USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 SER OG : rot 119:sc= 1.31 USER MOD Single : A 6 SER OG : rot -160:sc= 0.011 USER MOD Single : A 8 MET CE :methyl -178:sc= 0 (180deg=-0.00583) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl -156:sc= -0.224 (180deg=-0.769) USER MOD Single : A 20 CYS SG : rot 66:sc= -1.61! USER MOD Single : A 22 LYS NZ :NH3+ -155:sc= -1.2! (180deg=-2.52!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -3:sc= 0.539 USER MOD Single : A 29 ASN : amide:sc= -1.95! C(o=-2!,f=-11!) USER MOD Single : A 30 MET CE :methyl -161:sc= -0.0675 (180deg=-0.497) USER MOD Single : A 37 ASN : amide:sc=-0.00708 X(o=-0.0071,f=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.464 X(o=-0.46,f=0) USER MOD Single : A 86 THR OG1 : rot 56:sc= 0.47 USER MOD Single : A 87 SER OG : rot 53:sc= 1.24 USER MOD Single : A 88 MET CE :methyl -162:sc= -0.11 (180deg=-0.543) USER MOD Single : A 91 GLN : amide:sc= -0.0164 K(o=-0.016,f=-3.4!) USER MOD Single : A 93 ASN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 94 GLN : amide:sc= -1.63 K(o=-1.6,f=-0.6) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 102 THR OG1 : rot 152:sc= -0.911! USER MOD Single : A 103 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.017) USER MOD Single : A 104 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.3) USER MOD Single : A 105 ASN : amide:sc= 0.543 K(o=0.54,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -34.711 10.189 -7.801 1.00 5.46 N ATOM 16 CA ILE A 2 -34.524 9.098 -6.869 1.00 4.94 C ATOM 17 C ILE A 2 -33.971 9.598 -5.542 1.00 4.60 C ATOM 18 O ILE A 2 -32.913 10.230 -5.498 1.00 4.72 O ATOM 19 CB ILE A 2 -33.577 8.038 -7.470 1.00 4.98 C ATOM 20 CG1 ILE A 2 -34.163 7.496 -8.776 1.00 5.40 C ATOM 21 CG2 ILE A 2 -33.346 6.908 -6.482 1.00 4.52 C ATOM 22 CD1 ILE A 2 -33.248 6.537 -9.505 1.00 5.69 C ATOM 0 HA ILE A 2 -35.497 8.644 -6.683 1.00 4.94 H new ATOM 0 HB ILE A 2 -32.616 8.506 -7.683 1.00 4.98 H new ATOM 0 HG12 ILE A 2 -35.104 6.991 -8.559 1.00 5.40 H new ATOM 0 HG13 ILE A 2 -34.395 8.333 -9.434 1.00 5.40 H new ATOM 0 HG21 ILE A 2 -32.676 6.170 -6.923 1.00 4.52 H new ATOM 0 HG22 ILE A 2 -32.898 7.306 -5.572 1.00 4.52 H new ATOM 0 HG23 ILE A 2 -34.298 6.435 -6.241 1.00 4.52 H new ATOM 0 HD11 ILE A 2 -33.733 6.196 -10.420 1.00 5.69 H new ATOM 0 HD12 ILE A 2 -32.315 7.043 -9.755 1.00 5.69 H new ATOM 0 HD13 ILE A 2 -33.036 5.680 -8.866 1.00 5.69 H new ATOM 34 N ASP A 3 -34.705 9.335 -4.464 1.00 4.29 N ATOM 35 CA ASP A 3 -34.250 9.694 -3.128 1.00 4.07 C ATOM 36 C ASP A 3 -33.143 8.758 -2.691 1.00 3.76 C ATOM 37 O ASP A 3 -33.377 7.775 -1.988 1.00 3.50 O ATOM 38 CB ASP A 3 -35.383 9.645 -2.102 1.00 3.99 C ATOM 39 CG ASP A 3 -34.923 10.111 -0.733 1.00 4.25 C ATOM 40 OD1 ASP A 3 -34.722 11.328 -0.552 1.00 4.60 O ATOM 41 OD2 ASP A 3 -34.767 9.258 0.169 1.00 4.39 O ATOM 0 H ASP A 3 -35.615 8.875 -4.491 1.00 4.29 H new ATOM 0 HA ASP A 3 -33.882 10.719 -3.176 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -36.208 10.271 -2.441 1.00 3.99 H new ATOM 0 HB3 ASP A 3 -35.765 8.627 -2.030 1.00 3.99 H new ATOM 46 N GLU A 4 -31.939 9.054 -3.133 1.00 3.88 N ATOM 47 CA GLU A 4 -30.779 8.268 -2.768 1.00 3.72 C ATOM 48 C GLU A 4 -30.400 8.494 -1.311 1.00 3.64 C ATOM 49 O GLU A 4 -29.487 7.857 -0.794 1.00 3.58 O ATOM 50 CB GLU A 4 -29.620 8.584 -3.708 1.00 4.04 C ATOM 51 CG GLU A 4 -29.921 8.181 -5.140 1.00 4.23 C ATOM 52 CD GLU A 4 -28.780 8.458 -6.093 1.00 4.68 C ATOM 53 OE1 GLU A 4 -27.901 7.590 -6.235 1.00 4.67 O ATOM 54 OE2 GLU A 4 -28.766 9.540 -6.717 1.00 5.13 O ATOM 0 H GLU A 4 -31.737 9.840 -3.751 1.00 3.88 H new ATOM 0 HA GLU A 4 -31.023 7.211 -2.872 1.00 3.72 H new ATOM 0 HB2 GLU A 4 -29.404 9.652 -3.670 1.00 4.04 H new ATOM 0 HB3 GLU A 4 -28.725 8.065 -3.366 1.00 4.04 H new ATOM 0 HG2 GLU A 4 -30.159 7.118 -5.168 1.00 4.23 H new ATOM 0 HG3 GLU A 4 -30.808 8.715 -5.481 1.00 4.23 H new ATOM 61 N SER A 5 -31.120 9.388 -0.649 1.00 3.76 N ATOM 62 CA SER A 5 -30.920 9.644 0.767 1.00 3.85 C ATOM 63 C SER A 5 -31.080 8.352 1.566 1.00 3.61 C ATOM 64 O SER A 5 -30.320 8.080 2.494 1.00 3.72 O ATOM 65 CB SER A 5 -31.935 10.679 1.244 1.00 4.10 C ATOM 66 OG SER A 5 -32.146 11.673 0.253 1.00 4.17 O ATOM 0 H SER A 5 -31.854 9.952 -1.076 1.00 3.76 H new ATOM 0 HA SER A 5 -29.911 10.026 0.922 1.00 3.85 H new ATOM 0 HB2 SER A 5 -32.879 10.187 1.479 1.00 4.10 H new ATOM 0 HB3 SER A 5 -31.581 11.145 2.163 1.00 4.10 H new ATOM 0 HG SER A 5 -33.088 11.670 -0.018 1.00 4.17 H new ATOM 72 N SER A 6 -32.075 7.555 1.183 1.00 3.37 N ATOM 73 CA SER A 6 -32.339 6.286 1.848 1.00 3.21 C ATOM 74 C SER A 6 -31.195 5.290 1.644 1.00 3.07 C ATOM 75 O SER A 6 -30.654 4.745 2.613 1.00 3.14 O ATOM 76 CB SER A 6 -33.650 5.701 1.326 1.00 3.12 C ATOM 77 OG SER A 6 -33.694 5.745 -0.086 1.00 3.42 O ATOM 0 H SER A 6 -32.711 7.768 0.415 1.00 3.37 H new ATOM 0 HA SER A 6 -32.420 6.473 2.919 1.00 3.21 H new ATOM 0 HB2 SER A 6 -33.754 4.670 1.665 1.00 3.12 H new ATOM 0 HB3 SER A 6 -34.491 6.258 1.738 1.00 3.12 H new ATOM 0 HG SER A 6 -34.624 5.674 -0.387 1.00 3.42 H new ATOM 83 N VAL A 7 -30.810 5.070 0.391 1.00 2.98 N ATOM 84 CA VAL A 7 -29.764 4.105 0.089 1.00 2.91 C ATOM 85 C VAL A 7 -28.430 4.530 0.689 1.00 3.12 C ATOM 86 O VAL A 7 -27.680 3.699 1.194 1.00 3.14 O ATOM 87 CB VAL A 7 -29.608 3.848 -1.426 1.00 2.96 C ATOM 88 CG1 VAL A 7 -29.307 5.122 -2.196 1.00 3.24 C ATOM 89 CG2 VAL A 7 -28.523 2.810 -1.668 1.00 2.98 C ATOM 0 H VAL A 7 -31.203 5.543 -0.423 1.00 2.98 H new ATOM 0 HA VAL A 7 -30.076 3.167 0.548 1.00 2.91 H new ATOM 0 HB VAL A 7 -30.561 3.469 -1.796 1.00 2.96 H new ATOM 0 HG11 VAL A 7 -29.206 4.891 -3.256 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -30.121 5.833 -2.056 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -28.378 5.558 -1.829 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -28.420 2.635 -2.739 1.00 2.98 H new ATOM 0 HG22 VAL A 7 -27.577 3.172 -1.267 1.00 2.98 H new ATOM 0 HG23 VAL A 7 -28.794 1.878 -1.172 1.00 2.98 H new ATOM 99 N MET A 8 -28.144 5.823 0.650 1.00 3.37 N ATOM 100 CA MET A 8 -26.923 6.344 1.250 1.00 3.71 C ATOM 101 C MET A 8 -26.913 6.097 2.750 1.00 3.85 C ATOM 102 O MET A 8 -25.865 5.835 3.327 1.00 4.12 O ATOM 103 CB MET A 8 -26.757 7.833 0.959 1.00 4.00 C ATOM 104 CG MET A 8 -26.511 8.131 -0.506 1.00 4.07 C ATOM 105 SD MET A 8 -26.157 9.870 -0.813 1.00 4.46 S ATOM 106 CE MET A 8 -26.024 9.868 -2.598 1.00 5.17 C ATOM 0 H MET A 8 -28.737 6.528 0.212 1.00 3.37 H new ATOM 0 HA MET A 8 -26.082 5.814 0.803 1.00 3.71 H new ATOM 0 HB2 MET A 8 -27.652 8.362 1.285 1.00 4.00 H new ATOM 0 HB3 MET A 8 -25.925 8.221 1.547 1.00 4.00 H new ATOM 0 HG2 MET A 8 -25.676 7.527 -0.860 1.00 4.07 H new ATOM 0 HG3 MET A 8 -27.386 7.835 -1.084 1.00 4.07 H new ATOM 0 HE1 MET A 8 -25.771 10.870 -2.945 1.00 5.17 H new ATOM 0 HE2 MET A 8 -25.245 9.170 -2.904 1.00 5.17 H new ATOM 0 HE3 MET A 8 -26.976 9.563 -3.033 1.00 5.17 H new ATOM 116 N GLN A 9 -28.080 6.165 3.378 1.00 3.77 N ATOM 117 CA GLN A 9 -28.182 5.855 4.798 1.00 4.01 C ATOM 118 C GLN A 9 -27.755 4.418 5.069 1.00 3.96 C ATOM 119 O GLN A 9 -27.073 4.151 6.053 1.00 4.33 O ATOM 120 CB GLN A 9 -29.597 6.101 5.323 1.00 4.00 C ATOM 121 CG GLN A 9 -29.870 7.560 5.638 1.00 4.36 C ATOM 122 CD GLN A 9 -31.272 7.794 6.162 1.00 4.96 C ATOM 123 OE1 GLN A 9 -31.525 7.684 7.362 1.00 5.38 O ATOM 124 NE2 GLN A 9 -32.190 8.135 5.275 1.00 5.37 N ATOM 0 H GLN A 9 -28.959 6.429 2.933 1.00 3.77 H new ATOM 0 HA GLN A 9 -27.506 6.524 5.331 1.00 4.01 H new ATOM 0 HB2 GLN A 9 -30.318 5.754 4.583 1.00 4.00 H new ATOM 0 HB3 GLN A 9 -29.753 5.506 6.223 1.00 4.00 H new ATOM 0 HG2 GLN A 9 -29.148 7.909 6.376 1.00 4.36 H new ATOM 0 HG3 GLN A 9 -29.719 8.156 4.738 1.00 4.36 H new ATOM 0 HE21 GLN A 9 -31.941 8.216 4.289 1.00 5.37 H new ATOM 0 HE22 GLN A 9 -33.147 8.317 5.576 1.00 5.37 H new ATOM 133 N LEU A 10 -28.145 3.497 4.190 1.00 3.56 N ATOM 134 CA LEU A 10 -27.682 2.111 4.292 1.00 3.52 C ATOM 135 C LEU A 10 -26.190 2.041 4.001 1.00 3.65 C ATOM 136 O LEU A 10 -25.411 1.434 4.738 1.00 3.90 O ATOM 137 CB LEU A 10 -28.368 1.199 3.271 1.00 3.15 C ATOM 138 CG LEU A 10 -29.867 1.352 3.072 1.00 3.03 C ATOM 139 CD1 LEU A 10 -30.383 0.222 2.219 1.00 2.85 C ATOM 140 CD2 LEU A 10 -30.605 1.396 4.390 1.00 3.23 C ATOM 0 H LEU A 10 -28.773 3.680 3.407 1.00 3.56 H new ATOM 0 HA LEU A 10 -27.918 1.779 5.303 1.00 3.52 H new ATOM 0 HB2 LEU A 10 -27.885 1.355 2.306 1.00 3.15 H new ATOM 0 HB3 LEU A 10 -28.173 0.167 3.561 1.00 3.15 H new ATOM 0 HG LEU A 10 -30.047 2.301 2.567 1.00 3.03 H new ATOM 0 HD11 LEU A 10 -31.458 0.334 2.078 1.00 2.85 H new ATOM 0 HD12 LEU A 10 -29.886 0.242 1.249 1.00 2.85 H new ATOM 0 HD13 LEU A 10 -30.179 -0.728 2.712 1.00 2.85 H new ATOM 0 HD21 LEU A 10 -31.674 1.506 4.205 1.00 3.23 H new ATOM 0 HD22 LEU A 10 -30.425 0.472 4.939 1.00 3.23 H new ATOM 0 HD23 LEU A 10 -30.249 2.242 4.978 1.00 3.23 H new ATOM 152 N ALA A 11 -25.826 2.677 2.897 1.00 3.56 N ATOM 153 CA ALA A 11 -24.491 2.572 2.323 1.00 3.74 C ATOM 154 C ALA A 11 -23.399 3.118 3.241 1.00 4.22 C ATOM 155 O ALA A 11 -22.407 2.438 3.505 1.00 4.46 O ATOM 156 CB ALA A 11 -24.456 3.297 0.983 1.00 3.71 C ATOM 0 H ALA A 11 -26.453 3.285 2.370 1.00 3.56 H new ATOM 0 HA ALA A 11 -24.282 1.511 2.187 1.00 3.74 H new ATOM 0 HB1 ALA A 11 -23.457 3.219 0.553 1.00 3.71 H new ATOM 0 HB2 ALA A 11 -25.179 2.844 0.305 1.00 3.71 H new ATOM 0 HB3 ALA A 11 -24.706 4.348 1.131 1.00 3.71 H new ATOM 162 N GLU A 12 -23.595 4.333 3.735 1.00 4.41 N ATOM 163 CA GLU A 12 -22.572 5.024 4.516 1.00 4.92 C ATOM 164 C GLU A 12 -22.301 4.333 5.849 1.00 5.14 C ATOM 165 O GLU A 12 -21.221 4.474 6.417 1.00 5.60 O ATOM 166 CB GLU A 12 -22.977 6.475 4.772 1.00 5.13 C ATOM 167 CG GLU A 12 -23.197 7.295 3.509 1.00 5.27 C ATOM 168 CD GLU A 12 -21.981 7.337 2.607 1.00 5.79 C ATOM 169 OE1 GLU A 12 -20.940 7.889 3.023 1.00 6.27 O ATOM 170 OE2 GLU A 12 -22.055 6.810 1.478 1.00 5.95 O ATOM 0 H GLU A 12 -24.456 4.864 3.609 1.00 4.41 H new ATOM 0 HA GLU A 12 -21.656 4.996 3.927 1.00 4.92 H new ATOM 0 HB2 GLU A 12 -23.893 6.486 5.362 1.00 5.13 H new ATOM 0 HB3 GLU A 12 -22.205 6.955 5.373 1.00 5.13 H new ATOM 0 HG2 GLU A 12 -24.038 6.879 2.955 1.00 5.27 H new ATOM 0 HG3 GLU A 12 -23.471 8.313 3.787 1.00 5.27 H new ATOM 177 N MET A 13 -23.272 3.579 6.347 1.00 4.88 N ATOM 178 CA MET A 13 -23.132 2.957 7.659 1.00 5.14 C ATOM 179 C MET A 13 -22.731 1.490 7.550 1.00 4.89 C ATOM 180 O MET A 13 -22.499 0.832 8.567 1.00 5.03 O ATOM 181 CB MET A 13 -24.427 3.069 8.464 1.00 5.20 C ATOM 182 CG MET A 13 -25.554 2.213 7.918 1.00 4.86 C ATOM 183 SD MET A 13 -26.985 2.166 9.014 1.00 5.10 S ATOM 184 CE MET A 13 -26.296 1.325 10.438 1.00 5.16 C ATOM 0 H MET A 13 -24.153 3.384 5.872 1.00 4.88 H new ATOM 0 HA MET A 13 -22.339 3.496 8.177 1.00 5.14 H new ATOM 0 HB2 MET A 13 -24.230 2.781 9.497 1.00 5.20 H new ATOM 0 HB3 MET A 13 -24.747 4.111 8.479 1.00 5.20 H new ATOM 0 HG2 MET A 13 -25.859 2.598 6.945 1.00 4.86 H new ATOM 0 HG3 MET A 13 -25.190 1.198 7.759 1.00 4.86 H new ATOM 0 HE1 MET A 13 -27.097 0.847 11.001 1.00 5.16 H new ATOM 0 HE2 MET A 13 -25.585 0.569 10.105 1.00 5.16 H new ATOM 0 HE3 MET A 13 -25.786 2.047 11.075 1.00 5.16 H new ATOM 194 N GLY A 14 -22.645 0.971 6.332 1.00 4.62 N ATOM 195 CA GLY A 14 -22.335 -0.433 6.172 1.00 4.51 C ATOM 196 C GLY A 14 -21.972 -0.815 4.754 1.00 4.38 C ATOM 197 O GLY A 14 -20.813 -0.724 4.358 1.00 4.75 O ATOM 0 H GLY A 14 -22.782 1.490 5.464 1.00 4.62 H new ATOM 0 HA2 GLY A 14 -21.507 -0.691 6.832 1.00 4.51 H new ATOM 0 HA3 GLY A 14 -23.193 -1.025 6.490 1.00 4.51 H new ATOM 201 N PHE A 15 -22.964 -1.240 3.987 1.00 4.09 N ATOM 202 CA PHE A 15 -22.720 -1.790 2.661 1.00 4.04 C ATOM 203 C PHE A 15 -23.340 -0.904 1.590 1.00 3.73 C ATOM 204 O PHE A 15 -24.424 -0.359 1.788 1.00 3.48 O ATOM 205 CB PHE A 15 -23.324 -3.195 2.550 1.00 4.10 C ATOM 206 CG PHE A 15 -22.991 -4.104 3.698 1.00 4.27 C ATOM 207 CD1 PHE A 15 -21.724 -4.652 3.814 1.00 4.60 C ATOM 208 CD2 PHE A 15 -23.938 -4.405 4.659 1.00 4.36 C ATOM 209 CE1 PHE A 15 -21.407 -5.485 4.868 1.00 5.01 C ATOM 210 CE2 PHE A 15 -23.629 -5.239 5.716 1.00 4.78 C ATOM 211 CZ PHE A 15 -22.389 -5.792 5.819 1.00 5.09 C ATOM 0 H PHE A 15 -23.947 -1.215 4.259 1.00 4.09 H new ATOM 0 HA PHE A 15 -21.641 -1.838 2.511 1.00 4.04 H new ATOM 0 HB2 PHE A 15 -24.408 -3.107 2.474 1.00 4.10 H new ATOM 0 HB3 PHE A 15 -22.976 -3.655 1.625 1.00 4.10 H new ATOM 0 HD1 PHE A 15 -20.975 -4.425 3.070 1.00 4.60 H new ATOM 0 HD2 PHE A 15 -24.930 -3.984 4.583 1.00 4.36 H new ATOM 0 HE1 PHE A 15 -20.412 -5.896 4.959 1.00 5.01 H new ATOM 0 HE2 PHE A 15 -24.376 -5.454 6.466 1.00 4.78 H new ATOM 0 HZ PHE A 15 -22.163 -6.466 6.632 1.00 5.09 H new ATOM 221 N PRO A 16 -22.652 -0.749 0.446 1.00 3.83 N ATOM 222 CA PRO A 16 -23.187 -0.029 -0.718 1.00 3.69 C ATOM 223 C PRO A 16 -24.387 -0.755 -1.326 1.00 3.43 C ATOM 224 O PRO A 16 -24.282 -1.416 -2.363 1.00 3.52 O ATOM 225 CB PRO A 16 -22.014 -0.006 -1.705 1.00 4.05 C ATOM 226 CG PRO A 16 -21.134 -1.131 -1.286 1.00 4.25 C ATOM 227 CD PRO A 16 -21.290 -1.255 0.203 1.00 4.22 C ATOM 0 HA PRO A 16 -23.547 0.966 -0.457 1.00 3.69 H new ATOM 0 HB2 PRO A 16 -22.359 -0.136 -2.731 1.00 4.05 H new ATOM 0 HB3 PRO A 16 -21.484 0.945 -1.665 1.00 4.05 H new ATOM 0 HG2 PRO A 16 -21.421 -2.056 -1.786 1.00 4.25 H new ATOM 0 HG3 PRO A 16 -20.096 -0.933 -1.553 1.00 4.25 H new ATOM 0 HD2 PRO A 16 -21.180 -2.288 0.534 1.00 4.22 H new ATOM 0 HD3 PRO A 16 -20.542 -0.668 0.736 1.00 4.22 H new ATOM 235 N LEU A 17 -25.526 -0.625 -0.665 1.00 3.19 N ATOM 236 CA LEU A 17 -26.732 -1.344 -1.047 1.00 3.02 C ATOM 237 C LEU A 17 -27.444 -0.676 -2.223 1.00 3.04 C ATOM 238 O LEU A 17 -28.548 -0.153 -2.079 1.00 2.93 O ATOM 239 CB LEU A 17 -27.668 -1.477 0.168 1.00 2.86 C ATOM 240 CG LEU A 17 -27.116 -2.356 1.298 1.00 2.99 C ATOM 241 CD1 LEU A 17 -28.013 -2.296 2.522 1.00 3.21 C ATOM 242 CD2 LEU A 17 -26.969 -3.795 0.828 1.00 3.29 C ATOM 0 H LEU A 17 -25.641 -0.021 0.149 1.00 3.19 H new ATOM 0 HA LEU A 17 -26.443 -2.341 -1.380 1.00 3.02 H new ATOM 0 HB2 LEU A 17 -27.873 -0.483 0.564 1.00 2.86 H new ATOM 0 HB3 LEU A 17 -28.620 -1.890 -0.165 1.00 2.86 H new ATOM 0 HG LEU A 17 -26.134 -1.972 1.574 1.00 2.99 H new ATOM 0 HD11 LEU A 17 -27.599 -2.928 3.308 1.00 3.21 H new ATOM 0 HD12 LEU A 17 -28.075 -1.268 2.878 1.00 3.21 H new ATOM 0 HD13 LEU A 17 -29.010 -2.650 2.260 1.00 3.21 H new ATOM 0 HD21 LEU A 17 -26.576 -4.405 1.641 1.00 3.29 H new ATOM 0 HD22 LEU A 17 -27.942 -4.179 0.523 1.00 3.29 H new ATOM 0 HD23 LEU A 17 -26.283 -3.833 -0.018 1.00 3.29 H new ATOM 254 N GLU A 18 -26.805 -0.690 -3.397 1.00 3.30 N ATOM 255 CA GLU A 18 -27.435 -0.200 -4.616 1.00 3.51 C ATOM 256 C GLU A 18 -28.746 -0.937 -4.886 1.00 3.51 C ATOM 257 O GLU A 18 -29.583 -0.475 -5.660 1.00 3.70 O ATOM 258 CB GLU A 18 -26.517 -0.341 -5.823 1.00 3.90 C ATOM 259 CG GLU A 18 -26.773 0.736 -6.858 1.00 4.24 C ATOM 260 CD GLU A 18 -26.350 0.339 -8.251 1.00 4.90 C ATOM 261 OE1 GLU A 18 -26.818 -0.710 -8.739 1.00 5.48 O ATOM 262 OE2 GLU A 18 -25.585 1.094 -8.876 1.00 5.09 O ATOM 0 H GLU A 18 -25.854 -1.036 -3.524 1.00 3.30 H new ATOM 0 HA GLU A 18 -27.641 0.859 -4.462 1.00 3.51 H new ATOM 0 HB2 GLU A 18 -25.478 -0.291 -5.497 1.00 3.90 H new ATOM 0 HB3 GLU A 18 -26.662 -1.322 -6.276 1.00 3.90 H new ATOM 0 HG2 GLU A 18 -27.836 0.979 -6.864 1.00 4.24 H new ATOM 0 HG3 GLU A 18 -26.241 1.642 -6.569 1.00 4.24 H new ATOM 269 N ALA A 19 -28.909 -2.092 -4.253 1.00 3.41 N ATOM 270 CA ALA A 19 -30.169 -2.815 -4.291 1.00 3.49 C ATOM 271 C ALA A 19 -31.289 -1.929 -3.763 1.00 3.32 C ATOM 272 O ALA A 19 -32.411 -1.963 -4.256 1.00 3.54 O ATOM 273 CB ALA A 19 -30.065 -4.086 -3.466 1.00 3.45 C ATOM 0 H ALA A 19 -28.179 -2.548 -3.705 1.00 3.41 H new ATOM 0 HA ALA A 19 -30.394 -3.088 -5.322 1.00 3.49 H new ATOM 0 HB1 ALA A 19 -31.014 -4.621 -3.501 1.00 3.45 H new ATOM 0 HB2 ALA A 19 -29.276 -4.720 -3.872 1.00 3.45 H new ATOM 0 HB3 ALA A 19 -29.830 -3.831 -2.433 1.00 3.45 H new ATOM 279 N CYS A 20 -30.951 -1.119 -2.769 1.00 3.03 N ATOM 280 CA CYS A 20 -31.877 -0.138 -2.220 1.00 2.94 C ATOM 281 C CYS A 20 -32.039 1.000 -3.202 1.00 3.13 C ATOM 282 O CYS A 20 -33.132 1.493 -3.420 1.00 3.27 O ATOM 283 CB CYS A 20 -31.359 0.431 -0.902 1.00 2.73 C ATOM 284 SG CYS A 20 -32.602 1.351 0.035 1.00 2.75 S ATOM 0 H CYS A 20 -30.034 -1.123 -2.323 1.00 3.03 H new ATOM 0 HA CYS A 20 -32.831 -0.635 -2.041 1.00 2.94 H new ATOM 0 HB2 CYS A 20 -30.985 -0.387 -0.286 1.00 2.73 H new ATOM 0 HB3 CYS A 20 -30.513 1.087 -1.108 1.00 2.73 H new ATOM 0 HG CYS A 20 -33.543 0.541 0.420 1.00 2.75 H new ATOM 290 N ARG A 21 -30.925 1.410 -3.782 1.00 3.24 N ATOM 291 CA ARG A 21 -30.909 2.474 -4.785 1.00 3.55 C ATOM 292 C ARG A 21 -31.924 2.183 -5.902 1.00 3.89 C ATOM 293 O ARG A 21 -32.809 2.997 -6.199 1.00 4.07 O ATOM 294 CB ARG A 21 -29.484 2.590 -5.336 1.00 3.75 C ATOM 295 CG ARG A 21 -29.245 3.748 -6.285 1.00 4.17 C ATOM 296 CD ARG A 21 -27.754 3.958 -6.503 1.00 4.74 C ATOM 297 NE ARG A 21 -27.454 5.224 -7.158 1.00 5.08 N ATOM 298 CZ ARG A 21 -26.705 5.353 -8.251 1.00 5.56 C ATOM 299 NH1 ARG A 21 -26.196 4.281 -8.855 1.00 5.80 N ATOM 300 NH2 ARG A 21 -26.468 6.565 -8.735 1.00 6.10 N ATOM 0 H ARG A 21 -30.005 1.020 -3.576 1.00 3.24 H new ATOM 0 HA ARG A 21 -31.201 3.422 -4.334 1.00 3.55 H new ATOM 0 HB2 ARG A 21 -28.795 2.682 -4.497 1.00 3.75 H new ATOM 0 HB3 ARG A 21 -29.236 1.663 -5.852 1.00 3.75 H new ATOM 0 HG2 ARG A 21 -29.734 3.551 -7.239 1.00 4.17 H new ATOM 0 HG3 ARG A 21 -29.691 4.656 -5.880 1.00 4.17 H new ATOM 0 HD2 ARG A 21 -27.242 3.921 -5.542 1.00 4.74 H new ATOM 0 HD3 ARG A 21 -27.360 3.140 -7.106 1.00 4.74 H new ATOM 0 HE ARG A 21 -27.846 6.073 -6.750 1.00 5.08 H new ATOM 0 HH11 ARG A 21 -26.379 3.350 -8.481 1.00 5.80 H new ATOM 0 HH12 ARG A 21 -25.623 4.391 -9.692 1.00 5.80 H new ATOM 0 HH21 ARG A 21 -26.858 7.385 -8.270 1.00 6.10 H new ATOM 0 HH22 ARG A 21 -25.896 6.677 -9.572 1.00 6.10 H new ATOM 314 N LYS A 22 -31.818 0.996 -6.484 1.00 4.03 N ATOM 315 CA LYS A 22 -32.741 0.571 -7.530 1.00 4.43 C ATOM 316 C LYS A 22 -34.124 0.274 -6.941 1.00 4.38 C ATOM 317 O LYS A 22 -35.136 0.336 -7.640 1.00 4.73 O ATOM 318 CB LYS A 22 -32.180 -0.656 -8.260 1.00 4.63 C ATOM 319 CG LYS A 22 -32.017 -1.885 -7.376 1.00 4.60 C ATOM 320 CD LYS A 22 -31.158 -2.964 -8.025 1.00 4.73 C ATOM 321 CE LYS A 22 -29.673 -2.611 -7.995 1.00 4.49 C ATOM 322 NZ LYS A 22 -29.288 -1.635 -9.054 1.00 4.77 N ATOM 0 H LYS A 22 -31.101 0.309 -6.250 1.00 4.03 H new ATOM 0 HA LYS A 22 -32.852 1.381 -8.251 1.00 4.43 H new ATOM 0 HB2 LYS A 22 -32.840 -0.904 -9.091 1.00 4.63 H new ATOM 0 HB3 LYS A 22 -31.211 -0.399 -8.689 1.00 4.63 H new ATOM 0 HG2 LYS A 22 -31.567 -1.589 -6.428 1.00 4.60 H new ATOM 0 HG3 LYS A 22 -33.000 -2.297 -7.148 1.00 4.60 H new ATOM 0 HD2 LYS A 22 -31.316 -3.911 -7.509 1.00 4.73 H new ATOM 0 HD3 LYS A 22 -31.475 -3.107 -9.058 1.00 4.73 H new ATOM 0 HE2 LYS A 22 -29.423 -2.197 -7.018 1.00 4.49 H new ATOM 0 HE3 LYS A 22 -29.086 -3.521 -8.116 1.00 4.49 H new ATOM 0 HZ1 LYS A 22 -28.278 -1.743 -9.275 1.00 4.77 H new ATOM 0 HZ2 LYS A 22 -29.851 -1.812 -9.911 1.00 4.77 H new ATOM 0 HZ3 LYS A 22 -29.467 -0.668 -8.716 1.00 4.77 H new ATOM 336 N ALA A 23 -34.152 -0.038 -5.649 1.00 4.00 N ATOM 337 CA ALA A 23 -35.400 -0.260 -4.928 1.00 4.00 C ATOM 338 C ALA A 23 -36.166 1.042 -4.763 1.00 4.05 C ATOM 339 O ALA A 23 -37.380 1.077 -4.911 1.00 4.34 O ATOM 340 CB ALA A 23 -35.127 -0.868 -3.566 1.00 3.66 C ATOM 0 H ALA A 23 -33.315 -0.144 -5.075 1.00 4.00 H new ATOM 0 HA ALA A 23 -36.006 -0.953 -5.512 1.00 4.00 H new ATOM 0 HB1 ALA A 23 -36.070 -1.026 -3.043 1.00 3.66 H new ATOM 0 HB2 ALA A 23 -34.616 -1.823 -3.690 1.00 3.66 H new ATOM 0 HB3 ALA A 23 -34.499 -0.193 -2.985 1.00 3.66 H new ATOM 346 N VAL A 24 -35.449 2.107 -4.435 1.00 3.82 N ATOM 347 CA VAL A 24 -36.045 3.433 -4.332 1.00 3.90 C ATOM 348 C VAL A 24 -36.747 3.791 -5.633 1.00 4.37 C ATOM 349 O VAL A 24 -37.880 4.274 -5.627 1.00 4.58 O ATOM 350 CB VAL A 24 -34.988 4.515 -4.011 1.00 3.69 C ATOM 351 CG1 VAL A 24 -35.620 5.899 -3.932 1.00 3.86 C ATOM 352 CG2 VAL A 24 -34.264 4.193 -2.718 1.00 3.33 C ATOM 0 H VAL A 24 -34.449 2.079 -4.235 1.00 3.82 H new ATOM 0 HA VAL A 24 -36.764 3.404 -3.513 1.00 3.90 H new ATOM 0 HB VAL A 24 -34.263 4.519 -4.825 1.00 3.69 H new ATOM 0 HG11 VAL A 24 -34.851 6.638 -3.705 1.00 3.86 H new ATOM 0 HG12 VAL A 24 -36.085 6.142 -4.887 1.00 3.86 H new ATOM 0 HG13 VAL A 24 -36.376 5.909 -3.147 1.00 3.86 H new ATOM 0 HG21 VAL A 24 -33.525 4.968 -2.512 1.00 3.33 H new ATOM 0 HG22 VAL A 24 -34.983 4.150 -1.900 1.00 3.33 H new ATOM 0 HG23 VAL A 24 -33.763 3.229 -2.812 1.00 3.33 H new ATOM 362 N TYR A 25 -36.072 3.539 -6.747 1.00 4.58 N ATOM 363 CA TYR A 25 -36.689 3.716 -8.056 1.00 5.10 C ATOM 364 C TYR A 25 -37.928 2.825 -8.190 1.00 5.36 C ATOM 365 O TYR A 25 -39.002 3.296 -8.561 1.00 5.71 O ATOM 366 CB TYR A 25 -35.686 3.399 -9.170 1.00 5.32 C ATOM 367 CG TYR A 25 -36.274 3.504 -10.562 1.00 5.87 C ATOM 368 CD1 TYR A 25 -36.435 4.739 -11.176 1.00 6.18 C ATOM 369 CD2 TYR A 25 -36.674 2.368 -11.255 1.00 6.12 C ATOM 370 CE1 TYR A 25 -36.977 4.840 -12.442 1.00 6.71 C ATOM 371 CE2 TYR A 25 -37.219 2.460 -12.520 1.00 6.65 C ATOM 372 CZ TYR A 25 -37.368 3.697 -13.110 1.00 6.94 C ATOM 373 OH TYR A 25 -37.911 3.793 -14.372 1.00 7.48 O ATOM 0 H TYR A 25 -35.105 3.214 -6.772 1.00 4.58 H new ATOM 0 HA TYR A 25 -36.997 4.757 -8.151 1.00 5.10 H new ATOM 0 HB2 TYR A 25 -34.839 4.080 -9.090 1.00 5.32 H new ATOM 0 HB3 TYR A 25 -35.299 2.391 -9.023 1.00 5.32 H new ATOM 0 HD1 TYR A 25 -36.131 5.635 -10.655 1.00 6.18 H new ATOM 0 HD2 TYR A 25 -36.557 1.397 -10.796 1.00 6.12 H new ATOM 0 HE1 TYR A 25 -37.094 5.808 -12.907 1.00 6.71 H new ATOM 0 HE2 TYR A 25 -37.527 1.568 -13.045 1.00 6.65 H new ATOM 0 HH TYR A 25 -38.132 2.897 -14.702 1.00 7.48 H new ATOM 383 N PHE A 26 -37.769 1.543 -7.865 1.00 5.24 N ATOM 384 CA PHE A 26 -38.849 0.567 -7.998 1.00 5.55 C ATOM 385 C PHE A 26 -40.050 0.914 -7.115 1.00 5.56 C ATOM 386 O PHE A 26 -41.198 0.754 -7.532 1.00 5.98 O ATOM 387 CB PHE A 26 -38.340 -0.839 -7.655 1.00 5.42 C ATOM 388 CG PHE A 26 -39.390 -1.908 -7.759 1.00 5.81 C ATOM 389 CD1 PHE A 26 -39.829 -2.346 -9.001 1.00 6.32 C ATOM 390 CD2 PHE A 26 -39.942 -2.474 -6.620 1.00 5.81 C ATOM 391 CE1 PHE A 26 -40.797 -3.327 -9.103 1.00 6.79 C ATOM 392 CE2 PHE A 26 -40.909 -3.456 -6.719 1.00 6.37 C ATOM 393 CZ PHE A 26 -41.331 -3.890 -7.942 1.00 6.84 C ATOM 0 H PHE A 26 -36.897 1.154 -7.506 1.00 5.24 H new ATOM 0 HA PHE A 26 -39.182 0.593 -9.036 1.00 5.55 H new ATOM 0 HB2 PHE A 26 -37.514 -1.088 -8.321 1.00 5.42 H new ATOM 0 HB3 PHE A 26 -37.941 -0.833 -6.641 1.00 5.42 H new ATOM 0 HD1 PHE A 26 -39.409 -1.915 -9.898 1.00 6.32 H new ATOM 0 HD2 PHE A 26 -39.613 -2.144 -5.646 1.00 5.81 H new ATOM 0 HE1 PHE A 26 -41.138 -3.656 -10.074 1.00 6.79 H new ATOM 0 HE2 PHE A 26 -41.334 -3.883 -5.822 1.00 6.37 H new ATOM 0 HZ PHE A 26 -42.077 -4.668 -8.012 1.00 6.84 H new ATOM 403 N THR A 27 -39.786 1.391 -5.903 1.00 5.14 N ATOM 404 CA THR A 27 -40.848 1.722 -4.957 1.00 5.20 C ATOM 405 C THR A 27 -41.624 2.959 -5.404 1.00 5.47 C ATOM 406 O THR A 27 -42.721 3.231 -4.918 1.00 5.71 O ATOM 407 CB THR A 27 -40.308 1.961 -3.531 1.00 4.75 C ATOM 408 OG1 THR A 27 -39.280 2.956 -3.550 1.00 4.44 O ATOM 409 CG2 THR A 27 -39.756 0.678 -2.932 1.00 4.59 C ATOM 0 H THR A 27 -38.843 1.558 -5.551 1.00 5.14 H new ATOM 0 HA THR A 27 -41.513 0.859 -4.938 1.00 5.20 H new ATOM 0 HB THR A 27 -41.138 2.306 -2.915 1.00 4.75 H new ATOM 0 HG1 THR A 27 -39.112 3.235 -4.474 1.00 4.44 H new ATOM 0 HG21 THR A 27 -39.383 0.877 -1.927 1.00 4.59 H new ATOM 0 HG22 THR A 27 -40.547 -0.071 -2.884 1.00 4.59 H new ATOM 0 HG23 THR A 27 -38.942 0.307 -3.555 1.00 4.59 H new ATOM 417 N GLY A 28 -41.050 3.695 -6.350 1.00 5.48 N ATOM 418 CA GLY A 28 -41.657 4.929 -6.800 1.00 5.75 C ATOM 419 C GLY A 28 -41.290 6.087 -5.900 1.00 5.44 C ATOM 420 O GLY A 28 -42.047 7.049 -5.779 1.00 5.64 O ATOM 0 H GLY A 28 -40.173 3.456 -6.813 1.00 5.48 H new ATOM 0 HA2 GLY A 28 -41.336 5.143 -7.819 1.00 5.75 H new ATOM 0 HA3 GLY A 28 -42.741 4.815 -6.824 1.00 5.75 H new ATOM 424 N ASN A 29 -40.116 5.987 -5.277 1.00 5.01 N ATOM 425 CA ASN A 29 -39.640 6.992 -4.329 1.00 4.73 C ATOM 426 C ASN A 29 -40.591 7.115 -3.149 1.00 4.74 C ATOM 427 O ASN A 29 -41.226 8.149 -2.946 1.00 4.97 O ATOM 428 CB ASN A 29 -39.447 8.358 -4.998 1.00 4.95 C ATOM 429 CG ASN A 29 -38.278 8.375 -5.961 1.00 4.86 C ATOM 430 OD1 ASN A 29 -37.135 8.553 -5.551 1.00 4.99 O ATOM 431 ND2 ASN A 29 -38.557 8.206 -7.245 1.00 5.06 N ATOM 0 H ASN A 29 -39.471 5.209 -5.415 1.00 5.01 H new ATOM 0 HA ASN A 29 -38.668 6.658 -3.965 1.00 4.73 H new ATOM 0 HB2 ASN A 29 -40.357 8.628 -5.533 1.00 4.95 H new ATOM 0 HB3 ASN A 29 -39.291 9.116 -4.230 1.00 4.95 H new ATOM 0 HD21 ASN A 29 -37.807 8.221 -7.936 1.00 5.06 H new ATOM 0 HD22 ASN A 29 -39.522 8.061 -7.542 1.00 5.06 H new ATOM 438 N MET A 30 -40.682 6.047 -2.367 1.00 4.58 N ATOM 439 CA MET A 30 -41.548 6.024 -1.195 1.00 4.71 C ATOM 440 C MET A 30 -40.773 6.368 0.070 1.00 4.46 C ATOM 441 O MET A 30 -41.047 5.841 1.149 1.00 4.65 O ATOM 442 CB MET A 30 -42.217 4.658 -1.057 1.00 4.89 C ATOM 443 CG MET A 30 -43.321 4.417 -2.071 1.00 5.35 C ATOM 444 SD MET A 30 -44.694 5.574 -1.889 1.00 5.80 S ATOM 445 CE MET A 30 -45.331 5.095 -0.285 1.00 6.28 C ATOM 0 H MET A 30 -40.165 5.182 -2.524 1.00 4.58 H new ATOM 0 HA MET A 30 -42.320 6.782 -1.331 1.00 4.71 H new ATOM 0 HB2 MET A 30 -41.461 3.880 -1.164 1.00 4.89 H new ATOM 0 HB3 MET A 30 -42.631 4.565 -0.053 1.00 4.89 H new ATOM 0 HG2 MET A 30 -42.910 4.502 -3.077 1.00 5.35 H new ATOM 0 HG3 MET A 30 -43.692 3.398 -1.963 1.00 5.35 H new ATOM 0 HE1 MET A 30 -46.351 5.462 -0.174 1.00 6.28 H new ATOM 0 HE2 MET A 30 -45.325 4.008 -0.201 1.00 6.28 H new ATOM 0 HE3 MET A 30 -44.705 5.523 0.498 1.00 6.28 H new ATOM 455 N GLY A 31 -39.803 7.254 -0.069 1.00 4.17 N ATOM 456 CA GLY A 31 -39.052 7.724 1.074 1.00 4.03 C ATOM 457 C GLY A 31 -38.046 6.716 1.595 1.00 3.77 C ATOM 458 O GLY A 31 -37.921 5.610 1.065 1.00 3.68 O ATOM 0 H GLY A 31 -39.520 7.660 -0.961 1.00 4.17 H new ATOM 0 HA2 GLY A 31 -38.528 8.640 0.802 1.00 4.03 H new ATOM 0 HA3 GLY A 31 -39.746 7.979 1.875 1.00 4.03 H new ATOM 462 N ALA A 32 -37.341 7.102 2.650 1.00 3.73 N ATOM 463 CA ALA A 32 -36.306 6.263 3.235 1.00 3.58 C ATOM 464 C ALA A 32 -36.898 5.036 3.916 1.00 3.72 C ATOM 465 O ALA A 32 -36.352 3.938 3.812 1.00 3.56 O ATOM 466 CB ALA A 32 -35.478 7.072 4.219 1.00 3.73 C ATOM 0 H ALA A 32 -37.469 7.998 3.120 1.00 3.73 H new ATOM 0 HA ALA A 32 -35.661 5.910 2.430 1.00 3.58 H new ATOM 0 HB1 ALA A 32 -34.705 6.437 4.653 1.00 3.73 H new ATOM 0 HB2 ALA A 32 -35.011 7.909 3.700 1.00 3.73 H new ATOM 0 HB3 ALA A 32 -36.123 7.451 5.012 1.00 3.73 H new ATOM 472 N GLU A 33 -38.025 5.226 4.587 1.00 4.10 N ATOM 473 CA GLU A 33 -38.652 4.166 5.371 1.00 4.38 C ATOM 474 C GLU A 33 -38.983 2.950 4.511 1.00 4.28 C ATOM 475 O GLU A 33 -38.581 1.829 4.823 1.00 4.30 O ATOM 476 CB GLU A 33 -39.922 4.695 6.037 1.00 4.91 C ATOM 477 CG GLU A 33 -39.669 5.856 6.984 1.00 5.11 C ATOM 478 CD GLU A 33 -38.766 5.476 8.140 1.00 5.12 C ATOM 479 OE1 GLU A 33 -39.284 5.000 9.172 1.00 5.46 O ATOM 480 OE2 GLU A 33 -37.536 5.639 8.020 1.00 5.09 O ATOM 0 H GLU A 33 -38.530 6.112 4.605 1.00 4.10 H new ATOM 0 HA GLU A 33 -37.942 3.850 6.135 1.00 4.38 H new ATOM 0 HB2 GLU A 33 -40.623 5.012 5.265 1.00 4.91 H new ATOM 0 HB3 GLU A 33 -40.399 3.884 6.588 1.00 4.91 H new ATOM 0 HG2 GLU A 33 -39.218 6.680 6.431 1.00 5.11 H new ATOM 0 HG3 GLU A 33 -40.621 6.217 7.374 1.00 5.11 H new ATOM 487 N VAL A 34 -39.691 3.182 3.416 1.00 4.27 N ATOM 488 CA VAL A 34 -40.149 2.094 2.564 1.00 4.34 C ATOM 489 C VAL A 34 -38.985 1.389 1.869 1.00 4.01 C ATOM 490 O VAL A 34 -38.993 0.167 1.731 1.00 4.11 O ATOM 491 CB VAL A 34 -41.168 2.594 1.516 1.00 4.54 C ATOM 492 CG1 VAL A 34 -41.528 1.496 0.526 1.00 4.83 C ATOM 493 CG2 VAL A 34 -42.419 3.115 2.205 1.00 4.88 C ATOM 0 H VAL A 34 -39.961 4.112 3.096 1.00 4.27 H new ATOM 0 HA VAL A 34 -40.643 1.371 3.214 1.00 4.34 H new ATOM 0 HB VAL A 34 -40.705 3.408 0.959 1.00 4.54 H new ATOM 0 HG11 VAL A 34 -42.247 1.880 -0.198 1.00 4.83 H new ATOM 0 HG12 VAL A 34 -40.629 1.167 0.005 1.00 4.83 H new ATOM 0 HG13 VAL A 34 -41.967 0.653 1.061 1.00 4.83 H new ATOM 0 HG21 VAL A 34 -43.129 3.464 1.455 1.00 4.88 H new ATOM 0 HG22 VAL A 34 -42.873 2.314 2.789 1.00 4.88 H new ATOM 0 HG23 VAL A 34 -42.154 3.940 2.866 1.00 4.88 H new ATOM 503 N ALA A 35 -37.977 2.143 1.447 1.00 3.68 N ATOM 504 CA ALA A 35 -36.845 1.542 0.750 1.00 3.42 C ATOM 505 C ALA A 35 -35.893 0.840 1.717 1.00 3.28 C ATOM 506 O ALA A 35 -35.261 -0.154 1.358 1.00 3.21 O ATOM 507 CB ALA A 35 -36.105 2.560 -0.088 1.00 3.22 C ATOM 0 H ALA A 35 -37.919 3.154 1.572 1.00 3.68 H new ATOM 0 HA ALA A 35 -37.252 0.786 0.078 1.00 3.42 H new ATOM 0 HB1 ALA A 35 -35.268 2.077 -0.593 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -36.782 2.981 -0.831 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -35.730 3.357 0.554 1.00 3.22 H new ATOM 513 N PHE A 36 -35.780 1.364 2.938 1.00 3.36 N ATOM 514 CA PHE A 36 -35.067 0.662 4.003 1.00 3.45 C ATOM 515 C PHE A 36 -35.779 -0.663 4.270 1.00 3.68 C ATOM 516 O PHE A 36 -35.151 -1.699 4.474 1.00 3.69 O ATOM 517 CB PHE A 36 -35.014 1.520 5.276 1.00 3.70 C ATOM 518 CG PHE A 36 -34.484 0.797 6.484 1.00 3.98 C ATOM 519 CD1 PHE A 36 -33.123 0.589 6.642 1.00 3.93 C ATOM 520 CD2 PHE A 36 -35.348 0.319 7.456 1.00 4.38 C ATOM 521 CE1 PHE A 36 -32.633 -0.080 7.746 1.00 4.29 C ATOM 522 CE2 PHE A 36 -34.864 -0.353 8.563 1.00 4.71 C ATOM 523 CZ PHE A 36 -33.508 -0.530 8.721 1.00 4.66 C ATOM 0 H PHE A 36 -36.170 2.266 3.212 1.00 3.36 H new ATOM 0 HA PHE A 36 -34.039 0.470 3.696 1.00 3.45 H new ATOM 0 HB2 PHE A 36 -34.390 2.394 5.086 1.00 3.70 H new ATOM 0 HB3 PHE A 36 -36.017 1.886 5.496 1.00 3.70 H new ATOM 0 HD1 PHE A 36 -32.437 0.955 5.892 1.00 3.93 H new ATOM 0 HD2 PHE A 36 -36.411 0.473 7.348 1.00 4.38 H new ATOM 0 HE1 PHE A 36 -31.572 -0.252 7.849 1.00 4.29 H new ATOM 0 HE2 PHE A 36 -35.549 -0.739 9.303 1.00 4.71 H new ATOM 0 HZ PHE A 36 -33.127 -1.020 9.605 1.00 4.66 H new ATOM 533 N ASN A 37 -37.106 -0.614 4.237 1.00 3.94 N ATOM 534 CA ASN A 37 -37.933 -1.810 4.352 1.00 4.25 C ATOM 535 C ASN A 37 -37.709 -2.741 3.161 1.00 4.16 C ATOM 536 O ASN A 37 -37.651 -3.962 3.306 1.00 4.35 O ATOM 537 CB ASN A 37 -39.412 -1.411 4.451 1.00 4.57 C ATOM 538 CG ASN A 37 -40.359 -2.577 4.252 1.00 5.25 C ATOM 539 OD1 ASN A 37 -40.649 -3.330 5.182 1.00 5.69 O ATOM 540 ND2 ASN A 37 -40.875 -2.715 3.039 1.00 5.66 N ATOM 0 H ASN A 37 -37.637 0.251 4.130 1.00 3.94 H new ATOM 0 HA ASN A 37 -37.648 -2.347 5.257 1.00 4.25 H new ATOM 0 HB2 ASN A 37 -39.597 -0.964 5.428 1.00 4.57 H new ATOM 0 HB3 ASN A 37 -39.626 -0.646 3.705 1.00 4.57 H new ATOM 0 HD21 ASN A 37 -41.538 -3.466 2.849 1.00 5.66 H new ATOM 0 HD22 ASN A 37 -40.609 -2.070 2.295 1.00 5.66 H new ATOM 547 N TRP A 38 -37.562 -2.166 1.978 1.00 3.97 N ATOM 548 CA TRP A 38 -37.366 -2.970 0.786 1.00 4.01 C ATOM 549 C TRP A 38 -36.008 -3.668 0.833 1.00 3.81 C ATOM 550 O TRP A 38 -35.844 -4.773 0.310 1.00 4.02 O ATOM 551 CB TRP A 38 -37.491 -2.123 -0.487 1.00 3.96 C ATOM 552 CG TRP A 38 -37.871 -2.954 -1.677 1.00 4.29 C ATOM 553 CD1 TRP A 38 -37.080 -3.292 -2.734 1.00 4.58 C ATOM 554 CD2 TRP A 38 -39.138 -3.582 -1.908 1.00 4.67 C ATOM 555 NE1 TRP A 38 -37.780 -4.078 -3.616 1.00 4.88 N ATOM 556 CE2 TRP A 38 -39.045 -4.271 -3.132 1.00 4.93 C ATOM 557 CE3 TRP A 38 -40.344 -3.623 -1.203 1.00 5.14 C ATOM 558 CZ2 TRP A 38 -40.110 -4.993 -3.662 1.00 5.44 C ATOM 559 CZ3 TRP A 38 -41.400 -4.342 -1.731 1.00 5.81 C ATOM 560 CH2 TRP A 38 -41.275 -5.018 -2.950 1.00 5.87 C ATOM 0 H TRP A 38 -37.575 -1.158 1.820 1.00 3.97 H new ATOM 0 HA TRP A 38 -38.150 -3.727 0.760 1.00 4.01 H new ATOM 0 HB2 TRP A 38 -38.239 -1.345 -0.334 1.00 3.96 H new ATOM 0 HB3 TRP A 38 -36.544 -1.620 -0.683 1.00 3.96 H new ATOM 0 HD1 TRP A 38 -36.052 -2.986 -2.860 1.00 4.58 H new ATOM 0 HE1 TRP A 38 -37.416 -4.457 -4.490 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -40.449 -3.102 -0.263 1.00 5.14 H new ATOM 0 HZ2 TRP A 38 -40.018 -5.515 -4.603 1.00 5.44 H new ATOM 0 HZ3 TRP A 38 -42.336 -4.383 -1.194 1.00 5.81 H new ATOM 0 HH2 TRP A 38 -42.118 -5.571 -3.336 1.00 5.87 H new ATOM 571 N ILE A 39 -35.038 -3.032 1.477 1.00 3.49 N ATOM 572 CA ILE A 39 -33.706 -3.602 1.565 1.00 3.34 C ATOM 573 C ILE A 39 -33.642 -4.710 2.606 1.00 3.60 C ATOM 574 O ILE A 39 -32.897 -5.663 2.443 1.00 3.69 O ATOM 575 CB ILE A 39 -32.621 -2.538 1.844 1.00 3.04 C ATOM 576 CG1 ILE A 39 -31.296 -2.979 1.224 1.00 2.98 C ATOM 577 CG2 ILE A 39 -32.435 -2.285 3.334 1.00 3.21 C ATOM 578 CD1 ILE A 39 -31.388 -3.257 -0.259 1.00 3.10 C ATOM 0 H ILE A 39 -35.149 -2.130 1.941 1.00 3.49 H new ATOM 0 HA ILE A 39 -33.495 -4.032 0.586 1.00 3.34 H new ATOM 0 HB ILE A 39 -32.952 -1.603 1.392 1.00 3.04 H new ATOM 0 HG12 ILE A 39 -30.548 -2.205 1.395 1.00 2.98 H new ATOM 0 HG13 ILE A 39 -30.947 -3.877 1.733 1.00 2.98 H new ATOM 0 HG21 ILE A 39 -31.663 -1.530 3.481 1.00 3.21 H new ATOM 0 HG22 ILE A 39 -33.373 -1.933 3.763 1.00 3.21 H new ATOM 0 HG23 ILE A 39 -32.136 -3.211 3.826 1.00 3.21 H new ATOM 0 HD11 ILE A 39 -30.412 -3.565 -0.633 1.00 3.10 H new ATOM 0 HD12 ILE A 39 -32.112 -4.053 -0.436 1.00 3.10 H new ATOM 0 HD13 ILE A 39 -31.707 -2.354 -0.779 1.00 3.10 H new ATOM 590 N ILE A 40 -34.423 -4.599 3.673 1.00 3.82 N ATOM 591 CA ILE A 40 -34.476 -5.676 4.657 1.00 4.18 C ATOM 592 C ILE A 40 -35.147 -6.900 4.046 1.00 4.46 C ATOM 593 O ILE A 40 -34.893 -8.033 4.442 1.00 4.72 O ATOM 594 CB ILE A 40 -35.169 -5.265 5.981 1.00 4.46 C ATOM 595 CG1 ILE A 40 -36.642 -4.967 5.813 1.00 4.61 C ATOM 596 CG2 ILE A 40 -34.499 -4.051 6.575 1.00 4.32 C ATOM 597 CD1 ILE A 40 -37.544 -6.154 6.076 1.00 5.04 C ATOM 0 H ILE A 40 -35.016 -3.795 3.878 1.00 3.82 H new ATOM 0 HA ILE A 40 -33.447 -5.917 4.924 1.00 4.18 H new ATOM 0 HB ILE A 40 -35.073 -6.123 6.647 1.00 4.46 H new ATOM 0 HG12 ILE A 40 -36.918 -4.157 6.489 1.00 4.61 H new ATOM 0 HG13 ILE A 40 -36.816 -4.609 4.798 1.00 4.61 H new ATOM 0 HG21 ILE A 40 -34.999 -3.777 7.504 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -33.452 -4.277 6.779 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -34.561 -3.221 5.872 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -38.584 -5.859 5.935 1.00 5.04 H new ATOM 0 HD12 ILE A 40 -37.298 -6.959 5.383 1.00 5.04 H new ATOM 0 HD13 ILE A 40 -37.401 -6.500 7.100 1.00 5.04 H new ATOM 609 N VAL A 41 -36.000 -6.654 3.067 1.00 4.47 N ATOM 610 CA VAL A 41 -36.556 -7.728 2.247 1.00 4.80 C ATOM 611 C VAL A 41 -35.471 -8.314 1.333 1.00 4.72 C ATOM 612 O VAL A 41 -35.423 -9.523 1.095 1.00 5.04 O ATOM 613 CB VAL A 41 -37.740 -7.231 1.387 1.00 4.99 C ATOM 614 CG1 VAL A 41 -38.281 -8.348 0.508 1.00 5.34 C ATOM 615 CG2 VAL A 41 -38.843 -6.674 2.267 1.00 5.37 C ATOM 0 H VAL A 41 -36.326 -5.720 2.817 1.00 4.47 H new ATOM 0 HA VAL A 41 -36.924 -8.500 2.923 1.00 4.80 H new ATOM 0 HB VAL A 41 -37.373 -6.434 0.740 1.00 4.99 H new ATOM 0 HG11 VAL A 41 -39.113 -7.972 -0.087 1.00 5.34 H new ATOM 0 HG12 VAL A 41 -37.492 -8.704 -0.155 1.00 5.34 H new ATOM 0 HG13 VAL A 41 -38.626 -9.170 1.135 1.00 5.34 H new ATOM 0 HG21 VAL A 41 -39.667 -6.329 1.643 1.00 5.37 H new ATOM 0 HG22 VAL A 41 -39.199 -7.453 2.941 1.00 5.37 H new ATOM 0 HG23 VAL A 41 -38.456 -5.839 2.851 1.00 5.37 H new ATOM 625 N HIS A 42 -34.592 -7.450 0.838 1.00 4.36 N ATOM 626 CA HIS A 42 -33.520 -7.862 -0.073 1.00 4.38 C ATOM 627 C HIS A 42 -32.170 -7.966 0.643 1.00 4.19 C ATOM 628 O HIS A 42 -31.122 -7.889 0.015 1.00 4.21 O ATOM 629 CB HIS A 42 -33.411 -6.905 -1.267 1.00 4.29 C ATOM 630 CG HIS A 42 -34.448 -7.139 -2.324 1.00 4.59 C ATOM 631 ND1 HIS A 42 -34.195 -7.831 -3.493 1.00 4.88 N ATOM 632 CD2 HIS A 42 -35.749 -6.768 -2.388 1.00 5.00 C ATOM 633 CE1 HIS A 42 -35.292 -7.869 -4.224 1.00 5.32 C ATOM 634 NE2 HIS A 42 -36.251 -7.234 -3.578 1.00 5.35 N ATOM 0 H HIS A 42 -34.598 -6.453 1.052 1.00 4.36 H new ATOM 0 HA HIS A 42 -33.782 -8.854 -0.441 1.00 4.38 H new ATOM 0 HB2 HIS A 42 -33.496 -5.879 -0.908 1.00 4.29 H new ATOM 0 HB3 HIS A 42 -32.421 -7.006 -1.713 1.00 4.29 H new ATOM 0 HD2 HIS A 42 -36.292 -6.209 -1.640 1.00 5.00 H new ATOM 0 HE1 HIS A 42 -35.389 -8.341 -5.190 1.00 5.32 H new ATOM 0 HE2 HIS A 42 -37.208 -7.110 -3.908 1.00 5.35 H new ATOM 643 N MET A 43 -32.201 -8.104 1.961 1.00 4.14 N ATOM 644 CA MET A 43 -30.980 -8.333 2.742 1.00 4.14 C ATOM 645 C MET A 43 -30.275 -9.610 2.288 1.00 4.46 C ATOM 646 O MET A 43 -29.073 -9.779 2.494 1.00 4.53 O ATOM 647 CB MET A 43 -31.299 -8.415 4.237 1.00 4.26 C ATOM 648 CG MET A 43 -32.253 -9.544 4.598 1.00 4.64 C ATOM 649 SD MET A 43 -32.683 -9.562 6.349 1.00 4.92 S ATOM 650 CE MET A 43 -33.915 -10.864 6.377 1.00 5.73 C ATOM 0 H MET A 43 -33.055 -8.062 2.517 1.00 4.14 H new ATOM 0 HA MET A 43 -30.313 -7.488 2.572 1.00 4.14 H new ATOM 0 HB2 MET A 43 -30.369 -8.546 4.791 1.00 4.26 H new ATOM 0 HB3 MET A 43 -31.732 -7.468 4.560 1.00 4.26 H new ATOM 0 HG2 MET A 43 -33.163 -9.448 4.006 1.00 4.64 H new ATOM 0 HG3 MET A 43 -31.798 -10.498 4.330 1.00 4.64 H new ATOM 0 HE1 MET A 43 -34.281 -10.997 7.395 1.00 5.73 H new ATOM 0 HE2 MET A 43 -34.746 -10.593 5.726 1.00 5.73 H new ATOM 0 HE3 MET A 43 -33.469 -11.795 6.027 1.00 5.73 H new ATOM 1066 N GLN A 76 16.908 -6.297 4.662 1.00 5.05 N ATOM 1067 CA GLN A 76 18.279 -6.048 5.050 1.00 4.93 C ATOM 1068 C GLN A 76 19.214 -6.740 4.072 1.00 4.67 C ATOM 1069 O GLN A 76 18.973 -7.884 3.681 1.00 4.88 O ATOM 1070 CB GLN A 76 18.538 -6.560 6.469 1.00 5.47 C ATOM 1071 CG GLN A 76 19.841 -6.050 7.064 1.00 5.74 C ATOM 1072 CD GLN A 76 20.248 -6.784 8.331 1.00 6.61 C ATOM 1073 OE1 GLN A 76 21.433 -6.908 8.632 1.00 7.14 O ATOM 1074 NE2 GLN A 76 19.270 -7.274 9.083 1.00 7.04 N ATOM 0 HA GLN A 76 18.461 -4.974 5.033 1.00 4.93 H new ATOM 0 HB2 GLN A 76 17.711 -6.260 7.113 1.00 5.47 H new ATOM 0 HB3 GLN A 76 18.554 -7.650 6.457 1.00 5.47 H new ATOM 0 HG2 GLN A 76 20.635 -6.149 6.323 1.00 5.74 H new ATOM 0 HG3 GLN A 76 19.741 -4.987 7.284 1.00 5.74 H new ATOM 0 HE21 GLN A 76 18.298 -7.151 8.800 1.00 7.04 H new ATOM 0 HE22 GLN A 76 19.491 -7.774 9.944 1.00 7.04 H new ATOM 1083 N PRO A 77 20.273 -6.040 3.641 1.00 4.45 N ATOM 1084 CA PRO A 77 21.310 -6.609 2.776 1.00 4.52 C ATOM 1085 C PRO A 77 21.910 -7.884 3.351 1.00 5.11 C ATOM 1086 O PRO A 77 21.794 -8.150 4.546 1.00 5.41 O ATOM 1087 CB PRO A 77 22.371 -5.516 2.746 1.00 4.27 C ATOM 1088 CG PRO A 77 21.617 -4.270 2.969 1.00 4.17 C ATOM 1089 CD PRO A 77 20.543 -4.627 3.949 1.00 4.44 C ATOM 0 HA PRO A 77 20.915 -6.885 1.798 1.00 4.52 H new ATOM 0 HB2 PRO A 77 23.123 -5.670 3.520 1.00 4.27 H new ATOM 0 HB3 PRO A 77 22.896 -5.498 1.791 1.00 4.27 H new ATOM 0 HG2 PRO A 77 22.263 -3.485 3.362 1.00 4.17 H new ATOM 0 HG3 PRO A 77 21.191 -3.896 2.038 1.00 4.17 H new ATOM 0 HD2 PRO A 77 20.875 -4.494 4.979 1.00 4.44 H new ATOM 0 HD3 PRO A 77 19.655 -4.008 3.818 1.00 4.44 H new ATOM 1097 N PRO A 78 22.589 -8.675 2.508 1.00 5.63 N ATOM 1098 CA PRO A 78 23.183 -9.938 2.928 1.00 6.52 C ATOM 1099 C PRO A 78 24.268 -9.713 3.966 1.00 6.80 C ATOM 1100 O PRO A 78 25.313 -9.137 3.660 1.00 6.74 O ATOM 1101 CB PRO A 78 23.774 -10.507 1.633 1.00 7.14 C ATOM 1102 CG PRO A 78 23.982 -9.317 0.768 1.00 6.55 C ATOM 1103 CD PRO A 78 22.865 -8.383 1.093 1.00 5.69 C ATOM 0 HA PRO A 78 22.462 -10.608 3.396 1.00 6.52 H new ATOM 0 HB2 PRO A 78 24.711 -11.031 1.820 1.00 7.14 H new ATOM 0 HB3 PRO A 78 23.096 -11.223 1.168 1.00 7.14 H new ATOM 0 HG2 PRO A 78 24.949 -8.854 0.964 1.00 6.55 H new ATOM 0 HG3 PRO A 78 23.968 -9.592 -0.287 1.00 6.55 H new ATOM 0 HD2 PRO A 78 23.153 -7.342 0.945 1.00 5.69 H new ATOM 0 HD3 PRO A 78 21.992 -8.564 0.466 1.00 5.69 H new ATOM 1111 N GLU A 79 24.006 -10.155 5.190 1.00 7.24 N ATOM 1112 CA GLU A 79 24.948 -10.004 6.290 1.00 7.85 C ATOM 1113 C GLU A 79 26.286 -10.633 5.937 1.00 8.62 C ATOM 1114 O GLU A 79 27.319 -10.251 6.476 1.00 8.98 O ATOM 1115 CB GLU A 79 24.389 -10.640 7.560 1.00 8.51 C ATOM 1116 CG GLU A 79 24.245 -12.146 7.468 1.00 9.18 C ATOM 1117 CD GLU A 79 23.447 -12.728 8.614 1.00 9.68 C ATOM 1118 OE1 GLU A 79 22.197 -12.652 8.577 1.00 9.76 O ATOM 1119 OE2 GLU A 79 24.062 -13.260 9.561 1.00 10.13 O ATOM 0 H GLU A 79 23.138 -10.626 5.446 1.00 7.24 H new ATOM 0 HA GLU A 79 25.099 -8.939 6.467 1.00 7.85 H new ATOM 0 HB2 GLU A 79 25.043 -10.396 8.397 1.00 8.51 H new ATOM 0 HB3 GLU A 79 23.415 -10.202 7.778 1.00 8.51 H new ATOM 0 HG2 GLU A 79 23.761 -12.404 6.526 1.00 9.18 H new ATOM 0 HG3 GLU A 79 25.235 -12.601 7.452 1.00 9.18 H new ATOM 1126 N GLU A 80 26.240 -11.601 5.037 1.00 9.00 N ATOM 1127 CA GLU A 80 27.428 -12.196 4.469 1.00 9.80 C ATOM 1128 C GLU A 80 28.282 -11.126 3.797 1.00 9.30 C ATOM 1129 O GLU A 80 29.448 -10.935 4.131 1.00 9.74 O ATOM 1130 CB GLU A 80 26.991 -13.270 3.464 1.00 10.33 C ATOM 1131 CG GLU A 80 27.989 -13.565 2.358 1.00 10.80 C ATOM 1132 CD GLU A 80 29.193 -14.350 2.840 1.00 11.40 C ATOM 1133 OE1 GLU A 80 29.995 -13.795 3.622 1.00 11.61 O ATOM 1134 OE2 GLU A 80 29.352 -15.518 2.439 1.00 11.78 O ATOM 0 H GLU A 80 25.369 -11.995 4.681 1.00 9.00 H new ATOM 0 HA GLU A 80 28.035 -12.655 5.249 1.00 9.80 H new ATOM 0 HB2 GLU A 80 26.792 -14.194 4.007 1.00 10.33 H new ATOM 0 HB3 GLU A 80 26.051 -12.958 3.009 1.00 10.33 H new ATOM 0 HG2 GLU A 80 27.491 -14.125 1.566 1.00 10.80 H new ATOM 0 HG3 GLU A 80 28.326 -12.625 1.920 1.00 10.80 H new ATOM 1141 N ILE A 81 27.673 -10.397 2.883 1.00 8.42 N ATOM 1142 CA ILE A 81 28.385 -9.409 2.104 1.00 7.96 C ATOM 1143 C ILE A 81 28.685 -8.155 2.908 1.00 7.34 C ATOM 1144 O ILE A 81 29.780 -7.607 2.795 1.00 7.45 O ATOM 1145 CB ILE A 81 27.614 -9.039 0.836 1.00 7.44 C ATOM 1146 CG1 ILE A 81 27.564 -10.234 -0.110 1.00 8.39 C ATOM 1147 CG2 ILE A 81 28.256 -7.840 0.169 1.00 6.94 C ATOM 1148 CD1 ILE A 81 26.722 -9.990 -1.338 1.00 8.28 C ATOM 0 H ILE A 81 26.680 -10.473 2.662 1.00 8.42 H new ATOM 0 HA ILE A 81 29.334 -9.865 1.820 1.00 7.96 H new ATOM 0 HB ILE A 81 26.591 -8.772 1.101 1.00 7.44 H new ATOM 0 HG12 ILE A 81 28.578 -10.487 -0.418 1.00 8.39 H new ATOM 0 HG13 ILE A 81 27.169 -11.097 0.427 1.00 8.39 H new ATOM 0 HG21 ILE A 81 27.700 -7.584 -0.733 1.00 6.94 H new ATOM 0 HG22 ILE A 81 28.245 -6.993 0.855 1.00 6.94 H new ATOM 0 HG23 ILE A 81 29.286 -8.079 -0.095 1.00 6.94 H new ATOM 0 HD11 ILE A 81 26.730 -10.880 -1.967 1.00 8.28 H new ATOM 0 HD12 ILE A 81 25.698 -9.766 -1.039 1.00 8.28 H new ATOM 0 HD13 ILE A 81 27.129 -9.147 -1.897 1.00 8.28 H new ATOM 1160 N VAL A 82 27.734 -7.701 3.723 1.00 6.83 N ATOM 1161 CA VAL A 82 27.971 -6.530 4.553 1.00 6.55 C ATOM 1162 C VAL A 82 29.207 -6.789 5.407 1.00 7.54 C ATOM 1163 O VAL A 82 30.034 -5.906 5.610 1.00 7.57 O ATOM 1164 CB VAL A 82 26.761 -6.169 5.457 1.00 6.32 C ATOM 1165 CG1 VAL A 82 25.475 -6.082 4.649 1.00 5.50 C ATOM 1166 CG2 VAL A 82 26.606 -7.154 6.602 1.00 7.25 C ATOM 0 H VAL A 82 26.809 -8.120 3.823 1.00 6.83 H new ATOM 0 HA VAL A 82 28.122 -5.675 3.894 1.00 6.55 H new ATOM 0 HB VAL A 82 26.962 -5.187 5.885 1.00 6.32 H new ATOM 0 HG11 VAL A 82 24.646 -5.828 5.310 1.00 5.50 H new ATOM 0 HG12 VAL A 82 25.578 -5.313 3.883 1.00 5.50 H new ATOM 0 HG13 VAL A 82 25.278 -7.043 4.174 1.00 5.50 H new ATOM 0 HG21 VAL A 82 25.749 -6.870 7.213 1.00 7.25 H new ATOM 0 HG22 VAL A 82 26.450 -8.156 6.202 1.00 7.25 H new ATOM 0 HG23 VAL A 82 27.508 -7.145 7.214 1.00 7.25 H new ATOM 1176 N ALA A 83 29.327 -8.039 5.856 1.00 8.43 N ATOM 1177 CA ALA A 83 30.469 -8.509 6.614 1.00 9.53 C ATOM 1178 C ALA A 83 31.745 -8.376 5.797 1.00 9.70 C ATOM 1179 O ALA A 83 32.744 -7.844 6.273 1.00 10.09 O ATOM 1180 CB ALA A 83 30.240 -9.957 6.997 1.00 10.39 C ATOM 0 H ALA A 83 28.620 -8.757 5.697 1.00 8.43 H new ATOM 0 HA ALA A 83 30.581 -7.903 7.513 1.00 9.53 H new ATOM 0 HB1 ALA A 83 31.094 -10.322 7.568 1.00 10.39 H new ATOM 0 HB2 ALA A 83 29.338 -10.035 7.604 1.00 10.39 H new ATOM 0 HB3 ALA A 83 30.124 -10.558 6.095 1.00 10.39 H new ATOM 1186 N ILE A 84 31.693 -8.855 4.561 1.00 9.53 N ATOM 1187 CA ILE A 84 32.829 -8.791 3.655 1.00 9.80 C ATOM 1188 C ILE A 84 33.245 -7.346 3.409 1.00 9.04 C ATOM 1189 O ILE A 84 34.428 -7.015 3.435 1.00 9.43 O ATOM 1190 CB ILE A 84 32.490 -9.465 2.307 1.00 9.84 C ATOM 1191 CG1 ILE A 84 32.234 -10.955 2.522 1.00 10.78 C ATOM 1192 CG2 ILE A 84 33.613 -9.252 1.299 1.00 10.13 C ATOM 1193 CD1 ILE A 84 31.249 -11.550 1.546 1.00 10.71 C ATOM 0 H ILE A 84 30.865 -9.297 4.161 1.00 9.53 H new ATOM 0 HA ILE A 84 33.657 -9.324 4.123 1.00 9.80 H new ATOM 0 HB ILE A 84 31.587 -9.007 1.904 1.00 9.84 H new ATOM 0 HG12 ILE A 84 33.179 -11.492 2.443 1.00 10.78 H new ATOM 0 HG13 ILE A 84 31.864 -11.108 3.536 1.00 10.78 H new ATOM 0 HG21 ILE A 84 33.353 -9.735 0.357 1.00 10.13 H new ATOM 0 HG22 ILE A 84 33.755 -8.184 1.132 1.00 10.13 H new ATOM 0 HG23 ILE A 84 34.536 -9.684 1.686 1.00 10.13 H new ATOM 0 HD11 ILE A 84 31.119 -12.611 1.761 1.00 10.71 H new ATOM 0 HD12 ILE A 84 30.290 -11.040 1.640 1.00 10.71 H new ATOM 0 HD13 ILE A 84 31.626 -11.430 0.530 1.00 10.71 H new ATOM 1205 N ILE A 85 32.261 -6.486 3.198 1.00 8.01 N ATOM 1206 CA ILE A 85 32.512 -5.087 2.906 1.00 7.27 C ATOM 1207 C ILE A 85 33.184 -4.380 4.074 1.00 7.66 C ATOM 1208 O ILE A 85 34.151 -3.640 3.890 1.00 7.73 O ATOM 1209 CB ILE A 85 31.208 -4.365 2.553 1.00 6.22 C ATOM 1210 CG1 ILE A 85 30.581 -5.028 1.330 1.00 6.07 C ATOM 1211 CG2 ILE A 85 31.465 -2.889 2.300 1.00 5.61 C ATOM 1212 CD1 ILE A 85 29.190 -4.533 1.002 1.00 5.25 C ATOM 0 H ILE A 85 31.273 -6.738 3.224 1.00 8.01 H new ATOM 0 HA ILE A 85 33.187 -5.054 2.051 1.00 7.27 H new ATOM 0 HB ILE A 85 30.515 -4.440 3.391 1.00 6.22 H new ATOM 0 HG12 ILE A 85 31.227 -4.860 0.468 1.00 6.07 H new ATOM 0 HG13 ILE A 85 30.542 -6.105 1.494 1.00 6.07 H new ATOM 0 HG21 ILE A 85 30.527 -2.394 2.051 1.00 5.61 H new ATOM 0 HG22 ILE A 85 31.888 -2.435 3.196 1.00 5.61 H new ATOM 0 HG23 ILE A 85 32.165 -2.778 1.472 1.00 5.61 H new ATOM 0 HD11 ILE A 85 28.817 -5.054 0.120 1.00 5.25 H new ATOM 0 HD12 ILE A 85 28.527 -4.726 1.845 1.00 5.25 H new ATOM 0 HD13 ILE A 85 29.222 -3.462 0.803 1.00 5.25 H new ATOM 1224 N THR A 86 32.686 -4.605 5.278 1.00 8.07 N ATOM 1225 CA THR A 86 33.311 -4.006 6.442 1.00 8.77 C ATOM 1226 C THR A 86 34.653 -4.684 6.749 1.00 9.82 C ATOM 1227 O THR A 86 35.529 -4.083 7.370 1.00 10.38 O ATOM 1228 CB THR A 86 32.385 -3.968 7.686 1.00 9.14 C ATOM 1229 OG1 THR A 86 33.124 -3.599 8.855 1.00 10.16 O ATOM 1230 CG2 THR A 86 31.661 -5.280 7.917 1.00 9.36 C ATOM 0 H THR A 86 31.869 -5.185 5.472 1.00 8.07 H new ATOM 0 HA THR A 86 33.504 -2.963 6.191 1.00 8.77 H new ATOM 0 HB THR A 86 31.625 -3.213 7.486 1.00 9.14 H new ATOM 0 HG1 THR A 86 33.568 -2.739 8.703 1.00 10.16 H new ATOM 0 HG21 THR A 86 31.028 -5.196 8.800 1.00 9.36 H new ATOM 0 HG22 THR A 86 31.044 -5.513 7.049 1.00 9.36 H new ATOM 0 HG23 THR A 86 32.390 -6.076 8.068 1.00 9.36 H new ATOM 1238 N SER A 87 34.833 -5.911 6.260 1.00 10.16 N ATOM 1239 CA SER A 87 36.122 -6.589 6.355 1.00 11.17 C ATOM 1240 C SER A 87 37.105 -6.008 5.334 1.00 10.93 C ATOM 1241 O SER A 87 38.321 -6.123 5.487 1.00 11.68 O ATOM 1242 CB SER A 87 35.958 -8.098 6.147 1.00 11.77 C ATOM 1243 OG SER A 87 35.080 -8.650 7.119 1.00 12.35 O ATOM 0 H SER A 87 34.104 -6.453 5.796 1.00 10.16 H new ATOM 0 HA SER A 87 36.524 -6.426 7.355 1.00 11.17 H new ATOM 0 HB2 SER A 87 35.569 -8.291 5.147 1.00 11.77 H new ATOM 0 HB3 SER A 87 36.931 -8.586 6.210 1.00 11.77 H new ATOM 0 HG SER A 87 34.239 -8.146 7.124 1.00 12.35 H new ATOM 1249 N MET A 88 36.564 -5.381 4.287 1.00 9.91 N ATOM 1250 CA MET A 88 37.381 -4.678 3.300 1.00 9.62 C ATOM 1251 C MET A 88 37.962 -3.414 3.915 1.00 9.52 C ATOM 1252 O MET A 88 39.015 -2.928 3.502 1.00 9.66 O ATOM 1253 CB MET A 88 36.553 -4.302 2.067 1.00 8.63 C ATOM 1254 CG MET A 88 36.104 -5.484 1.224 1.00 8.93 C ATOM 1255 SD MET A 88 37.483 -6.436 0.553 1.00 10.15 S ATOM 1256 CE MET A 88 38.282 -5.203 -0.476 1.00 10.33 C ATOM 0 H MET A 88 35.561 -5.347 4.102 1.00 9.91 H new ATOM 0 HA MET A 88 38.186 -5.346 2.992 1.00 9.62 H new ATOM 0 HB2 MET A 88 35.672 -3.748 2.392 1.00 8.63 H new ATOM 0 HB3 MET A 88 37.140 -3.629 1.442 1.00 8.63 H new ATOM 0 HG2 MET A 88 35.479 -6.139 1.831 1.00 8.93 H new ATOM 0 HG3 MET A 88 35.485 -5.123 0.403 1.00 8.93 H new ATOM 0 HE1 MET A 88 38.939 -5.697 -1.192 1.00 10.33 H new ATOM 0 HE2 MET A 88 37.525 -4.631 -1.013 1.00 10.33 H new ATOM 0 HE3 MET A 88 38.868 -4.530 0.151 1.00 10.33 H new ATOM 1266 N GLY A 89 37.261 -2.892 4.908 1.00 9.41 N ATOM 1267 CA GLY A 89 37.683 -1.675 5.564 1.00 9.53 C ATOM 1268 C GLY A 89 36.570 -0.647 5.629 1.00 8.82 C ATOM 1269 O GLY A 89 36.787 0.495 6.042 1.00 9.04 O ATOM 0 H GLY A 89 36.398 -3.295 5.274 1.00 9.41 H new ATOM 0 HA2 GLY A 89 38.022 -1.907 6.574 1.00 9.53 H new ATOM 0 HA3 GLY A 89 38.535 -1.253 5.031 1.00 9.53 H new ATOM 1273 N PHE A 90 35.378 -1.053 5.211 1.00 8.10 N ATOM 1274 CA PHE A 90 34.216 -0.177 5.239 1.00 7.50 C ATOM 1275 C PHE A 90 33.363 -0.476 6.465 1.00 8.05 C ATOM 1276 O PHE A 90 33.748 -1.281 7.311 1.00 8.89 O ATOM 1277 CB PHE A 90 33.410 -0.352 3.945 1.00 6.45 C ATOM 1278 CG PHE A 90 34.199 0.010 2.717 1.00 6.07 C ATOM 1279 CD1 PHE A 90 34.816 1.247 2.612 1.00 6.07 C ATOM 1280 CD2 PHE A 90 34.316 -0.883 1.663 1.00 5.98 C ATOM 1281 CE1 PHE A 90 35.535 1.584 1.481 1.00 5.89 C ATOM 1282 CE2 PHE A 90 35.032 -0.549 0.528 1.00 5.84 C ATOM 1283 CZ PHE A 90 35.675 0.675 0.456 1.00 5.76 C ATOM 0 H PHE A 90 35.191 -1.987 4.847 1.00 8.10 H new ATOM 0 HA PHE A 90 34.542 0.861 5.305 1.00 7.50 H new ATOM 0 HB2 PHE A 90 33.077 -1.387 3.866 1.00 6.45 H new ATOM 0 HB3 PHE A 90 32.515 0.268 3.993 1.00 6.45 H new ATOM 0 HD1 PHE A 90 34.734 1.955 3.423 1.00 6.07 H new ATOM 0 HD2 PHE A 90 33.842 -1.851 1.729 1.00 5.98 H new ATOM 0 HE1 PHE A 90 35.988 2.561 1.401 1.00 5.89 H new ATOM 0 HE2 PHE A 90 35.089 -1.241 -0.299 1.00 5.84 H new ATOM 0 HZ PHE A 90 36.285 0.916 -0.402 1.00 5.76 H new ATOM 1293 N GLN A 91 32.227 0.191 6.576 1.00 7.71 N ATOM 1294 CA GLN A 91 31.283 -0.085 7.643 1.00 8.28 C ATOM 1295 C GLN A 91 30.343 -1.204 7.237 1.00 7.66 C ATOM 1296 O GLN A 91 30.096 -1.408 6.051 1.00 6.72 O ATOM 1297 CB GLN A 91 30.454 1.154 7.955 1.00 8.59 C ATOM 1298 CG GLN A 91 31.176 2.212 8.754 1.00 9.30 C ATOM 1299 CD GLN A 91 30.341 3.465 8.915 1.00 9.79 C ATOM 1300 OE1 GLN A 91 29.521 3.792 8.061 1.00 10.05 O ATOM 1301 NE2 GLN A 91 30.540 4.175 10.010 1.00 10.16 N ATOM 0 H GLN A 91 31.936 0.931 5.937 1.00 7.71 H new ATOM 0 HA GLN A 91 31.851 -0.379 8.526 1.00 8.28 H new ATOM 0 HB2 GLN A 91 30.116 1.594 7.017 1.00 8.59 H new ATOM 0 HB3 GLN A 91 29.563 0.849 8.503 1.00 8.59 H new ATOM 0 HG2 GLN A 91 31.429 1.815 9.737 1.00 9.30 H new ATOM 0 HG3 GLN A 91 32.115 2.462 8.260 1.00 9.30 H new ATOM 0 HE21 GLN A 91 31.230 3.871 10.697 1.00 10.16 H new ATOM 0 HE22 GLN A 91 30.003 5.028 10.169 1.00 10.16 H new ATOM 1310 N ARG A 92 29.812 -1.916 8.215 1.00 8.25 N ATOM 1311 CA ARG A 92 28.753 -2.878 7.958 1.00 7.79 C ATOM 1312 C ARG A 92 27.513 -2.139 7.483 1.00 7.08 C ATOM 1313 O ARG A 92 26.930 -2.470 6.460 1.00 6.21 O ATOM 1314 CB ARG A 92 28.414 -3.652 9.221 1.00 8.69 C ATOM 1315 CG ARG A 92 27.288 -4.644 9.018 1.00 8.30 C ATOM 1316 CD ARG A 92 26.433 -4.773 10.261 1.00 8.98 C ATOM 1317 NE ARG A 92 27.197 -5.251 11.409 1.00 10.14 N ATOM 1318 CZ ARG A 92 26.687 -5.420 12.627 1.00 10.93 C ATOM 1319 NH1 ARG A 92 25.391 -5.240 12.845 1.00 10.74 N ATOM 1320 NH2 ARG A 92 27.476 -5.790 13.627 1.00 11.98 N ATOM 0 H ARG A 92 30.095 -1.847 9.192 1.00 8.25 H new ATOM 0 HA ARG A 92 29.094 -3.578 7.195 1.00 7.79 H new ATOM 0 HB2 ARG A 92 29.302 -4.183 9.566 1.00 8.69 H new ATOM 0 HB3 ARG A 92 28.136 -2.951 10.008 1.00 8.69 H new ATOM 0 HG2 ARG A 92 26.668 -4.326 8.180 1.00 8.30 H new ATOM 0 HG3 ARG A 92 27.702 -5.618 8.757 1.00 8.30 H new ATOM 0 HD2 ARG A 92 25.992 -3.805 10.498 1.00 8.98 H new ATOM 0 HD3 ARG A 92 25.609 -5.459 10.064 1.00 8.98 H new ATOM 0 HE ARG A 92 28.184 -5.469 11.269 1.00 10.14 H new ATOM 0 HH11 ARG A 92 24.777 -4.970 12.076 1.00 10.74 H new ATOM 0 HH12 ARG A 92 25.008 -5.372 13.781 1.00 10.74 H new ATOM 0 HH21 ARG A 92 28.471 -5.944 13.462 1.00 11.98 H new ATOM 0 HH22 ARG A 92 27.088 -5.920 14.561 1.00 11.98 H new ATOM 1334 N ASN A 93 27.125 -1.132 8.250 1.00 7.66 N ATOM 1335 CA ASN A 93 25.977 -0.296 7.911 1.00 7.40 C ATOM 1336 C ASN A 93 26.189 0.401 6.574 1.00 6.66 C ATOM 1337 O ASN A 93 25.263 0.513 5.770 1.00 6.20 O ATOM 1338 CB ASN A 93 25.739 0.736 9.008 1.00 8.50 C ATOM 1339 CG ASN A 93 24.531 1.616 8.735 1.00 8.62 C ATOM 1340 OD1 ASN A 93 23.401 1.258 9.067 1.00 8.59 O ATOM 1341 ND2 ASN A 93 24.764 2.784 8.154 1.00 9.02 N ATOM 0 H ASN A 93 27.591 -0.870 9.119 1.00 7.66 H new ATOM 0 HA ASN A 93 25.099 -0.937 7.827 1.00 7.40 H new ATOM 0 HB2 ASN A 93 25.602 0.223 9.960 1.00 8.50 H new ATOM 0 HB3 ASN A 93 26.625 1.363 9.109 1.00 8.50 H new ATOM 0 HD21 ASN A 93 23.992 3.424 7.967 1.00 9.02 H new ATOM 0 HD22 ASN A 93 25.716 3.044 7.894 1.00 9.02 H new ATOM 1348 N GLN A 94 27.415 0.858 6.333 1.00 6.68 N ATOM 1349 CA GLN A 94 27.751 1.472 5.054 1.00 6.08 C ATOM 1350 C GLN A 94 27.629 0.441 3.943 1.00 5.11 C ATOM 1351 O GLN A 94 27.188 0.747 2.838 1.00 4.70 O ATOM 1352 CB GLN A 94 29.153 2.070 5.112 1.00 6.39 C ATOM 1353 CG GLN A 94 29.792 2.328 3.756 1.00 5.72 C ATOM 1354 CD GLN A 94 30.848 3.411 3.830 1.00 6.13 C ATOM 1355 OE1 GLN A 94 30.557 4.591 3.637 1.00 6.28 O ATOM 1356 NE2 GLN A 94 32.081 3.021 4.104 1.00 6.56 N ATOM 0 H GLN A 94 28.185 0.815 7.000 1.00 6.68 H new ATOM 0 HA GLN A 94 27.054 2.282 4.842 1.00 6.08 H new ATOM 0 HB2 GLN A 94 29.110 3.010 5.662 1.00 6.39 H new ATOM 0 HB3 GLN A 94 29.797 1.398 5.679 1.00 6.39 H new ATOM 0 HG2 GLN A 94 30.241 1.407 3.384 1.00 5.72 H new ATOM 0 HG3 GLN A 94 29.023 2.619 3.041 1.00 5.72 H new ATOM 0 HE21 GLN A 94 32.281 2.033 4.258 1.00 6.56 H new ATOM 0 HE22 GLN A 94 32.832 3.708 4.162 1.00 6.56 H new ATOM 1365 N ALA A 95 28.005 -0.788 4.263 1.00 5.10 N ATOM 1366 CA ALA A 95 27.845 -1.902 3.352 1.00 4.58 C ATOM 1367 C ALA A 95 26.365 -2.177 3.100 1.00 4.24 C ATOM 1368 O ALA A 95 25.964 -2.455 1.971 1.00 3.93 O ATOM 1369 CB ALA A 95 28.532 -3.127 3.924 1.00 5.22 C ATOM 0 H ALA A 95 28.427 -1.036 5.158 1.00 5.10 H new ATOM 0 HA ALA A 95 28.306 -1.654 2.396 1.00 4.58 H new ATOM 0 HB1 ALA A 95 28.411 -3.965 3.238 1.00 5.22 H new ATOM 0 HB2 ALA A 95 29.593 -2.919 4.060 1.00 5.22 H new ATOM 0 HB3 ALA A 95 28.086 -3.378 4.886 1.00 5.22 H new ATOM 1375 N ILE A 96 25.559 -2.083 4.157 1.00 4.61 N ATOM 1376 CA ILE A 96 24.118 -2.248 4.035 1.00 4.48 C ATOM 1377 C ILE A 96 23.545 -1.230 3.060 1.00 4.45 C ATOM 1378 O ILE A 96 22.836 -1.586 2.119 1.00 4.33 O ATOM 1379 CB ILE A 96 23.393 -2.116 5.398 1.00 5.19 C ATOM 1380 CG1 ILE A 96 23.419 -3.444 6.143 1.00 5.44 C ATOM 1381 CG2 ILE A 96 21.956 -1.651 5.214 1.00 5.34 C ATOM 1382 CD1 ILE A 96 24.117 -3.375 7.476 1.00 6.39 C ATOM 0 H ILE A 96 25.883 -1.893 5.105 1.00 4.61 H new ATOM 0 HA ILE A 96 23.949 -3.257 3.660 1.00 4.48 H new ATOM 0 HB ILE A 96 23.922 -1.366 5.986 1.00 5.19 H new ATOM 0 HG12 ILE A 96 22.395 -3.785 6.296 1.00 5.44 H new ATOM 0 HG13 ILE A 96 23.914 -4.190 5.521 1.00 5.44 H new ATOM 0 HG21 ILE A 96 21.473 -1.568 6.188 1.00 5.34 H new ATOM 0 HG22 ILE A 96 21.948 -0.679 4.721 1.00 5.34 H new ATOM 0 HG23 ILE A 96 21.416 -2.373 4.602 1.00 5.34 H new ATOM 0 HD11 ILE A 96 24.096 -4.357 7.949 1.00 6.39 H new ATOM 0 HD12 ILE A 96 25.151 -3.064 7.329 1.00 6.39 H new ATOM 0 HD13 ILE A 96 23.609 -2.654 8.116 1.00 6.39 H new ATOM 1394 N GLN A 97 23.869 0.032 3.288 1.00 4.95 N ATOM 1395 CA GLN A 97 23.380 1.110 2.440 1.00 5.42 C ATOM 1396 C GLN A 97 23.796 0.896 0.994 1.00 5.09 C ATOM 1397 O GLN A 97 22.992 1.049 0.070 1.00 5.57 O ATOM 1398 CB GLN A 97 23.898 2.452 2.924 1.00 6.13 C ATOM 1399 CG GLN A 97 23.367 3.613 2.108 1.00 6.88 C ATOM 1400 CD GLN A 97 23.543 4.953 2.791 1.00 7.78 C ATOM 1401 OE1 GLN A 97 24.485 5.163 3.555 1.00 8.13 O ATOM 1402 NE2 GLN A 97 22.622 5.862 2.530 1.00 8.36 N ATOM 0 H GLN A 97 24.469 0.337 4.054 1.00 4.95 H new ATOM 0 HA GLN A 97 22.292 1.106 2.497 1.00 5.42 H new ATOM 0 HB2 GLN A 97 23.618 2.589 3.968 1.00 6.13 H new ATOM 0 HB3 GLN A 97 24.987 2.453 2.883 1.00 6.13 H new ATOM 0 HG2 GLN A 97 23.876 3.634 1.144 1.00 6.88 H new ATOM 0 HG3 GLN A 97 22.308 3.452 1.906 1.00 6.88 H new ATOM 0 HE21 GLN A 97 21.858 5.645 1.890 1.00 8.36 H new ATOM 0 HE22 GLN A 97 22.674 6.782 2.968 1.00 8.36 H new ATOM 1411 N ALA A 98 25.052 0.526 0.811 1.00 4.57 N ATOM 1412 CA ALA A 98 25.581 0.266 -0.510 1.00 4.55 C ATOM 1413 C ALA A 98 24.804 -0.855 -1.182 1.00 4.70 C ATOM 1414 O ALA A 98 24.279 -0.676 -2.276 1.00 5.41 O ATOM 1415 CB ALA A 98 27.058 -0.078 -0.425 1.00 4.17 C ATOM 0 H ALA A 98 25.725 0.399 1.567 1.00 4.57 H new ATOM 0 HA ALA A 98 25.471 1.166 -1.115 1.00 4.55 H new ATOM 0 HB1 ALA A 98 27.445 -0.272 -1.426 1.00 4.17 H new ATOM 0 HB2 ALA A 98 27.601 0.757 0.019 1.00 4.17 H new ATOM 0 HB3 ALA A 98 27.190 -0.966 0.193 1.00 4.17 H new ATOM 1421 N LEU A 99 24.686 -1.993 -0.502 1.00 4.31 N ATOM 1422 CA LEU A 99 23.965 -3.139 -1.046 1.00 4.67 C ATOM 1423 C LEU A 99 22.505 -2.805 -1.320 1.00 5.10 C ATOM 1424 O LEU A 99 21.911 -3.345 -2.242 1.00 5.77 O ATOM 1425 CB LEU A 99 24.037 -4.330 -0.104 1.00 4.44 C ATOM 1426 CG LEU A 99 25.430 -4.890 0.138 1.00 4.61 C ATOM 1427 CD1 LEU A 99 25.408 -5.858 1.295 1.00 4.82 C ATOM 1428 CD2 LEU A 99 25.951 -5.582 -1.103 1.00 5.40 C ATOM 0 H LEU A 99 25.080 -2.145 0.426 1.00 4.31 H new ATOM 0 HA LEU A 99 24.449 -3.396 -1.988 1.00 4.67 H new ATOM 0 HB2 LEU A 99 23.610 -4.038 0.856 1.00 4.44 H new ATOM 0 HB3 LEU A 99 23.409 -5.126 -0.504 1.00 4.44 H new ATOM 0 HG LEU A 99 26.095 -4.061 0.379 1.00 4.61 H new ATOM 0 HD11 LEU A 99 26.411 -6.252 1.459 1.00 4.82 H new ATOM 0 HD12 LEU A 99 25.069 -5.343 2.194 1.00 4.82 H new ATOM 0 HD13 LEU A 99 24.728 -6.679 1.069 1.00 4.82 H new ATOM 0 HD21 LEU A 99 26.949 -5.975 -0.908 1.00 5.40 H new ATOM 0 HD22 LEU A 99 25.284 -6.401 -1.370 1.00 5.40 H new ATOM 0 HD23 LEU A 99 25.996 -4.868 -1.926 1.00 5.40 H new ATOM 1440 N ARG A 100 21.920 -1.936 -0.504 1.00 5.01 N ATOM 1441 CA ARG A 100 20.552 -1.479 -0.737 1.00 5.73 C ATOM 1442 C ARG A 100 20.424 -0.897 -2.134 1.00 6.63 C ATOM 1443 O ARG A 100 19.518 -1.239 -2.894 1.00 7.33 O ATOM 1444 CB ARG A 100 20.159 -0.418 0.285 1.00 5.96 C ATOM 1445 CG ARG A 100 19.795 -0.969 1.651 1.00 5.58 C ATOM 1446 CD ARG A 100 19.684 0.156 2.662 1.00 6.19 C ATOM 1447 NE ARG A 100 19.011 -0.248 3.895 1.00 6.32 N ATOM 1448 CZ ARG A 100 18.506 0.615 4.776 1.00 7.08 C ATOM 1449 NH1 ARG A 100 18.546 1.922 4.524 1.00 7.71 N ATOM 1450 NH2 ARG A 100 17.939 0.164 5.889 1.00 7.36 N ATOM 0 H ARG A 100 22.367 -1.535 0.320 1.00 5.01 H new ATOM 0 HA ARG A 100 19.887 -2.337 -0.636 1.00 5.73 H new ATOM 0 HB2 ARG A 100 20.985 0.284 0.398 1.00 5.96 H new ATOM 0 HB3 ARG A 100 19.312 0.147 -0.103 1.00 5.96 H new ATOM 0 HG2 ARG A 100 18.850 -1.509 1.593 1.00 5.58 H new ATOM 0 HG3 ARG A 100 20.551 -1.684 1.975 1.00 5.58 H new ATOM 0 HD2 ARG A 100 20.683 0.521 2.902 1.00 6.19 H new ATOM 0 HD3 ARG A 100 19.140 0.988 2.214 1.00 6.19 H new ATOM 0 HE ARG A 100 18.923 -1.245 4.092 1.00 6.32 H new ATOM 0 HH11 ARG A 100 18.963 2.262 3.657 1.00 7.71 H new ATOM 0 HH12 ARG A 100 18.160 2.583 5.198 1.00 7.71 H new ATOM 0 HH21 ARG A 100 17.891 -0.839 6.067 1.00 7.36 H new ATOM 0 HH22 ARG A 100 17.551 0.821 6.566 1.00 7.36 H new ATOM 1464 N ALA A 101 21.362 -0.027 -2.461 1.00 6.70 N ATOM 1465 CA ALA A 101 21.394 0.626 -3.756 1.00 7.62 C ATOM 1466 C ALA A 101 21.777 -0.357 -4.865 1.00 7.91 C ATOM 1467 O ALA A 101 21.204 -0.332 -5.957 1.00 8.88 O ATOM 1468 CB ALA A 101 22.381 1.775 -3.699 1.00 7.61 C ATOM 0 H ALA A 101 22.122 0.246 -1.837 1.00 6.70 H new ATOM 0 HA ALA A 101 20.399 1.004 -3.989 1.00 7.62 H new ATOM 0 HB1 ALA A 101 22.414 2.274 -4.667 1.00 7.61 H new ATOM 0 HB2 ALA A 101 22.068 2.486 -2.935 1.00 7.61 H new ATOM 0 HB3 ALA A 101 23.372 1.392 -3.454 1.00 7.61 H new ATOM 1474 N THR A 102 22.738 -1.223 -4.575 1.00 7.24 N ATOM 1475 CA THR A 102 23.269 -2.154 -5.562 1.00 7.76 C ATOM 1476 C THR A 102 22.410 -3.405 -5.707 1.00 8.12 C ATOM 1477 O THR A 102 22.722 -4.289 -6.506 1.00 8.79 O ATOM 1478 CB THR A 102 24.697 -2.568 -5.182 1.00 7.19 C ATOM 1479 OG1 THR A 102 24.677 -3.440 -4.045 1.00 6.44 O ATOM 1480 CG2 THR A 102 25.496 -1.328 -4.844 1.00 6.79 C ATOM 0 H THR A 102 23.170 -1.300 -3.654 1.00 7.24 H new ATOM 0 HA THR A 102 23.266 -1.633 -6.520 1.00 7.76 H new ATOM 0 HB THR A 102 25.152 -3.093 -6.022 1.00 7.19 H new ATOM 0 HG1 THR A 102 25.453 -4.037 -4.077 1.00 6.44 H new ATOM 0 HG21 THR A 102 26.513 -1.613 -4.573 1.00 6.79 H new ATOM 0 HG22 THR A 102 25.523 -0.666 -5.709 1.00 6.79 H new ATOM 0 HG23 THR A 102 25.028 -0.811 -4.006 1.00 6.79 H new ATOM 1488 N ASN A 103 21.331 -3.460 -4.930 1.00 7.78 N ATOM 1489 CA ASN A 103 20.466 -4.628 -4.867 1.00 8.03 C ATOM 1490 C ASN A 103 21.263 -5.848 -4.427 1.00 7.69 C ATOM 1491 O ASN A 103 21.412 -6.807 -5.182 1.00 8.43 O ATOM 1492 CB ASN A 103 19.782 -4.891 -6.211 1.00 9.26 C ATOM 1493 CG ASN A 103 18.855 -3.767 -6.639 1.00 9.66 C ATOM 1494 OD1 ASN A 103 18.669 -3.527 -7.834 1.00 10.09 O ATOM 1495 ND2 ASN A 103 18.254 -3.086 -5.675 1.00 9.74 N ATOM 0 H ASN A 103 21.034 -2.693 -4.327 1.00 7.78 H new ATOM 0 HA ASN A 103 19.686 -4.430 -4.132 1.00 8.03 H new ATOM 0 HB2 ASN A 103 20.544 -5.037 -6.977 1.00 9.26 H new ATOM 0 HB3 ASN A 103 19.213 -5.818 -6.147 1.00 9.26 H new ATOM 0 HD21 ASN A 103 17.610 -2.331 -5.909 1.00 9.74 H new ATOM 0 HD22 ASN A 103 18.436 -3.317 -4.698 1.00 9.74 H new ATOM 1502 N ASN A 104 21.783 -5.771 -3.196 1.00 6.74 N ATOM 1503 CA ASN A 104 22.595 -6.823 -2.568 1.00 6.57 C ATOM 1504 C ASN A 104 23.720 -7.321 -3.475 1.00 7.31 C ATOM 1505 O ASN A 104 24.113 -8.488 -3.407 1.00 7.80 O ATOM 1506 CB ASN A 104 21.745 -8.008 -2.058 1.00 6.81 C ATOM 1507 CG ASN A 104 20.833 -8.644 -3.098 1.00 7.28 C ATOM 1508 OD1 ASN A 104 19.650 -8.310 -3.190 1.00 7.71 O ATOM 1509 ND2 ASN A 104 21.369 -9.561 -3.890 1.00 7.45 N ATOM 0 H ASN A 104 21.649 -4.958 -2.595 1.00 6.74 H new ATOM 0 HA ASN A 104 23.055 -6.349 -1.701 1.00 6.57 H new ATOM 0 HB2 ASN A 104 22.415 -8.774 -1.668 1.00 6.81 H new ATOM 0 HB3 ASN A 104 21.134 -7.664 -1.223 1.00 6.81 H new ATOM 0 HD21 ASN A 104 20.799 -10.015 -4.604 1.00 7.45 H new ATOM 0 HD22 ASN A 104 22.352 -9.813 -3.786 1.00 7.45 H new ATOM 1516 N ASN A 105 24.259 -6.426 -4.294 1.00 7.54 N ATOM 1517 CA ASN A 105 25.420 -6.749 -5.113 1.00 8.24 C ATOM 1518 C ASN A 105 26.677 -6.330 -4.376 1.00 7.62 C ATOM 1519 O ASN A 105 26.908 -5.143 -4.147 1.00 6.99 O ATOM 1520 CB ASN A 105 25.365 -6.042 -6.467 1.00 8.91 C ATOM 1521 CG ASN A 105 26.407 -6.592 -7.430 1.00 9.80 C ATOM 1522 OD1 ASN A 105 27.533 -6.106 -7.492 1.00 10.00 O ATOM 1523 ND2 ASN A 105 26.047 -7.624 -8.174 1.00 10.49 N ATOM 0 H ASN A 105 23.912 -5.474 -4.408 1.00 7.54 H new ATOM 0 HA ASN A 105 25.424 -7.824 -5.295 1.00 8.24 H new ATOM 0 HB2 ASN A 105 24.371 -6.160 -6.899 1.00 8.91 H new ATOM 0 HB3 ASN A 105 25.527 -4.973 -6.327 1.00 8.91 H new ATOM 0 HD21 ASN A 105 26.713 -8.041 -8.824 1.00 10.49 H new ATOM 0 HD22 ASN A 105 25.103 -8.003 -8.098 1.00 10.49 H new ATOM 1530 N LEU A 106 27.467 -7.327 -4.005 1.00 7.99 N ATOM 1531 CA LEU A 106 28.679 -7.142 -3.211 1.00 7.70 C ATOM 1532 C LEU A 106 29.647 -6.181 -3.883 1.00 7.69 C ATOM 1533 O LEU A 106 30.010 -5.148 -3.324 1.00 6.94 O ATOM 1534 CB LEU A 106 29.354 -8.505 -3.011 1.00 8.64 C ATOM 1535 CG LEU A 106 30.699 -8.511 -2.265 1.00 8.79 C ATOM 1536 CD1 LEU A 106 30.851 -9.809 -1.497 1.00 9.54 C ATOM 1537 CD2 LEU A 106 31.866 -8.351 -3.227 1.00 9.40 C ATOM 0 H LEU A 106 27.284 -8.301 -4.249 1.00 7.99 H new ATOM 0 HA LEU A 106 28.401 -6.711 -2.249 1.00 7.70 H new ATOM 0 HB2 LEU A 106 28.662 -9.150 -2.469 1.00 8.64 H new ATOM 0 HB3 LEU A 106 29.508 -8.955 -3.992 1.00 8.64 H new ATOM 0 HG LEU A 106 30.707 -7.667 -1.575 1.00 8.79 H new ATOM 0 HD11 LEU A 106 31.805 -9.810 -0.970 1.00 9.54 H new ATOM 0 HD12 LEU A 106 30.038 -9.903 -0.777 1.00 9.54 H new ATOM 0 HD13 LEU A 106 30.819 -10.649 -2.191 1.00 9.54 H new ATOM 0 HD21 LEU A 106 32.802 -8.359 -2.668 1.00 9.40 H new ATOM 0 HD22 LEU A 106 31.863 -9.173 -3.942 1.00 9.40 H new ATOM 0 HD23 LEU A 106 31.770 -7.405 -3.761 1.00 9.40 H new ATOM 1549 N GLU A 107 30.078 -6.553 -5.072 1.00 8.63 N ATOM 1550 CA GLU A 107 31.040 -5.760 -5.834 1.00 8.84 C ATOM 1551 C GLU A 107 30.536 -4.348 -6.076 1.00 8.19 C ATOM 1552 O GLU A 107 31.273 -3.379 -5.889 1.00 7.74 O ATOM 1553 CB GLU A 107 31.346 -6.442 -7.160 1.00 10.06 C ATOM 1554 CG GLU A 107 32.099 -7.742 -6.988 1.00 10.88 C ATOM 1555 CD GLU A 107 33.566 -7.533 -6.666 1.00 11.25 C ATOM 1556 OE1 GLU A 107 33.883 -6.690 -5.799 1.00 11.09 O ATOM 1557 OE2 GLU A 107 34.415 -8.206 -7.288 1.00 11.82 O ATOM 0 H GLU A 107 29.777 -7.408 -5.541 1.00 8.63 H new ATOM 0 HA GLU A 107 31.954 -5.689 -5.245 1.00 8.84 H new ATOM 0 HB2 GLU A 107 30.412 -6.635 -7.689 1.00 10.06 H new ATOM 0 HB3 GLU A 107 31.932 -5.767 -7.784 1.00 10.06 H new ATOM 0 HG2 GLU A 107 31.636 -8.322 -6.190 1.00 10.88 H new ATOM 0 HG3 GLU A 107 32.012 -8.330 -7.901 1.00 10.88 H new ATOM 1564 N ARG A 108 29.281 -4.232 -6.484 1.00 8.29 N ATOM 1565 CA ARG A 108 28.691 -2.932 -6.744 1.00 8.02 C ATOM 1566 C ARG A 108 28.542 -2.142 -5.457 1.00 6.88 C ATOM 1567 O ARG A 108 28.546 -0.922 -5.480 1.00 6.69 O ATOM 1568 CB ARG A 108 27.330 -3.075 -7.403 1.00 8.62 C ATOM 1569 CG ARG A 108 26.811 -1.804 -8.038 1.00 8.99 C ATOM 1570 CD ARG A 108 25.442 -2.049 -8.620 1.00 9.70 C ATOM 1571 NE ARG A 108 25.493 -2.925 -9.790 1.00 10.72 N ATOM 1572 CZ ARG A 108 24.514 -3.754 -10.150 1.00 11.45 C ATOM 1573 NH1 ARG A 108 23.359 -3.760 -9.498 1.00 11.31 N ATOM 1574 NH2 ARG A 108 24.673 -4.555 -11.193 1.00 12.41 N ATOM 0 H ARG A 108 28.655 -5.022 -6.641 1.00 8.29 H new ATOM 0 HA ARG A 108 29.360 -2.398 -7.419 1.00 8.02 H new ATOM 0 HB2 ARG A 108 27.388 -3.851 -8.166 1.00 8.62 H new ATOM 0 HB3 ARG A 108 26.612 -3.415 -6.657 1.00 8.62 H new ATOM 0 HG2 ARG A 108 26.764 -1.008 -7.295 1.00 8.99 H new ATOM 0 HG3 ARG A 108 27.494 -1.471 -8.819 1.00 8.99 H new ATOM 0 HD2 ARG A 108 24.800 -2.495 -7.861 1.00 9.70 H new ATOM 0 HD3 ARG A 108 24.991 -1.097 -8.899 1.00 9.70 H new ATOM 0 HE ARG A 108 26.333 -2.900 -10.368 1.00 10.72 H new ATOM 0 HH11 ARG A 108 23.213 -3.126 -8.713 1.00 11.31 H new ATOM 0 HH12 ARG A 108 22.616 -4.399 -9.782 1.00 11.31 H new ATOM 0 HH21 ARG A 108 25.545 -4.537 -11.721 1.00 12.41 H new ATOM 0 HH22 ARG A 108 23.923 -5.189 -11.468 1.00 12.41 H new ATOM 1588 N ALA A 109 28.375 -2.834 -4.338 1.00 6.30 N ATOM 1589 CA ALA A 109 28.272 -2.167 -3.056 1.00 5.34 C ATOM 1590 C ALA A 109 29.566 -1.445 -2.759 1.00 5.09 C ATOM 1591 O ALA A 109 29.574 -0.260 -2.455 1.00 4.76 O ATOM 1592 CB ALA A 109 27.971 -3.157 -1.950 1.00 5.03 C ATOM 0 H ALA A 109 28.309 -3.851 -4.296 1.00 6.30 H new ATOM 0 HA ALA A 109 27.452 -1.451 -3.103 1.00 5.34 H new ATOM 0 HB1 ALA A 109 27.899 -2.629 -0.999 1.00 5.03 H new ATOM 0 HB2 ALA A 109 27.026 -3.659 -2.159 1.00 5.03 H new ATOM 0 HB3 ALA A 109 28.771 -3.896 -1.895 1.00 5.03 H new ATOM 1598 N LEU A 110 30.665 -2.178 -2.873 1.00 5.51 N ATOM 1599 CA LEU A 110 31.992 -1.607 -2.731 1.00 5.52 C ATOM 1600 C LEU A 110 32.185 -0.512 -3.768 1.00 5.67 C ATOM 1601 O LEU A 110 32.767 0.531 -3.491 1.00 5.40 O ATOM 1602 CB LEU A 110 33.032 -2.704 -2.924 1.00 6.35 C ATOM 1603 CG LEU A 110 32.860 -3.918 -2.018 1.00 6.65 C ATOM 1604 CD1 LEU A 110 33.624 -5.103 -2.575 1.00 7.78 C ATOM 1605 CD2 LEU A 110 33.331 -3.594 -0.616 1.00 6.44 C ATOM 0 H LEU A 110 30.660 -3.180 -3.066 1.00 5.51 H new ATOM 0 HA LEU A 110 32.107 -1.176 -1.737 1.00 5.52 H new ATOM 0 HB2 LEU A 110 33.000 -3.036 -3.962 1.00 6.35 H new ATOM 0 HB3 LEU A 110 34.022 -2.280 -2.755 1.00 6.35 H new ATOM 0 HG LEU A 110 31.802 -4.179 -1.977 1.00 6.65 H new ATOM 0 HD11 LEU A 110 33.492 -5.962 -1.918 1.00 7.78 H new ATOM 0 HD12 LEU A 110 33.247 -5.345 -3.569 1.00 7.78 H new ATOM 0 HD13 LEU A 110 34.683 -4.855 -2.640 1.00 7.78 H new ATOM 0 HD21 LEU A 110 33.203 -4.469 0.022 1.00 6.44 H new ATOM 0 HD22 LEU A 110 34.384 -3.314 -0.642 1.00 6.44 H new ATOM 0 HD23 LEU A 110 32.745 -2.766 -0.218 1.00 6.44 H new ATOM 1617 N ASP A 111 31.671 -0.774 -4.964 1.00 6.32 N ATOM 1618 CA ASP A 111 31.676 0.197 -6.058 1.00 6.81 C ATOM 1619 C ASP A 111 30.969 1.478 -5.636 1.00 6.41 C ATOM 1620 O ASP A 111 31.456 2.584 -5.869 1.00 6.49 O ATOM 1621 CB ASP A 111 30.944 -0.374 -7.277 1.00 7.75 C ATOM 1622 CG ASP A 111 31.400 0.250 -8.580 1.00 8.59 C ATOM 1623 OD1 ASP A 111 32.582 0.079 -8.949 1.00 9.04 O ATOM 1624 OD2 ASP A 111 30.578 0.909 -9.251 1.00 8.94 O ATOM 0 H ASP A 111 31.238 -1.665 -5.205 1.00 6.32 H new ATOM 0 HA ASP A 111 32.715 0.411 -6.310 1.00 6.81 H new ATOM 0 HB2 ASP A 111 31.104 -1.451 -7.320 1.00 7.75 H new ATOM 0 HB3 ASP A 111 29.872 -0.215 -7.159 1.00 7.75 H new ATOM 1629 N TRP A 112 29.809 1.297 -5.019 1.00 6.15 N ATOM 1630 CA TRP A 112 28.971 2.387 -4.554 1.00 6.12 C ATOM 1631 C TRP A 112 29.644 3.120 -3.410 1.00 5.57 C ATOM 1632 O TRP A 112 29.706 4.348 -3.388 1.00 5.97 O ATOM 1633 CB TRP A 112 27.620 1.838 -4.102 1.00 6.03 C ATOM 1634 CG TRP A 112 26.594 2.910 -3.890 1.00 6.48 C ATOM 1635 CD1 TRP A 112 26.367 3.617 -2.744 1.00 6.79 C ATOM 1636 CD2 TRP A 112 25.662 3.406 -4.859 1.00 7.05 C ATOM 1637 NE1 TRP A 112 25.356 4.524 -2.942 1.00 7.45 N ATOM 1638 CE2 TRP A 112 24.903 4.413 -4.229 1.00 7.60 C ATOM 1639 CE3 TRP A 112 25.390 3.097 -6.193 1.00 7.41 C ATOM 1640 CZ2 TRP A 112 23.900 5.114 -4.891 1.00 8.41 C ATOM 1641 CZ3 TRP A 112 24.393 3.794 -6.849 1.00 8.25 C ATOM 1642 CH2 TRP A 112 23.655 4.790 -6.196 1.00 8.69 C ATOM 0 H TRP A 112 29.421 0.374 -4.826 1.00 6.15 H new ATOM 0 HA TRP A 112 28.818 3.090 -5.373 1.00 6.12 H new ATOM 0 HB2 TRP A 112 27.252 1.133 -4.848 1.00 6.03 H new ATOM 0 HB3 TRP A 112 27.752 1.281 -3.175 1.00 6.03 H new ATOM 0 HD1 TRP A 112 26.905 3.482 -1.817 1.00 6.79 H new ATOM 0 HE1 TRP A 112 25.000 5.176 -2.243 1.00 7.45 H new ATOM 0 HE3 TRP A 112 25.949 2.327 -6.703 1.00 7.41 H new ATOM 0 HZ2 TRP A 112 23.335 5.887 -4.391 1.00 8.41 H new ATOM 0 HZ3 TRP A 112 24.179 3.567 -7.883 1.00 8.25 H new ATOM 0 HH2 TRP A 112 22.878 5.312 -6.734 1.00 8.69 H new ATOM 1653 N ILE A 113 30.155 2.347 -2.467 1.00 4.92 N ATOM 1654 CA ILE A 113 30.862 2.886 -1.323 1.00 4.71 C ATOM 1655 C ILE A 113 32.095 3.670 -1.780 1.00 4.95 C ATOM 1656 O ILE A 113 32.400 4.741 -1.254 1.00 5.25 O ATOM 1657 CB ILE A 113 31.272 1.753 -0.356 1.00 4.41 C ATOM 1658 CG1 ILE A 113 30.025 1.048 0.200 1.00 4.22 C ATOM 1659 CG2 ILE A 113 32.118 2.305 0.778 1.00 4.75 C ATOM 1660 CD1 ILE A 113 30.320 -0.018 1.225 1.00 4.30 C ATOM 0 H ILE A 113 30.090 1.329 -2.475 1.00 4.92 H new ATOM 0 HA ILE A 113 30.194 3.566 -0.793 1.00 4.71 H new ATOM 0 HB ILE A 113 31.866 1.024 -0.907 1.00 4.41 H new ATOM 0 HG12 ILE A 113 29.369 1.795 0.648 1.00 4.22 H new ATOM 0 HG13 ILE A 113 29.477 0.598 -0.628 1.00 4.22 H new ATOM 0 HG21 ILE A 113 32.399 1.494 1.450 1.00 4.75 H new ATOM 0 HG22 ILE A 113 33.018 2.766 0.370 1.00 4.75 H new ATOM 0 HG23 ILE A 113 31.546 3.052 1.329 1.00 4.75 H new ATOM 0 HD11 ILE A 113 29.386 -0.464 1.565 1.00 4.30 H new ATOM 0 HD12 ILE A 113 30.949 -0.788 0.778 1.00 4.30 H new ATOM 0 HD13 ILE A 113 30.839 0.427 2.074 1.00 4.30 H new ATOM 1672 N PHE A 114 32.777 3.140 -2.789 1.00 5.07 N ATOM 1673 CA PHE A 114 33.945 3.793 -3.374 1.00 5.37 C ATOM 1674 C PHE A 114 33.536 5.040 -4.151 1.00 5.85 C ATOM 1675 O PHE A 114 34.336 5.953 -4.356 1.00 6.10 O ATOM 1676 CB PHE A 114 34.685 2.813 -4.294 1.00 5.75 C ATOM 1677 CG PHE A 114 35.976 3.339 -4.860 1.00 6.09 C ATOM 1678 CD1 PHE A 114 37.125 3.383 -4.086 1.00 6.17 C ATOM 1679 CD2 PHE A 114 36.041 3.787 -6.171 1.00 6.53 C ATOM 1680 CE1 PHE A 114 38.312 3.865 -4.608 1.00 6.62 C ATOM 1681 CE2 PHE A 114 37.224 4.269 -6.697 1.00 6.91 C ATOM 1682 CZ PHE A 114 38.362 4.308 -5.914 1.00 6.92 C ATOM 0 H PHE A 114 32.538 2.249 -3.224 1.00 5.07 H new ATOM 0 HA PHE A 114 34.612 4.098 -2.568 1.00 5.37 H new ATOM 0 HB2 PHE A 114 34.893 1.899 -3.737 1.00 5.75 H new ATOM 0 HB3 PHE A 114 34.026 2.541 -5.119 1.00 5.75 H new ATOM 0 HD1 PHE A 114 37.093 3.037 -3.063 1.00 6.17 H new ATOM 0 HD2 PHE A 114 35.155 3.759 -6.789 1.00 6.53 H new ATOM 0 HE1 PHE A 114 39.200 3.895 -3.993 1.00 6.62 H new ATOM 0 HE2 PHE A 114 37.259 4.615 -7.719 1.00 6.91 H new ATOM 0 HZ PHE A 114 39.288 4.684 -6.323 1.00 6.92 H new