 0.197 1.00 0.00 N ATOM 742 CA ASP A 58 0.131 14.043 -1.171 1.00 0.00 C ATOM 743 C ASP A 58 -1.335 13.648 -1.307 1.00 0.00 C ATOM 744 O ASP A 58 -1.935 13.804 -2.372 1.00 0.00 O ATOM 745 CB ASP A 58 1.028 12.874 -1.583 1.00 0.00 C ATOM 746 CG ASP A 58 1.657 13.082 -2.946 1.00 0.00 C ATOM 747 OD1 ASP A 58 2.029 14.232 -3.258 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.780 12.094 -3.701 1.00 0.00 O ATOM 0 H ASP A 58 1.156 13.899 0.652 1.00 0.00 H new ATOM 0 HA ASP A 58 0.327 14.889 -1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.814 12.743 -0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.442 11.955 -1.593 1.00 0.00 H new ATOM 753 N GLY A 59 -1.906 13.141 -0.221 1.00 0.00 N ATOM 754 CA GLY A 59 -3.298 12.732 -0.235 1.00 0.00 C ATOM 755 C GLY A 59 -3.549 11.512 -1.102 1.00 0.00 C ATOM 756 O GLY A 59 -4.693 11.217 -1.445 1.00 0.00 O ATOM 0 H GLY A 59 -1.429 13.006 0.670 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.618 12.518 0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.910 13.559 -0.595 1.00 0.00 H new ATOM 760 N ARG A 60 -2.483 10.799 -1.456 1.00 0.00 N ATOM 761 CA ARG A 60 -2.609 9.605 -2.285 1.00 0.00 C ATOM 762 C ARG A 60 -1.881 8.417 -1.658 1.00 0.00 C ATOM 763 O ARG A 60 -1.881 7.317 -2.211 1.00 0.00 O ATOM 764 CB ARG A 60 -2.054 9.869 -3.685 1.00 0.00 C ATOM 765 CG ARG A 60 -2.561 11.159 -4.308 1.00 0.00 C ATOM 766 CD ARG A 60 -1.523 11.777 -5.229 1.00 0.00 C ATOM 767 NE ARG A 60 -0.933 12.983 -4.654 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.380 13.957 -5.375 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.313 13.860 -6.697 1.00 0.00 N ATOM 770 NH2 ARG A 60 0.115 15.029 -4.771 1.00 0.00 N ATOM 0 H ARG A 60 -1.527 11.026 -1.183 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.669 9.361 -2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.966 9.903 -3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.317 9.034 -4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.474 10.959 -4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.819 11.868 -3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.737 11.049 -5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.985 12.020 -6.186 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.945 13.086 -3.639 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.686 13.036 -7.167 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.112 14.610 -7.243 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.072 15.107 -3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.539 15.775 -5.323 1.00 0.00 H new ATOM 784 N LEU A 61 -1.256 8.647 -0.507 1.00 0.00 N ATOM 785 CA LEU A 61 -0.521 7.597 0.185 1.00 0.00 C ATOM 786 C LEU A 61 -1.352 6.995 1.315 1.00 0.00 C ATOM 787 O LEU A 61 -1.945 7.716 2.117 1.00 0.00 O ATOM 788 CB LEU A 61 0.792 8.153 0.737 1.00 0.00 C ATOM 789 CG LEU A 61 2.016 7.895 -0.142 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.545 9.197 -0.733 1.00 0.00 C ATOM 791 CD2 LEU A 61 3.105 7.184 0.650 1.00 0.00 C ATOM 0 H LEU A 61 -1.245 9.551 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.303 6.806 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.684 9.228 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.970 7.718 1.720 1.00 0.00 H new ATOM 0 HG LEU A 61 1.712 7.248 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.416 8.987 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.769 9.662 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.829 9.874 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.968 7.009 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.403 7.803 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.725 6.230 1.015 1.00 0.00 H new ATOM 803 N ARG A 62 -1.381 5.666 1.373 1.00 0.00 N ATOM 804 CA ARG A 62 -2.129 4.959 2.409 1.00 0.00 C ATOM 805 C ARG A 62 -1.329 3.773 2.940 1.00 0.00 C ATOM 806 O ARG A 62 -0.633 3.092 2.188 1.00 0.00 O ATOM 807 CB ARG A 62 -3.472 4.480 1.865 1.00 0.00 C ATOM 808 CG ARG A 62 -3.377 3.850 0.489 1.00 0.00 C ATOM 809 CD ARG A 62 -4.104 4.678 -0.557 1.00 0.00 C ATOM 810 NE ARG A 62 -3.634 4.387 -1.910 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.194 4.886 -3.009 1.00 0.00 C ATOM 812 NH1 ARG A 62 -5.236 5.703 -2.920 1.00 0.00 N ATOM 813 NH2 ARG A 62 -3.706 4.570 -4.200 1.00 0.00 N ATOM 0 H ARG A 62 -0.895 5.057 0.715 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.308 5.653 3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.899 3.756 2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.160 5.324 1.823 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.329 3.746 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.801 2.846 0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.174 4.481 -0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.962 5.737 -0.344 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.832 3.767 -2.018 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.612 5.952 -2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.661 6.082 -3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.903 3.945 -4.273 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.134 4.951 -5.044 1.00 0.00 H new ATOM 827 N VAL A 63 -1.431 3.535 4.243 1.00 0.00 N ATOM 828 CA VAL A 63 -0.718 2.434 4.884 1.00 0.00 C ATOM 829 C VAL A 63 -1.062 1.096 4.227 1.00 0.00 C ATOM 830 O VAL A 63 -2.182 0.901 3.756 1.00 0.00 O ATOM 831 CB VAL A 63 -1.042 2.373 6.390 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.264 1.259 7.076 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.745 3.713 7.045 1.00 0.00 C ATOM 0 H VAL A 63 -2.002 4.091 4.879 1.00 0.00 H new ATOM 0 HA VAL A 63 0.349 2.619 4.759 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.104 2.154 6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.513 1.241 8.137 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.526 0.302 6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.805 1.436 6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.978 3.658 8.108 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.310 3.955 6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.354 4.488 6.580 1.00 0.00 H new ATOM 843 N ASN A 64 -0.083 0.185 4.198 1.00 0.00 N ATOM 844 CA ASN A 64 -0.250 -1.146 3.601 1.00 0.00 C ATOM 845 C ASN A 64 0.117 -1.141 2.118 1.00 0.00 C ATOM 846 O ASN A 64 0.232 -2.198 1.497 1.00 0.00 O ATOM 847 CB ASN A 64 -1.679 -1.671 3.784 1.00 0.00 C ATOM 848 CG ASN A 64 -2.195 -1.469 5.196 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.558 -1.877 6.167 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.356 -0.836 5.316 1.00 0.00 N ATOM 0 H ASN A 64 0.846 0.348 4.587 1.00 0.00 H new ATOM 0 HA ASN A 64 0.432 -1.815 4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.342 -1.164 3.082 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.707 -2.733 3.539 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.754 -0.671 6.241 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.850 -0.515 4.484 1.00 0.00 H new ATOM 857 N ASP A 65 0.309 0.049 1.553 1.00 0.00 N ATOM 858 CA ASP A 65 0.669 0.174 0.147 1.00 0.00 C ATOM 859 C ASP A 65 2.031 -0.463 -0.121 1.00 0.00 C ATOM 860 O ASP A 65 3.068 0.078 0.266 1.00 0.00 O ATOM 861 CB ASP A 65 0.690 1.648 -0.265 1.00 0.00 C ATOM 862 CG ASP A 65 -0.669 2.143 -0.717 1.00 0.00 C ATOM 863 OD1 ASP A 65 -1.664 1.411 -0.529 1.00 0.00 O ATOM 864 OD2 ASP A 65 -0.741 3.267 -1.258 1.00 0.00 O ATOM 0 H ASP A 65 0.221 0.937 2.048 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.081 -0.350 -0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.032 2.252 0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.410 1.786 -1.071 1.00 0.00 H new ATOM 869 N GLN A 66 2.020 -1.616 -0.785 1.00 0.00 N ATOM 870 CA GLN A 66 3.252 -2.329 -1.106 1.00 0.00 C ATOM 871 C GLN A 66 4.031 -1.593 -2.191 1.00 0.00 C ATOM 872 O GLN A 66 3.575 -1.486 -3.328 1.00 0.00 O ATOM 873 CB GLN A 66 2.931 -3.753 -1.562 1.00 0.00 C ATOM 874 CG GLN A 66 4.131 -4.683 -1.558 1.00 0.00 C ATOM 875 CD GLN A 66 4.909 -4.633 -2.858 1.00 0.00 C ATOM 876 OE1 GLN A 66 4.328 -4.514 -3.937 1.00 0.00 O ATOM 877 NE2 GLN A 66 6.228 -4.725 -2.760 1.00 0.00 N ATOM 0 H GLN A 66 1.170 -2.076 -1.111 1.00 0.00 H new ATOM 0 HA GLN A 66 3.869 -2.375 -0.209 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.160 -4.167 -0.913 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.514 -3.717 -2.569 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.791 -4.415 -0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.795 -5.704 -1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.666 -4.822 -1.844 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.805 -4.698 -3.601 1.00 0.00 H new ATOM 886 N LEU A 67 5.205 -1.080 -1.834 1.00 0.00 N ATOM 887 CA LEU A 67 6.034 -0.345 -2.781 1.00 0.00 C ATOM 888 C LEU A 67 6.584 -1.258 -3.870 1.00 0.00 C ATOM 889 O LEU A 67 6.937 -2.408 -3.613 1.00 0.00 O ATOM 890 CB LEU A 67 7.188 0.345 -2.055 1.00 0.00 C ATOM 891 CG LEU A 67 6.769 1.253 -0.898 1.00 0.00 C ATOM 892 CD1 LEU A 67 7.878 1.344 0.135 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.402 2.635 -1.417 1.00 0.00 C ATOM 0 H LEU A 67 5.602 -1.160 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 67 5.403 0.407 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.865 -0.418 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.750 0.937 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 67 5.891 0.822 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.563 1.994 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.094 0.350 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.775 1.754 -0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.106 3.270 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.263 3.075 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.574 2.551 -2.121 1.00 0.00 H new ATOM 905 N ILE A 68 6.655 -0.731 -5.086 1.00 0.00 N ATOM 906 CA ILE A 68 7.163 -1.488 -6.223 1.00 0.00 C ATOM 907 C ILE A 68 8.238 -0.708 -6.975 1.00 0.00 C ATOM 908 O ILE A 68 9.191 -1.292 -7.490 1.00 0.00 O ATOM 909 CB ILE A 68 6.030 -1.856 -7.201 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.858 -2.480 -6.444 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.544 -2.806 -8.273 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.634 -2.704 -7.305 1.00 0.00 C ATOM 0 H ILE A 68 6.366 0.221 -5.310 1.00 0.00 H new ATOM 0 HA ILE A 68 7.601 -2.402 -5.822 1.00 0.00 H new ATOM 0 HB ILE A 68 5.679 -0.946 -7.688 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.175 -3.434 -6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.591 -1.834 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.733 -3.057 -8.956 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.350 -2.326 -8.828 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.918 -3.716 -7.804 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.842 -3.149 -6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.292 -1.750 -7.706 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.885 -3.374 -8.127 1.00 0.00 H new ATOM 924 N ALA A 69 8.082 0.613 -7.037 1.00 0.00 N ATOM 925 CA ALA A 69 9.047 1.461 -7.728 1.00 0.00 C ATOM 926 C ALA A 69 9.140 2.837 -7.078 1.00 0.00 C ATOM 927 O ALA A 69 8.291 3.213 -6.270 1.00 0.00 O ATOM 928 CB ALA A 69 8.673 1.592 -9.198 1.00 0.00 C ATOM 0 H ALA A 69 7.300 1.116 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 69 10.027 0.989 -7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.401 2.227 -9.703 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.669 0.606 -9.662 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.682 2.037 -9.283 1.00 0.00 H new ATOM 934 N VAL A 70 10.177 3.584 -7.441 1.00 0.00 N ATOM 935 CA VAL A 70 10.386 4.921 -6.898 1.00 0.00 C ATOM 936 C VAL A 70 11.213 5.774 -7.855 1.00 0.00 C ATOM 937 O VAL A 70 12.355 5.442 -8.168 1.00 0.00 O ATOM 938 CB VAL A 70 11.089 4.868 -5.526 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.470 4.245 -5.652 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.176 6.259 -4.913 1.00 0.00 C ATOM 0 H VAL A 70 10.887 3.286 -8.110 1.00 0.00 H new ATOM 0 HA VAL A 70 9.402 5.373 -6.771 1.00 0.00 H new ATOM 0 HB VAL A 70 10.495 4.241 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.948 4.218 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.377 3.230 -6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.077 4.840 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.675 6.200 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.743 6.913 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.172 6.661 -4.779 1.00 0.00 H new ATOM 950 N ASN A 71 10.624 6.872 -8.323 1.00 0.00 N ATOM 951 CA ASN A 71 11.307 7.769 -9.251 1.00 0.00 C ATOM 952 C ASN A 71 11.758 7.010 -10.496 1.00 0.00 C ATOM 953 O ASN A 71 12.883 7.178 -10.967 1.00 0.00 O ATOM 954 CB ASN A 71 12.514 8.420 -8.573 1.00 0.00 C ATOM 955 CG ASN A 71 12.122 9.264 -7.377 1.00 0.00 C ATOM 956 OD1 ASN A 71 11.550 10.344 -7.525 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.428 8.773 -6.182 1.00 0.00 N ATOM 0 H ASN A 71 9.678 7.161 -8.075 1.00 0.00 H new ATOM 0 HA ASN A 71 10.606 8.549 -9.550 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.210 7.644 -8.254 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.041 9.043 -9.296 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.188 9.296 -5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.903 7.873 -6.107 1.00 0.00 H new ATOM 964 N GLY A 72 10.874 6.166 -11.015 1.00 0.00 N ATOM 965 CA GLY A 72 11.199 5.384 -12.191 1.00 0.00 C ATOM 966 C GLY A 72 12.215 4.299 -11.888 1.00 0.00 C ATOM 967 O GLY A 72 12.925 3.838 -12.780 1.00 0.00 O ATOM 0 H GLY A 72 9.938 6.010 -10.642 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.291 4.930 -12.587 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.591 6.042 -12.967 1.00 0.00 H new ATOM 971 N GLU A 73 12.285 3.898 -10.621 1.00 0.00 N ATOM 972 CA GLU A 73 13.223 2.867 -10.195 1.00 0.00 C ATOM 973 C GLU A 73 12.489 1.703 -9.538 1.00 0.00 C ATOM 974 O GLU A 73 12.156 1.756 -8.354 1.00 0.00 O ATOM 975 CB GLU A 73 14.248 3.451 -9.218 1.00 0.00 C ATOM 976 CG GLU A 73 14.661 4.882 -9.534 1.00 0.00 C ATOM 977 CD GLU A 73 15.836 4.951 -10.489 1.00 0.00 C ATOM 978 OE1 GLU A 73 16.969 4.650 -10.057 1.00 0.00 O ATOM 979 OE2 GLU A 73 15.624 5.305 -11.667 1.00 0.00 O ATOM 0 H GLU A 73 11.702 4.273 -9.872 1.00 0.00 H new ATOM 0 HA GLU A 73 13.742 2.497 -11.079 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.834 3.418 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.136 2.819 -9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.814 5.414 -9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.920 5.395 -8.608 1.00 0.00 H new ATOM 986 N SER A 74 12.236 0.654 -10.314 1.00 0.00 N ATOM 987 CA SER A 74 11.539 -0.522 -9.807 1.00 0.00 C ATOM 988 C SER A 74 12.415 -1.293 -8.823 1.00 0.00 C ATOM 989 O SER A 74 13.494 -1.767 -9.176 1.00 0.00 O ATOM 990 CB SER A 74 11.124 -1.431 -10.965 1.00 0.00 C ATOM 991 OG SER A 74 9.765 -1.227 -11.312 1.00 0.00 O ATOM 0 H SER A 74 12.503 0.595 -11.297 1.00 0.00 H new ATOM 0 HA SER A 74 10.646 -0.187 -9.280 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.757 -1.235 -11.830 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.279 -2.473 -10.687 1.00 0.00 H new ATOM 0 HG SER A 74 9.525 -1.818 -12.056 1.00 0.00 H new ATOM 997 N LEU A 75 11.940 -1.416 -7.588 1.00 0.00 N ATOM 998 CA LEU A 75 12.679 -2.133 -6.553 1.00 0.00 C ATOM 999 C LEU A 75 12.653 -3.639 -6.800 1.00 0.00 C ATOM 1000 O LEU A 75 13.442 -4.384 -6.216 1.00 0.00 O ATOM 1001 CB LEU A 75 12.097 -1.825 -5.172 1.00 0.00 C ATOM 1002 CG LEU A 75 11.894 -0.339 -4.867 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.851 -0.159 -3.775 1.00 0.00 C ATOM 1004 CD2 LEU A 75 13.213 0.306 -4.462 1.00 0.00 C ATOM 0 H LEU A 75 11.048 -1.029 -7.279 1.00 0.00 H new ATOM 0 HA LEU A 75 13.715 -1.796 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.137 -2.333 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.757 -2.248 -4.415 1.00 0.00 H new ATOM 0 HG LEU A 75 11.534 0.155 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.718 0.903 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.903 -0.586 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.183 -0.665 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.051 1.363 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.602 -0.189 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.932 0.206 -5.275 1.00 0.00 H new ATOM 1016 N LEU A 76 11.745 -4.087 -7.665 1.00 0.00 N ATOM 1017 CA LEU A 76 11.621 -5.507 -7.982 1.00 0.00 C ATOM 1018 C LEU A 76 12.968 -6.096 -8.391 1.00 0.00 C ATOM 1019 O LEU A 76 13.351 -6.046 -9.560 1.00 0.00 O ATOM 1020 CB LEU A 76 10.598 -5.713 -9.102 1.00 0.00 C ATOM 1021 CG LEU A 76 9.170 -5.290 -8.759 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.372 -5.028 -10.027 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.490 -6.352 -7.909 1.00 0.00 C ATOM 0 H LEU A 76 11.085 -3.486 -8.159 1.00 0.00 H new ATOM 0 HA LEU A 76 11.278 -6.024 -7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.925 -5.155 -9.979 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.592 -6.767 -9.379 1.00 0.00 H new ATOM 0 HG LEU A 76 9.213 -4.365 -8.184 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.358 -4.728 -9.763 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.849 -4.232 -10.599 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.337 -5.936 -10.629 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.474 -6.034 -7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.458 -7.293 -8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.050 -6.491 -6.984 1.00 0.00 H new ATOM 1035 N GLY A 77 13.681 -6.653 -7.419 1.00 0.00 N ATOM 1036 CA GLY A 77 14.979 -7.242 -7.690 1.00 0.00 C ATOM 1037 C GLY A 77 15.900 -7.191 -6.486 1.00 0.00 C ATOM 1038 O GLY A 77 16.826 -7.994 -6.369 1.00 0.00 O ATOM 0 H GLY A 77 13.382 -6.707 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.847 -8.279 -7.999 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.446 -6.718 -8.524 1.00 0.00 H new ATOM 1042 N LYS A 78 15.645 -6.244 -5.588 1.00 0.00 N ATOM 1043 CA LYS A 78 16.458 -6.092 -4.385 1.00 0.00 C ATOM 1044 C LYS A 78 15.664 -6.451 -3.140 1.00 0.00 C ATOM 1045 O LYS A 78 14.443 -6.604 -3.185 1.00 0.00 O ATOM 1046 CB LYS A 78 16.984 -4.659 -4.274 1.00 0.00 C ATOM 1047 CG LYS A 78 15.889 -3.607 -4.238 1.00 0.00 C ATOM 1048 CD LYS A 78 16.467 -2.200 -4.219 1.00 0.00 C ATOM 1049 CE LYS A 78 17.350 -1.940 -5.429 1.00 0.00 C ATOM 1050 NZ LYS A 78 18.779 -1.767 -5.047 1.00 0.00 N ATOM 0 H LYS A 78 14.883 -5.571 -5.670 1.00 0.00 H new ATOM 0 HA LYS A 78 17.303 -6.776 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.588 -4.572 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.642 -4.457 -5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.242 -3.724 -5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.267 -3.758 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.655 -1.473 -4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.047 -2.057 -3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.259 -2.770 -6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.002 -1.046 -5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.302 -1.347 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.844 -1.140 -4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.190 -2.693 -4.813 1.00 0.00 H new ATOM 1064 N ALA A 79 16.377 -6.589 -2.035 1.00 0.00 N ATOM 1065 CA ALA A 79 15.768 -6.941 -0.764 1.00 0.00 C ATOM 1066 C ALA A 79 15.005 -5.761 -0.170 1.00 0.00 C ATOM 1067 O ALA A 79 15.170 -4.622 -0.603 1.00 0.00 O ATOM 1068 CB ALA A 79 16.844 -7.420 0.192 1.00 0.00 C ATOM 0 H ALA A 79 17.388 -6.461 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 79 15.048 -7.743 -0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.390 -7.685 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.341 -8.294 -0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.574 -6.626 0.345 1.00 0.00 H new ATOM 1074 N ASN A 80 14.162 -6.043 0.822 1.00 0.00 N ATOM 1075 CA ASN A 80 13.369 -5.001 1.470 1.00 0.00 C ATOM 1076 C ASN A 80 14.249 -3.848 1.939 1.00 0.00 C ATOM 1077 O ASN A 80 14.041 -2.700 1.558 1.00 0.00 O ATOM 1078 CB ASN A 80 12.608 -5.571 2.667 1.00 0.00 C ATOM 1079 CG ASN A 80 11.866 -6.846 2.332 1.00 0.00 C ATOM 1080 OD1 ASN A 80 10.791 -6.814 1.733 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.438 -7.978 2.720 1.00 0.00 N ATOM 0 H ASN A 80 14.011 -6.981 1.193 1.00 0.00 H new ATOM 0 HA ASN A 80 12.660 -4.625 0.732 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.309 -5.766 3.479 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.899 -4.827 3.030 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.986 -8.871 2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.330 -7.955 3.214 1.00 0.00 H new ATOM 1088 N GLN A 81 15.229 -4.168 2.778 1.00 0.00 N ATOM 1089 CA GLN A 81 16.137 -3.157 3.309 1.00 0.00 C ATOM 1090 C GLN A 81 16.784 -2.346 2.189 1.00 0.00 C ATOM 1091 O GLN A 81 16.961 -1.134 2.306 1.00 0.00 O ATOM 1092 CB GLN A 81 17.219 -3.807 4.173 1.00 0.00 C ATOM 1093 CG GLN A 81 17.839 -5.043 3.551 1.00 0.00 C ATOM 1094 CD GLN A 81 18.911 -4.711 2.534 1.00 0.00 C ATOM 1095 OE1 GLN A 81 19.457 -3.608 2.526 1.00 0.00 O ATOM 1096 NE2 GLN A 81 19.218 -5.667 1.666 1.00 0.00 N ATOM 0 H GLN A 81 15.415 -5.116 3.104 1.00 0.00 H new ATOM 0 HA GLN A 81 15.548 -2.478 3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 81 18.004 -3.076 4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.788 -4.074 5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.270 -5.663 4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 81 17.059 -5.633 3.071 1.00 0.00 H new ATOM 0 HE21 GLN A 81 18.740 -6.567 1.709 1.00 0.00 H new ATOM 0 HE22 GLN A 81 19.932 -5.502 0.956 1.00 0.00 H new ATOM 1105 N GLU A 82 17.127 -3.025 1.099 1.00 0.00 N ATOM 1106 CA GLU A 82 17.745 -2.372 -0.044 1.00 0.00 C ATOM 1107 C GLU A 82 16.733 -1.496 -0.760 1.00 0.00 C ATOM 1108 O GLU A 82 17.054 -0.401 -1.221 1.00 0.00 O ATOM 1109 CB GLU A 82 18.321 -3.413 -1.007 1.00 0.00 C ATOM 1110 CG GLU A 82 19.841 -3.424 -1.053 1.00 0.00 C ATOM 1111 CD GLU A 82 20.384 -3.201 -2.450 1.00 0.00 C ATOM 1112 OE1 GLU A 82 20.466 -4.182 -3.220 1.00 0.00 O ATOM 1113 OE2 GLU A 82 20.728 -2.044 -2.776 1.00 0.00 O ATOM 0 H GLU A 82 16.986 -4.029 0.986 1.00 0.00 H new ATOM 0 HA GLU A 82 18.560 -1.743 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.967 -4.402 -0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.937 -3.221 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.226 -2.650 -0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.205 -4.379 -0.674 1.00 0.00 H new ATOM 1120 N ALA A 83 15.504 -1.990 -0.850 1.00 0.00 N ATOM 1121 CA ALA A 83 14.442 -1.256 -1.510 1.00 0.00 C ATOM 1122 C ALA A 83 14.093 0.005 -0.731 1.00 0.00 C ATOM 1123 O ALA A 83 14.003 1.094 -1.301 1.00 0.00 O ATOM 1124 CB ALA A 83 13.217 -2.138 -1.690 1.00 0.00 C ATOM 0 H ALA A 83 15.223 -2.895 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 83 14.794 -0.955 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.430 -1.571 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.479 -3.004 -2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.863 -2.472 -0.715 1.00 0.00 H new ATOM 1130 N MET A 84 13.914 -0.144 0.577 1.00 0.00 N ATOM 1131 CA MET A 84 13.596 0.990 1.434 1.00 0.00 C ATOM 1132 C MET A 84 14.743 1.990 1.420 1.00 0.00 C ATOM 1133 O MET A 84 14.536 3.193 1.563 1.00 0.00 O ATOM 1134 CB MET A 84 13.314 0.530 2.861 1.00 0.00 C ATOM 1135 CG MET A 84 14.481 -0.188 3.516 1.00 0.00 C ATOM 1136 SD MET A 84 14.129 -0.684 5.215 1.00 0.00 S ATOM 1137 CE MET A 84 12.379 -1.056 5.111 1.00 0.00 C ATOM 0 H MET A 84 13.984 -1.037 1.065 1.00 0.00 H new ATOM 0 HA MET A 84 12.698 1.473 1.049 1.00 0.00 H new ATOM 0 HB2 MET A 84 13.047 1.397 3.466 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.449 -0.133 2.855 1.00 0.00 H new ATOM 0 HG2 MET A 84 14.735 -1.071 2.929 1.00 0.00 H new ATOM 0 HG3 MET A 84 15.355 0.463 3.506 1.00 0.00 H new ATOM 0 HE1 MET A 84 12.021 -1.394 6.083 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.834 -0.160 4.815 1.00 0.00 H new ATOM 0 HE3 MET A 84 12.217 -1.840 4.372 1.00 0.00 H new ATOM 1147 N GLU A 85 15.955 1.479 1.221 1.00 0.00 N ATOM 1148 CA GLU A 85 17.139 2.322 1.156 1.00 0.00 C ATOM 1149 C GLU A 85 17.218 2.978 -0.217 1.00 0.00 C ATOM 1150 O GLU A 85 17.696 4.105 -0.356 1.00 0.00 O ATOM 1151 CB GLU A 85 18.399 1.490 1.426 1.00 0.00 C ATOM 1152 CG GLU A 85 19.699 2.198 1.076 1.00 0.00 C ATOM 1153 CD GLU A 85 20.601 2.392 2.279 1.00 0.00 C ATOM 1154 OE1 GLU A 85 20.426 3.401 2.996 1.00 0.00 O ATOM 1155 OE2 GLU A 85 21.482 1.536 2.506 1.00 0.00 O ATOM 0 H GLU A 85 16.140 0.483 1.102 1.00 0.00 H new ATOM 0 HA GLU A 85 17.072 3.097 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.420 1.215 2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.338 0.563 0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 85 20.230 1.621 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.472 3.169 0.637 1.00 0.00 H new ATOM 1162 N THR A 86 16.735 2.260 -1.225 1.00 0.00 N ATOM 1163 CA THR A 86 16.733 2.757 -2.592 1.00 0.00 C ATOM 1164 C THR A 86 15.744 3.909 -2.736 1.00 0.00 C ATOM 1165 O THR A 86 16.004 4.873 -3.451 1.00 0.00 O ATOM 1166 CB THR A 86 16.391 1.616 -3.562 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.547 0.857 -3.864 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.795 2.078 -4.875 1.00 0.00 C ATOM 0 H THR A 86 16.338 1.327 -1.118 1.00 0.00 H new ATOM 0 HA THR A 86 17.727 3.133 -2.836 1.00 0.00 H new ATOM 0 HB THR A 86 15.641 1.022 -3.040 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.726 0.229 -3.133 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.582 1.213 -5.503 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.871 2.623 -4.683 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.502 2.731 -5.386 1.00 0.00 H new ATOM 1176 N LEU A 87 14.618 3.815 -2.034 1.00 0.00 N ATOM 1177 CA LEU A 87 13.617 4.873 -2.077 1.00 0.00 C ATOM 1178 C LEU A 87 14.064 6.020 -1.186 1.00 0.00 C ATOM 1179 O LEU A 87 13.817 7.190 -1.479 1.00 0.00 O ATOM 1180 CB LEU A 87 12.236 4.354 -1.658 1.00 0.00 C ATOM 1181 CG LEU A 87 12.148 3.749 -0.258 1.00 0.00 C ATOM 1182 CD1 LEU A 87 11.848 4.826 0.774 1.00 0.00 C ATOM 1183 CD2 LEU A 87 11.078 2.668 -0.223 1.00 0.00 C ATOM 0 H LEU A 87 14.379 3.025 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 87 13.524 5.230 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.525 5.177 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.918 3.601 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 87 13.110 3.300 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.789 4.375 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.642 5.573 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.897 5.303 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.023 2.243 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.114 3.102 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.330 1.883 -0.937 1.00 0.00 H new ATOM 1195 N ARG A 88 14.741 5.661 -0.102 1.00 0.00 N ATOM 1196 CA ARG A 88 15.257 6.633 0.850 1.00 0.00 C ATOM 1197 C ARG A 88 16.202 7.608 0.157 1.00 0.00 C ATOM 1198 O ARG A 88 16.052 8.826 0.270 1.00 0.00 O ATOM 1199 CB ARG A 88 15.992 5.902 1.972 1.00 0.00 C ATOM 1200 CG ARG A 88 15.459 6.220 3.357 1.00 0.00 C ATOM 1201 CD ARG A 88 16.424 5.770 4.441 1.00 0.00 C ATOM 1202 NE ARG A 88 16.155 6.422 5.720 1.00 0.00 N ATOM 1203 CZ ARG A 88 16.582 5.957 6.892 1.00 0.00 C ATOM 1204 NH1 ARG A 88 17.297 4.839 6.952 1.00 0.00 N ATOM 1205 NH2 ARG A 88 16.296 6.613 8.009 1.00 0.00 N ATOM 0 H ARG A 88 14.946 4.692 0.140 1.00 0.00 H new ATOM 0 HA ARG A 88 14.424 7.199 1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.920 4.828 1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.050 6.161 1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.286 7.293 3.444 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.496 5.730 3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.353 4.689 4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.446 5.989 4.130 1.00 0.00 H new ATOM 0 HE ARG A 88 15.608 7.283 5.715 1.00 0.00 H new ATOM 0 HH11 ARG A 88 17.522 4.331 6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.621 4.489 7.853 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.749 7.473 7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 88 16.623 6.257 8.907 1.00 0.00 H new ATOM 1219 N ARG A 89 17.175 7.061 -0.562 1.00 0.00 N ATOM 1220 CA ARG A 89 18.145 7.876 -1.279 1.00 0.00 C ATOM 1221 C ARG A 89 17.488 8.533 -2.492 1.00 0.00 C ATOM 1222 O ARG A 89 17.824 9.656 -2.860 1.00 0.00 O ATOM 1223 CB ARG A 89 19.359 7.016 -1.678 1.00 0.00 C ATOM 1224 CG ARG A 89 19.679 7.010 -3.165 1.00 0.00 C ATOM 1225 CD ARG A 89 18.798 6.018 -3.898 1.00 0.00 C ATOM 1226 NE ARG A 89 18.614 6.373 -5.303 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.495 6.093 -6.260 1.00 0.00 C ATOM 1228 NH1 ARG A 89 20.627 5.463 -5.967 1.00 0.00 N ATOM 1229 NH2 ARG A 89 19.246 6.449 -7.513 1.00 0.00 N ATOM 0 H ARG A 89 17.312 6.055 -0.663 1.00 0.00 H new ATOM 0 HA ARG A 89 18.503 8.674 -0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.234 7.374 -1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.181 5.990 -1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.533 8.008 -3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.728 6.753 -3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.240 5.024 -3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.826 5.967 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 89 17.760 6.865 -5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 89 20.825 5.191 -5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 89 21.298 5.251 -6.705 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.380 6.937 -7.742 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.920 6.235 -8.248 1.00 0.00 H new ATOM 1243 N SER A 90 16.542 7.830 -3.102 1.00 0.00 N ATOM 1244 CA SER A 90 15.836 8.358 -4.261 1.00 0.00 C ATOM 1245 C SER A 90 14.912 9.493 -3.843 1.00 0.00 C ATOM 1246 O SER A 90 14.639 10.405 -4.623 1.00 0.00 O ATOM 1247 CB SER A 90 15.035 7.253 -4.954 1.00 0.00 C ATOM 1248 OG SER A 90 14.711 7.617 -6.285 1.00 0.00 O ATOM 0 H SER A 90 16.247 6.897 -2.815 1.00 0.00 H new ATOM 0 HA SER A 90 16.572 8.744 -4.966 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.612 6.328 -4.957 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.121 7.057 -4.394 1.00 0.00 H new ATOM 0 HG SER A 90 14.652 6.811 -6.839 1.00 0.00 H new ATOM 1254 N MET A 91 14.433 9.430 -2.605 1.00 0.00 N ATOM 1255 CA MET A 91 13.539 10.450 -2.079 1.00 0.00 C ATOM 1256 C MET A 91 14.314 11.595 -1.433 1.00 0.00 C ATOM 1257 O MET A 91 13.781 12.689 -1.255 1.00 0.00 O ATOM 1258 CB MET A 91 12.569 9.837 -1.067 1.00 0.00 C ATOM 1259 CG MET A 91 13.194 9.501 0.277 1.00 0.00 C ATOM 1260 SD MET A 91 11.960 9.030 1.504 1.00 0.00 S ATOM 1261 CE MET A 91 10.769 8.182 0.469 1.00 0.00 C ATOM 0 H MET A 91 14.651 8.681 -1.948 1.00 0.00 H new ATOM 0 HA MET A 91 12.973 10.857 -2.917 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.744 10.531 -0.907 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.144 8.929 -1.494 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.907 8.687 0.150 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.755 10.362 0.640 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.967 7.782 1.090 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.353 8.882 -0.255 1.00 0.00 H new ATOM 0 HE3 MET A 91 11.262 7.365 -0.058 1.00 0.00 H new ATOM 1271 N SER A 92 15.568 11.339 -1.064 1.00 0.00 N ATOM 1272 CA SER A 92 16.389 12.363 -0.420 1.00 0.00 C ATOM 1273 C SER A 92 17.715 12.577 -1.150 1.00 0.00 C ATOM 1274 O SER A 92 18.754 12.767 -0.517 1.00 0.00 O ATOM 1275 CB SER A 92 16.656 11.980 1.038 1.00 0.00 C ATOM 1276 OG SER A 92 16.467 13.088 1.899 1.00 0.00 O ATOM 0 H SER A 92 16.034 10.442 -1.198 1.00 0.00 H new ATOM 0 HA SER A 92 15.834 13.300 -0.460 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.990 11.169 1.332 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.675 11.607 1.138 1.00 0.00 H new ATOM 0 HG SER A 92 16.642 12.817 2.824 1.00 0.00 H new ATOM 1282 N THR A 93 17.680 12.552 -2.479 1.00 0.00 N ATOM 1283 CA THR A 93 18.894 12.753 -3.264 1.00 0.00 C ATOM 1284 C THR A 93 18.606 12.889 -4.765 1.00 0.00 C ATOM 1285 O THR A 93 19.418 13.445 -5.503 1.00 0.00 O ATOM 1286 CB THR A 93 19.867 11.601 -2.991 1.00 0.00 C ATOM 1287 OG1 THR A 93 21.026 12.072 -2.329 1.00 0.00 O ATOM 1288 CG2 THR A 93 20.321 10.851 -4.227 1.00 0.00 C ATOM 0 H THR A 93 16.836 12.397 -3.030 1.00 0.00 H new ATOM 0 HA THR A 93 19.346 13.695 -2.955 1.00 0.00 H new ATOM 0 HB THR A 93 19.298 10.907 -2.372 1.00 0.00 H new ATOM 0 HG1 THR A 93 20.773 12.474 -1.472 1.00 0.00 H new ATOM 0 HG21 THR A 93 21.007 10.054 -3.938 1.00 0.00 H new ATOM 0 HG22 THR A 93 19.455 10.420 -4.730 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.828 11.538 -4.904 1.00 0.00 H new ATOM 1296 N GLU A 94 17.466 12.380 -5.221 1.00 0.00 N ATOM 1297 CA GLU A 94 17.115 12.463 -6.633 1.00 0.00 C ATOM 1298 C GLU A 94 15.724 13.054 -6.818 1.00 0.00 C ATOM 1299 O GLU A 94 15.557 14.087 -7.466 1.00 0.00 O ATOM 1300 CB GLU A 94 17.195 11.080 -7.279 1.00 0.00 C ATOM 1301 CG GLU A 94 18.559 10.429 -7.129 1.00 0.00 C ATOM 1302 CD GLU A 94 18.945 9.589 -8.332 1.00 0.00 C ATOM 1303 OE1 GLU A 94 18.258 9.685 -9.371 1.00 0.00 O ATOM 1304 OE2 GLU A 94 19.937 8.836 -8.235 1.00 0.00 O ATOM 0 H GLU A 94 16.774 11.909 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 94 17.830 13.124 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.440 10.433 -6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.955 11.166 -8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.311 11.203 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.561 9.802 -6.238 1.00 0.00 H new ATOM 1311 N GLY A 95 14.734 12.397 -6.235 1.00 0.00 N ATOM 1312 CA GLY A 95 13.368 12.874 -6.336 1.00 0.00 C ATOM 1313 C GLY A 95 13.167 14.180 -5.596 1.00 0.00 C ATOM 1314 O GLY A 95 12.275 14.962 -5.925 1.00 0.00 O ATOM 0 H GLY A 95 14.850 11.541 -5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.108 13.008 -7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.690 12.121 -5.933 1.00 0.00 H new ATOM 1318 N ASN A 96 14.007 14.417 -4.595 1.00 0.00 N ATOM 1319 CA ASN A 96 13.936 15.638 -3.804 1.00 0.00 C ATOM 1320 C ASN A 96 14.572 16.799 -4.566 1.00 0.00 C ATOM 1321 O ASN A 96 14.144 17.947 -4.444 1.00 0.00 O ATOM 1322 CB ASN A 96 14.628 15.417 -2.449 1.00 0.00 C ATOM 1323 CG ASN A 96 15.232 16.680 -1.860 1.00 0.00 C ATOM 1324 OD1 ASN A 96 14.492 17.779 -1.935 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 16.350 16.666 -1.344 1.00 0.00 N flip ATOM 0 H ASN A 96 14.748 13.776 -4.312 1.00 0.00 H new ATOM 0 HA ASN A 96 12.892 15.891 -3.621 1.00 0.00 H new ATOM 0 HB2 ASN A 96 13.905 15.008 -1.744 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.413 14.671 -2.569 1.00 0.00 H new ATOM 0 HD21 ASN A 96 16.884 15.798 -1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 96 16.742 17.523 -0.952 1.00 0.00 H new ATOM 1332 N LYS A 97 15.596 16.486 -5.354 1.00 0.00 N ATOM 1333 CA LYS A 97 16.301 17.492 -6.146 1.00 0.00 C ATOM 1334 C LYS A 97 15.323 18.441 -6.832 1.00 0.00 C ATOM 1335 O LYS A 97 15.553 19.648 -6.895 1.00 0.00 O ATOM 1336 CB LYS A 97 17.189 16.812 -7.190 1.00 0.00 C ATOM 1337 CG LYS A 97 18.078 15.720 -6.614 1.00 0.00 C ATOM 1338 CD LYS A 97 18.912 16.238 -5.453 1.00 0.00 C ATOM 1339 CE LYS A 97 20.097 17.049 -5.948 1.00 0.00 C ATOM 1340 NZ LYS A 97 21.321 16.795 -5.140 1.00 0.00 N ATOM 0 H LYS A 97 15.959 15.539 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 97 16.924 18.078 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.558 16.382 -7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.816 17.565 -7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.461 14.887 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.736 15.336 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.292 16.855 -4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 97 19.267 15.399 -4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 97 20.294 16.804 -6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.851 18.110 -5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 22.106 17.367 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.142 17.053 -4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 21.571 15.787 -5.196 1.00 0.00 H new ATOM 1354 N ARG A 98 14.229 17.885 -7.334 1.00 0.00 N ATOM 1355 CA ARG A 98 13.209 18.682 -8.005 1.00 0.00 C ATOM 1356 C ARG A 98 12.167 19.177 -7.007 1.00 0.00 C ATOM 1357 O ARG A 98 11.554 20.226 -7.205 1.00 0.00 O ATOM 1358 CB ARG A 98 12.532 17.870 -9.109 1.00 0.00 C ATOM 1359 CG ARG A 98 12.034 16.514 -8.643 1.00 0.00 C ATOM 1360 CD ARG A 98 12.755 15.377 -9.349 1.00 0.00 C ATOM 1361 NE ARG A 98 11.826 14.486 -10.041 1.00 0.00 N ATOM 1362 CZ ARG A 98 12.173 13.691 -11.051 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.428 13.663 -11.483 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.262 12.920 -11.629 1.00 0.00 N ATOM 0 H ARG A 98 14.024 16.887 -7.290 1.00 0.00 H new ATOM 0 HA ARG A 98 13.698 19.546 -8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.692 18.440 -9.506 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.236 17.728 -9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.178 16.424 -7.566 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.963 16.436 -8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.465 15.788 -10.066 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.331 14.806 -8.621 1.00 0.00 H new ATOM 0 HE ARG A 98 10.854 14.472 -9.732 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.133 14.253 -11.041 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.687 13.052 -12.257 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.297 12.937 -11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.527 12.310 -12.403 1.00 0.00 H new ATOM 1378 N GLY A 99 11.972 18.416 -5.932 1.00 0.00 N ATOM 1379 CA GLY A 99 11.005 18.797 -4.920 1.00 0.00 C ATOM 1380 C GLY A 99 9.945 17.735 -4.684 1.00 0.00 C ATOM 1381 O GLY A 99 9.137 17.856 -3.765 1.00 0.00 O ATOM 0 H GLY A 99 12.467 17.544 -5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.526 18.997 -3.984 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.520 19.726 -5.220 1.00 0.00 H new ATOM 1385 N MET A 100 9.943 16.694 -5.515 1.00 0.00 N ATOM 1386 CA MET A 100 8.967 15.620 -5.385 1.00 0.00 C ATOM 1387 C MET A 100 9.473 14.332 -6.024 1.00 0.00 C ATOM 1388 O MET A 100 10.146 14.356 -7.054 1.00 0.00 O ATOM 1389 CB MET A 100 7.647 16.030 -6.030 1.00 0.00 C ATOM 1390 CG MET A 100 7.755 16.244 -7.529 1.00 0.00 C ATOM 1391 SD MET A 100 6.699 15.139 -8.478 1.00 0.00 S ATOM 1392 CE MET A 100 7.737 13.683 -8.575 1.00 0.00 C ATOM 0 H MET A 100 10.605 16.574 -6.282 1.00 0.00 H new ATOM 0 HA MET A 100 8.811 15.436 -4.322 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.899 15.262 -5.832 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.292 16.949 -5.563 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.493 17.276 -7.762 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.791 16.100 -7.837 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.303 12.973 -9.279 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.733 13.968 -8.914 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.808 13.220 -7.591 1.00 0.00 H new ATOM 1402 N ILE A 101 9.144 13.208 -5.398 1.00 0.00 N ATOM 1403 CA ILE A 101 9.561 11.902 -5.887 1.00 0.00 C ATOM 1404 C ILE A 101 8.359 11.073 -6.344 1.00 0.00 C ATOM 1405 O ILE A 101 7.271 11.179 -5.780 1.00 0.00 O ATOM 1406 CB ILE A 101 10.362 11.136 -4.802 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.751 9.764 -4.507 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.453 11.958 -3.524 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.478 9.001 -3.423 1.00 0.00 C ATOM 0 H ILE A 101 8.586 13.177 -4.545 1.00 0.00 H new ATOM 0 HA ILE A 101 10.210 12.064 -6.748 1.00 0.00 H new ATOM 0 HB ILE A 101 11.367 10.975 -5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.710 9.894 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.752 9.170 -5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 101 11.018 11.404 -2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.956 12.902 -3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.450 12.157 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.991 8.039 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.513 8.839 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.455 9.574 -2.496 1.00 0.00 H new ATOM 1421 N GLN A 102 8.568 10.245 -7.364 1.00 0.00 N ATOM 1422 CA GLN A 102 7.509 9.393 -7.891 1.00 0.00 C ATOM 1423 C GLN A 102 7.470 8.071 -7.127 1.00 0.00 C ATOM 1424 O GLN A 102 8.514 7.512 -6.791 1.00 0.00 O ATOM 1425 CB GLN A 102 7.737 9.138 -9.383 1.00 0.00 C ATOM 1426 CG GLN A 102 6.603 8.383 -10.063 1.00 0.00 C ATOM 1427 CD GLN A 102 6.526 6.926 -9.647 1.00 0.00 C ATOM 1428 OE1 GLN A 102 5.439 6.382 -9.458 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.683 6.284 -9.501 1.00 0.00 N ATOM 0 H GLN A 102 9.464 10.147 -7.842 1.00 0.00 H new ATOM 0 HA GLN A 102 6.551 9.898 -7.764 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.877 10.094 -9.887 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.661 8.574 -9.508 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.657 8.872 -9.829 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.733 8.440 -11.144 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.562 6.773 -9.668 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.690 5.303 -9.222 1.00 0.00 H new ATOM 1438 N LEU A 103 6.267 7.576 -6.843 1.00 0.00 N ATOM 1439 CA LEU A 103 6.117 6.326 -6.105 1.00 0.00 C ATOM 1440 C LEU A 103 5.133 5.383 -6.775 1.00 0.00 C ATOM 1441 O LEU A 103 4.092 5.802 -7.276 1.00 0.00 O ATOM 1442 CB LEU A 103 5.636 6.595 -4.677 1.00 0.00 C ATOM 1443 CG LEU A 103 6.570 7.440 -3.815 1.00 0.00 C ATOM 1444 CD1 LEU A 103 8.000 6.934 -3.922 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.476 8.901 -4.220 1.00 0.00 C ATOM 0 H LEU A 103 5.388 8.019 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 103 7.100 5.855 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.667 7.092 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.478 5.638 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 103 6.262 7.353 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.651 7.549 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.046 5.899 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.329 6.991 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.146 9.495 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.762 9.008 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.452 9.251 -4.086 1.00 0.00 H new ATOM 1457 N ILE A 104 5.455 4.098 -6.738 1.00 0.00 N ATOM 1458 CA ILE A 104 4.591 3.071 -7.295 1.00 0.00 C ATOM 1459 C ILE A 104 4.338 2.009 -6.236 1.00 0.00 C ATOM 1460 O ILE A 104 5.253 1.294 -5.831 1.00 0.00 O ATOM 1461 CB ILE A 104 5.208 2.420 -8.549 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.498 3.490 -9.601 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.280 1.351 -9.113 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.320 2.988 -10.765 1.00 0.00 C ATOM 0 H ILE A 104 6.316 3.741 -6.324 1.00 0.00 H new ATOM 0 HA ILE A 104 3.654 3.539 -7.596 1.00 0.00 H new ATOM 0 HB ILE A 104 6.145 1.939 -8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.553 3.883 -9.977 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.023 4.320 -9.128 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.734 0.904 -9.997 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.114 0.579 -8.361 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.326 1.804 -9.385 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.486 3.802 -11.471 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.280 2.622 -10.401 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.788 2.178 -11.264 1.00 0.00 H new ATOM 1476 N VAL A 105 3.098 1.927 -5.773 1.00 0.00 N ATOM 1477 CA VAL A 105 2.738 0.968 -4.739 1.00 0.00 C ATOM 1478 C VAL A 105 1.468 0.203 -5.093 1.00 0.00 C ATOM 1479 O VAL A 105 0.464 0.794 -5.493 1.00 0.00 O ATOM 1480 CB VAL A 105 2.527 1.667 -3.382 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.829 2.273 -2.884 1.00 0.00 C ATOM 1482 CG2 VAL A 105 1.441 2.728 -3.491 1.00 0.00 C ATOM 0 H VAL A 105 2.327 2.511 -6.096 1.00 0.00 H new ATOM 0 HA VAL A 105 3.569 0.266 -4.668 1.00 0.00 H new ATOM 0 HB VAL A 105 2.202 0.921 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.659 2.762 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.574 1.486 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.189 3.006 -3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.306 3.211 -2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.733 3.473 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.505 2.261 -3.797 1.00 0.00 H new ATOM 1492 N ALA A 106 1.515 -1.113 -4.928 1.00 0.00 N ATOM 1493 CA ALA A 106 0.366 -1.962 -5.210 1.00 0.00 C ATOM 1494 C ALA A 106 -0.225 -2.498 -3.912 1.00 0.00 C ATOM 1495 O ALA A 106 0.509 -2.866 -2.994 1.00 0.00 O ATOM 1496 CB ALA A 106 0.765 -3.107 -6.130 1.00 0.00 C ATOM 0 H ALA A 106 2.339 -1.616 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.394 -1.365 -5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.105 -3.732 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.147 -2.704 -7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.539 -3.706 -5.651 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.551 -2.537 -3.832 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.218 -3.026 -2.632 1.00 0.00 C ATOM 1504 C ARG A 107 -3.353 -3.984 -2.978 1.00 0.00 C ATOM 1505 O ARG A 107 -3.658 -4.209 -4.150 1.00 0.00 O ATOM 1506 CB ARG A 107 -2.753 -1.859 -1.792 1.00 0.00 C ATOM 1507 CG ARG A 107 -3.335 -0.718 -2.611 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.851 -0.802 -2.687 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.493 -0.100 -1.578 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.766 0.286 -1.582 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.538 0.040 -2.633 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.269 0.920 -0.533 1.00 0.00 N ATOM 0 H ARG A 107 -2.180 -2.238 -4.577 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.478 -3.571 -2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.521 -2.235 -1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.944 -1.471 -1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.044 0.234 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.918 -0.742 -3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.191 -0.377 -3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.157 -1.848 -2.680 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.932 0.106 -0.752 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.156 -0.447 -3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.513 0.338 -2.630 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.680 1.112 0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.245 1.216 -0.536 1.00 0.00 H new ATOM 1683 N ILE B 10 11.012 -1.203 11.150 1.00 0.00 N ATOM 1684 CA ILE B 10 10.472 -0.144 10.315 1.00 0.00 C ATOM 1685 C ILE B 10 11.530 0.909 10.011 1.00 0.00 C ATOM 1686 O ILE B 10 12.492 1.074 10.762 1.00 0.00 O ATOM 1687 CB ILE B 10 9.258 0.535 10.976 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.563 -0.414 11.958 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.282 1.001 9.910 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.885 -1.591 11.290 1.00 0.00 C ATOM 0 HA ILE B 10 10.150 -0.611 9.384 1.00 0.00 H new ATOM 0 HB ILE B 10 9.611 1.399 11.538 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.298 -0.786 12.672 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.821 0.146 12.527 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.426 1.480 10.385 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.777 1.714 9.250 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.942 0.144 9.329 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.415 -2.218 12.048 1.00 0.00 H new ATOM 0 HD12 ILE B 10 7.126 -1.228 10.597 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.625 -2.175 10.744 1.00 0.00 H new ATOM 1702 N THR B 11 11.348 1.614 8.901 1.00 0.00 N ATOM 1703 CA THR B 11 12.289 2.651 8.490 1.00 0.00 C ATOM 1704 C THR B 11 11.570 3.971 8.237 1.00 0.00 C ATOM 1705 O THR B 11 10.525 4.008 7.586 1.00 0.00 O ATOM 1706 CB THR B 11 13.041 2.208 7.230 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.865 1.090 7.509 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.921 3.290 6.639 1.00 0.00 C ATOM 0 H THR B 11 10.558 1.487 8.269 1.00 0.00 H new ATOM 0 HA THR B 11 13.005 2.804 9.298 1.00 0.00 H new ATOM 0 HB THR B 11 12.266 1.961 6.505 1.00 0.00 H new ATOM 0 HG1 THR B 11 14.250 0.751 6.674 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.422 2.906 5.750 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.308 4.149 6.367 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.667 3.594 7.373 1.00 0.00 H new ATOM 1716 N LYS B 12 12.138 5.055 8.754 1.00 0.00 N ATOM 1717 CA LYS B 12 11.554 6.379 8.583 1.00 0.00 C ATOM 1718 C LYS B 12 11.941 6.966 7.231 1.00 0.00 C ATOM 1719 O LYS B 12 13.095 7.329 7.005 1.00 0.00 O ATOM 1720 CB LYS B 12 12.012 7.311 9.707 1.00 0.00 C ATOM 1721 CG LYS B 12 10.975 8.351 10.095 1.00 0.00 C ATOM 1722 CD LYS B 12 9.686 7.702 10.576 1.00 0.00 C ATOM 1723 CE LYS B 12 9.432 7.987 12.047 1.00 0.00 C ATOM 1724 NZ LYS B 12 8.799 9.318 12.254 1.00 0.00 N ATOM 0 H LYS B 12 13.003 5.042 9.295 1.00 0.00 H new ATOM 0 HA LYS B 12 10.469 6.282 8.623 1.00 0.00 H new ATOM 0 HB2 LYS B 12 12.261 6.714 10.584 1.00 0.00 H new ATOM 0 HB3 LYS B 12 12.925 7.819 9.397 1.00 0.00 H new ATOM 0 HG2 LYS B 12 11.376 8.991 10.881 1.00 0.00 H new ATOM 0 HG3 LYS B 12 10.763 8.992 9.239 1.00 0.00 H new ATOM 0 HD2 LYS B 12 8.849 8.071 9.983 1.00 0.00 H new ATOM 0 HD3 LYS B 12 9.739 6.625 10.417 1.00 0.00 H new ATOM 0 HE2 LYS B 12 8.789 7.211 12.461 1.00 0.00 H new ATOM 0 HE3 LYS B 12 10.375 7.945 12.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 8.643 9.474 13.270 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 9.424 10.061 11.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 7.887 9.350 11.755 1.00 0.00 H new ATOM 1738 N VAL B 13 10.966 7.057 6.331 1.00 0.00 N ATOM 1739 CA VAL B 13 11.206 7.597 4.999 1.00 0.00 C ATOM 1740 C VAL B 13 10.159 8.646 4.633 1.00 0.00 C ATOM 1741 O VAL B 13 9.712 9.378 5.543 1.00 0.00 O ATOM 1742 CB VAL B 13 11.210 6.480 3.934 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.213 5.399 4.302 1.00 0.00 C ATOM 1744 CG2 VAL B 13 9.818 5.886 3.767 1.00 0.00 C ATOM 1745 OXT VAL B 13 9.792 8.728 3.441 1.00 0.00 O ATOM 0 H VAL B 13 10.004 6.764 6.501 1.00 0.00 H new ATOM 0 HA VAL B 13 12.188 8.069 5.017 1.00 0.00 H new ATOM 0 HB VAL B 13 11.508 6.918 2.981 1.00 0.00 H new ATOM 0 HG11 VAL B 13 12.203 4.619 3.541 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.211 5.834 4.363 1.00 0.00 H new ATOM 0 HG13 VAL B 13 11.946 4.968 5.267 1.00 0.00 H new ATOM 0 HG21 VAL B 13 9.846 5.101 3.011 1.00 0.00 H new ATOM 0 HG22 VAL B 13 9.486 5.465 4.716 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.124 6.667 3.454 1.00 0.00 H new