USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 832 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 30 THR OG1 : rot 180:sc= -0.283 USER MOD Set 1.2: A 53 MET CE :methyl 163:sc= -5.68! (180deg=-7.51!) USER MOD Set 2.1: A 18 SER OG : rot -62:sc= 1.04 USER MOD Set 2.2: A 78 ASN : amide:sc= -3.57! C(o=-1.7!,f=-6.7!) USER MOD Set 2.3: A 80 THR OG1 : rot -16:sc= 0.814 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 5 GLN :FLIP amide:sc= -21.9! C(o=-25!,f=-22!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.108 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -119:sc= 0.276 USER MOD Single : A 25 SER OG : rot 69:sc= 0.00713 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -28:sc= 0.452 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.61 F(o=-4.2!,f=-0.61) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -130:sc= -0.459 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00408 USER MOD Single : A 52 TYR OH : rot 30:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0456 X(o=-0.046,f=-0.046) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 80:sc= 0.783 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.686 X(o=-0.69,f=-1) USER MOD Single : A 87 MET CE :methyl -155:sc= -0.16 (180deg=-1.19) USER MOD Single : A 89 THR OG1 : rot 113:sc= -0.428 USER MOD Single : A 92 TYR OH : rot 165:sc= -0.0124 USER MOD Single : A 95 LYS NZ :NH3+ -143:sc= -0.29 (180deg=-1.3) USER MOD Single : A 99 MET CE :methyl -113:sc= -0.173 (180deg=-0.753) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 156:sc= -2.82 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.0432 F(o=-1.6!,f=-0.043) USER MOD Single : A 113 THR OG1 : rot -45:sc= 0.708 USER MOD Single : A 114 GLN : amide:sc= -2.11 K(o=-2.1,f=-3.3!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N HIS A 2 -7.070 6.192 2.020 1.00 0.00 N ATOM 31 CA HIS A 2 -6.361 6.448 0.729 1.00 0.00 C ATOM 32 C HIS A 2 -5.553 5.220 0.316 1.00 0.00 C ATOM 33 O HIS A 2 -4.516 5.326 -0.312 1.00 0.00 O ATOM 34 CB HIS A 2 -5.436 7.638 1.000 1.00 0.00 C ATOM 35 CG HIS A 2 -6.252 8.834 1.413 1.00 0.00 C ATOM 36 ND1 HIS A 2 -6.466 9.160 2.743 1.00 0.00 N ATOM 37 CD2 HIS A 2 -6.910 9.792 0.682 1.00 0.00 C ATOM 38 CE1 HIS A 2 -7.224 10.271 2.772 1.00 0.00 C ATOM 39 NE2 HIS A 2 -7.523 10.698 1.542 1.00 0.00 N ATOM 0 HA HIS A 2 -7.056 6.657 -0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -4.723 7.385 1.784 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -4.858 7.872 0.106 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -6.946 9.836 -0.397 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -7.551 10.758 3.679 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -8.081 11.513 1.288 1.00 0.00 H new ATOM 47 N VAL A 3 -6.029 4.058 0.666 1.00 0.00 N ATOM 48 CA VAL A 3 -5.307 2.801 0.302 1.00 0.00 C ATOM 49 C VAL A 3 -6.310 1.656 0.107 1.00 0.00 C ATOM 50 O VAL A 3 -7.242 1.501 0.874 1.00 0.00 O ATOM 51 CB VAL A 3 -4.379 2.517 1.492 1.00 0.00 C ATOM 52 CG1 VAL A 3 -3.618 1.208 1.261 1.00 0.00 C ATOM 53 CG2 VAL A 3 -3.375 3.663 1.644 1.00 0.00 C ATOM 0 H VAL A 3 -6.892 3.921 1.192 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.750 2.895 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.980 2.431 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.962 1.014 2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.328 0.388 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.021 1.289 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.717 3.460 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.781 3.750 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.911 4.596 1.817 1.00 0.00 H new ATOM 63 N ALA A 4 -6.116 0.851 -0.907 1.00 0.00 N ATOM 64 CA ALA A 4 -7.045 -0.294 -1.153 1.00 0.00 C ATOM 65 C ALA A 4 -6.284 -1.615 -1.037 1.00 0.00 C ATOM 66 O ALA A 4 -5.259 -1.805 -1.665 1.00 0.00 O ATOM 67 CB ALA A 4 -7.560 -0.100 -2.575 1.00 0.00 C ATOM 0 H ALA A 4 -5.352 0.938 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.861 -0.324 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -8.250 -0.906 -2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.078 0.856 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.721 -0.111 -3.271 1.00 0.00 H new ATOM 73 N GLN A 5 -6.774 -2.522 -0.232 1.00 0.00 N ATOM 74 CA GLN A 5 -6.073 -3.834 -0.060 1.00 0.00 C ATOM 75 C GLN A 5 -7.070 -5.009 0.017 1.00 0.00 C ATOM 76 O GLN A 5 -8.010 -4.959 0.786 1.00 0.00 O ATOM 77 CB GLN A 5 -5.333 -3.702 1.272 1.00 0.00 C ATOM 78 CG GLN A 5 -4.078 -2.850 1.085 1.00 0.00 C ATOM 79 CD GLN A 5 -2.903 -3.761 0.732 1.00 0.00 C ATOM 80 OE1 GLN A 5 -2.565 -3.915 -0.518 1.00 0.00 O flip ATOM 81 NE2 GLN A 5 -2.291 -4.347 1.602 1.00 0.00 N flip ATOM 0 H GLN A 5 -7.628 -2.413 0.314 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.414 -4.044 -0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.985 -3.246 2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.061 -4.689 1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.236 -2.117 0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.862 -2.294 1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.555 -4.227 2.580 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.513 -4.959 1.355 1.00 0.00 H new ATOM 90 N PRO A 6 -6.818 -6.057 -0.750 1.00 0.00 N ATOM 91 CA PRO A 6 -7.699 -7.253 -0.703 1.00 0.00 C ATOM 92 C PRO A 6 -7.443 -8.022 0.591 1.00 0.00 C ATOM 93 O PRO A 6 -6.316 -8.158 1.023 1.00 0.00 O ATOM 94 CB PRO A 6 -7.269 -8.071 -1.917 1.00 0.00 C ATOM 95 CG PRO A 6 -5.861 -7.651 -2.191 1.00 0.00 C ATOM 96 CD PRO A 6 -5.719 -6.229 -1.717 1.00 0.00 C ATOM 0 HA PRO A 6 -8.762 -7.013 -0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.329 -9.140 -1.713 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.913 -7.873 -2.774 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.158 -8.302 -1.671 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -5.638 -7.726 -3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.748 -6.060 -1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.802 -5.524 -2.544 1.00 0.00 H new ATOM 104 N ALA A 7 -8.474 -8.525 1.213 1.00 0.00 N ATOM 105 CA ALA A 7 -8.274 -9.288 2.479 1.00 0.00 C ATOM 106 C ALA A 7 -7.566 -10.600 2.181 1.00 0.00 C ATOM 107 O ALA A 7 -6.776 -11.073 2.979 1.00 0.00 O ATOM 108 CB ALA A 7 -9.676 -9.533 3.040 1.00 0.00 C ATOM 0 H ALA A 7 -9.442 -8.442 0.902 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.656 -8.747 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.602 -10.091 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.165 -8.577 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.261 -10.106 2.320 1.00 0.00 H new ATOM 114 N VAL A 8 -7.827 -11.193 1.041 1.00 0.00 N ATOM 115 CA VAL A 8 -7.146 -12.462 0.719 1.00 0.00 C ATOM 116 C VAL A 8 -6.971 -12.639 -0.782 1.00 0.00 C ATOM 117 O VAL A 8 -7.717 -12.113 -1.586 1.00 0.00 O ATOM 118 CB VAL A 8 -8.028 -13.569 1.322 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.257 -13.941 0.459 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.183 -14.809 1.500 1.00 0.00 C ATOM 0 H VAL A 8 -8.477 -10.849 0.334 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.138 -12.488 1.132 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.412 -13.182 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.825 -14.728 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.890 -13.063 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.923 -14.294 -0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.792 -15.606 1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.796 -15.127 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.351 -14.589 2.169 1.00 0.00 H new ATOM 130 N VAL A 9 -6.005 -13.416 -1.138 1.00 0.00 N ATOM 131 CA VAL A 9 -5.752 -13.710 -2.564 1.00 0.00 C ATOM 132 C VAL A 9 -5.555 -15.217 -2.738 1.00 0.00 C ATOM 133 O VAL A 9 -5.057 -15.893 -1.859 1.00 0.00 O ATOM 134 CB VAL A 9 -4.502 -12.901 -2.914 1.00 0.00 C ATOM 135 CG1 VAL A 9 -3.809 -13.445 -4.171 1.00 0.00 C ATOM 136 CG2 VAL A 9 -4.923 -11.460 -3.177 1.00 0.00 C ATOM 0 H VAL A 9 -5.364 -13.871 -0.488 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.575 -13.437 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.801 -12.969 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.925 -12.845 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.512 -14.480 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.497 -13.397 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.045 -10.865 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.630 -11.433 -4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.395 -11.050 -2.284 1.00 0.00 H new ATOM 146 N LEU A 10 -5.945 -15.737 -3.866 1.00 0.00 N ATOM 147 CA LEU A 10 -5.786 -17.199 -4.111 1.00 0.00 C ATOM 148 C LEU A 10 -4.615 -17.437 -5.065 1.00 0.00 C ATOM 149 O LEU A 10 -4.540 -16.848 -6.127 1.00 0.00 O ATOM 150 CB LEU A 10 -7.108 -17.649 -4.739 1.00 0.00 C ATOM 151 CG LEU A 10 -8.266 -17.363 -3.773 1.00 0.00 C ATOM 152 CD1 LEU A 10 -9.592 -17.724 -4.448 1.00 0.00 C ATOM 153 CD2 LEU A 10 -8.097 -18.193 -2.490 1.00 0.00 C ATOM 0 H LEU A 10 -6.368 -15.213 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.572 -17.756 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.270 -17.126 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.068 -18.714 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.264 -16.304 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.416 -17.522 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.715 -17.126 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.590 -18.782 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.923 -17.984 -1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.093 -19.254 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.155 -17.930 -2.008 1.00 0.00 H new ATOM 165 N ALA A 11 -3.695 -18.286 -4.685 1.00 0.00 N ATOM 166 CA ALA A 11 -2.516 -18.562 -5.558 1.00 0.00 C ATOM 167 C ALA A 11 -2.778 -19.784 -6.440 1.00 0.00 C ATOM 168 O ALA A 11 -3.795 -20.441 -6.320 1.00 0.00 O ATOM 169 CB ALA A 11 -1.364 -18.833 -4.589 1.00 0.00 C ATOM 0 H ALA A 11 -3.710 -18.801 -3.805 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.298 -17.733 -6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.456 -19.046 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.204 -17.957 -3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.610 -19.690 -3.962 1.00 0.00 H new ATOM 175 N SER A 12 -1.867 -20.086 -7.327 1.00 0.00 N ATOM 176 CA SER A 12 -2.049 -21.263 -8.229 1.00 0.00 C ATOM 177 C SER A 12 -1.071 -22.378 -7.848 1.00 0.00 C ATOM 178 O SER A 12 -0.230 -22.208 -6.985 1.00 0.00 O ATOM 179 CB SER A 12 -1.749 -20.738 -9.631 1.00 0.00 C ATOM 180 OG SER A 12 -1.987 -21.770 -10.580 1.00 0.00 O ATOM 0 H SER A 12 -1.001 -19.566 -7.467 1.00 0.00 H new ATOM 0 HA SER A 12 -3.051 -21.686 -8.160 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.377 -19.874 -9.851 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.714 -20.403 -9.693 1.00 0.00 H new ATOM 0 HG SER A 12 -1.797 -21.436 -11.481 1.00 0.00 H new ATOM 186 N SER A 13 -1.167 -23.512 -8.497 1.00 0.00 N ATOM 187 CA SER A 13 -0.245 -24.648 -8.177 1.00 0.00 C ATOM 188 C SER A 13 1.207 -24.222 -8.424 1.00 0.00 C ATOM 189 O SER A 13 2.104 -24.591 -7.688 1.00 0.00 O ATOM 190 CB SER A 13 -0.642 -25.773 -9.136 1.00 0.00 C ATOM 191 OG SER A 13 0.127 -26.932 -8.843 1.00 0.00 O ATOM 0 H SER A 13 -1.845 -23.701 -9.236 1.00 0.00 H new ATOM 0 HA SER A 13 -0.320 -24.961 -7.136 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.705 -25.993 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.475 -25.463 -10.168 1.00 0.00 H new ATOM 0 HG SER A 13 -0.126 -27.655 -9.454 1.00 0.00 H new ATOM 197 N ARG A 14 1.437 -23.448 -9.452 1.00 0.00 N ATOM 198 CA ARG A 14 2.826 -22.980 -9.754 1.00 0.00 C ATOM 199 C ARG A 14 3.385 -22.182 -8.576 1.00 0.00 C ATOM 200 O ARG A 14 4.578 -22.158 -8.340 1.00 0.00 O ATOM 201 CB ARG A 14 2.692 -22.084 -10.986 1.00 0.00 C ATOM 202 CG ARG A 14 2.381 -22.941 -12.213 1.00 0.00 C ATOM 203 CD ARG A 14 3.692 -23.405 -12.850 1.00 0.00 C ATOM 204 NE ARG A 14 3.281 -24.142 -14.083 1.00 0.00 N ATOM 205 CZ ARG A 14 2.954 -23.505 -15.191 1.00 0.00 C ATOM 206 NH1 ARG A 14 2.949 -22.193 -15.256 1.00 0.00 N ATOM 207 NH2 ARG A 14 2.619 -24.196 -16.246 1.00 0.00 N ATOM 0 H ARG A 14 0.721 -23.118 -10.099 1.00 0.00 H new ATOM 0 HA ARG A 14 3.507 -23.813 -9.929 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.899 -21.352 -10.831 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.615 -21.526 -11.144 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.778 -23.802 -11.926 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.796 -22.368 -12.933 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.335 -22.559 -13.092 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.254 -24.049 -12.173 1.00 0.00 H new ATOM 0 HE ARG A 14 3.253 -25.161 -14.068 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.202 -21.641 -14.437 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.692 -21.726 -16.126 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.612 -25.215 -16.207 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.364 -23.717 -17.110 1.00 0.00 H new ATOM 221 N GLY A 15 2.527 -21.520 -7.846 1.00 0.00 N ATOM 222 CA GLY A 15 2.993 -20.709 -6.684 1.00 0.00 C ATOM 223 C GLY A 15 3.133 -19.246 -7.110 1.00 0.00 C ATOM 224 O GLY A 15 3.914 -18.501 -6.548 1.00 0.00 O ATOM 0 H GLY A 15 1.520 -21.506 -8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.285 -20.793 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.949 -21.087 -6.322 1.00 0.00 H new ATOM 228 N ILE A 16 2.376 -18.829 -8.096 1.00 0.00 N ATOM 229 CA ILE A 16 2.452 -17.416 -8.558 1.00 0.00 C ATOM 230 C ILE A 16 1.242 -16.653 -8.004 1.00 0.00 C ATOM 231 O ILE A 16 0.153 -16.725 -8.544 1.00 0.00 O ATOM 232 CB ILE A 16 2.421 -17.479 -10.111 1.00 0.00 C ATOM 233 CG1 ILE A 16 3.799 -17.863 -10.697 1.00 0.00 C ATOM 234 CG2 ILE A 16 2.045 -16.100 -10.687 1.00 0.00 C ATOM 235 CD1 ILE A 16 4.403 -19.091 -10.004 1.00 0.00 C ATOM 0 H ILE A 16 1.708 -19.412 -8.600 1.00 0.00 H new ATOM 0 HA ILE A 16 3.350 -16.902 -8.216 1.00 0.00 H new ATOM 0 HB ILE A 16 1.685 -18.236 -10.382 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.695 -18.064 -11.763 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.482 -17.019 -10.597 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.026 -16.153 -11.776 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.061 -15.809 -10.320 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.782 -15.361 -10.373 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.370 -19.322 -10.450 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.534 -18.882 -8.942 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.735 -19.943 -10.126 1.00 0.00 H new ATOM 247 N ALA A 17 1.437 -15.911 -6.953 1.00 0.00 N ATOM 248 CA ALA A 17 0.314 -15.117 -6.376 1.00 0.00 C ATOM 249 C ALA A 17 0.629 -13.633 -6.515 1.00 0.00 C ATOM 250 O ALA A 17 1.605 -13.146 -5.974 1.00 0.00 O ATOM 251 CB ALA A 17 0.240 -15.504 -4.902 1.00 0.00 C ATOM 0 H ALA A 17 2.328 -15.818 -6.465 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.631 -15.312 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.568 -14.953 -4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.051 -16.574 -4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.184 -15.262 -4.414 1.00 0.00 H new ATOM 257 N SER A 18 -0.184 -12.913 -7.236 1.00 0.00 N ATOM 258 CA SER A 18 0.074 -11.455 -7.411 1.00 0.00 C ATOM 259 C SER A 18 -1.189 -10.641 -7.138 1.00 0.00 C ATOM 260 O SER A 18 -2.258 -10.936 -7.638 1.00 0.00 O ATOM 261 CB SER A 18 0.522 -11.275 -8.864 1.00 0.00 C ATOM 262 OG SER A 18 0.800 -9.900 -9.095 1.00 0.00 O ATOM 0 H SER A 18 -1.014 -13.269 -7.711 1.00 0.00 H new ATOM 0 HA SER A 18 0.832 -11.104 -6.711 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.409 -11.877 -9.062 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.257 -11.621 -9.544 1.00 0.00 H new ATOM 0 HG SER A 18 -0.017 -9.375 -8.966 1.00 0.00 H new ATOM 268 N PHE A 19 -1.055 -9.607 -6.360 1.00 0.00 N ATOM 269 CA PHE A 19 -2.217 -8.726 -6.045 1.00 0.00 C ATOM 270 C PHE A 19 -1.809 -7.271 -6.240 1.00 0.00 C ATOM 271 O PHE A 19 -0.636 -6.962 -6.341 1.00 0.00 O ATOM 272 CB PHE A 19 -2.588 -9.015 -4.587 1.00 0.00 C ATOM 273 CG PHE A 19 -1.392 -8.812 -3.684 1.00 0.00 C ATOM 274 CD1 PHE A 19 -0.450 -9.863 -3.519 1.00 0.00 C ATOM 275 CD2 PHE A 19 -1.214 -7.583 -2.993 1.00 0.00 C ATOM 276 CE1 PHE A 19 0.670 -9.687 -2.665 1.00 0.00 C ATOM 277 CE2 PHE A 19 -0.091 -7.406 -2.138 1.00 0.00 C ATOM 278 CZ PHE A 19 0.850 -8.460 -1.974 1.00 0.00 C ATOM 0 H PHE A 19 -0.177 -9.328 -5.921 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.071 -8.913 -6.696 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.401 -8.359 -4.276 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.951 -10.039 -4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.586 -10.797 -4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.930 -6.784 -3.117 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.385 -10.487 -2.541 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.047 -6.472 -1.614 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.702 -8.327 -1.324 1.00 0.00 H new ATOM 288 N VAL A 20 -2.761 -6.380 -6.325 1.00 0.00 N ATOM 289 CA VAL A 20 -2.408 -4.947 -6.552 1.00 0.00 C ATOM 290 C VAL A 20 -2.873 -4.060 -5.395 1.00 0.00 C ATOM 291 O VAL A 20 -4.045 -3.996 -5.077 1.00 0.00 O ATOM 292 CB VAL A 20 -3.119 -4.560 -7.853 1.00 0.00 C ATOM 293 CG1 VAL A 20 -2.817 -3.097 -8.195 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.628 -5.450 -8.999 1.00 0.00 C ATOM 0 H VAL A 20 -3.758 -6.579 -6.248 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.329 -4.810 -6.615 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.193 -4.692 -7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.325 -2.827 -9.121 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.169 -2.455 -7.388 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.742 -2.967 -8.320 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.137 -5.170 -9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.553 -5.321 -9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.844 -6.493 -8.768 1.00 0.00 H new ATOM 304 N CYS A 21 -1.953 -3.353 -4.789 1.00 0.00 N ATOM 305 CA CYS A 21 -2.319 -2.432 -3.676 1.00 0.00 C ATOM 306 C CYS A 21 -2.365 -1.004 -4.215 1.00 0.00 C ATOM 307 O CYS A 21 -1.347 -0.412 -4.518 1.00 0.00 O ATOM 308 CB CYS A 21 -1.200 -2.582 -2.647 1.00 0.00 C ATOM 309 SG CYS A 21 -1.594 -1.593 -1.182 1.00 0.00 S ATOM 0 H CYS A 21 -0.960 -3.376 -5.020 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.292 -2.657 -3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.083 -3.630 -2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.252 -2.257 -3.075 1.00 0.00 H new ATOM 314 N GLU A 22 -3.536 -0.450 -4.345 1.00 0.00 N ATOM 315 CA GLU A 22 -3.653 0.934 -4.884 1.00 0.00 C ATOM 316 C GLU A 22 -3.483 1.966 -3.767 1.00 0.00 C ATOM 317 O GLU A 22 -3.945 1.785 -2.657 1.00 0.00 O ATOM 318 CB GLU A 22 -5.045 0.973 -5.518 1.00 0.00 C ATOM 319 CG GLU A 22 -5.403 2.396 -5.959 1.00 0.00 C ATOM 320 CD GLU A 22 -6.585 2.348 -6.928 1.00 0.00 C ATOM 321 OE1 GLU A 22 -6.450 1.720 -7.965 1.00 0.00 O ATOM 322 OE2 GLU A 22 -7.606 2.940 -6.616 1.00 0.00 O ATOM 0 H GLU A 22 -4.420 -0.896 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.880 1.180 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.077 0.303 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.785 0.612 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.656 3.004 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.545 2.866 -6.439 1.00 0.00 H new ATOM 329 N TYR A 23 -2.808 3.047 -4.068 1.00 0.00 N ATOM 330 CA TYR A 23 -2.579 4.102 -3.059 1.00 0.00 C ATOM 331 C TYR A 23 -3.070 5.445 -3.609 1.00 0.00 C ATOM 332 O TYR A 23 -3.529 5.537 -4.732 1.00 0.00 O ATOM 333 CB TYR A 23 -1.056 4.100 -2.828 1.00 0.00 C ATOM 334 CG TYR A 23 -0.320 4.582 -4.061 1.00 0.00 C ATOM 335 CD1 TYR A 23 -0.100 5.974 -4.264 1.00 0.00 C ATOM 336 CD2 TYR A 23 0.152 3.642 -5.015 1.00 0.00 C ATOM 337 CE1 TYR A 23 0.592 6.421 -5.418 1.00 0.00 C ATOM 338 CE2 TYR A 23 0.844 4.091 -6.172 1.00 0.00 C ATOM 339 CZ TYR A 23 1.065 5.481 -6.373 1.00 0.00 C ATOM 340 OH TYR A 23 1.737 5.918 -7.497 1.00 0.00 O ATOM 0 H TYR A 23 -2.404 3.237 -4.985 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.116 3.933 -2.126 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.812 4.741 -1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.725 3.094 -2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -0.460 6.689 -3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.015 2.586 -4.861 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.760 7.477 -5.571 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.202 3.377 -6.899 1.00 0.00 H new ATOM 0 HH TYR A 23 1.245 5.645 -8.299 1.00 0.00 H new ATOM 350 N ALA A 24 -2.972 6.476 -2.825 1.00 0.00 N ATOM 351 CA ALA A 24 -3.427 7.822 -3.283 1.00 0.00 C ATOM 352 C ALA A 24 -2.375 8.883 -2.950 1.00 0.00 C ATOM 353 O ALA A 24 -1.989 9.048 -1.808 1.00 0.00 O ATOM 354 CB ALA A 24 -4.719 8.088 -2.509 1.00 0.00 C ATOM 0 H ALA A 24 -2.594 6.449 -1.878 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.581 7.858 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.118 9.063 -2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.450 7.315 -2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.511 8.077 -1.439 1.00 0.00 H new ATOM 360 N SER A 25 -1.918 9.606 -3.939 1.00 0.00 N ATOM 361 CA SER A 25 -0.897 10.665 -3.691 1.00 0.00 C ATOM 362 C SER A 25 -1.483 12.050 -4.030 1.00 0.00 C ATOM 363 O SER A 25 -2.101 12.211 -5.064 1.00 0.00 O ATOM 364 CB SER A 25 0.264 10.315 -4.619 1.00 0.00 C ATOM 365 OG SER A 25 0.932 9.166 -4.116 1.00 0.00 O ATOM 0 H SER A 25 -2.210 9.508 -4.911 1.00 0.00 H new ATOM 0 HA SER A 25 -0.578 10.708 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.105 10.124 -5.627 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.957 11.153 -4.686 1.00 0.00 H new ATOM 0 HG SER A 25 0.353 8.382 -4.214 1.00 0.00 H new ATOM 371 N PRO A 26 -1.299 13.008 -3.142 1.00 0.00 N ATOM 372 CA PRO A 26 -1.849 14.372 -3.378 1.00 0.00 C ATOM 373 C PRO A 26 -1.122 15.100 -4.515 1.00 0.00 C ATOM 374 O PRO A 26 -1.576 16.132 -4.976 1.00 0.00 O ATOM 375 CB PRO A 26 -1.627 15.086 -2.047 1.00 0.00 C ATOM 376 CG PRO A 26 -0.484 14.366 -1.410 1.00 0.00 C ATOM 377 CD PRO A 26 -0.566 12.935 -1.865 1.00 0.00 C ATOM 0 HA PRO A 26 -2.895 14.344 -3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.395 16.140 -2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.519 15.043 -1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.466 14.812 -1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.543 14.430 -0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.425 12.501 -1.998 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.091 12.315 -1.138 1.00 0.00 H new ATOM 385 N GLY A 27 0.001 14.593 -4.968 1.00 0.00 N ATOM 386 CA GLY A 27 0.738 15.286 -6.069 1.00 0.00 C ATOM 387 C GLY A 27 1.589 14.285 -6.852 1.00 0.00 C ATOM 388 O GLY A 27 1.567 13.097 -6.594 1.00 0.00 O ATOM 0 H GLY A 27 0.435 13.736 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.030 15.774 -6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.374 16.068 -5.654 1.00 0.00 H new ATOM 392 N LYS A 28 2.338 14.767 -7.813 1.00 0.00 N ATOM 393 CA LYS A 28 3.198 13.862 -8.632 1.00 0.00 C ATOM 394 C LYS A 28 4.665 14.005 -8.216 1.00 0.00 C ATOM 395 O LYS A 28 5.158 15.099 -8.017 1.00 0.00 O ATOM 396 CB LYS A 28 3.010 14.335 -10.075 1.00 0.00 C ATOM 397 CG LYS A 28 1.556 14.126 -10.503 1.00 0.00 C ATOM 398 CD LYS A 28 1.384 14.579 -11.955 1.00 0.00 C ATOM 399 CE LYS A 28 -0.088 14.466 -12.358 1.00 0.00 C ATOM 400 NZ LYS A 28 -0.150 15.020 -13.740 1.00 0.00 N ATOM 0 H LYS A 28 2.390 15.754 -8.065 1.00 0.00 H new ATOM 0 HA LYS A 28 2.929 12.814 -8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.276 15.389 -10.160 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.677 13.784 -10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.283 13.075 -10.403 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.889 14.691 -9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.724 15.608 -12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.000 13.966 -12.613 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.427 13.430 -12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.728 15.028 -11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.129 14.977 -14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.172 16.009 -13.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.464 14.461 -14.366 1.00 0.00 H new ATOM 414 N ALA A 29 5.362 12.905 -8.089 1.00 0.00 N ATOM 415 CA ALA A 29 6.801 12.962 -7.690 1.00 0.00 C ATOM 416 C ALA A 29 7.526 11.703 -8.171 1.00 0.00 C ATOM 417 O ALA A 29 6.903 10.718 -8.513 1.00 0.00 O ATOM 418 CB ALA A 29 6.786 13.022 -6.163 1.00 0.00 C ATOM 0 H ALA A 29 4.995 11.966 -8.245 1.00 0.00 H new ATOM 0 HA ALA A 29 7.320 13.816 -8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.809 13.066 -5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.243 13.910 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.294 12.133 -5.769 1.00 0.00 H new ATOM 424 N THR A 30 8.836 11.727 -8.194 1.00 0.00 N ATOM 425 CA THR A 30 9.603 10.524 -8.651 1.00 0.00 C ATOM 426 C THR A 30 9.836 9.557 -7.514 1.00 0.00 C ATOM 427 O THR A 30 10.690 8.698 -7.623 1.00 0.00 O ATOM 428 CB THR A 30 10.980 11.022 -9.068 1.00 0.00 C ATOM 429 OG1 THR A 30 11.635 11.592 -7.944 1.00 0.00 O ATOM 430 CG2 THR A 30 10.875 12.051 -10.161 1.00 0.00 C ATOM 0 H THR A 30 9.407 12.525 -7.917 1.00 0.00 H new ATOM 0 HA THR A 30 9.048 10.027 -9.447 1.00 0.00 H new ATOM 0 HB THR A 30 11.553 10.175 -9.447 1.00 0.00 H new ATOM 0 HG1 THR A 30 12.522 11.912 -8.210 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.873 12.389 -10.439 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.386 11.610 -11.030 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.290 12.900 -9.807 1.00 0.00 H new ATOM 438 N GLU A 31 9.181 9.716 -6.397 1.00 0.00 N ATOM 439 CA GLU A 31 9.495 8.806 -5.271 1.00 0.00 C ATOM 440 C GLU A 31 8.248 8.305 -4.533 1.00 0.00 C ATOM 441 O GLU A 31 7.757 8.945 -3.621 1.00 0.00 O ATOM 442 CB GLU A 31 10.329 9.669 -4.321 1.00 0.00 C ATOM 443 CG GLU A 31 11.686 10.065 -4.940 1.00 0.00 C ATOM 444 CD GLU A 31 12.744 9.001 -4.620 1.00 0.00 C ATOM 445 OE1 GLU A 31 12.531 8.231 -3.696 1.00 0.00 O ATOM 446 OE2 GLU A 31 13.761 8.987 -5.291 1.00 0.00 O ATOM 0 H GLU A 31 8.462 10.418 -6.221 1.00 0.00 H new ATOM 0 HA GLU A 31 10.001 7.910 -5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.771 10.570 -4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.499 9.125 -3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.584 10.174 -6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.003 11.033 -4.551 1.00 0.00 H new ATOM 453 N VAL A 32 7.794 7.129 -4.863 1.00 0.00 N ATOM 454 CA VAL A 32 6.647 6.521 -4.129 1.00 0.00 C ATOM 455 C VAL A 32 7.163 5.186 -3.591 1.00 0.00 C ATOM 456 O VAL A 32 6.961 4.135 -4.166 1.00 0.00 O ATOM 457 CB VAL A 32 5.501 6.361 -5.142 1.00 0.00 C ATOM 458 CG1 VAL A 32 4.416 5.443 -4.561 1.00 0.00 C ATOM 459 CG2 VAL A 32 4.894 7.738 -5.418 1.00 0.00 C ATOM 0 H VAL A 32 8.172 6.556 -5.618 1.00 0.00 H new ATOM 0 HA VAL A 32 6.270 7.115 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 32 5.886 5.924 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.607 5.334 -5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.845 4.464 -4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.025 5.879 -3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.079 7.639 -6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.510 8.159 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.659 8.398 -5.827 1.00 0.00 H new ATOM 469 N ARG A 33 7.885 5.257 -2.510 1.00 0.00 N ATOM 470 CA ARG A 33 8.510 4.037 -1.917 1.00 0.00 C ATOM 471 C ARG A 33 7.475 2.980 -1.546 1.00 0.00 C ATOM 472 O ARG A 33 6.496 3.259 -0.878 1.00 0.00 O ATOM 473 CB ARG A 33 9.222 4.540 -0.655 1.00 0.00 C ATOM 474 CG ARG A 33 10.042 3.402 -0.029 1.00 0.00 C ATOM 475 CD ARG A 33 11.490 3.856 0.181 1.00 0.00 C ATOM 476 NE ARG A 33 12.207 2.642 0.677 1.00 0.00 N ATOM 477 CZ ARG A 33 12.132 2.262 1.938 1.00 0.00 C ATOM 478 NH1 ARG A 33 11.401 2.915 2.813 1.00 0.00 N ATOM 479 NH2 ARG A 33 12.794 1.206 2.325 1.00 0.00 N ATOM 0 H ARG A 33 8.073 6.121 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 33 9.183 3.557 -2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.875 5.376 -0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.490 4.910 0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.602 3.107 0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.017 2.525 -0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.928 4.221 -0.748 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.548 4.671 0.903 1.00 0.00 H new ATOM 0 HE ARG A 33 12.768 2.094 0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.873 3.738 2.523 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.361 2.599 3.782 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.361 0.685 1.655 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.745 0.901 3.297 1.00 0.00 H new ATOM 493 N VAL A 34 7.715 1.755 -1.945 1.00 0.00 N ATOM 494 CA VAL A 34 6.790 0.657 -1.590 1.00 0.00 C ATOM 495 C VAL A 34 7.590 -0.499 -0.986 1.00 0.00 C ATOM 496 O VAL A 34 8.800 -0.559 -1.108 1.00 0.00 O ATOM 497 CB VAL A 34 6.097 0.227 -2.887 1.00 0.00 C ATOM 498 CG1 VAL A 34 5.337 1.416 -3.484 1.00 0.00 C ATOM 499 CG2 VAL A 34 7.125 -0.295 -3.905 1.00 0.00 C ATOM 0 H VAL A 34 8.520 1.476 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 34 6.049 0.970 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 34 5.397 -0.577 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.845 1.107 -4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.588 1.764 -2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.036 2.224 -3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.612 -0.595 -4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.843 0.493 -4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.650 -1.153 -3.485 1.00 0.00 H new ATOM 509 N THR A 35 6.924 -1.404 -0.332 1.00 0.00 N ATOM 510 CA THR A 35 7.632 -2.559 0.297 1.00 0.00 C ATOM 511 C THR A 35 6.649 -3.698 0.557 1.00 0.00 C ATOM 512 O THR A 35 5.455 -3.488 0.661 1.00 0.00 O ATOM 513 CB THR A 35 8.186 -2.014 1.619 1.00 0.00 C ATOM 514 OG1 THR A 35 9.040 -0.911 1.352 1.00 0.00 O ATOM 515 CG2 THR A 35 8.976 -3.107 2.347 1.00 0.00 C ATOM 0 H THR A 35 5.912 -1.397 -0.203 1.00 0.00 H new ATOM 0 HA THR A 35 8.421 -2.958 -0.340 1.00 0.00 H new ATOM 0 HB THR A 35 7.357 -1.694 2.250 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.430 -1.008 0.458 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.366 -2.711 3.285 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.320 -3.953 2.555 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.805 -3.436 1.720 1.00 0.00 H new ATOM 523 N VAL A 36 7.147 -4.897 0.679 1.00 0.00 N ATOM 524 CA VAL A 36 6.256 -6.058 0.953 1.00 0.00 C ATOM 525 C VAL A 36 6.712 -6.730 2.251 1.00 0.00 C ATOM 526 O VAL A 36 7.894 -6.926 2.451 1.00 0.00 O ATOM 527 CB VAL A 36 6.436 -6.991 -0.250 1.00 0.00 C ATOM 528 CG1 VAL A 36 5.591 -8.253 -0.058 1.00 0.00 C ATOM 529 CG2 VAL A 36 5.988 -6.267 -1.527 1.00 0.00 C ATOM 0 H VAL A 36 8.138 -5.123 0.600 1.00 0.00 H new ATOM 0 HA VAL A 36 5.209 -5.781 1.078 1.00 0.00 H new ATOM 0 HB VAL A 36 7.486 -7.271 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.722 -8.913 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.908 -8.769 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.540 -7.977 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.115 -6.929 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.938 -5.987 -1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.592 -5.371 -1.668 1.00 0.00 H new ATOM 539 N LEU A 37 5.807 -7.060 3.152 1.00 0.00 N ATOM 540 CA LEU A 37 6.259 -7.698 4.428 1.00 0.00 C ATOM 541 C LEU A 37 5.466 -8.963 4.732 1.00 0.00 C ATOM 542 O LEU A 37 4.396 -9.183 4.207 1.00 0.00 O ATOM 543 CB LEU A 37 5.971 -6.673 5.529 1.00 0.00 C ATOM 544 CG LEU A 37 6.741 -5.377 5.284 1.00 0.00 C ATOM 545 CD1 LEU A 37 5.941 -4.203 5.864 1.00 0.00 C ATOM 546 CD2 LEU A 37 8.110 -5.461 5.976 1.00 0.00 C ATOM 0 H LEU A 37 4.801 -6.918 3.059 1.00 0.00 H new ATOM 0 HA LEU A 37 7.311 -7.974 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.902 -6.464 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.248 -7.087 6.498 1.00 0.00 H new ATOM 0 HG LEU A 37 6.886 -5.227 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.484 -3.273 5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.968 -4.150 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.802 -4.351 6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.662 -4.537 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.968 -5.604 7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.672 -6.302 5.569 1.00 0.00 H new ATOM 558 N ARG A 38 5.978 -9.763 5.624 1.00 0.00 N ATOM 559 CA ARG A 38 5.257 -10.999 6.046 1.00 0.00 C ATOM 560 C ARG A 38 5.076 -10.946 7.559 1.00 0.00 C ATOM 561 O ARG A 38 6.043 -10.867 8.297 1.00 0.00 O ATOM 562 CB ARG A 38 6.150 -12.175 5.653 1.00 0.00 C ATOM 563 CG ARG A 38 6.146 -12.333 4.133 1.00 0.00 C ATOM 564 CD ARG A 38 6.926 -13.593 3.732 1.00 0.00 C ATOM 565 NE ARG A 38 8.323 -13.379 4.230 1.00 0.00 N ATOM 566 CZ ARG A 38 8.725 -13.821 5.407 1.00 0.00 C ATOM 567 NH1 ARG A 38 7.919 -14.462 6.223 1.00 0.00 N ATOM 568 NH2 ARG A 38 9.960 -13.613 5.773 1.00 0.00 N ATOM 0 H ARG A 38 6.875 -9.613 6.085 1.00 0.00 H new ATOM 0 HA ARG A 38 4.277 -11.096 5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.167 -12.008 6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.793 -13.090 6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.121 -12.399 3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.593 -11.455 3.667 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.484 -14.485 4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.913 -13.735 2.651 1.00 0.00 H new ATOM 0 HE ARG A 38 8.985 -12.875 3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.950 -14.631 5.954 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.262 -14.790 7.126 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.599 -13.115 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.287 -13.948 6.679 1.00 0.00 H new ATOM 582 N GLN A 39 3.856 -10.965 8.032 1.00 0.00 N ATOM 583 CA GLN A 39 3.643 -10.888 9.509 1.00 0.00 C ATOM 584 C GLN A 39 3.228 -12.237 10.085 1.00 0.00 C ATOM 585 O GLN A 39 2.314 -12.884 9.611 1.00 0.00 O ATOM 586 CB GLN A 39 2.543 -9.846 9.709 1.00 0.00 C ATOM 587 CG GLN A 39 3.108 -8.454 9.420 1.00 0.00 C ATOM 588 CD GLN A 39 1.975 -7.425 9.428 1.00 0.00 C ATOM 589 OE1 GLN A 39 0.891 -7.658 8.741 1.00 0.00 O flip ATOM 590 NE2 GLN A 39 2.079 -6.397 10.067 1.00 0.00 N flip ATOM 0 H GLN A 39 3.008 -11.030 7.468 1.00 0.00 H new ATOM 0 HA GLN A 39 4.561 -10.613 10.028 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.703 -10.055 9.046 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.163 -9.892 10.730 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.855 -8.192 10.169 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.610 -8.449 8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.926 -6.214 10.604 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.319 -5.717 10.066 1.00 0.00 H new ATOM 599 N ALA A 40 3.905 -12.649 11.121 1.00 0.00 N ATOM 600 CA ALA A 40 3.586 -13.944 11.779 1.00 0.00 C ATOM 601 C ALA A 40 3.385 -13.702 13.276 1.00 0.00 C ATOM 602 O ALA A 40 3.895 -12.742 13.825 1.00 0.00 O ATOM 603 CB ALA A 40 4.813 -14.828 11.529 1.00 0.00 C ATOM 0 H ALA A 40 4.677 -12.134 11.545 1.00 0.00 H new ATOM 0 HA ALA A 40 2.678 -14.409 11.396 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.656 -15.806 11.985 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.962 -14.948 10.456 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.694 -14.360 11.968 1.00 0.00 H new ATOM 609 N ASP A 41 2.638 -14.547 13.937 1.00 0.00 N ATOM 610 CA ASP A 41 2.404 -14.350 15.401 1.00 0.00 C ATOM 611 C ASP A 41 3.729 -14.370 16.166 1.00 0.00 C ATOM 612 O ASP A 41 3.955 -13.564 17.050 1.00 0.00 O ATOM 613 CB ASP A 41 1.519 -15.513 15.831 1.00 0.00 C ATOM 614 CG ASP A 41 0.102 -15.326 15.279 1.00 0.00 C ATOM 615 OD1 ASP A 41 -0.294 -14.188 15.080 1.00 0.00 O ATOM 616 OD2 ASP A 41 -0.565 -16.325 15.065 1.00 0.00 O ATOM 0 H ASP A 41 2.181 -15.363 13.530 1.00 0.00 H new ATOM 0 HA ASP A 41 1.936 -13.388 15.609 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.938 -16.452 15.470 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.489 -15.575 16.919 1.00 0.00 H new ATOM 621 N SER A 42 4.602 -15.288 15.836 1.00 0.00 N ATOM 622 CA SER A 42 5.915 -15.365 16.549 1.00 0.00 C ATOM 623 C SER A 42 6.797 -14.158 16.207 1.00 0.00 C ATOM 624 O SER A 42 7.333 -13.510 17.087 1.00 0.00 O ATOM 625 CB SER A 42 6.565 -16.656 16.052 1.00 0.00 C ATOM 626 OG SER A 42 5.836 -17.771 16.550 1.00 0.00 O ATOM 0 H SER A 42 4.464 -15.986 15.106 1.00 0.00 H new ATOM 0 HA SER A 42 5.785 -15.359 17.631 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.579 -16.673 14.962 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.602 -16.706 16.385 1.00 0.00 H new ATOM 0 HG SER A 42 6.249 -18.601 16.232 1.00 0.00 H new ATOM 632 N GLN A 43 6.960 -13.855 14.940 1.00 0.00 N ATOM 633 CA GLN A 43 7.821 -12.693 14.546 1.00 0.00 C ATOM 634 C GLN A 43 7.412 -12.136 13.176 1.00 0.00 C ATOM 635 O GLN A 43 6.745 -12.792 12.398 1.00 0.00 O ATOM 636 CB GLN A 43 9.245 -13.254 14.468 1.00 0.00 C ATOM 637 CG GLN A 43 9.778 -13.546 15.872 1.00 0.00 C ATOM 638 CD GLN A 43 11.272 -13.866 15.792 1.00 0.00 C ATOM 639 OE1 GLN A 43 12.095 -13.107 16.264 1.00 0.00 O ATOM 640 NE2 GLN A 43 11.660 -14.967 15.208 1.00 0.00 N ATOM 0 H GLN A 43 6.535 -14.361 14.163 1.00 0.00 H new ATOM 0 HA GLN A 43 7.728 -11.876 15.261 1.00 0.00 H new ATOM 0 HB2 GLN A 43 9.252 -14.167 13.872 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.897 -12.540 13.965 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.613 -12.686 16.522 1.00 0.00 H new ATOM 0 HG3 GLN A 43 9.238 -14.385 16.311 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.970 -15.605 14.812 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.654 -15.190 15.148 1.00 0.00 H new ATOM 649 N VAL A 44 7.838 -10.935 12.873 1.00 0.00 N ATOM 650 CA VAL A 44 7.518 -10.318 11.549 1.00 0.00 C ATOM 651 C VAL A 44 8.827 -9.866 10.888 1.00 0.00 C ATOM 652 O VAL A 44 9.679 -9.281 11.531 1.00 0.00 O ATOM 653 CB VAL A 44 6.628 -9.113 11.865 1.00 0.00 C ATOM 654 CG1 VAL A 44 6.290 -8.356 10.575 1.00 0.00 C ATOM 655 CG2 VAL A 44 5.331 -9.589 12.530 1.00 0.00 C ATOM 0 H VAL A 44 8.399 -10.350 13.492 1.00 0.00 H new ATOM 0 HA VAL A 44 7.018 -11.007 10.868 1.00 0.00 H new ATOM 0 HB VAL A 44 7.163 -8.447 12.542 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.657 -7.501 10.810 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.210 -8.008 10.106 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.763 -9.021 9.891 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.700 -8.729 12.754 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.802 -10.262 11.855 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.568 -10.115 13.455 1.00 0.00 H new ATOM 665 N THR A 45 8.997 -10.141 9.621 1.00 0.00 N ATOM 666 CA THR A 45 10.267 -9.734 8.932 1.00 0.00 C ATOM 667 C THR A 45 9.987 -9.058 7.583 1.00 0.00 C ATOM 668 O THR A 45 8.931 -9.216 7.002 1.00 0.00 O ATOM 669 CB THR A 45 11.040 -11.039 8.719 1.00 0.00 C ATOM 670 OG1 THR A 45 10.276 -11.911 7.897 1.00 0.00 O ATOM 671 CG2 THR A 45 11.311 -11.709 10.068 1.00 0.00 C ATOM 0 H THR A 45 8.319 -10.626 9.033 1.00 0.00 H new ATOM 0 HA THR A 45 10.823 -9.009 9.526 1.00 0.00 H new ATOM 0 HB THR A 45 11.991 -10.820 8.233 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.226 -12.795 8.316 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.861 -12.637 9.910 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.901 -11.040 10.695 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.364 -11.928 10.562 1.00 0.00 H new ATOM 679 N GLU A 46 10.944 -8.311 7.084 1.00 0.00 N ATOM 680 CA GLU A 46 10.771 -7.623 5.769 1.00 0.00 C ATOM 681 C GLU A 46 11.035 -8.588 4.616 1.00 0.00 C ATOM 682 O GLU A 46 11.646 -9.626 4.788 1.00 0.00 O ATOM 683 CB GLU A 46 11.797 -6.488 5.764 1.00 0.00 C ATOM 684 CG GLU A 46 11.351 -5.387 6.730 1.00 0.00 C ATOM 685 CD GLU A 46 12.502 -4.403 6.955 1.00 0.00 C ATOM 686 OE1 GLU A 46 13.274 -4.201 6.032 1.00 0.00 O ATOM 687 OE2 GLU A 46 12.591 -3.867 8.048 1.00 0.00 O ATOM 0 H GLU A 46 11.843 -8.149 7.537 1.00 0.00 H new ATOM 0 HA GLU A 46 9.754 -7.251 5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.776 -6.868 6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.901 -6.082 4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.485 -4.863 6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.043 -5.825 7.679 1.00 0.00 H new ATOM 694 N VAL A 47 10.564 -8.254 3.442 1.00 0.00 N ATOM 695 CA VAL A 47 10.766 -9.147 2.267 1.00 0.00 C ATOM 696 C VAL A 47 11.379 -8.368 1.093 1.00 0.00 C ATOM 697 O VAL A 47 12.502 -8.616 0.701 1.00 0.00 O ATOM 698 CB VAL A 47 9.356 -9.645 1.930 1.00 0.00 C ATOM 699 CG1 VAL A 47 9.377 -10.507 0.671 1.00 0.00 C ATOM 700 CG2 VAL A 47 8.815 -10.475 3.098 1.00 0.00 C ATOM 0 H VAL A 47 10.046 -7.397 3.248 1.00 0.00 H new ATOM 0 HA VAL A 47 11.455 -9.967 2.472 1.00 0.00 H new ATOM 0 HB VAL A 47 8.715 -8.781 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.367 -10.851 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.753 -9.919 -0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.026 -11.368 0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.812 -10.829 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.470 -11.329 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.777 -9.858 3.996 1.00 0.00 H new ATOM 710 N CYS A 48 10.648 -7.443 0.521 1.00 0.00 N ATOM 711 CA CYS A 48 11.194 -6.671 -0.640 1.00 0.00 C ATOM 712 C CYS A 48 10.853 -5.185 -0.543 1.00 0.00 C ATOM 713 O CYS A 48 9.878 -4.799 0.071 1.00 0.00 O ATOM 714 CB CYS A 48 10.530 -7.299 -1.859 1.00 0.00 C ATOM 715 SG CYS A 48 11.249 -8.933 -2.142 1.00 0.00 S ATOM 0 H CYS A 48 9.702 -7.190 0.805 1.00 0.00 H new ATOM 0 HA CYS A 48 12.282 -6.719 -0.681 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.455 -7.383 -1.701 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.675 -6.667 -2.735 1.00 0.00 H new ATOM 720 N ALA A 49 11.661 -4.350 -1.153 1.00 0.00 N ATOM 721 CA ALA A 49 11.403 -2.881 -1.108 1.00 0.00 C ATOM 722 C ALA A 49 12.150 -2.167 -2.243 1.00 0.00 C ATOM 723 O ALA A 49 13.307 -2.438 -2.505 1.00 0.00 O ATOM 724 CB ALA A 49 11.930 -2.431 0.258 1.00 0.00 C ATOM 0 H ALA A 49 12.489 -4.626 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 49 10.347 -2.644 -1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.778 -1.358 0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.394 -2.959 1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.994 -2.656 0.329 1.00 0.00 H new ATOM 730 N ALA A 50 11.494 -1.251 -2.907 1.00 0.00 N ATOM 731 CA ALA A 50 12.146 -0.497 -4.021 1.00 0.00 C ATOM 732 C ALA A 50 11.440 0.851 -4.195 1.00 0.00 C ATOM 733 O ALA A 50 10.246 0.957 -3.980 1.00 0.00 O ATOM 734 CB ALA A 50 11.959 -1.375 -5.264 1.00 0.00 C ATOM 0 H ALA A 50 10.525 -0.990 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 50 13.201 -0.293 -3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.413 -0.886 -6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.436 -2.342 -5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.895 -1.522 -5.449 1.00 0.00 H new ATOM 740 N THR A 51 12.158 1.883 -4.573 1.00 0.00 N ATOM 741 CA THR A 51 11.505 3.216 -4.744 1.00 0.00 C ATOM 742 C THR A 51 10.787 3.280 -6.089 1.00 0.00 C ATOM 743 O THR A 51 11.369 3.025 -7.127 1.00 0.00 O ATOM 744 CB THR A 51 12.636 4.252 -4.705 1.00 0.00 C ATOM 745 OG1 THR A 51 13.572 3.894 -3.698 1.00 0.00 O ATOM 746 CG2 THR A 51 12.051 5.628 -4.383 1.00 0.00 C ATOM 0 H THR A 51 13.159 1.859 -4.768 1.00 0.00 H new ATOM 0 HA THR A 51 10.765 3.400 -3.965 1.00 0.00 H new ATOM 0 HB THR A 51 13.135 4.282 -5.673 1.00 0.00 H new ATOM 0 HG1 THR A 51 14.295 4.555 -3.674 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.852 6.366 -4.355 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.329 5.905 -5.151 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.554 5.594 -3.413 1.00 0.00 H new ATOM 754 N TYR A 52 9.532 3.642 -6.077 1.00 0.00 N ATOM 755 CA TYR A 52 8.768 3.754 -7.347 1.00 0.00 C ATOM 756 C TYR A 52 9.121 5.079 -7.992 1.00 0.00 C ATOM 757 O TYR A 52 8.627 6.116 -7.582 1.00 0.00 O ATOM 758 CB TYR A 52 7.302 3.763 -6.907 1.00 0.00 C ATOM 759 CG TYR A 52 6.334 3.759 -8.085 1.00 0.00 C ATOM 760 CD1 TYR A 52 6.346 4.788 -9.084 1.00 0.00 C ATOM 761 CD2 TYR A 52 5.369 2.721 -8.166 1.00 0.00 C ATOM 762 CE1 TYR A 52 5.402 4.760 -10.144 1.00 0.00 C ATOM 763 CE2 TYR A 52 4.428 2.699 -9.232 1.00 0.00 C ATOM 764 CZ TYR A 52 4.445 3.717 -10.218 1.00 0.00 C ATOM 765 OH TYR A 52 3.528 3.694 -11.249 1.00 0.00 O ATOM 0 H TYR A 52 9.002 3.866 -5.235 1.00 0.00 H new ATOM 0 HA TYR A 52 8.977 2.955 -8.058 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.110 2.892 -6.281 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.117 4.644 -6.293 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.073 5.584 -9.030 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.349 1.945 -7.415 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.413 5.535 -10.896 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.699 1.905 -9.290 1.00 0.00 H new ATOM 0 HH TYR A 52 3.920 4.111 -12.045 1.00 0.00 H new ATOM 775 N MET A 53 9.939 5.069 -9.005 1.00 0.00 N ATOM 776 CA MET A 53 10.266 6.349 -9.676 1.00 0.00 C ATOM 777 C MET A 53 9.334 6.479 -10.876 1.00 0.00 C ATOM 778 O MET A 53 9.172 5.541 -11.635 1.00 0.00 O ATOM 779 CB MET A 53 11.724 6.247 -10.133 1.00 0.00 C ATOM 780 CG MET A 53 12.635 5.978 -8.934 1.00 0.00 C ATOM 781 SD MET A 53 14.062 7.084 -9.014 1.00 0.00 S ATOM 782 CE MET A 53 13.396 8.349 -7.912 1.00 0.00 C ATOM 0 H MET A 53 10.389 4.239 -9.392 1.00 0.00 H new ATOM 0 HA MET A 53 10.143 7.216 -9.027 1.00 0.00 H new ATOM 0 HB2 MET A 53 11.828 5.446 -10.865 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.024 7.171 -10.627 1.00 0.00 H new ATOM 0 HG2 MET A 53 12.089 6.136 -8.004 1.00 0.00 H new ATOM 0 HG3 MET A 53 12.964 4.939 -8.938 1.00 0.00 H new ATOM 0 HE1 MET A 53 14.205 8.992 -7.565 1.00 0.00 H new ATOM 0 HE2 MET A 53 12.661 8.949 -8.449 1.00 0.00 H new ATOM 0 HE3 MET A 53 12.919 7.871 -7.056 1.00 0.00 H new ATOM 792 N MET A 54 8.692 7.600 -11.043 1.00 0.00 N ATOM 793 CA MET A 54 7.750 7.745 -12.192 1.00 0.00 C ATOM 794 C MET A 54 8.484 7.548 -13.524 1.00 0.00 C ATOM 795 O MET A 54 7.938 7.016 -14.471 1.00 0.00 O ATOM 796 CB MET A 54 7.190 9.163 -12.086 1.00 0.00 C ATOM 797 CG MET A 54 6.389 9.294 -10.792 1.00 0.00 C ATOM 798 SD MET A 54 4.956 8.189 -10.859 1.00 0.00 S ATOM 799 CE MET A 54 4.665 8.092 -9.076 1.00 0.00 C ATOM 0 H MET A 54 8.776 8.418 -10.440 1.00 0.00 H new ATOM 0 HA MET A 54 6.958 6.997 -12.161 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.003 9.889 -12.099 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.554 9.380 -12.944 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.016 9.044 -9.936 1.00 0.00 H new ATOM 0 HG3 MET A 54 6.062 10.325 -10.657 1.00 0.00 H new ATOM 0 HE1 MET A 54 3.808 7.448 -8.882 1.00 0.00 H new ATOM 0 HE2 MET A 54 5.547 7.680 -8.585 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.465 9.090 -8.685 1.00 0.00 H new ATOM 809 N GLY A 55 9.720 7.979 -13.600 1.00 0.00 N ATOM 810 CA GLY A 55 10.498 7.826 -14.867 1.00 0.00 C ATOM 811 C GLY A 55 10.819 6.349 -15.126 1.00 0.00 C ATOM 812 O GLY A 55 10.562 5.833 -16.198 1.00 0.00 O ATOM 0 H GLY A 55 10.224 8.431 -12.837 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.927 8.232 -15.702 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.423 8.400 -14.804 1.00 0.00 H new ATOM 816 N ASN A 56 11.384 5.669 -14.158 1.00 0.00 N ATOM 817 CA ASN A 56 11.735 4.226 -14.353 1.00 0.00 C ATOM 818 C ASN A 56 11.209 3.378 -13.190 1.00 0.00 C ATOM 819 O ASN A 56 10.932 3.882 -12.122 1.00 0.00 O ATOM 820 CB ASN A 56 13.264 4.192 -14.387 1.00 0.00 C ATOM 821 CG ASN A 56 13.764 4.920 -15.636 1.00 0.00 C ATOM 822 OD1 ASN A 56 14.237 6.037 -15.554 1.00 0.00 O ATOM 823 ND2 ASN A 56 13.682 4.330 -16.796 1.00 0.00 N ATOM 0 H ASN A 56 11.617 6.050 -13.241 1.00 0.00 H new ATOM 0 HA ASN A 56 11.292 3.819 -15.262 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.669 4.664 -13.492 1.00 0.00 H new ATOM 0 HB3 ASN A 56 13.615 3.160 -14.390 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.015 4.806 -17.635 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.285 3.393 -16.865 1.00 0.00 H new ATOM 830 N GLU A 57 11.075 2.093 -13.393 1.00 0.00 N ATOM 831 CA GLU A 57 10.573 1.205 -12.300 1.00 0.00 C ATOM 832 C GLU A 57 11.731 0.413 -11.687 1.00 0.00 C ATOM 833 O GLU A 57 12.519 -0.191 -12.391 1.00 0.00 O ATOM 834 CB GLU A 57 9.580 0.262 -12.981 1.00 0.00 C ATOM 835 CG GLU A 57 8.921 -0.632 -11.928 1.00 0.00 C ATOM 836 CD GLU A 57 7.855 -1.509 -12.591 1.00 0.00 C ATOM 837 OE1 GLU A 57 7.249 -1.053 -13.547 1.00 0.00 O ATOM 838 OE2 GLU A 57 7.663 -2.622 -12.130 1.00 0.00 O ATOM 0 H GLU A 57 11.292 1.619 -14.270 1.00 0.00 H new ATOM 0 HA GLU A 57 10.111 1.769 -11.490 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.821 0.837 -13.512 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.093 -0.350 -13.723 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.672 -1.258 -11.446 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.469 -0.019 -11.148 1.00 0.00 H new ATOM 845 N LEU A 58 11.836 0.408 -10.381 1.00 0.00 N ATOM 846 CA LEU A 58 12.922 -0.335 -9.712 1.00 0.00 C ATOM 847 C LEU A 58 12.417 -1.722 -9.294 1.00 0.00 C ATOM 848 O LEU A 58 11.246 -1.913 -9.027 1.00 0.00 O ATOM 849 CB LEU A 58 13.270 0.535 -8.501 1.00 0.00 C ATOM 850 CG LEU A 58 14.320 -0.171 -7.660 1.00 0.00 C ATOM 851 CD1 LEU A 58 15.623 -0.306 -8.453 1.00 0.00 C ATOM 852 CD2 LEU A 58 14.578 0.620 -6.374 1.00 0.00 C ATOM 0 H LEU A 58 11.201 0.897 -9.750 1.00 0.00 H new ATOM 0 HA LEU A 58 13.792 -0.509 -10.346 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.643 1.505 -8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.377 0.723 -7.905 1.00 0.00 H new ATOM 0 HG LEU A 58 13.955 -1.165 -7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 58 16.370 -0.813 -7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.440 -0.885 -9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.988 0.685 -8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.332 0.107 -5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.933 1.619 -6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.653 0.697 -5.803 1.00 0.00 H new ATOM 864 N THR A 59 13.295 -2.688 -9.254 1.00 0.00 N ATOM 865 CA THR A 59 12.901 -4.063 -8.881 1.00 0.00 C ATOM 866 C THR A 59 13.361 -4.388 -7.457 1.00 0.00 C ATOM 867 O THR A 59 14.151 -3.672 -6.871 1.00 0.00 O ATOM 868 CB THR A 59 13.637 -4.925 -9.898 1.00 0.00 C ATOM 869 OG1 THR A 59 15.028 -4.641 -9.843 1.00 0.00 O ATOM 870 CG2 THR A 59 13.106 -4.639 -11.305 1.00 0.00 C ATOM 0 H THR A 59 14.285 -2.573 -9.469 1.00 0.00 H new ATOM 0 HA THR A 59 11.822 -4.219 -8.891 1.00 0.00 H new ATOM 0 HB THR A 59 13.473 -5.977 -9.663 1.00 0.00 H new ATOM 0 HG1 THR A 59 15.502 -5.197 -10.496 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.637 -5.259 -12.027 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.041 -4.867 -11.345 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.262 -3.587 -11.546 1.00 0.00 H new ATOM 878 N PHE A 60 12.868 -5.465 -6.902 1.00 0.00 N ATOM 879 CA PHE A 60 13.267 -5.851 -5.514 1.00 0.00 C ATOM 880 C PHE A 60 14.454 -6.815 -5.576 1.00 0.00 C ATOM 881 O PHE A 60 14.293 -7.992 -5.839 1.00 0.00 O ATOM 882 CB PHE A 60 12.041 -6.559 -4.929 1.00 0.00 C ATOM 883 CG PHE A 60 10.843 -5.635 -4.971 1.00 0.00 C ATOM 884 CD1 PHE A 60 10.910 -4.351 -4.367 1.00 0.00 C ATOM 885 CD2 PHE A 60 9.651 -6.053 -5.622 1.00 0.00 C ATOM 886 CE1 PHE A 60 9.784 -3.485 -4.413 1.00 0.00 C ATOM 887 CE2 PHE A 60 8.525 -5.187 -5.668 1.00 0.00 C ATOM 888 CZ PHE A 60 8.592 -3.903 -5.063 1.00 0.00 C ATOM 0 H PHE A 60 12.204 -6.096 -7.351 1.00 0.00 H new ATOM 0 HA PHE A 60 13.567 -4.994 -4.911 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.831 -7.467 -5.494 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.241 -6.862 -3.901 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.816 -4.033 -3.873 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.601 -7.029 -6.082 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.835 -2.509 -3.954 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.619 -5.505 -6.163 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.736 -3.245 -5.097 1.00 0.00 H new ATOM 898 N LEU A 61 15.645 -6.321 -5.348 1.00 0.00 N ATOM 899 CA LEU A 61 16.849 -7.204 -5.406 1.00 0.00 C ATOM 900 C LEU A 61 17.365 -7.555 -4.005 1.00 0.00 C ATOM 901 O LEU A 61 18.371 -8.228 -3.873 1.00 0.00 O ATOM 902 CB LEU A 61 17.896 -6.386 -6.163 1.00 0.00 C ATOM 903 CG LEU A 61 17.416 -6.135 -7.593 1.00 0.00 C ATOM 904 CD1 LEU A 61 18.390 -5.193 -8.302 1.00 0.00 C ATOM 905 CD2 LEU A 61 17.356 -7.464 -8.349 1.00 0.00 C ATOM 0 H LEU A 61 15.835 -5.344 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 61 16.621 -8.154 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 61 18.068 -5.437 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 61 18.847 -6.918 -6.176 1.00 0.00 H new ATOM 0 HG LEU A 61 16.425 -5.682 -7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.047 -5.015 -9.321 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.437 -4.246 -7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 61 19.381 -5.646 -8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.014 -7.287 -9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.348 -7.915 -8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.663 -8.138 -7.846 1.00 0.00 H new ATOM 917 N ASP A 62 16.705 -7.110 -2.958 1.00 0.00 N ATOM 918 CA ASP A 62 17.200 -7.435 -1.586 1.00 0.00 C ATOM 919 C ASP A 62 17.051 -8.922 -1.307 1.00 0.00 C ATOM 920 O ASP A 62 17.934 -9.560 -0.763 1.00 0.00 O ATOM 921 CB ASP A 62 16.371 -6.582 -0.616 1.00 0.00 C ATOM 922 CG ASP A 62 14.890 -6.969 -0.683 1.00 0.00 C ATOM 923 OD1 ASP A 62 14.444 -7.363 -1.748 1.00 0.00 O ATOM 924 OD2 ASP A 62 14.229 -6.861 0.336 1.00 0.00 O ATOM 0 H ASP A 62 15.857 -6.544 -2.996 1.00 0.00 H new ATOM 0 HA ASP A 62 18.261 -7.211 -1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 62 16.741 -6.715 0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 62 16.487 -5.526 -0.862 1.00 0.00 H new ATOM 929 N ASP A 63 15.954 -9.470 -1.704 1.00 0.00 N ATOM 930 CA ASP A 63 15.715 -10.916 -1.514 1.00 0.00 C ATOM 931 C ASP A 63 15.747 -11.664 -2.852 1.00 0.00 C ATOM 932 O ASP A 63 15.465 -12.839 -2.907 1.00 0.00 O ATOM 933 CB ASP A 63 14.341 -11.030 -0.846 1.00 0.00 C ATOM 934 CG ASP A 63 14.421 -10.561 0.615 1.00 0.00 C ATOM 935 OD1 ASP A 63 15.425 -9.970 0.985 1.00 0.00 O ATOM 936 OD2 ASP A 63 13.474 -10.809 1.343 1.00 0.00 O ATOM 0 H ASP A 63 15.194 -8.968 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 63 16.492 -11.369 -0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.613 -10.428 -1.390 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.994 -12.062 -0.886 1.00 0.00 H new ATOM 941 N SER A 64 16.120 -10.983 -3.914 1.00 0.00 N ATOM 942 CA SER A 64 16.218 -11.605 -5.288 1.00 0.00 C ATOM 943 C SER A 64 15.166 -12.704 -5.553 1.00 0.00 C ATOM 944 O SER A 64 15.441 -13.662 -6.252 1.00 0.00 O ATOM 945 CB SER A 64 17.622 -12.205 -5.333 1.00 0.00 C ATOM 946 OG SER A 64 18.581 -11.160 -5.240 1.00 0.00 O ATOM 0 H SER A 64 16.368 -9.994 -3.889 1.00 0.00 H new ATOM 0 HA SER A 64 16.030 -10.854 -6.055 1.00 0.00 H new ATOM 0 HB2 SER A 64 17.755 -12.911 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 64 17.763 -12.762 -6.259 1.00 0.00 H new ATOM 0 HG SER A 64 19.484 -11.541 -5.267 1.00 0.00 H new ATOM 952 N ILE A 67 13.977 -12.582 -5.011 1.00 0.00 N ATOM 953 CA ILE A 67 12.933 -13.635 -5.250 1.00 0.00 C ATOM 954 C ILE A 67 11.529 -13.006 -5.411 1.00 0.00 C ATOM 955 O ILE A 67 10.534 -13.709 -5.441 1.00 0.00 O ATOM 956 CB ILE A 67 13.017 -14.560 -4.012 1.00 0.00 C ATOM 957 CG1 ILE A 67 14.333 -15.352 -4.042 1.00 0.00 C ATOM 958 CG2 ILE A 67 11.839 -15.547 -3.969 1.00 0.00 C ATOM 959 CD1 ILE A 67 14.384 -16.230 -5.290 1.00 0.00 C ATOM 0 H ILE A 67 13.684 -11.806 -4.418 1.00 0.00 H new ATOM 0 HA ILE A 67 13.104 -14.187 -6.174 1.00 0.00 H new ATOM 0 HB ILE A 67 12.976 -13.931 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 67 15.180 -14.666 -4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 67 14.416 -15.970 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 67 11.928 -16.182 -3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 67 10.901 -14.993 -3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 67 11.851 -16.167 -4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 67 15.320 -16.788 -5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 67 13.546 -16.927 -5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 67 14.323 -15.602 -6.179 1.00 0.00 H new ATOM 971 N CYS A 68 11.432 -11.702 -5.535 1.00 0.00 N ATOM 972 CA CYS A 68 10.083 -11.072 -5.708 1.00 0.00 C ATOM 973 C CYS A 68 10.060 -10.148 -6.926 1.00 0.00 C ATOM 974 O CYS A 68 10.989 -9.403 -7.177 1.00 0.00 O ATOM 975 CB CYS A 68 9.834 -10.271 -4.431 1.00 0.00 C ATOM 976 SG CYS A 68 11.216 -9.143 -4.148 1.00 0.00 S ATOM 0 H CYS A 68 12.219 -11.053 -5.524 1.00 0.00 H new ATOM 0 HA CYS A 68 9.314 -11.827 -5.873 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.904 -9.709 -4.517 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.722 -10.945 -3.582 1.00 0.00 H new ATOM 981 N THR A 69 8.990 -10.191 -7.671 1.00 0.00 N ATOM 982 CA THR A 69 8.856 -9.321 -8.872 1.00 0.00 C ATOM 983 C THR A 69 7.420 -8.801 -8.947 1.00 0.00 C ATOM 984 O THR A 69 6.517 -9.408 -8.404 1.00 0.00 O ATOM 985 CB THR A 69 9.187 -10.228 -10.065 1.00 0.00 C ATOM 986 OG1 THR A 69 9.105 -9.474 -11.267 1.00 0.00 O ATOM 987 CG2 THR A 69 8.204 -11.402 -10.126 1.00 0.00 C ATOM 0 H THR A 69 8.192 -10.801 -7.495 1.00 0.00 H new ATOM 0 HA THR A 69 9.515 -8.453 -8.851 1.00 0.00 H new ATOM 0 HB THR A 69 10.197 -10.620 -9.946 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.318 -10.051 -12.030 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.449 -12.038 -10.976 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.274 -11.983 -9.206 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.189 -11.021 -10.239 1.00 0.00 H new ATOM 995 N GLY A 70 7.196 -7.692 -9.602 1.00 0.00 N ATOM 996 CA GLY A 70 5.807 -7.158 -9.687 1.00 0.00 C ATOM 997 C GLY A 70 5.744 -5.975 -10.649 1.00 0.00 C ATOM 998 O GLY A 70 6.732 -5.573 -11.233 1.00 0.00 O ATOM 0 H GLY A 70 7.908 -7.138 -10.077 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.130 -7.943 -10.023 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.470 -6.848 -8.698 1.00 0.00 H new ATOM 1002 N THR A 71 4.575 -5.419 -10.804 1.00 0.00 N ATOM 1003 CA THR A 71 4.393 -4.257 -11.711 1.00 0.00 C ATOM 1004 C THR A 71 3.934 -3.042 -10.902 1.00 0.00 C ATOM 1005 O THR A 71 3.486 -3.160 -9.780 1.00 0.00 O ATOM 1006 CB THR A 71 3.310 -4.687 -12.689 1.00 0.00 C ATOM 1007 OG1 THR A 71 3.737 -5.840 -13.399 1.00 0.00 O ATOM 1008 CG2 THR A 71 3.006 -3.559 -13.674 1.00 0.00 C ATOM 0 H THR A 71 3.725 -5.728 -10.331 1.00 0.00 H new ATOM 0 HA THR A 71 5.313 -3.977 -12.224 1.00 0.00 H new ATOM 0 HB THR A 71 2.404 -4.920 -12.130 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.037 -6.116 -14.027 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.229 -3.881 -14.368 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.663 -2.681 -13.127 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.909 -3.309 -14.231 1.00 0.00 H new ATOM 1016 N SER A 72 4.047 -1.885 -11.478 1.00 0.00 N ATOM 1017 CA SER A 72 3.625 -0.636 -10.780 1.00 0.00 C ATOM 1018 C SER A 72 3.235 0.406 -11.842 1.00 0.00 C ATOM 1019 O SER A 72 4.068 0.848 -12.612 1.00 0.00 O ATOM 1020 CB SER A 72 4.868 -0.217 -9.974 1.00 0.00 C ATOM 1021 OG SER A 72 5.639 0.732 -10.704 1.00 0.00 O ATOM 0 H SER A 72 4.419 -1.744 -12.417 1.00 0.00 H new ATOM 0 HA SER A 72 2.762 -0.752 -10.125 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.562 0.211 -9.019 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.476 -1.093 -9.750 1.00 0.00 H new ATOM 0 HG SER A 72 5.239 1.621 -10.609 1.00 0.00 H new ATOM 1027 N SER A 73 1.978 0.785 -11.912 1.00 0.00 N ATOM 1028 CA SER A 73 1.560 1.778 -12.950 1.00 0.00 C ATOM 1029 C SER A 73 0.487 2.717 -12.406 1.00 0.00 C ATOM 1030 O SER A 73 -0.338 2.330 -11.602 1.00 0.00 O ATOM 1031 CB SER A 73 0.998 0.934 -14.094 1.00 0.00 C ATOM 1032 OG SER A 73 2.054 0.198 -14.697 1.00 0.00 O ATOM 0 H SER A 73 1.232 0.452 -11.301 1.00 0.00 H new ATOM 0 HA SER A 73 2.391 2.408 -13.267 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.234 0.254 -13.718 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.518 1.576 -14.833 1.00 0.00 H new ATOM 0 HG SER A 73 1.697 -0.346 -15.430 1.00 0.00 H new ATOM 1038 N GLY A 74 0.486 3.950 -12.849 1.00 0.00 N ATOM 1039 CA GLY A 74 -0.540 4.929 -12.376 1.00 0.00 C ATOM 1040 C GLY A 74 -0.549 4.985 -10.846 1.00 0.00 C ATOM 1041 O GLY A 74 0.464 5.234 -10.219 1.00 0.00 O ATOM 0 H GLY A 74 1.156 4.322 -13.522 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.325 5.917 -12.782 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.525 4.641 -12.743 1.00 0.00 H new ATOM 1045 N ASN A 75 -1.687 4.748 -10.250 1.00 0.00 N ATOM 1046 CA ASN A 75 -1.780 4.780 -8.763 1.00 0.00 C ATOM 1047 C ASN A 75 -1.996 3.367 -8.204 1.00 0.00 C ATOM 1048 O ASN A 75 -2.446 3.209 -7.085 1.00 0.00 O ATOM 1049 CB ASN A 75 -2.989 5.666 -8.463 1.00 0.00 C ATOM 1050 CG ASN A 75 -2.719 7.090 -8.955 1.00 0.00 C ATOM 1051 OD1 ASN A 75 -3.555 7.688 -9.603 1.00 0.00 O ATOM 1052 ND2 ASN A 75 -1.583 7.666 -8.669 1.00 0.00 N ATOM 0 H ASN A 75 -2.560 4.533 -10.732 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.868 5.161 -8.304 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.877 5.264 -8.951 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.190 5.673 -7.392 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.398 8.617 -8.989 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.880 7.165 -8.125 1.00 0.00 H new ATOM 1059 N GLN A 76 -1.679 2.340 -8.963 1.00 0.00 N ATOM 1060 CA GLN A 76 -1.873 0.950 -8.449 1.00 0.00 C ATOM 1061 C GLN A 76 -0.566 0.164 -8.555 1.00 0.00 C ATOM 1062 O GLN A 76 0.074 0.150 -9.590 1.00 0.00 O ATOM 1063 CB GLN A 76 -2.971 0.336 -9.331 1.00 0.00 C ATOM 1064 CG GLN A 76 -2.519 0.290 -10.795 1.00 0.00 C ATOM 1065 CD GLN A 76 -3.662 -0.232 -11.670 1.00 0.00 C ATOM 1066 OE1 GLN A 76 -4.397 -1.225 -11.247 1.00 0.00 O flip ATOM 1067 NE2 GLN A 76 -3.890 0.270 -12.753 1.00 0.00 N flip ATOM 0 H GLN A 76 -1.298 2.407 -9.907 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.161 0.933 -7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.204 -0.671 -8.984 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.886 0.923 -9.245 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.220 1.285 -11.125 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.646 -0.355 -10.896 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.318 1.046 -13.086 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.654 -0.084 -13.329 1.00 0.00 H new ATOM 1076 N VAL A 77 -0.156 -0.476 -7.486 1.00 0.00 N ATOM 1077 CA VAL A 77 1.116 -1.243 -7.521 1.00 0.00 C ATOM 1078 C VAL A 77 0.817 -2.752 -7.462 1.00 0.00 C ATOM 1079 O VAL A 77 0.112 -3.212 -6.586 1.00 0.00 O ATOM 1080 CB VAL A 77 1.931 -0.765 -6.290 1.00 0.00 C ATOM 1081 CG1 VAL A 77 1.859 0.767 -6.133 1.00 0.00 C ATOM 1082 CG2 VAL A 77 1.442 -1.427 -4.988 1.00 0.00 C ATOM 0 H VAL A 77 -0.651 -0.497 -6.594 1.00 0.00 H new ATOM 0 HA VAL A 77 1.680 -1.076 -8.439 1.00 0.00 H new ATOM 0 HB VAL A 77 2.964 -1.062 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.440 1.071 -5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.266 1.244 -7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.821 1.071 -6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.038 -1.066 -4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.394 -1.175 -4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.547 -2.509 -5.068 1.00 0.00 H new ATOM 1092 N ASN A 78 1.337 -3.516 -8.388 1.00 0.00 N ATOM 1093 CA ASN A 78 1.071 -4.986 -8.379 1.00 0.00 C ATOM 1094 C ASN A 78 2.318 -5.766 -7.941 1.00 0.00 C ATOM 1095 O ASN A 78 3.358 -5.689 -8.561 1.00 0.00 O ATOM 1096 CB ASN A 78 0.696 -5.331 -9.824 1.00 0.00 C ATOM 1097 CG ASN A 78 0.012 -6.703 -9.855 1.00 0.00 C ATOM 1098 OD1 ASN A 78 0.156 -7.499 -8.948 1.00 0.00 O ATOM 1099 ND2 ASN A 78 -0.733 -6.990 -10.896 1.00 0.00 N ATOM 0 H ASN A 78 1.933 -3.187 -9.148 1.00 0.00 H new ATOM 0 HA ASN A 78 0.281 -5.251 -7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.030 -4.570 -10.231 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.588 -5.342 -10.451 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.203 -7.894 -10.953 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.842 -6.310 -11.648 1.00 0.00 H new ATOM 1105 N LEU A 79 2.212 -6.524 -6.878 1.00 0.00 N ATOM 1106 CA LEU A 79 3.379 -7.330 -6.395 1.00 0.00 C ATOM 1107 C LEU A 79 3.123 -8.817 -6.685 1.00 0.00 C ATOM 1108 O LEU A 79 2.058 -9.326 -6.401 1.00 0.00 O ATOM 1109 CB LEU A 79 3.439 -7.073 -4.884 1.00 0.00 C ATOM 1110 CG LEU A 79 3.883 -5.629 -4.609 1.00 0.00 C ATOM 1111 CD1 LEU A 79 3.654 -5.297 -3.136 1.00 0.00 C ATOM 1112 CD2 LEU A 79 5.374 -5.484 -4.936 1.00 0.00 C ATOM 0 H LEU A 79 1.363 -6.621 -6.320 1.00 0.00 H new ATOM 0 HA LEU A 79 4.315 -7.059 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.460 -7.251 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.134 -7.770 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 79 3.304 -4.946 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.969 -4.272 -2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.595 -5.402 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.234 -5.979 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.691 -4.459 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.951 -6.167 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.541 -5.722 -5.986 1.00 0.00 H new ATOM 1124 N THR A 80 4.082 -9.514 -7.256 1.00 0.00 N ATOM 1125 CA THR A 80 3.874 -10.966 -7.575 1.00 0.00 C ATOM 1126 C THR A 80 4.902 -11.840 -6.844 1.00 0.00 C ATOM 1127 O THR A 80 6.065 -11.497 -6.744 1.00 0.00 O ATOM 1128 CB THR A 80 4.074 -11.070 -9.089 1.00 0.00 C ATOM 1129 OG1 THR A 80 3.183 -10.178 -9.744 1.00 0.00 O ATOM 1130 CG2 THR A 80 3.787 -12.501 -9.545 1.00 0.00 C ATOM 0 H THR A 80 4.996 -9.141 -7.514 1.00 0.00 H new ATOM 0 HA THR A 80 2.889 -11.312 -7.260 1.00 0.00 H new ATOM 0 HB THR A 80 5.102 -10.809 -9.339 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.481 -9.900 -9.120 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.929 -12.575 -10.623 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.468 -13.187 -9.041 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.759 -12.763 -9.296 1.00 0.00 H new ATOM 1138 N ILE A 81 4.475 -12.971 -6.340 1.00 0.00 N ATOM 1139 CA ILE A 81 5.411 -13.890 -5.622 1.00 0.00 C ATOM 1140 C ILE A 81 5.510 -15.223 -6.361 1.00 0.00 C ATOM 1141 O ILE A 81 4.506 -15.818 -6.703 1.00 0.00 O ATOM 1142 CB ILE A 81 4.783 -14.116 -4.242 1.00 0.00 C ATOM 1143 CG1 ILE A 81 4.734 -12.795 -3.473 1.00 0.00 C ATOM 1144 CG2 ILE A 81 5.610 -15.143 -3.452 1.00 0.00 C ATOM 1145 CD1 ILE A 81 3.730 -12.917 -2.325 1.00 0.00 C ATOM 0 H ILE A 81 3.511 -13.299 -6.396 1.00 0.00 H new ATOM 0 HA ILE A 81 6.415 -13.471 -5.556 1.00 0.00 H new ATOM 0 HB ILE A 81 3.769 -14.496 -4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.722 -12.551 -3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.445 -11.983 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.158 -15.298 -2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.632 -16.088 -3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.627 -14.772 -3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.692 -11.977 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.742 -13.142 -2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.040 -13.719 -1.654 1.00 0.00 H new ATOM 1157 N GLN A 82 6.703 -15.713 -6.576 1.00 0.00 N ATOM 1158 CA GLN A 82 6.845 -17.029 -7.255 1.00 0.00 C ATOM 1159 C GLN A 82 7.575 -18.015 -6.347 1.00 0.00 C ATOM 1160 O GLN A 82 8.700 -17.792 -5.940 1.00 0.00 O ATOM 1161 CB GLN A 82 7.662 -16.770 -8.511 1.00 0.00 C ATOM 1162 CG GLN A 82 6.913 -15.793 -9.414 1.00 0.00 C ATOM 1163 CD GLN A 82 7.759 -15.485 -10.651 1.00 0.00 C ATOM 1164 OE1 GLN A 82 8.548 -16.303 -11.081 1.00 0.00 O ATOM 1165 NE2 GLN A 82 7.629 -14.330 -11.244 1.00 0.00 N ATOM 0 H GLN A 82 7.578 -15.260 -6.312 1.00 0.00 H new ATOM 0 HA GLN A 82 5.873 -17.461 -7.493 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.637 -16.362 -8.245 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.842 -17.706 -9.040 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.955 -16.220 -9.713 1.00 0.00 H new ATOM 0 HG3 GLN A 82 6.697 -14.873 -8.871 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.967 -13.643 -10.883 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.190 -14.114 -12.068 1.00 0.00 H new ATOM 1174 N GLY A 83 6.937 -19.104 -6.043 1.00 0.00 N ATOM 1175 CA GLY A 83 7.567 -20.139 -5.170 1.00 0.00 C ATOM 1176 C GLY A 83 6.790 -20.255 -3.859 1.00 0.00 C ATOM 1177 O GLY A 83 7.368 -20.401 -2.798 1.00 0.00 O ATOM 0 H GLY A 83 5.995 -19.329 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.579 -21.101 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.604 -19.873 -4.966 1.00 0.00 H new ATOM 1181 N LEU A 84 5.484 -20.186 -3.923 1.00 0.00 N ATOM 1182 CA LEU A 84 4.665 -20.286 -2.680 1.00 0.00 C ATOM 1183 C LEU A 84 4.192 -21.721 -2.438 1.00 0.00 C ATOM 1184 O LEU A 84 3.473 -22.295 -3.233 1.00 0.00 O ATOM 1185 CB LEU A 84 3.467 -19.378 -2.935 1.00 0.00 C ATOM 1186 CG LEU A 84 3.927 -17.923 -2.934 1.00 0.00 C ATOM 1187 CD1 LEU A 84 2.804 -17.041 -3.478 1.00 0.00 C ATOM 1188 CD2 LEU A 84 4.266 -17.499 -1.501 1.00 0.00 C ATOM 0 H LEU A 84 4.951 -20.065 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 84 5.237 -19.998 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.006 -19.625 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.709 -19.532 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 84 4.812 -17.815 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.127 -16.000 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.561 -17.347 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.921 -17.146 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.595 -16.460 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.382 -17.602 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.063 -18.133 -1.113 1.00 0.00 H new ATOM 1200 N ARG A 85 4.572 -22.284 -1.323 1.00 0.00 N ATOM 1201 CA ARG A 85 4.136 -23.667 -0.978 1.00 0.00 C ATOM 1202 C ARG A 85 3.009 -23.588 0.052 1.00 0.00 C ATOM 1203 O ARG A 85 2.626 -22.511 0.472 1.00 0.00 O ATOM 1204 CB ARG A 85 5.369 -24.340 -0.373 1.00 0.00 C ATOM 1205 CG ARG A 85 6.458 -24.455 -1.440 1.00 0.00 C ATOM 1206 CD ARG A 85 6.341 -25.808 -2.144 1.00 0.00 C ATOM 1207 NE ARG A 85 7.404 -25.791 -3.196 1.00 0.00 N ATOM 1208 CZ ARG A 85 8.666 -26.039 -2.906 1.00 0.00 C ATOM 1209 NH1 ARG A 85 9.055 -26.289 -1.676 1.00 0.00 N ATOM 1210 NH2 ARG A 85 9.552 -26.029 -3.863 1.00 0.00 N ATOM 0 H ARG A 85 5.173 -21.839 -0.629 1.00 0.00 H new ATOM 0 HA ARG A 85 3.764 -24.222 -1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.734 -23.760 0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.109 -25.329 0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.359 -23.646 -2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.442 -24.355 -0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.491 -26.631 -1.445 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.352 -25.940 -2.584 1.00 0.00 H new ATOM 0 HE ARG A 85 7.146 -25.583 -4.161 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.374 -26.294 -0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.038 -26.478 -1.480 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.265 -25.831 -4.822 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.532 -26.219 -3.653 1.00 0.00 H new ATOM 1224 N ALA A 86 2.473 -24.708 0.467 1.00 0.00 N ATOM 1225 CA ALA A 86 1.372 -24.680 1.482 1.00 0.00 C ATOM 1226 C ALA A 86 1.867 -24.008 2.767 1.00 0.00 C ATOM 1227 O ALA A 86 1.154 -23.257 3.405 1.00 0.00 O ATOM 1228 CB ALA A 86 1.025 -26.147 1.743 1.00 0.00 C ATOM 0 H ALA A 86 2.748 -25.638 0.149 1.00 0.00 H new ATOM 0 HA ALA A 86 0.505 -24.118 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.223 -26.206 2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.700 -26.615 0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.905 -26.667 2.122 1.00 0.00 H new ATOM 1234 N MET A 87 3.090 -24.277 3.140 1.00 0.00 N ATOM 1235 CA MET A 87 3.664 -23.667 4.377 1.00 0.00 C ATOM 1236 C MET A 87 3.856 -22.155 4.201 1.00 0.00 C ATOM 1237 O MET A 87 3.734 -21.392 5.140 1.00 0.00 O ATOM 1238 CB MET A 87 5.019 -24.354 4.565 1.00 0.00 C ATOM 1239 CG MET A 87 5.661 -23.875 5.868 1.00 0.00 C ATOM 1240 SD MET A 87 7.360 -24.493 5.966 1.00 0.00 S ATOM 1241 CE MET A 87 6.957 -26.256 6.042 1.00 0.00 C ATOM 0 H MET A 87 3.722 -24.899 2.636 1.00 0.00 H new ATOM 0 HA MET A 87 3.008 -23.802 5.237 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.889 -25.436 4.588 1.00 0.00 H new ATOM 0 HB3 MET A 87 5.672 -24.129 3.722 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.656 -22.786 5.910 1.00 0.00 H new ATOM 0 HG3 MET A 87 5.084 -24.229 6.722 1.00 0.00 H new ATOM 0 HE1 MET A 87 7.766 -26.793 6.537 1.00 0.00 H new ATOM 0 HE2 MET A 87 6.033 -26.394 6.604 1.00 0.00 H new ATOM 0 HE3 MET A 87 6.828 -26.644 5.031 1.00 0.00 H new ATOM 1251 N ASP A 88 4.176 -21.727 3.008 1.00 0.00 N ATOM 1252 CA ASP A 88 4.407 -20.267 2.759 1.00 0.00 C ATOM 1253 C ASP A 88 3.110 -19.458 2.889 1.00 0.00 C ATOM 1254 O ASP A 88 3.151 -18.250 3.029 1.00 0.00 O ATOM 1255 CB ASP A 88 4.951 -20.180 1.334 1.00 0.00 C ATOM 1256 CG ASP A 88 6.325 -20.857 1.263 1.00 0.00 C ATOM 1257 OD1 ASP A 88 7.011 -20.881 2.273 1.00 0.00 O ATOM 1258 OD2 ASP A 88 6.667 -21.342 0.196 1.00 0.00 O ATOM 0 H ASP A 88 4.289 -22.326 2.190 1.00 0.00 H new ATOM 0 HA ASP A 88 5.098 -19.849 3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.261 -20.662 0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.033 -19.137 1.029 1.00 0.00 H new ATOM 1263 N THR A 89 1.961 -20.100 2.842 1.00 0.00 N ATOM 1264 CA THR A 89 0.670 -19.358 2.964 1.00 0.00 C ATOM 1265 C THR A 89 0.694 -18.456 4.195 1.00 0.00 C ATOM 1266 O THR A 89 1.129 -18.856 5.260 1.00 0.00 O ATOM 1267 CB THR A 89 -0.399 -20.418 3.117 1.00 0.00 C ATOM 1268 OG1 THR A 89 -0.265 -21.386 2.086 1.00 0.00 O ATOM 1269 CG2 THR A 89 -1.781 -19.769 3.042 1.00 0.00 C ATOM 0 H THR A 89 1.867 -21.109 2.724 1.00 0.00 H new ATOM 0 HA THR A 89 0.488 -18.722 2.098 1.00 0.00 H new ATOM 0 HB THR A 89 -0.285 -20.908 4.084 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.011 -22.242 2.475 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.549 -20.535 3.152 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.882 -19.035 3.842 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.899 -19.274 2.078 1.00 0.00 H new ATOM 1277 N GLY A 90 0.249 -17.244 4.048 1.00 0.00 N ATOM 1278 CA GLY A 90 0.265 -16.302 5.211 1.00 0.00 C ATOM 1279 C GLY A 90 -0.205 -14.910 4.788 1.00 0.00 C ATOM 1280 O GLY A 90 -0.944 -14.756 3.835 1.00 0.00 O ATOM 0 H GLY A 90 -0.125 -16.860 3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.380 -16.684 6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.273 -16.241 5.622 1.00 0.00 H new ATOM 1284 N LEU A 91 0.210 -13.895 5.512 1.00 0.00 N ATOM 1285 CA LEU A 91 -0.220 -12.508 5.183 1.00 0.00 C ATOM 1286 C LEU A 91 0.930 -11.667 4.624 1.00 0.00 C ATOM 1287 O LEU A 91 1.984 -11.541 5.229 1.00 0.00 O ATOM 1288 CB LEU A 91 -0.689 -11.923 6.515 1.00 0.00 C ATOM 1289 CG LEU A 91 -1.251 -10.519 6.287 1.00 0.00 C ATOM 1290 CD1 LEU A 91 -2.669 -10.623 5.738 1.00 0.00 C ATOM 1291 CD2 LEU A 91 -1.267 -9.754 7.607 1.00 0.00 C ATOM 0 H LEU A 91 0.830 -13.974 6.318 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.994 -12.509 4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.452 -12.564 6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.142 -11.884 7.219 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.623 -9.988 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.070 -9.623 5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.654 -11.166 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.298 -11.154 6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.668 -8.754 7.443 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.893 -10.282 8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.252 -9.679 7.996 1.00 0.00 H new ATOM 1303 N TYR A 92 0.696 -11.044 3.498 1.00 0.00 N ATOM 1304 CA TYR A 92 1.719 -10.148 2.892 1.00 0.00 C ATOM 1305 C TYR A 92 1.204 -8.710 2.957 1.00 0.00 C ATOM 1306 O TYR A 92 0.016 -8.469 2.862 1.00 0.00 O ATOM 1307 CB TYR A 92 1.887 -10.614 1.448 1.00 0.00 C ATOM 1308 CG TYR A 92 2.787 -11.827 1.418 1.00 0.00 C ATOM 1309 CD1 TYR A 92 2.239 -13.128 1.570 1.00 0.00 C ATOM 1310 CD2 TYR A 92 4.187 -11.661 1.238 1.00 0.00 C ATOM 1311 CE1 TYR A 92 3.093 -14.265 1.542 1.00 0.00 C ATOM 1312 CE2 TYR A 92 5.040 -12.795 1.209 1.00 0.00 C ATOM 1313 CZ TYR A 92 4.494 -14.097 1.362 1.00 0.00 C ATOM 1314 OH TYR A 92 5.322 -15.201 1.333 1.00 0.00 O ATOM 0 H TYR A 92 -0.172 -11.121 2.968 1.00 0.00 H new ATOM 0 HA TYR A 92 2.676 -10.183 3.412 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.916 -10.856 1.016 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.314 -9.814 0.843 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.175 -13.254 1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.602 -10.671 1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 92 2.678 -15.255 1.657 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.104 -12.668 1.071 1.00 0.00 H new ATOM 0 HH TYR A 92 6.195 -14.946 0.969 1.00 0.00 H new ATOM 1324 N ILE A 93 2.080 -7.763 3.159 1.00 0.00 N ATOM 1325 CA ILE A 93 1.639 -6.342 3.278 1.00 0.00 C ATOM 1326 C ILE A 93 2.107 -5.512 2.088 1.00 0.00 C ATOM 1327 O ILE A 93 3.210 -5.665 1.616 1.00 0.00 O ATOM 1328 CB ILE A 93 2.317 -5.823 4.555 1.00 0.00 C ATOM 1329 CG1 ILE A 93 1.766 -6.558 5.775 1.00 0.00 C ATOM 1330 CG2 ILE A 93 2.052 -4.316 4.730 1.00 0.00 C ATOM 1331 CD1 ILE A 93 2.452 -7.912 5.953 1.00 0.00 C ATOM 0 H ILE A 93 3.085 -7.912 3.247 1.00 0.00 H new ATOM 0 HA ILE A 93 0.552 -6.269 3.308 1.00 0.00 H new ATOM 0 HB ILE A 93 3.389 -5.998 4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.914 -5.951 6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.691 -6.702 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.539 -3.964 5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.450 -3.774 3.872 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.979 -4.141 4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 93 2.042 -8.415 6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.281 -8.526 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.523 -7.762 6.089 1.00 0.00 H new ATOM 1343 N CYS A 94 1.294 -4.590 1.654 1.00 0.00 N ATOM 1344 CA CYS A 94 1.706 -3.685 0.549 1.00 0.00 C ATOM 1345 C CYS A 94 2.004 -2.321 1.175 1.00 0.00 C ATOM 1346 O CYS A 94 1.136 -1.702 1.761 1.00 0.00 O ATOM 1347 CB CYS A 94 0.513 -3.615 -0.401 1.00 0.00 C ATOM 1348 SG CYS A 94 -0.814 -2.646 0.357 1.00 0.00 S ATOM 0 H CYS A 94 0.357 -4.425 2.020 1.00 0.00 H new ATOM 0 HA CYS A 94 2.590 -4.021 0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.814 -3.161 -1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.158 -4.620 -0.629 1.00 0.00 H new ATOM 1353 N LYS A 95 3.224 -1.865 1.084 1.00 0.00 N ATOM 1354 CA LYS A 95 3.587 -0.558 1.705 1.00 0.00 C ATOM 1355 C LYS A 95 3.659 0.516 0.631 1.00 0.00 C ATOM 1356 O LYS A 95 4.102 0.263 -0.471 1.00 0.00 O ATOM 1357 CB LYS A 95 4.960 -0.788 2.333 1.00 0.00 C ATOM 1358 CG LYS A 95 5.364 0.426 3.178 1.00 0.00 C ATOM 1359 CD LYS A 95 5.526 -0.001 4.634 1.00 0.00 C ATOM 1360 CE LYS A 95 6.271 1.089 5.407 1.00 0.00 C ATOM 1361 NZ LYS A 95 6.510 0.513 6.760 1.00 0.00 N ATOM 0 H LYS A 95 3.987 -2.343 0.605 1.00 0.00 H new ATOM 0 HA LYS A 95 2.857 -0.225 2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.938 -1.683 2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.701 -0.960 1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.297 0.848 2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.607 1.206 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.549 -0.176 5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.076 -0.941 4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.210 1.347 4.917 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.680 2.003 5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.412 1.259 7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.815 -0.239 6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.470 0.115 6.803 1.00 0.00 H new ATOM 1375 N VAL A 96 3.201 1.703 0.931 1.00 0.00 N ATOM 1376 CA VAL A 96 3.227 2.797 -0.086 1.00 0.00 C ATOM 1377 C VAL A 96 3.494 4.125 0.619 1.00 0.00 C ATOM 1378 O VAL A 96 2.611 4.663 1.266 1.00 0.00 O ATOM 1379 CB VAL A 96 1.822 2.814 -0.694 1.00 0.00 C ATOM 1380 CG1 VAL A 96 1.805 3.732 -1.922 1.00 0.00 C ATOM 1381 CG2 VAL A 96 1.388 1.395 -1.095 1.00 0.00 C ATOM 0 H VAL A 96 2.810 1.963 1.836 1.00 0.00 H new ATOM 0 HA VAL A 96 3.998 2.646 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 96 1.122 3.190 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.804 3.743 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.083 4.743 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.515 3.363 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.387 1.429 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.086 0.995 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.383 0.753 -0.214 1.00 0.00 H new ATOM 1391 N GLU A 97 4.695 4.651 0.529 1.00 0.00 N ATOM 1392 CA GLU A 97 4.974 5.933 1.238 1.00 0.00 C ATOM 1393 C GLU A 97 5.770 6.927 0.396 1.00 0.00 C ATOM 1394 O GLU A 97 6.876 6.646 -0.034 1.00 0.00 O ATOM 1395 CB GLU A 97 5.821 5.535 2.444 1.00 0.00 C ATOM 1396 CG GLU A 97 5.019 4.591 3.343 1.00 0.00 C ATOM 1397 CD GLU A 97 5.810 4.309 4.621 1.00 0.00 C ATOM 1398 OE1 GLU A 97 7.022 4.213 4.534 1.00 0.00 O ATOM 1399 OE2 GLU A 97 5.188 4.194 5.664 1.00 0.00 O ATOM 0 H GLU A 97 5.476 4.255 0.006 1.00 0.00 H new ATOM 0 HA GLU A 97 4.036 6.428 1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.738 5.047 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.116 6.423 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.056 5.038 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.813 3.659 2.817 1.00 0.00 H new ATOM 1406 N LEU A 98 5.257 8.119 0.241 1.00 0.00 N ATOM 1407 CA LEU A 98 6.018 9.170 -0.465 1.00 0.00 C ATOM 1408 C LEU A 98 6.993 9.680 0.575 1.00 0.00 C ATOM 1409 O LEU A 98 6.778 10.683 1.223 1.00 0.00 O ATOM 1410 CB LEU A 98 4.986 10.220 -0.860 1.00 0.00 C ATOM 1411 CG LEU A 98 4.164 9.681 -2.033 1.00 0.00 C ATOM 1412 CD1 LEU A 98 3.181 8.627 -1.536 1.00 0.00 C ATOM 1413 CD2 LEU A 98 3.403 10.826 -2.698 1.00 0.00 C ATOM 0 H LEU A 98 4.337 8.403 0.578 1.00 0.00 H new ATOM 0 HA LEU A 98 6.559 8.860 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.336 10.447 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.481 11.150 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 98 4.836 9.226 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.599 8.247 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.730 7.806 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.510 9.073 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.819 10.438 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.735 11.289 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.111 11.569 -3.065 1.00 0.00 H new ATOM 1425 N MET A 99 8.024 8.913 0.792 1.00 0.00 N ATOM 1426 CA MET A 99 9.005 9.243 1.860 1.00 0.00 C ATOM 1427 C MET A 99 10.019 10.307 1.432 1.00 0.00 C ATOM 1428 O MET A 99 10.245 11.274 2.127 1.00 0.00 O ATOM 1429 CB MET A 99 9.723 7.926 2.145 1.00 0.00 C ATOM 1430 CG MET A 99 10.541 8.064 3.430 1.00 0.00 C ATOM 1431 SD MET A 99 9.432 8.429 4.815 1.00 0.00 S ATOM 1432 CE MET A 99 8.639 6.807 4.941 1.00 0.00 C ATOM 0 H MET A 99 8.230 8.062 0.268 1.00 0.00 H new ATOM 0 HA MET A 99 8.498 9.661 2.730 1.00 0.00 H new ATOM 0 HB2 MET A 99 8.998 7.118 2.247 1.00 0.00 H new ATOM 0 HB3 MET A 99 10.375 7.666 1.311 1.00 0.00 H new ATOM 0 HG2 MET A 99 11.092 7.144 3.624 1.00 0.00 H new ATOM 0 HG3 MET A 99 11.278 8.860 3.321 1.00 0.00 H new ATOM 0 HE1 MET A 99 7.588 6.893 4.664 1.00 0.00 H new ATOM 0 HE2 MET A 99 9.135 6.106 4.270 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.715 6.443 5.966 1.00 0.00 H new ATOM 1442 N TYR A 100 10.655 10.116 0.307 1.00 0.00 N ATOM 1443 CA TYR A 100 11.669 11.097 -0.159 1.00 0.00 C ATOM 1444 C TYR A 100 11.031 12.441 -0.528 1.00 0.00 C ATOM 1445 O TYR A 100 11.598 13.485 -0.213 1.00 0.00 O ATOM 1446 CB TYR A 100 12.340 10.484 -1.387 1.00 0.00 C ATOM 1447 CG TYR A 100 13.148 9.311 -0.942 1.00 0.00 C ATOM 1448 CD1 TYR A 100 14.495 9.494 -0.532 1.00 0.00 C ATOM 1449 CD2 TYR A 100 12.567 8.021 -0.932 1.00 0.00 C ATOM 1450 CE1 TYR A 100 15.262 8.385 -0.114 1.00 0.00 C ATOM 1451 CE2 TYR A 100 13.339 6.901 -0.515 1.00 0.00 C ATOM 1452 CZ TYR A 100 14.683 7.084 -0.105 1.00 0.00 C ATOM 1453 OH TYR A 100 15.439 6.002 0.285 1.00 0.00 O ATOM 0 H TYR A 100 10.512 9.317 -0.311 1.00 0.00 H new ATOM 0 HA TYR A 100 12.387 11.298 0.636 1.00 0.00 H new ATOM 0 HB2 TYR A 100 11.590 10.174 -2.115 1.00 0.00 H new ATOM 0 HB3 TYR A 100 12.977 11.219 -1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 100 14.933 10.481 -0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 100 11.541 7.887 -1.240 1.00 0.00 H new ATOM 0 HE1 TYR A 100 16.287 8.523 0.199 1.00 0.00 H new ATOM 0 HE2 TYR A 100 12.902 5.914 -0.511 1.00 0.00 H new ATOM 0 HH TYR A 100 14.895 5.188 0.236 1.00 0.00 H new ATOM 1463 N PRO A 101 9.873 12.437 -1.172 1.00 0.00 N ATOM 1464 CA PRO A 101 9.265 13.749 -1.585 1.00 0.00 C ATOM 1465 C PRO A 101 8.406 14.323 -0.438 1.00 0.00 C ATOM 1466 O PRO A 101 7.432 13.660 0.010 1.00 0.00 O ATOM 1467 CB PRO A 101 8.410 13.393 -2.765 1.00 0.00 C ATOM 1468 CG PRO A 101 8.087 11.922 -2.618 1.00 0.00 C ATOM 1469 CD PRO A 101 9.078 11.302 -1.655 1.00 0.00 C ATOM 0 HA PRO A 101 10.009 14.509 -1.823 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.500 13.992 -2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.936 13.585 -3.700 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.070 11.793 -2.248 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.139 11.425 -3.587 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.571 10.794 -0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 101 9.704 10.560 -2.151 1.00 0.00 H new ATOM 1477 N PRO A 102 8.742 15.525 0.040 1.00 0.00 N ATOM 1478 CA PRO A 102 7.983 16.022 1.122 1.00 0.00 C ATOM 1479 C PRO A 102 6.835 17.058 0.514 1.00 0.00 C ATOM 1480 O PRO A 102 7.192 17.585 -0.465 1.00 0.00 O ATOM 1481 CB PRO A 102 9.051 16.871 1.922 1.00 0.00 C ATOM 1482 CG PRO A 102 10.043 17.269 0.814 1.00 0.00 C ATOM 1483 CD PRO A 102 9.897 16.366 -0.288 1.00 0.00 C ATOM 0 HA PRO A 102 7.488 15.255 1.717 1.00 0.00 H new ATOM 0 HB2 PRO A 102 8.604 17.742 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 102 9.530 16.287 2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 102 9.855 18.292 0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 102 11.064 17.238 1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 102 9.735 16.908 -1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 102 10.795 15.763 -0.422 1.00 0.00 H new ATOM 1491 N PRO A 103 5.629 17.388 1.275 1.00 0.00 N ATOM 1492 CA PRO A 103 5.900 16.403 2.397 1.00 0.00 C ATOM 1493 C PRO A 103 5.266 14.894 2.308 1.00 0.00 C ATOM 1494 O PRO A 103 4.481 14.556 1.472 1.00 0.00 O ATOM 1495 CB PRO A 103 5.461 17.095 3.640 1.00 0.00 C ATOM 1496 CG PRO A 103 4.399 17.968 3.161 1.00 0.00 C ATOM 1497 CD PRO A 103 4.113 17.414 1.832 1.00 0.00 C ATOM 0 HA PRO A 103 6.962 16.164 2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.100 16.391 4.389 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.273 17.659 4.098 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.524 17.938 3.811 1.00 0.00 H new ATOM 0 HG3 PRO A 103 4.721 19.008 3.107 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.656 16.425 1.872 1.00 0.00 H new ATOM 0 HD3 PRO A 103 3.452 18.047 1.240 1.00 0.00 H new ATOM 1505 N TYR A 104 5.685 14.030 3.219 1.00 0.00 N ATOM 1506 CA TYR A 104 5.162 12.596 3.273 1.00 0.00 C ATOM 1507 C TYR A 104 3.729 12.543 3.834 1.00 0.00 C ATOM 1508 O TYR A 104 3.447 13.044 4.911 1.00 0.00 O ATOM 1509 CB TYR A 104 6.157 11.874 4.197 1.00 0.00 C ATOM 1510 CG TYR A 104 5.660 10.481 4.464 1.00 0.00 C ATOM 1511 CD1 TYR A 104 4.976 9.750 3.442 1.00 0.00 C ATOM 1512 CD2 TYR A 104 5.892 9.883 5.723 1.00 0.00 C ATOM 1513 CE1 TYR A 104 4.533 8.430 3.685 1.00 0.00 C ATOM 1514 CE2 TYR A 104 5.446 8.562 5.974 1.00 0.00 C ATOM 1515 CZ TYR A 104 4.769 7.837 4.948 1.00 0.00 C ATOM 1516 OH TYR A 104 4.351 6.547 5.191 1.00 0.00 O ATOM 0 H TYR A 104 6.374 14.252 3.938 1.00 0.00 H new ATOM 0 HA TYR A 104 5.100 12.135 2.287 1.00 0.00 H new ATOM 0 HB2 TYR A 104 7.143 11.839 3.733 1.00 0.00 H new ATOM 0 HB3 TYR A 104 6.265 12.421 5.134 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.797 10.209 2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 104 6.410 10.433 6.495 1.00 0.00 H new ATOM 0 HE1 TYR A 104 4.018 7.878 2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.618 8.106 6.938 1.00 0.00 H new ATOM 0 HH TYR A 104 4.893 6.157 5.909 1.00 0.00 H new ATOM 1526 N TYR A 105 2.834 11.942 3.080 1.00 0.00 N ATOM 1527 CA TYR A 105 1.417 11.847 3.504 1.00 0.00 C ATOM 1528 C TYR A 105 0.725 10.610 2.892 1.00 0.00 C ATOM 1529 O TYR A 105 -0.261 10.730 2.177 1.00 0.00 O ATOM 1530 CB TYR A 105 0.823 13.101 2.914 1.00 0.00 C ATOM 1531 CG TYR A 105 -0.540 13.302 3.465 1.00 0.00 C ATOM 1532 CD1 TYR A 105 -0.695 13.801 4.778 1.00 0.00 C ATOM 1533 CD2 TYR A 105 -1.654 13.010 2.665 1.00 0.00 C ATOM 1534 CE1 TYR A 105 -1.998 14.010 5.303 1.00 0.00 C ATOM 1535 CE2 TYR A 105 -2.959 13.214 3.174 1.00 0.00 C ATOM 1536 CZ TYR A 105 -3.135 13.718 4.499 1.00 0.00 C ATOM 1537 OH TYR A 105 -4.399 13.906 5.004 1.00 0.00 O ATOM 0 H TYR A 105 3.039 11.511 2.179 1.00 0.00 H new ATOM 0 HA TYR A 105 1.302 11.752 4.584 1.00 0.00 H new ATOM 0 HB2 TYR A 105 1.452 13.960 3.147 1.00 0.00 H new ATOM 0 HB3 TYR A 105 0.781 13.021 1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 105 0.174 14.023 5.380 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -1.517 12.630 1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -2.125 14.388 6.307 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.820 12.989 2.562 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.062 13.660 4.326 1.00 0.00 H new ATOM 1547 N LEU A 106 1.212 9.436 3.171 1.00 0.00 N ATOM 1548 CA LEU A 106 0.579 8.201 2.603 1.00 0.00 C ATOM 1549 C LEU A 106 0.349 7.188 3.718 1.00 0.00 C ATOM 1550 O LEU A 106 0.177 7.568 4.860 1.00 0.00 O ATOM 1551 CB LEU A 106 1.557 7.671 1.544 1.00 0.00 C ATOM 1552 CG LEU A 106 0.834 7.498 0.188 1.00 0.00 C ATOM 1553 CD1 LEU A 106 -0.352 6.524 0.328 1.00 0.00 C ATOM 1554 CD2 LEU A 106 0.318 8.862 -0.298 1.00 0.00 C ATOM 0 H LEU A 106 2.022 9.271 3.768 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.393 8.400 2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.393 8.361 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.972 6.716 1.867 1.00 0.00 H new ATOM 0 HG LEU A 106 1.541 7.091 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.849 6.415 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.013 5.552 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.060 6.915 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.191 8.739 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.379 9.270 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.158 9.546 -0.420 1.00 0.00 H new ATOM 1566 N GLY A 108 0.327 5.911 3.415 1.00 0.00 N ATOM 1567 CA GLY A 108 0.092 4.905 4.497 1.00 0.00 C ATOM 1568 C GLY A 108 0.515 3.519 4.019 1.00 0.00 C ATOM 1569 O GLY A 108 1.164 3.367 3.006 1.00 0.00 O ATOM 0 H GLY A 108 0.460 5.527 2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.655 5.179 5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.962 4.897 4.776 1.00 0.00 H new ATOM 1573 N ILE A 109 0.155 2.502 4.762 1.00 0.00 N ATOM 1574 CA ILE A 109 0.540 1.120 4.386 1.00 0.00 C ATOM 1575 C ILE A 109 -0.706 0.244 4.225 1.00 0.00 C ATOM 1576 O ILE A 109 -1.729 0.487 4.840 1.00 0.00 O ATOM 1577 CB ILE A 109 1.386 0.646 5.546 1.00 0.00 C ATOM 1578 CG1 ILE A 109 2.638 1.512 5.605 1.00 0.00 C ATOM 1579 CG2 ILE A 109 1.779 -0.824 5.349 1.00 0.00 C ATOM 1580 CD1 ILE A 109 3.402 1.150 6.849 1.00 0.00 C ATOM 0 H ILE A 109 -0.394 2.578 5.619 1.00 0.00 H new ATOM 0 HA ILE A 109 1.073 1.072 3.436 1.00 0.00 H new ATOM 0 HB ILE A 109 0.823 0.729 6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.254 1.351 4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.369 2.568 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 109 2.388 -1.154 6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.879 -1.436 5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 109 2.349 -0.928 4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 109 4.304 1.759 6.912 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.779 1.333 7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 109 3.677 0.096 6.813 1.00 0.00 H new ATOM 1592 N GLY A 110 -0.618 -0.797 3.440 1.00 0.00 N ATOM 1593 CA GLY A 110 -1.791 -1.703 3.299 1.00 0.00 C ATOM 1594 C GLY A 110 -1.787 -2.643 4.505 1.00 0.00 C ATOM 1595 O GLY A 110 -0.743 -3.112 4.917 1.00 0.00 O ATOM 0 H GLY A 110 0.206 -1.056 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.717 -1.130 3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.729 -2.270 2.370 1.00 0.00 H new ATOM 1599 N ASN A 111 -2.932 -2.918 5.085 1.00 0.00 N ATOM 1600 CA ASN A 111 -2.956 -3.819 6.280 1.00 0.00 C ATOM 1601 C ASN A 111 -2.399 -5.199 5.916 1.00 0.00 C ATOM 1602 O ASN A 111 -1.801 -5.868 6.738 1.00 0.00 O ATOM 1603 CB ASN A 111 -4.422 -3.894 6.725 1.00 0.00 C ATOM 1604 CG ASN A 111 -4.837 -2.564 7.389 1.00 0.00 C ATOM 1605 OD1 ASN A 111 -3.910 -1.856 7.995 1.00 0.00 O flip ATOM 1606 ND2 ASN A 111 -5.990 -2.183 7.350 1.00 0.00 N flip ATOM 0 H ASN A 111 -3.840 -2.562 4.787 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.331 -3.442 7.089 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.062 -4.097 5.866 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.557 -4.718 7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -6.697 -2.745 6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.251 -1.301 7.792 1.00 0.00 H new ATOM 1612 N GLY A 112 -2.555 -5.608 4.682 1.00 0.00 N ATOM 1613 CA GLY A 112 -1.998 -6.923 4.254 1.00 0.00 C ATOM 1614 C GLY A 112 -3.087 -7.847 3.721 1.00 0.00 C ATOM 1615 O GLY A 112 -4.208 -7.859 4.189 1.00 0.00 O ATOM 0 H GLY A 112 -3.044 -5.087 3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.244 -6.766 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.497 -7.398 5.097 1.00 0.00 H new ATOM 1619 N THR A 113 -2.731 -8.642 2.749 1.00 0.00 N ATOM 1620 CA THR A 113 -3.687 -9.616 2.157 1.00 0.00 C ATOM 1621 C THR A 113 -3.196 -11.026 2.478 1.00 0.00 C ATOM 1622 O THR A 113 -2.038 -11.337 2.261 1.00 0.00 O ATOM 1623 CB THR A 113 -3.604 -9.384 0.645 1.00 0.00 C ATOM 1624 OG1 THR A 113 -3.970 -8.045 0.343 1.00 0.00 O ATOM 1625 CG2 THR A 113 -4.535 -10.362 -0.083 1.00 0.00 C ATOM 0 H THR A 113 -1.800 -8.656 2.334 1.00 0.00 H new ATOM 0 HA THR A 113 -4.703 -9.499 2.535 1.00 0.00 H new ATOM 0 HB THR A 113 -2.581 -9.555 0.311 1.00 0.00 H new ATOM 0 HG1 THR A 113 -4.774 -7.804 0.848 1.00 0.00 H new ATOM 0 HG21 THR A 113 -4.472 -10.193 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 113 -4.235 -11.386 0.141 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.561 -10.204 0.250 1.00 0.00 H new ATOM 1633 N GLN A 114 -4.050 -11.885 2.964 1.00 0.00 N ATOM 1634 CA GLN A 114 -3.592 -13.272 3.257 1.00 0.00 C ATOM 1635 C GLN A 114 -3.589 -14.059 1.948 1.00 0.00 C ATOM 1636 O GLN A 114 -4.604 -14.191 1.303 1.00 0.00 O ATOM 1637 CB GLN A 114 -4.607 -13.844 4.256 1.00 0.00 C ATOM 1638 CG GLN A 114 -4.122 -15.205 4.764 1.00 0.00 C ATOM 1639 CD GLN A 114 -3.388 -15.029 6.096 1.00 0.00 C ATOM 1640 OE1 GLN A 114 -3.594 -14.057 6.797 1.00 0.00 O ATOM 1641 NE2 GLN A 114 -2.541 -15.941 6.483 1.00 0.00 N ATOM 0 H GLN A 114 -5.030 -11.691 3.168 1.00 0.00 H new ATOM 0 HA GLN A 114 -2.587 -13.317 3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -4.735 -13.157 5.093 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.581 -13.949 3.779 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -4.969 -15.879 4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -3.458 -15.662 4.030 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -2.367 -16.757 5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.052 -15.839 7.372 1.00 0.00 H new ATOM 1650 N ILE A 115 -2.456 -14.567 1.534 1.00 0.00 N ATOM 1651 CA ILE A 115 -2.419 -15.333 0.255 1.00 0.00 C ATOM 1652 C ILE A 115 -2.768 -16.801 0.538 1.00 0.00 C ATOM 1653 O ILE A 115 -2.089 -17.477 1.298 1.00 0.00 O ATOM 1654 CB ILE A 115 -0.985 -15.177 -0.284 1.00 0.00 C ATOM 1655 CG1 ILE A 115 -0.769 -13.729 -0.733 1.00 0.00 C ATOM 1656 CG2 ILE A 115 -0.761 -16.105 -1.485 1.00 0.00 C ATOM 1657 CD1 ILE A 115 0.720 -13.482 -0.988 1.00 0.00 C ATOM 0 H ILE A 115 -1.564 -14.485 2.022 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.139 -14.971 -0.479 1.00 0.00 H new ATOM 0 HB ILE A 115 -0.283 -15.438 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.340 -13.531 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.135 -13.043 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 115 0.257 -15.983 -1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -0.914 -17.140 -1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.467 -15.853 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.868 -12.450 -1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 115 1.281 -13.662 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 115 1.073 -14.157 -1.768 1.00 0.00 H new ATOM 1669 N TYR A 116 -3.823 -17.285 -0.073 1.00 0.00 N ATOM 1670 CA TYR A 116 -4.249 -18.703 0.128 1.00 0.00 C ATOM 1671 C TYR A 116 -3.611 -19.604 -0.929 1.00 0.00 C ATOM 1672 O TYR A 116 -3.845 -19.436 -2.112 1.00 0.00 O ATOM 1673 CB TYR A 116 -5.779 -18.706 -0.078 1.00 0.00 C ATOM 1674 CG TYR A 116 -6.559 -18.227 1.151 1.00 0.00 C ATOM 1675 CD1 TYR A 116 -5.924 -18.010 2.414 1.00 0.00 C ATOM 1676 CD2 TYR A 116 -7.969 -18.022 1.033 1.00 0.00 C ATOM 1677 CE1 TYR A 116 -6.691 -17.598 3.536 1.00 0.00 C ATOM 1678 CE2 TYR A 116 -8.731 -17.608 2.154 1.00 0.00 C ATOM 1679 CZ TYR A 116 -8.094 -17.398 3.408 1.00 0.00 C ATOM 1680 OH TYR A 116 -8.836 -16.998 4.500 1.00 0.00 O ATOM 0 H TYR A 116 -4.413 -16.750 -0.710 1.00 0.00 H new ATOM 0 HA TYR A 116 -3.953 -19.069 1.111 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.025 -18.068 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.102 -19.715 -0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -4.859 -18.160 2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -8.457 -18.184 0.083 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -6.208 -17.436 4.488 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -9.795 -17.452 2.056 1.00 0.00 H new ATOM 0 HH TYR A 116 -9.777 -16.907 4.241 1.00 0.00 H new ATOM 1690 N VAL A 117 -2.836 -20.576 -0.517 1.00 0.00 N ATOM 1691 CA VAL A 117 -2.225 -21.501 -1.514 1.00 0.00 C ATOM 1692 C VAL A 117 -3.229 -22.603 -1.844 1.00 0.00 C ATOM 1693 O VAL A 117 -4.225 -22.775 -1.167 1.00 0.00 O ATOM 1694 CB VAL A 117 -0.969 -22.085 -0.859 1.00 0.00 C ATOM 1695 CG1 VAL A 117 -0.339 -23.128 -1.799 1.00 0.00 C ATOM 1696 CG2 VAL A 117 0.036 -20.960 -0.605 1.00 0.00 C ATOM 0 H VAL A 117 -2.603 -20.766 0.458 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.964 -20.992 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 117 -1.236 -22.560 0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 117 0.555 -23.544 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.056 -23.927 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.069 -22.652 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.932 -21.371 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.303 -20.490 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.409 -20.217 0.057 1.00 0.00 H new