USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 560 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 36 MET CE :methyl 180:sc= -0.23 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= -2.37! K(o=-2.6!,f=-0.96) USER MOD Set 2.1: A 28 THR OG1 : rot -136:sc= -0.0387! USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.3!) USER MOD Single : A 5 THR OG1 : rot -75:sc= 0.0773! USER MOD Single : A 8 GLN : amide:sc=-0.00434 X(o=-0.0043,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= -0.12 (180deg=-0.128) USER MOD Single : A 17 SER OG : rot -160:sc= -0.965 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 90:sc= -2.45 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.43 K(o=-1.4,f=-5.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00319 USER MOD Single : A 49 GLN : amide:sc=-0.00879 X(o=-0.0088,f=-0.16) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.14) USER MOD Single : A 60 ASN : amide:sc= -3.39! C(o=-3.4!,f=-11!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 164:sc= -0.0699 (180deg=-0.299) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0133) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -23.152 -28.753 -3.350 1.00 0.00 N ATOM 2 CA MET A 0 -22.674 -27.780 -4.318 1.00 0.00 C ATOM 3 C MET A 0 -22.949 -26.352 -3.842 1.00 0.00 C ATOM 4 O MET A 0 -24.089 -26.003 -3.542 1.00 0.00 O ATOM 5 CB MET A 0 -23.368 -28.013 -5.662 1.00 0.00 C ATOM 6 CG MET A 0 -22.716 -27.180 -6.767 1.00 0.00 C ATOM 7 SD MET A 0 -23.964 -26.559 -7.881 1.00 0.00 S ATOM 8 CE MET A 0 -24.184 -24.917 -7.216 1.00 0.00 C ATOM 0 H1 MET A 0 -22.954 -29.713 -3.696 1.00 0.00 H new ATOM 0 H2 MET A 0 -22.668 -28.606 -2.441 1.00 0.00 H new ATOM 0 H3 MET A 0 -24.177 -28.637 -3.219 1.00 0.00 H new ATOM 0 HA MET A 0 -21.597 -27.905 -4.429 1.00 0.00 H new ATOM 0 HB2 MET A 0 -23.319 -29.070 -5.922 1.00 0.00 H new ATOM 0 HB3 MET A 0 -24.423 -27.753 -5.580 1.00 0.00 H new ATOM 0 HG2 MET A 0 -22.162 -26.350 -6.329 1.00 0.00 H new ATOM 0 HG3 MET A 0 -21.997 -27.788 -7.316 1.00 0.00 H new ATOM 0 HE1 MET A 0 -24.936 -24.386 -7.799 1.00 0.00 H new ATOM 0 HE2 MET A 0 -24.511 -24.985 -6.178 1.00 0.00 H new ATOM 0 HE3 MET A 0 -23.239 -24.376 -7.264 1.00 0.00 H new ATOM 18 N ALA A 1 -21.884 -25.565 -3.787 1.00 0.00 N ATOM 19 CA ALA A 1 -21.996 -24.183 -3.352 1.00 0.00 C ATOM 20 C ALA A 1 -20.598 -23.620 -3.091 1.00 0.00 C ATOM 21 O ALA A 1 -19.613 -24.356 -3.119 1.00 0.00 O ATOM 22 CB ALA A 1 -22.896 -24.108 -2.117 1.00 0.00 C ATOM 0 H ALA A 1 -20.939 -25.858 -4.037 1.00 0.00 H new ATOM 0 HA ALA A 1 -22.457 -23.572 -4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -22.980 -23.071 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -23.886 -24.492 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -22.464 -24.707 -1.315 1.00 0.00 H new ATOM 28 N ASP A 2 -20.556 -22.319 -2.843 1.00 0.00 N ATOM 29 CA ASP A 2 -19.294 -21.649 -2.577 1.00 0.00 C ATOM 30 C ASP A 2 -19.476 -20.674 -1.412 1.00 0.00 C ATOM 31 O ASP A 2 -20.440 -20.778 -0.655 1.00 0.00 O ATOM 32 CB ASP A 2 -18.828 -20.849 -3.794 1.00 0.00 C ATOM 33 CG ASP A 2 -17.318 -20.863 -4.038 1.00 0.00 C ATOM 34 OD1 ASP A 2 -16.585 -20.542 -3.078 1.00 0.00 O ATOM 35 OD2 ASP A 2 -16.930 -21.195 -5.179 1.00 0.00 O ATOM 0 H ASP A 2 -21.375 -21.711 -2.821 1.00 0.00 H new ATOM 0 HA ASP A 2 -18.551 -22.410 -2.340 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -19.328 -21.240 -4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -19.152 -19.815 -3.676 1.00 0.00 H new ATOM 40 N GLN A 3 -18.534 -19.748 -1.304 1.00 0.00 N ATOM 41 CA GLN A 3 -18.578 -18.755 -0.244 1.00 0.00 C ATOM 42 C GLN A 3 -17.771 -17.518 -0.642 1.00 0.00 C ATOM 43 O GLN A 3 -16.568 -17.609 -0.884 1.00 0.00 O ATOM 44 CB GLN A 3 -18.071 -19.340 1.076 1.00 0.00 C ATOM 45 CG GLN A 3 -18.619 -18.555 2.269 1.00 0.00 C ATOM 46 CD GLN A 3 -20.038 -19.008 2.618 1.00 0.00 C ATOM 47 OE1 GLN A 3 -20.410 -20.158 2.450 1.00 0.00 O ATOM 48 NE2 GLN A 3 -20.808 -18.043 3.113 1.00 0.00 N ATOM 0 H GLN A 3 -17.736 -19.665 -1.933 1.00 0.00 H new ATOM 0 HA GLN A 3 -19.615 -18.455 -0.096 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -18.372 -20.385 1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -16.981 -19.320 1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -17.967 -18.694 3.131 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -18.620 -17.490 2.039 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -20.434 -17.101 3.228 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -21.772 -18.245 3.378 1.00 0.00 H new ATOM 57 N LEU A 4 -18.465 -16.391 -0.698 1.00 0.00 N ATOM 58 CA LEU A 4 -17.827 -15.137 -1.062 1.00 0.00 C ATOM 59 C LEU A 4 -17.765 -14.226 0.165 1.00 0.00 C ATOM 60 O LEU A 4 -17.761 -14.704 1.299 1.00 0.00 O ATOM 61 CB LEU A 4 -18.535 -14.505 -2.262 1.00 0.00 C ATOM 62 CG LEU A 4 -20.016 -14.172 -2.068 1.00 0.00 C ATOM 63 CD1 LEU A 4 -20.266 -12.672 -2.231 1.00 0.00 C ATOM 64 CD2 LEU A 4 -20.892 -15.005 -3.006 1.00 0.00 C ATOM 0 H LEU A 4 -19.463 -16.320 -0.498 1.00 0.00 H new ATOM 0 HA LEU A 4 -16.800 -15.311 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -18.009 -13.588 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.444 -15.183 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 4 -20.295 -14.436 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -21.326 -12.462 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -19.685 -12.124 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -19.966 -12.360 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -21.940 -14.749 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -20.619 -14.796 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -20.742 -16.065 -2.799 1.00 0.00 H new ATOM 76 N THR A 5 -17.718 -12.929 -0.102 1.00 0.00 N ATOM 77 CA THR A 5 -17.657 -11.946 0.967 1.00 0.00 C ATOM 78 C THR A 5 -16.311 -12.028 1.690 1.00 0.00 C ATOM 79 O THR A 5 -15.307 -12.420 1.097 1.00 0.00 O ATOM 80 CB THR A 5 -18.856 -12.175 1.889 1.00 0.00 C ATOM 81 OG1 THR A 5 -18.375 -13.096 2.863 1.00 0.00 O ATOM 82 CG2 THR A 5 -19.993 -12.927 1.195 1.00 0.00 C ATOM 0 H THR A 5 -17.721 -12.536 -1.043 1.00 0.00 H new ATOM 0 HA THR A 5 -17.719 -10.931 0.575 1.00 0.00 H new ATOM 0 HB THR A 5 -19.223 -11.215 2.251 1.00 0.00 H new ATOM 0 HG1 THR A 5 -18.315 -13.990 2.466 1.00 0.00 H new ATOM 0 HG21 THR A 5 -20.819 -13.063 1.893 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.337 -12.353 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 5 -19.635 -13.901 0.862 1.00 0.00 H new ATOM 90 N GLU A 6 -16.334 -11.652 2.960 1.00 0.00 N ATOM 91 CA GLU A 6 -15.128 -11.678 3.770 1.00 0.00 C ATOM 92 C GLU A 6 -14.232 -12.846 3.352 1.00 0.00 C ATOM 93 O GLU A 6 -13.039 -12.664 3.115 1.00 0.00 O ATOM 94 CB GLU A 6 -15.469 -11.754 5.259 1.00 0.00 C ATOM 95 CG GLU A 6 -16.209 -10.496 5.718 1.00 0.00 C ATOM 96 CD GLU A 6 -16.385 -10.486 7.237 1.00 0.00 C ATOM 97 OE1 GLU A 6 -15.447 -10.013 7.915 1.00 0.00 O ATOM 98 OE2 GLU A 6 -17.454 -10.952 7.688 1.00 0.00 O ATOM 0 H GLU A 6 -17.169 -11.328 3.448 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.582 -10.749 3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.085 -12.633 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.554 -11.874 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.655 -9.610 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.185 -10.448 5.235 1.00 0.00 H new ATOM 105 N GLU A 7 -14.843 -14.019 3.273 1.00 0.00 N ATOM 106 CA GLU A 7 -14.116 -15.217 2.888 1.00 0.00 C ATOM 107 C GLU A 7 -13.090 -14.888 1.802 1.00 0.00 C ATOM 108 O GLU A 7 -11.957 -15.365 1.849 1.00 0.00 O ATOM 109 CB GLU A 7 -15.075 -16.314 2.422 1.00 0.00 C ATOM 110 CG GLU A 7 -16.008 -16.745 3.556 1.00 0.00 C ATOM 111 CD GLU A 7 -15.625 -18.128 4.086 1.00 0.00 C ATOM 112 OE1 GLU A 7 -15.549 -19.055 3.250 1.00 0.00 O ATOM 113 OE2 GLU A 7 -15.416 -18.228 5.314 1.00 0.00 O ATOM 0 H GLU A 7 -15.833 -14.165 3.469 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.584 -15.593 3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.664 -15.953 1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.506 -17.174 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.963 -16.016 4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.038 -16.761 3.198 1.00 0.00 H new ATOM 120 N GLN A 8 -13.523 -14.076 0.849 1.00 0.00 N ATOM 121 CA GLN A 8 -12.656 -13.678 -0.247 1.00 0.00 C ATOM 122 C GLN A 8 -11.615 -12.669 0.240 1.00 0.00 C ATOM 123 O GLN A 8 -10.422 -12.831 -0.013 1.00 0.00 O ATOM 124 CB GLN A 8 -13.470 -13.109 -1.411 1.00 0.00 C ATOM 125 CG GLN A 8 -13.137 -13.832 -2.718 1.00 0.00 C ATOM 126 CD GLN A 8 -14.411 -14.198 -3.482 1.00 0.00 C ATOM 127 OE1 GLN A 8 -15.253 -13.365 -3.772 1.00 0.00 O ATOM 128 NE2 GLN A 8 -14.505 -15.489 -3.789 1.00 0.00 N ATOM 0 H GLN A 8 -14.463 -13.683 0.813 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.133 -14.562 -0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.534 -13.208 -1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.264 -12.044 -1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.506 -13.196 -3.339 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.566 -14.735 -2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.763 -16.134 -3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.319 -15.834 -4.298 1.00 0.00 H new ATOM 137 N ILE A 9 -12.104 -11.648 0.928 1.00 0.00 N ATOM 138 CA ILE A 9 -11.230 -10.612 1.453 1.00 0.00 C ATOM 139 C ILE A 9 -10.137 -11.257 2.307 1.00 0.00 C ATOM 140 O ILE A 9 -8.961 -10.922 2.173 1.00 0.00 O ATOM 141 CB ILE A 9 -12.044 -9.549 2.194 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.574 -8.141 1.824 1.00 0.00 C ATOM 143 CG2 ILE A 9 -12.008 -9.787 3.705 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.363 -7.596 0.631 1.00 0.00 C ATOM 0 H ILE A 9 -13.094 -11.516 1.134 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.730 -10.087 0.639 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.084 -9.634 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.696 -7.476 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.511 -8.160 1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.594 -9.018 4.209 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.428 -10.768 3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.977 -9.745 4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.010 -6.594 0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.220 -8.250 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.423 -7.556 0.883 1.00 0.00 H new ATOM 156 N ALA A 10 -10.564 -12.169 3.167 1.00 0.00 N ATOM 157 CA ALA A 10 -9.636 -12.864 4.044 1.00 0.00 C ATOM 158 C ALA A 10 -8.336 -13.140 3.286 1.00 0.00 C ATOM 159 O ALA A 10 -7.250 -13.052 3.858 1.00 0.00 O ATOM 160 CB ALA A 10 -10.290 -14.145 4.567 1.00 0.00 C ATOM 0 H ALA A 10 -11.540 -12.443 3.276 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.389 -12.248 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.594 -14.666 5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.193 -13.892 5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.549 -14.790 3.728 1.00 0.00 H new ATOM 166 N GLU A 11 -8.489 -13.469 2.012 1.00 0.00 N ATOM 167 CA GLU A 11 -7.340 -13.759 1.171 1.00 0.00 C ATOM 168 C GLU A 11 -6.556 -12.476 0.883 1.00 0.00 C ATOM 169 O GLU A 11 -5.341 -12.433 1.068 1.00 0.00 O ATOM 170 CB GLU A 11 -7.770 -14.441 -0.129 1.00 0.00 C ATOM 171 CG GLU A 11 -8.615 -15.684 0.158 1.00 0.00 C ATOM 172 CD GLU A 11 -9.287 -16.197 -1.117 1.00 0.00 C ATOM 173 OE1 GLU A 11 -8.565 -16.813 -1.931 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.508 -15.961 -1.250 1.00 0.00 O ATOM 0 H GLU A 11 -9.391 -13.541 1.542 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.688 -14.449 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.341 -13.741 -0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.889 -14.721 -0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.985 -16.466 0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.374 -15.448 0.904 1.00 0.00 H new ATOM 181 N PHE A 12 -7.284 -11.464 0.436 1.00 0.00 N ATOM 182 CA PHE A 12 -6.671 -10.184 0.121 1.00 0.00 C ATOM 183 C PHE A 12 -5.728 -9.738 1.240 1.00 0.00 C ATOM 184 O PHE A 12 -4.729 -9.067 0.983 1.00 0.00 O ATOM 185 CB PHE A 12 -7.806 -9.166 -0.010 1.00 0.00 C ATOM 186 CG PHE A 12 -8.510 -9.190 -1.368 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.441 -10.145 -1.634 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.205 -8.256 -2.309 1.00 0.00 C ATOM 189 CE1 PHE A 12 -10.095 -10.167 -2.894 1.00 0.00 C ATOM 190 CE2 PHE A 12 -8.859 -8.278 -3.569 1.00 0.00 C ATOM 191 CZ PHE A 12 -9.790 -9.233 -3.835 1.00 0.00 C ATOM 0 H PHE A 12 -8.292 -11.504 0.284 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.089 -10.265 -0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.541 -9.354 0.772 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.406 -8.167 0.163 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.683 -10.887 -0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.465 -7.498 -2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.835 -10.925 -3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.617 -7.536 -4.316 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.287 -9.250 -4.794 1.00 0.00 H new ATOM 201 N LYS A 13 -6.078 -10.128 2.456 1.00 0.00 N ATOM 202 CA LYS A 13 -5.274 -9.776 3.615 1.00 0.00 C ATOM 203 C LYS A 13 -3.792 -9.881 3.253 1.00 0.00 C ATOM 204 O LYS A 13 -3.055 -8.901 3.348 1.00 0.00 O ATOM 205 CB LYS A 13 -5.674 -10.627 4.822 1.00 0.00 C ATOM 206 CG LYS A 13 -7.023 -10.176 5.388 1.00 0.00 C ATOM 207 CD LYS A 13 -7.123 -10.490 6.882 1.00 0.00 C ATOM 208 CE LYS A 13 -8.355 -11.348 7.181 1.00 0.00 C ATOM 209 NZ LYS A 13 -8.037 -12.784 7.020 1.00 0.00 N ATOM 0 H LYS A 13 -6.907 -10.684 2.665 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.458 -8.742 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.730 -11.676 4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.908 -10.552 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.149 -9.105 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.831 -10.675 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.224 -11.012 7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.176 -9.561 7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.700 -11.158 8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.169 -11.072 6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.888 -13.351 7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.713 -12.961 6.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.287 -13.051 7.689 1.00 0.00 H new ATOM 223 N GLU A 14 -3.398 -11.079 2.845 1.00 0.00 N ATOM 224 CA GLU A 14 -2.017 -11.325 2.468 1.00 0.00 C ATOM 225 C GLU A 14 -1.546 -10.273 1.462 1.00 0.00 C ATOM 226 O GLU A 14 -0.425 -9.775 1.559 1.00 0.00 O ATOM 227 CB GLU A 14 -1.845 -12.737 1.906 1.00 0.00 C ATOM 228 CG GLU A 14 -2.164 -13.793 2.966 1.00 0.00 C ATOM 229 CD GLU A 14 -1.331 -15.057 2.749 1.00 0.00 C ATOM 230 OE1 GLU A 14 -1.806 -15.926 1.985 1.00 0.00 O ATOM 231 OE2 GLU A 14 -0.238 -15.128 3.352 1.00 0.00 O ATOM 0 H GLU A 14 -4.012 -11.890 2.767 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.398 -11.248 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.500 -12.872 1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.822 -12.869 1.552 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.966 -13.388 3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.225 -14.041 2.929 1.00 0.00 H new ATOM 238 N ALA A 15 -2.425 -9.965 0.520 1.00 0.00 N ATOM 239 CA ALA A 15 -2.113 -8.981 -0.502 1.00 0.00 C ATOM 240 C ALA A 15 -1.556 -7.721 0.162 1.00 0.00 C ATOM 241 O ALA A 15 -0.458 -7.275 -0.168 1.00 0.00 O ATOM 242 CB ALA A 15 -3.364 -8.697 -1.336 1.00 0.00 C ATOM 0 H ALA A 15 -3.354 -10.380 0.443 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.349 -9.361 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.130 -7.959 -2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.702 -9.618 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.152 -8.311 -0.690 1.00 0.00 H new ATOM 248 N PHE A 16 -2.338 -7.182 1.086 1.00 0.00 N ATOM 249 CA PHE A 16 -1.936 -5.982 1.799 1.00 0.00 C ATOM 250 C PHE A 16 -0.534 -6.139 2.391 1.00 0.00 C ATOM 251 O PHE A 16 0.225 -5.174 2.465 1.00 0.00 O ATOM 252 CB PHE A 16 -2.938 -5.782 2.938 1.00 0.00 C ATOM 253 CG PHE A 16 -2.774 -4.457 3.685 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.299 -3.314 3.167 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.105 -4.422 4.869 1.00 0.00 C ATOM 256 CE1 PHE A 16 -3.146 -2.084 3.861 1.00 0.00 C ATOM 257 CE2 PHE A 16 -1.953 -3.192 5.562 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.477 -2.050 5.044 1.00 0.00 C ATOM 0 H PHE A 16 -3.248 -7.555 1.357 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.920 -5.132 1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.949 -5.836 2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.834 -6.603 3.648 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.832 -3.342 2.228 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.690 -5.329 5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.561 -1.176 3.449 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.421 -3.164 6.501 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.362 -1.115 5.572 1.00 0.00 H new ATOM 268 N SER A 17 -0.233 -7.364 2.799 1.00 0.00 N ATOM 269 CA SER A 17 1.064 -7.660 3.382 1.00 0.00 C ATOM 270 C SER A 17 2.178 -7.267 2.409 1.00 0.00 C ATOM 271 O SER A 17 3.106 -6.549 2.780 1.00 0.00 O ATOM 272 CB SER A 17 1.178 -9.141 3.748 1.00 0.00 C ATOM 273 OG SER A 17 -0.054 -9.668 4.231 1.00 0.00 O ATOM 0 H SER A 17 -0.865 -8.162 2.737 1.00 0.00 H new ATOM 0 HA SER A 17 1.168 -7.078 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.496 -9.707 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.949 -9.268 4.508 1.00 0.00 H new ATOM 0 HG SER A 17 0.118 -10.487 4.740 1.00 0.00 H new ATOM 279 N LEU A 18 2.049 -7.754 1.184 1.00 0.00 N ATOM 280 CA LEU A 18 3.033 -7.462 0.155 1.00 0.00 C ATOM 281 C LEU A 18 3.497 -6.011 0.296 1.00 0.00 C ATOM 282 O LEU A 18 4.693 -5.745 0.404 1.00 0.00 O ATOM 283 CB LEU A 18 2.476 -7.798 -1.229 1.00 0.00 C ATOM 284 CG LEU A 18 3.076 -9.028 -1.914 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.215 -10.268 -1.666 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.297 -8.772 -3.406 1.00 0.00 C ATOM 0 H LEU A 18 1.278 -8.349 0.880 1.00 0.00 H new ATOM 0 HA LEU A 18 3.914 -8.092 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.400 -7.946 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.627 -6.936 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 18 4.054 -9.222 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.664 -11.128 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.153 -10.460 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.214 -10.101 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.724 -9.662 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.344 -8.539 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.981 -7.933 -3.534 1.00 0.00 H new ATOM 298 N PHE A 19 2.525 -5.109 0.291 1.00 0.00 N ATOM 299 CA PHE A 19 2.819 -3.692 0.417 1.00 0.00 C ATOM 300 C PHE A 19 3.259 -3.348 1.841 1.00 0.00 C ATOM 301 O PHE A 19 4.239 -2.630 2.035 1.00 0.00 O ATOM 302 CB PHE A 19 1.527 -2.938 0.098 1.00 0.00 C ATOM 303 CG PHE A 19 1.179 -2.900 -1.391 1.00 0.00 C ATOM 304 CD1 PHE A 19 1.849 -2.059 -2.225 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.200 -3.707 -1.882 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.526 -2.025 -3.607 1.00 0.00 C ATOM 307 CE2 PHE A 19 -0.122 -3.672 -3.264 1.00 0.00 C ATOM 308 CZ PHE A 19 0.547 -2.832 -4.098 1.00 0.00 C ATOM 0 H PHE A 19 1.534 -5.333 0.202 1.00 0.00 H new ATOM 0 HA PHE A 19 3.628 -3.418 -0.260 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.704 -3.403 0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.615 -1.916 0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.626 -1.418 -1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.332 -4.374 -1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.058 -1.358 -4.269 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.899 -4.313 -3.653 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.301 -2.805 -5.149 1.00 0.00 H new ATOM 318 N ASP A 20 2.513 -3.875 2.800 1.00 0.00 N ATOM 319 CA ASP A 20 2.814 -3.633 4.201 1.00 0.00 C ATOM 320 C ASP A 20 3.891 -4.615 4.665 1.00 0.00 C ATOM 321 O ASP A 20 3.587 -5.748 5.032 1.00 0.00 O ATOM 322 CB ASP A 20 1.575 -3.843 5.075 1.00 0.00 C ATOM 323 CG ASP A 20 1.836 -3.820 6.582 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.943 -3.380 6.960 1.00 0.00 O ATOM 325 OD2 ASP A 20 0.922 -4.243 7.323 1.00 0.00 O ATOM 0 H ASP A 20 1.700 -4.469 2.635 1.00 0.00 H new ATOM 0 HA ASP A 20 3.155 -2.602 4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.845 -3.070 4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.123 -4.800 4.814 1.00 0.00 H new ATOM 330 N LYS A 21 5.129 -4.144 4.632 1.00 0.00 N ATOM 331 CA LYS A 21 6.254 -4.967 5.044 1.00 0.00 C ATOM 332 C LYS A 21 6.163 -5.232 6.548 1.00 0.00 C ATOM 333 O LYS A 21 6.062 -6.381 6.974 1.00 0.00 O ATOM 334 CB LYS A 21 7.574 -4.325 4.611 1.00 0.00 C ATOM 335 CG LYS A 21 8.710 -5.351 4.617 1.00 0.00 C ATOM 336 CD LYS A 21 9.992 -4.745 5.190 1.00 0.00 C ATOM 337 CE LYS A 21 11.068 -5.817 5.380 1.00 0.00 C ATOM 338 NZ LYS A 21 12.005 -5.426 6.457 1.00 0.00 N ATOM 0 H LYS A 21 5.378 -3.203 4.326 1.00 0.00 H new ATOM 0 HA LYS A 21 6.219 -5.936 4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.466 -3.902 3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.819 -3.501 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.418 -6.219 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.892 -5.703 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.362 -3.968 4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.777 -4.267 6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.600 -6.771 5.625 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.615 -5.961 4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.728 -6.164 6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.465 -4.527 6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.481 -5.312 7.348 1.00 0.00 H new ATOM 352 N ASP A 22 6.201 -4.149 7.310 1.00 0.00 N ATOM 353 CA ASP A 22 6.124 -4.250 8.758 1.00 0.00 C ATOM 354 C ASP A 22 4.944 -5.146 9.140 1.00 0.00 C ATOM 355 O ASP A 22 4.918 -5.711 10.232 1.00 0.00 O ATOM 356 CB ASP A 22 5.900 -2.876 9.394 1.00 0.00 C ATOM 357 CG ASP A 22 4.957 -1.951 8.622 1.00 0.00 C ATOM 358 OD1 ASP A 22 4.910 -2.097 7.382 1.00 0.00 O ATOM 359 OD2 ASP A 22 4.305 -1.120 9.290 1.00 0.00 O ATOM 0 H ASP A 22 6.284 -3.197 6.952 1.00 0.00 H new ATOM 0 HA ASP A 22 7.065 -4.665 9.118 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.503 -3.018 10.399 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.865 -2.380 9.500 1.00 0.00 H new ATOM 364 N GLY A 23 3.997 -5.247 8.219 1.00 0.00 N ATOM 365 CA GLY A 23 2.817 -6.065 8.446 1.00 0.00 C ATOM 366 C GLY A 23 2.066 -5.608 9.698 1.00 0.00 C ATOM 367 O GLY A 23 1.227 -6.338 10.224 1.00 0.00 O ATOM 0 H GLY A 23 4.022 -4.776 7.314 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.157 -6.006 7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.109 -7.110 8.554 1.00 0.00 H new ATOM 371 N ASP A 24 2.394 -4.403 10.140 1.00 0.00 N ATOM 372 CA ASP A 24 1.761 -3.840 11.320 1.00 0.00 C ATOM 373 C ASP A 24 0.256 -3.717 11.076 1.00 0.00 C ATOM 374 O ASP A 24 -0.535 -3.759 12.018 1.00 0.00 O ATOM 375 CB ASP A 24 2.306 -2.443 11.625 1.00 0.00 C ATOM 376 CG ASP A 24 2.070 -1.403 10.528 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.646 -1.823 9.430 1.00 0.00 O ATOM 378 OD2 ASP A 24 2.318 -0.212 10.813 1.00 0.00 O ATOM 0 H ASP A 24 3.091 -3.801 9.702 1.00 0.00 H new ATOM 0 HA ASP A 24 1.970 -4.500 12.162 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.850 -2.085 12.548 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.378 -2.519 11.808 1.00 0.00 H new ATOM 383 N GLY A 25 -0.096 -3.568 9.808 1.00 0.00 N ATOM 384 CA GLY A 25 -1.493 -3.438 9.428 1.00 0.00 C ATOM 385 C GLY A 25 -1.738 -2.126 8.680 1.00 0.00 C ATOM 386 O GLY A 25 -2.884 -1.759 8.424 1.00 0.00 O ATOM 0 H GLY A 25 0.562 -3.534 9.030 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.782 -4.279 8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.121 -3.476 10.318 1.00 0.00 H new ATOM 390 N THR A 26 -0.644 -1.456 8.352 1.00 0.00 N ATOM 391 CA THR A 26 -0.726 -0.192 7.639 1.00 0.00 C ATOM 392 C THR A 26 0.344 -0.126 6.547 1.00 0.00 C ATOM 393 O THR A 26 1.393 -0.759 6.661 1.00 0.00 O ATOM 394 CB THR A 26 -0.618 0.938 8.664 1.00 0.00 C ATOM 395 OG1 THR A 26 0.374 0.482 9.580 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.880 1.075 9.519 1.00 0.00 C ATOM 0 H THR A 26 0.304 -1.764 8.567 1.00 0.00 H new ATOM 0 HA THR A 26 -1.681 -0.091 7.122 1.00 0.00 H new ATOM 0 HB THR A 26 -0.425 1.879 8.148 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.258 0.777 9.278 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.751 1.891 10.230 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.734 1.286 8.876 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.055 0.146 10.061 1.00 0.00 H new ATOM 404 N ILE A 27 0.042 0.646 5.513 1.00 0.00 N ATOM 405 CA ILE A 27 0.965 0.804 4.402 1.00 0.00 C ATOM 406 C ILE A 27 1.298 2.287 4.227 1.00 0.00 C ATOM 407 O ILE A 27 0.482 3.054 3.718 1.00 0.00 O ATOM 408 CB ILE A 27 0.401 0.147 3.140 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.169 -1.349 3.358 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.300 0.418 1.933 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.675 -1.943 2.229 1.00 0.00 C ATOM 0 H ILE A 27 -0.829 1.169 5.421 1.00 0.00 H new ATOM 0 HA ILE A 27 1.903 0.289 4.610 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.569 0.595 2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.127 -1.865 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.332 -1.508 4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.877 -0.060 1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.370 1.493 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.295 0.014 2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.825 -3.008 2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.642 -1.441 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.160 -1.804 1.278 1.00 0.00 H new ATOM 423 N THR A 28 2.498 2.646 4.659 1.00 0.00 N ATOM 424 CA THR A 28 2.948 4.024 4.557 1.00 0.00 C ATOM 425 C THR A 28 3.384 4.337 3.124 1.00 0.00 C ATOM 426 O THR A 28 2.896 3.725 2.175 1.00 0.00 O ATOM 427 CB THR A 28 4.057 4.236 5.589 1.00 0.00 C ATOM 428 OG1 THR A 28 4.437 5.599 5.416 1.00 0.00 O ATOM 429 CG2 THR A 28 5.327 3.451 5.255 1.00 0.00 C ATOM 0 H THR A 28 3.172 2.007 5.080 1.00 0.00 H new ATOM 0 HA THR A 28 2.140 4.722 4.778 1.00 0.00 H new ATOM 0 HB THR A 28 3.696 3.940 6.574 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.414 5.670 5.426 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.082 3.637 6.019 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.098 2.386 5.223 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.707 3.770 4.284 1.00 0.00 H new ATOM 437 N THR A 29 4.297 5.291 3.012 1.00 0.00 N ATOM 438 CA THR A 29 4.803 5.693 1.711 1.00 0.00 C ATOM 439 C THR A 29 5.893 4.728 1.241 1.00 0.00 C ATOM 440 O THR A 29 5.786 4.140 0.166 1.00 0.00 O ATOM 441 CB THR A 29 5.281 7.143 1.818 1.00 0.00 C ATOM 442 OG1 THR A 29 5.814 7.237 3.136 1.00 0.00 O ATOM 443 CG2 THR A 29 4.122 8.143 1.811 1.00 0.00 C ATOM 0 H THR A 29 4.699 5.797 3.801 1.00 0.00 H new ATOM 0 HA THR A 29 4.022 5.647 0.952 1.00 0.00 H new ATOM 0 HB THR A 29 5.956 7.365 0.992 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.148 8.145 3.290 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.515 9.157 1.889 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.560 8.042 0.882 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.464 7.943 2.657 1.00 0.00 H new ATOM 451 N LYS A 30 6.918 4.593 2.071 1.00 0.00 N ATOM 452 CA LYS A 30 8.026 3.709 1.754 1.00 0.00 C ATOM 453 C LYS A 30 7.484 2.318 1.421 1.00 0.00 C ATOM 454 O LYS A 30 7.690 1.815 0.317 1.00 0.00 O ATOM 455 CB LYS A 30 9.055 3.713 2.886 1.00 0.00 C ATOM 456 CG LYS A 30 10.462 3.440 2.349 1.00 0.00 C ATOM 457 CD LYS A 30 11.528 3.988 3.300 1.00 0.00 C ATOM 458 CE LYS A 30 12.920 3.488 2.910 1.00 0.00 C ATOM 459 NZ LYS A 30 13.947 4.499 3.246 1.00 0.00 N ATOM 0 H LYS A 30 7.004 5.081 2.962 1.00 0.00 H new ATOM 0 HA LYS A 30 8.556 4.065 0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.037 4.676 3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.791 2.957 3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.603 2.367 2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.576 3.899 1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.511 5.078 3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.301 3.682 4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.136 2.555 3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.949 3.272 1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.886 4.143 2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.748 5.380 2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.930 4.685 4.269 1.00 0.00 H new ATOM 473 N GLU A 31 6.801 1.735 2.395 1.00 0.00 N ATOM 474 CA GLU A 31 6.227 0.411 2.219 1.00 0.00 C ATOM 475 C GLU A 31 5.433 0.346 0.913 1.00 0.00 C ATOM 476 O GLU A 31 5.229 -0.733 0.360 1.00 0.00 O ATOM 477 CB GLU A 31 5.351 0.031 3.414 1.00 0.00 C ATOM 478 CG GLU A 31 6.167 0.005 4.707 1.00 0.00 C ATOM 479 CD GLU A 31 5.255 0.077 5.933 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.041 -0.157 5.751 1.00 0.00 O ATOM 481 OE2 GLU A 31 5.792 0.364 7.025 1.00 0.00 O ATOM 0 H GLU A 31 6.632 2.155 3.309 1.00 0.00 H new ATOM 0 HA GLU A 31 7.040 -0.312 2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.533 0.745 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.902 -0.948 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.764 -0.906 4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.864 0.843 4.718 1.00 0.00 H new ATOM 488 N LEU A 32 5.007 1.516 0.458 1.00 0.00 N ATOM 489 CA LEU A 32 4.239 1.605 -0.772 1.00 0.00 C ATOM 490 C LEU A 32 5.197 1.747 -1.957 1.00 0.00 C ATOM 491 O LEU A 32 4.918 1.254 -3.048 1.00 0.00 O ATOM 492 CB LEU A 32 3.206 2.730 -0.679 1.00 0.00 C ATOM 493 CG LEU A 32 2.091 2.706 -1.726 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.764 2.267 -1.104 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.974 4.057 -2.434 1.00 0.00 C ATOM 0 H LEU A 32 5.179 2.409 0.919 1.00 0.00 H new ATOM 0 HA LEU A 32 3.667 0.691 -0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.749 2.696 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.729 3.683 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 32 2.351 1.967 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.012 2.259 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.872 1.266 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.485 2.963 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.174 4.012 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.749 4.833 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.915 4.290 -2.932 1.00 0.00 H new ATOM 507 N GLY A 33 6.308 2.424 -1.701 1.00 0.00 N ATOM 508 CA GLY A 33 7.309 2.637 -2.732 1.00 0.00 C ATOM 509 C GLY A 33 8.303 1.475 -2.779 1.00 0.00 C ATOM 510 O GLY A 33 9.188 1.445 -3.633 1.00 0.00 O ATOM 0 H GLY A 33 6.536 2.832 -0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.821 2.743 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.842 3.568 -2.540 1.00 0.00 H new ATOM 514 N THR A 34 8.124 0.547 -1.851 1.00 0.00 N ATOM 515 CA THR A 34 8.995 -0.614 -1.776 1.00 0.00 C ATOM 516 C THR A 34 8.560 -1.674 -2.790 1.00 0.00 C ATOM 517 O THR A 34 9.269 -1.939 -3.759 1.00 0.00 O ATOM 518 CB THR A 34 8.989 -1.117 -0.331 1.00 0.00 C ATOM 519 OG1 THR A 34 10.191 -0.591 0.225 1.00 0.00 O ATOM 520 CG2 THR A 34 9.167 -2.634 -0.238 1.00 0.00 C ATOM 0 H THR A 34 7.389 0.575 -1.145 1.00 0.00 H new ATOM 0 HA THR A 34 10.020 -0.357 -2.042 1.00 0.00 H new ATOM 0 HB THR A 34 8.053 -0.832 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.266 -0.868 1.162 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.155 -2.938 0.809 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.354 -3.129 -0.769 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.119 -2.917 -0.688 1.00 0.00 H new ATOM 528 N VAL A 35 7.396 -2.252 -2.531 1.00 0.00 N ATOM 529 CA VAL A 35 6.858 -3.277 -3.409 1.00 0.00 C ATOM 530 C VAL A 35 7.061 -2.853 -4.865 1.00 0.00 C ATOM 531 O VAL A 35 7.168 -3.698 -5.752 1.00 0.00 O ATOM 532 CB VAL A 35 5.391 -3.545 -3.064 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.609 -3.990 -4.301 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.273 -4.575 -1.940 1.00 0.00 C ATOM 0 H VAL A 35 6.811 -2.030 -1.726 1.00 0.00 H new ATOM 0 HA VAL A 35 7.389 -4.218 -3.267 1.00 0.00 H new ATOM 0 HB VAL A 35 4.953 -2.611 -2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.570 -4.174 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.652 -3.208 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.047 -4.906 -4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.221 -4.748 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.735 -5.511 -2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.779 -4.202 -1.050 1.00 0.00 H new ATOM 544 N MET A 36 7.108 -1.544 -5.066 1.00 0.00 N ATOM 545 CA MET A 36 7.297 -0.998 -6.399 1.00 0.00 C ATOM 546 C MET A 36 8.669 -1.378 -6.958 1.00 0.00 C ATOM 547 O MET A 36 8.781 -1.797 -8.110 1.00 0.00 O ATOM 548 CB MET A 36 7.169 0.526 -6.350 1.00 0.00 C ATOM 549 CG MET A 36 5.753 0.945 -5.951 1.00 0.00 C ATOM 550 SD MET A 36 4.990 1.860 -7.281 1.00 0.00 S ATOM 551 CE MET A 36 3.281 1.417 -7.022 1.00 0.00 C ATOM 0 H MET A 36 7.018 -0.846 -4.328 1.00 0.00 H new ATOM 0 HA MET A 36 6.531 -1.415 -7.053 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.887 0.932 -5.637 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.415 0.947 -7.325 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.157 0.063 -5.716 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.786 1.557 -5.050 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.660 1.906 -7.773 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.168 0.336 -7.107 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.969 1.738 -6.028 1.00 0.00 H new ATOM 561 N ARG A 37 9.680 -1.218 -6.117 1.00 0.00 N ATOM 562 CA ARG A 37 11.041 -1.539 -6.512 1.00 0.00 C ATOM 563 C ARG A 37 11.194 -3.049 -6.711 1.00 0.00 C ATOM 564 O ARG A 37 12.159 -3.503 -7.324 1.00 0.00 O ATOM 565 CB ARG A 37 12.047 -1.066 -5.461 1.00 0.00 C ATOM 566 CG ARG A 37 11.856 0.420 -5.150 1.00 0.00 C ATOM 567 CD ARG A 37 12.654 0.828 -3.910 1.00 0.00 C ATOM 568 NE ARG A 37 11.737 1.319 -2.857 1.00 0.00 N ATOM 569 CZ ARG A 37 12.142 1.908 -1.724 1.00 0.00 C ATOM 570 NH1 ARG A 37 13.449 2.083 -1.489 1.00 0.00 N ATOM 571 NH2 ARG A 37 11.239 2.323 -0.825 1.00 0.00 N ATOM 0 H ARG A 37 9.584 -0.870 -5.163 1.00 0.00 H new ATOM 0 HA ARG A 37 11.244 -1.022 -7.450 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.927 -1.651 -4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.062 -1.239 -5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.174 1.018 -6.004 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.798 0.629 -4.991 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.225 -0.023 -3.539 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.373 1.605 -4.169 1.00 0.00 H new ATOM 0 HE ARG A 37 10.734 1.202 -3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.137 1.768 -2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.756 2.532 -0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.244 2.190 -1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.547 2.771 0.038 1.00 0.00 H new ATOM 585 N SER A 38 10.228 -3.784 -6.182 1.00 0.00 N ATOM 586 CA SER A 38 10.243 -5.233 -6.293 1.00 0.00 C ATOM 587 C SER A 38 9.340 -5.678 -7.445 1.00 0.00 C ATOM 588 O SER A 38 8.985 -6.852 -7.542 1.00 0.00 O ATOM 589 CB SER A 38 9.798 -5.890 -4.985 1.00 0.00 C ATOM 590 OG SER A 38 10.900 -6.177 -4.130 1.00 0.00 O ATOM 0 H SER A 38 9.429 -3.404 -5.675 1.00 0.00 H new ATOM 0 HA SER A 38 11.266 -5.550 -6.498 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.100 -5.232 -4.468 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.261 -6.813 -5.207 1.00 0.00 H new ATOM 0 HG SER A 38 10.574 -6.594 -3.305 1.00 0.00 H new ATOM 596 N LEU A 39 8.995 -4.718 -8.290 1.00 0.00 N ATOM 597 CA LEU A 39 8.141 -4.996 -9.432 1.00 0.00 C ATOM 598 C LEU A 39 8.720 -4.317 -10.675 1.00 0.00 C ATOM 599 O LEU A 39 8.815 -4.933 -11.735 1.00 0.00 O ATOM 600 CB LEU A 39 6.695 -4.596 -9.130 1.00 0.00 C ATOM 601 CG LEU A 39 5.614 -5.356 -9.902 1.00 0.00 C ATOM 602 CD1 LEU A 39 4.753 -6.196 -8.956 1.00 0.00 C ATOM 603 CD2 LEU A 39 4.771 -4.400 -10.748 1.00 0.00 C ATOM 0 H LEU A 39 9.292 -3.746 -8.207 1.00 0.00 H new ATOM 0 HA LEU A 39 8.116 -6.066 -9.636 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.516 -4.733 -8.064 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.582 -3.532 -9.338 1.00 0.00 H new ATOM 0 HG LEU A 39 6.105 -6.046 -10.588 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.993 -6.726 -9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.383 -6.917 -8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.270 -5.544 -8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.010 -4.965 -11.287 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.289 -3.669 -10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.413 -3.884 -11.462 1.00 0.00 H new ATOM 615 N GLY A 40 9.092 -3.057 -10.502 1.00 0.00 N ATOM 616 CA GLY A 40 9.659 -2.288 -11.596 1.00 0.00 C ATOM 617 C GLY A 40 9.157 -0.843 -11.569 1.00 0.00 C ATOM 618 O GLY A 40 8.825 -0.278 -12.610 1.00 0.00 O ATOM 0 H GLY A 40 9.012 -2.550 -9.621 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.747 -2.300 -11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.394 -2.751 -12.546 1.00 0.00 H new ATOM 622 N GLN A 41 9.117 -0.287 -10.367 1.00 0.00 N ATOM 623 CA GLN A 41 8.661 1.081 -10.191 1.00 0.00 C ATOM 624 C GLN A 41 9.535 1.804 -9.163 1.00 0.00 C ATOM 625 O GLN A 41 10.469 1.219 -8.617 1.00 0.00 O ATOM 626 CB GLN A 41 7.187 1.119 -9.781 1.00 0.00 C ATOM 627 CG GLN A 41 6.276 1.093 -11.009 1.00 0.00 C ATOM 628 CD GLN A 41 4.912 0.489 -10.668 1.00 0.00 C ATOM 629 OE1 GLN A 41 4.611 -0.649 -10.990 1.00 0.00 O ATOM 630 NE2 GLN A 41 4.108 1.310 -9.999 1.00 0.00 N ATOM 0 H GLN A 41 9.393 -0.759 -9.506 1.00 0.00 H new ATOM 0 HA GLN A 41 8.752 1.600 -11.145 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.962 0.267 -9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.991 2.019 -9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.144 2.106 -11.390 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.746 0.513 -11.803 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.423 2.251 -9.761 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.176 0.999 -9.724 1.00 0.00 H new ATOM 639 N ASN A 42 9.200 3.064 -8.931 1.00 0.00 N ATOM 640 CA ASN A 42 9.942 3.873 -7.979 1.00 0.00 C ATOM 641 C ASN A 42 9.391 5.300 -7.989 1.00 0.00 C ATOM 642 O ASN A 42 10.095 6.238 -8.361 1.00 0.00 O ATOM 643 CB ASN A 42 11.425 3.935 -8.348 1.00 0.00 C ATOM 644 CG ASN A 42 12.222 4.699 -7.288 1.00 0.00 C ATOM 645 OD1 ASN A 42 11.694 5.500 -6.535 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.520 4.407 -7.273 1.00 0.00 N ATOM 0 H ASN A 42 8.424 3.545 -9.386 1.00 0.00 H new ATOM 0 HA ASN A 42 9.834 3.419 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.821 2.924 -8.448 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.542 4.421 -9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.138 4.864 -6.602 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.897 3.726 -7.932 1.00 0.00 H new ATOM 653 N PRO A 43 8.105 5.423 -7.566 1.00 0.00 N ATOM 654 CA PRO A 43 7.452 6.721 -7.524 1.00 0.00 C ATOM 655 C PRO A 43 7.957 7.550 -6.342 1.00 0.00 C ATOM 656 O PRO A 43 7.941 7.087 -5.202 1.00 0.00 O ATOM 657 CB PRO A 43 5.966 6.411 -7.440 1.00 0.00 C ATOM 658 CG PRO A 43 5.867 4.968 -6.972 1.00 0.00 C ATOM 659 CD PRO A 43 7.241 4.335 -7.118 1.00 0.00 C ATOM 0 HA PRO A 43 7.669 7.330 -8.401 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.466 7.083 -6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.484 6.541 -8.409 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.535 4.925 -5.935 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.131 4.424 -7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.587 3.918 -6.172 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.226 3.518 -7.840 1.00 0.00 H new ATOM 667 N THR A 44 8.392 8.762 -6.653 1.00 0.00 N ATOM 668 CA THR A 44 8.901 9.661 -5.631 1.00 0.00 C ATOM 669 C THR A 44 7.938 9.717 -4.443 1.00 0.00 C ATOM 670 O THR A 44 6.753 9.418 -4.585 1.00 0.00 O ATOM 671 CB THR A 44 9.146 11.024 -6.280 1.00 0.00 C ATOM 672 OG1 THR A 44 7.945 11.287 -7.000 1.00 0.00 O ATOM 673 CG2 THR A 44 10.226 10.972 -7.362 1.00 0.00 C ATOM 0 H THR A 44 8.403 9.143 -7.599 1.00 0.00 H new ATOM 0 HA THR A 44 9.847 9.304 -5.225 1.00 0.00 H new ATOM 0 HB THR A 44 9.435 11.744 -5.514 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.017 12.154 -7.451 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.360 11.965 -7.790 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.165 10.636 -6.923 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.923 10.277 -8.145 1.00 0.00 H new ATOM 681 N GLU A 45 8.483 10.102 -3.299 1.00 0.00 N ATOM 682 CA GLU A 45 7.686 10.201 -2.087 1.00 0.00 C ATOM 683 C GLU A 45 6.474 11.105 -2.321 1.00 0.00 C ATOM 684 O GLU A 45 5.444 10.949 -1.668 1.00 0.00 O ATOM 685 CB GLU A 45 8.531 10.709 -0.916 1.00 0.00 C ATOM 686 CG GLU A 45 8.860 9.574 0.055 1.00 0.00 C ATOM 687 CD GLU A 45 9.596 10.103 1.288 1.00 0.00 C ATOM 688 OE1 GLU A 45 10.494 10.950 1.092 1.00 0.00 O ATOM 689 OE2 GLU A 45 9.243 9.649 2.398 1.00 0.00 O ATOM 0 H GLU A 45 9.466 10.349 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 45 7.327 9.205 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.454 11.149 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.993 11.498 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.941 9.075 0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.475 8.827 -0.448 1.00 0.00 H new ATOM 696 N ALA A 46 6.637 12.030 -3.255 1.00 0.00 N ATOM 697 CA ALA A 46 5.569 12.959 -3.584 1.00 0.00 C ATOM 698 C ALA A 46 4.444 12.204 -4.296 1.00 0.00 C ATOM 699 O ALA A 46 3.269 12.407 -3.996 1.00 0.00 O ATOM 700 CB ALA A 46 6.129 14.104 -4.429 1.00 0.00 C ATOM 0 H ALA A 46 7.493 12.156 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 46 5.150 13.398 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.327 14.800 -4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.903 14.626 -3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.556 13.703 -5.348 1.00 0.00 H new ATOM 706 N GLU A 47 4.845 11.350 -5.226 1.00 0.00 N ATOM 707 CA GLU A 47 3.885 10.564 -5.983 1.00 0.00 C ATOM 708 C GLU A 47 3.052 9.693 -5.042 1.00 0.00 C ATOM 709 O GLU A 47 1.831 9.832 -4.978 1.00 0.00 O ATOM 710 CB GLU A 47 4.589 9.711 -7.041 1.00 0.00 C ATOM 711 CG GLU A 47 3.586 8.831 -7.791 1.00 0.00 C ATOM 712 CD GLU A 47 3.602 9.138 -9.290 1.00 0.00 C ATOM 713 OE1 GLU A 47 4.644 8.848 -9.917 1.00 0.00 O ATOM 714 OE2 GLU A 47 2.572 9.654 -9.774 1.00 0.00 O ATOM 0 H GLU A 47 5.821 11.185 -5.473 1.00 0.00 H new ATOM 0 HA GLU A 47 3.213 11.248 -6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.110 10.358 -7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.344 9.085 -6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.826 7.780 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.584 8.994 -7.393 1.00 0.00 H new ATOM 721 N LEU A 48 3.744 8.813 -4.333 1.00 0.00 N ATOM 722 CA LEU A 48 3.083 7.919 -3.398 1.00 0.00 C ATOM 723 C LEU A 48 2.023 8.698 -2.617 1.00 0.00 C ATOM 724 O LEU A 48 0.844 8.346 -2.644 1.00 0.00 O ATOM 725 CB LEU A 48 4.112 7.219 -2.507 1.00 0.00 C ATOM 726 CG LEU A 48 5.184 6.404 -3.234 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.490 6.383 -2.437 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.681 4.993 -3.548 1.00 0.00 C ATOM 0 H LEU A 48 4.756 8.700 -4.388 1.00 0.00 H new ATOM 0 HA LEU A 48 2.565 7.123 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.609 7.974 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.581 6.556 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 48 5.396 6.890 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.235 5.797 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.854 7.402 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.313 5.934 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.462 4.435 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.424 4.483 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.798 5.055 -4.184 1.00 0.00 H new ATOM 740 N GLN A 49 2.479 9.741 -1.940 1.00 0.00 N ATOM 741 CA GLN A 49 1.585 10.573 -1.154 1.00 0.00 C ATOM 742 C GLN A 49 0.298 10.853 -1.933 1.00 0.00 C ATOM 743 O GLN A 49 -0.799 10.746 -1.386 1.00 0.00 O ATOM 744 CB GLN A 49 2.270 11.876 -0.740 1.00 0.00 C ATOM 745 CG GLN A 49 1.826 12.309 0.659 1.00 0.00 C ATOM 746 CD GLN A 49 2.894 11.974 1.702 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.047 12.357 1.592 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.448 11.239 2.716 1.00 0.00 N ATOM 0 H GLN A 49 3.457 10.029 -1.920 1.00 0.00 H new ATOM 0 HA GLN A 49 1.325 10.033 -0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.352 11.744 -0.757 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.033 12.660 -1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.629 13.381 0.666 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.891 11.812 0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.470 10.952 2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.084 10.962 3.464 1.00 0.00 H new ATOM 757 N ASP A 50 0.475 11.206 -3.197 1.00 0.00 N ATOM 758 CA ASP A 50 -0.658 11.503 -4.057 1.00 0.00 C ATOM 759 C ASP A 50 -1.507 10.241 -4.228 1.00 0.00 C ATOM 760 O ASP A 50 -2.732 10.318 -4.299 1.00 0.00 O ATOM 761 CB ASP A 50 -0.194 11.952 -5.444 1.00 0.00 C ATOM 762 CG ASP A 50 -0.486 13.416 -5.780 1.00 0.00 C ATOM 763 OD1 ASP A 50 0.121 14.283 -5.115 1.00 0.00 O ATOM 764 OD2 ASP A 50 -1.308 13.635 -6.696 1.00 0.00 O ATOM 0 H ASP A 50 1.386 11.293 -3.647 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.233 12.304 -3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.880 11.784 -5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.672 11.320 -6.193 1.00 0.00 H new ATOM 769 N MET A 51 -0.821 9.109 -4.289 1.00 0.00 N ATOM 770 CA MET A 51 -1.497 7.833 -4.451 1.00 0.00 C ATOM 771 C MET A 51 -2.176 7.403 -3.149 1.00 0.00 C ATOM 772 O MET A 51 -3.328 6.974 -3.158 1.00 0.00 O ATOM 773 CB MET A 51 -0.482 6.768 -4.873 1.00 0.00 C ATOM 774 CG MET A 51 0.334 7.236 -6.079 1.00 0.00 C ATOM 775 SD MET A 51 1.778 6.206 -6.276 1.00 0.00 S ATOM 776 CE MET A 51 1.489 5.578 -7.922 1.00 0.00 C ATOM 0 H MET A 51 0.195 9.049 -4.229 1.00 0.00 H new ATOM 0 HA MET A 51 -2.263 7.943 -5.219 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.186 6.547 -4.041 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.002 5.842 -5.118 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.278 7.195 -6.980 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.634 8.275 -5.944 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.304 4.912 -8.205 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.548 5.029 -7.942 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.439 6.409 -8.625 1.00 0.00 H new ATOM 786 N ILE A 52 -1.432 7.534 -2.060 1.00 0.00 N ATOM 787 CA ILE A 52 -1.948 7.165 -0.753 1.00 0.00 C ATOM 788 C ILE A 52 -3.263 7.904 -0.501 1.00 0.00 C ATOM 789 O ILE A 52 -4.151 7.386 0.175 1.00 0.00 O ATOM 790 CB ILE A 52 -0.891 7.405 0.328 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.173 6.306 0.307 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.539 7.549 1.706 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.754 6.079 1.704 1.00 0.00 C ATOM 0 H ILE A 52 -0.476 7.890 -2.056 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.170 6.098 -0.719 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.386 8.346 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.264 5.379 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.971 6.581 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.766 7.719 2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.228 8.394 1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.085 6.637 1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.508 5.293 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.211 7.001 2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.043 5.781 2.385 1.00 0.00 H new ATOM 805 N ASN A 53 -3.347 9.104 -1.058 1.00 0.00 N ATOM 806 CA ASN A 53 -4.540 9.919 -0.902 1.00 0.00 C ATOM 807 C ASN A 53 -5.658 9.352 -1.778 1.00 0.00 C ATOM 808 O ASN A 53 -6.832 9.653 -1.565 1.00 0.00 O ATOM 809 CB ASN A 53 -4.281 11.362 -1.340 1.00 0.00 C ATOM 810 CG ASN A 53 -3.951 12.249 -0.138 1.00 0.00 C ATOM 811 OD1 ASN A 53 -4.686 12.324 0.832 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.806 12.916 -0.257 1.00 0.00 N ATOM 0 H ASN A 53 -2.609 9.531 -1.617 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.822 9.906 0.151 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.456 11.387 -2.052 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.159 11.753 -1.855 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.497 13.536 0.492 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.237 12.807 -1.097 1.00 0.00 H new ATOM 819 N GLU A 54 -5.255 8.541 -2.746 1.00 0.00 N ATOM 820 CA GLU A 54 -6.209 7.929 -3.655 1.00 0.00 C ATOM 821 C GLU A 54 -6.762 6.636 -3.053 1.00 0.00 C ATOM 822 O GLU A 54 -7.782 6.121 -3.509 1.00 0.00 O ATOM 823 CB GLU A 54 -5.574 7.670 -5.022 1.00 0.00 C ATOM 824 CG GLU A 54 -5.253 8.984 -5.737 1.00 0.00 C ATOM 825 CD GLU A 54 -5.528 8.874 -7.238 1.00 0.00 C ATOM 826 OE1 GLU A 54 -6.688 9.133 -7.623 1.00 0.00 O ATOM 827 OE2 GLU A 54 -4.571 8.533 -7.966 1.00 0.00 O ATOM 0 H GLU A 54 -4.281 8.294 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.038 8.621 -3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.661 7.087 -4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.251 7.075 -5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.853 9.789 -5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.207 9.245 -5.574 1.00 0.00 H new ATOM 834 N VAL A 55 -6.065 6.149 -2.037 1.00 0.00 N ATOM 835 CA VAL A 55 -6.474 4.925 -1.368 1.00 0.00 C ATOM 836 C VAL A 55 -6.637 5.198 0.129 1.00 0.00 C ATOM 837 O VAL A 55 -6.324 4.344 0.957 1.00 0.00 O ATOM 838 CB VAL A 55 -5.474 3.806 -1.666 1.00 0.00 C ATOM 839 CG1 VAL A 55 -5.882 3.026 -2.918 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.055 4.361 -1.805 1.00 0.00 C ATOM 0 H VAL A 55 -5.220 6.579 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.440 4.588 -1.745 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.483 3.116 -0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.155 2.237 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.867 2.584 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.916 3.702 -3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.364 3.545 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.025 5.083 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.764 4.851 -0.876 1.00 0.00 H new ATOM 850 N ASP A 56 -7.126 6.392 0.431 1.00 0.00 N ATOM 851 CA ASP A 56 -7.334 6.787 1.813 1.00 0.00 C ATOM 852 C ASP A 56 -8.128 8.095 1.851 1.00 0.00 C ATOM 853 O ASP A 56 -7.711 9.095 1.270 1.00 0.00 O ATOM 854 CB ASP A 56 -6.000 7.024 2.525 1.00 0.00 C ATOM 855 CG ASP A 56 -6.102 7.225 4.038 1.00 0.00 C ATOM 856 OD1 ASP A 56 -7.247 7.199 4.539 1.00 0.00 O ATOM 857 OD2 ASP A 56 -5.032 7.401 4.661 1.00 0.00 O ATOM 0 H ASP A 56 -7.384 7.098 -0.258 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.874 5.984 2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.345 6.175 2.330 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.523 7.901 2.088 1.00 0.00 H new ATOM 862 N ALA A 57 -9.258 8.044 2.541 1.00 0.00 N ATOM 863 CA ALA A 57 -10.114 9.211 2.663 1.00 0.00 C ATOM 864 C ALA A 57 -9.901 9.854 4.035 1.00 0.00 C ATOM 865 O ALA A 57 -10.671 10.722 4.444 1.00 0.00 O ATOM 866 CB ALA A 57 -11.570 8.803 2.430 1.00 0.00 C ATOM 0 H ALA A 57 -9.600 7.212 3.021 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.859 9.954 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.212 9.679 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.674 8.380 1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.863 8.059 3.171 1.00 0.00 H new ATOM 872 N ASP A 58 -8.852 9.404 4.708 1.00 0.00 N ATOM 873 CA ASP A 58 -8.529 9.924 6.025 1.00 0.00 C ATOM 874 C ASP A 58 -7.230 10.728 5.945 1.00 0.00 C ATOM 875 O ASP A 58 -7.058 11.710 6.667 1.00 0.00 O ATOM 876 CB ASP A 58 -8.321 8.789 7.030 1.00 0.00 C ATOM 877 CG ASP A 58 -7.072 8.920 7.904 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.836 10.046 8.391 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.382 7.890 8.065 1.00 0.00 O ATOM 0 H ASP A 58 -8.215 8.685 4.365 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.359 10.549 6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.195 8.733 7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.268 7.847 6.485 1.00 0.00 H new ATOM 884 N GLY A 59 -6.348 10.283 5.062 1.00 0.00 N ATOM 885 CA GLY A 59 -5.070 10.949 4.879 1.00 0.00 C ATOM 886 C GLY A 59 -4.364 11.159 6.220 1.00 0.00 C ATOM 887 O GLY A 59 -3.804 12.225 6.471 1.00 0.00 O ATOM 0 H GLY A 59 -6.494 9.469 4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.437 10.355 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.224 11.911 4.390 1.00 0.00 H new ATOM 891 N ASN A 60 -4.413 10.124 7.047 1.00 0.00 N ATOM 892 CA ASN A 60 -3.785 10.182 8.356 1.00 0.00 C ATOM 893 C ASN A 60 -2.265 10.135 8.190 1.00 0.00 C ATOM 894 O ASN A 60 -1.526 10.542 9.085 1.00 0.00 O ATOM 895 CB ASN A 60 -4.203 8.990 9.220 1.00 0.00 C ATOM 896 CG ASN A 60 -3.909 7.668 8.509 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.763 7.602 7.299 1.00 0.00 O ATOM 898 ND2 ASN A 60 -3.833 6.620 9.325 1.00 0.00 N ATOM 0 H ASN A 60 -4.878 9.241 6.836 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.099 11.107 8.840 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.672 9.022 10.171 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.267 9.056 9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.642 5.692 8.947 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.965 6.745 10.329 1.00 0.00 H new ATOM 905 N GLY A 61 -1.842 9.636 7.038 1.00 0.00 N ATOM 906 CA GLY A 61 -0.423 9.531 6.743 1.00 0.00 C ATOM 907 C GLY A 61 -0.008 8.070 6.559 1.00 0.00 C ATOM 908 O GLY A 61 1.178 7.748 6.605 1.00 0.00 O ATOM 0 H GLY A 61 -2.457 9.300 6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.193 10.095 5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.154 9.978 7.552 1.00 0.00 H new ATOM 912 N THR A 62 -1.008 7.225 6.354 1.00 0.00 N ATOM 913 CA THR A 62 -0.761 5.806 6.163 1.00 0.00 C ATOM 914 C THR A 62 -1.961 5.143 5.483 1.00 0.00 C ATOM 915 O THR A 62 -3.046 5.720 5.430 1.00 0.00 O ATOM 916 CB THR A 62 -0.423 5.198 7.526 1.00 0.00 C ATOM 917 OG1 THR A 62 0.812 4.521 7.307 1.00 0.00 O ATOM 918 CG2 THR A 62 -1.392 4.084 7.927 1.00 0.00 C ATOM 0 H THR A 62 -1.991 7.496 6.316 1.00 0.00 H new ATOM 0 HA THR A 62 0.085 5.637 5.496 1.00 0.00 H new ATOM 0 HB THR A 62 -0.435 5.980 8.285 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.106 4.099 8.141 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.107 3.687 8.901 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.405 4.484 7.980 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.356 3.286 7.186 1.00 0.00 H new ATOM 926 N ILE A 63 -1.724 3.941 4.979 1.00 0.00 N ATOM 927 CA ILE A 63 -2.772 3.194 4.304 1.00 0.00 C ATOM 928 C ILE A 63 -3.137 1.966 5.141 1.00 0.00 C ATOM 929 O ILE A 63 -2.262 1.314 5.708 1.00 0.00 O ATOM 930 CB ILE A 63 -2.352 2.858 2.871 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.124 4.131 2.054 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.366 1.924 2.207 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.382 4.512 1.270 1.00 0.00 C ATOM 0 H ILE A 63 -0.822 3.466 5.024 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.674 3.799 4.214 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.402 2.326 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.844 4.948 2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.293 3.981 1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.044 1.701 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.435 0.998 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.343 2.407 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.193 5.420 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.646 3.703 0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.205 4.685 1.964 1.00 0.00 H new ATOM 945 N ASP A 64 -4.432 1.688 5.192 1.00 0.00 N ATOM 946 CA ASP A 64 -4.923 0.551 5.951 1.00 0.00 C ATOM 947 C ASP A 64 -5.562 -0.457 4.993 1.00 0.00 C ATOM 948 O ASP A 64 -5.503 -0.286 3.777 1.00 0.00 O ATOM 949 CB ASP A 64 -5.988 0.982 6.962 1.00 0.00 C ATOM 950 CG ASP A 64 -5.521 2.012 7.992 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.622 2.805 7.636 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.074 1.985 9.113 1.00 0.00 O ATOM 0 H ASP A 64 -5.155 2.231 4.720 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.079 0.110 6.482 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.838 1.394 6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.345 0.098 7.490 1.00 0.00 H new ATOM 957 N PHE A 65 -6.157 -1.486 5.579 1.00 0.00 N ATOM 958 CA PHE A 65 -6.805 -2.522 4.793 1.00 0.00 C ATOM 959 C PHE A 65 -8.052 -1.979 4.092 1.00 0.00 C ATOM 960 O PHE A 65 -8.272 -2.248 2.912 1.00 0.00 O ATOM 961 CB PHE A 65 -7.223 -3.627 5.766 1.00 0.00 C ATOM 962 CG PHE A 65 -7.709 -4.906 5.083 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.964 -5.477 4.098 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.886 -5.474 5.461 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.415 -6.665 3.465 1.00 0.00 C ATOM 966 CE2 PHE A 65 -9.337 -6.662 4.828 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.592 -7.232 3.843 1.00 0.00 C ATOM 0 H PHE A 65 -6.204 -1.624 6.589 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.121 -2.890 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.377 -3.870 6.409 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.016 -3.248 6.411 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.030 -5.026 3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.477 -5.021 6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.824 -7.118 2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.271 -7.113 5.128 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.935 -8.135 3.361 1.00 0.00 H new ATOM 977 N PRO A 66 -8.856 -1.203 4.868 1.00 0.00 N ATOM 978 CA PRO A 66 -10.075 -0.620 4.334 1.00 0.00 C ATOM 979 C PRO A 66 -9.760 0.564 3.417 1.00 0.00 C ATOM 980 O PRO A 66 -10.653 1.105 2.767 1.00 0.00 O ATOM 981 CB PRO A 66 -10.890 -0.225 5.555 1.00 0.00 C ATOM 982 CG PRO A 66 -9.907 -0.174 6.713 1.00 0.00 C ATOM 983 CD PRO A 66 -8.627 -0.863 6.269 1.00 0.00 C ATOM 0 HA PRO A 66 -10.634 -1.314 3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.371 0.742 5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.682 -0.949 5.747 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.706 0.859 6.997 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.324 -0.671 7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.764 -0.206 6.381 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.429 -1.754 6.865 1.00 0.00 H new ATOM 991 N GLU A 67 -8.487 0.932 3.394 1.00 0.00 N ATOM 992 CA GLU A 67 -8.043 2.041 2.568 1.00 0.00 C ATOM 993 C GLU A 67 -7.333 1.520 1.317 1.00 0.00 C ATOM 994 O GLU A 67 -7.423 2.126 0.250 1.00 0.00 O ATOM 995 CB GLU A 67 -7.137 2.986 3.359 1.00 0.00 C ATOM 996 CG GLU A 67 -7.567 3.059 4.826 1.00 0.00 C ATOM 997 CD GLU A 67 -8.484 4.259 5.069 1.00 0.00 C ATOM 998 OE1 GLU A 67 -9.467 4.386 4.307 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.182 5.023 6.011 1.00 0.00 O ATOM 0 H GLU A 67 -7.749 0.481 3.935 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.919 2.609 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.104 2.643 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.170 3.982 2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.083 2.140 5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.686 3.135 5.464 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.643 0.402 1.489 1.00 0.00 N ATOM 1007 CA PHE A 68 -5.919 -0.207 0.386 1.00 0.00 C ATOM 1008 C PHE A 68 -6.832 -1.123 -0.431 1.00 0.00 C ATOM 1009 O PHE A 68 -6.682 -1.230 -1.647 1.00 0.00 O ATOM 1010 CB PHE A 68 -4.794 -1.043 0.999 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.429 -2.287 0.186 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.200 -3.404 0.269 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.334 -2.275 -0.621 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.862 -4.558 -0.486 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -2.996 -3.429 -1.376 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.767 -4.546 -1.293 1.00 0.00 C ATOM 0 H PHE A 68 -6.570 -0.098 2.375 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.536 0.566 -0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.907 -0.418 1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.089 -1.351 2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.070 -3.413 0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.722 -1.388 -0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.474 -5.445 -0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.126 -3.420 -2.016 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.510 -5.424 -1.868 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.758 -1.760 0.270 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.696 -2.663 -0.376 1.00 0.00 C ATOM 1028 C LEU A 69 -9.081 -2.098 -1.744 1.00 0.00 C ATOM 1029 O LEU A 69 -9.072 -2.817 -2.742 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.894 -2.934 0.537 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.780 -4.159 1.446 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.855 -4.136 2.534 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.819 -5.453 0.630 1.00 0.00 C ATOM 0 H LEU A 69 -7.879 -1.669 1.279 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.232 -3.634 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.055 -2.056 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.781 -3.049 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.813 -4.123 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.752 -5.018 3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.739 -3.238 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.842 -4.135 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.736 -6.309 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.760 -5.510 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.988 -5.463 -0.076 1.00 0.00 H new ATOM 1045 N THR A 70 -9.411 -0.815 -1.748 1.00 0.00 N ATOM 1046 CA THR A 70 -9.799 -0.145 -2.978 1.00 0.00 C ATOM 1047 C THR A 70 -8.768 -0.409 -4.076 1.00 0.00 C ATOM 1048 O THR A 70 -9.121 -0.837 -5.174 1.00 0.00 O ATOM 1049 CB THR A 70 -9.990 1.341 -2.667 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.387 1.908 -3.913 1.00 0.00 O ATOM 1051 CG2 THR A 70 -8.671 2.045 -2.340 1.00 0.00 C ATOM 0 H THR A 70 -9.418 -0.221 -0.919 1.00 0.00 H new ATOM 0 HA THR A 70 -10.742 -0.535 -3.361 1.00 0.00 H new ATOM 0 HB THR A 70 -10.678 1.451 -1.828 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.534 2.871 -3.802 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.863 3.097 -2.127 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.214 1.576 -1.468 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.995 1.965 -3.191 1.00 0.00 H new ATOM 1059 N MET A 71 -7.514 -0.142 -3.743 1.00 0.00 N ATOM 1060 CA MET A 71 -6.429 -0.345 -4.688 1.00 0.00 C ATOM 1061 C MET A 71 -6.624 -1.642 -5.476 1.00 0.00 C ATOM 1062 O MET A 71 -6.502 -1.653 -6.700 1.00 0.00 O ATOM 1063 CB MET A 71 -5.099 -0.401 -3.934 1.00 0.00 C ATOM 1064 CG MET A 71 -4.088 0.580 -4.531 1.00 0.00 C ATOM 1065 SD MET A 71 -2.657 -0.305 -5.128 1.00 0.00 S ATOM 1066 CE MET A 71 -1.372 0.853 -4.690 1.00 0.00 C ATOM 0 H MET A 71 -7.225 0.213 -2.832 1.00 0.00 H new ATOM 0 HA MET A 71 -6.424 0.488 -5.391 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.263 -0.165 -2.883 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.696 -1.413 -3.974 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.548 1.137 -5.347 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.787 1.308 -3.778 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.404 0.455 -4.994 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.549 1.802 -5.197 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.377 1.011 -3.612 1.00 0.00 H new ATOM 1076 N MET A 72 -6.924 -2.704 -4.742 1.00 0.00 N ATOM 1077 CA MET A 72 -7.136 -4.003 -5.358 1.00 0.00 C ATOM 1078 C MET A 72 -8.402 -4.001 -6.217 1.00 0.00 C ATOM 1079 O MET A 72 -8.417 -4.570 -7.308 1.00 0.00 O ATOM 1080 CB MET A 72 -7.260 -5.070 -4.268 1.00 0.00 C ATOM 1081 CG MET A 72 -6.037 -5.060 -3.350 1.00 0.00 C ATOM 1082 SD MET A 72 -5.224 -6.648 -3.398 1.00 0.00 S ATOM 1083 CE MET A 72 -3.790 -6.233 -4.377 1.00 0.00 C ATOM 0 H MET A 72 -7.025 -2.691 -3.727 1.00 0.00 H new ATOM 0 HA MET A 72 -6.284 -4.224 -6.000 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.161 -4.892 -3.681 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.367 -6.053 -4.727 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.344 -4.278 -3.662 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.340 -4.828 -2.329 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.039 -7.016 -4.272 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.078 -6.145 -5.425 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.377 -5.285 -4.033 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.434 -3.356 -5.694 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.701 -3.273 -6.399 1.00 0.00 C ATOM 1095 C ALA A 73 -10.509 -2.476 -7.691 1.00 0.00 C ATOM 1096 O ALA A 73 -10.988 -2.880 -8.750 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.757 -2.651 -5.483 1.00 0.00 C ATOM 0 H ALA A 73 -9.418 -2.885 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.053 -4.268 -6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.707 -2.589 -6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.877 -3.270 -4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.440 -1.651 -5.189 1.00 0.00 H new ATOM 1103 N ARG A 74 -9.808 -1.360 -7.562 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.547 -0.503 -8.706 1.00 0.00 C ATOM 1105 C ARG A 74 -8.043 -0.409 -8.967 1.00 0.00 C ATOM 1106 O ARG A 74 -7.449 0.658 -8.820 1.00 0.00 O ATOM 1107 CB ARG A 74 -10.107 0.903 -8.480 1.00 0.00 C ATOM 1108 CG ARG A 74 -9.741 1.422 -7.088 1.00 0.00 C ATOM 1109 CD ARG A 74 -9.594 2.945 -7.092 1.00 0.00 C ATOM 1110 NE ARG A 74 -8.536 3.349 -8.046 1.00 0.00 N ATOM 1111 CZ ARG A 74 -8.166 4.618 -8.264 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -8.765 5.615 -7.598 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -7.197 4.891 -9.148 1.00 0.00 N ATOM 0 H ARG A 74 -9.412 -1.029 -6.682 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.042 -0.945 -9.571 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.716 1.580 -9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.191 0.889 -8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.510 1.129 -6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.808 0.964 -6.759 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.541 3.409 -7.368 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.346 3.297 -6.091 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.059 2.615 -8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.503 5.408 -6.925 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.483 6.581 -7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.741 4.133 -9.655 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.915 5.857 -9.314 1.00 0.00 H new ATOM 1127 N LYS A 75 -7.469 -1.541 -9.349 1.00 0.00 N ATOM 1128 CA LYS A 75 -6.045 -1.600 -9.631 1.00 0.00 C ATOM 1129 C LYS A 75 -5.745 -0.784 -10.890 1.00 0.00 C ATOM 1130 O LYS A 75 -4.592 -0.678 -11.305 1.00 0.00 O ATOM 1131 CB LYS A 75 -5.575 -3.054 -9.714 1.00 0.00 C ATOM 1132 CG LYS A 75 -5.072 -3.388 -11.120 1.00 0.00 C ATOM 1133 CD LYS A 75 -4.893 -4.898 -11.293 1.00 0.00 C ATOM 1134 CE LYS A 75 -5.860 -5.448 -12.343 1.00 0.00 C ATOM 1135 NZ LYS A 75 -7.259 -5.321 -11.876 1.00 0.00 N ATOM 1136 OXT LYS A 75 -6.803 -0.229 -11.463 1.00 0.00 O ATOM 0 H LYS A 75 -7.965 -2.424 -9.470 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.476 -1.151 -8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.779 -3.225 -8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.396 -3.721 -9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.778 -3.014 -11.861 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.123 -2.882 -11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.867 -5.114 -11.590 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.062 -5.399 -10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.733 -4.908 -13.281 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.631 -6.495 -12.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.896 -5.775 -12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.359 -5.784 -10.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.506 -4.314 -11.788 1.00 0.00 H new TER 1150 LYS A 75 HETATM 1151 CE CE A 76 3.490 -0.567 7.806 1.00 0.00 CE HETATM 1152 CE CE A 77 -5.305 5.851 6.130 1.00 0.00 CE