USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 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 66 ASN : amide:sc= 0.972 K(o=1.6,f=-3.6) USER MOD Set 1.2: A 78 LYS NZ :NH3+ -167:sc= 0.616 (180deg=0) USER MOD Set 2.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 107 HIS : no HD1:sc= -0.185 K(o=-0.18,f=-0.71) USER MOD Set 3.1: A 51 THR OG1 : rot -95:sc= 0.907 USER MOD Set 3.2: A 109 SER OG : rot 180:sc= 0.791 USER MOD Single : A 36 THR OG1 : rot 180:sc=-0.00191 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.966 K(o=0.97,f=-9!) USER MOD Single : A 55 SER OG : rot -71:sc= 1.22 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -140:sc= 0 (180deg=-0.0352) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0294 USER MOD Single : A 74 ASN : amide:sc= 0.519 K(o=0.52,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.0488 X(o=-0.049,f=-0.049) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 170:sc= 0.374 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 102 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 108 MET CE :methyl -178:sc= -1.53 (180deg=-1.59) USER MOD Single : A 116 ASN : amide:sc= 0.544 K(o=0.54,f=-4.5!) USER MOD Single : A 118 SER OG : rot 94:sc= 1.03 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot -14:sc= 1.17 USER MOD Single : A 127 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 GLN : amide:sc= -0.0276 X(o=-0.028,f=-0.3) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0.329 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 36 0.650 -6.402 9.023 1.00 0.00 N ATOM 49 CA THR A 36 -0.600 -6.483 8.232 1.00 0.00 C ATOM 50 C THR A 36 -0.836 -5.197 7.436 1.00 0.00 C ATOM 51 O THR A 36 -0.282 -4.145 7.772 1.00 0.00 O ATOM 52 CB THR A 36 -1.824 -6.847 9.094 1.00 0.00 C ATOM 53 OG1 THR A 36 -2.896 -7.189 8.243 1.00 0.00 O ATOM 54 CG2 THR A 36 -2.274 -5.722 10.030 1.00 0.00 C ATOM 0 HA THR A 36 -0.470 -7.299 7.521 1.00 0.00 H new ATOM 0 HB THR A 36 -1.526 -7.683 9.727 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.680 -7.424 8.782 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.140 -6.051 10.605 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.462 -5.469 10.711 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.541 -4.844 9.442 1.00 0.00 H new ATOM 62 N PHE A 37 -1.657 -5.285 6.384 1.00 0.00 N ATOM 63 CA PHE A 37 -2.000 -4.188 5.466 1.00 0.00 C ATOM 64 C PHE A 37 -3.522 -4.016 5.395 1.00 0.00 C ATOM 65 O PHE A 37 -4.261 -4.994 5.259 1.00 0.00 O ATOM 66 CB PHE A 37 -1.415 -4.437 4.057 1.00 0.00 C ATOM 67 CG PHE A 37 -0.021 -5.040 4.034 1.00 0.00 C ATOM 68 CD1 PHE A 37 0.955 -4.574 4.928 1.00 0.00 C ATOM 69 CD2 PHE A 37 0.267 -6.136 3.201 1.00 0.00 C ATOM 70 CE1 PHE A 37 2.158 -5.279 5.092 1.00 0.00 C ATOM 71 CE2 PHE A 37 1.494 -6.812 3.325 1.00 0.00 C ATOM 72 CZ PHE A 37 2.433 -6.397 4.287 1.00 0.00 C ATOM 0 H PHE A 37 -2.121 -6.159 6.137 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.559 -3.269 5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.089 -5.099 3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.393 -3.490 3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.780 -3.670 5.492 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.455 -6.459 2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.872 -4.962 5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.716 -7.650 2.681 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.361 -6.936 4.406 1.00 0.00 H new ATOM 82 N SER A 38 -4.001 -2.778 5.489 1.00 0.00 N ATOM 83 CA SER A 38 -5.440 -2.461 5.507 1.00 0.00 C ATOM 84 C SER A 38 -5.828 -1.187 4.713 1.00 0.00 C ATOM 85 O SER A 38 -4.992 -0.291 4.540 1.00 0.00 O ATOM 86 CB SER A 38 -5.951 -2.407 6.959 1.00 0.00 C ATOM 87 OG SER A 38 -5.339 -1.373 7.718 1.00 0.00 O ATOM 0 H SER A 38 -3.402 -1.955 5.556 1.00 0.00 H new ATOM 0 HA SER A 38 -5.939 -3.273 4.978 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.031 -2.258 6.954 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.763 -3.366 7.442 1.00 0.00 H new ATOM 0 HG SER A 38 -5.698 -1.380 8.630 1.00 0.00 H new ATOM 93 N PRO A 39 -7.087 -1.069 4.233 1.00 0.00 N ATOM 94 CA PRO A 39 -8.134 -2.093 4.242 1.00 0.00 C ATOM 95 C PRO A 39 -7.802 -3.245 3.286 1.00 0.00 C ATOM 96 O PRO A 39 -6.981 -3.099 2.381 1.00 0.00 O ATOM 97 CB PRO A 39 -9.414 -1.377 3.798 1.00 0.00 C ATOM 98 CG PRO A 39 -8.884 -0.285 2.874 1.00 0.00 C ATOM 99 CD PRO A 39 -7.571 0.120 3.540 1.00 0.00 C ATOM 0 HA PRO A 39 -8.237 -2.540 5.231 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.096 -2.051 3.279 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.960 -0.961 4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.726 -0.655 1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.576 0.554 2.802 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.847 0.462 2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.725 0.943 4.238 1.00 0.00 H new ATOM 107 N ALA A 40 -8.468 -4.389 3.472 1.00 0.00 N ATOM 108 CA ALA A 40 -8.367 -5.526 2.551 1.00 0.00 C ATOM 109 C ALA A 40 -8.806 -5.156 1.119 1.00 0.00 C ATOM 110 O ALA A 40 -8.222 -5.650 0.154 1.00 0.00 O ATOM 111 CB ALA A 40 -9.200 -6.683 3.116 1.00 0.00 C ATOM 0 H ALA A 40 -9.091 -4.553 4.263 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.323 -5.829 2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.137 -7.539 2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.816 -6.963 4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.240 -6.371 3.209 1.00 0.00 H new ATOM 117 N LEU A 41 -9.774 -4.240 0.983 1.00 0.00 N ATOM 118 CA LEU A 41 -10.194 -3.630 -0.279 1.00 0.00 C ATOM 119 C LEU A 41 -10.477 -2.139 -0.052 1.00 0.00 C ATOM 120 O LEU A 41 -11.357 -1.779 0.733 1.00 0.00 O ATOM 121 CB LEU A 41 -11.427 -4.381 -0.825 1.00 0.00 C ATOM 122 CG LEU A 41 -12.096 -3.725 -2.054 1.00 0.00 C ATOM 123 CD1 LEU A 41 -11.160 -3.619 -3.268 1.00 0.00 C ATOM 124 CD2 LEU A 41 -13.345 -4.525 -2.449 1.00 0.00 C ATOM 0 H LEU A 41 -10.305 -3.892 1.782 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.403 -3.708 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.129 -5.395 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.166 -4.464 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.361 -2.709 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.690 -3.150 -4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.291 -3.016 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.834 -4.616 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.815 -4.061 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.059 -5.548 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.049 -4.535 -1.617 1.00 0.00 H new ATOM 136 N LEU A 42 -9.752 -1.276 -0.766 1.00 0.00 N ATOM 137 CA LEU A 42 -9.995 0.162 -0.858 1.00 0.00 C ATOM 138 C LEU A 42 -10.719 0.463 -2.177 1.00 0.00 C ATOM 139 O LEU A 42 -10.217 0.108 -3.241 1.00 0.00 O ATOM 140 CB LEU A 42 -8.636 0.884 -0.783 1.00 0.00 C ATOM 141 CG LEU A 42 -8.703 2.420 -0.871 1.00 0.00 C ATOM 142 CD1 LEU A 42 -9.562 3.045 0.238 1.00 0.00 C ATOM 143 CD2 LEU A 42 -7.281 2.987 -0.782 1.00 0.00 C ATOM 0 H LEU A 42 -8.947 -1.573 -1.318 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.625 0.511 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.149 0.611 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.003 0.517 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.171 2.671 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.571 4.129 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.581 2.664 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.144 2.786 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.318 4.075 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.831 2.692 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.682 2.598 -1.605 1.00 0.00 H new ATOM 155 N VAL A 43 -11.865 1.144 -2.118 1.00 0.00 N ATOM 156 CA VAL A 43 -12.574 1.667 -3.300 1.00 0.00 C ATOM 157 C VAL A 43 -12.435 3.190 -3.310 1.00 0.00 C ATOM 158 O VAL A 43 -12.774 3.848 -2.326 1.00 0.00 O ATOM 159 CB VAL A 43 -14.066 1.256 -3.344 1.00 0.00 C ATOM 160 CG1 VAL A 43 -14.705 1.673 -4.682 1.00 0.00 C ATOM 161 CG2 VAL A 43 -14.250 -0.263 -3.162 1.00 0.00 C ATOM 0 H VAL A 43 -12.338 1.353 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.119 1.231 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 43 -14.557 1.770 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.753 1.375 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.634 2.754 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -14.181 1.185 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -15.311 -0.508 -3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.727 -0.791 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -13.841 -0.566 -2.198 1.00 0.00 H new ATOM 171 N VAL A 44 -11.941 3.736 -4.421 1.00 0.00 N ATOM 172 CA VAL A 44 -11.866 5.187 -4.685 1.00 0.00 C ATOM 173 C VAL A 44 -12.480 5.525 -6.045 1.00 0.00 C ATOM 174 O VAL A 44 -12.627 4.644 -6.890 1.00 0.00 O ATOM 175 CB VAL A 44 -10.419 5.730 -4.637 1.00 0.00 C ATOM 176 CG1 VAL A 44 -9.808 5.573 -3.237 1.00 0.00 C ATOM 177 CG2 VAL A 44 -9.504 5.089 -5.696 1.00 0.00 C ATOM 0 H VAL A 44 -11.570 3.173 -5.187 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.433 5.668 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.488 6.792 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.791 5.964 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.409 6.125 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.790 4.518 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.502 5.510 -5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.460 4.012 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.902 5.291 -6.691 1.00 0.00 H new ATOM 187 N THR A 45 -12.792 6.806 -6.272 1.00 0.00 N ATOM 188 CA THR A 45 -13.185 7.326 -7.589 1.00 0.00 C ATOM 189 C THR A 45 -11.945 7.753 -8.377 1.00 0.00 C ATOM 190 O THR A 45 -10.963 8.229 -7.812 1.00 0.00 O ATOM 191 CB THR A 45 -14.192 8.470 -7.430 1.00 0.00 C ATOM 192 OG1 THR A 45 -15.371 7.919 -6.879 1.00 0.00 O ATOM 193 CG2 THR A 45 -14.578 9.120 -8.758 1.00 0.00 C ATOM 0 H THR A 45 -12.779 7.518 -5.541 1.00 0.00 H new ATOM 0 HA THR A 45 -13.679 6.538 -8.158 1.00 0.00 H new ATOM 0 HB THR A 45 -13.731 9.234 -6.804 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.039 8.626 -6.762 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.293 9.922 -8.576 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.688 9.529 -9.235 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.029 8.373 -9.411 1.00 0.00 H new ATOM 201 N GLU A 46 -12.003 7.593 -9.696 1.00 0.00 N ATOM 202 CA GLU A 46 -10.983 8.030 -10.644 1.00 0.00 C ATOM 203 C GLU A 46 -10.674 9.528 -10.473 1.00 0.00 C ATOM 204 O GLU A 46 -11.564 10.382 -10.545 1.00 0.00 O ATOM 205 CB GLU A 46 -11.463 7.686 -12.061 1.00 0.00 C ATOM 206 CG GLU A 46 -10.374 7.831 -13.126 1.00 0.00 C ATOM 207 CD GLU A 46 -10.962 7.804 -14.546 1.00 0.00 C ATOM 208 OE1 GLU A 46 -11.928 7.048 -14.802 1.00 0.00 O ATOM 209 OE2 GLU A 46 -10.442 8.527 -15.425 1.00 0.00 O1- ATOM 0 H GLU A 46 -12.794 7.137 -10.152 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.044 7.509 -10.456 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.836 6.662 -12.071 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.301 8.333 -12.319 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.837 8.767 -12.972 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.648 7.025 -13.017 1.00 0.00 H new ATOM 216 N GLY A 47 -9.400 9.838 -10.223 1.00 0.00 N ATOM 217 CA GLY A 47 -8.886 11.176 -9.917 1.00 0.00 C ATOM 218 C GLY A 47 -8.868 11.535 -8.428 1.00 0.00 C ATOM 219 O GLY A 47 -8.504 12.661 -8.097 1.00 0.00 O ATOM 0 H GLY A 47 -8.665 9.131 -10.228 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.872 11.258 -10.308 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.492 11.912 -10.446 1.00 0.00 H new ATOM 223 N ASP A 48 -9.236 10.623 -7.525 1.00 0.00 N ATOM 224 CA ASP A 48 -9.040 10.783 -6.076 1.00 0.00 C ATOM 225 C ASP A 48 -7.677 10.213 -5.626 1.00 0.00 C ATOM 226 O ASP A 48 -7.094 9.349 -6.286 1.00 0.00 O ATOM 227 CB ASP A 48 -10.208 10.123 -5.322 1.00 0.00 C ATOM 228 CG ASP A 48 -10.246 10.444 -3.816 1.00 0.00 C ATOM 229 OD1 ASP A 48 -9.824 11.556 -3.416 1.00 0.00 O1- ATOM 230 OD2 ASP A 48 -10.732 9.586 -3.042 1.00 0.00 O ATOM 0 H ASP A 48 -9.683 9.742 -7.779 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.029 11.846 -5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.146 10.444 -5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.145 9.042 -5.451 1.00 0.00 H new ATOM 235 N ASN A 49 -7.167 10.690 -4.488 1.00 0.00 N ATOM 236 CA ASN A 49 -5.944 10.176 -3.865 1.00 0.00 C ATOM 237 C ASN A 49 -6.277 8.962 -2.975 1.00 0.00 C ATOM 238 O ASN A 49 -7.046 9.078 -2.016 1.00 0.00 O ATOM 239 CB ASN A 49 -5.262 11.293 -3.056 1.00 0.00 C ATOM 240 CG ASN A 49 -4.898 12.522 -3.889 1.00 0.00 C ATOM 241 OD1 ASN A 49 -4.496 12.434 -5.044 1.00 0.00 O ATOM 242 ND2 ASN A 49 -5.030 13.710 -3.328 1.00 0.00 N ATOM 0 H ASN A 49 -7.597 11.454 -3.966 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.251 9.846 -4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.924 11.598 -2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.357 10.896 -2.597 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.798 14.552 -3.855 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.364 13.786 -2.367 1.00 0.00 H new ATOM 249 N ALA A 50 -5.698 7.795 -3.276 1.00 0.00 N ATOM 250 CA ALA A 50 -5.920 6.543 -2.541 1.00 0.00 C ATOM 251 C ALA A 50 -4.781 6.289 -1.542 1.00 0.00 C ATOM 252 O ALA A 50 -3.622 6.332 -1.959 1.00 0.00 O ATOM 253 CB ALA A 50 -6.011 5.406 -3.570 1.00 0.00 C ATOM 0 H ALA A 50 -5.047 7.691 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.843 6.602 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.176 4.460 -3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.840 5.597 -4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.081 5.353 -4.136 1.00 0.00 H new ATOM 259 N THR A 51 -5.078 5.999 -0.265 1.00 0.00 N ATOM 260 CA THR A 51 -4.059 5.684 0.759 1.00 0.00 C ATOM 261 C THR A 51 -4.431 4.440 1.561 1.00 0.00 C ATOM 262 O THR A 51 -5.548 4.333 2.068 1.00 0.00 O ATOM 263 CB THR A 51 -3.786 6.879 1.685 1.00 0.00 C ATOM 264 OG1 THR A 51 -3.371 7.972 0.895 1.00 0.00 O ATOM 265 CG2 THR A 51 -2.655 6.618 2.688 1.00 0.00 C ATOM 0 H THR A 51 -6.034 5.975 0.091 1.00 0.00 H new ATOM 0 HA THR A 51 -3.133 5.469 0.225 1.00 0.00 H new ATOM 0 HB THR A 51 -4.708 7.066 2.235 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.392 8.000 0.864 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.512 7.500 3.312 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.916 5.767 3.317 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.733 6.402 2.148 1.00 0.00 H new ATOM 273 N PHE A 52 -3.467 3.528 1.698 1.00 0.00 N ATOM 274 CA PHE A 52 -3.517 2.330 2.541 1.00 0.00 C ATOM 275 C PHE A 52 -2.704 2.526 3.828 1.00 0.00 C ATOM 276 O PHE A 52 -1.745 3.302 3.851 1.00 0.00 O ATOM 277 CB PHE A 52 -2.931 1.138 1.769 1.00 0.00 C ATOM 278 CG PHE A 52 -3.763 0.666 0.596 1.00 0.00 C ATOM 279 CD1 PHE A 52 -4.760 -0.308 0.794 1.00 0.00 C ATOM 280 CD2 PHE A 52 -3.529 1.181 -0.694 1.00 0.00 C ATOM 281 CE1 PHE A 52 -5.520 -0.767 -0.293 1.00 0.00 C ATOM 282 CE2 PHE A 52 -4.288 0.719 -1.783 1.00 0.00 C ATOM 283 CZ PHE A 52 -5.283 -0.253 -1.578 1.00 0.00 C ATOM 0 H PHE A 52 -2.582 3.609 1.197 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.558 2.144 2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.940 1.411 1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.799 0.306 2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.940 -0.702 1.783 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.767 1.931 -0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.285 -1.514 -0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.108 1.109 -2.774 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.868 -0.606 -2.414 1.00 0.00 H new ATOM 293 N THR A 53 -3.051 1.764 4.870 1.00 0.00 N ATOM 294 CA THR A 53 -2.278 1.615 6.110 1.00 0.00 C ATOM 295 C THR A 53 -1.475 0.322 6.009 1.00 0.00 C ATOM 296 O THR A 53 -1.997 -0.710 5.585 1.00 0.00 O ATOM 297 CB THR A 53 -3.203 1.577 7.332 1.00 0.00 C ATOM 298 OG1 THR A 53 -4.007 2.739 7.356 1.00 0.00 O ATOM 299 CG2 THR A 53 -2.419 1.539 8.647 1.00 0.00 C ATOM 0 H THR A 53 -3.909 1.213 4.875 1.00 0.00 H new ATOM 0 HA THR A 53 -1.611 2.468 6.235 1.00 0.00 H new ATOM 0 HB THR A 53 -3.804 0.672 7.246 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.598 2.712 8.137 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.115 1.513 9.485 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.790 0.649 8.670 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.793 2.428 8.723 1.00 0.00 H new ATOM 307 N CYS A 54 -0.207 0.363 6.403 1.00 0.00 N ATOM 308 CA CYS A 54 0.712 -0.777 6.371 1.00 0.00 C ATOM 309 C CYS A 54 1.555 -0.817 7.651 1.00 0.00 C ATOM 310 O CYS A 54 2.209 0.159 8.014 1.00 0.00 O ATOM 311 CB CYS A 54 1.565 -0.674 5.099 1.00 0.00 C ATOM 312 SG CYS A 54 2.895 -1.889 4.929 1.00 0.00 S ATOM 0 H CYS A 54 0.226 1.213 6.764 1.00 0.00 H new ATOM 0 HA CYS A 54 0.163 -1.718 6.339 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.906 -0.765 4.236 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.004 0.323 5.061 1.00 0.00 H new ATOM 317 N SER A 55 1.527 -1.939 8.359 1.00 0.00 N ATOM 318 CA SER A 55 2.154 -2.100 9.672 1.00 0.00 C ATOM 319 C SER A 55 3.277 -3.142 9.623 1.00 0.00 C ATOM 320 O SER A 55 3.143 -4.157 8.936 1.00 0.00 O ATOM 321 CB SER A 55 1.096 -2.565 10.681 1.00 0.00 C ATOM 322 OG SER A 55 0.092 -1.587 10.908 1.00 0.00 O ATOM 0 H SER A 55 1.058 -2.784 8.032 1.00 0.00 H new ATOM 0 HA SER A 55 2.577 -1.141 9.970 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.630 -3.481 10.318 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.582 -2.808 11.626 1.00 0.00 H new ATOM 0 HG SER A 55 0.470 -0.844 11.423 1.00 0.00 H new ATOM 328 N PHE A 56 4.355 -2.910 10.384 1.00 0.00 N ATOM 329 CA PHE A 56 5.432 -3.870 10.637 1.00 0.00 C ATOM 330 C PHE A 56 5.961 -3.836 12.071 1.00 0.00 C ATOM 331 O PHE A 56 5.989 -2.800 12.733 1.00 0.00 O ATOM 332 CB PHE A 56 6.625 -3.606 9.702 1.00 0.00 C ATOM 333 CG PHE A 56 6.470 -4.315 8.387 1.00 0.00 C ATOM 334 CD1 PHE A 56 5.770 -3.682 7.354 1.00 0.00 C ATOM 335 CD2 PHE A 56 6.934 -5.634 8.230 1.00 0.00 C ATOM 336 CE1 PHE A 56 5.520 -4.370 6.165 1.00 0.00 C ATOM 337 CE2 PHE A 56 6.667 -6.327 7.034 1.00 0.00 C ATOM 338 CZ PHE A 56 5.964 -5.693 5.994 1.00 0.00 C ATOM 0 H PHE A 56 4.504 -2.018 10.855 1.00 0.00 H new ATOM 0 HA PHE A 56 4.987 -4.848 10.456 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.720 -2.534 9.528 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.545 -3.934 10.185 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.425 -2.666 7.476 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.491 -6.112 9.022 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.980 -3.881 5.368 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.002 -7.347 6.915 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.767 -6.218 5.071 1.00 0.00 H new ATOM 424 N PHE A 63 15.196 -1.100 9.537 1.00 0.00 N ATOM 425 CA PHE A 63 14.729 -1.848 8.373 1.00 0.00 C ATOM 426 C PHE A 63 14.274 -0.917 7.236 1.00 0.00 C ATOM 427 O PHE A 63 13.840 0.211 7.476 1.00 0.00 O ATOM 428 CB PHE A 63 13.628 -2.850 8.792 1.00 0.00 C ATOM 429 CG PHE A 63 12.366 -2.266 9.405 1.00 0.00 C ATOM 430 CD1 PHE A 63 12.270 -2.094 10.801 1.00 0.00 C ATOM 431 CD2 PHE A 63 11.258 -1.961 8.591 1.00 0.00 C ATOM 432 CE1 PHE A 63 11.076 -1.622 11.376 1.00 0.00 C ATOM 433 CE2 PHE A 63 10.062 -1.497 9.167 1.00 0.00 C ATOM 434 CZ PHE A 63 9.970 -1.327 10.560 1.00 0.00 C ATOM 0 HA PHE A 63 15.566 -2.420 7.973 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.342 -3.428 7.913 1.00 0.00 H new ATOM 0 HB3 PHE A 63 14.060 -3.550 9.507 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.116 -2.325 11.431 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.327 -2.084 7.520 1.00 0.00 H new ATOM 0 HE1 PHE A 63 11.009 -1.486 12.445 1.00 0.00 H new ATOM 0 HE2 PHE A 63 9.213 -1.271 8.539 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.051 -0.970 11.002 1.00 0.00 H new ATOM 444 N VAL A 64 14.352 -1.415 5.999 1.00 0.00 N ATOM 445 CA VAL A 64 13.807 -0.769 4.795 1.00 0.00 C ATOM 446 C VAL A 64 12.432 -1.378 4.541 1.00 0.00 C ATOM 447 O VAL A 64 12.290 -2.600 4.514 1.00 0.00 O ATOM 448 CB VAL A 64 14.704 -0.957 3.545 1.00 0.00 C ATOM 449 CG1 VAL A 64 14.141 -0.207 2.325 1.00 0.00 C ATOM 450 CG2 VAL A 64 16.134 -0.454 3.809 1.00 0.00 C ATOM 0 H VAL A 64 14.809 -2.305 5.798 1.00 0.00 H new ATOM 0 HA VAL A 64 13.754 0.306 4.968 1.00 0.00 H new ATOM 0 HB VAL A 64 14.721 -2.026 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 64 14.797 -0.362 1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.145 -0.585 2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 64 14.082 0.858 2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 64 16.741 -0.598 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 64 16.106 0.606 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 64 16.569 -1.013 4.637 1.00 0.00 H new ATOM 460 N LEU A 65 11.424 -0.522 4.381 1.00 0.00 N ATOM 461 CA LEU A 65 10.023 -0.891 4.188 1.00 0.00 C ATOM 462 C LEU A 65 9.603 -0.497 2.770 1.00 0.00 C ATOM 463 O LEU A 65 9.662 0.670 2.397 1.00 0.00 O ATOM 464 CB LEU A 65 9.223 -0.217 5.317 1.00 0.00 C ATOM 465 CG LEU A 65 7.689 -0.350 5.310 1.00 0.00 C ATOM 466 CD1 LEU A 65 7.026 0.754 4.484 1.00 0.00 C ATOM 467 CD2 LEU A 65 7.167 -1.724 4.875 1.00 0.00 C ATOM 0 H LEU A 65 11.567 0.488 4.382 1.00 0.00 H new ATOM 0 HA LEU A 65 9.837 -1.963 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.586 -0.616 6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.464 0.846 5.305 1.00 0.00 H new ATOM 0 HG LEU A 65 7.405 -0.237 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.944 0.624 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.283 1.727 4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.378 0.699 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.077 -1.724 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.506 -1.938 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.546 -2.489 5.553 1.00 0.00 H new ATOM 479 N ASN A 66 9.211 -1.488 1.973 1.00 0.00 N ATOM 480 CA ASN A 66 8.976 -1.389 0.532 1.00 0.00 C ATOM 481 C ASN A 66 7.503 -1.662 0.177 1.00 0.00 C ATOM 482 O ASN A 66 6.814 -2.384 0.903 1.00 0.00 O ATOM 483 CB ASN A 66 9.873 -2.421 -0.172 1.00 0.00 C ATOM 484 CG ASN A 66 11.337 -2.354 0.258 1.00 0.00 C ATOM 485 OD1 ASN A 66 12.124 -1.574 -0.262 1.00 0.00 O ATOM 486 ND2 ASN A 66 11.741 -3.164 1.220 1.00 0.00 N ATOM 0 H ASN A 66 9.040 -2.428 2.330 1.00 0.00 H new ATOM 0 HA ASN A 66 9.211 -0.376 0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.489 -3.421 0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.812 -2.268 -1.249 1.00 0.00 H new ATOM 0 HD21 ASN A 66 12.712 -3.141 1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.082 -3.813 1.651 1.00 0.00 H new ATOM 493 N TRP A 67 7.035 -1.133 -0.958 1.00 0.00 N ATOM 494 CA TRP A 67 5.660 -1.292 -1.451 1.00 0.00 C ATOM 495 C TRP A 67 5.614 -1.877 -2.873 1.00 0.00 C ATOM 496 O TRP A 67 6.399 -1.481 -3.740 1.00 0.00 O ATOM 497 CB TRP A 67 4.981 0.081 -1.406 1.00 0.00 C ATOM 498 CG TRP A 67 3.505 0.122 -1.668 1.00 0.00 C ATOM 499 CD1 TRP A 67 2.617 -0.882 -1.468 1.00 0.00 C ATOM 500 CD2 TRP A 67 2.706 1.272 -2.083 1.00 0.00 C ATOM 501 NE1 TRP A 67 1.339 -0.440 -1.739 1.00 0.00 N ATOM 502 CE2 TRP A 67 1.331 0.886 -2.108 1.00 0.00 C ATOM 503 CE3 TRP A 67 3.004 2.615 -2.396 1.00 0.00 C ATOM 504 CZ2 TRP A 67 0.303 1.788 -2.422 1.00 0.00 C ATOM 505 CZ3 TRP A 67 1.980 3.531 -2.697 1.00 0.00 C ATOM 506 CH2 TRP A 67 0.636 3.121 -2.705 1.00 0.00 C ATOM 0 H TRP A 67 7.616 -0.567 -1.577 1.00 0.00 H new ATOM 0 HA TRP A 67 5.133 -2.002 -0.814 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.162 0.516 -0.423 1.00 0.00 H new ATOM 0 HB3 TRP A 67 5.472 0.725 -2.135 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.872 -1.880 -1.144 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.504 -1.023 -1.674 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.033 2.944 -2.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.726 1.462 -2.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 2.229 4.557 -2.924 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -0.143 3.834 -2.930 1.00 0.00 H new ATOM 517 N TYR A 68 4.678 -2.802 -3.116 1.00 0.00 N ATOM 518 CA TYR A 68 4.540 -3.550 -4.368 1.00 0.00 C ATOM 519 C TYR A 68 3.082 -3.676 -4.852 1.00 0.00 C ATOM 520 O TYR A 68 2.156 -3.839 -4.051 1.00 0.00 O ATOM 521 CB TYR A 68 5.119 -4.964 -4.187 1.00 0.00 C ATOM 522 CG TYR A 68 6.536 -5.025 -3.650 1.00 0.00 C ATOM 523 CD1 TYR A 68 7.632 -5.001 -4.534 1.00 0.00 C ATOM 524 CD2 TYR A 68 6.756 -5.115 -2.261 1.00 0.00 C ATOM 525 CE1 TYR A 68 8.947 -5.058 -4.034 1.00 0.00 C ATOM 526 CE2 TYR A 68 8.068 -5.166 -1.755 1.00 0.00 C ATOM 527 CZ TYR A 68 9.170 -5.132 -2.639 1.00 0.00 C ATOM 528 OH TYR A 68 10.438 -5.175 -2.145 1.00 0.00 O ATOM 0 H TYR A 68 3.974 -3.058 -2.424 1.00 0.00 H new ATOM 0 HA TYR A 68 5.086 -2.987 -5.125 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.469 -5.520 -3.512 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.091 -5.475 -5.149 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.463 -4.939 -5.599 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.916 -5.145 -1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.785 -5.045 -4.715 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.233 -5.231 -0.690 1.00 0.00 H new ATOM 0 HH TYR A 68 10.406 -5.223 -1.167 1.00 0.00 H new ATOM 538 N ARG A 69 2.904 -3.664 -6.180 1.00 0.00 N ATOM 539 CA ARG A 69 1.658 -4.019 -6.884 1.00 0.00 C ATOM 540 C ARG A 69 1.848 -5.388 -7.543 1.00 0.00 C ATOM 541 O ARG A 69 2.934 -5.662 -8.051 1.00 0.00 O ATOM 542 CB ARG A 69 1.334 -2.958 -7.950 1.00 0.00 C ATOM 543 CG ARG A 69 0.006 -3.224 -8.675 1.00 0.00 C ATOM 544 CD ARG A 69 -0.368 -2.063 -9.607 1.00 0.00 C ATOM 545 NE ARG A 69 -1.640 -2.320 -10.311 1.00 0.00 N ATOM 546 CZ ARG A 69 -1.788 -3.009 -11.439 1.00 0.00 C ATOM 547 NH1 ARG A 69 -0.766 -3.539 -12.079 1.00 0.00 N1+ ATOM 548 NH2 ARG A 69 -2.985 -3.186 -11.951 1.00 0.00 N ATOM 0 H ARG A 69 3.651 -3.397 -6.821 1.00 0.00 H new ATOM 0 HA ARG A 69 0.829 -4.059 -6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.294 -1.976 -7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.141 -2.927 -8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.084 -4.145 -9.253 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.787 -3.373 -7.942 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.451 -1.143 -9.028 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.428 -1.910 -10.336 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.486 -1.932 -9.893 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.179 -3.428 -11.712 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.920 -4.061 -12.942 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.803 -2.795 -11.483 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.097 -3.715 -12.816 1.00 0.00 H new ATOM 562 N MET A 70 0.829 -6.245 -7.558 1.00 0.00 N ATOM 563 CA MET A 70 0.904 -7.562 -8.207 1.00 0.00 C ATOM 564 C MET A 70 0.549 -7.506 -9.699 1.00 0.00 C ATOM 565 O MET A 70 -0.328 -6.751 -10.122 1.00 0.00 O ATOM 566 CB MET A 70 0.025 -8.593 -7.491 1.00 0.00 C ATOM 567 CG MET A 70 0.351 -8.678 -5.993 1.00 0.00 C ATOM 568 SD MET A 70 -0.163 -10.218 -5.195 1.00 0.00 S ATOM 569 CE MET A 70 1.164 -11.298 -5.790 1.00 0.00 C ATOM 0 H MET A 70 -0.073 -6.051 -7.123 1.00 0.00 H new ATOM 0 HA MET A 70 1.944 -7.877 -8.130 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.024 -8.328 -7.620 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.166 -9.572 -7.950 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.426 -8.558 -5.861 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.128 -7.842 -5.483 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.751 -12.273 -6.048 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.626 -10.855 -6.672 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.914 -11.417 -5.008 1.00 0.00 H new ATOM 579 N SER A 71 1.211 -8.338 -10.492 1.00 0.00 N ATOM 580 CA SER A 71 0.964 -8.509 -11.932 1.00 0.00 C ATOM 581 C SER A 71 -0.043 -9.649 -12.216 1.00 0.00 C ATOM 582 O SER A 71 -0.185 -10.552 -11.380 1.00 0.00 O ATOM 583 CB SER A 71 2.294 -8.804 -12.648 1.00 0.00 C ATOM 584 OG SER A 71 3.225 -7.746 -12.463 1.00 0.00 O ATOM 0 H SER A 71 1.962 -8.936 -10.146 1.00 0.00 H new ATOM 0 HA SER A 71 0.529 -7.583 -12.308 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.716 -9.734 -12.267 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.112 -8.949 -13.713 1.00 0.00 H new ATOM 0 HG SER A 71 4.061 -7.961 -12.927 1.00 0.00 H new ATOM 590 N PRO A 72 -0.704 -9.676 -13.398 1.00 0.00 N ATOM 591 CA PRO A 72 -1.591 -10.770 -13.822 1.00 0.00 C ATOM 592 C PRO A 72 -0.914 -12.151 -13.865 1.00 0.00 C ATOM 593 O PRO A 72 -1.577 -13.173 -13.706 1.00 0.00 O ATOM 594 CB PRO A 72 -2.085 -10.386 -15.222 1.00 0.00 C ATOM 595 CG PRO A 72 -1.950 -8.867 -15.253 1.00 0.00 C ATOM 596 CD PRO A 72 -0.703 -8.625 -14.408 1.00 0.00 C ATOM 0 HA PRO A 72 -2.395 -10.878 -13.094 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.485 -10.857 -16.001 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.117 -10.699 -15.382 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.830 -8.492 -16.269 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.826 -8.374 -14.833 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.199 -8.669 -15.019 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.728 -7.638 -13.947 1.00 0.00 H new ATOM 604 N SER A 73 0.409 -12.189 -14.048 1.00 0.00 N ATOM 605 CA SER A 73 1.262 -13.387 -14.017 1.00 0.00 C ATOM 606 C SER A 73 1.565 -13.907 -12.593 1.00 0.00 C ATOM 607 O SER A 73 2.295 -14.887 -12.431 1.00 0.00 O ATOM 608 CB SER A 73 2.578 -13.017 -14.720 1.00 0.00 C ATOM 609 OG SER A 73 3.139 -11.832 -14.152 1.00 0.00 O ATOM 0 H SER A 73 0.945 -11.341 -14.232 1.00 0.00 H new ATOM 0 HA SER A 73 0.730 -14.197 -14.516 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.287 -13.840 -14.631 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.397 -12.866 -15.784 1.00 0.00 H new ATOM 0 HG SER A 73 3.977 -11.614 -14.612 1.00 0.00 H new ATOM 615 N ASN A 74 1.047 -13.230 -11.558 1.00 0.00 N ATOM 616 CA ASN A 74 1.313 -13.452 -10.127 1.00 0.00 C ATOM 617 C ASN A 74 2.738 -13.012 -9.716 1.00 0.00 C ATOM 618 O ASN A 74 3.261 -13.434 -8.680 1.00 0.00 O ATOM 619 CB ASN A 74 0.937 -14.893 -9.712 1.00 0.00 C ATOM 620 CG ASN A 74 0.388 -14.991 -8.289 1.00 0.00 C ATOM 621 OD1 ASN A 74 -0.793 -15.245 -8.078 1.00 0.00 O ATOM 622 ND2 ASN A 74 1.207 -14.795 -7.272 1.00 0.00 N ATOM 0 H ASN A 74 0.390 -12.464 -11.706 1.00 0.00 H new ATOM 0 HA ASN A 74 0.659 -12.798 -9.551 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.193 -15.281 -10.408 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.818 -15.530 -9.798 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.856 -14.855 -6.316 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.190 -14.583 -7.442 1.00 0.00 H new ATOM 629 N GLN A 75 3.360 -12.138 -10.514 1.00 0.00 N ATOM 630 CA GLN A 75 4.601 -11.445 -10.161 1.00 0.00 C ATOM 631 C GLN A 75 4.281 -10.133 -9.411 1.00 0.00 C ATOM 632 O GLN A 75 3.122 -9.878 -9.070 1.00 0.00 O ATOM 633 CB GLN A 75 5.450 -11.223 -11.433 1.00 0.00 C ATOM 634 CG GLN A 75 5.869 -12.529 -12.137 1.00 0.00 C ATOM 635 CD GLN A 75 6.787 -13.401 -11.277 1.00 0.00 C ATOM 636 OE1 GLN A 75 6.374 -14.379 -10.667 1.00 0.00 O ATOM 637 NE2 GLN A 75 8.061 -13.074 -11.168 1.00 0.00 N ATOM 0 H GLN A 75 3.008 -11.889 -11.439 1.00 0.00 H new ATOM 0 HA GLN A 75 5.195 -12.056 -9.481 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.884 -10.609 -12.134 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.345 -10.661 -11.167 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.976 -13.097 -12.398 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.377 -12.286 -13.070 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.424 -12.263 -11.668 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.683 -13.633 -10.583 1.00 0.00 H new ATOM 646 N THR A 76 5.295 -9.299 -9.145 1.00 0.00 N ATOM 647 CA THR A 76 5.202 -8.052 -8.369 1.00 0.00 C ATOM 648 C THR A 76 6.080 -6.973 -8.982 1.00 0.00 C ATOM 649 O THR A 76 7.124 -7.264 -9.570 1.00 0.00 O ATOM 650 CB THR A 76 5.609 -8.244 -6.897 1.00 0.00 C ATOM 651 OG1 THR A 76 6.717 -9.116 -6.788 1.00 0.00 O ATOM 652 CG2 THR A 76 4.456 -8.798 -6.063 1.00 0.00 C ATOM 0 H THR A 76 6.242 -9.481 -9.478 1.00 0.00 H new ATOM 0 HA THR A 76 4.155 -7.749 -8.399 1.00 0.00 H new ATOM 0 HB THR A 76 5.881 -7.260 -6.514 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.959 -9.221 -5.844 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.780 -8.920 -5.030 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.615 -8.106 -6.100 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.149 -9.764 -6.464 1.00 0.00 H new ATOM 660 N ASP A 77 5.665 -5.718 -8.816 1.00 0.00 N ATOM 661 CA ASP A 77 6.392 -4.532 -9.268 1.00 0.00 C ATOM 662 C ASP A 77 6.562 -3.524 -8.128 1.00 0.00 C ATOM 663 O ASP A 77 5.601 -3.207 -7.424 1.00 0.00 O ATOM 664 CB ASP A 77 5.611 -3.893 -10.418 1.00 0.00 C ATOM 665 CG ASP A 77 6.421 -2.834 -11.181 1.00 0.00 C ATOM 666 OD1 ASP A 77 7.647 -3.023 -11.367 1.00 0.00 O ATOM 667 OD2 ASP A 77 5.822 -1.820 -11.607 1.00 0.00 O1- ATOM 0 H ASP A 77 4.787 -5.491 -8.349 1.00 0.00 H new ATOM 0 HA ASP A 77 7.387 -4.826 -9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.297 -4.672 -11.113 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.705 -3.434 -10.023 1.00 0.00 H new ATOM 672 N LYS A 78 7.784 -3.017 -7.951 1.00 0.00 N ATOM 673 CA LYS A 78 8.126 -2.096 -6.860 1.00 0.00 C ATOM 674 C LYS A 78 7.683 -0.656 -7.173 1.00 0.00 C ATOM 675 O LYS A 78 7.931 -0.133 -8.265 1.00 0.00 O ATOM 676 CB LYS A 78 9.628 -2.182 -6.531 1.00 0.00 C ATOM 677 CG LYS A 78 9.900 -1.651 -5.113 1.00 0.00 C ATOM 678 CD LYS A 78 11.396 -1.619 -4.783 1.00 0.00 C ATOM 679 CE LYS A 78 11.571 -1.403 -3.276 1.00 0.00 C ATOM 680 NZ LYS A 78 12.945 -0.980 -2.927 1.00 0.00 N1+ ATOM 0 H LYS A 78 8.570 -3.234 -8.563 1.00 0.00 H new ATOM 0 HA LYS A 78 7.575 -2.402 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.965 -3.216 -6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.199 -1.604 -7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.487 -0.647 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.383 -2.278 -4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.868 -2.553 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.887 -0.819 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.863 -0.648 -2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.332 -2.326 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.082 -1.058 -1.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.631 -1.591 -3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.090 0.007 -3.221 1.00 0.00 H new ATOM 694 N LEU A 79 7.027 -0.027 -6.195 1.00 0.00 N ATOM 695 CA LEU A 79 6.333 1.256 -6.336 1.00 0.00 C ATOM 696 C LEU A 79 7.083 2.407 -5.653 1.00 0.00 C ATOM 697 O LEU A 79 7.241 3.474 -6.244 1.00 0.00 O ATOM 698 CB LEU A 79 4.934 1.093 -5.717 1.00 0.00 C ATOM 699 CG LEU A 79 4.081 -0.056 -6.297 1.00 0.00 C ATOM 700 CD1 LEU A 79 2.802 -0.132 -5.461 1.00 0.00 C ATOM 701 CD2 LEU A 79 3.767 0.148 -7.784 1.00 0.00 C ATOM 0 H LEU A 79 6.962 -0.409 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 79 6.274 1.515 -7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.046 0.933 -4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.388 2.028 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 79 4.634 -0.994 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.168 -0.934 -5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.059 -0.331 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.267 0.815 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.165 -0.685 -8.146 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.214 1.078 -7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.698 0.196 -8.349 1.00 0.00 H new ATOM 713 N ALA A 80 7.539 2.178 -4.417 1.00 0.00 N ATOM 714 CA ALA A 80 8.181 3.141 -3.517 1.00 0.00 C ATOM 715 C ALA A 80 8.684 2.424 -2.244 1.00 0.00 C ATOM 716 O ALA A 80 8.438 1.227 -2.059 1.00 0.00 O ATOM 717 CB ALA A 80 7.197 4.288 -3.206 1.00 0.00 C ATOM 0 H ALA A 80 7.464 1.254 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 80 9.055 3.581 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.673 5.005 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.916 4.788 -4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.305 3.883 -2.728 1.00 0.00 H new ATOM 723 N ALA A 81 9.369 3.156 -1.359 1.00 0.00 N ATOM 724 CA ALA A 81 9.932 2.646 -0.108 1.00 0.00 C ATOM 725 C ALA A 81 10.210 3.767 0.907 1.00 0.00 C ATOM 726 O ALA A 81 10.232 4.951 0.559 1.00 0.00 O ATOM 727 CB ALA A 81 11.233 1.885 -0.410 1.00 0.00 C ATOM 0 H ALA A 81 9.551 4.150 -1.499 1.00 0.00 H new ATOM 0 HA ALA A 81 9.196 1.979 0.340 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.656 1.504 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.020 1.052 -1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.947 2.559 -0.883 1.00 0.00 H new ATOM 733 N PHE A 82 10.479 3.365 2.149 1.00 0.00 N ATOM 734 CA PHE A 82 10.976 4.201 3.236 1.00 0.00 C ATOM 735 C PHE A 82 12.216 3.545 3.892 1.00 0.00 C ATOM 736 O PHE A 82 12.224 2.315 4.011 1.00 0.00 O ATOM 737 CB PHE A 82 9.848 4.411 4.252 1.00 0.00 C ATOM 738 CG PHE A 82 10.185 5.463 5.283 1.00 0.00 C ATOM 739 CD1 PHE A 82 10.064 6.824 4.950 1.00 0.00 C ATOM 740 CD2 PHE A 82 10.744 5.094 6.520 1.00 0.00 C ATOM 741 CE1 PHE A 82 10.416 7.814 5.885 1.00 0.00 C ATOM 742 CE2 PHE A 82 11.115 6.083 7.448 1.00 0.00 C ATOM 743 CZ PHE A 82 10.931 7.443 7.140 1.00 0.00 C ATOM 0 H PHE A 82 10.348 2.395 2.437 1.00 0.00 H new ATOM 0 HA PHE A 82 11.288 5.172 2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.939 4.701 3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.637 3.468 4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 82 9.700 7.110 3.974 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.888 4.050 6.757 1.00 0.00 H new ATOM 0 HE1 PHE A 82 10.291 8.858 5.639 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.542 5.798 8.398 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.185 8.201 7.866 1.00 0.00 H new ATOM 753 N PRO A 83 13.245 4.302 4.348 1.00 0.00 N ATOM 754 CA PRO A 83 13.362 5.769 4.368 1.00 0.00 C ATOM 755 C PRO A 83 13.246 6.473 3.027 1.00 0.00 C ATOM 756 O PRO A 83 12.598 7.505 2.869 1.00 0.00 O ATOM 757 CB PRO A 83 14.698 6.077 5.055 1.00 0.00 C ATOM 758 CG PRO A 83 14.924 4.857 5.943 1.00 0.00 C ATOM 759 CD PRO A 83 14.358 3.723 5.092 1.00 0.00 C ATOM 0 HA PRO A 83 12.503 6.168 4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.503 6.203 4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.648 6.996 5.639 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.980 4.708 6.168 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.405 4.947 6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 83 15.115 3.326 4.416 1.00 0.00 H new ATOM 0 HD3 PRO A 83 14.022 2.895 5.717 1.00 0.00 H new ATOM 907 N ARG A 94 3.898 8.578 -9.081 1.00 0.00 N ATOM 908 CA ARG A 94 2.510 8.490 -8.603 1.00 0.00 C ATOM 909 C ARG A 94 2.382 7.933 -7.176 1.00 0.00 C ATOM 910 O ARG A 94 1.403 8.230 -6.481 1.00 0.00 O ATOM 911 CB ARG A 94 1.700 7.587 -9.550 1.00 0.00 C ATOM 912 CG ARG A 94 1.663 8.113 -10.994 1.00 0.00 C ATOM 913 CD ARG A 94 0.900 7.165 -11.931 1.00 0.00 C ATOM 914 NE ARG A 94 -0.507 6.944 -11.540 1.00 0.00 N ATOM 915 CZ ARG A 94 -1.483 7.843 -11.477 1.00 0.00 C ATOM 916 NH1 ARG A 94 -1.318 9.113 -11.780 1.00 0.00 N1+ ATOM 917 NH2 ARG A 94 -2.679 7.467 -11.106 1.00 0.00 N ATOM 0 HA ARG A 94 2.127 9.510 -8.589 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.130 6.585 -9.545 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.680 7.498 -9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.192 9.096 -11.010 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.682 8.242 -11.359 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.927 7.570 -12.943 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.415 6.205 -11.958 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.759 5.988 -11.289 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.404 9.451 -12.082 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.104 9.760 -11.713 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.856 6.491 -10.868 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.435 8.150 -11.054 1.00 0.00 H new ATOM 931 N PHE A 95 3.342 7.097 -6.775 1.00 0.00 N ATOM 932 CA PHE A 95 3.354 6.331 -5.528 1.00 0.00 C ATOM 933 C PHE A 95 4.261 6.975 -4.464 1.00 0.00 C ATOM 934 O PHE A 95 5.344 7.475 -4.783 1.00 0.00 O ATOM 935 CB PHE A 95 3.813 4.899 -5.849 1.00 0.00 C ATOM 936 CG PHE A 95 2.963 4.204 -6.901 1.00 0.00 C ATOM 937 CD1 PHE A 95 1.764 3.568 -6.530 1.00 0.00 C ATOM 938 CD2 PHE A 95 3.348 4.224 -8.256 1.00 0.00 C ATOM 939 CE1 PHE A 95 0.944 2.974 -7.506 1.00 0.00 C ATOM 940 CE2 PHE A 95 2.527 3.633 -9.234 1.00 0.00 C ATOM 941 CZ PHE A 95 1.321 3.014 -8.859 1.00 0.00 C ATOM 0 H PHE A 95 4.174 6.928 -7.340 1.00 0.00 H new ATOM 0 HA PHE A 95 2.349 6.319 -5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.847 4.927 -6.191 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.796 4.308 -4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.472 3.536 -5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.276 4.694 -8.545 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.025 2.487 -7.216 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.823 3.655 -10.272 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.685 2.570 -9.610 1.00 0.00 H new ATOM 951 N ARG A 96 3.836 6.926 -3.195 1.00 0.00 N ATOM 952 CA ARG A 96 4.563 7.451 -2.025 1.00 0.00 C ATOM 953 C ARG A 96 4.366 6.550 -0.796 1.00 0.00 C ATOM 954 O ARG A 96 3.268 6.042 -0.578 1.00 0.00 O ATOM 955 CB ARG A 96 4.079 8.894 -1.757 1.00 0.00 C ATOM 956 CG ARG A 96 4.609 9.491 -0.441 1.00 0.00 C ATOM 957 CD ARG A 96 4.196 10.953 -0.244 1.00 0.00 C ATOM 958 NE ARG A 96 4.418 11.352 1.156 1.00 0.00 N ATOM 959 CZ ARG A 96 4.306 12.560 1.686 1.00 0.00 C ATOM 960 NH1 ARG A 96 4.072 13.633 0.959 1.00 0.00 N1+ ATOM 961 NH2 ARG A 96 4.427 12.682 2.988 1.00 0.00 N ATOM 0 H ARG A 96 2.942 6.504 -2.942 1.00 0.00 H new ATOM 0 HA ARG A 96 5.633 7.461 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.389 9.531 -2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.989 8.904 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.240 8.898 0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.697 9.420 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.772 11.596 -0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.146 11.082 -0.506 1.00 0.00 H new ATOM 0 HE ARG A 96 4.692 10.606 1.796 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.970 13.551 -0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.993 14.546 1.408 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.603 11.858 3.563 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.345 13.601 3.424 1.00 0.00 H new ATOM 975 N VAL A 97 5.401 6.409 0.037 1.00 0.00 N ATOM 976 CA VAL A 97 5.354 5.771 1.370 1.00 0.00 C ATOM 977 C VAL A 97 5.786 6.794 2.432 1.00 0.00 C ATOM 978 O VAL A 97 6.812 7.453 2.256 1.00 0.00 O ATOM 979 CB VAL A 97 6.276 4.528 1.445 1.00 0.00 C ATOM 980 CG1 VAL A 97 6.221 3.852 2.824 1.00 0.00 C ATOM 981 CG2 VAL A 97 5.917 3.480 0.378 1.00 0.00 C ATOM 0 H VAL A 97 6.334 6.747 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 97 4.332 5.439 1.552 1.00 0.00 H new ATOM 0 HB VAL A 97 7.284 4.900 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.882 2.986 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.541 4.559 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 97 5.200 3.531 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 97 6.588 2.626 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.888 3.150 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 97 6.020 3.921 -0.614 1.00 0.00 H new ATOM 991 N THR A 98 5.023 6.910 3.528 1.00 0.00 N ATOM 992 CA THR A 98 5.318 7.794 4.674 1.00 0.00 C ATOM 993 C THR A 98 5.300 6.986 5.971 1.00 0.00 C ATOM 994 O THR A 98 4.366 6.220 6.197 1.00 0.00 O ATOM 995 CB THR A 98 4.286 8.930 4.757 1.00 0.00 C ATOM 996 OG1 THR A 98 4.181 9.564 3.500 1.00 0.00 O ATOM 997 CG2 THR A 98 4.684 10.007 5.765 1.00 0.00 C ATOM 0 H THR A 98 4.160 6.380 3.649 1.00 0.00 H new ATOM 0 HA THR A 98 6.307 8.229 4.532 1.00 0.00 H new ATOM 0 HB THR A 98 3.346 8.475 5.069 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.415 10.176 3.505 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.922 10.786 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.775 9.562 6.756 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.640 10.442 5.474 1.00 0.00 H new ATOM 1005 N GLN A 99 6.298 7.165 6.839 1.00 0.00 N ATOM 1006 CA GLN A 99 6.316 6.574 8.183 1.00 0.00 C ATOM 1007 C GLN A 99 5.548 7.462 9.177 1.00 0.00 C ATOM 1008 O GLN A 99 5.681 8.687 9.169 1.00 0.00 O ATOM 1009 CB GLN A 99 7.769 6.352 8.633 1.00 0.00 C ATOM 1010 CG GLN A 99 7.871 5.551 9.944 1.00 0.00 C ATOM 1011 CD GLN A 99 9.319 5.329 10.380 1.00 0.00 C ATOM 1012 OE1 GLN A 99 9.910 4.276 10.177 1.00 0.00 O ATOM 1013 NE2 GLN A 99 9.955 6.311 10.991 1.00 0.00 N ATOM 0 H GLN A 99 7.123 7.727 6.630 1.00 0.00 H new ATOM 0 HA GLN A 99 5.814 5.607 8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.312 5.826 7.848 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.256 7.318 8.764 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.334 6.079 10.732 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.381 4.586 9.816 1.00 0.00 H new ATOM 0 HE21 GLN A 99 9.478 7.195 11.168 1.00 0.00 H new ATOM 0 HE22 GLN A 99 10.923 6.186 11.286 1.00 0.00 H new ATOM 1022 N LEU A 100 4.760 6.836 10.056 1.00 0.00 N ATOM 1023 CA LEU A 100 3.962 7.503 11.090 1.00 0.00 C ATOM 1024 C LEU A 100 4.788 7.772 12.366 1.00 0.00 C ATOM 1025 O LEU A 100 5.774 7.063 12.611 1.00 0.00 O ATOM 1026 CB LEU A 100 2.725 6.629 11.396 1.00 0.00 C ATOM 1027 CG LEU A 100 1.842 6.289 10.176 1.00 0.00 C ATOM 1028 CD1 LEU A 100 0.564 5.577 10.637 1.00 0.00 C ATOM 1029 CD2 LEU A 100 1.460 7.523 9.347 1.00 0.00 C ATOM 0 H LEU A 100 4.656 5.821 10.068 1.00 0.00 H new ATOM 0 HA LEU A 100 3.641 8.477 10.722 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.062 5.698 11.851 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.112 7.142 12.136 1.00 0.00 H new ATOM 0 HG LEU A 100 2.436 5.637 9.535 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.054 5.341 9.770 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.828 4.656 11.157 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.008 6.228 11.312 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.840 7.217 8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.905 8.223 9.971 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.364 8.006 8.976 1.00 0.00 H new ATOM 1041 N PRO A 101 4.366 8.719 13.235 1.00 0.00 N ATOM 1042 CA PRO A 101 4.998 8.970 14.534 1.00 0.00 C ATOM 1043 C PRO A 101 4.921 7.778 15.508 1.00 0.00 C ATOM 1044 O PRO A 101 5.549 7.821 16.566 1.00 0.00 O ATOM 1045 CB PRO A 101 4.312 10.222 15.096 1.00 0.00 C ATOM 1046 CG PRO A 101 2.944 10.214 14.421 1.00 0.00 C ATOM 1047 CD PRO A 101 3.264 9.656 13.037 1.00 0.00 C ATOM 0 HA PRO A 101 6.070 9.118 14.404 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.224 10.178 16.182 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.871 11.127 14.858 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.231 9.588 14.956 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.512 11.213 14.366 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.397 9.155 12.606 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.546 10.453 12.349 1.00 0.00 H new ATOM 1055 N ASN A 102 4.208 6.697 15.160 1.00 0.00 N ATOM 1056 CA ASN A 102 4.238 5.420 15.885 1.00 0.00 C ATOM 1057 C ASN A 102 5.645 4.776 15.910 1.00 0.00 C ATOM 1058 O ASN A 102 5.948 3.987 16.808 1.00 0.00 O ATOM 1059 CB ASN A 102 3.234 4.462 15.221 1.00 0.00 C ATOM 1060 CG ASN A 102 1.798 4.968 15.313 1.00 0.00 C ATOM 1061 OD1 ASN A 102 1.290 5.615 14.405 1.00 0.00 O ATOM 1062 ND2 ASN A 102 1.112 4.710 16.414 1.00 0.00 N ATOM 0 H ASN A 102 3.584 6.686 14.353 1.00 0.00 H new ATOM 0 HA ASN A 102 3.968 5.613 16.923 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.503 4.328 14.173 1.00 0.00 H new ATOM 0 HB3 ASN A 102 3.302 3.483 15.695 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.155 5.050 16.510 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.540 4.171 17.167 1.00 0.00 H new ATOM 1069 N GLY A 103 6.505 5.087 14.928 1.00 0.00 N ATOM 1070 CA GLY A 103 7.916 4.661 14.857 1.00 0.00 C ATOM 1071 C GLY A 103 8.148 3.321 14.146 1.00 0.00 C ATOM 1072 O GLY A 103 9.274 3.041 13.732 1.00 0.00 O ATOM 0 H GLY A 103 6.230 5.662 14.132 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.489 5.433 14.343 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.312 4.592 15.870 1.00 0.00 H new ATOM 1076 N ARG A 104 7.089 2.522 13.970 1.00 0.00 N ATOM 1077 CA ARG A 104 7.045 1.309 13.141 1.00 0.00 C ATOM 1078 C ARG A 104 5.599 1.049 12.689 1.00 0.00 C ATOM 1079 O ARG A 104 4.899 0.161 13.173 1.00 0.00 O ATOM 1080 CB ARG A 104 7.735 0.112 13.830 1.00 0.00 C ATOM 1081 CG ARG A 104 7.338 -0.134 15.300 1.00 0.00 C ATOM 1082 CD ARG A 104 7.865 -1.472 15.844 1.00 0.00 C ATOM 1083 NE ARG A 104 9.338 -1.559 15.791 1.00 0.00 N ATOM 1084 CZ ARG A 104 10.083 -2.622 16.079 1.00 0.00 C ATOM 1085 NH1 ARG A 104 9.572 -3.758 16.505 1.00 0.00 N ATOM 1086 NH2 ARG A 104 11.387 -2.570 15.927 1.00 0.00 N1+ ATOM 0 H ARG A 104 6.195 2.712 14.423 1.00 0.00 H new ATOM 0 HA ARG A 104 7.632 1.460 12.235 1.00 0.00 H new ATOM 0 HB2 ARG A 104 7.515 -0.789 13.258 1.00 0.00 H new ATOM 0 HB3 ARG A 104 8.814 0.263 13.785 1.00 0.00 H new ATOM 0 HG2 ARG A 104 7.721 0.680 15.916 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.252 -0.115 15.386 1.00 0.00 H new ATOM 0 HD2 ARG A 104 7.533 -1.598 16.874 1.00 0.00 H new ATOM 0 HD3 ARG A 104 7.434 -2.291 15.268 1.00 0.00 H new ATOM 0 HE ARG A 104 9.836 -0.716 15.504 1.00 0.00 H new ATOM 0 HH11 ARG A 104 8.563 -3.850 16.627 1.00 0.00 H new ATOM 0 HH12 ARG A 104 10.185 -4.547 16.713 1.00 0.00 H new ATOM 0 HH21 ARG A 104 11.827 -1.715 15.588 1.00 0.00 H new ATOM 0 HH22 ARG A 104 11.959 -3.385 16.148 1.00 0.00 H new ATOM 1100 N ASP A 105 5.168 1.882 11.743 1.00 0.00 N ATOM 1101 CA ASP A 105 3.845 1.935 11.109 1.00 0.00 C ATOM 1102 C ASP A 105 3.890 2.966 9.968 1.00 0.00 C ATOM 1103 O ASP A 105 4.646 3.941 10.044 1.00 0.00 O ATOM 1104 CB ASP A 105 2.734 2.262 12.119 1.00 0.00 C ATOM 1105 CG ASP A 105 1.487 1.405 11.875 1.00 0.00 C ATOM 1106 OD1 ASP A 105 1.487 0.224 12.302 1.00 0.00 O1- ATOM 1107 OD2 ASP A 105 0.521 1.903 11.258 1.00 0.00 O ATOM 0 H ASP A 105 5.786 2.600 11.366 1.00 0.00 H new ATOM 0 HA ASP A 105 3.604 0.952 10.705 1.00 0.00 H new ATOM 0 HB2 ASP A 105 3.100 2.094 13.132 1.00 0.00 H new ATOM 0 HB3 ASP A 105 2.472 3.318 12.045 1.00 0.00 H new ATOM 1112 N PHE A 106 3.107 2.746 8.911 1.00 0.00 N ATOM 1113 CA PHE A 106 3.241 3.471 7.644 1.00 0.00 C ATOM 1114 C PHE A 106 1.906 3.700 6.916 1.00 0.00 C ATOM 1115 O PHE A 106 0.967 2.912 7.026 1.00 0.00 O ATOM 1116 CB PHE A 106 4.199 2.688 6.715 1.00 0.00 C ATOM 1117 CG PHE A 106 5.550 2.320 7.313 1.00 0.00 C ATOM 1118 CD1 PHE A 106 5.683 1.171 8.119 1.00 0.00 C ATOM 1119 CD2 PHE A 106 6.675 3.132 7.075 1.00 0.00 C ATOM 1120 CE1 PHE A 106 6.911 0.868 8.733 1.00 0.00 C ATOM 1121 CE2 PHE A 106 7.912 2.807 7.660 1.00 0.00 C ATOM 1122 CZ PHE A 106 8.028 1.687 8.501 1.00 0.00 C ATOM 0 H PHE A 106 2.356 2.055 8.909 1.00 0.00 H new ATOM 0 HA PHE A 106 3.635 4.458 7.887 1.00 0.00 H new ATOM 0 HB2 PHE A 106 3.701 1.771 6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.370 3.282 5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 106 4.835 0.518 8.266 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.588 4.004 6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 106 6.995 0.008 9.381 1.00 0.00 H new ATOM 0 HE2 PHE A 106 8.778 3.422 7.462 1.00 0.00 H new ATOM 0 HZ PHE A 106 8.974 1.457 8.968 1.00 0.00 H new ATOM 1132 N HIS A 107 1.863 4.764 6.110 1.00 0.00 N ATOM 1133 CA HIS A 107 0.811 5.059 5.130 1.00 0.00 C ATOM 1134 C HIS A 107 1.397 5.045 3.705 1.00 0.00 C ATOM 1135 O HIS A 107 2.525 5.498 3.486 1.00 0.00 O ATOM 1136 CB HIS A 107 0.160 6.420 5.435 1.00 0.00 C ATOM 1137 CG HIS A 107 -0.902 6.396 6.504 1.00 0.00 C ATOM 1138 ND1 HIS A 107 -1.458 5.259 7.097 1.00 0.00 N ATOM 1139 CD2 HIS A 107 -1.525 7.499 7.012 1.00 0.00 C ATOM 1140 CE1 HIS A 107 -2.388 5.708 7.954 1.00 0.00 C ATOM 1141 NE2 HIS A 107 -2.450 7.050 7.927 1.00 0.00 N ATOM 0 H HIS A 107 2.593 5.476 6.122 1.00 0.00 H new ATOM 0 HA HIS A 107 0.042 4.290 5.197 1.00 0.00 H new ATOM 0 HB2 HIS A 107 0.940 7.119 5.736 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.280 6.809 4.517 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -1.330 8.528 6.747 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -3.002 5.077 8.580 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -3.073 7.633 8.486 1.00 0.00 H new ATOM 1149 N MET A 108 0.642 4.526 2.736 1.00 0.00 N ATOM 1150 CA MET A 108 1.088 4.316 1.352 1.00 0.00 C ATOM 1151 C MET A 108 0.067 4.883 0.368 1.00 0.00 C ATOM 1152 O MET A 108 -1.063 4.404 0.310 1.00 0.00 O ATOM 1153 CB MET A 108 1.297 2.820 1.107 1.00 0.00 C ATOM 1154 CG MET A 108 2.376 2.248 2.026 1.00 0.00 C ATOM 1155 SD MET A 108 2.826 0.567 1.577 1.00 0.00 S ATOM 1156 CE MET A 108 4.331 0.409 2.552 1.00 0.00 C ATOM 0 H MET A 108 -0.322 4.231 2.893 1.00 0.00 H new ATOM 0 HA MET A 108 2.031 4.839 1.197 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.359 2.289 1.270 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.579 2.656 0.067 1.00 0.00 H new ATOM 0 HG2 MET A 108 3.261 2.883 1.984 1.00 0.00 H new ATOM 0 HG3 MET A 108 2.020 2.265 3.056 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.779 -0.569 2.374 1.00 0.00 H new ATOM 0 HE2 MET A 108 5.035 1.189 2.263 1.00 0.00 H new ATOM 0 HE3 MET A 108 4.091 0.511 3.610 1.00 0.00 H new ATOM 1166 N SER A 109 0.450 5.904 -0.393 1.00 0.00 N ATOM 1167 CA SER A 109 -0.466 6.727 -1.195 1.00 0.00 C ATOM 1168 C SER A 109 -0.236 6.636 -2.715 1.00 0.00 C ATOM 1169 O SER A 109 0.896 6.771 -3.183 1.00 0.00 O ATOM 1170 CB SER A 109 -0.330 8.203 -0.784 1.00 0.00 C ATOM 1171 OG SER A 109 -0.581 8.412 0.599 1.00 0.00 O ATOM 0 H SER A 109 1.425 6.193 -0.475 1.00 0.00 H new ATOM 0 HA SER A 109 -1.462 6.333 -0.994 1.00 0.00 H new ATOM 0 HB2 SER A 109 0.675 8.552 -1.024 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.025 8.805 -1.370 1.00 0.00 H new ATOM 0 HG SER A 109 -0.481 9.364 0.810 1.00 0.00 H new ATOM 1177 N VAL A 110 -1.319 6.476 -3.487 1.00 0.00 N ATOM 1178 CA VAL A 110 -1.380 6.612 -4.953 1.00 0.00 C ATOM 1179 C VAL A 110 -2.062 7.952 -5.246 1.00 0.00 C ATOM 1180 O VAL A 110 -3.243 8.122 -4.933 1.00 0.00 O ATOM 1181 CB VAL A 110 -2.190 5.483 -5.649 1.00 0.00 C ATOM 1182 CG1 VAL A 110 -2.003 5.559 -7.175 1.00 0.00 C ATOM 1183 CG2 VAL A 110 -1.824 4.075 -5.160 1.00 0.00 C ATOM 0 H VAL A 110 -2.226 6.235 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.364 6.551 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.234 5.651 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.575 4.763 -7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.354 6.525 -7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.947 5.442 -7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.428 3.338 -5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.768 3.885 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.015 4.000 -4.089 1.00 0.00 H new ATOM 1193 N VAL A 111 -1.332 8.908 -5.826 1.00 0.00 N ATOM 1194 CA VAL A 111 -1.882 10.237 -6.153 1.00 0.00 C ATOM 1195 C VAL A 111 -2.749 10.171 -7.422 1.00 0.00 C ATOM 1196 O VAL A 111 -2.333 9.571 -8.415 1.00 0.00 O ATOM 1197 CB VAL A 111 -0.764 11.307 -6.250 1.00 0.00 C ATOM 1198 CG1 VAL A 111 0.024 11.276 -7.568 1.00 0.00 C ATOM 1199 CG2 VAL A 111 -1.325 12.721 -6.041 1.00 0.00 C ATOM 0 H VAL A 111 -0.352 8.790 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.533 10.549 -5.336 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.069 11.052 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.786 12.055 -7.555 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.502 10.303 -7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.656 11.448 -8.403 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.516 13.448 -6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.074 12.932 -6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.784 12.788 -5.055 1.00 0.00 H new ATOM 1209 N ARG A 112 -3.947 10.782 -7.388 1.00 0.00 N ATOM 1210 CA ARG A 112 -4.865 10.935 -8.536 1.00 0.00 C ATOM 1211 C ARG A 112 -5.026 9.624 -9.327 1.00 0.00 C ATOM 1212 O ARG A 112 -4.582 9.482 -10.470 1.00 0.00 O ATOM 1213 CB ARG A 112 -4.426 12.156 -9.379 1.00 0.00 C ATOM 1214 CG ARG A 112 -5.438 13.307 -9.294 1.00 0.00 C ATOM 1215 CD ARG A 112 -5.675 13.892 -7.889 1.00 0.00 C ATOM 1216 NE ARG A 112 -4.447 14.390 -7.243 1.00 0.00 N ATOM 1217 CZ ARG A 112 -3.820 15.537 -7.482 1.00 0.00 C ATOM 1218 NH1 ARG A 112 -4.223 16.377 -8.414 1.00 0.00 N1+ ATOM 1219 NH2 ARG A 112 -2.762 15.862 -6.772 1.00 0.00 N ATOM 0 H ARG A 112 -4.317 11.197 -6.533 1.00 0.00 H new ATOM 0 HA ARG A 112 -5.874 11.144 -8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.452 12.503 -9.034 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -4.307 11.854 -10.420 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.101 14.111 -9.949 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -6.392 12.956 -9.686 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -6.394 14.708 -7.961 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -6.124 13.126 -7.256 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.032 13.787 -6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -5.042 16.156 -8.981 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.716 17.249 -8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.426 15.235 -6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.278 16.741 -6.952 1.00 0.00 H new ATOM 1233 N ALA A 113 -5.590 8.616 -8.664 1.00 0.00 N ATOM 1234 CA ALA A 113 -5.641 7.238 -9.146 1.00 0.00 C ATOM 1235 C ALA A 113 -6.488 7.078 -10.420 1.00 0.00 C ATOM 1236 O ALA A 113 -7.506 7.747 -10.601 1.00 0.00 O ATOM 1237 CB ALA A 113 -6.144 6.356 -8.003 1.00 0.00 C ATOM 0 H ALA A 113 -6.035 8.739 -7.754 1.00 0.00 H new ATOM 0 HA ALA A 113 -4.639 6.927 -9.442 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.192 5.320 -8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -5.462 6.433 -7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -7.138 6.685 -7.699 1.00 0.00 H new ATOM 1243 N ARG A 114 -6.049 6.177 -11.297 1.00 0.00 N ATOM 1244 CA ARG A 114 -6.626 5.885 -12.615 1.00 0.00 C ATOM 1245 C ARG A 114 -7.181 4.460 -12.640 1.00 0.00 C ATOM 1246 O ARG A 114 -6.726 3.607 -11.879 1.00 0.00 O ATOM 1247 CB ARG A 114 -5.519 6.013 -13.669 1.00 0.00 C ATOM 1248 CG ARG A 114 -5.010 7.451 -13.861 1.00 0.00 C ATOM 1249 CD ARG A 114 -3.629 7.454 -14.526 1.00 0.00 C ATOM 1250 NE ARG A 114 -3.636 6.733 -15.814 1.00 0.00 N ATOM 1251 CZ ARG A 114 -3.702 7.245 -17.036 1.00 0.00 C ATOM 1252 NH1 ARG A 114 -3.739 8.543 -17.260 1.00 0.00 N ATOM 1253 NH2 ARG A 114 -3.739 6.430 -18.067 1.00 0.00 N1+ ATOM 0 H ARG A 114 -5.234 5.596 -11.099 1.00 0.00 H new ATOM 0 HA ARG A 114 -7.436 6.584 -12.824 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -4.682 5.376 -13.383 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.893 5.639 -14.622 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -5.715 8.013 -14.474 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -4.955 7.954 -12.896 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -3.306 8.483 -14.688 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -2.903 6.994 -13.856 1.00 0.00 H new ATOM 0 HE ARG A 114 -3.584 5.716 -15.757 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -3.717 9.196 -16.477 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.790 8.894 -18.216 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.717 5.421 -17.920 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -3.790 6.807 -19.013 1.00 0.00 H new ATOM 1267 N ARG A 115 -8.110 4.160 -13.555 1.00 0.00 N ATOM 1268 CA ARG A 115 -8.742 2.828 -13.666 1.00 0.00 C ATOM 1269 C ARG A 115 -7.719 1.681 -13.788 1.00 0.00 C ATOM 1270 O ARG A 115 -7.937 0.601 -13.236 1.00 0.00 O ATOM 1271 CB ARG A 115 -9.749 2.804 -14.829 1.00 0.00 C ATOM 1272 CG ARG A 115 -10.840 3.880 -14.667 1.00 0.00 C ATOM 1273 CD ARG A 115 -11.998 3.733 -15.663 1.00 0.00 C ATOM 1274 NE ARG A 115 -11.553 3.752 -17.068 1.00 0.00 N ATOM 1275 CZ ARG A 115 -11.337 4.822 -17.826 1.00 0.00 C ATOM 1276 NH1 ARG A 115 -11.462 6.051 -17.374 1.00 0.00 N ATOM 1277 NH2 ARG A 115 -10.981 4.664 -19.084 1.00 0.00 N1+ ATOM 0 H ARG A 115 -8.450 4.831 -14.244 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.278 2.654 -12.733 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.221 2.961 -15.770 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.215 1.820 -14.885 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -11.236 3.835 -13.652 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -10.389 4.865 -14.789 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -12.523 2.798 -15.466 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -12.713 4.540 -15.503 1.00 0.00 H new ATOM 0 HE ARG A 115 -11.393 2.845 -17.506 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.735 6.213 -16.405 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -11.286 6.842 -17.993 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -10.873 3.726 -19.470 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -10.813 5.480 -19.673 1.00 0.00 H new ATOM 1291 N ASN A 116 -6.570 1.938 -14.426 1.00 0.00 N ATOM 1292 CA ASN A 116 -5.459 0.988 -14.572 1.00 0.00 C ATOM 1293 C ASN A 116 -4.665 0.683 -13.282 1.00 0.00 C ATOM 1294 O ASN A 116 -3.954 -0.322 -13.241 1.00 0.00 O ATOM 1295 CB ASN A 116 -4.515 1.495 -15.674 1.00 0.00 C ATOM 1296 CG ASN A 116 -3.738 2.757 -15.304 1.00 0.00 C ATOM 1297 OD1 ASN A 116 -4.138 3.868 -15.632 1.00 0.00 O ATOM 1298 ND2 ASN A 116 -2.621 2.635 -14.611 1.00 0.00 N ATOM 0 H ASN A 116 -6.382 2.838 -14.867 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.914 0.034 -14.838 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -3.806 0.705 -15.921 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.098 1.692 -16.574 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -2.091 3.466 -14.348 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -2.289 1.710 -14.338 1.00 0.00 H new ATOM 1305 N ASP A 117 -4.745 1.524 -12.242 1.00 0.00 N ATOM 1306 CA ASP A 117 -4.040 1.290 -10.969 1.00 0.00 C ATOM 1307 C ASP A 117 -4.689 0.160 -10.148 1.00 0.00 C ATOM 1308 O ASP A 117 -4.004 -0.499 -9.366 1.00 0.00 O ATOM 1309 CB ASP A 117 -3.975 2.582 -10.132 1.00 0.00 C ATOM 1310 CG ASP A 117 -3.129 3.702 -10.761 1.00 0.00 C ATOM 1311 OD1 ASP A 117 -2.003 3.436 -11.243 1.00 0.00 O1- ATOM 1312 OD2 ASP A 117 -3.583 4.870 -10.732 1.00 0.00 O ATOM 0 H ASP A 117 -5.296 2.382 -12.256 1.00 0.00 H new ATOM 0 HA ASP A 117 -3.026 0.978 -11.220 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.989 2.952 -9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -3.569 2.344 -9.149 1.00 0.00 H new ATOM 1317 N SER A 118 -5.986 -0.097 -10.344 1.00 0.00 N ATOM 1318 CA SER A 118 -6.750 -1.154 -9.660 1.00 0.00 C ATOM 1319 C SER A 118 -6.070 -2.534 -9.742 1.00 0.00 C ATOM 1320 O SER A 118 -5.538 -2.915 -10.790 1.00 0.00 O ATOM 1321 CB SER A 118 -8.166 -1.270 -10.249 1.00 0.00 C ATOM 1322 OG SER A 118 -8.836 -0.017 -10.310 1.00 0.00 O ATOM 0 H SER A 118 -6.553 0.438 -11.001 1.00 0.00 H new ATOM 0 HA SER A 118 -6.796 -0.859 -8.612 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.105 -1.695 -11.251 1.00 0.00 H new ATOM 0 HB3 SER A 118 -8.752 -1.962 -9.644 1.00 0.00 H new ATOM 0 HG SER A 118 -8.701 0.384 -11.194 1.00 0.00 H new ATOM 1328 N GLY A 119 -6.092 -3.301 -8.646 1.00 0.00 N ATOM 1329 CA GLY A 119 -5.416 -4.600 -8.530 1.00 0.00 C ATOM 1330 C GLY A 119 -5.015 -4.939 -7.095 1.00 0.00 C ATOM 1331 O GLY A 119 -5.484 -4.300 -6.154 1.00 0.00 O ATOM 0 H GLY A 119 -6.590 -3.031 -7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -6.074 -5.381 -8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -4.526 -4.597 -9.159 1.00 0.00 H new ATOM 1335 N THR A 120 -4.162 -5.954 -6.928 1.00 0.00 N ATOM 1336 CA THR A 120 -3.666 -6.434 -5.624 1.00 0.00 C ATOM 1337 C THR A 120 -2.358 -5.736 -5.270 1.00 0.00 C ATOM 1338 O THR A 120 -1.525 -5.488 -6.139 1.00 0.00 O ATOM 1339 CB THR A 120 -3.453 -7.952 -5.631 1.00 0.00 C ATOM 1340 OG1 THR A 120 -4.476 -8.601 -6.358 1.00 0.00 O ATOM 1341 CG2 THR A 120 -3.426 -8.551 -4.225 1.00 0.00 C ATOM 0 H THR A 120 -3.784 -6.482 -7.714 1.00 0.00 H new ATOM 0 HA THR A 120 -4.421 -6.197 -4.874 1.00 0.00 H new ATOM 0 HB THR A 120 -2.483 -8.112 -6.101 1.00 0.00 H new ATOM 0 HG1 THR A 120 -4.319 -9.568 -6.351 1.00 0.00 H new ATOM 0 HG21 THR A 120 -3.272 -9.628 -4.291 1.00 0.00 H new ATOM 0 HG22 THR A 120 -2.613 -8.103 -3.654 1.00 0.00 H new ATOM 0 HG23 THR A 120 -4.374 -8.350 -3.726 1.00 0.00 H new ATOM 1349 N TYR A 121 -2.167 -5.451 -3.986 1.00 0.00 N ATOM 1350 CA TYR A 121 -1.014 -4.743 -3.425 1.00 0.00 C ATOM 1351 C TYR A 121 -0.534 -5.387 -2.110 1.00 0.00 C ATOM 1352 O TYR A 121 -1.313 -6.027 -1.393 1.00 0.00 O ATOM 1353 CB TYR A 121 -1.391 -3.273 -3.155 1.00 0.00 C ATOM 1354 CG TYR A 121 -1.545 -2.377 -4.374 1.00 0.00 C ATOM 1355 CD1 TYR A 121 -2.701 -2.446 -5.176 1.00 0.00 C ATOM 1356 CD2 TYR A 121 -0.551 -1.422 -4.670 1.00 0.00 C ATOM 1357 CE1 TYR A 121 -2.854 -1.589 -6.282 1.00 0.00 C ATOM 1358 CE2 TYR A 121 -0.726 -0.522 -5.737 1.00 0.00 C ATOM 1359 CZ TYR A 121 -1.877 -0.602 -6.548 1.00 0.00 C ATOM 1360 OH TYR A 121 -2.027 0.270 -7.580 1.00 0.00 O ATOM 0 H TYR A 121 -2.843 -5.719 -3.271 1.00 0.00 H new ATOM 0 HA TYR A 121 -0.203 -4.802 -4.151 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -2.329 -3.258 -2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.630 -2.839 -2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -3.475 -3.161 -4.941 1.00 0.00 H new ATOM 0 HD2 TYR A 121 0.349 -1.381 -4.075 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -3.716 -1.685 -6.926 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.022 0.231 -5.935 1.00 0.00 H new ATOM 0 HH TYR A 121 -2.734 -0.050 -8.178 1.00 0.00 H new ATOM 1370 N LEU A 122 0.739 -5.169 -1.762 1.00 0.00 N ATOM 1371 CA LEU A 122 1.370 -5.650 -0.526 1.00 0.00 C ATOM 1372 C LEU A 122 2.675 -4.913 -0.212 1.00 0.00 C ATOM 1373 O LEU A 122 3.327 -4.372 -1.104 1.00 0.00 O ATOM 1374 CB LEU A 122 1.566 -7.185 -0.538 1.00 0.00 C ATOM 1375 CG LEU A 122 2.627 -7.772 -1.499 1.00 0.00 C ATOM 1376 CD1 LEU A 122 2.809 -9.263 -1.176 1.00 0.00 C ATOM 1377 CD2 LEU A 122 2.241 -7.636 -2.981 1.00 0.00 C ATOM 0 H LEU A 122 1.379 -4.636 -2.351 1.00 0.00 H new ATOM 0 HA LEU A 122 0.679 -5.420 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.823 -7.497 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.607 -7.643 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 122 3.547 -7.207 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.555 -9.692 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.142 -9.374 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.860 -9.783 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 122 3.026 -8.067 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 122 1.304 -8.163 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 122 2.118 -6.582 -3.230 1.00 0.00 H new ATOM 1389 N CYS A 123 3.069 -4.918 1.060 1.00 0.00 N ATOM 1390 CA CYS A 123 4.361 -4.400 1.520 1.00 0.00 C ATOM 1391 C CYS A 123 5.377 -5.529 1.762 1.00 0.00 C ATOM 1392 O CYS A 123 4.998 -6.688 1.957 1.00 0.00 O ATOM 1393 CB CYS A 123 4.174 -3.639 2.834 1.00 0.00 C ATOM 1394 SG CYS A 123 2.750 -2.536 2.995 1.00 0.00 S ATOM 0 H CYS A 123 2.491 -5.288 1.815 1.00 0.00 H new ATOM 0 HA CYS A 123 4.743 -3.743 0.738 1.00 0.00 H new ATOM 0 HB2 CYS A 123 4.117 -4.373 3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 123 5.073 -3.047 3.006 1.00 0.00 H new ATOM 1399 N GLY A 124 6.663 -5.174 1.839 1.00 0.00 N ATOM 1400 CA GLY A 124 7.743 -6.063 2.281 1.00 0.00 C ATOM 1401 C GLY A 124 8.823 -5.315 3.057 1.00 0.00 C ATOM 1402 O GLY A 124 9.319 -4.299 2.572 1.00 0.00 O ATOM 0 H GLY A 124 6.990 -4.240 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 124 7.328 -6.852 2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 124 8.191 -6.547 1.413 1.00 0.00 H new ATOM 1406 N ALA A 125 9.215 -5.807 4.235 1.00 0.00 N ATOM 1407 CA ALA A 125 10.268 -5.197 5.059 1.00 0.00 C ATOM 1408 C ALA A 125 11.528 -6.070 5.135 1.00 0.00 C ATOM 1409 O ALA A 125 11.439 -7.293 5.186 1.00 0.00 O ATOM 1410 CB ALA A 125 9.721 -4.902 6.460 1.00 0.00 C ATOM 0 H ALA A 125 8.809 -6.646 4.649 1.00 0.00 H new ATOM 0 HA ALA A 125 10.566 -4.263 4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.504 -4.450 7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.878 -4.215 6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 125 9.391 -5.831 6.925 1.00 0.00 H new ATOM 1416 N ILE A 126 12.705 -5.443 5.184 1.00 0.00 N ATOM 1417 CA ILE A 126 14.019 -6.106 5.272 1.00 0.00 C ATOM 1418 C ILE A 126 14.947 -5.317 6.205 1.00 0.00 C ATOM 1419 O ILE A 126 15.009 -4.089 6.128 1.00 0.00 O ATOM 1420 CB ILE A 126 14.601 -6.301 3.851 1.00 0.00 C ATOM 1421 CG1 ILE A 126 15.871 -7.172 3.892 1.00 0.00 C ATOM 1422 CG2 ILE A 126 14.886 -4.973 3.127 1.00 0.00 C ATOM 1423 CD1 ILE A 126 16.389 -7.607 2.516 1.00 0.00 C ATOM 0 H ILE A 126 12.778 -4.426 5.163 1.00 0.00 H new ATOM 0 HA ILE A 126 13.913 -7.099 5.710 1.00 0.00 H new ATOM 0 HB ILE A 126 13.832 -6.815 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 126 16.659 -6.620 4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 126 15.667 -8.062 4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 126 15.292 -5.178 2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 126 13.960 -4.406 3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 126 15.608 -4.393 3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 126 17.285 -8.216 2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 126 15.622 -8.190 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 126 16.629 -6.725 1.922 1.00 0.00 H new ATOM 1435 N SER A 127 15.640 -5.991 7.119 1.00 0.00 N ATOM 1436 CA SER A 127 16.509 -5.357 8.122 1.00 0.00 C ATOM 1437 C SER A 127 17.806 -4.768 7.536 1.00 0.00 C ATOM 1438 O SER A 127 18.232 -5.113 6.430 1.00 0.00 O ATOM 1439 CB SER A 127 16.811 -6.329 9.271 1.00 0.00 C ATOM 1440 OG SER A 127 17.363 -7.554 8.817 1.00 0.00 O ATOM 0 H SER A 127 15.617 -7.008 7.190 1.00 0.00 H new ATOM 0 HA SER A 127 15.950 -4.507 8.513 1.00 0.00 H new ATOM 0 HB2 SER A 127 17.504 -5.858 9.968 1.00 0.00 H new ATOM 0 HB3 SER A 127 15.893 -6.531 9.823 1.00 0.00 H new ATOM 0 HG SER A 127 17.539 -8.138 9.584 1.00 0.00 H new ATOM 1446 N LEU A 128 18.452 -3.862 8.289 1.00 0.00 N ATOM 1447 CA LEU A 128 19.731 -3.232 7.923 1.00 0.00 C ATOM 1448 C LEU A 128 20.906 -4.208 7.685 1.00 0.00 C ATOM 1449 O LEU A 128 21.930 -3.812 7.127 1.00 0.00 O ATOM 1450 CB LEU A 128 20.085 -2.147 8.960 1.00 0.00 C ATOM 1451 CG LEU A 128 20.784 -2.616 10.257 1.00 0.00 C ATOM 1452 CD1 LEU A 128 21.216 -1.372 11.040 1.00 0.00 C ATOM 1453 CD2 LEU A 128 19.909 -3.502 11.152 1.00 0.00 C ATOM 0 H LEU A 128 18.092 -3.541 9.188 1.00 0.00 H new ATOM 0 HA LEU A 128 19.577 -2.778 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 128 20.728 -1.412 8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 128 19.166 -1.632 9.238 1.00 0.00 H new ATOM 0 HG LEU A 128 21.634 -3.233 9.964 1.00 0.00 H new ATOM 0 HD11 LEU A 128 21.713 -1.676 11.961 1.00 0.00 H new ATOM 0 HD12 LEU A 128 21.904 -0.782 10.435 1.00 0.00 H new ATOM 0 HD13 LEU A 128 20.339 -0.772 11.282 1.00 0.00 H new ATOM 0 HD21 LEU A 128 20.471 -3.789 12.041 1.00 0.00 H new ATOM 0 HD22 LEU A 128 19.017 -2.951 11.449 1.00 0.00 H new ATOM 0 HD23 LEU A 128 19.616 -4.397 10.603 1.00 0.00 H new ATOM 1465 N ALA A 129 20.786 -5.467 8.120 1.00 0.00 N ATOM 1466 CA ALA A 129 21.817 -6.498 8.003 1.00 0.00 C ATOM 1467 C ALA A 129 22.016 -6.966 6.537 1.00 0.00 C ATOM 1468 O ALA A 129 21.020 -7.243 5.858 1.00 0.00 O ATOM 1469 CB ALA A 129 21.408 -7.665 8.915 1.00 0.00 C ATOM 0 H ALA A 129 19.940 -5.805 8.578 1.00 0.00 H new ATOM 0 HA ALA A 129 22.780 -6.091 8.313 1.00 0.00 H new ATOM 0 HB1 ALA A 129 22.156 -8.455 8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 129 21.335 -7.314 9.944 1.00 0.00 H new ATOM 0 HB3 ALA A 129 20.442 -8.055 8.596 1.00 0.00 H new ATOM 1475 N PRO A 130 23.264 -7.143 6.047 1.00 0.00 N ATOM 1476 CA PRO A 130 23.540 -7.730 4.730 1.00 0.00 C ATOM 1477 C PRO A 130 22.947 -9.136 4.533 1.00 0.00 C ATOM 1478 O PRO A 130 22.636 -9.523 3.408 1.00 0.00 O ATOM 1479 CB PRO A 130 25.068 -7.776 4.612 1.00 0.00 C ATOM 1480 CG PRO A 130 25.535 -6.658 5.541 1.00 0.00 C ATOM 1481 CD PRO A 130 24.508 -6.707 6.669 1.00 0.00 C ATOM 0 HA PRO A 130 23.068 -7.123 3.958 1.00 0.00 H new ATOM 0 HB2 PRO A 130 25.465 -8.744 4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 130 25.396 -7.608 3.586 1.00 0.00 H new ATOM 0 HG2 PRO A 130 26.547 -6.832 5.907 1.00 0.00 H new ATOM 0 HG3 PRO A 130 25.539 -5.690 5.039 1.00 0.00 H new ATOM 0 HD2 PRO A 130 24.818 -7.399 7.452 1.00 0.00 H new ATOM 0 HD3 PRO A 130 24.391 -5.729 7.136 1.00 0.00 H new ATOM 1489 N LYS A 131 22.778 -9.898 5.621 1.00 0.00 N ATOM 1490 CA LYS A 131 22.268 -11.279 5.624 1.00 0.00 C ATOM 1491 C LYS A 131 20.718 -11.380 5.624 1.00 0.00 C ATOM 1492 O LYS A 131 20.177 -12.486 5.681 1.00 0.00 O ATOM 1493 CB LYS A 131 22.929 -11.979 6.836 1.00 0.00 C ATOM 1494 CG LYS A 131 22.824 -13.516 6.911 1.00 0.00 C ATOM 1495 CD LYS A 131 23.310 -14.278 5.666 1.00 0.00 C ATOM 1496 CE LYS A 131 24.776 -13.966 5.332 1.00 0.00 C ATOM 1497 NZ LYS A 131 25.261 -14.762 4.174 1.00 0.00 N1+ ATOM 0 H LYS A 131 23.000 -9.560 6.557 1.00 0.00 H new ATOM 0 HA LYS A 131 22.535 -11.780 4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.986 -11.713 6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 131 22.490 -11.566 7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 131 23.397 -13.860 7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.783 -13.782 7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.196 -15.350 5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 131 22.682 -14.018 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 131 24.880 -12.904 5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 131 25.399 -14.174 6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 26.254 -14.523 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 25.185 -15.776 4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 24.683 -14.545 3.337 1.00 0.00 H new ATOM 1511 N ALA A 132 19.998 -10.252 5.586 1.00 0.00 N ATOM 1512 CA ALA A 132 18.537 -10.167 5.727 1.00 0.00 C ATOM 1513 C ALA A 132 17.727 -10.797 4.568 1.00 0.00 C ATOM 1514 O ALA A 132 18.224 -10.974 3.453 1.00 0.00 O ATOM 1515 CB ALA A 132 18.180 -8.688 5.905 1.00 0.00 C ATOM 0 H ALA A 132 20.432 -9.339 5.451 1.00 0.00 H new ATOM 0 HA ALA A 132 18.254 -10.763 6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 132 17.100 -8.585 6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 132 18.673 -8.299 6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 132 18.513 -8.126 5.032 1.00 0.00 H new ATOM 1521 N GLN A 133 16.446 -11.083 4.831 1.00 0.00 N ATOM 1522 CA GLN A 133 15.423 -11.502 3.866 1.00 0.00 C ATOM 1523 C GLN A 133 14.187 -10.596 4.021 1.00 0.00 C ATOM 1524 O GLN A 133 13.980 -9.980 5.069 1.00 0.00 O ATOM 1525 CB GLN A 133 14.998 -12.969 4.102 1.00 0.00 C ATOM 1526 CG GLN A 133 16.044 -14.032 3.721 1.00 0.00 C ATOM 1527 CD GLN A 133 17.240 -14.101 4.673 1.00 0.00 C ATOM 1528 OE1 GLN A 133 17.113 -14.071 5.893 1.00 0.00 O ATOM 1529 NE2 GLN A 133 18.450 -14.175 4.162 1.00 0.00 N ATOM 0 H GLN A 133 16.074 -11.025 5.779 1.00 0.00 H new ATOM 0 HA GLN A 133 15.842 -11.419 2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 133 14.749 -13.091 5.156 1.00 0.00 H new ATOM 0 HB3 GLN A 133 14.087 -13.161 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 133 15.560 -15.008 3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 133 16.406 -13.825 2.714 1.00 0.00 H new ATOM 0 HE21 GLN A 133 18.576 -14.201 3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 133 19.263 -14.206 4.778 1.00 0.00 H new ATOM 1538 N ILE A 134 13.343 -10.528 2.986 1.00 0.00 N ATOM 1539 CA ILE A 134 12.107 -9.724 2.995 1.00 0.00 C ATOM 1540 C ILE A 134 10.965 -10.494 3.683 1.00 0.00 C ATOM 1541 O ILE A 134 10.566 -11.565 3.217 1.00 0.00 O ATOM 1542 CB ILE A 134 11.697 -9.279 1.563 1.00 0.00 C ATOM 1543 CG1 ILE A 134 12.863 -8.613 0.790 1.00 0.00 C ATOM 1544 CG2 ILE A 134 10.499 -8.311 1.652 1.00 0.00 C ATOM 1545 CD1 ILE A 134 12.534 -8.238 -0.660 1.00 0.00 C ATOM 0 H ILE A 134 13.495 -11.031 2.112 1.00 0.00 H new ATOM 0 HA ILE A 134 12.306 -8.818 3.568 1.00 0.00 H new ATOM 0 HB ILE A 134 11.419 -10.174 1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 134 13.169 -7.713 1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 134 13.717 -9.290 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 134 10.209 -7.997 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 134 9.659 -8.814 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 134 10.781 -7.436 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 134 13.407 -7.778 -1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 134 12.259 -9.135 -1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 134 11.702 -7.534 -0.674 1.00 0.00 H new ATOM 1557 N LYS A 135 10.405 -9.938 4.761 1.00 0.00 N ATOM 1558 CA LYS A 135 9.161 -10.412 5.391 1.00 0.00 C ATOM 1559 C LYS A 135 7.927 -9.698 4.799 1.00 0.00 C ATOM 1560 O LYS A 135 7.985 -8.508 4.486 1.00 0.00 O ATOM 1561 CB LYS A 135 9.228 -10.284 6.928 1.00 0.00 C ATOM 1562 CG LYS A 135 9.592 -8.886 7.460 1.00 0.00 C ATOM 1563 CD LYS A 135 9.064 -8.636 8.884 1.00 0.00 C ATOM 1564 CE LYS A 135 9.681 -9.570 9.934 1.00 0.00 C ATOM 1565 NZ LYS A 135 9.015 -9.419 11.258 1.00 0.00 N1+ ATOM 0 H LYS A 135 10.809 -9.129 5.233 1.00 0.00 H new ATOM 0 HA LYS A 135 9.053 -11.473 5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 135 8.261 -10.571 7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 135 9.960 -10.999 7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 135 10.676 -8.770 7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 135 9.186 -8.129 6.788 1.00 0.00 H new ATOM 0 HD2 LYS A 135 9.268 -7.602 9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 135 7.981 -8.760 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 135 9.595 -10.603 9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 135 10.745 -9.354 10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 9.456 -10.064 11.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 9.118 -8.438 11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 8.005 -9.649 11.167 1.00 0.00 H new ATOM 1579 N GLU A 136 6.811 -10.418 4.658 1.00 0.00 N ATOM 1580 CA GLU A 136 5.571 -9.982 3.992 1.00 0.00 C ATOM 1581 C GLU A 136 4.338 -10.473 4.779 1.00 0.00 C ATOM 1582 O GLU A 136 4.428 -11.425 5.558 1.00 0.00 O ATOM 1583 CB GLU A 136 5.512 -10.525 2.551 1.00 0.00 C ATOM 1584 CG GLU A 136 6.648 -10.024 1.645 1.00 0.00 C ATOM 1585 CD GLU A 136 6.547 -10.607 0.226 1.00 0.00 C ATOM 1586 OE1 GLU A 136 6.586 -11.852 0.073 1.00 0.00 O1- ATOM 1587 OE2 GLU A 136 6.466 -9.827 -0.751 1.00 0.00 O ATOM 0 H GLU A 136 6.739 -11.368 5.022 1.00 0.00 H new ATOM 0 HA GLU A 136 5.566 -8.892 3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.541 -11.614 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 136 4.557 -10.244 2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 136 6.619 -8.936 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.609 -10.297 2.082 1.00 0.00 H new ATOM 1594 N SER A 137 3.180 -9.836 4.590 1.00 0.00 N ATOM 1595 CA SER A 137 1.917 -10.188 5.269 1.00 0.00 C ATOM 1596 C SER A 137 0.698 -10.178 4.315 1.00 0.00 C ATOM 1597 O SER A 137 0.847 -10.193 3.088 1.00 0.00 O ATOM 1598 CB SER A 137 1.723 -9.282 6.500 1.00 0.00 C ATOM 1599 OG SER A 137 0.765 -9.848 7.386 1.00 0.00 O ATOM 0 H SER A 137 3.085 -9.047 3.951 1.00 0.00 H new ATOM 0 HA SER A 137 1.989 -11.220 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 137 2.674 -9.152 7.017 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.394 -8.292 6.183 1.00 0.00 H new ATOM 0 HG SER A 137 0.653 -9.263 8.164 1.00 0.00 H new ATOM 1605 N LEU A 138 -0.515 -10.212 4.878 1.00 0.00 N ATOM 1606 CA LEU A 138 -1.789 -10.408 4.181 1.00 0.00 C ATOM 1607 C LEU A 138 -2.089 -9.280 3.178 1.00 0.00 C ATOM 1608 O LEU A 138 -2.127 -8.104 3.540 1.00 0.00 O ATOM 1609 CB LEU A 138 -2.911 -10.531 5.231 1.00 0.00 C ATOM 1610 CG LEU A 138 -2.786 -11.718 6.211 1.00 0.00 C ATOM 1611 CD1 LEU A 138 -3.935 -11.660 7.228 1.00 0.00 C ATOM 1612 CD2 LEU A 138 -2.808 -13.077 5.492 1.00 0.00 C ATOM 0 H LEU A 138 -0.640 -10.098 5.884 1.00 0.00 H new ATOM 0 HA LEU A 138 -1.727 -11.324 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -2.944 -9.608 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -3.864 -10.614 4.709 1.00 0.00 H new ATOM 0 HG LEU A 138 -1.823 -11.630 6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -3.850 -12.497 7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.883 -10.723 7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -4.889 -11.719 6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -2.717 -13.878 6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -3.747 -13.186 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -1.975 -13.131 4.791 1.00 0.00 H new ATOM 1624 N ARG A 139 -2.328 -9.662 1.916 1.00 0.00 N ATOM 1625 CA ARG A 139 -2.513 -8.765 0.766 1.00 0.00 C ATOM 1626 C ARG A 139 -3.733 -7.838 0.901 1.00 0.00 C ATOM 1627 O ARG A 139 -4.748 -8.192 1.508 1.00 0.00 O ATOM 1628 CB ARG A 139 -2.632 -9.605 -0.518 1.00 0.00 C ATOM 1629 CG ARG A 139 -1.305 -10.287 -0.897 1.00 0.00 C ATOM 1630 CD ARG A 139 -1.456 -11.289 -2.049 1.00 0.00 C ATOM 1631 NE ARG A 139 -2.274 -12.461 -1.674 1.00 0.00 N ATOM 1632 CZ ARG A 139 -1.879 -13.527 -0.985 1.00 0.00 C ATOM 1633 NH1 ARG A 139 -0.651 -13.651 -0.525 1.00 0.00 N1+ ATOM 1634 NH2 ARG A 139 -2.732 -14.499 -0.745 1.00 0.00 N ATOM 0 H ARG A 139 -2.401 -10.646 1.657 1.00 0.00 H new ATOM 0 HA ARG A 139 -1.639 -8.115 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -3.402 -10.364 -0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -2.956 -8.965 -1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -0.578 -9.525 -1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -0.905 -10.803 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -1.912 -10.790 -2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -0.469 -11.625 -2.366 1.00 0.00 H new ATOM 0 HE ARG A 139 -3.248 -12.451 -1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 139 0.034 -12.914 -0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -0.385 -14.484 -0.000 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -3.691 -14.432 -1.087 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -2.435 -15.319 -0.217 1.00 0.00 H new ATOM 1648 N ALA A 140 -3.638 -6.670 0.267 1.00 0.00 N ATOM 1649 CA ALA A 140 -4.696 -5.667 0.117 1.00 0.00 C ATOM 1650 C ALA A 140 -5.080 -5.491 -1.369 1.00 0.00 C ATOM 1651 O ALA A 140 -4.355 -5.945 -2.253 1.00 0.00 O ATOM 1652 CB ALA A 140 -4.169 -4.360 0.729 1.00 0.00 C ATOM 0 H ALA A 140 -2.770 -6.380 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.605 -5.979 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -4.929 -3.583 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -3.937 -4.519 1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -3.267 -4.049 0.202 1.00 0.00 H new ATOM 1658 N GLU A 141 -6.203 -4.833 -1.660 1.00 0.00 N ATOM 1659 CA GLU A 141 -6.680 -4.566 -3.025 1.00 0.00 C ATOM 1660 C GLU A 141 -7.133 -3.111 -3.201 1.00 0.00 C ATOM 1661 O GLU A 141 -7.698 -2.513 -2.285 1.00 0.00 O ATOM 1662 CB GLU A 141 -7.847 -5.503 -3.385 1.00 0.00 C ATOM 1663 CG GLU A 141 -7.460 -6.987 -3.370 1.00 0.00 C ATOM 1664 CD GLU A 141 -8.609 -7.862 -3.895 1.00 0.00 C ATOM 1665 OE1 GLU A 141 -8.723 -8.037 -5.131 1.00 0.00 O ATOM 1666 OE2 GLU A 141 -9.399 -8.392 -3.078 1.00 0.00 O1- ATOM 0 H GLU A 141 -6.823 -4.461 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 141 -5.839 -4.749 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -8.664 -5.341 -2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -8.221 -5.242 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -6.572 -7.141 -3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.203 -7.289 -2.355 1.00 0.00 H new ATOM 1673 N LEU A 142 -6.923 -2.560 -4.400 1.00 0.00 N ATOM 1674 CA LEU A 142 -7.396 -1.245 -4.843 1.00 0.00 C ATOM 1675 C LEU A 142 -8.425 -1.404 -5.968 1.00 0.00 C ATOM 1676 O LEU A 142 -8.193 -2.156 -6.918 1.00 0.00 O ATOM 1677 CB LEU A 142 -6.187 -0.433 -5.356 1.00 0.00 C ATOM 1678 CG LEU A 142 -6.504 1.004 -5.825 1.00 0.00 C ATOM 1679 CD1 LEU A 142 -7.032 1.891 -4.688 1.00 0.00 C ATOM 1680 CD2 LEU A 142 -5.240 1.631 -6.426 1.00 0.00 C ATOM 0 H LEU A 142 -6.392 -3.043 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 142 -7.870 -0.727 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.442 -0.382 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -5.732 -0.975 -6.185 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.292 0.940 -6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -7.239 2.890 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -7.949 1.460 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -6.284 1.954 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -5.460 2.646 -6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -4.454 1.659 -5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -4.907 1.035 -7.276 1.00 0.00 H new ATOM 1692 N ARG A 143 -9.508 -0.627 -5.903 1.00 0.00 N ATOM 1693 CA ARG A 143 -10.498 -0.456 -6.969 1.00 0.00 C ATOM 1694 C ARG A 143 -10.701 1.037 -7.251 1.00 0.00 C ATOM 1695 O ARG A 143 -11.114 1.793 -6.370 1.00 0.00 O ATOM 1696 CB ARG A 143 -11.810 -1.138 -6.547 1.00 0.00 C ATOM 1697 CG ARG A 143 -12.881 -1.101 -7.652 1.00 0.00 C ATOM 1698 CD ARG A 143 -14.211 -1.727 -7.204 1.00 0.00 C ATOM 1699 NE ARG A 143 -14.080 -3.154 -6.847 1.00 0.00 N ATOM 1700 CZ ARG A 143 -14.025 -4.188 -7.683 1.00 0.00 C ATOM 1701 NH1 ARG A 143 -14.077 -4.039 -8.991 1.00 0.00 N ATOM 1702 NH2 ARG A 143 -13.917 -5.407 -7.202 1.00 0.00 N1+ ATOM 0 H ARG A 143 -9.728 -0.077 -5.073 1.00 0.00 H new ATOM 0 HA ARG A 143 -10.149 -0.922 -7.891 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -11.606 -2.175 -6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -12.198 -0.648 -5.654 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -13.053 -0.067 -7.953 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -12.511 -1.631 -8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -14.596 -1.176 -6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -14.944 -1.623 -8.004 1.00 0.00 H new ATOM 0 HE ARG A 143 -14.026 -3.371 -5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -14.162 -3.106 -9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -14.032 -4.856 -9.600 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -13.876 -5.556 -6.194 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -13.874 -6.204 -7.837 1.00 0.00 H new ATOM 1716 N VAL A 144 -10.431 1.453 -8.483 1.00 0.00 N ATOM 1717 CA VAL A 144 -10.697 2.808 -8.988 1.00 0.00 C ATOM 1718 C VAL A 144 -11.932 2.762 -9.895 1.00 0.00 C ATOM 1719 O VAL A 144 -11.896 2.140 -10.959 1.00 0.00 O ATOM 1720 CB VAL A 144 -9.475 3.385 -9.735 1.00 0.00 C ATOM 1721 CG1 VAL A 144 -9.760 4.833 -10.155 1.00 0.00 C ATOM 1722 CG2 VAL A 144 -8.203 3.353 -8.872 1.00 0.00 C ATOM 0 H VAL A 144 -10.009 0.844 -9.184 1.00 0.00 H new ATOM 0 HA VAL A 144 -10.889 3.473 -8.146 1.00 0.00 H new ATOM 0 HB VAL A 144 -9.305 2.761 -10.612 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -8.895 5.236 -10.682 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.629 4.857 -10.813 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -9.959 5.436 -9.269 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -7.369 3.768 -9.438 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.360 3.945 -7.970 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -7.977 2.323 -8.595 1.00 0.00 H new ATOM 1732 N THR A 145 -13.024 3.404 -9.467 1.00 0.00 N ATOM 1733 CA THR A 145 -14.314 3.456 -10.175 1.00 0.00 C ATOM 1734 C THR A 145 -14.396 4.723 -11.019 1.00 0.00 C ATOM 1735 O THR A 145 -13.927 5.782 -10.606 1.00 0.00 O ATOM 1736 CB THR A 145 -15.481 3.355 -9.179 1.00 0.00 C ATOM 1737 OG1 THR A 145 -15.382 4.368 -8.204 1.00 0.00 O ATOM 1738 CG2 THR A 145 -15.483 2.003 -8.460 1.00 0.00 C ATOM 0 H THR A 145 -13.038 3.921 -8.588 1.00 0.00 H new ATOM 0 HA THR A 145 -14.388 2.602 -10.848 1.00 0.00 H new ATOM 0 HB THR A 145 -16.403 3.465 -9.751 1.00 0.00 H new ATOM 0 HG1 THR A 145 -16.132 4.293 -7.577 1.00 0.00 H new ATOM 0 HG21 THR A 145 -16.320 1.963 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 145 -15.582 1.202 -9.192 1.00 0.00 H new ATOM 0 HG23 THR A 145 -14.548 1.881 -7.912 1.00 0.00 H new ATOM 1746 N GLU A 146 -14.964 4.628 -12.220 1.00 0.00 N ATOM 1747 CA GLU A 146 -14.972 5.714 -13.205 1.00 0.00 C ATOM 1748 C GLU A 146 -15.713 6.967 -12.707 1.00 0.00 C ATOM 1749 O GLU A 146 -16.711 6.871 -11.983 1.00 0.00 O ATOM 1750 CB GLU A 146 -15.505 5.220 -14.563 1.00 0.00 C ATOM 1751 CG GLU A 146 -17.012 4.919 -14.643 1.00 0.00 C ATOM 1752 CD GLU A 146 -17.498 3.761 -13.751 1.00 0.00 C ATOM 1753 OE1 GLU A 146 -16.718 2.817 -13.475 1.00 0.00 O ATOM 1754 OE2 GLU A 146 -18.681 3.776 -13.337 1.00 0.00 O1- ATOM 0 H GLU A 146 -15.438 3.785 -12.543 1.00 0.00 H new ATOM 0 HA GLU A 146 -13.937 6.025 -13.348 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -15.267 5.971 -15.316 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -14.962 4.314 -14.833 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -17.561 5.821 -14.372 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -17.266 4.690 -15.678 1.00 0.00 H new ATOM 1761 N ARG A 147 -15.216 8.150 -13.086 1.00 0.00 N ATOM 1762 CA ARG A 147 -15.664 9.440 -12.548 1.00 0.00 C ATOM 1763 C ARG A 147 -17.001 9.859 -13.176 1.00 0.00 C ATOM 1764 O ARG A 147 -17.047 10.385 -14.293 1.00 0.00 O ATOM 1765 CB ARG A 147 -14.560 10.500 -12.729 1.00 0.00 C ATOM 1766 CG ARG A 147 -14.784 11.721 -11.827 1.00 0.00 C ATOM 1767 CD ARG A 147 -13.634 12.726 -11.976 1.00 0.00 C ATOM 1768 NE ARG A 147 -13.717 13.789 -10.957 1.00 0.00 N ATOM 1769 CZ ARG A 147 -13.179 13.772 -9.741 1.00 0.00 C ATOM 1770 NH1 ARG A 147 -12.465 12.760 -9.292 1.00 0.00 N1+ ATOM 1771 NH2 ARG A 147 -13.358 14.802 -8.942 1.00 0.00 N ATOM 0 H ARG A 147 -14.480 8.240 -13.786 1.00 0.00 H new ATOM 0 HA ARG A 147 -15.845 9.342 -11.478 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -13.590 10.056 -12.504 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -14.531 10.819 -13.771 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -15.728 12.201 -12.085 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -14.862 11.402 -10.788 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -12.680 12.206 -11.886 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -13.663 13.170 -12.971 1.00 0.00 H new ATOM 0 HE ARG A 147 -14.242 14.625 -11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -12.306 11.945 -9.885 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -12.071 12.791 -8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -13.905 15.603 -9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -12.950 14.799 -8.007 1.00 0.00 H new