USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 906 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 85 GLN : amide:sc= -0.0904 K(o=-2.2,f=-3) USER MOD Set 1.2: A 106 THR OG1 : rot 17:sc= 1.12 USER MOD Set 1.3: A 111 HIS : no HE2:sc= -3.24! C(o=-2.2!,f=-2.7!) USER MOD Set 2.1: A 29 GLN : amide:sc= -2.1! K(o=-1.5!,f=-0.13) USER MOD Set 2.2: A 33 THR OG1 : rot 180:sc= 0.63 USER MOD Set 3.1: A 17 LYS NZ :NH3+ 146:sc= 1.19 (180deg=-0.00901) USER MOD Set 3.2: A 108 SER OG : rot 110:sc= 0.892 USER MOD Set 4.1: A 13 HIS : no HE2:sc= -1.39 K(o=0.26,f=-8.6!) USER MOD Set 4.2: A 67 CYS SG : rot 130:sc= 0.312 USER MOD Set 4.3: A 69 SER OG : rot 146:sc= 1.34 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -7:sc= -4.94! USER MOD Single : A 12 SER OG : rot 165:sc= 0.594 USER MOD Single : A 18 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-8.1!) USER MOD Single : A 19 SER OG : rot -52:sc= 1.24 USER MOD Single : A 20 GLN : amide:sc= -0.0535 X(o=-0.053,f=-0.067) USER MOD Single : A 21 SER OG : rot -90:sc= 1.82 USER MOD Single : A 25 SER OG : rot 70:sc= 1.1 USER MOD Single : A 26 SER OG : rot -61:sc= 0.277 USER MOD Single : A 31 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0904) USER MOD Single : A 35 THR OG1 : rot -106:sc= 0.119 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.957 K(o=0.96,f=0) USER MOD Single : A 46 TYR OH : rot 30:sc= -1.09 USER MOD Single : A 48 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.17) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 1.27 (180deg=1.11) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -78:sc= 1.16 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 28:sc= 1.12 USER MOD Single : A 63 GLN : amide:sc= -0.829 K(o=-0.83,f=0) USER MOD Single : A 65 SER OG : rot 21:sc= 2.11 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 1.06 USER MOD Single : A 83 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.28) USER MOD Single : A 84 MET CE :methyl -171:sc= -1.18 (180deg=-1.38) USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 0.84 (180deg=0.34) USER MOD Single : A 92 SER OG : rot 75:sc= 0.264 USER MOD Single : A 97 THR OG1 : rot -50:sc= 1.27 USER MOD Single : A 100 MET CE :methyl 174:sc= -0.708 (180deg=-0.799) USER MOD Single : A 101 SER OG : rot 170:sc= 0.564 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0014 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.580 -24.052 -2.014 1.00 62.45 N ATOM 2 CA GLY A 1 -16.154 -24.105 -2.391 1.00 65.32 C ATOM 3 C GLY A 1 -15.516 -22.735 -2.424 1.00 72.25 C ATOM 4 O GLY A 1 -14.938 -22.337 -3.433 1.00 72.45 O ATOM 0 H1 GLY A 1 -17.973 -25.015 -2.005 1.00 62.45 H new ATOM 0 H2 GLY A 1 -17.673 -23.631 -1.067 1.00 62.45 H new ATOM 0 H3 GLY A 1 -18.100 -23.472 -2.703 1.00 62.45 H new ATOM 0 HA2 GLY A 1 -15.617 -24.736 -1.683 1.00 65.32 H new ATOM 0 HA3 GLY A 1 -16.057 -24.572 -3.371 1.00 65.32 H new ATOM 10 N SER A 2 -15.626 -22.007 -1.330 1.00 2.42 N ATOM 11 CA SER A 2 -15.042 -20.687 -1.233 1.00 4.32 C ATOM 12 C SER A 2 -13.915 -20.690 -0.209 1.00 72.23 C ATOM 13 O SER A 2 -13.936 -21.471 0.746 1.00 12.21 O ATOM 14 CB SER A 2 -16.110 -19.663 -0.851 1.00 55.40 C ATOM 15 OG SER A 2 -17.177 -19.669 -1.792 1.00 65.54 O ATOM 0 H SER A 2 -16.119 -22.312 -0.491 1.00 2.42 H new ATOM 0 HA SER A 2 -14.631 -20.410 -2.204 1.00 4.32 H new ATOM 0 HB2 SER A 2 -16.495 -19.887 0.144 1.00 55.40 H new ATOM 0 HB3 SER A 2 -15.666 -18.669 -0.804 1.00 55.40 H new ATOM 0 HG SER A 2 -17.850 -19.008 -1.528 1.00 65.54 H new ATOM 21 N HIS A 3 -12.931 -19.838 -0.409 1.00 33.51 N ATOM 22 CA HIS A 3 -11.797 -19.772 0.499 1.00 14.11 C ATOM 23 C HIS A 3 -12.056 -18.778 1.618 1.00 20.35 C ATOM 24 O HIS A 3 -11.763 -17.590 1.485 1.00 24.34 O ATOM 25 CB HIS A 3 -10.514 -19.387 -0.247 1.00 2.21 C ATOM 26 CG HIS A 3 -10.089 -20.370 -1.296 1.00 60.31 C ATOM 27 ND1 HIS A 3 -10.142 -20.099 -2.643 1.00 65.15 N ATOM 28 CD2 HIS A 3 -9.587 -21.622 -1.188 1.00 21.00 C ATOM 29 CE1 HIS A 3 -9.695 -21.137 -3.320 1.00 61.44 C ATOM 30 NE2 HIS A 3 -9.351 -22.075 -2.462 1.00 33.54 N ATOM 0 H HIS A 3 -12.890 -19.182 -1.189 1.00 33.51 H new ATOM 0 HA HIS A 3 -11.666 -20.764 0.931 1.00 14.11 H new ATOM 0 HB2 HIS A 3 -10.659 -18.414 -0.716 1.00 2.21 H new ATOM 0 HB3 HIS A 3 -9.707 -19.275 0.477 1.00 2.21 H new ATOM 0 HD2 HIS A 3 -9.406 -22.163 -0.271 1.00 21.00 H new ATOM 0 HE1 HIS A 3 -9.623 -21.207 -4.395 1.00 61.44 H new ATOM 0 HE2 HIS A 3 -8.971 -22.990 -2.705 1.00 33.54 H new ATOM 39 N MET A 4 -12.625 -19.251 2.709 1.00 2.14 N ATOM 40 CA MET A 4 -12.879 -18.389 3.845 1.00 53.34 C ATOM 41 C MET A 4 -11.796 -18.603 4.894 1.00 52.43 C ATOM 42 O MET A 4 -11.323 -19.728 5.075 1.00 22.13 O ATOM 43 CB MET A 4 -14.269 -18.640 4.426 1.00 40.03 C ATOM 44 CG MET A 4 -14.795 -17.468 5.228 1.00 53.03 C ATOM 45 SD MET A 4 -14.845 -15.946 4.254 1.00 51.21 S ATOM 46 CE MET A 4 -15.269 -14.749 5.516 1.00 43.44 C ATOM 0 H MET A 4 -12.918 -20.220 2.832 1.00 2.14 H new ATOM 0 HA MET A 4 -12.852 -17.350 3.516 1.00 53.34 H new ATOM 0 HB2 MET A 4 -14.962 -18.858 3.614 1.00 40.03 H new ATOM 0 HB3 MET A 4 -14.236 -19.524 5.063 1.00 40.03 H new ATOM 0 HG2 MET A 4 -15.796 -17.698 5.592 1.00 53.03 H new ATOM 0 HG3 MET A 4 -14.165 -17.317 6.104 1.00 53.03 H new ATOM 0 HE1 MET A 4 -15.337 -13.757 5.069 1.00 43.44 H new ATOM 0 HE2 MET A 4 -16.229 -15.013 5.960 1.00 43.44 H new ATOM 0 HE3 MET A 4 -14.500 -14.747 6.288 1.00 43.44 H new ATOM 56 N GLU A 5 -11.408 -17.527 5.577 1.00 34.34 N ATOM 57 CA GLU A 5 -10.291 -17.558 6.535 1.00 63.51 C ATOM 58 C GLU A 5 -9.018 -18.089 5.868 1.00 24.43 C ATOM 59 O GLU A 5 -8.549 -19.185 6.184 1.00 61.34 O ATOM 60 CB GLU A 5 -10.614 -18.385 7.796 1.00 23.31 C ATOM 61 CG GLU A 5 -11.516 -17.687 8.805 1.00 21.51 C ATOM 62 CD GLU A 5 -12.936 -17.540 8.328 1.00 13.42 C ATOM 63 OE1 GLU A 5 -13.714 -18.504 8.471 1.00 2.34 O ATOM 64 OE2 GLU A 5 -13.285 -16.461 7.815 1.00 31.52 O ATOM 0 H GLU A 5 -11.852 -16.613 5.487 1.00 34.34 H new ATOM 0 HA GLU A 5 -10.127 -16.529 6.856 1.00 63.51 H new ATOM 0 HB2 GLU A 5 -11.088 -19.317 7.490 1.00 23.31 H new ATOM 0 HB3 GLU A 5 -9.679 -18.650 8.289 1.00 23.31 H new ATOM 0 HG2 GLU A 5 -11.509 -18.249 9.739 1.00 21.51 H new ATOM 0 HG3 GLU A 5 -11.109 -16.700 9.025 1.00 21.51 H new ATOM 71 N PRO A 6 -8.460 -17.331 4.910 1.00 62.13 N ATOM 72 CA PRO A 6 -7.264 -17.721 4.198 1.00 14.21 C ATOM 73 C PRO A 6 -5.998 -17.244 4.904 1.00 34.13 C ATOM 74 O PRO A 6 -6.026 -16.288 5.684 1.00 71.31 O ATOM 75 CB PRO A 6 -7.416 -17.015 2.834 1.00 53.32 C ATOM 76 CG PRO A 6 -8.593 -16.078 2.977 1.00 44.03 C ATOM 77 CD PRO A 6 -8.951 -16.042 4.437 1.00 14.44 C ATOM 0 HA PRO A 6 -7.164 -18.804 4.124 1.00 14.21 H new ATOM 0 HB2 PRO A 6 -6.510 -16.466 2.576 1.00 53.32 H new ATOM 0 HB3 PRO A 6 -7.588 -17.739 2.037 1.00 53.32 H new ATOM 0 HG2 PRO A 6 -8.338 -15.081 2.618 1.00 44.03 H new ATOM 0 HG3 PRO A 6 -9.437 -16.425 2.381 1.00 44.03 H new ATOM 0 HD2 PRO A 6 -8.471 -15.210 4.953 1.00 14.44 H new ATOM 0 HD3 PRO A 6 -10.025 -15.935 4.590 1.00 14.44 H new ATOM 85 N ALA A 7 -4.901 -17.915 4.641 1.00 30.55 N ATOM 86 CA ALA A 7 -3.628 -17.546 5.222 1.00 2.51 C ATOM 87 C ALA A 7 -2.645 -17.125 4.141 1.00 11.24 C ATOM 88 O ALA A 7 -1.664 -16.444 4.418 1.00 43.15 O ATOM 89 CB ALA A 7 -3.061 -18.697 6.032 1.00 2.32 C ATOM 0 H ALA A 7 -4.863 -18.726 4.024 1.00 30.55 H new ATOM 0 HA ALA A 7 -3.790 -16.698 5.888 1.00 2.51 H new ATOM 0 HB1 ALA A 7 -2.104 -18.403 6.462 1.00 2.32 H new ATOM 0 HB2 ALA A 7 -3.754 -18.955 6.833 1.00 2.32 H new ATOM 0 HB3 ALA A 7 -2.917 -19.562 5.384 1.00 2.32 H new ATOM 95 N ARG A 8 -2.916 -17.538 2.909 1.00 72.12 N ATOM 96 CA ARG A 8 -2.053 -17.211 1.784 1.00 22.55 C ATOM 97 C ARG A 8 -2.863 -16.753 0.581 1.00 54.52 C ATOM 98 O ARG A 8 -3.640 -17.524 0.006 1.00 24.25 O ATOM 99 CB ARG A 8 -1.173 -18.407 1.401 1.00 21.11 C ATOM 100 CG ARG A 8 -0.095 -18.726 2.420 1.00 11.24 C ATOM 101 CD ARG A 8 0.753 -19.906 1.986 1.00 63.21 C ATOM 102 NE ARG A 8 1.859 -20.148 2.912 1.00 74.54 N ATOM 103 CZ ARG A 8 2.584 -21.265 2.951 1.00 5.34 C ATOM 104 NH1 ARG A 8 2.324 -22.261 2.110 1.00 43.23 N ATOM 105 NH2 ARG A 8 3.573 -21.384 3.834 1.00 14.52 N ATOM 0 H ARG A 8 -3.730 -18.102 2.665 1.00 72.12 H new ATOM 0 HA ARG A 8 -1.409 -16.389 2.097 1.00 22.55 H new ATOM 0 HB2 ARG A 8 -1.806 -19.284 1.269 1.00 21.11 H new ATOM 0 HB3 ARG A 8 -0.702 -18.206 0.439 1.00 21.11 H new ATOM 0 HG2 ARG A 8 0.542 -17.853 2.562 1.00 11.24 H new ATOM 0 HG3 ARG A 8 -0.557 -18.944 3.383 1.00 11.24 H new ATOM 0 HD2 ARG A 8 0.130 -20.798 1.923 1.00 63.21 H new ATOM 0 HD3 ARG A 8 1.149 -19.722 0.987 1.00 63.21 H new ATOM 0 HE ARG A 8 2.092 -19.409 3.575 1.00 74.54 H new ATOM 0 HH11 ARG A 8 1.567 -22.172 1.432 1.00 43.23 H new ATOM 0 HH12 ARG A 8 2.881 -23.115 2.143 1.00 43.23 H new ATOM 0 HH21 ARG A 8 3.775 -20.621 4.480 1.00 14.52 H new ATOM 0 HH22 ARG A 8 4.129 -22.239 3.865 1.00 14.52 H new ATOM 119 N VAL A 9 -2.685 -15.498 0.213 1.00 22.54 N ATOM 120 CA VAL A 9 -3.359 -14.910 -0.940 1.00 32.42 C ATOM 121 C VAL A 9 -2.379 -14.042 -1.713 1.00 41.34 C ATOM 122 O VAL A 9 -1.284 -13.759 -1.224 1.00 70.22 O ATOM 123 CB VAL A 9 -4.583 -14.042 -0.527 1.00 43.13 C ATOM 124 CG1 VAL A 9 -5.689 -14.904 0.066 1.00 61.24 C ATOM 125 CG2 VAL A 9 -4.167 -12.953 0.457 1.00 63.14 C ATOM 0 H VAL A 9 -2.068 -14.852 0.704 1.00 22.54 H new ATOM 0 HA VAL A 9 -3.721 -15.731 -1.559 1.00 32.42 H new ATOM 0 HB VAL A 9 -4.972 -13.563 -1.426 1.00 43.13 H new ATOM 0 HG11 VAL A 9 -6.532 -14.272 0.346 1.00 61.24 H new ATOM 0 HG12 VAL A 9 -6.014 -15.637 -0.672 1.00 61.24 H new ATOM 0 HG13 VAL A 9 -5.314 -15.421 0.949 1.00 61.24 H new ATOM 0 HG21 VAL A 9 -5.038 -12.359 0.732 1.00 63.14 H new ATOM 0 HG22 VAL A 9 -3.745 -13.412 1.351 1.00 63.14 H new ATOM 0 HG23 VAL A 9 -3.420 -12.309 -0.007 1.00 63.14 H new ATOM 135 N ARG A 10 -2.758 -13.631 -2.910 1.00 10.33 N ATOM 136 CA ARG A 10 -1.905 -12.771 -3.709 1.00 71.12 C ATOM 137 C ARG A 10 -2.506 -11.383 -3.809 1.00 71.40 C ATOM 138 O ARG A 10 -3.639 -11.216 -4.271 1.00 12.12 O ATOM 139 CB ARG A 10 -1.678 -13.351 -5.107 1.00 10.10 C ATOM 140 CG ARG A 10 -0.697 -12.540 -5.941 1.00 34.44 C ATOM 141 CD ARG A 10 -0.400 -13.203 -7.272 1.00 11.32 C ATOM 142 NE ARG A 10 0.708 -12.544 -7.970 1.00 0.11 N ATOM 143 CZ ARG A 10 1.160 -12.896 -9.173 1.00 22.44 C ATOM 144 NH1 ARG A 10 0.561 -13.868 -9.856 1.00 43.44 N ATOM 145 NH2 ARG A 10 2.209 -12.271 -9.696 1.00 33.14 N ATOM 0 H ARG A 10 -3.646 -13.877 -3.348 1.00 10.33 H new ATOM 0 HA ARG A 10 -0.937 -12.706 -3.212 1.00 71.12 H new ATOM 0 HB2 ARG A 10 -1.308 -14.372 -5.014 1.00 10.10 H new ATOM 0 HB3 ARG A 10 -2.633 -13.404 -5.631 1.00 10.10 H new ATOM 0 HG2 ARG A 10 -1.105 -11.544 -6.115 1.00 34.44 H new ATOM 0 HG3 ARG A 10 0.232 -12.411 -5.385 1.00 34.44 H new ATOM 0 HD2 ARG A 10 -0.155 -14.253 -7.109 1.00 11.32 H new ATOM 0 HD3 ARG A 10 -1.292 -13.177 -7.898 1.00 11.32 H new ATOM 0 HE ARG A 10 1.165 -11.761 -7.502 1.00 0.11 H new ATOM 0 HH11 ARG A 10 -0.247 -14.347 -9.459 1.00 43.44 H new ATOM 0 HH12 ARG A 10 0.910 -14.134 -10.777 1.00 43.44 H new ATOM 0 HH21 ARG A 10 2.668 -11.522 -9.177 1.00 33.14 H new ATOM 0 HH22 ARG A 10 2.556 -12.540 -10.617 1.00 33.14 H new ATOM 159 N CYS A 11 -1.765 -10.394 -3.362 1.00 74.41 N ATOM 160 CA CYS A 11 -2.231 -9.024 -3.387 1.00 24.23 C ATOM 161 C CYS A 11 -1.091 -8.078 -3.729 1.00 2.21 C ATOM 162 O CYS A 11 0.084 -8.407 -3.534 1.00 51.44 O ATOM 163 CB CYS A 11 -2.833 -8.646 -2.029 1.00 41.45 C ATOM 164 SG CYS A 11 -4.152 -9.750 -1.473 1.00 44.22 S ATOM 0 H CYS A 11 -0.829 -10.514 -2.974 1.00 74.41 H new ATOM 0 HA CYS A 11 -3.000 -8.936 -4.155 1.00 24.23 H new ATOM 0 HB2 CYS A 11 -2.040 -8.640 -1.281 1.00 41.45 H new ATOM 0 HB3 CYS A 11 -3.224 -7.630 -2.087 1.00 41.45 H new ATOM 0 HG CYS A 11 -4.441 -10.592 -2.420 1.00 44.22 H new ATOM 170 N SER A 12 -1.441 -6.923 -4.250 1.00 22.13 N ATOM 171 CA SER A 12 -0.474 -5.899 -4.573 1.00 72.44 C ATOM 172 C SER A 12 -0.562 -4.804 -3.514 1.00 1.20 C ATOM 173 O SER A 12 -1.597 -4.671 -2.841 1.00 53.54 O ATOM 174 CB SER A 12 -0.756 -5.335 -5.971 1.00 43.15 C ATOM 175 OG SER A 12 0.258 -4.440 -6.386 1.00 51.22 O ATOM 0 H SER A 12 -2.406 -6.668 -4.462 1.00 22.13 H new ATOM 0 HA SER A 12 0.533 -6.316 -4.580 1.00 72.44 H new ATOM 0 HB2 SER A 12 -0.834 -6.154 -6.686 1.00 43.15 H new ATOM 0 HB3 SER A 12 -1.717 -4.821 -5.970 1.00 43.15 H new ATOM 0 HG SER A 12 0.184 -4.287 -7.351 1.00 51.22 H new ATOM 181 N HIS A 13 0.498 -4.027 -3.345 1.00 72.20 N ATOM 182 CA HIS A 13 0.495 -3.005 -2.311 1.00 10.22 C ATOM 183 C HIS A 13 1.268 -1.755 -2.715 1.00 51.44 C ATOM 184 O HIS A 13 2.352 -1.834 -3.289 1.00 21.32 O ATOM 185 CB HIS A 13 1.025 -3.568 -0.970 1.00 20.02 C ATOM 186 CG HIS A 13 2.509 -3.863 -0.914 1.00 34.13 C ATOM 187 ND1 HIS A 13 3.238 -3.800 0.255 1.00 55.32 N ATOM 188 CD2 HIS A 13 3.393 -4.229 -1.874 1.00 4.04 C ATOM 189 CE1 HIS A 13 4.495 -4.107 0.009 1.00 71.33 C ATOM 190 NE2 HIS A 13 4.615 -4.371 -1.266 1.00 42.43 N ATOM 0 H HIS A 13 1.354 -4.082 -3.898 1.00 72.20 H new ATOM 0 HA HIS A 13 -0.544 -2.704 -2.177 1.00 10.22 H new ATOM 0 HB2 HIS A 13 0.786 -2.856 -0.180 1.00 20.02 H new ATOM 0 HB3 HIS A 13 0.483 -4.487 -0.745 1.00 20.02 H new ATOM 0 HD1 HIS A 13 2.861 -3.553 1.170 1.00 55.32 H new ATOM 0 HD2 HIS A 13 3.176 -4.380 -2.921 1.00 4.04 H new ATOM 0 HE1 HIS A 13 5.292 -4.136 0.737 1.00 71.33 H new ATOM 199 N LEU A 14 0.696 -0.612 -2.405 1.00 44.23 N ATOM 200 CA LEU A 14 1.329 0.664 -2.664 1.00 54.20 C ATOM 201 C LEU A 14 1.702 1.296 -1.328 1.00 24.34 C ATOM 202 O LEU A 14 0.878 1.360 -0.418 1.00 12.52 O ATOM 203 CB LEU A 14 0.369 1.575 -3.464 1.00 33.14 C ATOM 204 CG LEU A 14 0.982 2.819 -4.139 1.00 51.04 C ATOM 205 CD1 LEU A 14 0.043 3.352 -5.209 1.00 31.13 C ATOM 206 CD2 LEU A 14 1.271 3.911 -3.122 1.00 3.12 C ATOM 0 H LEU A 14 -0.222 -0.540 -1.966 1.00 44.23 H new ATOM 0 HA LEU A 14 2.231 0.528 -3.261 1.00 54.20 H new ATOM 0 HB2 LEU A 14 -0.106 0.970 -4.236 1.00 33.14 H new ATOM 0 HB3 LEU A 14 -0.420 1.910 -2.791 1.00 33.14 H new ATOM 0 HG LEU A 14 1.924 2.519 -4.599 1.00 51.04 H new ATOM 0 HD11 LEU A 14 0.487 4.230 -5.678 1.00 31.13 H new ATOM 0 HD12 LEU A 14 -0.123 2.583 -5.963 1.00 31.13 H new ATOM 0 HD13 LEU A 14 -0.909 3.626 -4.754 1.00 31.13 H new ATOM 0 HD21 LEU A 14 1.702 4.775 -3.628 1.00 3.12 H new ATOM 0 HD22 LEU A 14 0.344 4.205 -2.630 1.00 3.12 H new ATOM 0 HD23 LEU A 14 1.974 3.538 -2.378 1.00 3.12 H new ATOM 218 N LEU A 15 2.939 1.724 -1.201 1.00 14.53 N ATOM 219 CA LEU A 15 3.416 2.326 0.037 1.00 72.22 C ATOM 220 C LEU A 15 3.959 3.723 -0.191 1.00 22.04 C ATOM 221 O LEU A 15 4.812 3.939 -1.061 1.00 71.33 O ATOM 222 CB LEU A 15 4.497 1.442 0.680 1.00 21.22 C ATOM 223 CG LEU A 15 5.436 2.130 1.700 1.00 15.21 C ATOM 224 CD1 LEU A 15 4.666 2.662 2.897 1.00 63.13 C ATOM 225 CD2 LEU A 15 6.527 1.173 2.155 1.00 64.03 C ATOM 0 H LEU A 15 3.640 1.668 -1.940 1.00 14.53 H new ATOM 0 HA LEU A 15 2.564 2.403 0.712 1.00 72.22 H new ATOM 0 HB2 LEU A 15 4.003 0.608 1.179 1.00 21.22 H new ATOM 0 HB3 LEU A 15 5.110 1.019 -0.116 1.00 21.22 H new ATOM 0 HG LEU A 15 5.901 2.979 1.198 1.00 15.21 H new ATOM 0 HD11 LEU A 15 5.358 3.138 3.592 1.00 63.13 H new ATOM 0 HD12 LEU A 15 3.929 3.392 2.561 1.00 63.13 H new ATOM 0 HD13 LEU A 15 4.158 1.838 3.398 1.00 63.13 H new ATOM 0 HD21 LEU A 15 7.176 1.676 2.872 1.00 64.03 H new ATOM 0 HD22 LEU A 15 6.073 0.301 2.626 1.00 64.03 H new ATOM 0 HD23 LEU A 15 7.115 0.855 1.294 1.00 64.03 H new ATOM 237 N VAL A 16 3.453 4.658 0.589 1.00 22.14 N ATOM 238 CA VAL A 16 3.926 6.026 0.577 1.00 32.03 C ATOM 239 C VAL A 16 4.428 6.396 1.969 1.00 71.55 C ATOM 240 O VAL A 16 3.652 6.431 2.934 1.00 63.20 O ATOM 241 CB VAL A 16 2.815 7.019 0.144 1.00 20.20 C ATOM 242 CG1 VAL A 16 3.281 8.458 0.298 1.00 41.22 C ATOM 243 CG2 VAL A 16 2.396 6.755 -1.293 1.00 62.43 C ATOM 0 H VAL A 16 2.697 4.488 1.253 1.00 22.14 H new ATOM 0 HA VAL A 16 4.735 6.097 -0.150 1.00 32.03 H new ATOM 0 HB VAL A 16 1.954 6.866 0.795 1.00 20.20 H new ATOM 0 HG11 VAL A 16 2.484 9.134 -0.012 1.00 41.22 H new ATOM 0 HG12 VAL A 16 3.533 8.649 1.341 1.00 41.22 H new ATOM 0 HG13 VAL A 16 4.160 8.624 -0.324 1.00 41.22 H new ATOM 0 HG21 VAL A 16 1.616 7.460 -1.580 1.00 62.43 H new ATOM 0 HG22 VAL A 16 3.256 6.877 -1.951 1.00 62.43 H new ATOM 0 HG23 VAL A 16 2.015 5.738 -1.380 1.00 62.43 H new ATOM 253 N LYS A 17 5.720 6.630 2.078 1.00 14.11 N ATOM 254 CA LYS A 17 6.332 6.991 3.346 1.00 3.34 C ATOM 255 C LYS A 17 6.170 8.483 3.613 1.00 31.22 C ATOM 256 O LYS A 17 5.743 9.244 2.738 1.00 53.22 O ATOM 257 CB LYS A 17 7.820 6.627 3.355 1.00 24.04 C ATOM 258 CG LYS A 17 8.122 5.133 3.376 1.00 51.21 C ATOM 259 CD LYS A 17 9.614 4.880 3.164 1.00 2.33 C ATOM 260 CE LYS A 17 9.977 3.406 3.313 1.00 1.41 C ATOM 261 NZ LYS A 17 9.982 2.970 4.734 1.00 52.13 N ATOM 0 H LYS A 17 6.374 6.577 1.297 1.00 14.11 H new ATOM 0 HA LYS A 17 5.827 6.430 4.133 1.00 3.34 H new ATOM 0 HB2 LYS A 17 8.290 7.064 2.474 1.00 24.04 H new ATOM 0 HB3 LYS A 17 8.285 7.088 4.226 1.00 24.04 H new ATOM 0 HG2 LYS A 17 7.808 4.707 4.329 1.00 51.21 H new ATOM 0 HG3 LYS A 17 7.549 4.630 2.597 1.00 51.21 H new ATOM 0 HD2 LYS A 17 9.901 5.224 2.170 1.00 2.33 H new ATOM 0 HD3 LYS A 17 10.186 5.467 3.882 1.00 2.33 H new ATOM 0 HE2 LYS A 17 9.266 2.800 2.751 1.00 1.41 H new ATOM 0 HE3 LYS A 17 10.960 3.230 2.877 1.00 1.41 H new ATOM 0 HZ1 LYS A 17 9.661 1.983 4.795 1.00 52.13 H new ATOM 0 HZ2 LYS A 17 10.946 3.045 5.117 1.00 52.13 H new ATOM 0 HZ3 LYS A 17 9.342 3.577 5.286 1.00 52.13 H new ATOM 275 N HIS A 18 6.504 8.894 4.820 1.00 3.00 N ATOM 276 CA HIS A 18 6.422 10.291 5.212 1.00 21.00 C ATOM 277 C HIS A 18 7.497 10.622 6.232 1.00 20.32 C ATOM 278 O HIS A 18 7.863 9.769 7.041 1.00 73.35 O ATOM 279 CB HIS A 18 5.013 10.652 5.745 1.00 4.42 C ATOM 280 CG HIS A 18 4.342 9.582 6.572 1.00 62.04 C ATOM 281 ND1 HIS A 18 4.518 9.444 7.932 1.00 33.21 N ATOM 282 CD2 HIS A 18 3.469 8.606 6.214 1.00 73.33 C ATOM 283 CE1 HIS A 18 3.789 8.436 8.369 1.00 3.05 C ATOM 284 NE2 HIS A 18 3.145 7.914 7.352 1.00 25.34 N ATOM 0 H HIS A 18 6.839 8.273 5.556 1.00 3.00 H new ATOM 0 HA HIS A 18 6.595 10.899 4.324 1.00 21.00 H new ATOM 0 HB2 HIS A 18 5.091 11.557 6.347 1.00 4.42 H new ATOM 0 HB3 HIS A 18 4.371 10.888 4.896 1.00 4.42 H new ATOM 0 HD1 HIS A 18 5.119 10.031 8.511 1.00 33.21 H new ATOM 0 HD2 HIS A 18 3.099 8.411 5.218 1.00 73.33 H new ATOM 0 HE1 HIS A 18 3.732 8.097 9.393 1.00 3.05 H new ATOM 293 N SER A 19 8.000 11.861 6.176 1.00 1.11 N ATOM 294 CA SER A 19 9.073 12.338 7.061 1.00 50.31 C ATOM 295 C SER A 19 8.805 11.977 8.521 1.00 44.34 C ATOM 296 O SER A 19 9.644 11.365 9.188 1.00 44.53 O ATOM 297 CB SER A 19 9.218 13.856 6.922 1.00 4.54 C ATOM 298 OG SER A 19 9.255 14.240 5.557 1.00 31.02 O ATOM 0 H SER A 19 7.674 12.565 5.514 1.00 1.11 H new ATOM 0 HA SER A 19 9.998 11.846 6.761 1.00 50.31 H new ATOM 0 HB2 SER A 19 8.385 14.352 7.420 1.00 4.54 H new ATOM 0 HB3 SER A 19 10.130 14.185 7.421 1.00 4.54 H new ATOM 0 HG SER A 19 9.941 13.719 5.089 1.00 31.02 H new ATOM 304 N GLN A 20 7.634 12.351 9.004 1.00 74.31 N ATOM 305 CA GLN A 20 7.250 12.060 10.370 1.00 61.03 C ATOM 306 C GLN A 20 6.762 10.624 10.485 1.00 54.01 C ATOM 307 O GLN A 20 5.599 10.336 10.205 1.00 62.31 O ATOM 308 CB GLN A 20 6.151 13.023 10.837 1.00 24.21 C ATOM 309 CG GLN A 20 6.551 14.491 10.805 1.00 42.24 C ATOM 310 CD GLN A 20 7.719 14.802 11.720 1.00 43.14 C ATOM 311 OE1 GLN A 20 8.876 14.742 11.312 1.00 34.14 O ATOM 312 NE2 GLN A 20 7.423 15.136 12.960 1.00 42.11 N ATOM 0 H GLN A 20 6.931 12.859 8.467 1.00 74.31 H new ATOM 0 HA GLN A 20 8.124 12.191 11.008 1.00 61.03 H new ATOM 0 HB2 GLN A 20 5.271 12.884 10.209 1.00 24.21 H new ATOM 0 HB3 GLN A 20 5.861 12.759 11.854 1.00 24.21 H new ATOM 0 HG2 GLN A 20 6.811 14.770 9.784 1.00 42.24 H new ATOM 0 HG3 GLN A 20 5.696 15.102 11.094 1.00 42.24 H new ATOM 0 HE21 GLN A 20 6.449 15.174 13.259 1.00 42.11 H new ATOM 0 HE22 GLN A 20 8.168 15.356 13.621 1.00 42.11 H new ATOM 321 N SER A 21 7.664 9.725 10.833 1.00 15.14 N ATOM 322 CA SER A 21 7.324 8.326 11.025 1.00 63.34 C ATOM 323 C SER A 21 8.394 7.619 11.866 1.00 64.23 C ATOM 324 O SER A 21 8.313 7.582 13.093 1.00 72.30 O ATOM 325 CB SER A 21 7.141 7.624 9.672 1.00 14.13 C ATOM 326 OG SER A 21 8.282 7.803 8.831 1.00 0.52 O ATOM 0 H SER A 21 8.648 9.942 10.990 1.00 15.14 H new ATOM 0 HA SER A 21 6.379 8.274 11.566 1.00 63.34 H new ATOM 0 HB2 SER A 21 6.970 6.560 9.833 1.00 14.13 H new ATOM 0 HB3 SER A 21 6.255 8.017 9.174 1.00 14.13 H new ATOM 0 HG SER A 21 8.164 8.610 8.287 1.00 0.52 H new ATOM 332 N ARG A 22 9.393 7.075 11.193 1.00 65.22 N ATOM 333 CA ARG A 22 10.515 6.409 11.838 1.00 50.24 C ATOM 334 C ARG A 22 11.761 6.631 11.003 1.00 20.31 C ATOM 335 O ARG A 22 12.719 7.262 11.442 1.00 54.31 O ATOM 336 CB ARG A 22 10.266 4.895 12.002 1.00 73.11 C ATOM 337 CG ARG A 22 9.082 4.531 12.888 1.00 32.21 C ATOM 338 CD ARG A 22 9.097 3.053 13.247 1.00 43.21 C ATOM 339 NE ARG A 22 7.922 2.660 14.030 1.00 3.11 N ATOM 340 CZ ARG A 22 7.959 1.925 15.151 1.00 10.21 C ATOM 341 NH1 ARG A 22 9.122 1.583 15.701 1.00 24.54 N ATOM 342 NH2 ARG A 22 6.827 1.551 15.731 1.00 34.05 N ATOM 0 H ARG A 22 9.450 7.082 10.175 1.00 65.22 H new ATOM 0 HA ARG A 22 10.639 6.833 12.835 1.00 50.24 H new ATOM 0 HB2 ARG A 22 10.110 4.458 11.015 1.00 73.11 H new ATOM 0 HB3 ARG A 22 11.165 4.437 12.415 1.00 73.11 H new ATOM 0 HG2 ARG A 22 9.109 5.129 13.799 1.00 32.21 H new ATOM 0 HG3 ARG A 22 8.152 4.774 12.374 1.00 32.21 H new ATOM 0 HD2 ARG A 22 9.137 2.460 12.334 1.00 43.21 H new ATOM 0 HD3 ARG A 22 10.001 2.828 13.814 1.00 43.21 H new ATOM 0 HE ARG A 22 7.008 2.968 13.698 1.00 3.11 H new ATOM 0 HH11 ARG A 22 9.997 1.880 15.270 1.00 24.54 H new ATOM 0 HH12 ARG A 22 9.138 1.024 16.554 1.00 24.54 H new ATOM 0 HH21 ARG A 22 5.932 1.822 15.324 1.00 34.05 H new ATOM 0 HH22 ARG A 22 6.851 0.992 16.584 1.00 34.05 H new ATOM 356 N ARG A 23 11.727 6.126 9.782 1.00 32.12 N ATOM 357 CA ARG A 23 12.826 6.280 8.852 1.00 30.25 C ATOM 358 C ARG A 23 12.279 6.567 7.457 1.00 54.32 C ATOM 359 O ARG A 23 11.890 5.649 6.730 1.00 53.01 O ATOM 360 CB ARG A 23 13.693 5.019 8.835 1.00 22.45 C ATOM 361 CG ARG A 23 14.944 5.132 7.975 1.00 65.22 C ATOM 362 CD ARG A 23 15.726 3.827 7.972 1.00 24.02 C ATOM 363 NE ARG A 23 16.103 3.414 9.326 1.00 72.22 N ATOM 364 CZ ARG A 23 16.350 2.152 9.693 1.00 11.12 C ATOM 365 NH1 ARG A 23 16.263 1.167 8.809 1.00 64.14 N ATOM 366 NH2 ARG A 23 16.682 1.882 10.948 1.00 51.22 N ATOM 0 H ARG A 23 10.937 5.599 9.410 1.00 32.12 H new ATOM 0 HA ARG A 23 13.447 7.117 9.171 1.00 30.25 H new ATOM 0 HB2 ARG A 23 13.989 4.781 9.857 1.00 22.45 H new ATOM 0 HB3 ARG A 23 13.092 4.184 8.475 1.00 22.45 H new ATOM 0 HG2 ARG A 23 14.665 5.395 6.955 1.00 65.22 H new ATOM 0 HG3 ARG A 23 15.576 5.937 8.350 1.00 65.22 H new ATOM 0 HD2 ARG A 23 15.125 3.045 7.508 1.00 24.02 H new ATOM 0 HD3 ARG A 23 16.624 3.943 7.364 1.00 24.02 H new ATOM 0 HE ARG A 23 16.183 4.140 10.038 1.00 72.22 H new ATOM 0 HH11 ARG A 23 16.006 1.370 7.843 1.00 64.14 H new ATOM 0 HH12 ARG A 23 16.453 0.207 9.095 1.00 64.14 H new ATOM 0 HH21 ARG A 23 16.749 2.636 11.631 1.00 51.22 H new ATOM 0 HH22 ARG A 23 16.871 0.920 11.230 1.00 51.22 H new ATOM 380 N PRO A 24 12.219 7.847 7.076 1.00 4.23 N ATOM 381 CA PRO A 24 11.697 8.265 5.775 1.00 71.33 C ATOM 382 C PRO A 24 12.726 8.089 4.654 1.00 0.01 C ATOM 383 O PRO A 24 12.987 9.010 3.887 1.00 3.11 O ATOM 384 CB PRO A 24 11.395 9.745 5.994 1.00 61.34 C ATOM 385 CG PRO A 24 12.401 10.186 6.996 1.00 44.13 C ATOM 386 CD PRO A 24 12.656 9.000 7.890 1.00 53.13 C ATOM 0 HA PRO A 24 10.835 7.675 5.463 1.00 71.33 H new ATOM 0 HB2 PRO A 24 11.485 10.310 5.066 1.00 61.34 H new ATOM 0 HB3 PRO A 24 10.379 9.893 6.360 1.00 61.34 H new ATOM 0 HG2 PRO A 24 13.320 10.509 6.508 1.00 44.13 H new ATOM 0 HG3 PRO A 24 12.030 11.034 7.572 1.00 44.13 H new ATOM 0 HD2 PRO A 24 13.709 8.922 8.162 1.00 53.13 H new ATOM 0 HD3 PRO A 24 12.091 9.071 8.820 1.00 53.13 H new ATOM 394 N SER A 25 13.293 6.909 4.560 1.00 23.14 N ATOM 395 CA SER A 25 14.277 6.624 3.540 1.00 15.03 C ATOM 396 C SER A 25 13.775 5.503 2.636 1.00 22.15 C ATOM 397 O SER A 25 13.215 4.508 3.117 1.00 3.31 O ATOM 398 CB SER A 25 15.610 6.238 4.186 1.00 53.03 C ATOM 399 OG SER A 25 16.668 6.271 3.243 1.00 51.54 O ATOM 0 H SER A 25 13.089 6.126 5.181 1.00 23.14 H new ATOM 0 HA SER A 25 14.434 7.517 2.935 1.00 15.03 H new ATOM 0 HB2 SER A 25 15.830 6.921 5.007 1.00 53.03 H new ATOM 0 HB3 SER A 25 15.533 5.239 4.615 1.00 53.03 H new ATOM 0 HG SER A 25 16.854 7.200 2.993 1.00 51.54 H new ATOM 405 N SER A 26 13.955 5.671 1.340 1.00 61.13 N ATOM 406 CA SER A 26 13.513 4.687 0.374 1.00 23.23 C ATOM 407 C SER A 26 14.415 4.716 -0.853 1.00 64.21 C ATOM 408 O SER A 26 15.507 5.288 -0.819 1.00 44.14 O ATOM 409 CB SER A 26 12.081 5.000 -0.042 1.00 22.24 C ATOM 410 OG SER A 26 12.015 6.255 -0.711 1.00 73.31 O ATOM 0 H SER A 26 14.409 6.488 0.930 1.00 61.13 H new ATOM 0 HA SER A 26 13.559 3.696 0.825 1.00 23.23 H new ATOM 0 HB2 SER A 26 11.707 4.213 -0.697 1.00 22.24 H new ATOM 0 HB3 SER A 26 11.437 5.016 0.837 1.00 22.24 H new ATOM 0 HG SER A 26 12.316 6.965 -0.106 1.00 73.31 H new ATOM 415 N TRP A 27 13.963 4.091 -1.933 1.00 71.23 N ATOM 416 CA TRP A 27 14.696 4.115 -3.184 1.00 74.04 C ATOM 417 C TRP A 27 14.254 5.326 -4.005 1.00 41.33 C ATOM 418 O TRP A 27 14.798 5.611 -5.077 1.00 42.40 O ATOM 419 CB TRP A 27 14.477 2.811 -3.976 1.00 34.32 C ATOM 420 CG TRP A 27 13.095 2.649 -4.550 1.00 40.13 C ATOM 421 CD1 TRP A 27 11.954 2.319 -3.877 1.00 3.31 C ATOM 422 CD2 TRP A 27 12.720 2.794 -5.927 1.00 1.32 C ATOM 423 NE1 TRP A 27 10.894 2.263 -4.748 1.00 14.15 N ATOM 424 CE2 TRP A 27 11.338 2.549 -6.012 1.00 73.13 C ATOM 425 CE3 TRP A 27 13.420 3.113 -7.096 1.00 2.04 C ATOM 426 CZ2 TRP A 27 10.643 2.612 -7.218 1.00 23.12 C ATOM 427 CZ3 TRP A 27 12.729 3.173 -8.290 1.00 50.40 C ATOM 428 CH2 TRP A 27 11.354 2.925 -8.343 1.00 4.11 C ATOM 0 H TRP A 27 13.091 3.562 -1.964 1.00 71.23 H new ATOM 0 HA TRP A 27 15.762 4.195 -2.970 1.00 74.04 H new ATOM 0 HB2 TRP A 27 15.201 2.770 -4.790 1.00 34.32 H new ATOM 0 HB3 TRP A 27 14.685 1.965 -3.321 1.00 34.32 H new ATOM 0 HD1 TRP A 27 11.894 2.130 -2.815 1.00 3.31 H new ATOM 0 HE1 TRP A 27 9.931 2.044 -4.495 1.00 14.15 H new ATOM 0 HE3 TRP A 27 14.482 3.309 -7.065 1.00 2.04 H new ATOM 0 HZ2 TRP A 27 9.581 2.420 -7.262 1.00 23.12 H new ATOM 0 HZ3 TRP A 27 13.260 3.416 -9.199 1.00 50.40 H new ATOM 0 HH2 TRP A 27 10.843 2.982 -9.293 1.00 4.11 H new ATOM 439 N ARG A 28 13.261 6.034 -3.478 1.00 41.22 N ATOM 440 CA ARG A 28 12.725 7.217 -4.116 1.00 51.11 C ATOM 441 C ARG A 28 13.491 8.433 -3.647 1.00 32.35 C ATOM 442 O ARG A 28 14.043 9.183 -4.450 1.00 64.34 O ATOM 443 CB ARG A 28 11.243 7.365 -3.778 1.00 60.32 C ATOM 444 CG ARG A 28 10.398 6.184 -4.220 1.00 32.22 C ATOM 445 CD ARG A 28 10.253 6.140 -5.726 1.00 71.23 C ATOM 446 NE ARG A 28 9.437 7.246 -6.220 1.00 21.43 N ATOM 447 CZ ARG A 28 9.628 7.872 -7.377 1.00 4.13 C ATOM 448 NH1 ARG A 28 10.665 7.551 -8.150 1.00 12.00 N ATOM 449 NH2 ARG A 28 8.791 8.835 -7.753 1.00 30.23 N ATOM 0 H ARG A 28 12.809 5.798 -2.595 1.00 41.22 H new ATOM 0 HA ARG A 28 12.829 7.124 -5.197 1.00 51.11 H new ATOM 0 HB2 ARG A 28 11.136 7.495 -2.701 1.00 60.32 H new ATOM 0 HB3 ARG A 28 10.860 8.271 -4.248 1.00 60.32 H new ATOM 0 HG2 ARG A 28 10.854 5.258 -3.870 1.00 32.22 H new ATOM 0 HG3 ARG A 28 9.412 6.248 -3.760 1.00 32.22 H new ATOM 0 HD2 ARG A 28 11.239 6.180 -6.188 1.00 71.23 H new ATOM 0 HD3 ARG A 28 9.801 5.193 -6.021 1.00 71.23 H new ATOM 0 HE ARG A 28 8.664 7.561 -5.634 1.00 21.43 H new ATOM 0 HH11 ARG A 28 11.315 6.823 -7.854 1.00 12.00 H new ATOM 0 HH12 ARG A 28 10.808 8.033 -9.037 1.00 12.00 H new ATOM 0 HH21 ARG A 28 8.006 9.091 -7.154 1.00 30.23 H new ATOM 0 HH22 ARG A 28 8.934 9.318 -8.640 1.00 30.23 H new ATOM 463 N GLN A 29 13.529 8.624 -2.343 1.00 51.22 N ATOM 464 CA GLN A 29 14.273 9.719 -1.758 1.00 2.31 C ATOM 465 C GLN A 29 15.143 9.195 -0.630 1.00 64.51 C ATOM 466 O GLN A 29 14.705 8.347 0.157 1.00 12.14 O ATOM 467 CB GLN A 29 13.334 10.816 -1.220 1.00 43.44 C ATOM 468 CG GLN A 29 12.332 11.351 -2.239 1.00 64.55 C ATOM 469 CD GLN A 29 11.584 12.591 -1.752 1.00 73.23 C ATOM 470 OE1 GLN A 29 10.420 12.800 -2.090 1.00 42.12 O ATOM 471 NE2 GLN A 29 12.252 13.430 -0.977 1.00 23.03 N ATOM 0 H GLN A 29 13.050 8.030 -1.666 1.00 51.22 H new ATOM 0 HA GLN A 29 14.895 10.160 -2.536 1.00 2.31 H new ATOM 0 HB2 GLN A 29 12.786 10.420 -0.365 1.00 43.44 H new ATOM 0 HB3 GLN A 29 13.939 11.646 -0.854 1.00 43.44 H new ATOM 0 HG2 GLN A 29 12.857 11.591 -3.164 1.00 64.55 H new ATOM 0 HG3 GLN A 29 11.611 10.569 -2.475 1.00 64.55 H new ATOM 0 HE21 GLN A 29 13.217 13.225 -0.716 1.00 23.03 H new ATOM 0 HE22 GLN A 29 11.802 14.281 -0.641 1.00 23.03 H new ATOM 480 N GLU A 30 16.382 9.671 -0.568 1.00 40.32 N ATOM 481 CA GLU A 30 17.292 9.296 0.507 1.00 22.03 C ATOM 482 C GLU A 30 16.684 9.723 1.836 1.00 60.44 C ATOM 483 O GLU A 30 16.772 9.015 2.843 1.00 42.13 O ATOM 484 CB GLU A 30 18.651 9.959 0.296 1.00 5.24 C ATOM 485 CG GLU A 30 19.704 9.568 1.312 1.00 53.13 C ATOM 486 CD GLU A 30 21.029 10.228 1.033 1.00 23.42 C ATOM 487 OE1 GLU A 30 21.195 11.409 1.394 1.00 65.24 O ATOM 488 OE2 GLU A 30 21.912 9.573 0.448 1.00 62.13 O ATOM 0 H GLU A 30 16.779 10.317 -1.250 1.00 40.32 H new ATOM 0 HA GLU A 30 17.440 8.216 0.510 1.00 22.03 H new ATOM 0 HB2 GLU A 30 19.014 9.706 -0.700 1.00 5.24 H new ATOM 0 HB3 GLU A 30 18.522 11.041 0.323 1.00 5.24 H new ATOM 0 HG2 GLU A 30 19.365 9.844 2.310 1.00 53.13 H new ATOM 0 HG3 GLU A 30 19.830 8.485 1.306 1.00 53.13 H new ATOM 495 N LYS A 31 16.068 10.886 1.816 1.00 4.53 N ATOM 496 CA LYS A 31 15.323 11.394 2.937 1.00 75.24 C ATOM 497 C LYS A 31 14.044 12.051 2.423 1.00 4.11 C ATOM 498 O LYS A 31 14.059 13.177 1.919 1.00 0.33 O ATOM 499 CB LYS A 31 16.164 12.361 3.803 1.00 22.12 C ATOM 500 CG LYS A 31 16.797 13.527 3.054 1.00 33.31 C ATOM 501 CD LYS A 31 17.542 14.448 4.012 1.00 33.43 C ATOM 502 CE LYS A 31 18.138 15.653 3.296 1.00 30.15 C ATOM 503 NZ LYS A 31 19.150 15.264 2.284 1.00 45.42 N ATOM 0 H LYS A 31 16.074 11.509 1.009 1.00 4.53 H new ATOM 0 HA LYS A 31 15.059 10.565 3.593 1.00 75.24 H new ATOM 0 HB2 LYS A 31 15.528 12.761 4.593 1.00 22.12 H new ATOM 0 HB3 LYS A 31 16.956 11.791 4.289 1.00 22.12 H new ATOM 0 HG2 LYS A 31 17.485 13.148 2.298 1.00 33.31 H new ATOM 0 HG3 LYS A 31 16.025 14.089 2.529 1.00 33.31 H new ATOM 0 HD2 LYS A 31 16.860 14.790 4.791 1.00 33.43 H new ATOM 0 HD3 LYS A 31 18.337 13.890 4.507 1.00 33.43 H new ATOM 0 HE2 LYS A 31 17.340 16.215 2.811 1.00 30.15 H new ATOM 0 HE3 LYS A 31 18.597 16.317 4.028 1.00 30.15 H new ATOM 0 HZ1 LYS A 31 19.611 16.117 1.909 1.00 45.42 H new ATOM 0 HZ2 LYS A 31 19.864 14.650 2.725 1.00 45.42 H new ATOM 0 HZ3 LYS A 31 18.685 14.752 1.507 1.00 45.42 H new ATOM 517 N ILE A 32 12.953 11.308 2.501 1.00 42.12 N ATOM 518 CA ILE A 32 11.663 11.758 2.011 1.00 54.03 C ATOM 519 C ILE A 32 11.227 13.043 2.696 1.00 23.52 C ATOM 520 O ILE A 32 11.115 13.112 3.923 1.00 43.55 O ATOM 521 CB ILE A 32 10.590 10.658 2.162 1.00 51.33 C ATOM 522 CG1 ILE A 32 10.971 9.455 1.291 1.00 32.34 C ATOM 523 CG2 ILE A 32 9.214 11.185 1.779 1.00 4.32 C ATOM 524 CD1 ILE A 32 10.048 8.276 1.434 1.00 62.52 C ATOM 0 H ILE A 32 12.938 10.373 2.908 1.00 42.12 H new ATOM 0 HA ILE A 32 11.775 11.970 0.948 1.00 54.03 H new ATOM 0 HB ILE A 32 10.545 10.346 3.206 1.00 51.33 H new ATOM 0 HG12 ILE A 32 10.986 9.767 0.247 1.00 32.34 H new ATOM 0 HG13 ILE A 32 11.984 9.143 1.545 1.00 32.34 H new ATOM 0 HG21 ILE A 32 8.476 10.391 1.894 1.00 4.32 H new ATOM 0 HG22 ILE A 32 8.951 12.021 2.427 1.00 4.32 H new ATOM 0 HG23 ILE A 32 9.228 11.520 0.742 1.00 4.32 H new ATOM 0 HD11 ILE A 32 10.387 7.468 0.785 1.00 62.52 H new ATOM 0 HD12 ILE A 32 10.051 7.935 2.469 1.00 62.52 H new ATOM 0 HD13 ILE A 32 9.037 8.569 1.151 1.00 62.52 H new ATOM 536 N THR A 33 10.987 14.049 1.883 1.00 21.14 N ATOM 537 CA THR A 33 10.659 15.377 2.348 1.00 13.13 C ATOM 538 C THR A 33 9.161 15.579 2.582 1.00 1.21 C ATOM 539 O THR A 33 8.757 16.569 3.196 1.00 64.15 O ATOM 540 CB THR A 33 11.156 16.408 1.329 1.00 63.51 C ATOM 541 OG1 THR A 33 10.907 15.912 -0.001 1.00 55.55 O ATOM 542 CG2 THR A 33 12.643 16.662 1.502 1.00 42.11 C ATOM 0 H THR A 33 11.015 13.965 0.867 1.00 21.14 H new ATOM 0 HA THR A 33 11.153 15.509 3.311 1.00 13.13 H new ATOM 0 HB THR A 33 10.624 17.346 1.488 1.00 63.51 H new ATOM 0 HG1 THR A 33 11.221 16.567 -0.659 1.00 55.55 H new ATOM 0 HG21 THR A 33 12.974 17.397 0.768 1.00 42.11 H new ATOM 0 HG22 THR A 33 12.833 17.041 2.506 1.00 42.11 H new ATOM 0 HG23 THR A 33 13.191 15.731 1.356 1.00 42.11 H new ATOM 550 N ARG A 34 8.340 14.660 2.100 1.00 41.32 N ATOM 551 CA ARG A 34 6.896 14.803 2.253 1.00 3.24 C ATOM 552 C ARG A 34 6.455 14.374 3.654 1.00 34.32 C ATOM 553 O ARG A 34 6.861 13.320 4.154 1.00 3.52 O ATOM 554 CB ARG A 34 6.142 14.006 1.169 1.00 41.33 C ATOM 555 CG ARG A 34 5.950 12.530 1.476 1.00 42.50 C ATOM 556 CD ARG A 34 5.345 11.782 0.300 1.00 34.10 C ATOM 557 NE ARG A 34 6.344 11.449 -0.724 1.00 71.14 N ATOM 558 CZ ARG A 34 6.822 10.208 -0.914 1.00 64.51 C ATOM 559 NH1 ARG A 34 6.468 9.234 -0.090 1.00 12.04 N ATOM 560 NH2 ARG A 34 7.675 9.947 -1.902 1.00 4.45 N ATOM 0 H ARG A 34 8.639 13.819 1.607 1.00 41.32 H new ATOM 0 HA ARG A 34 6.646 15.856 2.126 1.00 3.24 H new ATOM 0 HB2 ARG A 34 5.163 14.461 1.019 1.00 41.33 H new ATOM 0 HB3 ARG A 34 6.684 14.099 0.228 1.00 41.33 H new ATOM 0 HG2 ARG A 34 6.911 12.085 1.734 1.00 42.50 H new ATOM 0 HG3 ARG A 34 5.304 12.421 2.347 1.00 42.50 H new ATOM 0 HD2 ARG A 34 4.876 10.866 0.658 1.00 34.10 H new ATOM 0 HD3 ARG A 34 4.558 12.389 -0.148 1.00 34.10 H new ATOM 0 HE ARG A 34 6.693 12.199 -1.322 1.00 71.14 H new ATOM 0 HH11 ARG A 34 5.834 9.427 0.686 1.00 12.04 H new ATOM 0 HH12 ARG A 34 6.829 8.290 -0.231 1.00 12.04 H new ATOM 0 HH21 ARG A 34 7.975 10.695 -2.528 1.00 4.45 H new ATOM 0 HH22 ARG A 34 8.029 8.999 -2.033 1.00 4.45 H new ATOM 574 N THR A 35 5.645 15.194 4.290 1.00 4.14 N ATOM 575 CA THR A 35 5.160 14.888 5.620 1.00 12.33 C ATOM 576 C THR A 35 3.920 13.985 5.549 1.00 40.44 C ATOM 577 O THR A 35 3.509 13.565 4.464 1.00 24.43 O ATOM 578 CB THR A 35 4.842 16.179 6.423 1.00 51.54 C ATOM 579 OG1 THR A 35 4.530 15.852 7.786 1.00 3.21 O ATOM 580 CG2 THR A 35 3.676 16.939 5.804 1.00 42.43 C ATOM 0 H THR A 35 5.308 16.078 3.908 1.00 4.14 H new ATOM 0 HA THR A 35 5.954 14.356 6.144 1.00 12.33 H new ATOM 0 HB THR A 35 5.726 16.815 6.394 1.00 51.54 H new ATOM 0 HG1 THR A 35 3.566 15.949 7.933 1.00 3.21 H new ATOM 0 HG21 THR A 35 3.477 17.838 6.388 1.00 42.43 H new ATOM 0 HG22 THR A 35 3.926 17.219 4.781 1.00 42.43 H new ATOM 0 HG23 THR A 35 2.789 16.305 5.800 1.00 42.43 H new ATOM 588 N LYS A 36 3.335 13.690 6.706 1.00 33.14 N ATOM 589 CA LYS A 36 2.163 12.827 6.784 1.00 41.40 C ATOM 590 C LYS A 36 0.993 13.442 6.027 1.00 50.02 C ATOM 591 O LYS A 36 0.277 12.750 5.312 1.00 2.45 O ATOM 592 CB LYS A 36 1.774 12.580 8.247 1.00 51.35 C ATOM 593 CG LYS A 36 0.555 11.682 8.420 1.00 53.44 C ATOM 594 CD LYS A 36 0.154 11.563 9.881 1.00 33.11 C ATOM 595 CE LYS A 36 -1.127 10.758 10.041 1.00 4.34 C ATOM 596 NZ LYS A 36 -1.545 10.657 11.460 1.00 11.14 N ATOM 0 H LYS A 36 3.657 14.040 7.608 1.00 33.14 H new ATOM 0 HA LYS A 36 2.412 11.872 6.322 1.00 41.40 H new ATOM 0 HB2 LYS A 36 2.620 12.131 8.767 1.00 51.35 H new ATOM 0 HB3 LYS A 36 1.578 13.539 8.727 1.00 51.35 H new ATOM 0 HG2 LYS A 36 -0.279 12.084 7.844 1.00 53.44 H new ATOM 0 HG3 LYS A 36 0.771 10.692 8.019 1.00 53.44 H new ATOM 0 HD2 LYS A 36 0.957 11.087 10.443 1.00 33.11 H new ATOM 0 HD3 LYS A 36 0.016 12.558 10.304 1.00 33.11 H new ATOM 0 HE2 LYS A 36 -1.923 11.224 9.461 1.00 4.34 H new ATOM 0 HE3 LYS A 36 -0.980 9.758 9.634 1.00 4.34 H new ATOM 0 HZ1 LYS A 36 -2.421 10.101 11.525 1.00 11.14 H new ATOM 0 HZ2 LYS A 36 -0.797 10.189 12.010 1.00 11.14 H new ATOM 0 HZ3 LYS A 36 -1.711 11.610 11.842 1.00 11.14 H new ATOM 610 N GLU A 37 0.828 14.750 6.177 1.00 14.01 N ATOM 611 CA GLU A 37 -0.251 15.478 5.523 1.00 20.14 C ATOM 612 C GLU A 37 -0.166 15.331 4.002 1.00 12.35 C ATOM 613 O GLU A 37 -1.162 15.034 3.338 1.00 31.30 O ATOM 614 CB GLU A 37 -0.201 16.959 5.920 1.00 53.33 C ATOM 615 CG GLU A 37 -0.248 17.194 7.424 1.00 51.23 C ATOM 616 CD GLU A 37 -0.223 18.662 7.794 1.00 23.44 C ATOM 617 OE1 GLU A 37 0.882 19.243 7.875 1.00 55.12 O ATOM 618 OE2 GLU A 37 -1.307 19.245 8.011 1.00 41.42 O ATOM 0 H GLU A 37 1.435 15.333 6.753 1.00 14.01 H new ATOM 0 HA GLU A 37 -1.200 15.055 5.851 1.00 20.14 H new ATOM 0 HB2 GLU A 37 0.711 17.402 5.521 1.00 53.33 H new ATOM 0 HB3 GLU A 37 -1.038 17.479 5.454 1.00 53.33 H new ATOM 0 HG2 GLU A 37 -1.151 16.738 7.829 1.00 51.23 H new ATOM 0 HG3 GLU A 37 0.600 16.693 7.891 1.00 51.23 H new ATOM 625 N GLU A 38 1.036 15.510 3.470 1.00 41.10 N ATOM 626 CA GLU A 38 1.270 15.408 2.036 1.00 64.54 C ATOM 627 C GLU A 38 1.113 13.968 1.554 1.00 23.32 C ATOM 628 O GLU A 38 0.723 13.723 0.414 1.00 24.53 O ATOM 629 CB GLU A 38 2.665 15.919 1.698 1.00 20.51 C ATOM 630 CG GLU A 38 2.900 17.362 2.100 1.00 32.02 C ATOM 631 CD GLU A 38 4.325 17.793 1.879 1.00 61.32 C ATOM 632 OE1 GLU A 38 5.178 17.499 2.744 1.00 51.02 O ATOM 633 OE2 GLU A 38 4.608 18.426 0.838 1.00 61.41 O ATOM 0 H GLU A 38 1.870 15.728 4.015 1.00 41.10 H new ATOM 0 HA GLU A 38 0.527 16.021 1.526 1.00 64.54 H new ATOM 0 HB2 GLU A 38 3.403 15.288 2.193 1.00 20.51 H new ATOM 0 HB3 GLU A 38 2.829 15.819 0.625 1.00 20.51 H new ATOM 0 HG2 GLU A 38 2.235 18.009 1.528 1.00 32.02 H new ATOM 0 HG3 GLU A 38 2.643 17.490 3.152 1.00 32.02 H new ATOM 640 N ALA A 39 1.425 13.023 2.423 1.00 74.51 N ATOM 641 CA ALA A 39 1.309 11.614 2.089 1.00 50.43 C ATOM 642 C ALA A 39 -0.150 11.174 2.092 1.00 40.11 C ATOM 643 O ALA A 39 -0.578 10.408 1.229 1.00 31.34 O ATOM 644 CB ALA A 39 2.122 10.771 3.061 1.00 44.01 C ATOM 0 H ALA A 39 1.762 13.206 3.368 1.00 74.51 H new ATOM 0 HA ALA A 39 1.705 11.467 1.084 1.00 50.43 H new ATOM 0 HB1 ALA A 39 2.025 9.718 2.798 1.00 44.01 H new ATOM 0 HB2 ALA A 39 3.171 11.064 3.007 1.00 44.01 H new ATOM 0 HB3 ALA A 39 1.753 10.927 4.075 1.00 44.01 H new ATOM 650 N LEU A 40 -0.909 11.673 3.058 1.00 63.03 N ATOM 651 CA LEU A 40 -2.318 11.325 3.189 1.00 23.23 C ATOM 652 C LEU A 40 -3.112 11.775 1.968 1.00 5.13 C ATOM 653 O LEU A 40 -3.883 10.994 1.391 1.00 61.14 O ATOM 654 CB LEU A 40 -2.908 11.943 4.462 1.00 3.44 C ATOM 655 CG LEU A 40 -4.385 11.634 4.730 1.00 51.22 C ATOM 656 CD1 LEU A 40 -4.606 10.135 4.874 1.00 12.41 C ATOM 657 CD2 LEU A 40 -4.863 12.366 5.972 1.00 50.35 C ATOM 0 H LEU A 40 -0.570 12.324 3.767 1.00 63.03 H new ATOM 0 HA LEU A 40 -2.389 10.240 3.259 1.00 23.23 H new ATOM 0 HB2 LEU A 40 -2.324 11.599 5.315 1.00 3.44 H new ATOM 0 HB3 LEU A 40 -2.786 13.025 4.408 1.00 3.44 H new ATOM 0 HG LEU A 40 -4.968 11.982 3.877 1.00 51.22 H new ATOM 0 HD11 LEU A 40 -5.661 9.939 5.064 1.00 12.41 H new ATOM 0 HD12 LEU A 40 -4.303 9.633 3.955 1.00 12.41 H new ATOM 0 HD13 LEU A 40 -4.012 9.758 5.706 1.00 12.41 H new ATOM 0 HD21 LEU A 40 -5.914 12.136 6.148 1.00 50.35 H new ATOM 0 HD22 LEU A 40 -4.273 12.048 6.831 1.00 50.35 H new ATOM 0 HD23 LEU A 40 -4.746 13.440 5.829 1.00 50.35 H new ATOM 669 N GLU A 41 -2.923 13.027 1.567 1.00 55.41 N ATOM 670 CA GLU A 41 -3.620 13.560 0.406 1.00 73.44 C ATOM 671 C GLU A 41 -3.189 12.824 -0.860 1.00 30.32 C ATOM 672 O GLU A 41 -3.987 12.626 -1.778 1.00 34.44 O ATOM 673 CB GLU A 41 -3.374 15.067 0.256 1.00 12.42 C ATOM 674 CG GLU A 41 -1.922 15.443 0.022 1.00 52.11 C ATOM 675 CD GLU A 41 -1.744 16.908 -0.288 1.00 32.04 C ATOM 676 OE1 GLU A 41 -1.852 17.285 -1.474 1.00 72.14 O ATOM 677 OE2 GLU A 41 -1.502 17.694 0.648 1.00 5.55 O ATOM 0 H GLU A 41 -2.296 13.688 2.027 1.00 55.41 H new ATOM 0 HA GLU A 41 -4.688 13.405 0.556 1.00 73.44 H new ATOM 0 HB2 GLU A 41 -3.972 15.440 -0.575 1.00 12.42 H new ATOM 0 HB3 GLU A 41 -3.728 15.572 1.155 1.00 12.42 H new ATOM 0 HG2 GLU A 41 -1.338 15.189 0.907 1.00 52.11 H new ATOM 0 HG3 GLU A 41 -1.526 14.850 -0.802 1.00 52.11 H new ATOM 684 N LEU A 42 -1.930 12.404 -0.887 1.00 4.44 N ATOM 685 CA LEU A 42 -1.380 11.687 -2.019 1.00 63.53 C ATOM 686 C LEU A 42 -2.077 10.338 -2.174 1.00 71.20 C ATOM 687 O LEU A 42 -2.471 9.953 -3.276 1.00 44.02 O ATOM 688 CB LEU A 42 0.125 11.492 -1.829 1.00 34.31 C ATOM 689 CG LEU A 42 0.884 10.954 -3.033 1.00 10.14 C ATOM 690 CD1 LEU A 42 0.839 11.946 -4.182 1.00 12.34 C ATOM 691 CD2 LEU A 42 2.321 10.630 -2.660 1.00 64.23 C ATOM 0 H LEU A 42 -1.268 12.553 -0.125 1.00 4.44 H new ATOM 0 HA LEU A 42 -1.546 12.269 -2.925 1.00 63.53 H new ATOM 0 HB2 LEU A 42 0.563 12.449 -1.546 1.00 34.31 H new ATOM 0 HB3 LEU A 42 0.281 10.811 -0.992 1.00 34.31 H new ATOM 0 HG LEU A 42 0.400 10.033 -3.358 1.00 10.14 H new ATOM 0 HD11 LEU A 42 1.388 11.542 -5.033 1.00 12.34 H new ATOM 0 HD12 LEU A 42 -0.197 12.123 -4.469 1.00 12.34 H new ATOM 0 HD13 LEU A 42 1.295 12.886 -3.870 1.00 12.34 H new ATOM 0 HD21 LEU A 42 2.846 10.247 -3.535 1.00 64.23 H new ATOM 0 HD22 LEU A 42 2.817 11.533 -2.305 1.00 64.23 H new ATOM 0 HD23 LEU A 42 2.331 9.877 -1.872 1.00 64.23 H new ATOM 703 N ILE A 43 -2.239 9.637 -1.052 1.00 14.43 N ATOM 704 CA ILE A 43 -2.919 8.344 -1.032 1.00 71.33 C ATOM 705 C ILE A 43 -4.334 8.475 -1.582 1.00 55.33 C ATOM 706 O ILE A 43 -4.732 7.733 -2.483 1.00 55.04 O ATOM 707 CB ILE A 43 -2.980 7.764 0.407 1.00 12.42 C ATOM 708 CG1 ILE A 43 -1.572 7.433 0.914 1.00 43.44 C ATOM 709 CG2 ILE A 43 -3.879 6.531 0.469 1.00 43.23 C ATOM 710 CD1 ILE A 43 -0.867 6.355 0.118 1.00 72.24 C ATOM 0 H ILE A 43 -1.905 9.947 -0.139 1.00 14.43 H new ATOM 0 HA ILE A 43 -2.346 7.663 -1.661 1.00 71.33 H new ATOM 0 HB ILE A 43 -3.412 8.525 1.057 1.00 12.42 H new ATOM 0 HG12 ILE A 43 -0.967 8.340 0.893 1.00 43.44 H new ATOM 0 HG13 ILE A 43 -1.637 7.117 1.955 1.00 43.44 H new ATOM 0 HG21 ILE A 43 -3.901 6.148 1.489 1.00 43.23 H new ATOM 0 HG22 ILE A 43 -4.889 6.801 0.161 1.00 43.23 H new ATOM 0 HG23 ILE A 43 -3.489 5.763 -0.199 1.00 43.23 H new ATOM 0 HD11 ILE A 43 0.123 6.179 0.540 1.00 72.24 H new ATOM 0 HD12 ILE A 43 -1.448 5.434 0.159 1.00 72.24 H new ATOM 0 HD13 ILE A 43 -0.768 6.675 -0.919 1.00 72.24 H new ATOM 722 N ASN A 44 -5.080 9.437 -1.050 1.00 4.14 N ATOM 723 CA ASN A 44 -6.449 9.677 -1.496 1.00 55.10 C ATOM 724 C ASN A 44 -6.477 10.037 -2.972 1.00 24.55 C ATOM 725 O ASN A 44 -7.378 9.621 -3.704 1.00 72.45 O ATOM 726 CB ASN A 44 -7.122 10.779 -0.665 1.00 74.13 C ATOM 727 CG ASN A 44 -7.519 10.311 0.729 1.00 32.55 C ATOM 728 OD1 ASN A 44 -8.617 9.789 0.933 1.00 60.34 O ATOM 729 ND2 ASN A 44 -6.639 10.500 1.695 1.00 11.25 N ATOM 0 H ASN A 44 -4.761 10.063 -0.310 1.00 4.14 H new ATOM 0 HA ASN A 44 -7.011 8.754 -1.350 1.00 55.10 H new ATOM 0 HB2 ASN A 44 -6.443 11.627 -0.578 1.00 74.13 H new ATOM 0 HB3 ASN A 44 -8.009 11.133 -1.190 1.00 74.13 H new ATOM 0 HD21 ASN A 44 -6.858 10.211 2.648 1.00 11.25 H new ATOM 0 HD22 ASN A 44 -5.740 10.935 1.488 1.00 11.25 H new ATOM 736 N GLY A 45 -5.470 10.793 -3.407 1.00 31.31 N ATOM 737 CA GLY A 45 -5.365 11.174 -4.801 1.00 44.32 C ATOM 738 C GLY A 45 -5.260 9.967 -5.706 1.00 62.04 C ATOM 739 O GLY A 45 -5.978 9.868 -6.707 1.00 53.14 O ATOM 0 H GLY A 45 -4.722 11.149 -2.812 1.00 31.31 H new ATOM 0 HA2 GLY A 45 -6.236 11.765 -5.083 1.00 44.32 H new ATOM 0 HA3 GLY A 45 -4.490 11.809 -4.939 1.00 44.32 H new ATOM 743 N TYR A 46 -4.376 9.034 -5.347 1.00 4.44 N ATOM 744 CA TYR A 46 -4.211 7.808 -6.116 1.00 23.21 C ATOM 745 C TYR A 46 -5.518 7.041 -6.162 1.00 3.43 C ATOM 746 O TYR A 46 -5.956 6.622 -7.227 1.00 53.24 O ATOM 747 CB TYR A 46 -3.105 6.920 -5.530 1.00 43.12 C ATOM 748 CG TYR A 46 -1.715 7.509 -5.635 1.00 23.10 C ATOM 749 CD1 TYR A 46 -1.260 8.060 -6.827 1.00 74.04 C ATOM 750 CD2 TYR A 46 -0.854 7.503 -4.546 1.00 53.51 C ATOM 751 CE1 TYR A 46 0.008 8.592 -6.928 1.00 11.12 C ATOM 752 CE2 TYR A 46 0.416 8.034 -4.641 1.00 3.31 C ATOM 753 CZ TYR A 46 0.842 8.577 -5.834 1.00 23.52 C ATOM 754 OH TYR A 46 2.106 9.115 -5.931 1.00 54.42 O ATOM 0 H TYR A 46 -3.768 9.107 -4.532 1.00 4.44 H new ATOM 0 HA TYR A 46 -3.918 8.087 -7.128 1.00 23.21 H new ATOM 0 HB2 TYR A 46 -3.327 6.727 -4.480 1.00 43.12 H new ATOM 0 HB3 TYR A 46 -3.119 5.957 -6.041 1.00 43.12 H new ATOM 0 HD1 TYR A 46 -1.911 8.072 -7.689 1.00 74.04 H new ATOM 0 HD2 TYR A 46 -1.183 7.076 -3.610 1.00 53.51 H new ATOM 0 HE1 TYR A 46 0.345 9.018 -7.861 1.00 11.12 H new ATOM 0 HE2 TYR A 46 1.073 8.024 -3.784 1.00 3.31 H new ATOM 0 HH TYR A 46 2.103 9.842 -6.588 1.00 54.42 H new ATOM 764 N ILE A 47 -6.147 6.886 -4.997 1.00 32.33 N ATOM 765 CA ILE A 47 -7.423 6.181 -4.890 1.00 72.14 C ATOM 766 C ILE A 47 -8.451 6.762 -5.865 1.00 74.24 C ATOM 767 O ILE A 47 -9.137 6.020 -6.575 1.00 73.22 O ATOM 768 CB ILE A 47 -7.989 6.244 -3.444 1.00 55.03 C ATOM 769 CG1 ILE A 47 -7.032 5.549 -2.466 1.00 71.23 C ATOM 770 CG2 ILE A 47 -9.378 5.612 -3.376 1.00 34.55 C ATOM 771 CD1 ILE A 47 -7.475 5.621 -1.018 1.00 23.34 C ATOM 0 H ILE A 47 -5.791 7.242 -4.110 1.00 32.33 H new ATOM 0 HA ILE A 47 -7.235 5.138 -5.145 1.00 72.14 H new ATOM 0 HB ILE A 47 -8.080 7.292 -3.157 1.00 55.03 H new ATOM 0 HG12 ILE A 47 -6.931 4.502 -2.753 1.00 71.23 H new ATOM 0 HG13 ILE A 47 -6.044 6.001 -2.557 1.00 71.23 H new ATOM 0 HG21 ILE A 47 -9.754 5.668 -2.354 1.00 34.55 H new ATOM 0 HG22 ILE A 47 -10.055 6.148 -4.041 1.00 34.55 H new ATOM 0 HG23 ILE A 47 -9.318 4.568 -3.684 1.00 34.55 H new ATOM 0 HD11 ILE A 47 -6.748 5.108 -0.389 1.00 23.34 H new ATOM 0 HD12 ILE A 47 -7.548 6.664 -0.711 1.00 23.34 H new ATOM 0 HD13 ILE A 47 -8.449 5.143 -0.911 1.00 23.34 H new ATOM 783 N GLN A 48 -8.533 8.089 -5.912 1.00 15.41 N ATOM 784 CA GLN A 48 -9.471 8.766 -6.807 1.00 41.43 C ATOM 785 C GLN A 48 -9.167 8.437 -8.264 1.00 12.02 C ATOM 786 O GLN A 48 -10.058 8.063 -9.023 1.00 42.51 O ATOM 787 CB GLN A 48 -9.438 10.286 -6.598 1.00 61.23 C ATOM 788 CG GLN A 48 -9.823 10.731 -5.197 1.00 20.04 C ATOM 789 CD GLN A 48 -11.162 10.179 -4.752 1.00 34.42 C ATOM 790 OE1 GLN A 48 -12.206 10.781 -4.992 1.00 1.41 O ATOM 791 NE2 GLN A 48 -11.138 9.041 -4.083 1.00 11.14 N ATOM 0 H GLN A 48 -7.964 8.716 -5.344 1.00 15.41 H new ATOM 0 HA GLN A 48 -10.471 8.405 -6.566 1.00 41.43 H new ATOM 0 HB2 GLN A 48 -8.435 10.650 -6.820 1.00 61.23 H new ATOM 0 HB3 GLN A 48 -10.113 10.755 -7.314 1.00 61.23 H new ATOM 0 HG2 GLN A 48 -9.052 10.412 -4.495 1.00 20.04 H new ATOM 0 HG3 GLN A 48 -9.855 11.820 -5.163 1.00 20.04 H new ATOM 0 HE21 GLN A 48 -10.249 8.573 -3.905 1.00 11.14 H new ATOM 0 HE22 GLN A 48 -12.008 8.630 -3.744 1.00 11.14 H new ATOM 800 N LYS A 49 -7.898 8.552 -8.639 1.00 62.34 N ATOM 801 CA LYS A 49 -7.472 8.285 -10.009 1.00 4.31 C ATOM 802 C LYS A 49 -7.706 6.826 -10.394 1.00 63.50 C ATOM 803 O LYS A 49 -8.145 6.531 -11.509 1.00 23.12 O ATOM 804 CB LYS A 49 -5.998 8.641 -10.187 1.00 60.04 C ATOM 805 CG LYS A 49 -5.693 10.117 -9.982 1.00 0.34 C ATOM 806 CD LYS A 49 -4.210 10.412 -10.128 1.00 33.43 C ATOM 807 CE LYS A 49 -3.701 10.033 -11.508 1.00 65.35 C ATOM 808 NZ LYS A 49 -2.268 10.345 -11.672 1.00 52.05 N ATOM 0 H LYS A 49 -7.143 8.829 -8.011 1.00 62.34 H new ATOM 0 HA LYS A 49 -8.074 8.909 -10.669 1.00 4.31 H new ATOM 0 HB2 LYS A 49 -5.405 8.056 -9.484 1.00 60.04 H new ATOM 0 HB3 LYS A 49 -5.682 8.350 -11.189 1.00 60.04 H new ATOM 0 HG2 LYS A 49 -6.254 10.708 -10.706 1.00 0.34 H new ATOM 0 HG3 LYS A 49 -6.029 10.423 -8.991 1.00 0.34 H new ATOM 0 HD2 LYS A 49 -4.030 11.472 -9.951 1.00 33.43 H new ATOM 0 HD3 LYS A 49 -3.652 9.863 -9.370 1.00 33.43 H new ATOM 0 HE2 LYS A 49 -3.862 8.968 -11.674 1.00 65.35 H new ATOM 0 HE3 LYS A 49 -4.277 10.564 -12.266 1.00 65.35 H new ATOM 0 HZ1 LYS A 49 -1.899 9.852 -12.510 1.00 52.05 H new ATOM 0 HZ2 LYS A 49 -2.148 11.371 -11.793 1.00 52.05 H new ATOM 0 HZ3 LYS A 49 -1.746 10.032 -10.829 1.00 52.05 H new ATOM 822 N ILE A 50 -7.413 5.924 -9.470 1.00 65.15 N ATOM 823 CA ILE A 50 -7.579 4.496 -9.703 1.00 24.34 C ATOM 824 C ILE A 50 -9.041 4.141 -9.943 1.00 42.25 C ATOM 825 O ILE A 50 -9.378 3.530 -10.959 1.00 22.40 O ATOM 826 CB ILE A 50 -7.032 3.661 -8.517 1.00 33.53 C ATOM 827 CG1 ILE A 50 -5.520 3.850 -8.393 1.00 71.14 C ATOM 828 CG2 ILE A 50 -7.372 2.183 -8.687 1.00 51.11 C ATOM 829 CD1 ILE A 50 -4.923 3.189 -7.174 1.00 42.32 C ATOM 0 H ILE A 50 -7.056 6.158 -8.544 1.00 65.15 H new ATOM 0 HA ILE A 50 -7.005 4.253 -10.597 1.00 24.34 H new ATOM 0 HB ILE A 50 -7.508 4.013 -7.602 1.00 33.53 H new ATOM 0 HG12 ILE A 50 -5.038 3.449 -9.285 1.00 71.14 H new ATOM 0 HG13 ILE A 50 -5.298 4.917 -8.363 1.00 71.14 H new ATOM 0 HG21 ILE A 50 -6.977 1.619 -7.842 1.00 51.11 H new ATOM 0 HG22 ILE A 50 -8.454 2.061 -8.730 1.00 51.11 H new ATOM 0 HG23 ILE A 50 -6.928 1.811 -9.610 1.00 51.11 H new ATOM 0 HD11 ILE A 50 -3.848 3.366 -7.154 1.00 42.32 H new ATOM 0 HD12 ILE A 50 -5.376 3.606 -6.275 1.00 42.32 H new ATOM 0 HD13 ILE A 50 -5.113 2.116 -7.212 1.00 42.32 H new ATOM 841 N LYS A 51 -9.909 4.554 -9.028 1.00 53.33 N ATOM 842 CA LYS A 51 -11.329 4.233 -9.132 1.00 21.21 C ATOM 843 C LYS A 51 -11.978 4.945 -10.314 1.00 24.33 C ATOM 844 O LYS A 51 -12.957 4.456 -10.881 1.00 52.10 O ATOM 845 CB LYS A 51 -12.068 4.561 -7.831 1.00 41.30 C ATOM 846 CG LYS A 51 -11.508 3.850 -6.595 1.00 72.34 C ATOM 847 CD LYS A 51 -11.344 2.344 -6.815 1.00 72.51 C ATOM 848 CE LYS A 51 -12.663 1.665 -7.158 1.00 62.25 C ATOM 849 NZ LYS A 51 -12.491 0.207 -7.377 1.00 53.33 N ATOM 0 H LYS A 51 -9.658 5.109 -8.210 1.00 53.33 H new ATOM 0 HA LYS A 51 -11.406 3.160 -9.305 1.00 21.21 H new ATOM 0 HB2 LYS A 51 -12.029 5.638 -7.666 1.00 41.30 H new ATOM 0 HB3 LYS A 51 -13.118 4.294 -7.946 1.00 41.30 H new ATOM 0 HG2 LYS A 51 -10.543 4.284 -6.335 1.00 72.34 H new ATOM 0 HG3 LYS A 51 -12.173 4.021 -5.748 1.00 72.34 H new ATOM 0 HD2 LYS A 51 -10.629 2.172 -7.620 1.00 72.51 H new ATOM 0 HD3 LYS A 51 -10.927 1.891 -5.916 1.00 72.51 H new ATOM 0 HE2 LYS A 51 -13.377 1.830 -6.351 1.00 62.25 H new ATOM 0 HE3 LYS A 51 -13.084 2.120 -8.054 1.00 62.25 H new ATOM 0 HZ1 LYS A 51 -13.411 -0.220 -7.608 1.00 53.33 H new ATOM 0 HZ2 LYS A 51 -11.829 0.050 -8.163 1.00 53.33 H new ATOM 0 HZ3 LYS A 51 -12.113 -0.232 -6.513 1.00 53.33 H new ATOM 863 N SER A 52 -11.433 6.095 -10.682 1.00 2.54 N ATOM 864 CA SER A 52 -11.927 6.845 -11.828 1.00 42.21 C ATOM 865 C SER A 52 -11.513 6.159 -13.133 1.00 71.03 C ATOM 866 O SER A 52 -12.073 6.427 -14.196 1.00 54.21 O ATOM 867 CB SER A 52 -11.395 8.287 -11.786 1.00 51.31 C ATOM 868 OG SER A 52 -11.801 9.034 -12.928 1.00 23.33 O ATOM 0 H SER A 52 -10.646 6.531 -10.202 1.00 2.54 H new ATOM 0 HA SER A 52 -13.016 6.874 -11.785 1.00 42.21 H new ATOM 0 HB2 SER A 52 -11.754 8.780 -10.883 1.00 51.31 H new ATOM 0 HB3 SER A 52 -10.307 8.271 -11.730 1.00 51.31 H new ATOM 0 HG SER A 52 -11.242 8.789 -13.695 1.00 23.33 H new ATOM 874 N GLY A 53 -10.533 5.272 -13.039 1.00 62.44 N ATOM 875 CA GLY A 53 -10.063 4.566 -14.206 1.00 4.55 C ATOM 876 C GLY A 53 -9.080 5.383 -15.013 1.00 3.40 C ATOM 877 O GLY A 53 -8.958 5.200 -16.225 1.00 35.24 O ATOM 0 H GLY A 53 -10.056 5.030 -12.171 1.00 62.44 H new ATOM 0 HA2 GLY A 53 -9.590 3.633 -13.898 1.00 4.55 H new ATOM 0 HA3 GLY A 53 -10.913 4.300 -14.834 1.00 4.55 H new ATOM 881 N GLU A 54 -8.380 6.291 -14.350 1.00 52.12 N ATOM 882 CA GLU A 54 -7.395 7.122 -15.023 1.00 63.44 C ATOM 883 C GLU A 54 -6.113 6.336 -15.213 1.00 45.12 C ATOM 884 O GLU A 54 -5.635 6.162 -16.333 1.00 13.23 O ATOM 885 CB GLU A 54 -7.119 8.397 -14.221 1.00 34.41 C ATOM 886 CG GLU A 54 -8.370 9.180 -13.854 1.00 3.11 C ATOM 887 CD GLU A 54 -9.259 9.460 -15.046 1.00 21.34 C ATOM 888 OE1 GLU A 54 -8.926 10.359 -15.847 1.00 61.23 O ATOM 889 OE2 GLU A 54 -10.296 8.784 -15.189 1.00 74.40 O ATOM 0 H GLU A 54 -8.475 6.470 -13.350 1.00 52.12 H new ATOM 0 HA GLU A 54 -7.789 7.413 -15.997 1.00 63.44 H new ATOM 0 HB2 GLU A 54 -6.588 8.131 -13.307 1.00 34.41 H new ATOM 0 HB3 GLU A 54 -6.456 9.041 -14.799 1.00 34.41 H new ATOM 0 HG2 GLU A 54 -8.936 8.622 -13.108 1.00 3.11 H new ATOM 0 HG3 GLU A 54 -8.080 10.124 -13.394 1.00 3.11 H new ATOM 896 N GLU A 55 -5.572 5.850 -14.112 1.00 54.34 N ATOM 897 CA GLU A 55 -4.374 5.038 -14.135 1.00 45.54 C ATOM 898 C GLU A 55 -4.581 3.811 -13.275 1.00 23.53 C ATOM 899 O GLU A 55 -5.399 3.829 -12.348 1.00 34.41 O ATOM 900 CB GLU A 55 -3.153 5.831 -13.660 1.00 51.22 C ATOM 901 CG GLU A 55 -2.766 6.968 -14.590 1.00 40.23 C ATOM 902 CD GLU A 55 -1.458 7.615 -14.206 1.00 25.23 C ATOM 903 OE1 GLU A 55 -0.394 7.054 -14.542 1.00 43.24 O ATOM 904 OE2 GLU A 55 -1.484 8.688 -13.572 1.00 73.04 O ATOM 0 H GLU A 55 -5.951 6.008 -13.178 1.00 54.34 H new ATOM 0 HA GLU A 55 -4.182 4.730 -15.163 1.00 45.54 H new ATOM 0 HB2 GLU A 55 -3.357 6.237 -12.669 1.00 51.22 H new ATOM 0 HB3 GLU A 55 -2.306 5.152 -13.558 1.00 51.22 H new ATOM 0 HG2 GLU A 55 -2.694 6.589 -15.610 1.00 40.23 H new ATOM 0 HG3 GLU A 55 -3.554 7.721 -14.585 1.00 40.23 H new ATOM 911 N ASP A 56 -3.865 2.751 -13.578 1.00 30.33 N ATOM 912 CA ASP A 56 -4.023 1.504 -12.852 1.00 51.24 C ATOM 913 C ASP A 56 -3.171 1.484 -11.593 1.00 20.54 C ATOM 914 O ASP A 56 -2.121 2.134 -11.529 1.00 1.24 O ATOM 915 CB ASP A 56 -3.668 0.315 -13.743 1.00 52.23 C ATOM 916 CG ASP A 56 -4.092 -1.003 -13.134 1.00 62.34 C ATOM 917 OD1 ASP A 56 -5.267 -1.385 -13.302 1.00 34.12 O ATOM 918 OD2 ASP A 56 -3.263 -1.659 -12.479 1.00 1.41 O ATOM 0 H ASP A 56 -3.167 2.724 -14.321 1.00 30.33 H new ATOM 0 HA ASP A 56 -5.069 1.426 -12.556 1.00 51.24 H new ATOM 0 HB2 ASP A 56 -4.148 0.435 -14.714 1.00 52.23 H new ATOM 0 HB3 ASP A 56 -2.592 0.303 -13.918 1.00 52.23 H new ATOM 923 N PHE A 57 -3.633 0.735 -10.595 1.00 14.04 N ATOM 924 CA PHE A 57 -2.928 0.589 -9.328 1.00 71.35 C ATOM 925 C PHE A 57 -1.503 0.097 -9.553 1.00 2.22 C ATOM 926 O PHE A 57 -0.564 0.617 -8.961 1.00 3.21 O ATOM 927 CB PHE A 57 -3.687 -0.388 -8.418 1.00 60.13 C ATOM 928 CG PHE A 57 -3.037 -0.622 -7.077 1.00 72.31 C ATOM 929 CD1 PHE A 57 -3.295 0.219 -6.010 1.00 12.13 C ATOM 930 CD2 PHE A 57 -2.173 -1.689 -6.885 1.00 64.14 C ATOM 931 CE1 PHE A 57 -2.709 0.004 -4.782 1.00 21.24 C ATOM 932 CE2 PHE A 57 -1.583 -1.906 -5.657 1.00 44.02 C ATOM 933 CZ PHE A 57 -1.852 -1.059 -4.606 1.00 61.32 C ATOM 0 H PHE A 57 -4.508 0.212 -10.644 1.00 14.04 H new ATOM 0 HA PHE A 57 -2.879 1.565 -8.845 1.00 71.35 H new ATOM 0 HB2 PHE A 57 -4.696 -0.008 -8.258 1.00 60.13 H new ATOM 0 HB3 PHE A 57 -3.785 -1.344 -8.933 1.00 60.13 H new ATOM 0 HD1 PHE A 57 -3.965 1.056 -6.141 1.00 12.13 H new ATOM 0 HD2 PHE A 57 -1.959 -2.358 -7.706 1.00 64.14 H new ATOM 0 HE1 PHE A 57 -2.922 0.669 -3.958 1.00 21.24 H new ATOM 0 HE2 PHE A 57 -0.910 -2.740 -5.520 1.00 44.02 H new ATOM 0 HZ PHE A 57 -1.391 -1.228 -3.644 1.00 61.32 H new ATOM 943 N GLU A 58 -1.353 -0.887 -10.434 1.00 20.44 N ATOM 944 CA GLU A 58 -0.047 -1.468 -10.741 1.00 41.52 C ATOM 945 C GLU A 58 0.910 -0.409 -11.268 1.00 71.21 C ATOM 946 O GLU A 58 2.076 -0.359 -10.879 1.00 33.52 O ATOM 947 CB GLU A 58 -0.201 -2.578 -11.774 1.00 5.10 C ATOM 948 CG GLU A 58 -1.012 -3.763 -11.288 1.00 43.25 C ATOM 949 CD GLU A 58 -0.269 -4.598 -10.278 1.00 24.22 C ATOM 950 OE1 GLU A 58 0.631 -5.360 -10.692 1.00 65.32 O ATOM 951 OE2 GLU A 58 -0.593 -4.518 -9.079 1.00 44.21 O ATOM 0 H GLU A 58 -2.126 -1.303 -10.953 1.00 20.44 H new ATOM 0 HA GLU A 58 0.366 -1.881 -9.821 1.00 41.52 H new ATOM 0 HB2 GLU A 58 -0.675 -2.168 -12.666 1.00 5.10 H new ATOM 0 HB3 GLU A 58 0.789 -2.925 -12.070 1.00 5.10 H new ATOM 0 HG2 GLU A 58 -1.941 -3.405 -10.845 1.00 43.25 H new ATOM 0 HG3 GLU A 58 -1.284 -4.386 -12.140 1.00 43.25 H new ATOM 958 N SER A 59 0.405 0.443 -12.146 1.00 3.42 N ATOM 959 CA SER A 59 1.206 1.499 -12.733 1.00 73.33 C ATOM 960 C SER A 59 1.668 2.484 -11.660 1.00 44.43 C ATOM 961 O SER A 59 2.837 2.884 -11.624 1.00 33.02 O ATOM 962 CB SER A 59 0.397 2.226 -13.805 1.00 33.02 C ATOM 963 OG SER A 59 -0.103 1.312 -14.769 1.00 11.14 O ATOM 0 H SER A 59 -0.563 0.421 -12.468 1.00 3.42 H new ATOM 0 HA SER A 59 2.089 1.055 -13.192 1.00 73.33 H new ATOM 0 HB2 SER A 59 -0.432 2.761 -13.341 1.00 33.02 H new ATOM 0 HB3 SER A 59 1.023 2.972 -14.295 1.00 33.02 H new ATOM 0 HG SER A 59 -0.619 1.799 -15.445 1.00 11.14 H new ATOM 969 N LEU A 60 0.755 2.844 -10.774 1.00 42.45 N ATOM 970 CA LEU A 60 1.054 3.791 -9.718 1.00 33.32 C ATOM 971 C LEU A 60 1.966 3.172 -8.664 1.00 22.31 C ATOM 972 O LEU A 60 2.910 3.803 -8.207 1.00 73.12 O ATOM 973 CB LEU A 60 -0.238 4.301 -9.075 1.00 62.14 C ATOM 974 CG LEU A 60 -1.199 5.037 -10.016 1.00 32.31 C ATOM 975 CD1 LEU A 60 -2.456 5.454 -9.277 1.00 74.32 C ATOM 976 CD2 LEU A 60 -0.520 6.249 -10.637 1.00 72.14 C ATOM 0 H LEU A 60 -0.202 2.492 -10.767 1.00 42.45 H new ATOM 0 HA LEU A 60 1.580 4.635 -10.163 1.00 33.32 H new ATOM 0 HB2 LEU A 60 -0.765 3.453 -8.637 1.00 62.14 H new ATOM 0 HB3 LEU A 60 0.024 4.971 -8.256 1.00 62.14 H new ATOM 0 HG LEU A 60 -1.481 4.354 -10.817 1.00 32.31 H new ATOM 0 HD11 LEU A 60 -3.125 5.975 -9.962 1.00 74.32 H new ATOM 0 HD12 LEU A 60 -2.957 4.570 -8.883 1.00 74.32 H new ATOM 0 HD13 LEU A 60 -2.191 6.118 -8.454 1.00 74.32 H new ATOM 0 HD21 LEU A 60 -1.219 6.757 -11.301 1.00 72.14 H new ATOM 0 HD22 LEU A 60 -0.206 6.933 -9.849 1.00 72.14 H new ATOM 0 HD23 LEU A 60 0.352 5.926 -11.206 1.00 72.14 H new ATOM 988 N ALA A 61 1.699 1.930 -8.306 1.00 65.25 N ATOM 989 CA ALA A 61 2.486 1.241 -7.291 1.00 53.40 C ATOM 990 C ALA A 61 3.898 0.943 -7.780 1.00 72.11 C ATOM 991 O ALA A 61 4.814 0.788 -6.984 1.00 4.15 O ATOM 992 CB ALA A 61 1.794 -0.044 -6.861 1.00 63.52 C ATOM 0 H ALA A 61 0.942 1.373 -8.702 1.00 65.25 H new ATOM 0 HA ALA A 61 2.566 1.905 -6.431 1.00 53.40 H new ATOM 0 HB1 ALA A 61 2.396 -0.545 -6.103 1.00 63.52 H new ATOM 0 HB2 ALA A 61 0.813 0.192 -6.448 1.00 63.52 H new ATOM 0 HB3 ALA A 61 1.677 -0.700 -7.723 1.00 63.52 H new ATOM 998 N SER A 62 4.072 0.879 -9.085 1.00 42.35 N ATOM 999 CA SER A 62 5.366 0.564 -9.656 1.00 2.12 C ATOM 1000 C SER A 62 6.274 1.796 -9.747 1.00 64.30 C ATOM 1001 O SER A 62 7.497 1.681 -9.639 1.00 70.10 O ATOM 1002 CB SER A 62 5.201 -0.058 -11.047 1.00 65.43 C ATOM 1003 OG SER A 62 6.420 -0.634 -11.496 1.00 21.11 O ATOM 0 H SER A 62 3.334 1.041 -9.770 1.00 42.35 H new ATOM 0 HA SER A 62 5.842 -0.153 -8.988 1.00 2.12 H new ATOM 0 HB2 SER A 62 4.423 -0.821 -11.018 1.00 65.43 H new ATOM 0 HB3 SER A 62 4.873 0.705 -11.754 1.00 65.43 H new ATOM 0 HG SER A 62 6.953 -0.915 -10.723 1.00 21.11 H new ATOM 1009 N GLN A 63 5.688 2.966 -9.944 1.00 15.51 N ATOM 1010 CA GLN A 63 6.491 4.167 -10.148 1.00 60.32 C ATOM 1011 C GLN A 63 6.346 5.196 -9.031 1.00 64.52 C ATOM 1012 O GLN A 63 7.235 6.021 -8.833 1.00 72.01 O ATOM 1013 CB GLN A 63 6.152 4.807 -11.494 1.00 14.33 C ATOM 1014 CG GLN A 63 6.499 3.934 -12.690 1.00 12.55 C ATOM 1015 CD GLN A 63 6.212 4.605 -14.019 1.00 60.41 C ATOM 1016 OE1 GLN A 63 6.911 4.369 -15.007 1.00 71.54 O ATOM 1017 NE2 GLN A 63 5.180 5.423 -14.064 1.00 73.42 N ATOM 0 H GLN A 63 4.679 3.112 -9.967 1.00 15.51 H new ATOM 0 HA GLN A 63 7.532 3.843 -10.138 1.00 60.32 H new ATOM 0 HB2 GLN A 63 5.087 5.036 -11.519 1.00 14.33 H new ATOM 0 HB3 GLN A 63 6.684 5.754 -11.580 1.00 14.33 H new ATOM 0 HG2 GLN A 63 7.555 3.669 -12.644 1.00 12.55 H new ATOM 0 HG3 GLN A 63 5.934 3.004 -12.630 1.00 12.55 H new ATOM 0 HE21 GLN A 63 4.626 5.592 -13.224 1.00 73.42 H new ATOM 0 HE22 GLN A 63 4.935 5.887 -14.939 1.00 73.42 H new ATOM 1026 N PHE A 64 5.246 5.150 -8.303 1.00 12.54 N ATOM 1027 CA PHE A 64 4.978 6.159 -7.282 1.00 3.14 C ATOM 1028 C PHE A 64 4.942 5.576 -5.873 1.00 32.44 C ATOM 1029 O PHE A 64 4.320 6.145 -4.973 1.00 40.15 O ATOM 1030 CB PHE A 64 3.668 6.882 -7.592 1.00 32.23 C ATOM 1031 CG PHE A 64 3.726 7.713 -8.841 1.00 3.21 C ATOM 1032 CD1 PHE A 64 4.189 9.017 -8.796 1.00 63.33 C ATOM 1033 CD2 PHE A 64 3.328 7.190 -10.058 1.00 20.31 C ATOM 1034 CE1 PHE A 64 4.252 9.784 -9.941 1.00 65.10 C ATOM 1035 CE2 PHE A 64 3.388 7.952 -11.206 1.00 53.52 C ATOM 1036 CZ PHE A 64 3.851 9.250 -11.148 1.00 2.22 C ATOM 0 H PHE A 64 4.526 4.433 -8.394 1.00 12.54 H new ATOM 0 HA PHE A 64 5.804 6.870 -7.308 1.00 3.14 H new ATOM 0 HB2 PHE A 64 2.870 6.146 -7.691 1.00 32.23 H new ATOM 0 HB3 PHE A 64 3.407 7.523 -6.750 1.00 32.23 H new ATOM 0 HD1 PHE A 64 4.505 9.439 -7.853 1.00 63.33 H new ATOM 0 HD2 PHE A 64 2.966 6.174 -10.110 1.00 20.31 H new ATOM 0 HE1 PHE A 64 4.614 10.800 -9.892 1.00 65.10 H new ATOM 0 HE2 PHE A 64 3.073 7.533 -12.150 1.00 53.52 H new ATOM 0 HZ PHE A 64 3.900 9.847 -12.046 1.00 2.22 H new ATOM 1046 N SER A 65 5.612 4.467 -5.671 1.00 54.13 N ATOM 1047 CA SER A 65 5.675 3.877 -4.356 1.00 15.13 C ATOM 1048 C SER A 65 7.111 3.845 -3.863 1.00 33.35 C ATOM 1049 O SER A 65 8.037 3.563 -4.628 1.00 42.34 O ATOM 1050 CB SER A 65 5.073 2.473 -4.347 1.00 2.21 C ATOM 1051 OG SER A 65 4.994 1.969 -3.021 1.00 72.35 O ATOM 0 H SER A 65 6.118 3.958 -6.395 1.00 54.13 H new ATOM 0 HA SER A 65 5.084 4.495 -3.680 1.00 15.13 H new ATOM 0 HB2 SER A 65 4.079 2.495 -4.793 1.00 2.21 H new ATOM 0 HB3 SER A 65 5.682 1.807 -4.959 1.00 2.21 H new ATOM 0 HG SER A 65 5.015 2.715 -2.386 1.00 72.35 H new ATOM 1057 N ASP A 66 7.294 4.130 -2.583 1.00 14.32 N ATOM 1058 CA ASP A 66 8.623 4.167 -1.987 1.00 24.24 C ATOM 1059 C ASP A 66 9.051 2.773 -1.538 1.00 12.44 C ATOM 1060 O ASP A 66 10.121 2.596 -0.956 1.00 21.42 O ATOM 1061 CB ASP A 66 8.658 5.120 -0.784 1.00 43.11 C ATOM 1062 CG ASP A 66 7.923 6.427 -1.017 1.00 43.30 C ATOM 1063 OD1 ASP A 66 8.307 7.200 -1.924 1.00 22.34 O ATOM 1064 OD2 ASP A 66 6.958 6.691 -0.279 1.00 30.21 O ATOM 0 H ASP A 66 6.536 4.340 -1.933 1.00 14.32 H new ATOM 0 HA ASP A 66 9.315 4.529 -2.747 1.00 24.24 H new ATOM 0 HB2 ASP A 66 8.221 4.617 0.079 1.00 43.11 H new ATOM 0 HB3 ASP A 66 9.697 5.337 -0.534 1.00 43.11 H new ATOM 1069 N CYS A 67 8.212 1.787 -1.809 1.00 3.12 N ATOM 1070 CA CYS A 67 8.492 0.413 -1.421 1.00 44.24 C ATOM 1071 C CYS A 67 9.330 -0.284 -2.482 1.00 73.01 C ATOM 1072 O CYS A 67 9.259 0.057 -3.661 1.00 65.44 O ATOM 1073 CB CYS A 67 7.180 -0.348 -1.204 1.00 45.10 C ATOM 1074 SG CYS A 67 7.372 -2.073 -0.694 1.00 50.33 S ATOM 0 H CYS A 67 7.326 1.913 -2.299 1.00 3.12 H new ATOM 0 HA CYS A 67 9.056 0.425 -0.489 1.00 44.24 H new ATOM 0 HB2 CYS A 67 6.595 0.176 -0.448 1.00 45.10 H new ATOM 0 HB3 CYS A 67 6.604 -0.320 -2.129 1.00 45.10 H new ATOM 0 HG CYS A 67 6.631 -2.302 0.349 1.00 50.33 H new ATOM 1080 N SER A 68 10.118 -1.263 -2.059 1.00 21.25 N ATOM 1081 CA SER A 68 10.957 -2.027 -2.968 1.00 34.31 C ATOM 1082 C SER A 68 10.097 -2.805 -3.964 1.00 42.45 C ATOM 1083 O SER A 68 10.523 -3.079 -5.088 1.00 31.23 O ATOM 1084 CB SER A 68 11.851 -2.992 -2.178 1.00 1.53 C ATOM 1085 OG SER A 68 12.756 -3.677 -3.034 1.00 14.52 O ATOM 0 H SER A 68 10.193 -1.548 -1.082 1.00 21.25 H new ATOM 0 HA SER A 68 11.589 -1.333 -3.522 1.00 34.31 H new ATOM 0 HB2 SER A 68 12.410 -2.438 -1.423 1.00 1.53 H new ATOM 0 HB3 SER A 68 11.230 -3.715 -1.648 1.00 1.53 H new ATOM 0 HG SER A 68 13.313 -4.283 -2.503 1.00 14.52 H new ATOM 1091 N SER A 69 8.876 -3.136 -3.552 1.00 25.45 N ATOM 1092 CA SER A 69 7.956 -3.885 -4.391 1.00 4.31 C ATOM 1093 C SER A 69 7.552 -3.089 -5.629 1.00 15.41 C ATOM 1094 O SER A 69 7.012 -3.647 -6.574 1.00 40.41 O ATOM 1095 CB SER A 69 6.717 -4.264 -3.602 1.00 44.51 C ATOM 1096 OG SER A 69 7.063 -4.877 -2.372 1.00 73.15 O ATOM 0 H SER A 69 8.502 -2.893 -2.634 1.00 25.45 H new ATOM 0 HA SER A 69 8.470 -4.788 -4.720 1.00 4.31 H new ATOM 0 HB2 SER A 69 6.117 -3.374 -3.412 1.00 44.51 H new ATOM 0 HB3 SER A 69 6.101 -4.944 -4.190 1.00 44.51 H new ATOM 0 HG SER A 69 6.409 -4.627 -1.686 1.00 73.15 H new ATOM 1102 N ALA A 70 7.824 -1.783 -5.618 1.00 0.13 N ATOM 1103 CA ALA A 70 7.507 -0.921 -6.754 1.00 50.03 C ATOM 1104 C ALA A 70 8.216 -1.416 -8.005 1.00 3.41 C ATOM 1105 O ALA A 70 7.714 -1.283 -9.123 1.00 2.24 O ATOM 1106 CB ALA A 70 7.908 0.513 -6.455 1.00 34.00 C ATOM 0 H ALA A 70 8.263 -1.300 -4.834 1.00 0.13 H new ATOM 0 HA ALA A 70 6.431 -0.954 -6.927 1.00 50.03 H new ATOM 0 HB1 ALA A 70 7.666 1.144 -7.310 1.00 34.00 H new ATOM 0 HB2 ALA A 70 7.366 0.867 -5.578 1.00 34.00 H new ATOM 0 HB3 ALA A 70 8.980 0.558 -6.262 1.00 34.00 H new ATOM 1112 N LYS A 71 9.371 -2.025 -7.799 1.00 74.23 N ATOM 1113 CA LYS A 71 10.165 -2.566 -8.886 1.00 41.01 C ATOM 1114 C LYS A 71 9.521 -3.839 -9.449 1.00 21.12 C ATOM 1115 O LYS A 71 9.954 -4.373 -10.469 1.00 31.13 O ATOM 1116 CB LYS A 71 11.581 -2.854 -8.393 1.00 43.20 C ATOM 1117 CG LYS A 71 12.291 -1.628 -7.843 1.00 34.21 C ATOM 1118 CD LYS A 71 13.656 -1.979 -7.283 1.00 4.14 C ATOM 1119 CE LYS A 71 14.383 -0.739 -6.791 1.00 11.43 C ATOM 1120 NZ LYS A 71 15.692 -1.069 -6.180 1.00 41.24 N ATOM 0 H LYS A 71 9.783 -2.158 -6.875 1.00 74.23 H new ATOM 0 HA LYS A 71 10.210 -1.830 -9.689 1.00 41.01 H new ATOM 0 HB2 LYS A 71 11.539 -3.619 -7.617 1.00 43.20 H new ATOM 0 HB3 LYS A 71 12.167 -3.266 -9.215 1.00 43.20 H new ATOM 0 HG2 LYS A 71 12.401 -0.885 -8.633 1.00 34.21 H new ATOM 0 HG3 LYS A 71 11.682 -1.174 -7.061 1.00 34.21 H new ATOM 0 HD2 LYS A 71 13.544 -2.688 -6.463 1.00 4.14 H new ATOM 0 HD3 LYS A 71 14.251 -2.472 -8.051 1.00 4.14 H new ATOM 0 HE2 LYS A 71 14.535 -0.053 -7.624 1.00 11.43 H new ATOM 0 HE3 LYS A 71 13.762 -0.221 -6.060 1.00 11.43 H new ATOM 0 HZ1 LYS A 71 16.155 -0.195 -5.858 1.00 41.24 H new ATOM 0 HZ2 LYS A 71 15.546 -1.703 -5.369 1.00 41.24 H new ATOM 0 HZ3 LYS A 71 16.295 -1.541 -6.884 1.00 41.24 H new ATOM 1134 N ALA A 72 8.483 -4.310 -8.777 1.00 2.23 N ATOM 1135 CA ALA A 72 7.755 -5.497 -9.195 1.00 61.44 C ATOM 1136 C ALA A 72 6.259 -5.194 -9.299 1.00 33.42 C ATOM 1137 O ALA A 72 5.422 -6.091 -9.179 1.00 3.53 O ATOM 1138 CB ALA A 72 8.002 -6.631 -8.213 1.00 73.32 C ATOM 0 H ALA A 72 8.121 -3.880 -7.926 1.00 2.23 H new ATOM 0 HA ALA A 72 8.113 -5.802 -10.178 1.00 61.44 H new ATOM 0 HB1 ALA A 72 7.453 -7.516 -8.534 1.00 73.32 H new ATOM 0 HB2 ALA A 72 9.068 -6.857 -8.179 1.00 73.32 H new ATOM 0 HB3 ALA A 72 7.663 -6.333 -7.221 1.00 73.32 H new ATOM 1144 N ARG A 73 5.939 -3.906 -9.507 1.00 25.31 N ATOM 1145 CA ARG A 73 4.544 -3.431 -9.666 1.00 44.23 C ATOM 1146 C ARG A 73 3.743 -3.481 -8.368 1.00 11.34 C ATOM 1147 O ARG A 73 2.555 -3.192 -8.361 1.00 1.03 O ATOM 1148 CB ARG A 73 3.817 -4.202 -10.770 1.00 14.54 C ATOM 1149 CG ARG A 73 4.122 -3.709 -12.170 1.00 72.43 C ATOM 1150 CD ARG A 73 3.582 -4.662 -13.221 1.00 14.35 C ATOM 1151 NE ARG A 73 2.198 -5.062 -12.956 1.00 53.22 N ATOM 1152 CZ ARG A 73 1.375 -5.578 -13.868 1.00 61.30 C ATOM 1153 NH1 ARG A 73 1.771 -5.718 -15.130 1.00 50.21 N ATOM 1154 NH2 ARG A 73 0.159 -5.958 -13.510 1.00 72.24 N ATOM 0 H ARG A 73 6.634 -3.162 -9.570 1.00 25.31 H new ATOM 0 HA ARG A 73 4.616 -2.383 -9.955 1.00 44.23 H new ATOM 0 HB2 ARG A 73 4.086 -5.256 -10.700 1.00 14.54 H new ATOM 0 HB3 ARG A 73 2.743 -4.135 -10.598 1.00 14.54 H new ATOM 0 HG2 ARG A 73 3.685 -2.721 -12.313 1.00 72.43 H new ATOM 0 HG3 ARG A 73 5.200 -3.601 -12.293 1.00 72.43 H new ATOM 0 HD2 ARG A 73 3.639 -4.188 -14.201 1.00 14.35 H new ATOM 0 HD3 ARG A 73 4.213 -5.550 -13.260 1.00 14.35 H new ATOM 0 HE ARG A 73 1.840 -4.937 -12.009 1.00 53.22 H new ATOM 0 HH11 ARG A 73 2.710 -5.430 -15.405 1.00 50.21 H new ATOM 0 HH12 ARG A 73 1.136 -6.114 -15.823 1.00 50.21 H new ATOM 0 HH21 ARG A 73 -0.143 -5.855 -12.541 1.00 72.24 H new ATOM 0 HH22 ARG A 73 -0.476 -6.354 -14.203 1.00 72.24 H new ATOM 1168 N GLY A 74 4.397 -3.826 -7.281 1.00 4.25 N ATOM 1169 CA GLY A 74 3.716 -3.895 -6.009 1.00 34.44 C ATOM 1170 C GLY A 74 3.279 -5.301 -5.670 1.00 31.14 C ATOM 1171 O GLY A 74 2.840 -5.567 -4.547 1.00 21.32 O ATOM 0 H GLY A 74 5.389 -4.061 -7.252 1.00 4.25 H new ATOM 0 HA2 GLY A 74 4.376 -3.523 -5.225 1.00 34.44 H new ATOM 0 HA3 GLY A 74 2.844 -3.241 -6.030 1.00 34.44 H new ATOM 1175 N ASP A 75 3.404 -6.202 -6.634 1.00 72.14 N ATOM 1176 CA ASP A 75 3.014 -7.593 -6.439 1.00 34.31 C ATOM 1177 C ASP A 75 3.918 -8.285 -5.436 1.00 51.24 C ATOM 1178 O ASP A 75 5.144 -8.136 -5.471 1.00 43.23 O ATOM 1179 CB ASP A 75 3.019 -8.360 -7.765 1.00 31.21 C ATOM 1180 CG ASP A 75 2.827 -9.859 -7.574 1.00 51.40 C ATOM 1181 OD1 ASP A 75 1.813 -10.267 -6.961 1.00 61.12 O ATOM 1182 OD2 ASP A 75 3.693 -10.638 -8.028 1.00 62.14 O ATOM 0 H ASP A 75 3.773 -5.995 -7.562 1.00 72.14 H new ATOM 0 HA ASP A 75 1.999 -7.590 -6.043 1.00 34.31 H new ATOM 0 HB2 ASP A 75 2.227 -7.975 -8.407 1.00 31.21 H new ATOM 0 HB3 ASP A 75 3.962 -8.181 -8.281 1.00 31.21 H new ATOM 1187 N LEU A 76 3.308 -9.022 -4.536 1.00 1.31 N ATOM 1188 CA LEU A 76 4.038 -9.762 -3.528 1.00 44.14 C ATOM 1189 C LEU A 76 3.885 -11.254 -3.748 1.00 23.43 C ATOM 1190 O LEU A 76 4.578 -12.059 -3.121 1.00 62.41 O ATOM 1191 CB LEU A 76 3.528 -9.396 -2.134 1.00 64.45 C ATOM 1192 CG LEU A 76 3.746 -7.949 -1.706 1.00 1.02 C ATOM 1193 CD1 LEU A 76 3.032 -7.672 -0.395 1.00 50.23 C ATOM 1194 CD2 LEU A 76 5.232 -7.655 -1.575 1.00 52.12 C ATOM 0 H LEU A 76 2.295 -9.126 -4.481 1.00 1.31 H new ATOM 0 HA LEU A 76 5.093 -9.499 -3.607 1.00 44.14 H new ATOM 0 HB2 LEU A 76 2.460 -9.611 -2.090 1.00 64.45 H new ATOM 0 HB3 LEU A 76 4.014 -10.047 -1.407 1.00 64.45 H new ATOM 0 HG LEU A 76 3.330 -7.293 -2.471 1.00 1.02 H new ATOM 0 HD11 LEU A 76 3.197 -6.635 -0.103 1.00 50.23 H new ATOM 0 HD12 LEU A 76 1.963 -7.848 -0.518 1.00 50.23 H new ATOM 0 HD13 LEU A 76 3.422 -8.333 0.379 1.00 50.23 H new ATOM 0 HD21 LEU A 76 5.372 -6.618 -1.269 1.00 52.12 H new ATOM 0 HD22 LEU A 76 5.669 -8.317 -0.827 1.00 52.12 H new ATOM 0 HD23 LEU A 76 5.721 -7.819 -2.535 1.00 52.12 H new ATOM 1206 N GLY A 77 2.999 -11.620 -4.660 1.00 12.55 N ATOM 1207 CA GLY A 77 2.713 -13.013 -4.880 1.00 25.43 C ATOM 1208 C GLY A 77 1.860 -13.563 -3.761 1.00 44.33 C ATOM 1209 O GLY A 77 1.177 -12.801 -3.067 1.00 12.02 O ATOM 0 H GLY A 77 2.475 -10.974 -5.250 1.00 12.55 H new ATOM 0 HA2 GLY A 77 2.198 -13.138 -5.833 1.00 25.43 H new ATOM 0 HA3 GLY A 77 3.644 -13.575 -4.945 1.00 25.43 H new ATOM 1213 N ALA A 78 1.881 -14.863 -3.580 1.00 33.53 N ATOM 1214 CA ALA A 78 1.135 -15.480 -2.507 1.00 41.21 C ATOM 1215 C ALA A 78 1.929 -15.383 -1.217 1.00 10.41 C ATOM 1216 O ALA A 78 2.970 -16.021 -1.072 1.00 4.32 O ATOM 1217 CB ALA A 78 0.822 -16.931 -2.839 1.00 34.32 C ATOM 0 H ALA A 78 2.407 -15.515 -4.162 1.00 33.53 H new ATOM 0 HA ALA A 78 0.189 -14.954 -2.381 1.00 41.21 H new ATOM 0 HB1 ALA A 78 0.260 -17.379 -2.019 1.00 34.32 H new ATOM 0 HB2 ALA A 78 0.229 -16.975 -3.752 1.00 34.32 H new ATOM 0 HB3 ALA A 78 1.752 -17.480 -2.983 1.00 34.32 H new ATOM 1223 N PHE A 79 1.452 -14.575 -0.296 1.00 24.35 N ATOM 1224 CA PHE A 79 2.145 -14.370 0.964 1.00 42.53 C ATOM 1225 C PHE A 79 1.379 -14.978 2.126 1.00 31.50 C ATOM 1226 O PHE A 79 0.159 -15.142 2.061 1.00 35.32 O ATOM 1227 CB PHE A 79 2.401 -12.873 1.211 1.00 12.30 C ATOM 1228 CG PHE A 79 1.162 -12.011 1.159 1.00 60.32 C ATOM 1229 CD1 PHE A 79 0.376 -11.826 2.289 1.00 2.03 C ATOM 1230 CD2 PHE A 79 0.791 -11.382 -0.017 1.00 73.13 C ATOM 1231 CE1 PHE A 79 -0.754 -11.032 2.241 1.00 2.01 C ATOM 1232 CE2 PHE A 79 -0.337 -10.589 -0.070 1.00 73.30 C ATOM 1233 CZ PHE A 79 -1.111 -10.414 1.060 1.00 45.52 C ATOM 0 H PHE A 79 0.585 -14.046 -0.393 1.00 24.35 H new ATOM 0 HA PHE A 79 3.106 -14.879 0.895 1.00 42.53 H new ATOM 0 HB2 PHE A 79 2.871 -12.754 2.187 1.00 12.30 H new ATOM 0 HB3 PHE A 79 3.112 -12.511 0.468 1.00 12.30 H new ATOM 0 HD1 PHE A 79 0.651 -12.308 3.216 1.00 2.03 H new ATOM 0 HD2 PHE A 79 1.392 -11.514 -0.904 1.00 73.13 H new ATOM 0 HE1 PHE A 79 -1.357 -10.895 3.127 1.00 2.01 H new ATOM 0 HE2 PHE A 79 -0.614 -10.105 -0.995 1.00 73.30 H new ATOM 0 HZ PHE A 79 -1.995 -9.794 1.020 1.00 45.52 H new ATOM 1243 N SER A 80 2.104 -15.315 3.180 1.00 32.41 N ATOM 1244 CA SER A 80 1.516 -15.890 4.374 1.00 13.03 C ATOM 1245 C SER A 80 1.247 -14.796 5.407 1.00 2.44 C ATOM 1246 O SER A 80 1.803 -13.702 5.313 1.00 64.42 O ATOM 1247 CB SER A 80 2.461 -16.940 4.956 1.00 22.15 C ATOM 1248 OG SER A 80 2.875 -17.860 3.957 1.00 5.33 O ATOM 0 H SER A 80 3.116 -15.197 3.230 1.00 32.41 H new ATOM 0 HA SER A 80 0.570 -16.364 4.114 1.00 13.03 H new ATOM 0 HB2 SER A 80 3.333 -16.450 5.388 1.00 22.15 H new ATOM 0 HB3 SER A 80 1.963 -17.475 5.764 1.00 22.15 H new ATOM 0 HG SER A 80 3.480 -18.522 4.352 1.00 5.33 H new ATOM 1254 N ARG A 81 0.412 -15.102 6.396 1.00 65.21 N ATOM 1255 CA ARG A 81 0.053 -14.134 7.434 1.00 2.41 C ATOM 1256 C ARG A 81 1.258 -13.761 8.294 1.00 64.34 C ATOM 1257 O ARG A 81 1.540 -12.582 8.504 1.00 1.40 O ATOM 1258 CB ARG A 81 -1.066 -14.681 8.324 1.00 54.44 C ATOM 1259 CG ARG A 81 -2.379 -14.922 7.600 1.00 72.12 C ATOM 1260 CD ARG A 81 -3.497 -15.260 8.578 1.00 65.04 C ATOM 1261 NE ARG A 81 -3.752 -14.160 9.515 1.00 1.11 N ATOM 1262 CZ ARG A 81 -4.840 -14.050 10.291 1.00 5.21 C ATOM 1263 NH1 ARG A 81 -5.774 -14.995 10.277 1.00 72.02 N ATOM 1264 NH2 ARG A 81 -4.989 -12.985 11.077 1.00 33.03 N ATOM 0 H ARG A 81 -0.031 -16.015 6.503 1.00 65.21 H new ATOM 0 HA ARG A 81 -0.299 -13.235 6.928 1.00 2.41 H new ATOM 0 HB2 ARG A 81 -0.734 -15.618 8.771 1.00 54.44 H new ATOM 0 HB3 ARG A 81 -1.239 -13.981 9.142 1.00 54.44 H new ATOM 0 HG2 ARG A 81 -2.649 -14.034 7.028 1.00 72.12 H new ATOM 0 HG3 ARG A 81 -2.259 -15.737 6.886 1.00 72.12 H new ATOM 0 HD2 ARG A 81 -4.409 -15.485 8.024 1.00 65.04 H new ATOM 0 HD3 ARG A 81 -3.233 -16.159 9.136 1.00 65.04 H new ATOM 0 HE ARG A 81 -3.049 -13.424 9.581 1.00 1.11 H new ATOM 0 HH11 ARG A 81 -5.666 -15.810 9.674 1.00 72.02 H new ATOM 0 HH12 ARG A 81 -6.599 -14.905 10.870 1.00 72.02 H new ATOM 0 HH21 ARG A 81 -4.276 -12.255 11.088 1.00 33.03 H new ATOM 0 HH22 ARG A 81 -5.816 -12.899 11.668 1.00 33.03 H new ATOM 1278 N GLY A 82 1.976 -14.771 8.774 1.00 54.11 N ATOM 1279 CA GLY A 82 3.134 -14.531 9.623 1.00 71.13 C ATOM 1280 C GLY A 82 4.284 -13.895 8.869 1.00 20.31 C ATOM 1281 O GLY A 82 5.193 -13.322 9.468 1.00 4.43 O ATOM 0 H GLY A 82 1.778 -15.755 8.591 1.00 54.11 H new ATOM 0 HA2 GLY A 82 2.845 -13.884 10.452 1.00 71.13 H new ATOM 0 HA3 GLY A 82 3.465 -15.475 10.056 1.00 71.13 H new ATOM 1285 N GLN A 83 4.236 -13.988 7.555 1.00 61.13 N ATOM 1286 CA GLN A 83 5.267 -13.424 6.704 1.00 11.14 C ATOM 1287 C GLN A 83 4.856 -12.050 6.199 1.00 1.12 C ATOM 1288 O GLN A 83 5.495 -11.482 5.307 1.00 52.23 O ATOM 1289 CB GLN A 83 5.544 -14.354 5.528 1.00 44.42 C ATOM 1290 CG GLN A 83 6.195 -15.668 5.922 1.00 34.23 C ATOM 1291 CD GLN A 83 7.537 -15.470 6.595 1.00 33.21 C ATOM 1292 OE1 GLN A 83 7.626 -15.378 7.820 1.00 32.13 O ATOM 1293 NE2 GLN A 83 8.585 -15.390 5.803 1.00 73.42 N ATOM 0 H GLN A 83 3.484 -14.455 7.048 1.00 61.13 H new ATOM 0 HA GLN A 83 6.178 -13.316 7.293 1.00 11.14 H new ATOM 0 HB2 GLN A 83 4.606 -14.564 5.015 1.00 44.42 H new ATOM 0 HB3 GLN A 83 6.189 -13.840 4.815 1.00 44.42 H new ATOM 0 HG2 GLN A 83 5.531 -16.212 6.594 1.00 34.23 H new ATOM 0 HG3 GLN A 83 6.325 -16.286 5.034 1.00 34.23 H new ATOM 0 HE21 GLN A 83 8.468 -15.471 4.793 1.00 73.42 H new ATOM 0 HE22 GLN A 83 9.514 -15.247 6.199 1.00 73.42 H new ATOM 1302 N MET A 84 3.799 -11.518 6.770 1.00 22.34 N ATOM 1303 CA MET A 84 3.298 -10.223 6.377 1.00 53.20 C ATOM 1304 C MET A 84 3.141 -9.326 7.598 1.00 61.21 C ATOM 1305 O MET A 84 3.100 -9.811 8.733 1.00 30.31 O ATOM 1306 CB MET A 84 1.962 -10.385 5.636 1.00 54.54 C ATOM 1307 CG MET A 84 1.391 -9.090 5.083 1.00 11.13 C ATOM 1308 SD MET A 84 2.607 -8.132 4.143 1.00 42.31 S ATOM 1309 CE MET A 84 3.093 -9.320 2.893 1.00 62.44 C ATOM 0 H MET A 84 3.267 -11.968 7.515 1.00 22.34 H new ATOM 0 HA MET A 84 4.012 -9.751 5.702 1.00 53.20 H new ATOM 0 HB2 MET A 84 2.099 -11.088 4.814 1.00 54.54 H new ATOM 0 HB3 MET A 84 1.234 -10.828 6.316 1.00 54.54 H new ATOM 0 HG2 MET A 84 0.540 -9.318 4.441 1.00 11.13 H new ATOM 0 HG3 MET A 84 1.015 -8.483 5.907 1.00 11.13 H new ATOM 0 HE1 MET A 84 3.949 -8.935 2.338 1.00 62.44 H new ATOM 0 HE2 MET A 84 3.364 -10.261 3.371 1.00 62.44 H new ATOM 0 HE3 MET A 84 2.262 -9.487 2.208 1.00 62.44 H new ATOM 1319 N GLN A 85 3.092 -8.024 7.369 1.00 63.44 N ATOM 1320 CA GLN A 85 2.910 -7.071 8.443 1.00 51.03 C ATOM 1321 C GLN A 85 1.531 -7.242 9.044 1.00 73.44 C ATOM 1322 O GLN A 85 0.550 -7.344 8.318 1.00 50.01 O ATOM 1323 CB GLN A 85 3.067 -5.648 7.923 1.00 15.15 C ATOM 1324 CG GLN A 85 4.408 -5.370 7.278 1.00 45.15 C ATOM 1325 CD GLN A 85 4.507 -3.959 6.746 1.00 25.11 C ATOM 1326 OE1 GLN A 85 3.508 -3.365 6.339 1.00 1.33 O ATOM 1327 NE2 GLN A 85 5.703 -3.412 6.753 1.00 71.03 N ATOM 0 H GLN A 85 3.177 -7.605 6.443 1.00 63.44 H new ATOM 0 HA GLN A 85 3.668 -7.252 9.206 1.00 51.03 H new ATOM 0 HB2 GLN A 85 2.279 -5.449 7.197 1.00 15.15 H new ATOM 0 HB3 GLN A 85 2.922 -4.952 8.750 1.00 15.15 H new ATOM 0 HG2 GLN A 85 5.201 -5.538 8.007 1.00 45.15 H new ATOM 0 HG3 GLN A 85 4.570 -6.075 6.463 1.00 45.15 H new ATOM 0 HE21 GLN A 85 6.504 -3.941 7.099 1.00 71.03 H new ATOM 0 HE22 GLN A 85 5.830 -2.459 6.412 1.00 71.03 H new ATOM 1336 N LYS A 86 1.456 -7.271 10.361 1.00 72.24 N ATOM 1337 CA LYS A 86 0.178 -7.455 11.048 1.00 14.42 C ATOM 1338 C LYS A 86 -0.860 -6.375 10.670 1.00 25.34 C ATOM 1339 O LYS A 86 -1.991 -6.714 10.315 1.00 30.14 O ATOM 1340 CB LYS A 86 0.369 -7.535 12.568 1.00 32.15 C ATOM 1341 CG LYS A 86 1.244 -8.703 13.020 1.00 35.02 C ATOM 1342 CD LYS A 86 0.727 -10.046 12.495 1.00 24.14 C ATOM 1343 CE LYS A 86 -0.689 -10.335 12.973 1.00 14.30 C ATOM 1344 NZ LYS A 86 -1.177 -11.655 12.503 1.00 13.55 N ATOM 0 H LYS A 86 2.259 -7.170 10.981 1.00 72.24 H new ATOM 0 HA LYS A 86 -0.225 -8.409 10.707 1.00 14.42 H new ATOM 0 HB2 LYS A 86 0.814 -6.604 12.918 1.00 32.15 H new ATOM 0 HB3 LYS A 86 -0.608 -7.620 13.043 1.00 32.15 H new ATOM 0 HG2 LYS A 86 2.265 -8.547 12.672 1.00 35.02 H new ATOM 0 HG3 LYS A 86 1.279 -8.729 14.109 1.00 35.02 H new ATOM 0 HD2 LYS A 86 0.749 -10.042 11.405 1.00 24.14 H new ATOM 0 HD3 LYS A 86 1.392 -10.845 12.824 1.00 24.14 H new ATOM 0 HE2 LYS A 86 -0.717 -10.305 14.062 1.00 14.30 H new ATOM 0 HE3 LYS A 86 -1.359 -9.553 12.616 1.00 14.30 H new ATOM 0 HZ1 LYS A 86 -2.186 -11.754 12.734 1.00 13.55 H new ATOM 0 HZ2 LYS A 86 -1.049 -11.726 11.473 1.00 13.55 H new ATOM 0 HZ3 LYS A 86 -0.639 -12.411 12.972 1.00 13.55 H new ATOM 1358 N PRO A 87 -0.500 -5.054 10.727 1.00 4.11 N ATOM 1359 CA PRO A 87 -1.428 -3.979 10.341 1.00 73.11 C ATOM 1360 C PRO A 87 -1.846 -4.087 8.871 1.00 74.44 C ATOM 1361 O PRO A 87 -2.906 -3.602 8.477 1.00 50.42 O ATOM 1362 CB PRO A 87 -0.620 -2.691 10.575 1.00 73.43 C ATOM 1363 CG PRO A 87 0.804 -3.130 10.601 1.00 31.05 C ATOM 1364 CD PRO A 87 0.796 -4.509 11.187 1.00 72.50 C ATOM 0 HA PRO A 87 -2.355 -4.017 10.913 1.00 73.11 H new ATOM 0 HB2 PRO A 87 -0.795 -1.965 9.781 1.00 73.43 H new ATOM 0 HB3 PRO A 87 -0.903 -2.212 11.512 1.00 73.43 H new ATOM 0 HG2 PRO A 87 1.230 -3.134 9.598 1.00 31.05 H new ATOM 0 HG3 PRO A 87 1.411 -2.453 11.202 1.00 31.05 H new ATOM 0 HD2 PRO A 87 1.635 -5.105 10.829 1.00 72.50 H new ATOM 0 HD3 PRO A 87 0.862 -4.486 12.275 1.00 72.50 H new ATOM 1372 N PHE A 88 -1.012 -4.732 8.075 1.00 34.42 N ATOM 1373 CA PHE A 88 -1.294 -4.924 6.665 1.00 35.05 C ATOM 1374 C PHE A 88 -2.205 -6.136 6.483 1.00 63.04 C ATOM 1375 O PHE A 88 -3.211 -6.071 5.782 1.00 70.31 O ATOM 1376 CB PHE A 88 0.016 -5.114 5.893 1.00 42.45 C ATOM 1377 CG PHE A 88 -0.146 -5.201 4.401 1.00 13.42 C ATOM 1378 CD1 PHE A 88 -0.185 -4.057 3.630 1.00 61.40 C ATOM 1379 CD2 PHE A 88 -0.244 -6.429 3.773 1.00 24.13 C ATOM 1380 CE1 PHE A 88 -0.321 -4.136 2.259 1.00 12.12 C ATOM 1381 CE2 PHE A 88 -0.382 -6.516 2.404 1.00 43.43 C ATOM 1382 CZ PHE A 88 -0.421 -5.370 1.647 1.00 25.41 C ATOM 0 H PHE A 88 -0.127 -5.134 8.385 1.00 34.42 H new ATOM 0 HA PHE A 88 -1.802 -4.043 6.273 1.00 35.05 H new ATOM 0 HB2 PHE A 88 0.683 -4.284 6.125 1.00 42.45 H new ATOM 0 HB3 PHE A 88 0.503 -6.023 6.246 1.00 42.45 H new ATOM 0 HD1 PHE A 88 -0.108 -3.090 4.105 1.00 61.40 H new ATOM 0 HD2 PHE A 88 -0.212 -7.333 4.363 1.00 24.13 H new ATOM 0 HE1 PHE A 88 -0.349 -3.234 1.665 1.00 12.12 H new ATOM 0 HE2 PHE A 88 -0.459 -7.482 1.928 1.00 43.43 H new ATOM 0 HZ PHE A 88 -0.530 -5.434 0.574 1.00 25.41 H new ATOM 1392 N GLU A 89 -1.838 -7.228 7.145 1.00 11.15 N ATOM 1393 CA GLU A 89 -2.580 -8.490 7.110 1.00 12.22 C ATOM 1394 C GLU A 89 -4.059 -8.278 7.411 1.00 73.54 C ATOM 1395 O GLU A 89 -4.930 -8.655 6.618 1.00 10.11 O ATOM 1396 CB GLU A 89 -1.995 -9.445 8.151 1.00 64.34 C ATOM 1397 CG GLU A 89 -2.821 -10.695 8.374 1.00 14.32 C ATOM 1398 CD GLU A 89 -2.669 -11.240 9.769 1.00 52.12 C ATOM 1399 OE1 GLU A 89 -3.374 -10.764 10.680 1.00 11.20 O ATOM 1400 OE2 GLU A 89 -1.860 -12.156 9.970 1.00 14.53 O ATOM 0 H GLU A 89 -1.004 -7.265 7.731 1.00 11.15 H new ATOM 0 HA GLU A 89 -2.490 -8.908 6.107 1.00 12.22 H new ATOM 0 HB2 GLU A 89 -0.992 -9.736 7.839 1.00 64.34 H new ATOM 0 HB3 GLU A 89 -1.893 -8.915 9.098 1.00 64.34 H new ATOM 0 HG2 GLU A 89 -3.871 -10.472 8.186 1.00 14.32 H new ATOM 0 HG3 GLU A 89 -2.523 -11.457 7.654 1.00 14.32 H new ATOM 1407 N ASP A 90 -4.324 -7.662 8.555 1.00 4.43 N ATOM 1408 CA ASP A 90 -5.685 -7.427 9.029 1.00 2.40 C ATOM 1409 C ASP A 90 -6.526 -6.685 7.994 1.00 32.34 C ATOM 1410 O ASP A 90 -7.716 -6.952 7.841 1.00 5.12 O ATOM 1411 CB ASP A 90 -5.650 -6.642 10.342 1.00 24.41 C ATOM 1412 CG ASP A 90 -7.023 -6.430 10.938 1.00 72.53 C ATOM 1413 OD1 ASP A 90 -7.532 -7.355 11.611 1.00 54.11 O ATOM 1414 OD2 ASP A 90 -7.595 -5.336 10.751 1.00 65.52 O ATOM 0 H ASP A 90 -3.602 -7.310 9.183 1.00 4.43 H new ATOM 0 HA ASP A 90 -6.152 -8.397 9.197 1.00 2.40 H new ATOM 0 HB2 ASP A 90 -5.026 -7.173 11.060 1.00 24.41 H new ATOM 0 HB3 ASP A 90 -5.182 -5.673 10.168 1.00 24.41 H new ATOM 1419 N ALA A 91 -5.896 -5.778 7.270 1.00 60.32 N ATOM 1420 CA ALA A 91 -6.592 -4.990 6.270 1.00 32.44 C ATOM 1421 C ALA A 91 -6.683 -5.726 4.930 1.00 23.44 C ATOM 1422 O ALA A 91 -7.613 -5.503 4.158 1.00 70.21 O ATOM 1423 CB ALA A 91 -5.908 -3.644 6.095 1.00 0.24 C ATOM 0 H ALA A 91 -4.901 -5.569 7.356 1.00 60.32 H new ATOM 0 HA ALA A 91 -7.611 -4.828 6.622 1.00 32.44 H new ATOM 0 HB1 ALA A 91 -6.439 -3.061 5.342 1.00 0.24 H new ATOM 0 HB2 ALA A 91 -5.916 -3.106 7.043 1.00 0.24 H new ATOM 0 HB3 ALA A 91 -4.878 -3.798 5.774 1.00 0.24 H new ATOM 1429 N SER A 92 -5.726 -6.609 4.668 1.00 30.11 N ATOM 1430 CA SER A 92 -5.685 -7.357 3.410 1.00 54.34 C ATOM 1431 C SER A 92 -6.802 -8.388 3.346 1.00 33.42 C ATOM 1432 O SER A 92 -7.516 -8.492 2.347 1.00 21.52 O ATOM 1433 CB SER A 92 -4.334 -8.053 3.249 1.00 15.42 C ATOM 1434 OG SER A 92 -3.274 -7.125 3.327 1.00 4.03 O ATOM 0 H SER A 92 -4.964 -6.827 5.310 1.00 30.11 H new ATOM 0 HA SER A 92 -5.824 -6.646 2.596 1.00 54.34 H new ATOM 0 HB2 SER A 92 -4.217 -8.810 4.024 1.00 15.42 H new ATOM 0 HB3 SER A 92 -4.299 -8.570 2.290 1.00 15.42 H new ATOM 0 HG SER A 92 -3.145 -6.854 4.260 1.00 4.03 H new ATOM 1440 N PHE A 93 -6.965 -9.137 4.426 1.00 31.34 N ATOM 1441 CA PHE A 93 -7.986 -10.170 4.484 1.00 15.20 C ATOM 1442 C PHE A 93 -9.354 -9.572 4.786 1.00 2.11 C ATOM 1443 O PHE A 93 -10.337 -10.288 4.956 1.00 22.31 O ATOM 1444 CB PHE A 93 -7.614 -11.241 5.509 1.00 24.43 C ATOM 1445 CG PHE A 93 -6.381 -12.018 5.132 1.00 42.35 C ATOM 1446 CD1 PHE A 93 -6.456 -13.056 4.218 1.00 64.02 C ATOM 1447 CD2 PHE A 93 -5.151 -11.709 5.686 1.00 73.52 C ATOM 1448 CE1 PHE A 93 -5.326 -13.768 3.862 1.00 23.24 C ATOM 1449 CE2 PHE A 93 -4.018 -12.419 5.335 1.00 33.11 C ATOM 1450 CZ PHE A 93 -4.107 -13.449 4.422 1.00 12.03 C ATOM 0 H PHE A 93 -6.404 -9.048 5.273 1.00 31.34 H new ATOM 0 HA PHE A 93 -8.042 -10.645 3.505 1.00 15.20 H new ATOM 0 HB2 PHE A 93 -7.456 -10.768 6.478 1.00 24.43 H new ATOM 0 HB3 PHE A 93 -8.450 -11.931 5.624 1.00 24.43 H new ATOM 0 HD1 PHE A 93 -7.409 -13.312 3.778 1.00 64.02 H new ATOM 0 HD2 PHE A 93 -5.075 -10.903 6.401 1.00 73.52 H new ATOM 0 HE1 PHE A 93 -5.398 -14.573 3.146 1.00 23.24 H new ATOM 0 HE2 PHE A 93 -3.064 -12.167 5.775 1.00 33.11 H new ATOM 0 HZ PHE A 93 -3.223 -14.005 4.146 1.00 12.03 H new ATOM 1460 N ALA A 94 -9.407 -8.253 4.843 1.00 21.10 N ATOM 1461 CA ALA A 94 -10.650 -7.542 5.058 1.00 4.00 C ATOM 1462 C ALA A 94 -11.151 -6.980 3.734 1.00 73.41 C ATOM 1463 O ALA A 94 -12.029 -6.117 3.698 1.00 52.11 O ATOM 1464 CB ALA A 94 -10.452 -6.424 6.072 1.00 31.14 C ATOM 0 H ALA A 94 -8.592 -7.649 4.742 1.00 21.10 H new ATOM 0 HA ALA A 94 -11.394 -8.233 5.455 1.00 4.00 H new ATOM 0 HB1 ALA A 94 -11.395 -5.899 6.223 1.00 31.14 H new ATOM 0 HB2 ALA A 94 -10.116 -6.847 7.019 1.00 31.14 H new ATOM 0 HB3 ALA A 94 -9.703 -5.725 5.701 1.00 31.14 H new ATOM 1470 N LEU A 95 -10.578 -7.478 2.646 1.00 54.12 N ATOM 1471 CA LEU A 95 -10.943 -7.046 1.304 1.00 4.11 C ATOM 1472 C LEU A 95 -11.419 -8.231 0.478 1.00 31.03 C ATOM 1473 O LEU A 95 -11.243 -9.383 0.874 1.00 72.31 O ATOM 1474 CB LEU A 95 -9.739 -6.405 0.604 1.00 21.22 C ATOM 1475 CG LEU A 95 -9.116 -5.197 1.296 1.00 12.24 C ATOM 1476 CD1 LEU A 95 -7.873 -4.756 0.548 1.00 25.14 C ATOM 1477 CD2 LEU A 95 -10.117 -4.054 1.386 1.00 71.30 C ATOM 0 H LEU A 95 -9.849 -8.191 2.669 1.00 54.12 H new ATOM 0 HA LEU A 95 -11.747 -6.315 1.391 1.00 4.11 H new ATOM 0 HB2 LEU A 95 -8.968 -7.166 0.485 1.00 21.22 H new ATOM 0 HB3 LEU A 95 -10.046 -6.104 -0.397 1.00 21.22 H new ATOM 0 HG LEU A 95 -8.835 -5.482 2.310 1.00 12.24 H new ATOM 0 HD11 LEU A 95 -7.434 -3.893 1.049 1.00 25.14 H new ATOM 0 HD12 LEU A 95 -7.150 -5.572 0.531 1.00 25.14 H new ATOM 0 HD13 LEU A 95 -8.140 -4.486 -0.474 1.00 25.14 H new ATOM 0 HD21 LEU A 95 -9.653 -3.202 1.883 1.00 71.30 H new ATOM 0 HD22 LEU A 95 -10.429 -3.763 0.383 1.00 71.30 H new ATOM 0 HD23 LEU A 95 -10.988 -4.377 1.957 1.00 71.30 H new ATOM 1489 N ARG A 96 -12.006 -7.942 -0.668 1.00 21.32 N ATOM 1490 CA ARG A 96 -12.464 -8.974 -1.590 1.00 41.51 C ATOM 1491 C ARG A 96 -11.628 -8.932 -2.862 1.00 14.42 C ATOM 1492 O ARG A 96 -10.773 -8.058 -3.016 1.00 14.22 O ATOM 1493 CB ARG A 96 -13.939 -8.770 -1.938 1.00 64.34 C ATOM 1494 CG ARG A 96 -14.875 -8.848 -0.748 1.00 2.00 C ATOM 1495 CD ARG A 96 -16.318 -8.646 -1.172 1.00 52.42 C ATOM 1496 NE ARG A 96 -17.231 -8.677 -0.033 1.00 22.24 N ATOM 1497 CZ ARG A 96 -18.546 -8.478 -0.115 1.00 13.33 C ATOM 1498 NH1 ARG A 96 -19.118 -8.248 -1.294 1.00 40.03 N ATOM 1499 NH2 ARG A 96 -19.290 -8.509 0.982 1.00 0.32 N ATOM 0 H ARG A 96 -12.180 -6.990 -0.989 1.00 21.32 H new ATOM 0 HA ARG A 96 -12.351 -9.945 -1.109 1.00 41.51 H new ATOM 0 HB2 ARG A 96 -14.057 -7.797 -2.415 1.00 64.34 H new ATOM 0 HB3 ARG A 96 -14.236 -9.522 -2.669 1.00 64.34 H new ATOM 0 HG2 ARG A 96 -14.768 -9.817 -0.261 1.00 2.00 H new ATOM 0 HG3 ARG A 96 -14.599 -8.090 -0.014 1.00 2.00 H new ATOM 0 HD2 ARG A 96 -16.414 -7.691 -1.688 1.00 52.42 H new ATOM 0 HD3 ARG A 96 -16.599 -9.422 -1.884 1.00 52.42 H new ATOM 0 HE ARG A 96 -16.835 -8.864 0.888 1.00 22.24 H new ATOM 0 HH11 ARG A 96 -18.549 -8.223 -2.141 1.00 40.03 H new ATOM 0 HH12 ARG A 96 -20.125 -8.096 -1.351 1.00 40.03 H new ATOM 0 HH21 ARG A 96 -18.856 -8.685 1.888 1.00 0.32 H new ATOM 0 HH22 ARG A 96 -20.297 -8.357 0.920 1.00 0.32 H new ATOM 1513 N THR A 97 -11.873 -9.863 -3.766 1.00 60.23 N ATOM 1514 CA THR A 97 -11.153 -9.911 -5.028 1.00 22.22 C ATOM 1515 C THR A 97 -11.441 -8.655 -5.860 1.00 44.13 C ATOM 1516 O THR A 97 -12.597 -8.371 -6.198 1.00 44.32 O ATOM 1517 CB THR A 97 -11.545 -11.162 -5.838 1.00 23.41 C ATOM 1518 OG1 THR A 97 -11.358 -12.337 -5.032 1.00 34.41 O ATOM 1519 CG2 THR A 97 -10.703 -11.275 -7.101 1.00 2.14 C ATOM 0 H THR A 97 -12.568 -10.600 -3.650 1.00 60.23 H new ATOM 0 HA THR A 97 -10.088 -9.957 -4.801 1.00 22.22 H new ATOM 0 HB THR A 97 -12.593 -11.073 -6.125 1.00 23.41 H new ATOM 0 HG1 THR A 97 -10.463 -12.321 -4.634 1.00 34.41 H new ATOM 0 HG21 THR A 97 -10.998 -12.165 -7.656 1.00 2.14 H new ATOM 0 HG22 THR A 97 -10.858 -10.392 -7.722 1.00 2.14 H new ATOM 0 HG23 THR A 97 -9.650 -11.348 -6.831 1.00 2.14 H new ATOM 1527 N GLY A 98 -10.393 -7.900 -6.164 1.00 43.15 N ATOM 1528 CA GLY A 98 -10.548 -6.688 -6.942 1.00 21.31 C ATOM 1529 C GLY A 98 -10.875 -5.485 -6.080 1.00 52.22 C ATOM 1530 O GLY A 98 -11.099 -4.382 -6.592 1.00 73.22 O ATOM 0 H GLY A 98 -9.434 -8.108 -5.884 1.00 43.15 H new ATOM 0 HA2 GLY A 98 -9.629 -6.495 -7.496 1.00 21.31 H new ATOM 0 HA3 GLY A 98 -11.340 -6.830 -7.677 1.00 21.31 H new ATOM 1534 N GLU A 99 -10.906 -5.694 -4.777 1.00 25.14 N ATOM 1535 CA GLU A 99 -11.208 -4.631 -3.841 1.00 65.40 C ATOM 1536 C GLU A 99 -9.918 -3.978 -3.357 1.00 52.14 C ATOM 1537 O GLU A 99 -8.885 -4.648 -3.210 1.00 32.32 O ATOM 1538 CB GLU A 99 -12.015 -5.182 -2.659 1.00 62.24 C ATOM 1539 CG GLU A 99 -12.485 -4.127 -1.674 1.00 43.12 C ATOM 1540 CD GLU A 99 -13.338 -3.066 -2.328 1.00 21.50 C ATOM 1541 OE1 GLU A 99 -14.564 -3.263 -2.428 1.00 4.21 O ATOM 1542 OE2 GLU A 99 -12.785 -2.029 -2.745 1.00 2.10 O ATOM 0 H GLU A 99 -10.724 -6.598 -4.342 1.00 25.14 H new ATOM 0 HA GLU A 99 -11.810 -3.874 -4.344 1.00 65.40 H new ATOM 0 HB2 GLU A 99 -12.884 -5.714 -3.045 1.00 62.24 H new ATOM 0 HB3 GLU A 99 -11.405 -5.912 -2.127 1.00 62.24 H new ATOM 0 HG2 GLU A 99 -13.054 -4.606 -0.877 1.00 43.12 H new ATOM 0 HG3 GLU A 99 -11.619 -3.657 -1.209 1.00 43.12 H new ATOM 1549 N MET A 100 -9.981 -2.684 -3.112 1.00 32.23 N ATOM 1550 CA MET A 100 -8.825 -1.924 -2.682 1.00 12.30 C ATOM 1551 C MET A 100 -9.136 -1.182 -1.393 1.00 0.21 C ATOM 1552 O MET A 100 -10.179 -0.538 -1.278 1.00 1.20 O ATOM 1553 CB MET A 100 -8.417 -0.931 -3.773 1.00 71.54 C ATOM 1554 CG MET A 100 -7.143 -0.161 -3.467 1.00 55.24 C ATOM 1555 SD MET A 100 -6.723 1.032 -4.756 1.00 11.23 S ATOM 1556 CE MET A 100 -8.111 2.157 -4.642 1.00 22.02 C ATOM 0 H MET A 100 -10.833 -2.131 -3.205 1.00 32.23 H new ATOM 0 HA MET A 100 -7.999 -2.612 -2.501 1.00 12.30 H new ATOM 0 HB2 MET A 100 -8.286 -1.471 -4.710 1.00 71.54 H new ATOM 0 HB3 MET A 100 -9.230 -0.221 -3.926 1.00 71.54 H new ATOM 0 HG2 MET A 100 -7.258 0.362 -2.518 1.00 55.24 H new ATOM 0 HG3 MET A 100 -6.319 -0.864 -3.346 1.00 55.24 H new ATOM 0 HE1 MET A 100 -7.945 3.008 -5.302 1.00 22.02 H new ATOM 0 HE2 MET A 100 -9.024 1.640 -4.939 1.00 22.02 H new ATOM 0 HE3 MET A 100 -8.211 2.508 -3.615 1.00 22.02 H new ATOM 1566 N SER A 101 -8.239 -1.271 -0.433 1.00 15.10 N ATOM 1567 CA SER A 101 -8.430 -0.618 0.847 1.00 53.11 C ATOM 1568 C SER A 101 -8.141 0.871 0.744 1.00 11.24 C ATOM 1569 O SER A 101 -7.647 1.353 -0.282 1.00 41.55 O ATOM 1570 CB SER A 101 -7.513 -1.243 1.900 1.00 31.45 C ATOM 1571 OG SER A 101 -6.150 -1.133 1.517 1.00 24.32 O ATOM 0 H SER A 101 -7.366 -1.792 -0.515 1.00 15.10 H new ATOM 0 HA SER A 101 -9.470 -0.754 1.143 1.00 53.11 H new ATOM 0 HB2 SER A 101 -7.666 -0.749 2.860 1.00 31.45 H new ATOM 0 HB3 SER A 101 -7.773 -2.293 2.037 1.00 31.45 H new ATOM 0 HG SER A 101 -5.577 -1.390 2.269 1.00 24.32 H new ATOM 1577 N GLY A 102 -8.451 1.593 1.802 1.00 23.42 N ATOM 1578 CA GLY A 102 -8.152 2.995 1.841 1.00 71.53 C ATOM 1579 C GLY A 102 -6.766 3.231 2.399 1.00 41.14 C ATOM 1580 O GLY A 102 -5.882 2.381 2.243 1.00 1.11 O ATOM 0 H GLY A 102 -8.907 1.227 2.638 1.00 23.42 H new ATOM 0 HA2 GLY A 102 -8.222 3.415 0.837 1.00 71.53 H new ATOM 0 HA3 GLY A 102 -8.889 3.512 2.455 1.00 71.53 H new ATOM 1584 N PRO A 103 -6.538 4.362 3.063 1.00 51.43 N ATOM 1585 CA PRO A 103 -5.249 4.669 3.653 1.00 15.14 C ATOM 1586 C PRO A 103 -4.977 3.826 4.899 1.00 2.13 C ATOM 1587 O PRO A 103 -5.443 4.146 5.993 1.00 11.15 O ATOM 1588 CB PRO A 103 -5.354 6.163 4.030 1.00 3.43 C ATOM 1589 CG PRO A 103 -6.631 6.640 3.413 1.00 54.45 C ATOM 1590 CD PRO A 103 -7.507 5.431 3.287 1.00 65.31 C ATOM 0 HA PRO A 103 -4.430 4.454 2.967 1.00 15.14 H new ATOM 0 HB2 PRO A 103 -5.367 6.295 5.112 1.00 3.43 H new ATOM 0 HB3 PRO A 103 -4.500 6.725 3.651 1.00 3.43 H new ATOM 0 HG2 PRO A 103 -7.104 7.401 4.034 1.00 54.45 H new ATOM 0 HG3 PRO A 103 -6.448 7.092 2.438 1.00 54.45 H new ATOM 0 HD2 PRO A 103 -8.097 5.262 4.188 1.00 65.31 H new ATOM 0 HD3 PRO A 103 -8.209 5.523 2.458 1.00 65.31 H new ATOM 1598 N VAL A 104 -4.249 2.735 4.725 1.00 62.02 N ATOM 1599 CA VAL A 104 -3.893 1.881 5.842 1.00 62.34 C ATOM 1600 C VAL A 104 -2.588 2.364 6.450 1.00 21.43 C ATOM 1601 O VAL A 104 -1.512 2.184 5.872 1.00 13.23 O ATOM 1602 CB VAL A 104 -3.757 0.397 5.419 1.00 14.52 C ATOM 1603 CG1 VAL A 104 -3.388 -0.478 6.611 1.00 74.35 C ATOM 1604 CG2 VAL A 104 -5.048 -0.093 4.775 1.00 53.33 C ATOM 0 H VAL A 104 -3.894 2.422 3.821 1.00 62.02 H new ATOM 0 HA VAL A 104 -4.696 1.939 6.577 1.00 62.34 H new ATOM 0 HB VAL A 104 -2.954 0.325 4.686 1.00 14.52 H new ATOM 0 HG11 VAL A 104 -3.299 -1.515 6.287 1.00 74.35 H new ATOM 0 HG12 VAL A 104 -2.437 -0.144 7.027 1.00 74.35 H new ATOM 0 HG13 VAL A 104 -4.164 -0.401 7.373 1.00 74.35 H new ATOM 0 HG21 VAL A 104 -4.936 -1.137 4.484 1.00 53.33 H new ATOM 0 HG22 VAL A 104 -5.868 -0.001 5.488 1.00 53.33 H new ATOM 0 HG23 VAL A 104 -5.265 0.509 3.892 1.00 53.33 H new ATOM 1614 N PHE A 105 -2.692 2.997 7.596 1.00 63.51 N ATOM 1615 CA PHE A 105 -1.540 3.570 8.263 1.00 65.14 C ATOM 1616 C PHE A 105 -0.674 2.496 8.900 1.00 50.13 C ATOM 1617 O PHE A 105 -1.181 1.551 9.519 1.00 51.35 O ATOM 1618 CB PHE A 105 -1.981 4.582 9.322 1.00 10.22 C ATOM 1619 CG PHE A 105 -2.750 5.752 8.771 1.00 3.32 C ATOM 1620 CD1 PHE A 105 -4.128 5.700 8.658 1.00 54.32 C ATOM 1621 CD2 PHE A 105 -2.093 6.903 8.369 1.00 52.41 C ATOM 1622 CE1 PHE A 105 -4.838 6.771 8.155 1.00 40.52 C ATOM 1623 CE2 PHE A 105 -2.798 7.979 7.865 1.00 20.41 C ATOM 1624 CZ PHE A 105 -4.173 7.912 7.759 1.00 54.52 C ATOM 0 H PHE A 105 -3.573 3.130 8.093 1.00 63.51 H new ATOM 0 HA PHE A 105 -0.944 4.081 7.507 1.00 65.14 H new ATOM 0 HB2 PHE A 105 -2.597 4.072 10.062 1.00 10.22 H new ATOM 0 HB3 PHE A 105 -1.099 4.954 9.843 1.00 10.22 H new ATOM 0 HD1 PHE A 105 -4.655 4.809 8.968 1.00 54.32 H new ATOM 0 HD2 PHE A 105 -1.018 6.960 8.450 1.00 52.41 H new ATOM 0 HE1 PHE A 105 -5.913 6.716 8.072 1.00 40.52 H new ATOM 0 HE2 PHE A 105 -2.274 8.871 7.554 1.00 20.41 H new ATOM 0 HZ PHE A 105 -4.727 8.752 7.367 1.00 54.52 H new ATOM 1634 N THR A 106 0.624 2.639 8.729 1.00 64.45 N ATOM 1635 CA THR A 106 1.589 1.735 9.313 1.00 52.44 C ATOM 1636 C THR A 106 2.705 2.539 9.985 1.00 72.51 C ATOM 1637 O THR A 106 2.567 3.753 10.173 1.00 51.21 O ATOM 1638 CB THR A 106 2.180 0.765 8.257 1.00 32.04 C ATOM 1639 OG1 THR A 106 2.579 1.487 7.091 1.00 72.22 O ATOM 1640 CG2 THR A 106 1.168 -0.305 7.869 1.00 61.30 C ATOM 0 H THR A 106 1.040 3.390 8.178 1.00 64.45 H new ATOM 0 HA THR A 106 1.077 1.128 10.060 1.00 52.44 H new ATOM 0 HB THR A 106 3.049 0.279 8.700 1.00 32.04 H new ATOM 0 HG1 THR A 106 2.641 2.442 7.303 1.00 72.22 H new ATOM 0 HG21 THR A 106 1.609 -0.971 7.127 1.00 61.30 H new ATOM 0 HG22 THR A 106 0.889 -0.879 8.752 1.00 61.30 H new ATOM 0 HG23 THR A 106 0.281 0.169 7.449 1.00 61.30 H new ATOM 1648 N ASP A 107 3.797 1.880 10.331 1.00 62.34 N ATOM 1649 CA ASP A 107 4.897 2.533 11.044 1.00 74.53 C ATOM 1650 C ASP A 107 5.585 3.614 10.211 1.00 63.10 C ATOM 1651 O ASP A 107 5.738 4.750 10.662 1.00 55.30 O ATOM 1652 CB ASP A 107 5.935 1.506 11.507 1.00 64.24 C ATOM 1653 CG ASP A 107 5.383 0.525 12.514 1.00 31.44 C ATOM 1654 OD1 ASP A 107 5.064 0.943 13.640 1.00 25.31 O ATOM 1655 OD2 ASP A 107 5.268 -0.675 12.182 1.00 30.22 O ATOM 0 H ASP A 107 3.952 0.892 10.132 1.00 62.34 H new ATOM 0 HA ASP A 107 4.449 3.019 11.911 1.00 74.53 H new ATOM 0 HB2 ASP A 107 6.308 0.959 10.641 1.00 64.24 H new ATOM 0 HB3 ASP A 107 6.785 2.029 11.945 1.00 64.24 H new ATOM 1660 N SER A 108 5.998 3.266 9.006 1.00 21.31 N ATOM 1661 CA SER A 108 6.748 4.194 8.173 1.00 51.21 C ATOM 1662 C SER A 108 5.850 5.030 7.255 1.00 62.43 C ATOM 1663 O SER A 108 6.112 6.219 7.034 1.00 64.14 O ATOM 1664 CB SER A 108 7.794 3.441 7.350 1.00 61.33 C ATOM 1665 OG SER A 108 8.589 4.338 6.590 1.00 2.51 O ATOM 0 H SER A 108 5.829 2.354 8.582 1.00 21.31 H new ATOM 0 HA SER A 108 7.246 4.891 8.847 1.00 51.21 H new ATOM 0 HB2 SER A 108 8.432 2.857 8.014 1.00 61.33 H new ATOM 0 HB3 SER A 108 7.298 2.736 6.683 1.00 61.33 H new ATOM 0 HG SER A 108 9.497 4.362 6.958 1.00 2.51 H new ATOM 1671 N GLY A 109 4.812 4.430 6.718 1.00 13.53 N ATOM 1672 CA GLY A 109 3.962 5.157 5.812 1.00 75.10 C ATOM 1673 C GLY A 109 2.573 4.595 5.717 1.00 15.52 C ATOM 1674 O GLY A 109 2.073 3.978 6.655 1.00 23.41 O ATOM 0 H GLY A 109 4.542 3.461 6.889 1.00 13.53 H new ATOM 0 HA2 GLY A 109 3.904 6.196 6.135 1.00 75.10 H new ATOM 0 HA3 GLY A 109 4.415 5.156 4.821 1.00 75.10 H new ATOM 1678 N ILE A 110 1.947 4.814 4.585 1.00 74.44 N ATOM 1679 CA ILE A 110 0.604 4.340 4.347 1.00 2.53 C ATOM 1680 C ILE A 110 0.622 3.242 3.290 1.00 44.23 C ATOM 1681 O ILE A 110 1.321 3.354 2.280 1.00 12.50 O ATOM 1682 CB ILE A 110 -0.321 5.494 3.893 1.00 61.40 C ATOM 1683 CG1 ILE A 110 -0.298 6.629 4.929 1.00 2.33 C ATOM 1684 CG2 ILE A 110 -1.743 4.989 3.686 1.00 3.14 C ATOM 1685 CD1 ILE A 110 -1.092 7.853 4.522 1.00 34.31 C ATOM 0 H ILE A 110 2.354 5.326 3.803 1.00 74.44 H new ATOM 0 HA ILE A 110 0.213 3.938 5.282 1.00 2.53 H new ATOM 0 HB ILE A 110 0.046 5.881 2.942 1.00 61.40 H new ATOM 0 HG12 ILE A 110 -0.690 6.252 5.874 1.00 2.33 H new ATOM 0 HG13 ILE A 110 0.736 6.923 5.108 1.00 2.33 H new ATOM 0 HG21 ILE A 110 -2.379 5.814 3.367 1.00 3.14 H new ATOM 0 HG22 ILE A 110 -1.746 4.212 2.921 1.00 3.14 H new ATOM 0 HG23 ILE A 110 -2.123 4.578 4.621 1.00 3.14 H new ATOM 0 HD11 ILE A 110 -1.025 8.607 5.306 1.00 34.31 H new ATOM 0 HD12 ILE A 110 -0.687 8.257 3.594 1.00 34.31 H new ATOM 0 HD13 ILE A 110 -2.136 7.576 4.372 1.00 34.31 H new ATOM 1697 N HIS A 111 -0.121 2.177 3.538 1.00 63.25 N ATOM 1698 CA HIS A 111 -0.178 1.046 2.625 1.00 32.13 C ATOM 1699 C HIS A 111 -1.549 0.928 1.978 1.00 63.53 C ATOM 1700 O HIS A 111 -2.565 0.894 2.662 1.00 64.21 O ATOM 1701 CB HIS A 111 0.149 -0.271 3.362 1.00 20.11 C ATOM 1702 CG HIS A 111 1.601 -0.453 3.706 1.00 20.52 C ATOM 1703 ND1 HIS A 111 2.259 -1.665 3.597 1.00 62.12 N ATOM 1704 CD2 HIS A 111 2.522 0.423 4.158 1.00 11.44 C ATOM 1705 CE1 HIS A 111 3.517 -1.515 3.965 1.00 2.43 C ATOM 1706 NE2 HIS A 111 3.702 -0.263 4.308 1.00 40.51 N ATOM 0 H HIS A 111 -0.699 2.071 4.372 1.00 63.25 H new ATOM 0 HA HIS A 111 0.566 1.221 1.848 1.00 32.13 H new ATOM 0 HB2 HIS A 111 -0.436 -0.313 4.281 1.00 20.11 H new ATOM 0 HB3 HIS A 111 -0.171 -1.108 2.742 1.00 20.11 H new ATOM 0 HD1 HIS A 111 1.837 -2.538 3.281 1.00 62.12 H new ATOM 0 HD2 HIS A 111 2.361 1.471 4.364 1.00 11.44 H new ATOM 0 HE1 HIS A 111 4.267 -2.292 3.981 1.00 2.43 H new ATOM 1715 N ILE A 112 -1.568 0.890 0.663 1.00 64.42 N ATOM 1716 CA ILE A 112 -2.794 0.661 -0.079 1.00 65.22 C ATOM 1717 C ILE A 112 -2.795 -0.789 -0.537 1.00 64.23 C ATOM 1718 O ILE A 112 -1.815 -1.253 -1.130 1.00 14.11 O ATOM 1719 CB ILE A 112 -2.907 1.580 -1.318 1.00 21.25 C ATOM 1720 CG1 ILE A 112 -2.634 3.040 -0.940 1.00 62.41 C ATOM 1721 CG2 ILE A 112 -4.291 1.449 -1.943 1.00 72.33 C ATOM 1722 CD1 ILE A 112 -2.675 3.991 -2.122 1.00 51.34 C ATOM 0 H ILE A 112 -0.741 1.016 0.079 1.00 64.42 H new ATOM 0 HA ILE A 112 -3.641 0.882 0.570 1.00 65.22 H new ATOM 0 HB ILE A 112 -2.157 1.269 -2.046 1.00 21.25 H new ATOM 0 HG12 ILE A 112 -3.370 3.359 -0.202 1.00 62.41 H new ATOM 0 HG13 ILE A 112 -1.656 3.107 -0.464 1.00 62.41 H new ATOM 0 HG21 ILE A 112 -4.360 2.100 -2.814 1.00 72.33 H new ATOM 0 HG22 ILE A 112 -4.456 0.416 -2.248 1.00 72.33 H new ATOM 0 HG23 ILE A 112 -5.048 1.737 -1.214 1.00 72.33 H new ATOM 0 HD11 ILE A 112 -2.473 5.006 -1.780 1.00 51.34 H new ATOM 0 HD12 ILE A 112 -1.920 3.697 -2.852 1.00 51.34 H new ATOM 0 HD13 ILE A 112 -3.661 3.954 -2.585 1.00 51.34 H new ATOM 1734 N ILE A 113 -3.861 -1.505 -0.251 1.00 61.04 N ATOM 1735 CA ILE A 113 -3.919 -2.922 -0.557 1.00 31.13 C ATOM 1736 C ILE A 113 -4.932 -3.216 -1.650 1.00 31.22 C ATOM 1737 O ILE A 113 -6.064 -2.738 -1.603 1.00 35.24 O ATOM 1738 CB ILE A 113 -4.298 -3.737 0.696 1.00 11.15 C ATOM 1739 CG1 ILE A 113 -3.494 -3.252 1.903 1.00 43.34 C ATOM 1740 CG2 ILE A 113 -4.058 -5.226 0.454 1.00 73.42 C ATOM 1741 CD1 ILE A 113 -3.910 -3.881 3.208 1.00 54.42 C ATOM 0 H ILE A 113 -4.700 -1.131 0.193 1.00 61.04 H new ATOM 0 HA ILE A 113 -2.927 -3.212 -0.903 1.00 31.13 H new ATOM 0 HB ILE A 113 -5.358 -3.590 0.903 1.00 11.15 H new ATOM 0 HG12 ILE A 113 -2.438 -3.460 1.731 1.00 43.34 H new ATOM 0 HG13 ILE A 113 -3.596 -2.170 1.984 1.00 43.34 H new ATOM 0 HG21 ILE A 113 -4.330 -5.788 1.347 1.00 73.42 H new ATOM 0 HG22 ILE A 113 -4.667 -5.561 -0.385 1.00 73.42 H new ATOM 0 HG23 ILE A 113 -3.005 -5.393 0.227 1.00 73.42 H new ATOM 0 HD11 ILE A 113 -3.293 -3.486 4.015 1.00 54.42 H new ATOM 0 HD12 ILE A 113 -4.957 -3.651 3.405 1.00 54.42 H new ATOM 0 HD13 ILE A 113 -3.781 -4.962 3.149 1.00 54.42 H new ATOM 1753 N LEU A 114 -4.518 -3.998 -2.628 1.00 33.23 N ATOM 1754 CA LEU A 114 -5.396 -4.423 -3.702 1.00 53.14 C ATOM 1755 C LEU A 114 -5.355 -5.938 -3.821 1.00 1.12 C ATOM 1756 O LEU A 114 -4.309 -6.514 -4.141 1.00 42.40 O ATOM 1757 CB LEU A 114 -4.981 -3.784 -5.033 1.00 11.03 C ATOM 1758 CG LEU A 114 -5.808 -4.202 -6.258 1.00 12.43 C ATOM 1759 CD1 LEU A 114 -7.240 -3.705 -6.142 1.00 64.53 C ATOM 1760 CD2 LEU A 114 -5.167 -3.694 -7.537 1.00 22.10 C ATOM 0 H LEU A 114 -3.566 -4.356 -2.701 1.00 33.23 H new ATOM 0 HA LEU A 114 -6.411 -4.100 -3.470 1.00 53.14 H new ATOM 0 HB2 LEU A 114 -5.041 -2.701 -4.929 1.00 11.03 H new ATOM 0 HB3 LEU A 114 -3.936 -4.029 -5.222 1.00 11.03 H new ATOM 0 HG LEU A 114 -5.830 -5.291 -6.295 1.00 12.43 H new ATOM 0 HD11 LEU A 114 -7.805 -4.014 -7.022 1.00 64.53 H new ATOM 0 HD12 LEU A 114 -7.700 -4.127 -5.249 1.00 64.53 H new ATOM 0 HD13 LEU A 114 -7.243 -2.617 -6.072 1.00 64.53 H new ATOM 0 HD21 LEU A 114 -5.769 -4.001 -8.392 1.00 22.10 H new ATOM 0 HD22 LEU A 114 -5.108 -2.606 -7.507 1.00 22.10 H new ATOM 0 HD23 LEU A 114 -4.164 -4.110 -7.631 1.00 22.10 H new ATOM 1772 N ARG A 115 -6.477 -6.587 -3.547 1.00 20.34 N ATOM 1773 CA ARG A 115 -6.543 -8.039 -3.633 1.00 11.22 C ATOM 1774 C ARG A 115 -6.658 -8.505 -5.064 1.00 70.35 C ATOM 1775 O ARG A 115 -7.727 -8.414 -5.674 1.00 53.32 O ATOM 1776 CB ARG A 115 -7.704 -8.615 -2.821 1.00 3.50 C ATOM 1777 CG ARG A 115 -7.396 -8.849 -1.356 1.00 11.02 C ATOM 1778 CD ARG A 115 -8.444 -9.750 -0.716 1.00 72.45 C ATOM 1779 NE ARG A 115 -8.545 -11.052 -1.397 1.00 3.00 N ATOM 1780 CZ ARG A 115 -9.488 -11.971 -1.156 1.00 71.22 C ATOM 1781 NH1 ARG A 115 -10.440 -11.744 -0.254 1.00 54.22 N ATOM 1782 NH2 ARG A 115 -9.480 -13.106 -1.835 1.00 41.42 N ATOM 0 H ARG A 115 -7.348 -6.136 -3.265 1.00 20.34 H new ATOM 0 HA ARG A 115 -5.609 -8.408 -3.210 1.00 11.22 H new ATOM 0 HB2 ARG A 115 -8.554 -7.937 -2.896 1.00 3.50 H new ATOM 0 HB3 ARG A 115 -8.010 -9.560 -3.270 1.00 3.50 H new ATOM 0 HG2 ARG A 115 -6.410 -9.303 -1.256 1.00 11.02 H new ATOM 0 HG3 ARG A 115 -7.362 -7.895 -0.831 1.00 11.02 H new ATOM 0 HD2 ARG A 115 -8.194 -9.908 0.333 1.00 72.45 H new ATOM 0 HD3 ARG A 115 -9.413 -9.252 -0.741 1.00 72.45 H new ATOM 0 HE ARG A 115 -7.844 -11.270 -2.105 1.00 3.00 H new ATOM 0 HH11 ARG A 115 -10.455 -10.864 0.261 1.00 54.22 H new ATOM 0 HH12 ARG A 115 -11.154 -12.451 -0.077 1.00 54.22 H new ATOM 0 HH21 ARG A 115 -8.759 -13.276 -2.536 1.00 41.42 H new ATOM 0 HH22 ARG A 115 -10.195 -13.812 -1.657 1.00 41.42 H new ATOM 1796 N THR A 116 -5.558 -8.983 -5.604 1.00 51.00 N ATOM 1797 CA THR A 116 -5.552 -9.541 -6.931 1.00 35.02 C ATOM 1798 C THR A 116 -6.307 -10.864 -6.902 1.00 13.41 C ATOM 1799 O THR A 116 -7.143 -11.145 -7.763 1.00 53.03 O ATOM 1800 CB THR A 116 -4.111 -9.782 -7.406 1.00 74.53 C ATOM 1801 OG1 THR A 116 -3.300 -8.650 -7.055 1.00 12.14 O ATOM 1802 CG2 THR A 116 -4.066 -9.987 -8.915 1.00 33.32 C ATOM 0 H THR A 116 -4.651 -8.994 -5.137 1.00 51.00 H new ATOM 0 HA THR A 116 -6.030 -8.845 -7.620 1.00 35.02 H new ATOM 0 HB THR A 116 -3.730 -10.681 -6.922 1.00 74.53 H new ATOM 0 HG1 THR A 116 -2.379 -8.801 -7.355 1.00 12.14 H new ATOM 0 HG21 THR A 116 -3.036 -10.156 -9.229 1.00 33.32 H new ATOM 0 HG22 THR A 116 -4.673 -10.852 -9.183 1.00 33.32 H new ATOM 0 HG23 THR A 116 -4.457 -9.100 -9.414 1.00 33.32 H new ATOM 1810 N GLU A 117 -6.016 -11.653 -5.882 1.00 30.14 N ATOM 1811 CA GLU A 117 -6.675 -12.917 -5.655 1.00 24.22 C ATOM 1812 C GLU A 117 -7.656 -12.776 -4.508 1.00 34.35 C ATOM 1813 O GLU A 117 -8.863 -12.970 -4.725 1.00 0.00 O ATOM 1814 CB GLU A 117 -5.653 -14.007 -5.333 1.00 54.24 C ATOM 1815 CG GLU A 117 -4.805 -14.437 -6.518 1.00 14.01 C ATOM 1816 CD GLU A 117 -5.608 -15.161 -7.573 1.00 71.35 C ATOM 1817 OE1 GLU A 117 -6.090 -16.279 -7.299 1.00 11.21 O ATOM 1818 OE2 GLU A 117 -5.761 -14.623 -8.687 1.00 23.42 O ATOM 1819 OXT GLU A 117 -7.213 -12.447 -3.391 1.00 0.00 O ATOM 0 H GLU A 117 -5.307 -11.427 -5.184 1.00 30.14 H new ATOM 0 HA GLU A 117 -7.210 -13.203 -6.561 1.00 24.22 H new ATOM 0 HB2 GLU A 117 -4.995 -13.650 -4.541 1.00 54.24 H new ATOM 0 HB3 GLU A 117 -6.179 -14.878 -4.942 1.00 54.24 H new ATOM 0 HG2 GLU A 117 -4.336 -13.559 -6.962 1.00 14.01 H new ATOM 0 HG3 GLU A 117 -4.002 -15.086 -6.169 1.00 14.01 H new TER 1826 GLU A 117