USER MOD reduce.3.24.130724 H: found=0, std=0, add=1497, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1498 hydrogens (22 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 191 GLC O2 : rot 122:sc= 0.358 USER MOD Set 1.2: A 192 BGC O3 : rot 173:sc= 0.0276 USER MOD Set 2.1: A 15 ASN :FLIP amide:sc= -1.13 F(o=-1.2,f=-0.24) USER MOD Set 2.2: A 63 THR OG1 : rot -80:sc= 0.888 USER MOD Set 3.1: A 58 GLN : amide:sc= -0.819 K(o=-0.62,f=-1.2) USER MOD Set 3.2: A 62 GLN :FLIP amide:sc= 0.196 F(o=-1.2,f=-0.62) USER MOD Set 4.1: A 20 SER OG : rot -66:sc= 0.391 USER MOD Set 4.2: A 28 HIS : no HE2:sc= 0.0157 X(o=0.41,f=0.11) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.653 X(o=-0.65,f=-0.23) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 102:sc= -0.893 USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= -0.0435 (180deg=-0.165) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 90:sc= -0.0308 USER MOD Single : A 54 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.012) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.858 USER MOD Single : A 88 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0175) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0508 USER MOD Single : A 96 GLN : amide:sc= -0.0432 X(o=-0.043,f=-0.0047) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.31) USER MOD Single : A 100 LYS NZ :NH3+ 143:sc= 0.0178 (180deg=-0.796) USER MOD Single : A 107 ASN : amide:sc= -2.76! C(o=-2.8!,f=-6.1!) USER MOD Single : A 109 HIS : no HE2:sc= 0.076 K(o=0.076,f=-0.5) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -169:sc= -0.0436 (180deg=-0.165) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -14:sc= 0.645 USER MOD Single : A 127 HIS : no HD1:sc= -0.0377 X(o=-0.038,f=-0.082) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0802) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 SER OG : rot 32:sc= 0.0459 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot -70:sc= 0.71 USER MOD Single : A 159 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0998) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -6.8! C(o=-6.8!,f=-7.1!) USER MOD Single : A 166 LYS NZ :NH3+ -153:sc= -2.44! (180deg=-4.05!) USER MOD Single : A 168 CYS SG : rot 81:sc= 0 USER MOD Single : A 173 MET CE :methyl 155:sc= -0.254 (180deg=-1.05) USER MOD Single : A 174 LYS NZ :NH3+ -160:sc= -0.0968 (180deg=-0.521) USER MOD Single : A 176 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 HIS : no HE2:sc= 0.139 K(o=0.14,f=-2.2) USER MOD Single : A 191 GLC O3 : rot 3:sc= -0.529 USER MOD Single : A 191 GLC O4 : rot 112:sc= 0.639 USER MOD Single : A 191 GLC O6 : rot -16:sc= 0.304 USER MOD Single : A 192 BGC O1 : rot 180:sc= 0 USER MOD Single : A 192 BGC O2 : rot 180:sc= 0 USER MOD Single : A 192 BGC O6 : rot -13:sc= 0.327 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.157 -18.264 -5.761 1.00 8.93 N ATOM 2 CA GLY A 1 23.308 -19.250 -6.485 1.00 8.42 C ATOM 3 C GLY A 1 21.862 -19.217 -6.029 1.00 7.62 C ATOM 4 O GLY A 1 20.969 -18.875 -6.808 1.00 7.93 O ATOM 0 H1 GLY A 1 25.135 -18.326 -6.109 1.00 8.93 H new ATOM 0 H2 GLY A 1 23.792 -17.304 -5.925 1.00 8.93 H new ATOM 0 H3 GLY A 1 24.138 -18.472 -4.742 1.00 8.93 H new ATOM 0 HA2 GLY A 1 23.353 -19.047 -7.555 1.00 8.42 H new ATOM 0 HA3 GLY A 1 23.711 -20.252 -6.334 1.00 8.42 H new ATOM 10 N ALA A 2 21.634 -19.581 -4.741 1.00 6.82 N ATOM 11 CA ALA A 2 20.279 -19.602 -4.133 1.00 6.18 C ATOM 12 C ALA A 2 20.107 -18.486 -3.060 1.00 5.26 C ATOM 13 O ALA A 2 20.950 -18.312 -2.160 1.00 5.28 O ATOM 14 CB ALA A 2 19.974 -21.004 -3.537 1.00 6.51 C ATOM 0 H ALA A 2 22.376 -19.865 -4.101 1.00 6.82 H new ATOM 0 HA ALA A 2 19.557 -19.397 -4.924 1.00 6.18 H new ATOM 0 HB1 ALA A 2 18.977 -21.003 -3.095 1.00 6.51 H new ATOM 0 HB2 ALA A 2 20.020 -21.753 -4.327 1.00 6.51 H new ATOM 0 HB3 ALA A 2 20.711 -21.241 -2.769 1.00 6.51 H new ATOM 20 N MET A 3 19.010 -17.709 -3.194 1.00 4.80 N ATOM 21 CA MET A 3 18.701 -16.603 -2.267 1.00 4.18 C ATOM 22 C MET A 3 17.224 -16.615 -1.843 1.00 3.48 C ATOM 23 O MET A 3 16.324 -16.402 -2.666 1.00 3.94 O ATOM 24 CB MET A 3 19.042 -15.246 -2.920 1.00 4.96 C ATOM 25 CG MET A 3 20.547 -14.945 -3.031 1.00 5.72 C ATOM 26 SD MET A 3 20.895 -13.471 -4.016 1.00 6.64 S ATOM 27 CE MET A 3 21.106 -14.168 -5.656 1.00 7.64 C ATOM 0 H MET A 3 18.323 -17.830 -3.938 1.00 4.80 H new ATOM 0 HA MET A 3 19.312 -16.743 -1.375 1.00 4.18 H new ATOM 0 HB2 MET A 3 18.606 -15.219 -3.918 1.00 4.96 H new ATOM 0 HB3 MET A 3 18.568 -14.452 -2.343 1.00 4.96 H new ATOM 0 HG2 MET A 3 20.962 -14.815 -2.031 1.00 5.72 H new ATOM 0 HG3 MET A 3 21.052 -15.802 -3.476 1.00 5.72 H new ATOM 0 HE1 MET A 3 21.326 -13.370 -6.365 1.00 7.64 H new ATOM 0 HE2 MET A 3 21.931 -14.881 -5.645 1.00 7.64 H new ATOM 0 HE3 MET A 3 20.190 -14.677 -5.955 1.00 7.64 H new ATOM 37 N SER A 4 16.989 -16.863 -0.541 1.00 2.65 N ATOM 38 CA SER A 4 15.629 -16.909 0.029 1.00 2.27 C ATOM 39 C SER A 4 15.582 -16.286 1.435 1.00 1.31 C ATOM 40 O SER A 4 16.203 -16.798 2.376 1.00 0.88 O ATOM 41 CB SER A 4 15.114 -18.356 0.088 1.00 2.95 C ATOM 42 OG SER A 4 14.552 -18.760 -1.152 1.00 3.86 O ATOM 0 H SER A 4 17.728 -17.036 0.140 1.00 2.65 H new ATOM 0 HA SER A 4 14.985 -16.323 -0.627 1.00 2.27 H new ATOM 0 HB2 SER A 4 15.934 -19.024 0.352 1.00 2.95 H new ATOM 0 HB3 SER A 4 14.364 -18.445 0.874 1.00 2.95 H new ATOM 0 HG SER A 4 14.236 -19.685 -1.082 1.00 3.86 H new ATOM 48 N GLY A 5 14.832 -15.180 1.562 1.00 1.11 N ATOM 49 CA GLY A 5 14.702 -14.490 2.846 1.00 0.31 C ATOM 50 C GLY A 5 14.058 -13.116 2.726 1.00 0.28 C ATOM 51 O GLY A 5 14.753 -12.116 2.549 1.00 0.31 O ATOM 0 H GLY A 5 14.312 -14.751 0.796 1.00 1.11 H new ATOM 0 HA2 GLY A 5 14.108 -15.104 3.523 1.00 0.31 H new ATOM 0 HA3 GLY A 5 15.689 -14.383 3.295 1.00 0.31 H new ATOM 55 N LEU A 6 12.708 -13.077 2.824 1.00 0.23 N ATOM 56 CA LEU A 6 11.910 -11.822 2.743 1.00 0.22 C ATOM 57 C LEU A 6 11.721 -11.116 4.128 1.00 0.17 C ATOM 58 O LEU A 6 11.857 -9.882 4.240 1.00 0.16 O ATOM 59 CB LEU A 6 10.550 -12.145 2.072 1.00 0.24 C ATOM 60 CG LEU A 6 9.656 -10.943 1.654 1.00 0.27 C ATOM 61 CD1 LEU A 6 10.383 -9.913 0.785 1.00 0.33 C ATOM 62 CD2 LEU A 6 8.375 -11.382 0.932 1.00 0.35 C ATOM 0 H LEU A 6 12.138 -13.912 2.961 1.00 0.23 H new ATOM 0 HA LEU A 6 12.463 -11.104 2.137 1.00 0.22 H new ATOM 0 HB2 LEU A 6 10.747 -12.744 1.183 1.00 0.24 H new ATOM 0 HB3 LEU A 6 9.976 -12.770 2.757 1.00 0.24 H new ATOM 0 HG LEU A 6 9.392 -10.468 2.599 1.00 0.27 H new ATOM 0 HD11 LEU A 6 9.699 -9.103 0.531 1.00 0.33 H new ATOM 0 HD12 LEU A 6 11.234 -9.510 1.334 1.00 0.33 H new ATOM 0 HD13 LEU A 6 10.734 -10.391 -0.129 1.00 0.33 H new ATOM 0 HD21 LEU A 6 7.789 -10.503 0.663 1.00 0.35 H new ATOM 0 HD22 LEU A 6 8.637 -11.933 0.029 1.00 0.35 H new ATOM 0 HD23 LEU A 6 7.788 -12.022 1.590 1.00 0.35 H new ATOM 74 N ALA A 7 11.396 -11.933 5.174 1.00 0.17 N ATOM 75 CA ALA A 7 11.230 -11.505 6.612 1.00 0.16 C ATOM 76 C ALA A 7 12.507 -10.839 7.265 1.00 0.15 C ATOM 77 O ALA A 7 12.393 -10.059 8.222 1.00 0.15 O ATOM 78 CB ALA A 7 10.793 -12.735 7.439 1.00 0.20 C ATOM 0 H ALA A 7 11.237 -12.932 5.045 1.00 0.17 H new ATOM 0 HA ALA A 7 10.473 -10.720 6.617 1.00 0.16 H new ATOM 0 HB1 ALA A 7 10.668 -12.446 8.482 1.00 0.20 H new ATOM 0 HB2 ALA A 7 9.848 -13.117 7.052 1.00 0.20 H new ATOM 0 HB3 ALA A 7 11.555 -13.511 7.367 1.00 0.20 H new ATOM 84 N ASP A 8 13.720 -11.142 6.708 1.00 0.16 N ATOM 85 CA ASP A 8 15.012 -10.567 7.166 1.00 0.18 C ATOM 86 C ASP A 8 15.365 -9.197 6.492 1.00 0.17 C ATOM 87 O ASP A 8 16.305 -8.524 6.924 1.00 0.21 O ATOM 88 CB ASP A 8 16.152 -11.569 6.918 1.00 0.21 C ATOM 89 CG ASP A 8 16.518 -12.377 8.158 1.00 0.26 C ATOM 90 OD1 ASP A 8 15.915 -13.450 8.369 1.00 0.31 O ATOM 91 OD2 ASP A 8 17.410 -11.934 8.914 1.00 0.32 O ATOM 0 H ASP A 8 13.822 -11.793 5.929 1.00 0.16 H new ATOM 0 HA ASP A 8 14.897 -10.372 8.232 1.00 0.18 H new ATOM 0 HB2 ASP A 8 15.861 -12.252 6.120 1.00 0.21 H new ATOM 0 HB3 ASP A 8 17.033 -11.029 6.570 1.00 0.21 H new ATOM 96 N LYS A 9 14.600 -8.795 5.436 1.00 0.14 N ATOM 97 CA LYS A 9 14.830 -7.513 4.721 1.00 0.14 C ATOM 98 C LYS A 9 13.766 -6.428 5.046 1.00 0.10 C ATOM 99 O LYS A 9 14.052 -5.246 4.840 1.00 0.10 O ATOM 100 CB LYS A 9 14.912 -7.691 3.175 1.00 0.19 C ATOM 101 CG LYS A 9 15.335 -9.099 2.684 1.00 0.32 C ATOM 102 CD LYS A 9 16.819 -9.455 2.992 1.00 0.92 C ATOM 103 CE LYS A 9 17.828 -8.779 2.042 1.00 1.20 C ATOM 104 NZ LYS A 9 19.215 -9.262 2.287 1.00 1.73 N ATOM 0 H LYS A 9 13.822 -9.341 5.066 1.00 0.14 H new ATOM 0 HA LYS A 9 15.796 -7.171 5.091 1.00 0.14 H new ATOM 0 HB2 LYS A 9 13.937 -7.455 2.748 1.00 0.19 H new ATOM 0 HB3 LYS A 9 15.619 -6.961 2.780 1.00 0.19 H new ATOM 0 HG2 LYS A 9 14.689 -9.844 3.148 1.00 0.32 H new ATOM 0 HG3 LYS A 9 15.172 -9.162 1.608 1.00 0.32 H new ATOM 0 HD2 LYS A 9 17.048 -9.165 4.017 1.00 0.92 H new ATOM 0 HD3 LYS A 9 16.944 -10.536 2.931 1.00 0.92 H new ATOM 0 HE2 LYS A 9 17.548 -8.982 1.008 1.00 1.20 H new ATOM 0 HE3 LYS A 9 17.789 -7.698 2.177 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 19.869 -8.788 1.632 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 19.490 -9.046 3.267 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 19.257 -10.290 2.134 1.00 1.73 H new ATOM 118 N VAL A 10 12.525 -6.817 5.532 1.00 0.09 N ATOM 119 CA VAL A 10 11.431 -5.840 5.933 1.00 0.07 C ATOM 120 C VAL A 10 11.870 -4.716 6.981 1.00 0.06 C ATOM 121 O VAL A 10 12.561 -4.995 7.969 1.00 0.09 O ATOM 122 CB VAL A 10 10.096 -6.647 6.377 1.00 0.08 C ATOM 123 CG1 VAL A 10 10.162 -7.392 7.752 1.00 0.11 C ATOM 124 CG2 VAL A 10 8.805 -5.776 6.321 1.00 0.10 C ATOM 0 H VAL A 10 12.260 -7.794 5.654 1.00 0.09 H new ATOM 0 HA VAL A 10 11.202 -5.255 5.042 1.00 0.07 H new ATOM 0 HB VAL A 10 10.047 -7.425 5.615 1.00 0.08 H new ATOM 0 HG11 VAL A 10 9.213 -7.894 7.940 1.00 0.11 H new ATOM 0 HG12 VAL A 10 10.964 -8.130 7.728 1.00 0.11 H new ATOM 0 HG13 VAL A 10 10.355 -6.672 8.547 1.00 0.11 H new ATOM 0 HG21 VAL A 10 7.948 -6.375 6.630 1.00 0.10 H new ATOM 0 HG22 VAL A 10 8.912 -4.923 6.991 1.00 0.10 H new ATOM 0 HG23 VAL A 10 8.650 -5.420 5.303 1.00 0.10 H new ATOM 134 N ILE A 11 11.445 -3.470 6.701 1.00 0.06 N ATOM 135 CA ILE A 11 11.748 -2.316 7.592 1.00 0.07 C ATOM 136 C ILE A 11 10.465 -1.603 8.080 1.00 0.07 C ATOM 137 O ILE A 11 10.437 -1.071 9.193 1.00 0.08 O ATOM 138 CB ILE A 11 12.699 -1.235 6.934 1.00 0.10 C ATOM 139 CG1 ILE A 11 12.304 -0.952 5.441 1.00 0.10 C ATOM 140 CG2 ILE A 11 14.201 -1.647 7.067 1.00 0.13 C ATOM 141 CD1 ILE A 11 12.239 0.529 5.054 1.00 0.16 C ATOM 0 H ILE A 11 10.896 -3.230 5.876 1.00 0.06 H new ATOM 0 HA ILE A 11 12.271 -2.763 8.438 1.00 0.07 H new ATOM 0 HB ILE A 11 12.567 -0.302 7.482 1.00 0.10 H new ATOM 0 HG12 ILE A 11 13.023 -1.450 4.791 1.00 0.10 H new ATOM 0 HG13 ILE A 11 11.332 -1.405 5.247 1.00 0.10 H new ATOM 0 HG21 ILE A 11 14.829 -0.885 6.606 1.00 0.13 H new ATOM 0 HG22 ILE A 11 14.460 -1.742 8.121 1.00 0.13 H new ATOM 0 HG23 ILE A 11 14.362 -2.602 6.567 1.00 0.13 H new ATOM 0 HD11 ILE A 11 11.958 0.619 4.005 1.00 0.16 H new ATOM 0 HD12 ILE A 11 11.497 1.034 5.672 1.00 0.16 H new ATOM 0 HD13 ILE A 11 13.215 0.989 5.209 1.00 0.16 H new ATOM 153 N TRP A 12 9.409 -1.606 7.235 1.00 0.06 N ATOM 154 CA TRP A 12 8.143 -0.934 7.541 1.00 0.07 C ATOM 155 C TRP A 12 6.987 -1.518 6.680 1.00 0.08 C ATOM 156 O TRP A 12 7.025 -1.428 5.460 1.00 0.10 O ATOM 157 CB TRP A 12 8.359 0.563 7.259 1.00 0.10 C ATOM 158 CG TRP A 12 7.445 1.489 7.992 1.00 0.09 C ATOM 159 CD1 TRP A 12 7.709 2.252 9.096 1.00 0.19 C ATOM 160 CD2 TRP A 12 6.104 1.737 7.638 1.00 0.22 C ATOM 161 NE1 TRP A 12 6.586 2.963 9.440 1.00 0.26 N ATOM 162 CE2 TRP A 12 5.586 2.654 8.555 1.00 0.30 C ATOM 163 CE3 TRP A 12 5.295 1.256 6.623 1.00 0.35 C ATOM 164 CZ2 TRP A 12 4.279 3.101 8.476 1.00 0.44 C ATOM 165 CZ3 TRP A 12 4.004 1.694 6.558 1.00 0.51 C ATOM 166 CH2 TRP A 12 3.502 2.610 7.478 1.00 0.54 C ATOM 0 H TRP A 12 9.418 -2.074 6.329 1.00 0.06 H new ATOM 0 HA TRP A 12 7.856 -1.087 8.581 1.00 0.07 H new ATOM 0 HB2 TRP A 12 9.388 0.819 7.512 1.00 0.10 H new ATOM 0 HB3 TRP A 12 8.242 0.735 6.189 1.00 0.10 H new ATOM 0 HD1 TRP A 12 8.655 2.289 9.617 1.00 0.19 H new ATOM 0 HE1 TRP A 12 6.509 3.612 10.223 1.00 0.26 H new ATOM 0 HE3 TRP A 12 5.676 0.551 5.900 1.00 0.35 H new ATOM 0 HZ2 TRP A 12 3.890 3.817 9.185 1.00 0.44 H new ATOM 0 HZ3 TRP A 12 3.358 1.322 5.776 1.00 0.51 H new ATOM 0 HH2 TRP A 12 2.476 2.936 7.396 1.00 0.54 H new ATOM 177 N ALA A 13 5.946 -2.135 7.319 1.00 0.09 N ATOM 178 CA ALA A 13 4.773 -2.716 6.574 1.00 0.12 C ATOM 179 C ALA A 13 3.433 -2.491 7.325 1.00 0.16 C ATOM 180 O ALA A 13 3.319 -2.798 8.527 1.00 0.19 O ATOM 181 CB ALA A 13 4.958 -4.233 6.271 1.00 0.14 C ATOM 0 H ALA A 13 5.891 -2.244 8.332 1.00 0.09 H new ATOM 0 HA ALA A 13 4.731 -2.180 5.626 1.00 0.12 H new ATOM 0 HB1 ALA A 13 4.086 -4.605 5.733 1.00 0.14 H new ATOM 0 HB2 ALA A 13 5.850 -4.376 5.661 1.00 0.14 H new ATOM 0 HB3 ALA A 13 5.068 -4.780 7.207 1.00 0.14 H new ATOM 187 N VAL A 14 2.409 -1.944 6.607 1.00 0.20 N ATOM 188 CA VAL A 14 1.075 -1.669 7.207 1.00 0.26 C ATOM 189 C VAL A 14 -0.112 -1.896 6.205 1.00 0.27 C ATOM 190 O VAL A 14 -0.071 -1.504 5.026 1.00 0.28 O ATOM 191 CB VAL A 14 1.043 -0.188 7.925 1.00 0.34 C ATOM 192 CG1 VAL A 14 -0.296 0.605 7.936 1.00 0.80 C ATOM 193 CG2 VAL A 14 1.454 -0.239 9.399 1.00 1.05 C ATOM 0 H VAL A 14 2.483 -1.688 5.622 1.00 0.20 H new ATOM 0 HA VAL A 14 0.918 -2.409 7.992 1.00 0.26 H new ATOM 0 HB VAL A 14 1.744 0.331 7.271 1.00 0.34 H new ATOM 0 HG11 VAL A 14 -0.150 1.558 8.445 1.00 0.80 H new ATOM 0 HG12 VAL A 14 -0.620 0.787 6.911 1.00 0.80 H new ATOM 0 HG13 VAL A 14 -1.057 0.027 8.460 1.00 0.80 H new ATOM 0 HG21 VAL A 14 1.415 0.765 9.823 1.00 1.05 H new ATOM 0 HG22 VAL A 14 0.771 -0.890 9.945 1.00 1.05 H new ATOM 0 HG23 VAL A 14 2.469 -0.628 9.480 1.00 1.05 H new ATOM 203 N ASN A 15 -1.181 -2.512 6.768 1.00 0.33 N ATOM 204 CA ASN A 15 -2.474 -2.685 6.092 1.00 0.43 C ATOM 205 C ASN A 15 -3.511 -1.880 6.904 1.00 0.46 C ATOM 206 O ASN A 15 -3.978 -2.332 7.948 1.00 0.55 O ATOM 207 CB ASN A 15 -2.926 -4.185 5.915 1.00 0.56 C ATOM 208 CG ASN A 15 -4.092 -4.350 4.930 1.00 1.40 C ATOM 209 OD1 ASN A 15 -5.051 -5.187 5.287 1.00 2.05 O flip ATOM 210 ND2 ASN A 15 -4.132 -3.721 3.878 1.00 2.11 N flip ATOM 0 H ASN A 15 -1.161 -2.902 7.710 1.00 0.33 H new ATOM 0 HA ASN A 15 -2.382 -2.320 5.069 1.00 0.43 H new ATOM 0 HB2 ASN A 15 -2.078 -4.775 5.567 1.00 0.56 H new ATOM 0 HB3 ASN A 15 -3.218 -4.587 6.885 1.00 0.56 H new ATOM 0 HD21 ASN A 15 -3.373 -3.084 3.636 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -4.924 -3.835 3.245 1.00 2.11 H new ATOM 217 N ALA A 16 -3.883 -0.682 6.382 1.00 0.47 N ATOM 218 CA ALA A 16 -4.870 0.212 7.035 1.00 0.54 C ATOM 219 C ALA A 16 -6.317 -0.322 6.863 1.00 0.58 C ATOM 220 O ALA A 16 -6.907 -0.310 5.756 1.00 0.63 O ATOM 221 CB ALA A 16 -4.716 1.658 6.510 1.00 0.59 C ATOM 0 H ALA A 16 -3.511 -0.314 5.507 1.00 0.47 H new ATOM 0 HA ALA A 16 -4.669 0.226 8.106 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -5.447 2.302 6.998 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -3.711 2.019 6.728 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -4.881 1.673 5.433 1.00 0.59 H new ATOM 227 N GLY A 17 -6.805 -0.897 7.978 1.00 0.58 N ATOM 228 CA GLY A 17 -8.147 -1.480 8.023 1.00 0.61 C ATOM 229 C GLY A 17 -8.472 -2.241 9.296 1.00 0.62 C ATOM 230 O GLY A 17 -9.445 -1.918 9.981 1.00 0.71 O ATOM 0 H GLY A 17 -6.287 -0.967 8.854 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -8.878 -0.682 7.898 1.00 0.61 H new ATOM 0 HA3 GLY A 17 -8.263 -2.154 7.174 1.00 0.61 H new ATOM 234 N GLY A 18 -7.649 -3.257 9.610 1.00 0.72 N ATOM 235 CA GLY A 18 -7.867 -4.091 10.800 1.00 0.73 C ATOM 236 C GLY A 18 -6.903 -3.787 11.940 1.00 0.68 C ATOM 237 O GLY A 18 -6.851 -2.648 12.411 1.00 0.80 O ATOM 0 H GLY A 18 -6.832 -3.518 9.058 1.00 0.72 H new ATOM 0 HA2 GLY A 18 -8.889 -3.949 11.151 1.00 0.73 H new ATOM 0 HA3 GLY A 18 -7.769 -5.140 10.522 1.00 0.73 H new ATOM 241 N GLU A 19 -6.145 -4.810 12.382 1.00 0.59 N ATOM 242 CA GLU A 19 -5.143 -4.679 13.460 1.00 0.60 C ATOM 243 C GLU A 19 -4.199 -5.897 13.481 1.00 0.54 C ATOM 244 O GLU A 19 -4.641 -7.023 13.736 1.00 0.65 O ATOM 245 CB GLU A 19 -5.785 -4.575 14.869 1.00 0.77 C ATOM 246 CG GLU A 19 -6.505 -3.259 15.205 1.00 1.43 C ATOM 247 CD GLU A 19 -6.962 -3.204 16.652 1.00 1.39 C ATOM 248 OE1 GLU A 19 -7.960 -3.878 16.987 1.00 1.50 O ATOM 249 OE2 GLU A 19 -6.321 -2.489 17.451 1.00 1.63 O ATOM 0 H GLU A 19 -6.210 -5.754 12.001 1.00 0.59 H new ATOM 0 HA GLU A 19 -4.600 -3.759 13.243 1.00 0.60 H new ATOM 0 HB2 GLU A 19 -6.499 -5.391 14.978 1.00 0.77 H new ATOM 0 HB3 GLU A 19 -5.003 -4.734 15.612 1.00 0.77 H new ATOM 0 HG2 GLU A 19 -5.837 -2.421 15.005 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -7.368 -3.142 14.549 1.00 1.43 H new ATOM 256 N SER A 20 -2.875 -5.636 13.247 1.00 0.48 N ATOM 257 CA SER A 20 -1.738 -6.642 13.253 1.00 0.45 C ATOM 258 C SER A 20 -1.909 -7.973 12.423 1.00 0.43 C ATOM 259 O SER A 20 -2.698 -8.842 12.814 1.00 0.51 O ATOM 260 CB SER A 20 -1.410 -7.016 14.713 1.00 0.52 C ATOM 261 OG SER A 20 -0.010 -7.055 14.948 1.00 1.00 O ATOM 0 H SER A 20 -2.549 -4.692 13.041 1.00 0.48 H new ATOM 0 HA SER A 20 -0.936 -6.116 12.735 1.00 0.45 H new ATOM 0 HB2 SER A 20 -1.871 -6.292 15.385 1.00 0.52 H new ATOM 0 HB3 SER A 20 -1.844 -7.988 14.945 1.00 0.52 H new ATOM 0 HG SER A 20 0.388 -7.787 14.432 1.00 1.00 H new ATOM 267 N HIS A 21 -1.158 -8.143 11.304 1.00 0.39 N ATOM 268 CA HIS A 21 -1.240 -9.413 10.524 1.00 0.40 C ATOM 269 C HIS A 21 0.126 -9.881 9.990 1.00 0.40 C ATOM 270 O HIS A 21 0.852 -9.131 9.347 1.00 0.41 O ATOM 271 CB HIS A 21 -2.262 -9.329 9.347 1.00 0.43 C ATOM 272 CG HIS A 21 -2.320 -10.584 8.477 1.00 0.41 C ATOM 273 ND1 HIS A 21 -3.127 -11.667 8.751 1.00 0.39 N ATOM 274 CD2 HIS A 21 -1.605 -10.946 7.372 1.00 0.45 C ATOM 275 CE1 HIS A 21 -2.888 -12.618 7.858 1.00 0.40 C ATOM 276 NE2 HIS A 21 -1.976 -12.198 7.028 1.00 0.43 N ATOM 0 H HIS A 21 -0.512 -7.448 10.930 1.00 0.39 H new ATOM 0 HA HIS A 21 -1.595 -10.155 11.239 1.00 0.40 H new ATOM 0 HB2 HIS A 21 -3.254 -9.137 9.755 1.00 0.43 H new ATOM 0 HB3 HIS A 21 -2.006 -8.476 8.718 1.00 0.43 H new ATOM 0 HD2 HIS A 21 -0.872 -10.338 6.863 1.00 0.45 H new ATOM 0 HE1 HIS A 21 -3.371 -13.583 7.824 1.00 0.40 H new ATOM 0 HE2 HIS A 21 -1.602 -12.730 6.243 1.00 0.43 H new ATOM 285 N VAL A 22 0.409 -11.185 10.200 1.00 0.41 N ATOM 286 CA VAL A 22 1.642 -11.827 9.702 1.00 0.43 C ATOM 287 C VAL A 22 1.296 -12.750 8.475 1.00 0.44 C ATOM 288 O VAL A 22 0.550 -13.731 8.585 1.00 0.48 O ATOM 289 CB VAL A 22 2.524 -12.492 10.898 1.00 0.49 C ATOM 290 CG1 VAL A 22 1.961 -13.791 11.540 1.00 1.38 C ATOM 291 CG2 VAL A 22 4.005 -12.720 10.498 1.00 1.39 C ATOM 0 H VAL A 22 -0.205 -11.816 10.715 1.00 0.41 H new ATOM 0 HA VAL A 22 2.329 -11.077 9.311 1.00 0.43 H new ATOM 0 HB VAL A 22 2.456 -11.726 11.671 1.00 0.49 H new ATOM 0 HG11 VAL A 22 2.639 -14.134 12.322 1.00 1.38 H new ATOM 0 HG12 VAL A 22 0.981 -13.588 11.972 1.00 1.38 H new ATOM 0 HG13 VAL A 22 1.868 -14.563 10.777 1.00 1.38 H new ATOM 0 HG21 VAL A 22 4.543 -13.165 11.335 1.00 1.39 H new ATOM 0 HG22 VAL A 22 4.051 -13.390 9.639 1.00 1.39 H new ATOM 0 HG23 VAL A 22 4.463 -11.765 10.239 1.00 1.39 H new ATOM 301 N ASP A 23 1.855 -12.370 7.310 1.00 0.41 N ATOM 302 CA ASP A 23 1.635 -13.074 6.034 1.00 0.44 C ATOM 303 C ASP A 23 2.648 -14.246 5.812 1.00 0.43 C ATOM 304 O ASP A 23 3.728 -14.258 6.411 1.00 0.41 O ATOM 305 CB ASP A 23 1.656 -12.015 4.906 1.00 0.49 C ATOM 306 CG ASP A 23 0.781 -12.362 3.709 1.00 1.04 C ATOM 307 OD1 ASP A 23 -0.437 -12.538 3.904 1.00 1.85 O ATOM 308 OD2 ASP A 23 1.320 -12.467 2.588 1.00 1.46 O ATOM 0 H ASP A 23 2.474 -11.563 7.228 1.00 0.41 H new ATOM 0 HA ASP A 23 0.664 -13.569 6.040 1.00 0.44 H new ATOM 0 HB2 ASP A 23 1.331 -11.058 5.315 1.00 0.49 H new ATOM 0 HB3 ASP A 23 2.683 -11.883 4.565 1.00 0.49 H new ATOM 313 N VAL A 24 2.253 -15.171 4.882 1.00 0.47 N ATOM 314 CA VAL A 24 2.957 -16.484 4.491 1.00 0.50 C ATOM 315 C VAL A 24 4.513 -16.489 4.300 1.00 0.47 C ATOM 316 O VAL A 24 5.152 -17.508 4.574 1.00 0.51 O ATOM 317 CB VAL A 24 2.289 -17.219 3.222 1.00 0.57 C ATOM 318 CG1 VAL A 24 1.081 -18.085 3.628 1.00 0.72 C ATOM 319 CG2 VAL A 24 1.834 -16.272 2.068 1.00 0.58 C ATOM 0 H VAL A 24 1.396 -15.036 4.346 1.00 0.47 H new ATOM 0 HA VAL A 24 2.787 -17.038 5.414 1.00 0.50 H new ATOM 0 HB VAL A 24 3.102 -17.835 2.839 1.00 0.57 H new ATOM 0 HG11 VAL A 24 0.661 -18.562 2.742 1.00 0.72 H new ATOM 0 HG12 VAL A 24 1.403 -18.850 4.334 1.00 0.72 H new ATOM 0 HG13 VAL A 24 0.323 -17.456 4.095 1.00 0.72 H new ATOM 0 HG21 VAL A 24 1.398 -16.863 1.263 1.00 0.58 H new ATOM 0 HG22 VAL A 24 1.091 -15.570 2.445 1.00 0.58 H new ATOM 0 HG23 VAL A 24 2.695 -15.721 1.689 1.00 0.58 H new ATOM 329 N HIS A 25 5.103 -15.372 3.838 1.00 0.42 N ATOM 330 CA HIS A 25 6.582 -15.254 3.691 1.00 0.40 C ATOM 331 C HIS A 25 7.250 -14.734 5.010 1.00 0.36 C ATOM 332 O HIS A 25 8.452 -14.902 5.227 1.00 0.39 O ATOM 333 CB HIS A 25 6.932 -14.307 2.530 1.00 0.38 C ATOM 334 CG HIS A 25 6.196 -14.590 1.246 1.00 0.42 C ATOM 335 ND1 HIS A 25 6.499 -15.654 0.420 1.00 0.45 N ATOM 336 CD2 HIS A 25 5.161 -13.943 0.653 1.00 0.48 C ATOM 337 CE1 HIS A 25 5.684 -15.647 -0.621 1.00 0.49 C ATOM 338 NE2 HIS A 25 4.864 -14.620 -0.502 1.00 0.51 N ATOM 0 H HIS A 25 4.589 -14.536 3.559 1.00 0.42 H new ATOM 0 HA HIS A 25 6.970 -16.250 3.478 1.00 0.40 H new ATOM 0 HB2 HIS A 25 6.720 -13.283 2.837 1.00 0.38 H new ATOM 0 HB3 HIS A 25 8.004 -14.367 2.340 1.00 0.38 H new ATOM 0 HD2 HIS A 25 4.663 -13.059 1.022 1.00 0.48 H new ATOM 0 HE1 HIS A 25 5.689 -16.361 -1.431 1.00 0.49 H new ATOM 0 HE2 HIS A 25 4.128 -14.370 -1.163 1.00 0.51 H new ATOM 347 N GLY A 26 6.410 -14.103 5.864 1.00 0.34 N ATOM 348 CA GLY A 26 6.797 -13.562 7.162 1.00 0.32 C ATOM 349 C GLY A 26 6.765 -12.039 7.234 1.00 0.27 C ATOM 350 O GLY A 26 7.640 -11.423 7.846 1.00 0.26 O ATOM 0 H GLY A 26 5.423 -13.959 5.652 1.00 0.34 H new ATOM 0 HA2 GLY A 26 6.132 -13.966 7.925 1.00 0.32 H new ATOM 0 HA3 GLY A 26 7.803 -13.906 7.402 1.00 0.32 H new ATOM 354 N ILE A 27 5.731 -11.433 6.613 1.00 0.26 N ATOM 355 CA ILE A 27 5.576 -9.963 6.585 1.00 0.23 C ATOM 356 C ILE A 27 4.412 -9.526 7.540 1.00 0.26 C ATOM 357 O ILE A 27 3.239 -9.807 7.285 1.00 0.33 O ATOM 358 CB ILE A 27 5.448 -9.468 5.063 1.00 0.22 C ATOM 359 CG1 ILE A 27 6.775 -9.703 4.240 1.00 0.18 C ATOM 360 CG2 ILE A 27 5.018 -7.974 4.842 1.00 0.26 C ATOM 361 CD1 ILE A 27 8.120 -9.294 4.860 1.00 0.55 C ATOM 0 H ILE A 27 4.992 -11.938 6.125 1.00 0.26 H new ATOM 0 HA ILE A 27 6.460 -9.461 6.979 1.00 0.23 H new ATOM 0 HB ILE A 27 4.631 -10.093 4.702 1.00 0.22 H new ATOM 0 HG12 ILE A 27 6.831 -10.766 4.004 1.00 0.18 H new ATOM 0 HG13 ILE A 27 6.674 -9.171 3.294 1.00 0.18 H new ATOM 0 HG21 ILE A 27 4.968 -7.764 3.774 1.00 0.26 H new ATOM 0 HG22 ILE A 27 4.039 -7.807 5.291 1.00 0.26 H new ATOM 0 HG23 ILE A 27 5.748 -7.312 5.308 1.00 0.26 H new ATOM 0 HD11 ILE A 27 8.927 -9.524 4.164 1.00 0.55 H new ATOM 0 HD12 ILE A 27 8.114 -8.224 5.068 1.00 0.55 H new ATOM 0 HD13 ILE A 27 8.275 -9.843 5.789 1.00 0.55 H new ATOM 373 N HIS A 28 4.781 -8.793 8.602 1.00 0.25 N ATOM 374 CA HIS A 28 3.833 -8.338 9.634 1.00 0.30 C ATOM 375 C HIS A 28 3.439 -6.837 9.568 1.00 0.28 C ATOM 376 O HIS A 28 4.292 -5.950 9.448 1.00 0.28 O ATOM 377 CB HIS A 28 4.471 -8.621 11.008 1.00 0.40 C ATOM 378 CG HIS A 28 3.530 -8.977 12.133 1.00 0.63 C ATOM 379 ND1 HIS A 28 3.864 -9.881 13.121 1.00 0.93 N ATOM 380 CD2 HIS A 28 2.289 -8.534 12.443 1.00 0.96 C ATOM 381 CE1 HIS A 28 2.870 -9.978 13.984 1.00 1.30 C ATOM 382 NE2 HIS A 28 1.904 -9.171 13.596 1.00 1.34 N ATOM 0 H HIS A 28 5.743 -8.499 8.770 1.00 0.25 H new ATOM 0 HA HIS A 28 2.906 -8.885 9.463 1.00 0.30 H new ATOM 0 HB2 HIS A 28 5.184 -9.437 10.890 1.00 0.40 H new ATOM 0 HB3 HIS A 28 5.040 -7.741 11.306 1.00 0.40 H new ATOM 0 HD1 HIS A 28 4.743 -10.395 13.176 1.00 0.93 H new ATOM 0 HD2 HIS A 28 1.709 -7.813 11.886 1.00 0.96 H new ATOM 0 HE1 HIS A 28 2.852 -10.611 14.859 1.00 1.30 H new ATOM 391 N TYR A 29 2.102 -6.594 9.663 1.00 0.33 N ATOM 392 CA TYR A 29 1.501 -5.242 9.747 1.00 0.38 C ATOM 393 C TYR A 29 1.333 -4.878 11.255 1.00 0.45 C ATOM 394 O TYR A 29 0.981 -5.743 12.071 1.00 0.46 O ATOM 395 CB TYR A 29 0.136 -5.180 8.925 1.00 0.45 C ATOM 396 CG TYR A 29 -1.069 -4.419 9.568 1.00 0.98 C ATOM 397 CD1 TYR A 29 -0.956 -3.109 10.052 1.00 1.31 C ATOM 398 CD2 TYR A 29 -2.318 -5.034 9.706 1.00 1.34 C ATOM 399 CE1 TYR A 29 -2.046 -2.466 10.629 1.00 1.91 C ATOM 400 CE2 TYR A 29 -3.390 -4.400 10.277 1.00 1.91 C ATOM 401 CZ TYR A 29 -3.189 -2.995 10.702 1.00 2.21 C ATOM 402 OH TYR A 29 -4.338 -2.517 11.303 1.00 2.79 O ATOM 0 H TYR A 29 1.409 -7.342 9.683 1.00 0.33 H new ATOM 0 HA TYR A 29 2.151 -4.497 9.288 1.00 0.38 H new ATOM 0 HB2 TYR A 29 0.347 -4.719 7.960 1.00 0.45 H new ATOM 0 HB3 TYR A 29 -0.182 -6.203 8.726 1.00 0.45 H new ATOM 0 HD1 TYR A 29 -0.011 -2.592 9.976 1.00 1.31 H new ATOM 0 HD2 TYR A 29 -2.442 -6.046 9.349 1.00 1.34 H new ATOM 0 HE1 TYR A 29 -1.908 -1.473 11.031 1.00 1.91 H new ATOM 0 HE2 TYR A 29 -4.337 -4.901 10.411 1.00 1.91 H new ATOM 0 HH TYR A 29 -4.941 -2.159 10.618 1.00 2.79 H new ATOM 412 N ARG A 30 1.541 -3.573 11.587 1.00 0.54 N ATOM 413 CA ARG A 30 1.487 -3.024 12.978 1.00 0.63 C ATOM 414 C ARG A 30 0.120 -3.126 13.725 1.00 0.91 C ATOM 415 O ARG A 30 -0.231 -4.206 14.188 1.00 1.87 O ATOM 416 CB ARG A 30 2.028 -1.574 12.982 1.00 0.72 C ATOM 417 CG ARG A 30 3.545 -1.467 12.685 1.00 0.68 C ATOM 418 CD ARG A 30 4.051 -0.013 12.655 1.00 0.87 C ATOM 419 NE ARG A 30 3.924 0.644 13.956 1.00 1.70 N ATOM 420 CZ ARG A 30 4.343 1.882 14.203 1.00 2.08 C ATOM 421 NH1 ARG A 30 4.912 2.599 13.241 1.00 1.93 N ATOM 422 NH2 ARG A 30 4.192 2.405 15.411 1.00 3.00 N ATOM 0 H ARG A 30 1.754 -2.861 10.888 1.00 0.54 H new ATOM 0 HA ARG A 30 2.127 -3.683 13.564 1.00 0.63 H new ATOM 0 HB2 ARG A 30 1.481 -0.991 12.241 1.00 0.72 H new ATOM 0 HB3 ARG A 30 1.826 -1.124 13.954 1.00 0.72 H new ATOM 0 HG2 ARG A 30 4.098 -2.023 13.442 1.00 0.68 H new ATOM 0 HG3 ARG A 30 3.756 -1.939 11.726 1.00 0.68 H new ATOM 0 HD2 ARG A 30 5.096 -0.000 12.344 1.00 0.87 H new ATOM 0 HD3 ARG A 30 3.489 0.550 11.909 1.00 0.87 H new ATOM 0 HE ARG A 30 3.489 0.123 14.717 1.00 1.70 H new ATOM 0 HH11 ARG A 30 5.029 2.201 12.309 1.00 1.93 H new ATOM 0 HH12 ARG A 30 5.232 3.548 13.434 1.00 1.93 H new ATOM 0 HH21 ARG A 30 3.754 1.858 16.152 1.00 3.00 H new ATOM 0 HH22 ARG A 30 4.514 3.354 15.600 1.00 3.00 H new ATOM 436 N LYS A 31 -0.611 -2.010 13.866 1.00 0.57 N ATOM 437 CA LYS A 31 -1.901 -1.962 14.596 1.00 0.59 C ATOM 438 C LYS A 31 -2.467 -0.513 14.671 1.00 0.64 C ATOM 439 O LYS A 31 -2.468 0.081 15.758 1.00 0.79 O ATOM 440 CB LYS A 31 -1.664 -2.472 16.043 1.00 0.73 C ATOM 441 CG LYS A 31 -2.922 -2.943 16.807 1.00 1.15 C ATOM 442 CD LYS A 31 -2.825 -2.743 18.343 1.00 1.44 C ATOM 443 CE LYS A 31 -1.695 -3.575 18.982 1.00 1.70 C ATOM 444 NZ LYS A 31 -1.798 -5.019 18.630 1.00 2.30 N ATOM 0 H LYS A 31 -0.329 -1.110 13.478 1.00 0.57 H new ATOM 0 HA LYS A 31 -2.621 -2.584 14.063 1.00 0.59 H new ATOM 0 HB2 LYS A 31 -0.955 -3.299 16.005 1.00 0.73 H new ATOM 0 HB3 LYS A 31 -1.192 -1.674 16.616 1.00 0.73 H new ATOM 0 HG2 LYS A 31 -3.790 -2.400 16.432 1.00 1.15 H new ATOM 0 HG3 LYS A 31 -3.091 -3.999 16.596 1.00 1.15 H new ATOM 0 HD2 LYS A 31 -2.659 -1.687 18.558 1.00 1.44 H new ATOM 0 HD3 LYS A 31 -3.775 -3.016 18.801 1.00 1.44 H new ATOM 0 HE2 LYS A 31 -0.730 -3.189 18.653 1.00 1.70 H new ATOM 0 HE3 LYS A 31 -1.730 -3.463 20.066 1.00 1.70 H new ATOM 0 HZ1 LYS A 31 -1.129 -5.566 19.209 1.00 2.30 H new ATOM 0 HZ2 LYS A 31 -2.766 -5.352 18.812 1.00 2.30 H new ATOM 0 HZ3 LYS A 31 -1.571 -5.148 17.623 1.00 2.30 H new ATOM 458 N ASP A 32 -2.971 0.069 13.521 1.00 0.61 N ATOM 459 CA ASP A 32 -3.544 1.490 13.454 1.00 0.72 C ATOM 460 C ASP A 32 -2.533 2.604 13.930 1.00 0.75 C ATOM 461 O ASP A 32 -2.810 3.319 14.897 1.00 1.00 O ATOM 462 CB ASP A 32 -4.844 1.594 14.303 1.00 0.86 C ATOM 463 CG ASP A 32 -6.074 0.976 13.646 1.00 0.95 C ATOM 464 OD1 ASP A 32 -5.913 0.003 12.881 1.00 1.01 O ATOM 465 OD2 ASP A 32 -7.195 1.465 13.908 1.00 1.17 O ATOM 0 H ASP A 32 -2.996 -0.417 12.624 1.00 0.61 H new ATOM 0 HA ASP A 32 -3.756 1.672 12.400 1.00 0.72 H new ATOM 0 HB2 ASP A 32 -4.676 1.107 15.264 1.00 0.86 H new ATOM 0 HB3 ASP A 32 -5.046 2.645 14.509 1.00 0.86 H new ATOM 470 N PRO A 33 -1.357 2.774 13.247 1.00 0.59 N ATOM 471 CA PRO A 33 -0.293 3.717 13.695 1.00 0.66 C ATOM 472 C PRO A 33 -0.263 5.179 13.153 1.00 0.83 C ATOM 473 O PRO A 33 0.776 5.834 13.294 1.00 1.45 O ATOM 474 CB PRO A 33 0.959 2.964 13.231 1.00 0.59 C ATOM 475 CG PRO A 33 0.549 2.356 11.912 1.00 0.57 C ATOM 476 CD PRO A 33 -0.943 2.040 12.030 1.00 0.49 C ATOM 0 HA PRO A 33 -0.429 3.925 14.756 1.00 0.66 H new ATOM 0 HB2 PRO A 33 1.809 3.636 13.114 1.00 0.59 H new ATOM 0 HB3 PRO A 33 1.254 2.199 13.949 1.00 0.59 H new ATOM 0 HG2 PRO A 33 0.736 3.047 11.090 1.00 0.57 H new ATOM 0 HG3 PRO A 33 1.123 1.452 11.705 1.00 0.57 H new ATOM 0 HD2 PRO A 33 -1.495 2.375 11.152 1.00 0.49 H new ATOM 0 HD3 PRO A 33 -1.120 0.969 12.128 1.00 0.49 H new ATOM 484 N LEU A 34 -1.349 5.710 12.556 1.00 0.72 N ATOM 485 CA LEU A 34 -1.299 7.120 12.087 1.00 0.91 C ATOM 486 C LEU A 34 -2.455 8.015 12.616 1.00 1.43 C ATOM 487 O LEU A 34 -2.196 9.167 12.979 1.00 1.91 O ATOM 488 CB LEU A 34 -1.001 7.250 10.525 1.00 1.02 C ATOM 489 CG LEU A 34 -2.119 7.131 9.404 1.00 0.88 C ATOM 490 CD1 LEU A 34 -3.033 5.925 9.540 1.00 1.67 C ATOM 491 CD2 LEU A 34 -2.941 8.414 9.249 1.00 1.33 C ATOM 0 H LEU A 34 -2.229 5.221 12.391 1.00 0.72 H new ATOM 0 HA LEU A 34 -0.422 7.553 12.568 1.00 0.91 H new ATOM 0 HB2 LEU A 34 -0.527 8.221 10.383 1.00 1.02 H new ATOM 0 HB3 LEU A 34 -0.252 6.493 10.292 1.00 1.02 H new ATOM 0 HG LEU A 34 -1.547 6.974 8.489 1.00 0.88 H new ATOM 0 HD11 LEU A 34 -3.763 5.929 8.731 1.00 1.67 H new ATOM 0 HD12 LEU A 34 -2.440 5.012 9.490 1.00 1.67 H new ATOM 0 HD13 LEU A 34 -3.552 5.968 10.497 1.00 1.67 H new ATOM 0 HD21 LEU A 34 -3.690 8.274 8.469 1.00 1.33 H new ATOM 0 HD22 LEU A 34 -3.438 8.644 10.192 1.00 1.33 H new ATOM 0 HD23 LEU A 34 -2.282 9.238 8.976 1.00 1.33 H new ATOM 503 N GLU A 35 -3.712 7.513 12.665 1.00 1.77 N ATOM 504 CA GLU A 35 -4.832 8.324 13.178 1.00 2.54 C ATOM 505 C GLU A 35 -5.608 7.604 14.284 1.00 2.66 C ATOM 506 O GLU A 35 -6.386 6.675 14.036 1.00 3.33 O ATOM 507 CB GLU A 35 -5.777 8.767 12.041 1.00 3.34 C ATOM 508 CG GLU A 35 -5.714 10.270 11.729 1.00 3.49 C ATOM 509 CD GLU A 35 -6.653 10.684 10.614 1.00 4.38 C ATOM 510 OE1 GLU A 35 -6.507 10.162 9.488 1.00 4.80 O ATOM 511 OE2 GLU A 35 -7.539 11.527 10.866 1.00 4.84 O ATOM 0 H GLU A 35 -3.968 6.573 12.363 1.00 1.77 H new ATOM 0 HA GLU A 35 -4.393 9.219 13.620 1.00 2.54 H new ATOM 0 HB2 GLU A 35 -5.530 8.208 11.138 1.00 3.34 H new ATOM 0 HB3 GLU A 35 -6.800 8.504 12.309 1.00 3.34 H new ATOM 0 HG2 GLU A 35 -5.958 10.833 12.630 1.00 3.49 H new ATOM 0 HG3 GLU A 35 -4.693 10.536 11.454 1.00 3.49 H new ATOM 518 N GLY A 36 -5.363 8.072 15.520 1.00 2.22 N ATOM 519 CA GLY A 36 -5.981 7.509 16.727 1.00 2.37 C ATOM 520 C GLY A 36 -4.985 6.771 17.642 1.00 1.99 C ATOM 521 O GLY A 36 -5.140 6.793 18.865 1.00 2.30 O ATOM 0 H GLY A 36 -4.731 8.851 15.707 1.00 2.22 H new ATOM 0 HA2 GLY A 36 -6.454 8.313 17.292 1.00 2.37 H new ATOM 0 HA3 GLY A 36 -6.771 6.819 16.432 1.00 2.37 H new ATOM 525 N ARG A 37 -3.942 6.126 17.018 1.00 1.73 N ATOM 526 CA ARG A 37 -2.831 5.353 17.686 1.00 2.21 C ATOM 527 C ARG A 37 -3.248 3.957 18.235 1.00 2.05 C ATOM 528 O ARG A 37 -2.689 2.936 17.824 1.00 2.64 O ATOM 529 CB ARG A 37 -2.123 6.178 18.796 1.00 3.16 C ATOM 530 CG ARG A 37 -1.613 7.579 18.360 1.00 3.40 C ATOM 531 CD ARG A 37 -0.586 7.530 17.212 1.00 3.20 C ATOM 532 NE ARG A 37 0.158 8.783 17.101 1.00 3.69 N ATOM 533 CZ ARG A 37 1.098 9.004 16.186 1.00 3.94 C ATOM 534 NH1 ARG A 37 1.400 8.068 15.296 1.00 3.94 N ATOM 535 NH2 ARG A 37 1.738 10.166 16.160 1.00 4.50 N ATOM 0 H ARG A 37 -3.848 6.130 16.002 1.00 1.73 H new ATOM 0 HA ARG A 37 -2.123 5.164 16.879 1.00 2.21 H new ATOM 0 HB2 ARG A 37 -2.815 6.305 19.629 1.00 3.16 H new ATOM 0 HB3 ARG A 37 -1.277 5.602 19.170 1.00 3.16 H new ATOM 0 HG2 ARG A 37 -2.464 8.186 18.050 1.00 3.40 H new ATOM 0 HG3 ARG A 37 -1.162 8.076 19.219 1.00 3.40 H new ATOM 0 HD2 ARG A 37 0.109 6.707 17.380 1.00 3.20 H new ATOM 0 HD3 ARG A 37 -1.099 7.327 16.272 1.00 3.20 H new ATOM 0 HE ARG A 37 -0.055 9.530 17.762 1.00 3.69 H new ATOM 0 HH11 ARG A 37 0.911 7.173 15.311 1.00 3.94 H new ATOM 0 HH12 ARG A 37 2.122 8.243 14.597 1.00 3.94 H new ATOM 0 HH21 ARG A 37 1.509 10.890 16.842 1.00 4.50 H new ATOM 0 HH22 ARG A 37 2.459 10.336 15.459 1.00 4.50 H new ATOM 549 N VAL A 38 -4.220 3.936 19.163 1.00 1.67 N ATOM 550 CA VAL A 38 -4.731 2.679 19.781 1.00 1.61 C ATOM 551 C VAL A 38 -6.281 2.690 19.836 1.00 1.73 C ATOM 552 O VAL A 38 -6.883 3.540 20.505 1.00 2.44 O ATOM 553 CB VAL A 38 -4.140 2.309 21.235 1.00 2.08 C ATOM 554 CG1 VAL A 38 -2.923 1.369 21.121 1.00 2.70 C ATOM 555 CG2 VAL A 38 -3.747 3.521 22.141 1.00 2.63 C ATOM 0 H VAL A 38 -4.677 4.779 19.511 1.00 1.67 H new ATOM 0 HA VAL A 38 -4.364 1.894 19.120 1.00 1.61 H new ATOM 0 HB VAL A 38 -4.979 1.817 21.728 1.00 2.08 H new ATOM 0 HG11 VAL A 38 -2.547 1.138 22.118 1.00 2.70 H new ATOM 0 HG12 VAL A 38 -3.221 0.447 20.623 1.00 2.70 H new ATOM 0 HG13 VAL A 38 -2.139 1.857 20.542 1.00 2.70 H new ATOM 0 HG21 VAL A 38 -3.362 3.154 23.093 1.00 2.63 H new ATOM 0 HG22 VAL A 38 -2.979 4.113 21.643 1.00 2.63 H new ATOM 0 HG23 VAL A 38 -4.625 4.142 22.320 1.00 2.63 H new ATOM 565 N GLY A 39 -6.905 1.736 19.129 1.00 1.64 N ATOM 566 CA GLY A 39 -8.362 1.650 19.101 1.00 1.95 C ATOM 567 C GLY A 39 -8.893 0.269 18.734 1.00 1.52 C ATOM 568 O GLY A 39 -8.626 -0.716 19.432 1.00 1.67 O ATOM 0 H GLY A 39 -6.426 1.024 18.577 1.00 1.64 H new ATOM 0 HA2 GLY A 39 -8.751 1.930 20.080 1.00 1.95 H new ATOM 0 HA3 GLY A 39 -8.745 2.378 18.386 1.00 1.95 H new ATOM 572 N ARG A 40 -9.663 0.209 17.632 1.00 1.49 N ATOM 573 CA ARG A 40 -10.272 -1.049 17.150 1.00 1.54 C ATOM 574 C ARG A 40 -10.182 -1.208 15.609 1.00 1.40 C ATOM 575 O ARG A 40 -9.605 -0.373 14.897 1.00 1.40 O ATOM 576 CB ARG A 40 -11.755 -1.110 17.596 1.00 2.19 C ATOM 577 CG ARG A 40 -11.967 -1.431 19.094 1.00 2.54 C ATOM 578 CD ARG A 40 -13.452 -1.391 19.508 1.00 3.29 C ATOM 579 NE ARG A 40 -14.245 -2.421 18.837 1.00 3.83 N ATOM 580 CZ ARG A 40 -15.545 -2.607 19.051 1.00 4.62 C ATOM 581 NH1 ARG A 40 -16.196 -1.843 19.918 1.00 4.94 N ATOM 582 NH2 ARG A 40 -16.196 -3.561 18.398 1.00 5.34 N ATOM 0 H ARG A 40 -9.880 1.021 17.054 1.00 1.49 H new ATOM 0 HA ARG A 40 -9.707 -1.871 17.590 1.00 1.54 H new ATOM 0 HB2 ARG A 40 -12.227 -0.153 17.373 1.00 2.19 H new ATOM 0 HB3 ARG A 40 -12.269 -1.865 17.001 1.00 2.19 H new ATOM 0 HG2 ARG A 40 -11.560 -2.419 19.311 1.00 2.54 H new ATOM 0 HG3 ARG A 40 -11.407 -0.717 19.697 1.00 2.54 H new ATOM 0 HD2 ARG A 40 -13.529 -1.522 20.587 1.00 3.29 H new ATOM 0 HD3 ARG A 40 -13.865 -0.409 19.276 1.00 3.29 H new ATOM 0 HE ARG A 40 -13.775 -3.031 18.168 1.00 3.83 H new ATOM 0 HH11 ARG A 40 -15.700 -1.109 20.424 1.00 4.94 H new ATOM 0 HH12 ARG A 40 -17.193 -1.989 20.079 1.00 4.94 H new ATOM 0 HH21 ARG A 40 -15.700 -4.153 17.731 1.00 5.34 H new ATOM 0 HH22 ARG A 40 -17.193 -3.703 18.563 1.00 5.34 H new ATOM 596 N ALA A 41 -10.778 -2.324 15.104 1.00 1.35 N ATOM 597 CA ALA A 41 -10.816 -2.670 13.658 1.00 1.29 C ATOM 598 C ALA A 41 -12.143 -2.211 12.983 1.00 1.31 C ATOM 599 O ALA A 41 -13.250 -2.406 13.518 1.00 1.64 O ATOM 600 CB ALA A 41 -10.620 -4.200 13.493 1.00 1.35 C ATOM 0 H ALA A 41 -11.248 -3.011 15.694 1.00 1.35 H new ATOM 0 HA ALA A 41 -10.006 -2.139 13.158 1.00 1.29 H new ATOM 0 HB1 ALA A 41 -10.647 -4.458 12.434 1.00 1.35 H new ATOM 0 HB2 ALA A 41 -9.657 -4.491 13.913 1.00 1.35 H new ATOM 0 HB3 ALA A 41 -11.418 -4.727 14.016 1.00 1.35 H new ATOM 606 N SER A 42 -12.004 -1.569 11.804 1.00 1.13 N ATOM 607 CA SER A 42 -13.151 -1.073 11.025 1.00 1.15 C ATOM 608 C SER A 42 -13.337 -1.889 9.736 1.00 1.10 C ATOM 609 O SER A 42 -12.515 -1.832 8.822 1.00 1.57 O ATOM 610 CB SER A 42 -12.971 0.414 10.685 1.00 1.23 C ATOM 611 OG SER A 42 -13.310 1.242 11.788 1.00 1.43 O ATOM 0 H SER A 42 -11.100 -1.382 11.371 1.00 1.13 H new ATOM 0 HA SER A 42 -14.045 -1.189 11.638 1.00 1.15 H new ATOM 0 HB2 SER A 42 -11.937 0.600 10.393 1.00 1.23 H new ATOM 0 HB3 SER A 42 -13.595 0.671 9.829 1.00 1.23 H new ATOM 0 HG SER A 42 -13.184 2.182 11.542 1.00 1.43 H new ATOM 617 N ASP A 43 -14.424 -2.669 9.694 1.00 0.99 N ATOM 618 CA ASP A 43 -14.739 -3.525 8.539 1.00 0.98 C ATOM 619 C ASP A 43 -16.233 -3.450 8.177 1.00 1.13 C ATOM 620 O ASP A 43 -17.082 -4.048 8.850 1.00 1.62 O ATOM 621 CB ASP A 43 -14.332 -4.980 8.826 1.00 1.01 C ATOM 622 CG ASP A 43 -12.990 -5.353 8.213 1.00 1.65 C ATOM 623 OD1 ASP A 43 -12.931 -5.533 6.977 1.00 2.33 O ATOM 624 OD2 ASP A 43 -12.001 -5.460 8.969 1.00 1.80 O ATOM 0 H ASP A 43 -15.105 -2.726 10.451 1.00 0.99 H new ATOM 0 HA ASP A 43 -14.169 -3.159 7.685 1.00 0.98 H new ATOM 0 HB2 ASP A 43 -14.288 -5.133 9.904 1.00 1.01 H new ATOM 0 HB3 ASP A 43 -15.101 -5.650 8.440 1.00 1.01 H new ATOM 629 N TYR A 44 -16.542 -2.696 7.098 1.00 1.26 N ATOM 630 CA TYR A 44 -17.929 -2.537 6.596 1.00 1.48 C ATOM 631 C TYR A 44 -18.121 -3.343 5.291 1.00 1.68 C ATOM 632 O TYR A 44 -18.190 -2.791 4.186 1.00 2.40 O ATOM 633 CB TYR A 44 -18.255 -1.048 6.371 1.00 1.58 C ATOM 634 CG TYR A 44 -18.448 -0.245 7.665 1.00 1.67 C ATOM 635 CD1 TYR A 44 -19.703 -0.141 8.277 1.00 1.93 C ATOM 636 CD2 TYR A 44 -17.374 0.415 8.273 1.00 2.02 C ATOM 637 CE1 TYR A 44 -19.873 0.590 9.443 1.00 2.32 C ATOM 638 CE2 TYR A 44 -17.547 1.143 9.439 1.00 2.50 C ATOM 639 CZ TYR A 44 -18.805 1.206 10.026 1.00 2.56 C ATOM 640 OH TYR A 44 -18.964 1.951 11.172 1.00 3.16 O ATOM 0 H TYR A 44 -15.846 -2.185 6.555 1.00 1.26 H new ATOM 0 HA TYR A 44 -18.618 -2.926 7.346 1.00 1.48 H new ATOM 0 HB2 TYR A 44 -17.451 -0.595 5.792 1.00 1.58 H new ATOM 0 HB3 TYR A 44 -19.162 -0.973 5.771 1.00 1.58 H new ATOM 0 HD1 TYR A 44 -20.553 -0.638 7.834 1.00 1.93 H new ATOM 0 HD2 TYR A 44 -16.393 0.356 7.825 1.00 2.02 H new ATOM 0 HE1 TYR A 44 -20.853 0.672 9.890 1.00 2.32 H new ATOM 0 HE2 TYR A 44 -16.711 1.658 9.888 1.00 2.50 H new ATOM 0 HH TYR A 44 -18.097 2.316 11.448 1.00 3.16 H new ATOM 650 N GLY A 45 -18.198 -4.673 5.469 1.00 1.41 N ATOM 651 CA GLY A 45 -18.322 -5.621 4.366 1.00 1.52 C ATOM 652 C GLY A 45 -17.175 -6.629 4.397 1.00 1.29 C ATOM 653 O GLY A 45 -16.263 -6.566 3.568 1.00 1.22 O ATOM 0 H GLY A 45 -18.175 -5.115 6.388 1.00 1.41 H new ATOM 0 HA2 GLY A 45 -19.276 -6.144 4.434 1.00 1.52 H new ATOM 0 HA3 GLY A 45 -18.318 -5.086 3.416 1.00 1.52 H new ATOM 657 N MET A 46 -17.235 -7.570 5.369 1.00 1.26 N ATOM 658 CA MET A 46 -16.176 -8.590 5.582 1.00 1.14 C ATOM 659 C MET A 46 -16.386 -9.945 4.839 1.00 1.13 C ATOM 660 O MET A 46 -15.546 -10.842 4.958 1.00 1.13 O ATOM 661 CB MET A 46 -16.037 -8.852 7.095 1.00 1.28 C ATOM 662 CG MET A 46 -14.602 -8.769 7.637 1.00 1.04 C ATOM 663 SD MET A 46 -14.472 -9.343 9.343 1.00 1.58 S ATOM 664 CE MET A 46 -12.719 -9.132 9.656 1.00 1.67 C ATOM 0 H MET A 46 -18.013 -7.645 6.025 1.00 1.26 H new ATOM 0 HA MET A 46 -15.269 -8.168 5.149 1.00 1.14 H new ATOM 0 HB2 MET A 46 -16.655 -8.132 7.632 1.00 1.28 H new ATOM 0 HB3 MET A 46 -16.436 -9.842 7.316 1.00 1.28 H new ATOM 0 HG2 MET A 46 -13.944 -9.366 7.005 1.00 1.04 H new ATOM 0 HG3 MET A 46 -14.254 -7.738 7.577 1.00 1.04 H new ATOM 0 HE1 MET A 46 -12.491 -9.447 10.674 1.00 1.67 H new ATOM 0 HE2 MET A 46 -12.148 -9.738 8.952 1.00 1.67 H new ATOM 0 HE3 MET A 46 -12.451 -8.083 9.532 1.00 1.67 H new ATOM 674 N LYS A 47 -17.490 -10.085 4.076 1.00 1.20 N ATOM 675 CA LYS A 47 -17.773 -11.313 3.313 1.00 1.24 C ATOM 676 C LYS A 47 -17.782 -11.035 1.784 1.00 1.33 C ATOM 677 O LYS A 47 -18.763 -11.293 1.080 1.00 1.68 O ATOM 678 CB LYS A 47 -19.110 -11.908 3.790 1.00 1.34 C ATOM 679 CG LYS A 47 -19.345 -13.377 3.359 1.00 2.03 C ATOM 680 CD LYS A 47 -20.841 -13.791 3.388 1.00 2.90 C ATOM 681 CE LYS A 47 -21.599 -13.404 2.102 1.00 3.65 C ATOM 682 NZ LYS A 47 -23.061 -13.661 2.227 1.00 4.18 N ATOM 0 H LYS A 47 -18.200 -9.360 3.974 1.00 1.20 H new ATOM 0 HA LYS A 47 -16.981 -12.040 3.494 1.00 1.24 H new ATOM 0 HB2 LYS A 47 -19.153 -11.850 4.878 1.00 1.34 H new ATOM 0 HB3 LYS A 47 -19.925 -11.294 3.406 1.00 1.34 H new ATOM 0 HG2 LYS A 47 -18.955 -13.520 2.351 1.00 2.03 H new ATOM 0 HG3 LYS A 47 -18.779 -14.037 4.017 1.00 2.03 H new ATOM 0 HD2 LYS A 47 -20.911 -14.869 3.534 1.00 2.90 H new ATOM 0 HD3 LYS A 47 -21.326 -13.321 4.244 1.00 2.90 H new ATOM 0 HE2 LYS A 47 -21.432 -12.349 1.884 1.00 3.65 H new ATOM 0 HE3 LYS A 47 -21.200 -13.970 1.260 1.00 3.65 H new ATOM 0 HZ1 LYS A 47 -23.538 -13.389 1.344 1.00 4.18 H new ATOM 0 HZ2 LYS A 47 -23.221 -14.672 2.410 1.00 4.18 H new ATOM 0 HZ3 LYS A 47 -23.446 -13.101 3.015 1.00 4.18 H new ATOM 696 N LEU A 48 -16.638 -10.517 1.312 1.00 1.18 N ATOM 697 CA LEU A 48 -16.390 -10.161 -0.090 1.00 1.29 C ATOM 698 C LEU A 48 -14.880 -10.334 -0.356 1.00 1.00 C ATOM 699 O LEU A 48 -14.151 -9.338 -0.456 1.00 1.21 O ATOM 700 CB LEU A 48 -16.791 -8.684 -0.344 1.00 1.76 C ATOM 701 CG LEU A 48 -17.859 -8.346 -1.458 1.00 1.96 C ATOM 702 CD1 LEU A 48 -17.535 -8.969 -2.824 1.00 2.24 C ATOM 703 CD2 LEU A 48 -19.281 -8.729 -1.034 1.00 2.63 C ATOM 0 H LEU A 48 -15.837 -10.329 1.915 1.00 1.18 H new ATOM 0 HA LEU A 48 -16.978 -10.798 -0.751 1.00 1.29 H new ATOM 0 HB2 LEU A 48 -17.163 -8.281 0.598 1.00 1.76 H new ATOM 0 HB3 LEU A 48 -15.881 -8.136 -0.588 1.00 1.76 H new ATOM 0 HG LEU A 48 -17.808 -7.263 -1.573 1.00 1.96 H new ATOM 0 HD11 LEU A 48 -18.309 -8.696 -3.541 1.00 2.24 H new ATOM 0 HD12 LEU A 48 -16.571 -8.599 -3.173 1.00 2.24 H new ATOM 0 HD13 LEU A 48 -17.495 -10.054 -2.729 1.00 2.24 H new ATOM 0 HD21 LEU A 48 -19.979 -8.477 -1.832 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -19.326 -9.800 -0.837 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -19.551 -8.182 -0.130 1.00 2.63 H new ATOM 715 N PRO A 49 -14.366 -11.611 -0.452 1.00 0.82 N ATOM 716 CA PRO A 49 -12.907 -11.909 -0.665 1.00 0.89 C ATOM 717 C PRO A 49 -12.299 -11.513 -2.036 1.00 0.75 C ATOM 718 O PRO A 49 -13.018 -11.260 -3.006 1.00 0.78 O ATOM 719 CB PRO A 49 -12.830 -13.448 -0.529 1.00 1.31 C ATOM 720 CG PRO A 49 -14.085 -13.837 0.196 1.00 1.37 C ATOM 721 CD PRO A 49 -15.137 -12.873 -0.301 1.00 1.05 C ATOM 0 HA PRO A 49 -12.331 -11.319 0.048 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -12.774 -13.928 -1.506 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -11.943 -13.751 0.027 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -14.362 -14.869 -0.019 1.00 1.37 H new ATOM 0 HG3 PRO A 49 -13.957 -13.760 1.276 1.00 1.37 H new ATOM 0 HD2 PRO A 49 -15.573 -13.199 -1.246 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -15.958 -12.766 0.408 1.00 1.05 H new ATOM 729 N ILE A 50 -10.942 -11.480 -2.075 1.00 0.67 N ATOM 730 CA ILE A 50 -10.161 -11.151 -3.288 1.00 0.60 C ATOM 731 C ILE A 50 -9.778 -12.486 -4.046 1.00 0.64 C ATOM 732 O ILE A 50 -9.463 -13.512 -3.430 1.00 0.69 O ATOM 733 CB ILE A 50 -8.920 -10.139 -2.890 1.00 0.57 C ATOM 734 CG1 ILE A 50 -9.328 -8.640 -3.057 1.00 0.54 C ATOM 735 CG2 ILE A 50 -7.604 -10.285 -3.718 1.00 0.59 C ATOM 736 CD1 ILE A 50 -10.306 -8.068 -2.056 1.00 0.59 C ATOM 0 H ILE A 50 -10.360 -11.682 -1.262 1.00 0.67 H new ATOM 0 HA ILE A 50 -10.744 -10.585 -4.015 1.00 0.60 H new ATOM 0 HB ILE A 50 -8.720 -10.435 -1.860 1.00 0.57 H new ATOM 0 HG12 ILE A 50 -8.420 -8.038 -3.022 1.00 0.54 H new ATOM 0 HG13 ILE A 50 -9.754 -8.516 -4.053 1.00 0.54 H new ATOM 0 HG21 ILE A 50 -6.867 -9.566 -3.360 1.00 0.59 H new ATOM 0 HG22 ILE A 50 -7.211 -11.295 -3.602 1.00 0.59 H new ATOM 0 HG23 ILE A 50 -7.814 -10.096 -4.771 1.00 0.59 H new ATOM 0 HD11 ILE A 50 -10.498 -7.021 -2.292 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -11.240 -8.628 -2.100 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -9.885 -8.142 -1.053 1.00 0.59 H new ATOM 748 N LEU A 51 -9.796 -12.407 -5.398 1.00 0.65 N ATOM 749 CA LEU A 51 -9.507 -13.554 -6.315 1.00 0.71 C ATOM 750 C LEU A 51 -8.001 -13.898 -6.502 1.00 0.78 C ATOM 751 O LEU A 51 -7.674 -15.034 -6.857 1.00 1.26 O ATOM 752 CB LEU A 51 -10.099 -13.254 -7.713 1.00 0.74 C ATOM 753 CG LEU A 51 -11.567 -13.724 -8.053 1.00 0.86 C ATOM 754 CD1 LEU A 51 -11.760 -15.235 -7.893 1.00 1.22 C ATOM 755 CD2 LEU A 51 -12.629 -12.971 -7.241 1.00 1.28 C ATOM 0 H LEU A 51 -10.012 -11.542 -5.894 1.00 0.65 H new ATOM 0 HA LEU A 51 -9.966 -14.418 -5.835 1.00 0.71 H new ATOM 0 HB2 LEU A 51 -10.060 -12.175 -7.860 1.00 0.74 H new ATOM 0 HB3 LEU A 51 -9.434 -13.701 -8.452 1.00 0.74 H new ATOM 0 HG LEU A 51 -11.706 -13.478 -9.106 1.00 0.86 H new ATOM 0 HD11 LEU A 51 -12.788 -15.499 -8.140 1.00 1.22 H new ATOM 0 HD12 LEU A 51 -11.079 -15.762 -8.562 1.00 1.22 H new ATOM 0 HD13 LEU A 51 -11.550 -15.522 -6.863 1.00 1.22 H new ATOM 0 HD21 LEU A 51 -13.620 -13.333 -7.514 1.00 1.28 H new ATOM 0 HD22 LEU A 51 -12.461 -13.140 -6.177 1.00 1.28 H new ATOM 0 HD23 LEU A 51 -12.561 -11.904 -7.454 1.00 1.28 H new ATOM 767 N ARG A 52 -7.097 -12.921 -6.266 1.00 0.58 N ATOM 768 CA ARG A 52 -5.644 -13.147 -6.409 1.00 0.58 C ATOM 769 C ARG A 52 -4.880 -13.247 -5.046 1.00 0.57 C ATOM 770 O ARG A 52 -3.659 -13.063 -5.004 1.00 0.65 O ATOM 771 CB ARG A 52 -5.023 -12.032 -7.281 1.00 0.57 C ATOM 772 CG ARG A 52 -4.863 -12.371 -8.786 1.00 0.70 C ATOM 773 CD ARG A 52 -6.207 -12.553 -9.512 1.00 0.64 C ATOM 774 NE ARG A 52 -6.019 -12.908 -10.916 1.00 0.87 N ATOM 775 CZ ARG A 52 -7.021 -13.118 -11.764 1.00 1.19 C ATOM 776 NH1 ARG A 52 -8.278 -13.004 -11.355 1.00 1.34 N ATOM 777 NH2 ARG A 52 -6.767 -13.442 -13.024 1.00 1.51 N ATOM 0 H ARG A 52 -7.347 -11.975 -5.978 1.00 0.58 H new ATOM 0 HA ARG A 52 -5.532 -14.118 -6.892 1.00 0.58 H new ATOM 0 HB2 ARG A 52 -5.641 -11.139 -7.192 1.00 0.57 H new ATOM 0 HB3 ARG A 52 -4.042 -11.783 -6.877 1.00 0.57 H new ATOM 0 HG2 ARG A 52 -4.299 -11.576 -9.273 1.00 0.70 H new ATOM 0 HG3 ARG A 52 -4.277 -13.285 -8.886 1.00 0.70 H new ATOM 0 HD2 ARG A 52 -6.787 -13.330 -9.015 1.00 0.64 H new ATOM 0 HD3 ARG A 52 -6.785 -11.631 -9.444 1.00 0.64 H new ATOM 0 HE ARG A 52 -5.065 -13.000 -11.266 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -8.479 -12.754 -10.387 1.00 1.34 H new ATOM 0 HH12 ARG A 52 -9.044 -13.166 -12.009 1.00 1.34 H new ATOM 0 HH21 ARG A 52 -5.802 -13.530 -13.343 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -7.536 -13.603 -13.674 1.00 1.51 H new ATOM 791 N SER A 53 -5.608 -13.553 -3.944 1.00 0.53 N ATOM 792 CA SER A 53 -5.016 -13.698 -2.604 1.00 0.54 C ATOM 793 C SER A 53 -5.332 -15.081 -1.945 1.00 0.57 C ATOM 794 O SER A 53 -6.073 -15.913 -2.486 1.00 0.67 O ATOM 795 CB SER A 53 -5.522 -12.536 -1.682 1.00 0.53 C ATOM 796 OG SER A 53 -6.936 -12.571 -1.457 1.00 1.09 O ATOM 0 H SER A 53 -6.616 -13.704 -3.965 1.00 0.53 H new ATOM 0 HA SER A 53 -3.933 -13.646 -2.720 1.00 0.54 H new ATOM 0 HB2 SER A 53 -5.006 -12.590 -0.723 1.00 0.53 H new ATOM 0 HB3 SER A 53 -5.256 -11.580 -2.133 1.00 0.53 H new ATOM 0 HG SER A 53 -7.128 -13.113 -0.663 1.00 1.09 H new ATOM 802 N ASN A 54 -4.736 -15.288 -0.750 1.00 0.59 N ATOM 803 CA ASN A 54 -4.947 -16.504 0.114 1.00 0.64 C ATOM 804 C ASN A 54 -6.024 -16.137 1.205 1.00 0.63 C ATOM 805 O ASN A 54 -6.613 -15.062 1.106 1.00 0.66 O ATOM 806 CB ASN A 54 -3.619 -16.954 0.844 1.00 0.80 C ATOM 807 CG ASN A 54 -2.294 -16.741 0.094 1.00 0.85 C ATOM 808 OD1 ASN A 54 -2.196 -16.955 -1.116 1.00 1.27 O ATOM 809 ND2 ASN A 54 -1.275 -16.315 0.834 1.00 1.12 N ATOM 0 H ASN A 54 -4.086 -14.617 -0.341 1.00 0.59 H new ATOM 0 HA ASN A 54 -5.271 -17.329 -0.520 1.00 0.64 H new ATOM 0 HB2 ASN A 54 -3.559 -16.421 1.793 1.00 0.80 H new ATOM 0 HB3 ASN A 54 -3.706 -18.015 1.079 1.00 0.80 H new ATOM 0 HD21 ASN A 54 -0.365 -16.152 0.403 1.00 1.12 H new ATOM 0 HD22 ASN A 54 -1.403 -16.151 1.833 1.00 1.12 H new ATOM 816 N PRO A 55 -6.385 -16.998 2.240 1.00 0.71 N ATOM 817 CA PRO A 55 -7.332 -16.571 3.347 1.00 0.75 C ATOM 818 C PRO A 55 -6.678 -15.524 4.299 1.00 0.74 C ATOM 819 O PRO A 55 -7.271 -14.478 4.649 1.00 0.80 O ATOM 820 CB PRO A 55 -7.617 -17.886 4.109 1.00 0.89 C ATOM 821 CG PRO A 55 -7.249 -18.969 3.131 1.00 0.95 C ATOM 822 CD PRO A 55 -6.045 -18.430 2.383 1.00 0.83 C ATOM 0 HA PRO A 55 -8.229 -16.091 2.956 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -7.023 -17.954 5.020 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -8.664 -17.956 4.405 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -7.010 -19.900 3.645 1.00 0.95 H new ATOM 0 HG3 PRO A 55 -8.073 -19.183 2.450 1.00 0.95 H new ATOM 0 HD2 PRO A 55 -5.120 -18.576 2.941 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -5.914 -18.916 1.416 1.00 0.83 H new ATOM 830 N GLU A 56 -5.373 -15.793 4.579 1.00 0.71 N ATOM 831 CA GLU A 56 -4.472 -14.947 5.413 1.00 0.73 C ATOM 832 C GLU A 56 -4.111 -13.610 4.707 1.00 0.65 C ATOM 833 O GLU A 56 -4.332 -12.505 5.236 1.00 0.67 O ATOM 834 CB GLU A 56 -3.161 -15.730 5.680 1.00 0.80 C ATOM 835 CG GLU A 56 -3.277 -16.895 6.680 1.00 0.97 C ATOM 836 CD GLU A 56 -3.588 -16.444 8.100 1.00 1.48 C ATOM 837 OE1 GLU A 56 -2.640 -16.081 8.829 1.00 1.63 O ATOM 838 OE2 GLU A 56 -4.778 -16.452 8.481 1.00 2.04 O ATOM 0 H GLU A 56 -4.906 -16.626 4.222 1.00 0.71 H new ATOM 0 HA GLU A 56 -4.994 -14.713 6.341 1.00 0.73 H new ATOM 0 HB2 GLU A 56 -2.794 -16.123 4.732 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -2.410 -15.031 6.048 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.059 -17.576 6.344 1.00 0.97 H new ATOM 0 HG3 GLU A 56 -2.343 -17.457 6.682 1.00 0.97 H new ATOM 845 N ASP A 57 -3.650 -13.743 3.441 1.00 0.62 N ATOM 846 CA ASP A 57 -3.271 -12.610 2.574 1.00 0.58 C ATOM 847 C ASP A 57 -4.528 -11.841 1.981 1.00 0.52 C ATOM 848 O ASP A 57 -4.388 -10.761 1.397 1.00 0.53 O ATOM 849 CB ASP A 57 -2.329 -13.177 1.500 1.00 0.60 C ATOM 850 CG ASP A 57 -1.395 -12.173 0.825 1.00 1.08 C ATOM 851 OD1 ASP A 57 -1.232 -11.059 1.368 1.00 1.62 O ATOM 852 OD2 ASP A 57 -0.838 -12.500 -0.244 1.00 1.62 O ATOM 0 H ASP A 57 -3.531 -14.651 2.991 1.00 0.62 H new ATOM 0 HA ASP A 57 -2.756 -11.839 3.147 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -1.721 -13.958 1.955 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -2.935 -13.653 0.729 1.00 0.60 H new ATOM 857 N GLN A 58 -5.759 -12.423 2.194 1.00 0.52 N ATOM 858 CA GLN A 58 -7.072 -11.805 1.854 1.00 0.51 C ATOM 859 C GLN A 58 -7.338 -10.664 2.864 1.00 0.50 C ATOM 860 O GLN A 58 -7.642 -9.554 2.478 1.00 0.49 O ATOM 861 CB GLN A 58 -8.201 -12.855 1.955 1.00 0.60 C ATOM 862 CG GLN A 58 -9.612 -12.350 1.607 1.00 0.84 C ATOM 863 CD GLN A 58 -10.704 -13.235 2.188 1.00 0.91 C ATOM 864 OE1 GLN A 58 -10.549 -14.453 2.297 1.00 1.16 O ATOM 865 NE2 GLN A 58 -11.820 -12.623 2.569 1.00 1.77 N ATOM 0 H GLN A 58 -5.856 -13.348 2.613 1.00 0.52 H new ATOM 0 HA GLN A 58 -7.049 -11.421 0.834 1.00 0.51 H new ATOM 0 HB2 GLN A 58 -7.959 -13.687 1.294 1.00 0.60 H new ATOM 0 HB3 GLN A 58 -8.216 -13.249 2.971 1.00 0.60 H new ATOM 0 HG2 GLN A 58 -9.734 -11.334 1.982 1.00 0.84 H new ATOM 0 HG3 GLN A 58 -9.722 -12.306 0.523 1.00 0.84 H new ATOM 0 HE21 GLN A 58 -11.909 -11.613 2.462 1.00 1.77 H new ATOM 0 HE22 GLN A 58 -12.587 -13.164 2.968 1.00 1.77 H new ATOM 874 N VAL A 59 -7.109 -10.974 4.179 1.00 0.52 N ATOM 875 CA VAL A 59 -7.200 -9.977 5.328 1.00 0.54 C ATOM 876 C VAL A 59 -6.149 -8.808 5.130 1.00 0.52 C ATOM 877 O VAL A 59 -6.483 -7.646 5.343 1.00 0.55 O ATOM 878 CB VAL A 59 -6.993 -10.668 6.777 1.00 0.55 C ATOM 879 CG1 VAL A 59 -7.145 -9.702 7.991 1.00 0.80 C ATOM 880 CG2 VAL A 59 -7.977 -11.815 7.025 1.00 0.81 C ATOM 0 H VAL A 59 -6.857 -11.914 4.484 1.00 0.52 H new ATOM 0 HA VAL A 59 -8.211 -9.569 5.309 1.00 0.54 H new ATOM 0 HB VAL A 59 -5.963 -11.021 6.723 1.00 0.55 H new ATOM 0 HG11 VAL A 59 -6.989 -10.255 8.917 1.00 0.80 H new ATOM 0 HG12 VAL A 59 -6.406 -8.904 7.916 1.00 0.80 H new ATOM 0 HG13 VAL A 59 -8.146 -9.271 7.990 1.00 0.80 H new ATOM 0 HG21 VAL A 59 -7.795 -12.244 8.011 1.00 0.81 H new ATOM 0 HG22 VAL A 59 -8.998 -11.436 6.977 1.00 0.81 H new ATOM 0 HG23 VAL A 59 -7.839 -12.583 6.264 1.00 0.81 H new ATOM 890 N LEU A 60 -4.903 -9.146 4.693 1.00 0.49 N ATOM 891 CA LEU A 60 -3.849 -8.125 4.434 1.00 0.48 C ATOM 892 C LEU A 60 -4.000 -7.367 3.063 1.00 0.49 C ATOM 893 O LEU A 60 -3.286 -6.414 2.822 1.00 0.65 O ATOM 894 CB LEU A 60 -2.467 -8.804 4.499 1.00 0.52 C ATOM 895 CG LEU A 60 -1.203 -7.892 4.663 1.00 0.71 C ATOM 896 CD1 LEU A 60 -1.003 -7.366 6.087 1.00 1.15 C ATOM 897 CD2 LEU A 60 0.077 -8.600 4.221 1.00 0.90 C ATOM 0 H LEU A 60 -4.607 -10.106 4.515 1.00 0.49 H new ATOM 0 HA LEU A 60 -3.959 -7.365 5.207 1.00 0.48 H new ATOM 0 HB2 LEU A 60 -2.480 -9.508 5.331 1.00 0.52 H new ATOM 0 HB3 LEU A 60 -2.340 -9.389 3.588 1.00 0.52 H new ATOM 0 HG LEU A 60 -1.399 -7.040 4.012 1.00 0.71 H new ATOM 0 HD11 LEU A 60 -0.109 -6.743 6.123 1.00 1.15 H new ATOM 0 HD12 LEU A 60 -1.870 -6.774 6.381 1.00 1.15 H new ATOM 0 HD13 LEU A 60 -0.887 -8.206 6.772 1.00 1.15 H new ATOM 0 HD21 LEU A 60 0.927 -7.930 4.352 1.00 0.90 H new ATOM 0 HD22 LEU A 60 0.224 -9.496 4.824 1.00 0.90 H new ATOM 0 HD23 LEU A 60 -0.006 -8.879 3.171 1.00 0.90 H new ATOM 909 N TYR A 61 -4.879 -7.845 2.170 1.00 0.44 N ATOM 910 CA TYR A 61 -5.173 -7.175 0.869 1.00 0.45 C ATOM 911 C TYR A 61 -6.707 -6.875 0.679 1.00 0.47 C ATOM 912 O TYR A 61 -7.163 -6.668 -0.451 1.00 0.52 O ATOM 913 CB TYR A 61 -4.669 -8.020 -0.325 1.00 0.44 C ATOM 914 CG TYR A 61 -3.147 -8.330 -0.435 1.00 0.46 C ATOM 915 CD1 TYR A 61 -2.156 -7.611 0.252 1.00 0.70 C ATOM 916 CD2 TYR A 61 -2.710 -9.370 -1.265 1.00 0.76 C ATOM 917 CE1 TYR A 61 -0.810 -7.921 0.116 1.00 0.72 C ATOM 918 CE2 TYR A 61 -1.364 -9.674 -1.400 1.00 0.92 C ATOM 919 CZ TYR A 61 -0.425 -8.949 -0.707 1.00 0.72 C ATOM 920 OH TYR A 61 0.911 -9.251 -0.844 1.00 0.88 O ATOM 0 H TYR A 61 -5.411 -8.703 2.317 1.00 0.44 H new ATOM 0 HA TYR A 61 -4.640 -6.225 0.894 1.00 0.45 H new ATOM 0 HB2 TYR A 61 -5.199 -8.972 -0.302 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -4.969 -7.510 -1.240 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -2.448 -6.798 0.901 1.00 0.70 H new ATOM 0 HD2 TYR A 61 -3.439 -9.949 -1.813 1.00 0.76 H new ATOM 0 HE1 TYR A 61 -0.067 -7.354 0.657 1.00 0.72 H new ATOM 0 HE2 TYR A 61 -1.054 -10.480 -2.049 1.00 0.92 H new ATOM 0 HH TYR A 61 1.014 -10.005 -1.462 1.00 0.88 H new ATOM 930 N GLN A 62 -7.482 -6.839 1.791 1.00 0.50 N ATOM 931 CA GLN A 62 -8.974 -6.609 1.749 1.00 0.57 C ATOM 932 C GLN A 62 -9.545 -5.650 2.836 1.00 0.70 C ATOM 933 O GLN A 62 -10.576 -5.016 2.592 1.00 1.33 O ATOM 934 CB GLN A 62 -9.718 -7.970 1.882 1.00 0.57 C ATOM 935 CG GLN A 62 -11.236 -7.974 1.552 1.00 0.75 C ATOM 936 CD GLN A 62 -12.094 -8.291 2.767 1.00 0.77 C ATOM 937 OE1 GLN A 62 -12.234 -9.573 3.079 1.00 1.26 O flip ATOM 938 NE2 GLN A 62 -12.606 -7.389 3.430 1.00 1.02 N flip ATOM 0 H GLN A 62 -7.113 -6.965 2.733 1.00 0.50 H new ATOM 0 HA GLN A 62 -9.144 -6.122 0.789 1.00 0.57 H new ATOM 0 HB2 GLN A 62 -9.227 -8.691 1.229 1.00 0.57 H new ATOM 0 HB3 GLN A 62 -9.592 -8.328 2.904 1.00 0.57 H new ATOM 0 HG2 GLN A 62 -11.521 -7.000 1.154 1.00 0.75 H new ATOM 0 HG3 GLN A 62 -11.433 -8.708 0.770 1.00 0.75 H new ATOM 0 HE21 GLN A 62 -12.473 -6.416 3.155 1.00 1.02 H new ATOM 0 HE22 GLN A 62 -13.163 -7.615 4.254 1.00 1.02 H new ATOM 947 N THR A 63 -8.899 -5.538 4.022 1.00 0.58 N ATOM 948 CA THR A 63 -9.406 -4.679 5.166 1.00 0.62 C ATOM 949 C THR A 63 -9.124 -3.137 4.974 1.00 0.76 C ATOM 950 O THR A 63 -7.998 -2.744 4.662 1.00 1.28 O ATOM 951 CB THR A 63 -8.858 -5.190 6.569 1.00 0.59 C ATOM 952 OG1 THR A 63 -7.426 -5.279 6.583 1.00 0.63 O ATOM 953 CG2 THR A 63 -9.445 -6.561 6.980 1.00 0.60 C ATOM 0 H THR A 63 -8.026 -6.023 4.230 1.00 0.58 H new ATOM 0 HA THR A 63 -10.490 -4.792 5.157 1.00 0.62 H new ATOM 0 HB THR A 63 -9.185 -4.443 7.292 1.00 0.59 H new ATOM 0 HG1 THR A 63 -7.146 -6.110 6.146 1.00 0.63 H new ATOM 0 HG21 THR A 63 -9.035 -6.858 7.945 1.00 0.60 H new ATOM 0 HG22 THR A 63 -10.530 -6.485 7.055 1.00 0.60 H new ATOM 0 HG23 THR A 63 -9.185 -7.308 6.230 1.00 0.60 H new ATOM 961 N GLU A 64 -10.178 -2.290 5.175 1.00 0.57 N ATOM 962 CA GLU A 64 -10.089 -0.803 4.963 1.00 0.60 C ATOM 963 C GLU A 64 -10.343 0.065 6.218 1.00 0.64 C ATOM 964 O GLU A 64 -11.243 -0.200 7.012 1.00 0.69 O ATOM 965 CB GLU A 64 -11.103 -0.332 3.887 1.00 0.67 C ATOM 966 CG GLU A 64 -12.406 -1.146 3.810 1.00 0.84 C ATOM 967 CD GLU A 64 -13.366 -0.606 2.767 1.00 1.07 C ATOM 968 OE1 GLU A 64 -14.179 0.278 3.109 1.00 1.50 O ATOM 969 OE2 GLU A 64 -13.306 -1.068 1.607 1.00 1.53 O ATOM 0 H GLU A 64 -11.098 -2.606 5.482 1.00 0.57 H new ATOM 0 HA GLU A 64 -9.053 -0.657 4.657 1.00 0.60 H new ATOM 0 HB2 GLU A 64 -11.356 0.710 4.082 1.00 0.67 H new ATOM 0 HB3 GLU A 64 -10.615 -0.365 2.913 1.00 0.67 H new ATOM 0 HG2 GLU A 64 -12.169 -2.184 3.578 1.00 0.84 H new ATOM 0 HG3 GLU A 64 -12.893 -1.140 4.785 1.00 0.84 H new ATOM 976 N ARG A 65 -9.536 1.143 6.337 1.00 0.74 N ATOM 977 CA ARG A 65 -9.625 2.123 7.445 1.00 0.91 C ATOM 978 C ARG A 65 -10.015 3.528 6.929 1.00 1.19 C ATOM 979 O ARG A 65 -9.395 4.057 5.996 1.00 2.12 O ATOM 980 CB ARG A 65 -8.265 2.221 8.177 1.00 0.98 C ATOM 981 CG ARG A 65 -8.299 1.927 9.696 1.00 0.90 C ATOM 982 CD ARG A 65 -6.917 2.110 10.370 1.00 0.96 C ATOM 983 NE ARG A 65 -6.444 3.498 10.295 1.00 1.63 N ATOM 984 CZ ARG A 65 -6.735 4.442 11.195 1.00 2.39 C ATOM 985 NH1 ARG A 65 -7.508 4.168 12.240 1.00 2.86 N ATOM 986 NH2 ARG A 65 -6.262 5.669 11.040 1.00 3.22 N ATOM 0 H ARG A 65 -8.801 1.359 5.664 1.00 0.74 H new ATOM 0 HA ARG A 65 -10.398 1.774 8.130 1.00 0.91 H new ATOM 0 HB2 ARG A 65 -7.569 1.527 7.706 1.00 0.98 H new ATOM 0 HB3 ARG A 65 -7.864 3.224 8.028 1.00 0.98 H new ATOM 0 HG2 ARG A 65 -9.022 2.588 10.174 1.00 0.90 H new ATOM 0 HG3 ARG A 65 -8.645 0.906 9.857 1.00 0.90 H new ATOM 0 HD2 ARG A 65 -6.981 1.805 11.415 1.00 0.96 H new ATOM 0 HD3 ARG A 65 -6.191 1.454 9.890 1.00 0.96 H new ATOM 0 HE ARG A 65 -5.855 3.759 9.504 1.00 1.63 H new ATOM 0 HH11 ARG A 65 -7.886 3.229 12.362 1.00 2.86 H new ATOM 0 HH12 ARG A 65 -7.723 4.897 12.920 1.00 2.86 H new ATOM 0 HH21 ARG A 65 -5.677 5.892 10.235 1.00 3.22 H new ATOM 0 HH22 ARG A 65 -6.483 6.391 11.726 1.00 3.22 H new ATOM 1000 N TYR A 66 -11.038 4.128 7.562 1.00 0.77 N ATOM 1001 CA TYR A 66 -11.531 5.470 7.187 1.00 0.92 C ATOM 1002 C TYR A 66 -11.544 6.424 8.403 1.00 1.10 C ATOM 1003 O TYR A 66 -12.059 6.079 9.475 1.00 1.80 O ATOM 1004 CB TYR A 66 -12.947 5.356 6.577 1.00 1.58 C ATOM 1005 CG TYR A 66 -13.431 6.612 5.828 1.00 1.83 C ATOM 1006 CD1 TYR A 66 -12.928 6.927 4.563 1.00 2.21 C ATOM 1007 CD2 TYR A 66 -14.381 7.480 6.384 1.00 2.35 C ATOM 1008 CE1 TYR A 66 -13.354 8.056 3.883 1.00 2.72 C ATOM 1009 CE2 TYR A 66 -14.806 8.608 5.701 1.00 2.90 C ATOM 1010 CZ TYR A 66 -14.289 8.889 4.455 1.00 2.96 C ATOM 1011 OH TYR A 66 -14.710 10.009 3.776 1.00 3.66 O ATOM 0 H TYR A 66 -11.543 3.704 8.340 1.00 0.77 H new ATOM 0 HA TYR A 66 -10.852 5.889 6.444 1.00 0.92 H new ATOM 0 HB2 TYR A 66 -12.964 4.511 5.889 1.00 1.58 H new ATOM 0 HB3 TYR A 66 -13.654 5.131 7.375 1.00 1.58 H new ATOM 0 HD1 TYR A 66 -12.194 6.279 4.107 1.00 2.21 H new ATOM 0 HD2 TYR A 66 -14.788 7.266 7.361 1.00 2.35 H new ATOM 0 HE1 TYR A 66 -12.953 8.282 2.906 1.00 2.72 H new ATOM 0 HE2 TYR A 66 -15.540 9.265 6.144 1.00 2.90 H new ATOM 0 HH TYR A 66 -15.372 10.489 4.316 1.00 3.66 H new ATOM 1021 N ASN A 67 -10.985 7.636 8.213 1.00 1.30 N ATOM 1022 CA ASN A 67 -10.914 8.639 9.294 1.00 1.97 C ATOM 1023 C ASN A 67 -11.319 10.063 8.836 1.00 1.59 C ATOM 1024 O ASN A 67 -12.410 10.524 9.184 1.00 1.69 O ATOM 1025 CB ASN A 67 -9.507 8.653 9.922 1.00 3.06 C ATOM 1026 CG ASN A 67 -9.465 8.002 11.302 1.00 3.99 C ATOM 1027 OD1 ASN A 67 -9.614 8.676 12.321 1.00 4.39 O ATOM 1028 ND2 ASN A 67 -9.268 6.690 11.333 1.00 4.70 N ATOM 0 H ASN A 67 -10.579 7.942 7.329 1.00 1.30 H new ATOM 0 HA ASN A 67 -11.645 8.338 10.045 1.00 1.97 H new ATOM 0 HB2 ASN A 67 -8.814 8.134 9.260 1.00 3.06 H new ATOM 0 HB3 ASN A 67 -9.160 9.683 10.001 1.00 3.06 H new ATOM 0 HD21 ASN A 67 -9.235 6.200 12.227 1.00 4.70 H new ATOM 0 HD22 ASN A 67 -9.149 6.171 10.463 1.00 4.70 H new ATOM 1035 N GLU A 68 -10.447 10.760 8.061 1.00 1.31 N ATOM 1036 CA GLU A 68 -10.745 12.136 7.617 1.00 1.11 C ATOM 1037 C GLU A 68 -10.430 12.375 6.103 1.00 0.91 C ATOM 1038 O GLU A 68 -11.025 11.719 5.242 1.00 1.18 O ATOM 1039 CB GLU A 68 -10.005 13.139 8.547 1.00 1.42 C ATOM 1040 CG GLU A 68 -10.561 14.575 8.536 1.00 1.26 C ATOM 1041 CD GLU A 68 -9.748 15.515 9.407 1.00 1.99 C ATOM 1042 OE1 GLU A 68 -8.697 16.001 8.937 1.00 2.55 O ATOM 1043 OE2 GLU A 68 -10.162 15.766 10.559 1.00 2.25 O ATOM 0 H GLU A 68 -9.550 10.395 7.739 1.00 1.31 H new ATOM 0 HA GLU A 68 -11.819 12.300 7.701 1.00 1.11 H new ATOM 0 HB2 GLU A 68 -10.043 12.759 9.568 1.00 1.42 H new ATOM 0 HB3 GLU A 68 -8.955 13.171 8.258 1.00 1.42 H new ATOM 0 HG2 GLU A 68 -10.572 14.950 7.513 1.00 1.26 H new ATOM 0 HG3 GLU A 68 -11.594 14.565 8.883 1.00 1.26 H new ATOM 1050 N ASP A 69 -9.495 13.311 5.790 1.00 0.76 N ATOM 1051 CA ASP A 69 -9.132 13.688 4.398 1.00 0.75 C ATOM 1052 C ASP A 69 -7.700 14.255 4.351 1.00 0.69 C ATOM 1053 O ASP A 69 -7.360 15.166 5.117 1.00 1.33 O ATOM 1054 CB ASP A 69 -10.114 14.744 3.838 1.00 1.17 C ATOM 1055 CG ASP A 69 -11.213 14.163 2.948 1.00 1.63 C ATOM 1056 OD1 ASP A 69 -10.903 13.274 2.127 1.00 2.06 O ATOM 1057 OD2 ASP A 69 -12.377 14.598 3.074 1.00 2.15 O ATOM 0 H ASP A 69 -8.971 13.826 6.498 1.00 0.76 H new ATOM 0 HA ASP A 69 -9.189 12.789 3.785 1.00 0.75 H new ATOM 0 HB2 ASP A 69 -10.577 15.272 4.671 1.00 1.17 H new ATOM 0 HB3 ASP A 69 -9.551 15.482 3.267 1.00 1.17 H new ATOM 1062 N SER A 70 -6.855 13.703 3.419 1.00 0.72 N ATOM 1063 CA SER A 70 -5.401 14.067 3.232 1.00 0.57 C ATOM 1064 C SER A 70 -4.557 13.456 4.368 1.00 0.53 C ATOM 1065 O SER A 70 -4.218 14.137 5.345 1.00 0.57 O ATOM 1066 CB SER A 70 -5.182 15.596 3.131 1.00 0.70 C ATOM 1067 OG SER A 70 -4.308 15.925 2.062 1.00 0.77 O ATOM 0 H SER A 70 -7.166 12.983 2.767 1.00 0.72 H new ATOM 0 HA SER A 70 -5.074 13.648 2.281 1.00 0.57 H new ATOM 0 HB2 SER A 70 -6.141 16.093 2.985 1.00 0.70 H new ATOM 0 HB3 SER A 70 -4.769 15.969 4.068 1.00 0.70 H new ATOM 0 HG SER A 70 -4.191 16.897 2.023 1.00 0.77 H new ATOM 1073 N PHE A 71 -4.231 12.161 4.226 1.00 0.49 N ATOM 1074 CA PHE A 71 -3.514 11.444 5.297 1.00 0.47 C ATOM 1075 C PHE A 71 -2.481 10.438 4.768 1.00 0.33 C ATOM 1076 O PHE A 71 -2.544 9.991 3.618 1.00 0.39 O ATOM 1077 CB PHE A 71 -4.531 10.798 6.304 1.00 0.66 C ATOM 1078 CG PHE A 71 -5.661 9.932 5.720 1.00 0.54 C ATOM 1079 CD1 PHE A 71 -6.756 10.502 5.054 1.00 0.75 C ATOM 1080 CD2 PHE A 71 -5.600 8.538 5.798 1.00 0.73 C ATOM 1081 CE1 PHE A 71 -7.752 9.701 4.501 1.00 0.81 C ATOM 1082 CE2 PHE A 71 -6.592 7.746 5.238 1.00 0.78 C ATOM 1083 CZ PHE A 71 -7.771 8.384 4.716 1.00 0.67 C ATOM 0 H PHE A 71 -4.445 11.599 3.402 1.00 0.49 H new ATOM 0 HA PHE A 71 -2.927 12.182 5.843 1.00 0.47 H new ATOM 0 HB2 PHE A 71 -3.965 10.184 7.005 1.00 0.66 H new ATOM 0 HB3 PHE A 71 -4.988 11.602 6.881 1.00 0.66 H new ATOM 0 HD1 PHE A 71 -6.828 11.576 4.969 1.00 0.75 H new ATOM 0 HD2 PHE A 71 -4.768 8.070 6.302 1.00 0.73 H new ATOM 0 HE1 PHE A 71 -8.520 10.152 3.890 1.00 0.81 H new ATOM 0 HE2 PHE A 71 -6.481 6.673 5.195 1.00 0.78 H new ATOM 0 HZ PHE A 71 -8.658 7.806 4.501 1.00 0.67 H new ATOM 1093 N GLY A 72 -1.491 10.133 5.619 1.00 0.31 N ATOM 1094 CA GLY A 72 -0.437 9.205 5.235 1.00 0.41 C ATOM 1095 C GLY A 72 0.388 8.652 6.390 1.00 0.33 C ATOM 1096 O GLY A 72 -0.016 8.693 7.556 1.00 0.47 O ATOM 0 H GLY A 72 -1.405 10.513 6.562 1.00 0.31 H new ATOM 0 HA2 GLY A 72 -0.887 8.370 4.698 1.00 0.41 H new ATOM 0 HA3 GLY A 72 0.233 9.708 4.538 1.00 0.41 H new ATOM 1100 N TYR A 73 1.576 8.131 6.039 1.00 0.28 N ATOM 1101 CA TYR A 73 2.489 7.510 7.020 1.00 0.24 C ATOM 1102 C TYR A 73 3.952 7.990 6.865 1.00 0.21 C ATOM 1103 O TYR A 73 4.359 8.526 5.817 1.00 0.27 O ATOM 1104 CB TYR A 73 2.460 5.960 6.916 1.00 0.36 C ATOM 1105 CG TYR A 73 1.128 5.344 6.446 1.00 0.33 C ATOM 1106 CD1 TYR A 73 0.788 5.351 5.094 1.00 0.47 C ATOM 1107 CD2 TYR A 73 0.222 4.754 7.336 1.00 0.48 C ATOM 1108 CE1 TYR A 73 -0.388 4.800 4.644 1.00 0.63 C ATOM 1109 CE2 TYR A 73 -0.965 4.199 6.879 1.00 0.62 C ATOM 1110 CZ TYR A 73 -1.258 4.227 5.533 1.00 0.68 C ATOM 1111 OH TYR A 73 -2.429 3.683 5.073 1.00 0.89 O ATOM 0 H TYR A 73 1.929 8.127 5.082 1.00 0.28 H new ATOM 0 HA TYR A 73 2.126 7.824 7.998 1.00 0.24 H new ATOM 0 HB2 TYR A 73 3.246 5.646 6.229 1.00 0.36 H new ATOM 0 HB3 TYR A 73 2.706 5.544 7.893 1.00 0.36 H new ATOM 0 HD1 TYR A 73 1.465 5.800 4.383 1.00 0.47 H new ATOM 0 HD2 TYR A 73 0.450 4.731 8.391 1.00 0.48 H new ATOM 0 HE1 TYR A 73 -0.626 4.819 3.591 1.00 0.63 H new ATOM 0 HE2 TYR A 73 -1.656 3.747 7.575 1.00 0.62 H new ATOM 0 HH TYR A 73 -2.299 3.352 4.160 1.00 0.89 H new ATOM 1121 N ASP A 74 4.744 7.732 7.928 1.00 0.17 N ATOM 1122 CA ASP A 74 6.168 8.134 8.007 1.00 0.16 C ATOM 1123 C ASP A 74 7.128 6.923 8.127 1.00 0.15 C ATOM 1124 O ASP A 74 6.932 6.038 8.967 1.00 0.24 O ATOM 1125 CB ASP A 74 6.373 9.058 9.226 1.00 0.21 C ATOM 1126 CG ASP A 74 6.086 10.532 8.947 1.00 0.26 C ATOM 1127 OD1 ASP A 74 5.165 10.820 8.155 1.00 0.51 O ATOM 1128 OD2 ASP A 74 6.778 11.393 9.532 1.00 0.40 O ATOM 0 H ASP A 74 4.415 7.238 8.758 1.00 0.17 H new ATOM 0 HA ASP A 74 6.406 8.652 7.078 1.00 0.16 H new ATOM 0 HB2 ASP A 74 5.727 8.720 10.037 1.00 0.21 H new ATOM 0 HB3 ASP A 74 7.401 8.959 9.575 1.00 0.21 H new ATOM 1133 N ILE A 75 8.182 6.921 7.285 1.00 0.10 N ATOM 1134 CA ILE A 75 9.208 5.850 7.271 1.00 0.09 C ATOM 1135 C ILE A 75 10.630 6.477 7.466 1.00 0.08 C ATOM 1136 O ILE A 75 11.188 7.006 6.509 1.00 0.12 O ATOM 1137 CB ILE A 75 9.178 4.998 5.917 1.00 0.11 C ATOM 1138 CG1 ILE A 75 7.743 4.597 5.509 1.00 0.13 C ATOM 1139 CG2 ILE A 75 10.024 3.693 5.990 1.00 0.14 C ATOM 1140 CD1 ILE A 75 7.195 5.313 4.291 1.00 0.15 C ATOM 0 H ILE A 75 8.348 7.656 6.598 1.00 0.10 H new ATOM 0 HA ILE A 75 8.980 5.170 8.092 1.00 0.09 H new ATOM 0 HB ILE A 75 9.612 5.666 5.173 1.00 0.11 H new ATOM 0 HG12 ILE A 75 7.723 3.524 5.320 1.00 0.13 H new ATOM 0 HG13 ILE A 75 7.077 4.785 6.351 1.00 0.13 H new ATOM 0 HG21 ILE A 75 9.960 3.164 5.039 1.00 0.14 H new ATOM 0 HG22 ILE A 75 11.064 3.945 6.195 1.00 0.14 H new ATOM 0 HG23 ILE A 75 9.641 3.055 6.787 1.00 0.14 H new ATOM 0 HD11 ILE A 75 6.183 4.962 4.087 1.00 0.15 H new ATOM 0 HD12 ILE A 75 7.176 6.387 4.478 1.00 0.15 H new ATOM 0 HD13 ILE A 75 7.831 5.106 3.430 1.00 0.15 H new ATOM 1152 N PRO A 76 11.232 6.449 8.700 1.00 0.09 N ATOM 1153 CA PRO A 76 12.601 6.970 8.921 1.00 0.10 C ATOM 1154 C PRO A 76 13.738 5.967 8.569 1.00 0.09 C ATOM 1155 O PRO A 76 13.839 4.888 9.163 1.00 0.11 O ATOM 1156 CB PRO A 76 12.590 7.327 10.408 1.00 0.14 C ATOM 1157 CG PRO A 76 11.685 6.294 11.030 1.00 0.15 C ATOM 1158 CD PRO A 76 10.624 5.981 9.974 1.00 0.12 C ATOM 0 HA PRO A 76 12.822 7.810 8.263 1.00 0.10 H new ATOM 0 HB2 PRO A 76 13.592 7.287 10.835 1.00 0.14 H new ATOM 0 HB3 PRO A 76 12.214 8.337 10.572 1.00 0.14 H new ATOM 0 HG2 PRO A 76 12.243 5.398 11.302 1.00 0.15 H new ATOM 0 HG3 PRO A 76 11.228 6.674 11.944 1.00 0.15 H new ATOM 0 HD2 PRO A 76 10.398 4.915 9.940 1.00 0.12 H new ATOM 0 HD3 PRO A 76 9.688 6.499 10.183 1.00 0.12 H new ATOM 1166 N ILE A 77 14.573 6.355 7.587 1.00 0.09 N ATOM 1167 CA ILE A 77 15.697 5.518 7.105 1.00 0.10 C ATOM 1168 C ILE A 77 17.076 6.233 7.322 1.00 0.13 C ATOM 1169 O ILE A 77 17.169 7.462 7.428 1.00 0.19 O ATOM 1170 CB ILE A 77 15.511 5.112 5.573 1.00 0.12 C ATOM 1171 CG1 ILE A 77 14.017 4.927 5.200 1.00 0.11 C ATOM 1172 CG2 ILE A 77 16.238 3.772 5.204 1.00 0.18 C ATOM 1173 CD1 ILE A 77 13.402 5.957 4.271 1.00 0.19 C ATOM 0 H ILE A 77 14.492 7.251 7.106 1.00 0.09 H new ATOM 0 HA ILE A 77 15.692 4.603 7.698 1.00 0.10 H new ATOM 0 HB ILE A 77 15.952 5.939 5.016 1.00 0.12 H new ATOM 0 HG12 ILE A 77 13.903 3.946 4.740 1.00 0.11 H new ATOM 0 HG13 ILE A 77 13.437 4.915 6.123 1.00 0.11 H new ATOM 0 HG21 ILE A 77 16.075 3.548 4.150 1.00 0.18 H new ATOM 0 HG22 ILE A 77 17.307 3.874 5.393 1.00 0.18 H new ATOM 0 HG23 ILE A 77 15.838 2.961 5.813 1.00 0.18 H new ATOM 0 HD11 ILE A 77 12.356 5.708 4.093 1.00 0.19 H new ATOM 0 HD12 ILE A 77 13.468 6.944 4.728 1.00 0.19 H new ATOM 0 HD13 ILE A 77 13.940 5.959 3.323 1.00 0.19 H new ATOM 1185 N LYS A 78 18.132 5.405 7.370 1.00 0.15 N ATOM 1186 CA LYS A 78 19.527 5.855 7.555 1.00 0.20 C ATOM 1187 C LYS A 78 20.535 4.973 6.756 1.00 0.21 C ATOM 1188 O LYS A 78 21.742 5.026 7.018 1.00 0.25 O ATOM 1189 CB LYS A 78 19.910 5.825 9.058 1.00 0.27 C ATOM 1190 CG LYS A 78 19.215 6.886 9.953 1.00 0.87 C ATOM 1191 CD LYS A 78 19.841 8.299 9.829 1.00 1.32 C ATOM 1192 CE LYS A 78 19.163 9.322 10.756 1.00 1.91 C ATOM 1193 NZ LYS A 78 19.758 10.679 10.605 1.00 2.53 N ATOM 0 H LYS A 78 18.043 4.393 7.281 1.00 0.15 H new ATOM 0 HA LYS A 78 19.586 6.875 7.175 1.00 0.20 H new ATOM 0 HB2 LYS A 78 19.678 4.836 9.453 1.00 0.27 H new ATOM 0 HB3 LYS A 78 20.989 5.957 9.141 1.00 0.27 H new ATOM 0 HG2 LYS A 78 18.159 6.940 9.688 1.00 0.87 H new ATOM 0 HG3 LYS A 78 19.266 6.564 10.993 1.00 0.87 H new ATOM 0 HD2 LYS A 78 20.903 8.245 10.067 1.00 1.32 H new ATOM 0 HD3 LYS A 78 19.762 8.639 8.797 1.00 1.32 H new ATOM 0 HE2 LYS A 78 18.097 9.365 10.533 1.00 1.91 H new ATOM 0 HE3 LYS A 78 19.259 8.995 11.791 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 19.276 11.342 11.245 1.00 2.53 H new ATOM 0 HZ2 LYS A 78 20.770 10.643 10.842 1.00 2.53 H new ATOM 0 HZ3 LYS A 78 19.644 11.001 9.623 1.00 2.53 H new ATOM 1207 N GLU A 79 20.041 4.174 5.772 1.00 0.19 N ATOM 1208 CA GLU A 79 20.888 3.290 4.959 1.00 0.22 C ATOM 1209 C GLU A 79 20.649 3.499 3.449 1.00 0.20 C ATOM 1210 O GLU A 79 19.622 4.055 3.029 1.00 0.18 O ATOM 1211 CB GLU A 79 20.605 1.823 5.333 1.00 0.24 C ATOM 1212 CG GLU A 79 21.193 1.371 6.687 1.00 0.55 C ATOM 1213 CD GLU A 79 22.698 1.160 6.637 1.00 1.17 C ATOM 1214 OE1 GLU A 79 23.131 0.063 6.223 1.00 1.03 O ATOM 1215 OE2 GLU A 79 23.442 2.090 7.013 1.00 2.12 O ATOM 0 H GLU A 79 19.051 4.132 5.530 1.00 0.19 H new ATOM 0 HA GLU A 79 21.929 3.535 5.167 1.00 0.22 H new ATOM 0 HB2 GLU A 79 19.526 1.670 5.353 1.00 0.24 H new ATOM 0 HB3 GLU A 79 21.003 1.180 4.548 1.00 0.24 H new ATOM 0 HG2 GLU A 79 20.961 2.118 7.446 1.00 0.55 H new ATOM 0 HG3 GLU A 79 20.711 0.443 6.995 1.00 0.55 H new ATOM 1222 N GLU A 80 21.602 3.026 2.629 1.00 0.26 N ATOM 1223 CA GLU A 80 21.512 3.169 1.170 1.00 0.25 C ATOM 1224 C GLU A 80 21.525 1.826 0.415 1.00 0.27 C ATOM 1225 O GLU A 80 22.152 0.843 0.832 1.00 0.32 O ATOM 1226 CB GLU A 80 22.660 4.057 0.662 1.00 0.27 C ATOM 1227 CG GLU A 80 22.573 5.547 1.057 1.00 0.28 C ATOM 1228 CD GLU A 80 23.708 5.962 1.977 1.00 0.36 C ATOM 1229 OE1 GLU A 80 24.830 6.181 1.475 1.00 0.40 O ATOM 1230 OE2 GLU A 80 23.476 6.064 3.201 1.00 0.42 O ATOM 0 H GLU A 80 22.440 2.543 2.952 1.00 0.26 H new ATOM 0 HA GLU A 80 20.547 3.632 0.965 1.00 0.25 H new ATOM 0 HB2 GLU A 80 23.601 3.654 1.037 1.00 0.27 H new ATOM 0 HB3 GLU A 80 22.695 3.989 -0.425 1.00 0.27 H new ATOM 0 HG2 GLU A 80 22.593 6.162 0.157 1.00 0.28 H new ATOM 0 HG3 GLU A 80 21.620 5.736 1.551 1.00 0.28 H new ATOM 1237 N GLY A 81 20.825 1.836 -0.723 1.00 0.22 N ATOM 1238 CA GLY A 81 20.705 0.666 -1.591 1.00 0.23 C ATOM 1239 C GLY A 81 19.461 0.737 -2.470 1.00 0.19 C ATOM 1240 O GLY A 81 19.202 1.784 -3.084 1.00 0.18 O ATOM 0 H GLY A 81 20.326 2.657 -1.067 1.00 0.22 H new ATOM 0 HA2 GLY A 81 21.591 0.589 -2.221 1.00 0.23 H new ATOM 0 HA3 GLY A 81 20.668 -0.237 -0.981 1.00 0.23 H new ATOM 1244 N GLU A 82 18.683 -0.369 -2.575 1.00 0.20 N ATOM 1245 CA GLU A 82 17.450 -0.324 -3.375 1.00 0.17 C ATOM 1246 C GLU A 82 16.221 -0.688 -2.525 1.00 0.18 C ATOM 1247 O GLU A 82 15.997 -1.847 -2.193 1.00 0.30 O ATOM 1248 CB GLU A 82 17.551 -1.251 -4.602 1.00 0.19 C ATOM 1249 CG GLU A 82 18.496 -0.779 -5.722 1.00 0.26 C ATOM 1250 CD GLU A 82 18.144 -1.388 -7.067 1.00 0.86 C ATOM 1251 OE1 GLU A 82 17.178 -0.915 -7.701 1.00 0.78 O ATOM 1252 OE2 GLU A 82 18.834 -2.343 -7.483 1.00 1.75 O ATOM 0 H GLU A 82 18.882 -1.266 -2.132 1.00 0.20 H new ATOM 0 HA GLU A 82 17.326 0.699 -3.729 1.00 0.17 H new ATOM 0 HB2 GLU A 82 17.880 -2.234 -4.265 1.00 0.19 H new ATOM 0 HB3 GLU A 82 16.553 -1.376 -5.023 1.00 0.19 H new ATOM 0 HG2 GLU A 82 18.454 0.308 -5.796 1.00 0.26 H new ATOM 0 HG3 GLU A 82 19.522 -1.042 -5.464 1.00 0.26 H new ATOM 1259 N TYR A 83 15.399 0.326 -2.193 1.00 0.08 N ATOM 1260 CA TYR A 83 14.186 0.117 -1.373 1.00 0.08 C ATOM 1261 C TYR A 83 12.941 0.042 -2.259 1.00 0.08 C ATOM 1262 O TYR A 83 12.681 0.918 -3.080 1.00 0.12 O ATOM 1263 CB TYR A 83 14.034 1.211 -0.306 1.00 0.10 C ATOM 1264 CG TYR A 83 15.132 1.201 0.765 1.00 0.11 C ATOM 1265 CD1 TYR A 83 16.430 1.632 0.487 1.00 0.16 C ATOM 1266 CD2 TYR A 83 14.864 0.759 2.061 1.00 0.17 C ATOM 1267 CE1 TYR A 83 17.405 1.624 1.459 1.00 0.18 C ATOM 1268 CE2 TYR A 83 15.837 0.752 3.033 1.00 0.19 C ATOM 1269 CZ TYR A 83 17.144 1.179 2.687 1.00 0.16 C ATOM 1270 OH TYR A 83 18.080 1.188 3.691 1.00 0.21 O ATOM 0 H TYR A 83 15.550 1.294 -2.477 1.00 0.08 H new ATOM 0 HA TYR A 83 14.296 -0.835 -0.854 1.00 0.08 H new ATOM 0 HB2 TYR A 83 14.030 2.184 -0.797 1.00 0.10 H new ATOM 0 HB3 TYR A 83 13.066 1.096 0.181 1.00 0.10 H new ATOM 0 HD1 TYR A 83 16.674 1.977 -0.507 1.00 0.16 H new ATOM 0 HD2 TYR A 83 13.870 0.415 2.306 1.00 0.17 H new ATOM 0 HE1 TYR A 83 18.396 1.984 1.222 1.00 0.18 H new ATOM 0 HE2 TYR A 83 15.610 0.428 4.038 1.00 0.19 H new ATOM 0 HH TYR A 83 17.685 0.821 4.510 1.00 0.21 H new ATOM 1280 N VAL A 84 12.168 -1.026 -2.066 1.00 0.08 N ATOM 1281 CA VAL A 84 10.975 -1.296 -2.916 1.00 0.10 C ATOM 1282 C VAL A 84 9.657 -1.139 -2.124 1.00 0.10 C ATOM 1283 O VAL A 84 9.480 -1.708 -1.041 1.00 0.10 O ATOM 1284 CB VAL A 84 10.996 -2.742 -3.646 1.00 0.11 C ATOM 1285 CG1 VAL A 84 10.216 -2.748 -4.989 1.00 0.13 C ATOM 1286 CG2 VAL A 84 12.412 -3.280 -3.953 1.00 0.20 C ATOM 0 H VAL A 84 12.332 -1.722 -1.339 1.00 0.08 H new ATOM 0 HA VAL A 84 11.023 -0.540 -3.700 1.00 0.10 H new ATOM 0 HB VAL A 84 10.516 -3.389 -2.912 1.00 0.11 H new ATOM 0 HG11 VAL A 84 10.264 -3.742 -5.433 1.00 0.13 H new ATOM 0 HG12 VAL A 84 9.175 -2.482 -4.806 1.00 0.13 H new ATOM 0 HG13 VAL A 84 10.661 -2.024 -5.671 1.00 0.13 H new ATOM 0 HG21 VAL A 84 12.334 -4.251 -4.441 1.00 0.20 H new ATOM 0 HG22 VAL A 84 12.931 -2.584 -4.612 1.00 0.20 H new ATOM 0 HG23 VAL A 84 12.971 -3.385 -3.023 1.00 0.20 H new ATOM 1296 N LEU A 85 8.736 -0.363 -2.726 1.00 0.12 N ATOM 1297 CA LEU A 85 7.407 -0.142 -2.153 1.00 0.15 C ATOM 1298 C LEU A 85 6.338 -0.903 -2.968 1.00 0.16 C ATOM 1299 O LEU A 85 6.050 -0.551 -4.121 1.00 0.21 O ATOM 1300 CB LEU A 85 7.012 1.345 -2.138 1.00 0.25 C ATOM 1301 CG LEU A 85 7.948 2.335 -1.414 1.00 0.43 C ATOM 1302 CD1 LEU A 85 8.771 3.171 -2.391 1.00 0.78 C ATOM 1303 CD2 LEU A 85 7.155 3.256 -0.490 1.00 0.61 C ATOM 0 H LEU A 85 8.894 0.120 -3.611 1.00 0.12 H new ATOM 0 HA LEU A 85 7.453 -0.506 -1.127 1.00 0.15 H new ATOM 0 HB2 LEU A 85 6.913 1.675 -3.172 1.00 0.25 H new ATOM 0 HB3 LEU A 85 6.025 1.424 -1.682 1.00 0.25 H new ATOM 0 HG LEU A 85 8.639 1.736 -0.821 1.00 0.43 H new ATOM 0 HD11 LEU A 85 9.414 3.853 -1.834 1.00 0.78 H new ATOM 0 HD12 LEU A 85 9.385 2.513 -3.005 1.00 0.78 H new ATOM 0 HD13 LEU A 85 8.102 3.745 -3.032 1.00 0.78 H new ATOM 0 HD21 LEU A 85 7.836 3.945 0.009 1.00 0.61 H new ATOM 0 HD22 LEU A 85 6.431 3.822 -1.075 1.00 0.61 H new ATOM 0 HD23 LEU A 85 6.631 2.659 0.257 1.00 0.61 H new ATOM 1315 N VAL A 86 5.769 -1.954 -2.359 1.00 0.17 N ATOM 1316 CA VAL A 86 4.712 -2.783 -3.005 1.00 0.21 C ATOM 1317 C VAL A 86 3.402 -2.593 -2.190 1.00 0.21 C ATOM 1318 O VAL A 86 3.255 -3.140 -1.092 1.00 0.27 O ATOM 1319 CB VAL A 86 5.057 -4.358 -3.149 1.00 0.25 C ATOM 1320 CG1 VAL A 86 4.229 -5.052 -4.267 1.00 0.44 C ATOM 1321 CG2 VAL A 86 6.551 -4.670 -3.434 1.00 0.32 C ATOM 0 H VAL A 86 6.016 -2.259 -1.418 1.00 0.17 H new ATOM 0 HA VAL A 86 4.618 -2.434 -4.033 1.00 0.21 H new ATOM 0 HB VAL A 86 4.796 -4.751 -2.167 1.00 0.25 H new ATOM 0 HG11 VAL A 86 4.501 -6.106 -4.320 1.00 0.44 H new ATOM 0 HG12 VAL A 86 3.166 -4.962 -4.042 1.00 0.44 H new ATOM 0 HG13 VAL A 86 4.439 -4.575 -5.224 1.00 0.44 H new ATOM 0 HG21 VAL A 86 6.689 -5.748 -3.515 1.00 0.32 H new ATOM 0 HG22 VAL A 86 6.850 -4.195 -4.368 1.00 0.32 H new ATOM 0 HG23 VAL A 86 7.165 -4.286 -2.619 1.00 0.32 H new ATOM 1331 N LEU A 87 2.463 -1.823 -2.761 1.00 0.20 N ATOM 1332 CA LEU A 87 1.175 -1.535 -2.088 1.00 0.22 C ATOM 1333 C LEU A 87 -0.011 -2.186 -2.801 1.00 0.22 C ATOM 1334 O LEU A 87 -0.126 -2.115 -4.034 1.00 0.26 O ATOM 1335 CB LEU A 87 0.878 -0.001 -1.987 1.00 0.31 C ATOM 1336 CG LEU A 87 1.855 0.984 -2.697 1.00 0.50 C ATOM 1337 CD1 LEU A 87 1.115 2.210 -3.227 1.00 1.25 C ATOM 1338 CD2 LEU A 87 2.967 1.451 -1.760 1.00 0.88 C ATOM 0 H LEU A 87 2.564 -1.389 -3.679 1.00 0.20 H new ATOM 0 HA LEU A 87 1.287 -1.955 -1.088 1.00 0.22 H new ATOM 0 HB2 LEU A 87 -0.120 0.172 -2.388 1.00 0.31 H new ATOM 0 HB3 LEU A 87 0.847 0.264 -0.930 1.00 0.31 H new ATOM 0 HG LEU A 87 2.297 0.435 -3.529 1.00 0.50 H new ATOM 0 HD11 LEU A 87 1.823 2.879 -3.717 1.00 1.25 H new ATOM 0 HD12 LEU A 87 0.357 1.895 -3.944 1.00 1.25 H new ATOM 0 HD13 LEU A 87 0.636 2.732 -2.399 1.00 1.25 H new ATOM 0 HD21 LEU A 87 3.627 2.136 -2.292 1.00 0.88 H new ATOM 0 HD22 LEU A 87 2.529 1.961 -0.902 1.00 0.88 H new ATOM 0 HD23 LEU A 87 3.539 0.589 -1.416 1.00 0.88 H new ATOM 1350 N LYS A 88 -0.913 -2.814 -2.012 1.00 0.23 N ATOM 1351 CA LYS A 88 -2.123 -3.430 -2.599 1.00 0.26 C ATOM 1352 C LYS A 88 -3.370 -2.574 -2.335 1.00 0.27 C ATOM 1353 O LYS A 88 -3.798 -2.382 -1.192 1.00 0.29 O ATOM 1354 CB LYS A 88 -2.352 -4.907 -2.143 1.00 0.31 C ATOM 1355 CG LYS A 88 -3.054 -5.799 -3.199 1.00 0.46 C ATOM 1356 CD LYS A 88 -2.103 -6.264 -4.345 1.00 1.53 C ATOM 1357 CE LYS A 88 -1.365 -7.571 -4.043 1.00 2.13 C ATOM 1358 NZ LYS A 88 -0.410 -7.928 -5.127 1.00 2.52 N ATOM 0 H LYS A 88 -0.831 -2.906 -0.999 1.00 0.23 H new ATOM 0 HA LYS A 88 -1.947 -3.466 -3.674 1.00 0.26 H new ATOM 0 HB2 LYS A 88 -1.389 -5.351 -1.892 1.00 0.31 H new ATOM 0 HB3 LYS A 88 -2.949 -4.905 -1.231 1.00 0.31 H new ATOM 0 HG2 LYS A 88 -3.471 -6.676 -2.704 1.00 0.46 H new ATOM 0 HG3 LYS A 88 -3.890 -5.249 -3.631 1.00 0.46 H new ATOM 0 HD2 LYS A 88 -2.684 -6.388 -5.259 1.00 1.53 H new ATOM 0 HD3 LYS A 88 -1.371 -5.480 -4.537 1.00 1.53 H new ATOM 0 HE2 LYS A 88 -0.826 -7.475 -3.100 1.00 2.13 H new ATOM 0 HE3 LYS A 88 -2.089 -8.376 -3.916 1.00 2.13 H new ATOM 0 HZ1 LYS A 88 0.033 -8.844 -4.911 1.00 2.52 H new ATOM 0 HZ2 LYS A 88 -0.920 -7.994 -6.031 1.00 2.52 H new ATOM 0 HZ3 LYS A 88 0.325 -7.196 -5.197 1.00 2.52 H new ATOM 1372 N PHE A 89 -3.940 -2.078 -3.447 1.00 0.27 N ATOM 1373 CA PHE A 89 -5.139 -1.230 -3.431 1.00 0.29 C ATOM 1374 C PHE A 89 -6.373 -2.040 -3.886 1.00 0.31 C ATOM 1375 O PHE A 89 -6.331 -2.773 -4.883 1.00 0.32 O ATOM 1376 CB PHE A 89 -4.955 -0.039 -4.406 1.00 0.30 C ATOM 1377 CG PHE A 89 -4.306 1.229 -3.838 1.00 0.28 C ATOM 1378 CD1 PHE A 89 -4.852 1.919 -2.738 1.00 0.36 C ATOM 1379 CD2 PHE A 89 -3.128 1.726 -4.396 1.00 0.25 C ATOM 1380 CE1 PHE A 89 -4.234 3.048 -2.239 1.00 0.40 C ATOM 1381 CE2 PHE A 89 -2.518 2.857 -3.889 1.00 0.26 C ATOM 1382 CZ PHE A 89 -3.172 3.562 -2.802 1.00 0.31 C ATOM 0 H PHE A 89 -3.579 -2.256 -4.384 1.00 0.27 H new ATOM 0 HA PHE A 89 -5.287 -0.867 -2.414 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -4.353 -0.380 -5.248 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -5.934 0.229 -4.802 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -5.763 1.561 -2.281 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -2.685 1.217 -5.239 1.00 0.25 H new ATOM 0 HE1 PHE A 89 -4.640 3.521 -1.357 1.00 0.40 H new ATOM 0 HE2 PHE A 89 -1.579 3.207 -4.291 1.00 0.26 H new ATOM 0 HZ PHE A 89 -2.782 4.509 -2.459 1.00 0.31 H new ATOM 1392 N ALA A 90 -7.480 -1.896 -3.129 1.00 0.33 N ATOM 1393 CA ALA A 90 -8.764 -2.616 -3.413 1.00 0.36 C ATOM 1394 C ALA A 90 -10.007 -1.701 -3.157 1.00 0.39 C ATOM 1395 O ALA A 90 -9.947 -0.735 -2.354 1.00 0.37 O ATOM 1396 CB ALA A 90 -8.870 -3.937 -2.574 1.00 0.41 C ATOM 0 H ALA A 90 -7.522 -1.288 -2.311 1.00 0.33 H new ATOM 0 HA ALA A 90 -8.757 -2.881 -4.470 1.00 0.36 H new ATOM 0 HB1 ALA A 90 -9.811 -4.438 -2.801 1.00 0.41 H new ATOM 0 HB2 ALA A 90 -8.039 -4.596 -2.826 1.00 0.41 H new ATOM 0 HB3 ALA A 90 -8.834 -3.697 -1.511 1.00 0.41 H new ATOM 1402 N GLU A 91 -11.128 -2.001 -3.872 1.00 0.46 N ATOM 1403 CA GLU A 91 -12.395 -1.252 -3.735 1.00 0.53 C ATOM 1404 C GLU A 91 -13.629 -2.182 -3.757 1.00 0.63 C ATOM 1405 O GLU A 91 -13.764 -3.041 -4.639 1.00 1.23 O ATOM 1406 CB GLU A 91 -12.537 -0.175 -4.844 1.00 0.78 C ATOM 1407 CG GLU A 91 -12.550 -0.714 -6.286 1.00 1.80 C ATOM 1408 CD GLU A 91 -12.991 0.336 -7.289 1.00 2.04 C ATOM 1409 OE1 GLU A 91 -12.262 1.335 -7.460 1.00 2.61 O ATOM 1410 OE2 GLU A 91 -14.060 0.159 -7.909 1.00 1.94 O ATOM 0 H GLU A 91 -11.172 -2.762 -4.550 1.00 0.46 H new ATOM 0 HA GLU A 91 -12.356 -0.761 -2.763 1.00 0.53 H new ATOM 0 HB2 GLU A 91 -13.459 0.380 -4.673 1.00 0.78 H new ATOM 0 HB3 GLU A 91 -11.715 0.534 -4.746 1.00 0.78 H new ATOM 0 HG2 GLU A 91 -11.553 -1.068 -6.548 1.00 1.80 H new ATOM 0 HG3 GLU A 91 -13.219 -1.573 -6.345 1.00 1.80 H new ATOM 1417 N VAL A 92 -14.533 -1.984 -2.781 1.00 0.60 N ATOM 1418 CA VAL A 92 -15.791 -2.790 -2.673 1.00 0.76 C ATOM 1419 C VAL A 92 -17.007 -1.910 -2.239 1.00 0.66 C ATOM 1420 O VAL A 92 -17.589 -2.121 -1.168 1.00 1.19 O ATOM 1421 CB VAL A 92 -15.702 -4.105 -1.739 1.00 1.42 C ATOM 1422 CG1 VAL A 92 -15.323 -5.353 -2.563 1.00 2.13 C ATOM 1423 CG2 VAL A 92 -14.736 -4.008 -0.513 1.00 2.00 C ATOM 0 H VAL A 92 -14.429 -1.279 -2.052 1.00 0.60 H new ATOM 0 HA VAL A 92 -15.942 -3.161 -3.687 1.00 0.76 H new ATOM 0 HB VAL A 92 -16.709 -4.189 -1.330 1.00 1.42 H new ATOM 0 HG11 VAL A 92 -15.271 -6.221 -1.906 1.00 2.13 H new ATOM 0 HG12 VAL A 92 -16.077 -5.524 -3.332 1.00 2.13 H new ATOM 0 HG13 VAL A 92 -14.353 -5.197 -3.035 1.00 2.13 H new ATOM 0 HG21 VAL A 92 -14.757 -4.946 0.042 1.00 2.00 H new ATOM 0 HG22 VAL A 92 -13.722 -3.816 -0.863 1.00 2.00 H new ATOM 0 HG23 VAL A 92 -15.055 -3.194 0.138 1.00 2.00 H new ATOM 1433 N TYR A 93 -17.378 -0.923 -3.088 1.00 0.76 N ATOM 1434 CA TYR A 93 -18.521 -0.017 -2.809 1.00 0.80 C ATOM 1435 C TYR A 93 -19.015 0.725 -4.077 1.00 0.86 C ATOM 1436 O TYR A 93 -20.217 0.728 -4.354 1.00 1.46 O ATOM 1437 CB TYR A 93 -18.167 1.015 -1.709 1.00 1.23 C ATOM 1438 CG TYR A 93 -19.339 1.364 -0.772 1.00 0.97 C ATOM 1439 CD1 TYR A 93 -20.224 2.405 -1.075 1.00 1.01 C ATOM 1440 CD2 TYR A 93 -19.548 0.664 0.423 1.00 1.14 C ATOM 1441 CE1 TYR A 93 -21.269 2.729 -0.226 1.00 1.43 C ATOM 1442 CE2 TYR A 93 -20.593 0.993 1.273 1.00 1.47 C ATOM 1443 CZ TYR A 93 -21.484 1.970 0.913 1.00 1.67 C ATOM 1444 OH TYR A 93 -22.478 2.353 1.789 1.00 2.27 O ATOM 0 H TYR A 93 -16.904 -0.733 -3.971 1.00 0.76 H new ATOM 0 HA TYR A 93 -19.331 -0.655 -2.456 1.00 0.80 H new ATOM 0 HB2 TYR A 93 -17.343 0.625 -1.112 1.00 1.23 H new ATOM 0 HB3 TYR A 93 -17.812 1.929 -2.185 1.00 1.23 H new ATOM 0 HD1 TYR A 93 -20.089 2.966 -1.988 1.00 1.01 H new ATOM 0 HD2 TYR A 93 -18.884 -0.146 0.687 1.00 1.14 H new ATOM 0 HE1 TYR A 93 -21.912 3.567 -0.450 1.00 1.43 H new ATOM 0 HE2 TYR A 93 -20.705 0.480 2.217 1.00 1.47 H new ATOM 0 HH TYR A 93 -22.512 1.725 2.540 1.00 2.27 H new ATOM 1454 N PHE A 94 -18.084 1.348 -4.843 1.00 0.78 N ATOM 1455 CA PHE A 94 -18.438 2.103 -6.067 1.00 0.82 C ATOM 1456 C PHE A 94 -17.860 1.455 -7.338 1.00 0.76 C ATOM 1457 O PHE A 94 -16.666 1.140 -7.407 1.00 0.79 O ATOM 1458 CB PHE A 94 -17.916 3.550 -5.983 1.00 1.01 C ATOM 1459 CG PHE A 94 -18.514 4.387 -4.855 1.00 1.11 C ATOM 1460 CD1 PHE A 94 -19.794 4.929 -4.976 1.00 1.31 C ATOM 1461 CD2 PHE A 94 -17.796 4.645 -3.682 1.00 1.13 C ATOM 1462 CE1 PHE A 94 -20.340 5.700 -3.963 1.00 1.46 C ATOM 1463 CE2 PHE A 94 -18.343 5.415 -2.669 1.00 1.23 C ATOM 1464 CZ PHE A 94 -19.614 5.942 -2.809 1.00 1.37 C ATOM 0 H PHE A 94 -17.086 1.341 -4.633 1.00 0.78 H new ATOM 0 HA PHE A 94 -19.526 2.093 -6.130 1.00 0.82 H new ATOM 0 HB2 PHE A 94 -16.833 3.523 -5.861 1.00 1.01 H new ATOM 0 HB3 PHE A 94 -18.117 4.049 -6.931 1.00 1.01 H new ATOM 0 HD1 PHE A 94 -20.367 4.745 -5.872 1.00 1.31 H new ATOM 0 HD2 PHE A 94 -16.802 4.238 -3.565 1.00 1.13 H new ATOM 0 HE1 PHE A 94 -21.332 6.112 -4.073 1.00 1.46 H new ATOM 0 HE2 PHE A 94 -17.777 5.604 -1.769 1.00 1.23 H new ATOM 0 HZ PHE A 94 -20.040 6.542 -2.019 1.00 1.37 H new ATOM 1474 N ALA A 95 -18.733 1.276 -8.361 1.00 0.73 N ATOM 1475 CA ALA A 95 -18.340 0.682 -9.660 1.00 0.73 C ATOM 1476 C ALA A 95 -18.386 1.748 -10.800 1.00 0.72 C ATOM 1477 O ALA A 95 -19.450 2.078 -11.363 1.00 0.84 O ATOM 1478 CB ALA A 95 -19.212 -0.567 -9.980 1.00 0.82 C ATOM 0 H ALA A 95 -19.718 1.537 -8.309 1.00 0.73 H new ATOM 0 HA ALA A 95 -17.307 0.342 -9.589 1.00 0.73 H new ATOM 0 HB1 ALA A 95 -18.907 -0.988 -10.938 1.00 0.82 H new ATOM 0 HB2 ALA A 95 -19.079 -1.314 -9.197 1.00 0.82 H new ATOM 0 HB3 ALA A 95 -20.261 -0.275 -10.029 1.00 0.82 H new ATOM 1484 N GLN A 96 -17.205 2.335 -11.084 1.00 0.65 N ATOM 1485 CA GLN A 96 -17.059 3.369 -12.134 1.00 0.66 C ATOM 1486 C GLN A 96 -15.585 3.562 -12.564 1.00 0.58 C ATOM 1487 O GLN A 96 -14.658 3.454 -11.752 1.00 0.53 O ATOM 1488 CB GLN A 96 -17.639 4.724 -11.645 1.00 0.72 C ATOM 1489 CG GLN A 96 -18.036 5.717 -12.761 1.00 1.40 C ATOM 1490 CD GLN A 96 -19.273 5.285 -13.537 1.00 1.85 C ATOM 1491 OE1 GLN A 96 -20.399 5.614 -13.162 1.00 2.38 O ATOM 1492 NE2 GLN A 96 -19.066 4.550 -14.624 1.00 2.45 N ATOM 0 H GLN A 96 -16.335 2.111 -10.600 1.00 0.65 H new ATOM 0 HA GLN A 96 -17.618 3.021 -13.002 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -18.517 4.524 -11.031 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -16.902 5.204 -11.000 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -18.216 6.697 -12.319 1.00 1.40 H new ATOM 0 HG3 GLN A 96 -17.201 5.828 -13.453 1.00 1.40 H new ATOM 0 HE21 GLN A 96 -18.116 4.301 -14.898 1.00 2.45 H new ATOM 0 HE22 GLN A 96 -19.858 4.235 -15.185 1.00 2.45 H new ATOM 1501 N SER A 97 -15.396 3.881 -13.860 1.00 0.64 N ATOM 1502 CA SER A 97 -14.056 4.113 -14.446 1.00 0.62 C ATOM 1503 C SER A 97 -13.938 5.516 -15.074 1.00 0.81 C ATOM 1504 O SER A 97 -14.695 5.874 -15.985 1.00 1.66 O ATOM 1505 CB SER A 97 -13.687 3.030 -15.498 1.00 0.68 C ATOM 1506 OG SER A 97 -14.787 2.649 -16.330 1.00 0.73 O ATOM 0 H SER A 97 -16.160 3.985 -14.528 1.00 0.64 H new ATOM 0 HA SER A 97 -13.347 4.045 -13.621 1.00 0.62 H new ATOM 0 HB2 SER A 97 -12.879 3.404 -16.126 1.00 0.68 H new ATOM 0 HB3 SER A 97 -13.308 2.148 -14.983 1.00 0.68 H new ATOM 0 HG SER A 97 -14.492 1.968 -16.970 1.00 0.73 H new ATOM 1512 N GLN A 98 -12.952 6.299 -14.553 1.00 0.55 N ATOM 1513 CA GLN A 98 -12.637 7.715 -14.965 1.00 0.54 C ATOM 1514 C GLN A 98 -13.673 8.742 -14.415 1.00 0.56 C ATOM 1515 O GLN A 98 -14.312 9.490 -15.162 1.00 0.67 O ATOM 1516 CB GLN A 98 -12.469 7.868 -16.503 1.00 0.62 C ATOM 1517 CG GLN A 98 -11.293 7.076 -17.099 1.00 1.06 C ATOM 1518 CD GLN A 98 -10.961 7.515 -18.511 1.00 1.14 C ATOM 1519 OE1 GLN A 98 -11.488 6.976 -19.484 1.00 1.89 O ATOM 1520 NE2 GLN A 98 -10.080 8.503 -18.627 1.00 1.60 N ATOM 0 H GLN A 98 -12.333 5.963 -13.815 1.00 0.55 H new ATOM 0 HA GLN A 98 -11.674 7.944 -14.508 1.00 0.54 H new ATOM 0 HB2 GLN A 98 -13.390 7.547 -16.990 1.00 0.62 H new ATOM 0 HB3 GLN A 98 -12.335 8.924 -16.738 1.00 0.62 H new ATOM 0 HG2 GLN A 98 -10.415 7.202 -16.466 1.00 1.06 H new ATOM 0 HG3 GLN A 98 -11.536 6.013 -17.099 1.00 1.06 H new ATOM 0 HE21 GLN A 98 -9.669 8.920 -17.792 1.00 1.60 H new ATOM 0 HE22 GLN A 98 -9.815 8.844 -19.551 1.00 1.60 H new ATOM 1529 N GLN A 99 -13.802 8.734 -13.083 1.00 0.53 N ATOM 1530 CA GLN A 99 -14.730 9.594 -12.320 1.00 0.58 C ATOM 1531 C GLN A 99 -14.208 9.738 -10.876 1.00 0.57 C ATOM 1532 O GLN A 99 -14.212 10.836 -10.313 1.00 0.62 O ATOM 1533 CB GLN A 99 -16.155 8.990 -12.315 1.00 0.61 C ATOM 1534 CG GLN A 99 -17.283 9.994 -12.028 1.00 1.18 C ATOM 1535 CD GLN A 99 -18.643 9.327 -11.938 1.00 1.71 C ATOM 1536 OE1 GLN A 99 -19.077 8.921 -10.859 1.00 2.56 O ATOM 1537 NE2 GLN A 99 -19.322 9.206 -13.073 1.00 2.02 N ATOM 0 H GLN A 99 -13.253 8.116 -12.486 1.00 0.53 H new ATOM 0 HA GLN A 99 -14.781 10.575 -12.792 1.00 0.58 H new ATOM 0 HB2 GLN A 99 -16.340 8.525 -13.283 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -16.195 8.197 -11.568 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -17.074 10.514 -11.093 1.00 1.18 H new ATOM 0 HG3 GLN A 99 -17.303 10.748 -12.814 1.00 1.18 H new ATOM 0 HE21 GLN A 99 -18.925 9.556 -13.945 1.00 2.02 H new ATOM 0 HE22 GLN A 99 -20.241 8.763 -13.073 1.00 2.02 H new ATOM 1546 N LYS A 100 -13.759 8.596 -10.290 1.00 0.53 N ATOM 1547 CA LYS A 100 -13.163 8.552 -8.946 1.00 0.55 C ATOM 1548 C LYS A 100 -11.632 8.368 -9.080 1.00 0.48 C ATOM 1549 O LYS A 100 -11.101 7.253 -9.010 1.00 0.49 O ATOM 1550 CB LYS A 100 -13.801 7.427 -8.078 1.00 0.64 C ATOM 1551 CG LYS A 100 -13.910 6.045 -8.776 1.00 1.11 C ATOM 1552 CD LYS A 100 -14.522 4.938 -7.871 1.00 1.52 C ATOM 1553 CE LYS A 100 -13.540 4.398 -6.811 1.00 2.14 C ATOM 1554 NZ LYS A 100 -14.128 3.259 -6.053 1.00 2.76 N ATOM 0 H LYS A 100 -13.805 7.684 -10.745 1.00 0.53 H new ATOM 0 HA LYS A 100 -13.365 9.492 -8.433 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -13.212 7.313 -7.168 1.00 0.64 H new ATOM 0 HB3 LYS A 100 -14.799 7.744 -7.775 1.00 0.64 H new ATOM 0 HG2 LYS A 100 -14.520 6.148 -9.674 1.00 1.11 H new ATOM 0 HG3 LYS A 100 -12.918 5.731 -9.099 1.00 1.11 H new ATOM 0 HD2 LYS A 100 -15.404 5.336 -7.369 1.00 1.52 H new ATOM 0 HD3 LYS A 100 -14.858 4.112 -8.498 1.00 1.52 H new ATOM 0 HE2 LYS A 100 -12.619 4.076 -7.297 1.00 2.14 H new ATOM 0 HE3 LYS A 100 -13.273 5.197 -6.120 1.00 2.14 H new ATOM 0 HZ1 LYS A 100 -13.388 2.557 -5.851 1.00 2.76 H new ATOM 0 HZ2 LYS A 100 -14.528 3.607 -5.158 1.00 2.76 H new ATOM 0 HZ3 LYS A 100 -14.880 2.816 -6.619 1.00 2.76 H new ATOM 1568 N VAL A 101 -10.944 9.505 -9.282 1.00 0.45 N ATOM 1569 CA VAL A 101 -9.470 9.542 -9.490 1.00 0.40 C ATOM 1570 C VAL A 101 -8.735 10.151 -8.267 1.00 0.41 C ATOM 1571 O VAL A 101 -9.080 11.237 -7.783 1.00 0.47 O ATOM 1572 CB VAL A 101 -8.997 10.264 -10.847 1.00 0.38 C ATOM 1573 CG1 VAL A 101 -8.838 9.251 -11.999 1.00 0.69 C ATOM 1574 CG2 VAL A 101 -9.902 11.429 -11.347 1.00 0.68 C ATOM 0 H VAL A 101 -11.384 10.425 -9.307 1.00 0.45 H new ATOM 0 HA VAL A 101 -9.185 8.495 -9.598 1.00 0.40 H new ATOM 0 HB VAL A 101 -8.041 10.707 -10.569 1.00 0.38 H new ATOM 0 HG11 VAL A 101 -8.517 9.773 -12.901 1.00 0.69 H new ATOM 0 HG12 VAL A 101 -8.092 8.505 -11.727 1.00 0.69 H new ATOM 0 HG13 VAL A 101 -9.792 8.758 -12.185 1.00 0.69 H new ATOM 0 HG21 VAL A 101 -9.489 11.842 -12.267 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -10.907 11.053 -11.537 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -9.944 12.209 -10.587 1.00 0.68 H new ATOM 1584 N PHE A 102 -7.706 9.426 -7.801 1.00 0.39 N ATOM 1585 CA PHE A 102 -6.940 9.806 -6.593 1.00 0.40 C ATOM 1586 C PHE A 102 -5.459 10.185 -6.847 1.00 0.38 C ATOM 1587 O PHE A 102 -4.932 10.010 -7.949 1.00 0.41 O ATOM 1588 CB PHE A 102 -6.999 8.618 -5.620 1.00 0.42 C ATOM 1589 CG PHE A 102 -8.423 8.141 -5.269 1.00 0.49 C ATOM 1590 CD1 PHE A 102 -9.401 9.040 -4.829 1.00 0.60 C ATOM 1591 CD2 PHE A 102 -8.793 6.796 -5.407 1.00 0.60 C ATOM 1592 CE1 PHE A 102 -10.688 8.612 -4.543 1.00 0.67 C ATOM 1593 CE2 PHE A 102 -10.081 6.374 -5.111 1.00 0.70 C ATOM 1594 CZ PHE A 102 -11.026 7.283 -4.682 1.00 0.69 C ATOM 0 H PHE A 102 -7.380 8.566 -8.243 1.00 0.39 H new ATOM 0 HA PHE A 102 -7.400 10.710 -6.194 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -6.448 7.784 -6.053 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -6.486 8.895 -4.699 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -9.149 10.083 -4.710 1.00 0.60 H new ATOM 0 HD2 PHE A 102 -8.064 6.077 -5.749 1.00 0.60 H new ATOM 0 HE1 PHE A 102 -11.429 9.323 -4.210 1.00 0.67 H new ATOM 0 HE2 PHE A 102 -10.344 5.332 -5.217 1.00 0.70 H new ATOM 0 HZ PHE A 102 -12.029 6.954 -4.455 1.00 0.69 H new ATOM 1604 N ASP A 103 -4.784 10.719 -5.791 1.00 0.36 N ATOM 1605 CA ASP A 103 -3.356 11.115 -5.903 1.00 0.34 C ATOM 1606 C ASP A 103 -2.469 10.396 -4.877 1.00 0.32 C ATOM 1607 O ASP A 103 -2.824 10.263 -3.702 1.00 0.34 O ATOM 1608 CB ASP A 103 -3.136 12.639 -5.789 1.00 0.37 C ATOM 1609 CG ASP A 103 -3.550 13.436 -7.028 1.00 0.85 C ATOM 1610 OD1 ASP A 103 -4.701 13.270 -7.485 1.00 1.30 O ATOM 1611 OD2 ASP A 103 -2.723 14.224 -7.530 1.00 1.33 O ATOM 0 H ASP A 103 -5.197 10.882 -4.873 1.00 0.36 H new ATOM 0 HA ASP A 103 -3.061 10.806 -6.906 1.00 0.34 H new ATOM 0 HB2 ASP A 103 -3.695 13.011 -4.930 1.00 0.37 H new ATOM 0 HB3 ASP A 103 -2.081 12.827 -5.588 1.00 0.37 H new ATOM 1616 N VAL A 104 -1.288 9.952 -5.347 1.00 0.29 N ATOM 1617 CA VAL A 104 -0.321 9.193 -4.524 1.00 0.28 C ATOM 1618 C VAL A 104 1.145 9.766 -4.731 1.00 0.26 C ATOM 1619 O VAL A 104 1.637 9.875 -5.875 1.00 0.25 O ATOM 1620 CB VAL A 104 -0.534 7.604 -4.825 1.00 0.33 C ATOM 1621 CG1 VAL A 104 0.720 6.708 -4.787 1.00 0.31 C ATOM 1622 CG2 VAL A 104 -1.534 6.986 -3.835 1.00 0.48 C ATOM 0 H VAL A 104 -0.976 10.108 -6.305 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.492 9.316 -3.455 1.00 0.28 H new ATOM 0 HB VAL A 104 -0.888 7.615 -5.856 1.00 0.33 H new ATOM 0 HG11 VAL A 104 0.438 5.678 -5.004 1.00 0.31 H new ATOM 0 HG12 VAL A 104 1.436 7.053 -5.533 1.00 0.31 H new ATOM 0 HG13 VAL A 104 1.174 6.759 -3.797 1.00 0.31 H new ATOM 0 HG21 VAL A 104 -1.658 5.926 -4.057 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -1.158 7.102 -2.818 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.496 7.491 -3.926 1.00 0.48 H new ATOM 1632 N ARG A 105 1.825 10.055 -3.584 1.00 0.26 N ATOM 1633 CA ARG A 105 3.202 10.630 -3.574 1.00 0.26 C ATOM 1634 C ARG A 105 4.188 9.933 -2.586 1.00 0.23 C ATOM 1635 O ARG A 105 3.791 9.457 -1.514 1.00 0.26 O ATOM 1636 CB ARG A 105 3.181 12.154 -3.218 1.00 0.33 C ATOM 1637 CG ARG A 105 1.860 12.716 -2.633 1.00 0.53 C ATOM 1638 CD ARG A 105 1.999 14.200 -2.239 1.00 0.51 C ATOM 1639 NE ARG A 105 0.803 14.716 -1.581 1.00 0.92 N ATOM 1640 CZ ARG A 105 0.703 15.960 -1.115 1.00 1.25 C ATOM 1641 NH1 ARG A 105 1.704 16.815 -1.279 1.00 1.15 N ATOM 1642 NH2 ARG A 105 -0.397 16.352 -0.488 1.00 1.69 N ATOM 0 H ARG A 105 1.440 9.898 -2.653 1.00 0.26 H new ATOM 0 HA ARG A 105 3.563 10.462 -4.589 1.00 0.26 H new ATOM 0 HB2 ARG A 105 3.979 12.347 -2.501 1.00 0.33 H new ATOM 0 HB3 ARG A 105 3.420 12.717 -4.120 1.00 0.33 H new ATOM 0 HG2 ARG A 105 1.061 12.607 -3.367 1.00 0.53 H new ATOM 0 HG3 ARG A 105 1.571 12.132 -1.759 1.00 0.53 H new ATOM 0 HD2 ARG A 105 2.855 14.318 -1.575 1.00 0.51 H new ATOM 0 HD3 ARG A 105 2.204 14.792 -3.131 1.00 0.51 H new ATOM 0 HE ARG A 105 0.003 14.093 -1.472 1.00 0.92 H new ATOM 0 HH11 ARG A 105 2.552 16.520 -1.763 1.00 1.15 H new ATOM 0 HH12 ARG A 105 1.625 17.767 -0.921 1.00 1.15 H new ATOM 0 HH21 ARG A 105 -1.171 15.700 -0.361 1.00 1.69 H new ATOM 0 HH22 ARG A 105 -0.469 17.305 -0.133 1.00 1.69 H new ATOM 1656 N VAL A 106 5.500 9.907 -2.979 1.00 0.23 N ATOM 1657 CA VAL A 106 6.613 9.325 -2.144 1.00 0.23 C ATOM 1658 C VAL A 106 7.743 10.362 -1.825 1.00 0.22 C ATOM 1659 O VAL A 106 8.500 10.769 -2.710 1.00 0.23 O ATOM 1660 CB VAL A 106 7.261 7.960 -2.688 1.00 0.29 C ATOM 1661 CG1 VAL A 106 6.418 6.741 -2.276 1.00 0.57 C ATOM 1662 CG2 VAL A 106 7.509 7.896 -4.223 1.00 0.60 C ATOM 0 H VAL A 106 5.818 10.283 -3.872 1.00 0.23 H new ATOM 0 HA VAL A 106 6.095 9.060 -1.222 1.00 0.23 H new ATOM 0 HB VAL A 106 8.244 7.940 -2.217 1.00 0.29 H new ATOM 0 HG11 VAL A 106 6.882 5.832 -2.659 1.00 0.57 H new ATOM 0 HG12 VAL A 106 6.360 6.689 -1.189 1.00 0.57 H new ATOM 0 HG13 VAL A 106 5.414 6.837 -2.688 1.00 0.57 H new ATOM 0 HG21 VAL A 106 7.948 6.932 -4.481 1.00 0.60 H new ATOM 0 HG22 VAL A 106 6.562 8.016 -4.750 1.00 0.60 H new ATOM 0 HG23 VAL A 106 8.190 8.695 -4.515 1.00 0.60 H new ATOM 1672 N ASN A 107 7.825 10.772 -0.513 1.00 0.23 N ATOM 1673 CA ASN A 107 8.801 11.790 0.061 1.00 0.23 C ATOM 1674 C ASN A 107 8.616 13.231 -0.518 1.00 0.24 C ATOM 1675 O ASN A 107 9.562 14.029 -0.546 1.00 0.25 O ATOM 1676 CB ASN A 107 10.271 11.340 -0.127 1.00 0.23 C ATOM 1677 CG ASN A 107 11.153 11.535 1.106 1.00 0.27 C ATOM 1678 OD1 ASN A 107 12.077 10.762 1.355 1.00 1.05 O ATOM 1679 ND2 ASN A 107 10.884 12.589 1.869 1.00 1.12 N ATOM 0 H ASN A 107 7.200 10.397 0.200 1.00 0.23 H new ATOM 0 HA ASN A 107 8.568 11.836 1.125 1.00 0.23 H new ATOM 0 HB2 ASN A 107 10.283 10.286 -0.404 1.00 0.23 H new ATOM 0 HB3 ASN A 107 10.704 11.894 -0.960 1.00 0.23 H new ATOM 0 HD21 ASN A 107 11.453 12.780 2.694 1.00 1.12 H new ATOM 0 HD22 ASN A 107 10.109 13.207 1.630 1.00 1.12 H new ATOM 1686 N GLY A 108 7.387 13.542 -0.961 1.00 0.25 N ATOM 1687 CA GLY A 108 7.105 14.824 -1.581 1.00 0.29 C ATOM 1688 C GLY A 108 6.945 14.749 -3.118 1.00 0.29 C ATOM 1689 O GLY A 108 6.361 15.646 -3.729 1.00 0.32 O ATOM 0 H GLY A 108 6.583 12.918 -0.897 1.00 0.25 H new ATOM 0 HA2 GLY A 108 6.192 15.234 -1.149 1.00 0.29 H new ATOM 0 HA3 GLY A 108 7.910 15.518 -1.342 1.00 0.29 H new ATOM 1693 N HIS A 109 7.487 13.653 -3.728 1.00 0.27 N ATOM 1694 CA HIS A 109 7.457 13.380 -5.171 1.00 0.28 C ATOM 1695 C HIS A 109 6.143 12.718 -5.651 1.00 0.30 C ATOM 1696 O HIS A 109 5.640 11.817 -5.002 1.00 0.57 O ATOM 1697 CB HIS A 109 8.597 12.401 -5.440 1.00 0.29 C ATOM 1698 CG HIS A 109 9.979 12.969 -5.268 1.00 0.31 C ATOM 1699 ND1 HIS A 109 10.599 13.746 -6.220 1.00 0.43 N ATOM 1700 CD2 HIS A 109 10.865 12.854 -4.241 1.00 0.27 C ATOM 1701 CE1 HIS A 109 11.802 14.084 -5.795 1.00 0.46 C ATOM 1702 NE2 HIS A 109 11.988 13.558 -4.598 1.00 0.36 N ATOM 0 H HIS A 109 7.967 12.923 -3.201 1.00 0.27 H new ATOM 0 HA HIS A 109 7.545 14.327 -5.703 1.00 0.28 H new ATOM 0 HB2 HIS A 109 8.487 11.546 -4.773 1.00 0.29 H new ATOM 0 HB3 HIS A 109 8.500 12.025 -6.458 1.00 0.29 H new ATOM 0 HD1 HIS A 109 10.192 14.018 -7.115 1.00 0.43 H new ATOM 0 HD2 HIS A 109 10.713 12.311 -3.320 1.00 0.27 H new ATOM 0 HE1 HIS A 109 12.515 14.689 -6.335 1.00 0.46 H new ATOM 1711 N THR A 110 5.609 13.136 -6.815 1.00 0.31 N ATOM 1712 CA THR A 110 4.353 12.530 -7.346 1.00 0.32 C ATOM 1713 C THR A 110 4.626 11.440 -8.399 1.00 0.35 C ATOM 1714 O THR A 110 5.368 11.646 -9.369 1.00 0.47 O ATOM 1715 CB THR A 110 3.313 13.542 -7.933 1.00 0.43 C ATOM 1716 OG1 THR A 110 3.886 14.843 -8.175 1.00 0.55 O ATOM 1717 CG2 THR A 110 2.075 13.685 -7.021 1.00 0.47 C ATOM 0 H THR A 110 6.008 13.871 -7.399 1.00 0.31 H new ATOM 0 HA THR A 110 3.903 12.093 -6.455 1.00 0.32 H new ATOM 0 HB THR A 110 3.001 13.124 -8.890 1.00 0.43 H new ATOM 0 HG1 THR A 110 3.200 15.439 -8.542 1.00 0.55 H new ATOM 0 HG21 THR A 110 1.377 14.396 -7.463 1.00 0.47 H new ATOM 0 HG22 THR A 110 1.587 12.716 -6.915 1.00 0.47 H new ATOM 0 HG23 THR A 110 2.385 14.044 -6.040 1.00 0.47 H new ATOM 1725 N VAL A 111 3.985 10.286 -8.182 1.00 0.29 N ATOM 1726 CA VAL A 111 4.152 9.100 -9.062 1.00 0.35 C ATOM 1727 C VAL A 111 2.824 8.628 -9.719 1.00 0.35 C ATOM 1728 O VAL A 111 2.765 8.508 -10.946 1.00 0.39 O ATOM 1729 CB VAL A 111 4.911 7.861 -8.383 1.00 0.38 C ATOM 1730 CG1 VAL A 111 6.439 7.986 -8.552 1.00 1.06 C ATOM 1731 CG2 VAL A 111 4.590 7.615 -6.877 1.00 1.00 C ATOM 0 H VAL A 111 3.342 10.138 -7.405 1.00 0.29 H new ATOM 0 HA VAL A 111 4.808 9.470 -9.850 1.00 0.35 H new ATOM 0 HB VAL A 111 4.524 6.996 -8.921 1.00 0.38 H new ATOM 0 HG11 VAL A 111 6.928 7.133 -8.082 1.00 1.06 H new ATOM 0 HG12 VAL A 111 6.687 8.008 -9.613 1.00 1.06 H new ATOM 0 HG13 VAL A 111 6.783 8.906 -8.080 1.00 1.06 H new ATOM 0 HG21 VAL A 111 5.156 6.755 -6.520 1.00 1.00 H new ATOM 0 HG22 VAL A 111 4.865 8.496 -6.298 1.00 1.00 H new ATOM 0 HG23 VAL A 111 3.524 7.422 -6.759 1.00 1.00 H new ATOM 1741 N VAL A 112 1.764 8.360 -8.909 1.00 0.33 N ATOM 1742 CA VAL A 112 0.461 7.902 -9.477 1.00 0.35 C ATOM 1743 C VAL A 112 -0.634 8.941 -9.122 1.00 0.34 C ATOM 1744 O VAL A 112 -1.314 8.817 -8.102 1.00 0.32 O ATOM 1745 CB VAL A 112 -0.025 6.408 -9.052 1.00 0.37 C ATOM 1746 CG1 VAL A 112 -0.721 5.682 -10.232 1.00 0.44 C ATOM 1747 CG2 VAL A 112 1.094 5.464 -8.543 1.00 0.40 C ATOM 0 H VAL A 112 1.780 8.448 -7.893 1.00 0.33 H new ATOM 0 HA VAL A 112 0.624 7.829 -10.552 1.00 0.35 H new ATOM 0 HB VAL A 112 -0.707 6.598 -8.224 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -1.033 4.687 -9.914 1.00 0.44 H new ATOM 0 HG12 VAL A 112 -1.595 6.253 -10.546 1.00 0.44 H new ATOM 0 HG13 VAL A 112 -0.025 5.595 -11.067 1.00 0.44 H new ATOM 0 HG21 VAL A 112 0.664 4.496 -8.287 1.00 0.40 H new ATOM 0 HG22 VAL A 112 1.843 5.334 -9.324 1.00 0.40 H new ATOM 0 HG23 VAL A 112 1.562 5.898 -7.660 1.00 0.40 H new ATOM 1757 N LYS A 113 -0.797 9.954 -10.008 1.00 0.36 N ATOM 1758 CA LYS A 113 -1.820 10.999 -9.822 1.00 0.38 C ATOM 1759 C LYS A 113 -2.927 10.918 -10.878 1.00 0.43 C ATOM 1760 O LYS A 113 -3.047 11.722 -11.809 1.00 0.70 O ATOM 1761 CB LYS A 113 -1.213 12.400 -9.793 1.00 0.42 C ATOM 1762 CG LYS A 113 -0.354 12.754 -11.030 1.00 1.12 C ATOM 1763 CD LYS A 113 0.415 14.064 -10.838 1.00 1.27 C ATOM 1764 CE LYS A 113 -0.510 15.284 -10.696 1.00 1.50 C ATOM 1765 NZ LYS A 113 -1.408 15.442 -11.874 1.00 2.30 N ATOM 0 H LYS A 113 -0.234 10.065 -10.852 1.00 0.36 H new ATOM 0 HA LYS A 113 -2.271 10.809 -8.848 1.00 0.38 H new ATOM 0 HB2 LYS A 113 -2.018 13.129 -9.705 1.00 0.42 H new ATOM 0 HB3 LYS A 113 -0.597 12.497 -8.899 1.00 0.42 H new ATOM 0 HG2 LYS A 113 0.350 11.945 -11.226 1.00 1.12 H new ATOM 0 HG3 LYS A 113 -0.997 12.836 -11.906 1.00 1.12 H new ATOM 0 HD2 LYS A 113 1.043 13.985 -9.950 1.00 1.27 H new ATOM 0 HD3 LYS A 113 1.082 14.216 -11.687 1.00 1.27 H new ATOM 0 HE2 LYS A 113 -1.111 15.180 -9.793 1.00 1.50 H new ATOM 0 HE3 LYS A 113 0.093 16.184 -10.576 1.00 1.50 H new ATOM 0 HZ1 LYS A 113 -1.879 16.368 -11.830 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 -0.848 15.380 -12.748 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 -2.125 14.688 -11.868 1.00 2.30 H new ATOM 1779 N ASP A 114 -3.733 9.923 -10.613 1.00 0.37 N ATOM 1780 CA ASP A 114 -4.932 9.480 -11.374 1.00 0.42 C ATOM 1781 C ASP A 114 -5.199 7.990 -11.034 1.00 0.38 C ATOM 1782 O ASP A 114 -5.173 7.119 -11.913 1.00 0.40 O ATOM 1783 CB ASP A 114 -4.917 9.746 -12.959 1.00 0.50 C ATOM 1784 CG ASP A 114 -3.742 9.158 -13.795 1.00 1.70 C ATOM 1785 OD1 ASP A 114 -3.859 8.002 -14.255 1.00 2.48 O ATOM 1786 OD2 ASP A 114 -2.730 9.866 -13.980 1.00 2.09 O ATOM 0 H ASP A 114 -3.577 9.335 -9.795 1.00 0.37 H new ATOM 0 HA ASP A 114 -5.755 10.116 -11.047 1.00 0.42 H new ATOM 0 HB2 ASP A 114 -5.847 9.354 -13.371 1.00 0.50 H new ATOM 0 HB3 ASP A 114 -4.929 10.825 -13.115 1.00 0.50 H new ATOM 1791 N LEU A 115 -5.475 7.695 -9.735 1.00 0.36 N ATOM 1792 CA LEU A 115 -5.705 6.312 -9.310 1.00 0.36 C ATOM 1793 C LEU A 115 -7.181 5.900 -9.326 1.00 0.38 C ATOM 1794 O LEU A 115 -7.961 6.219 -8.423 1.00 0.42 O ATOM 1795 CB LEU A 115 -5.073 5.977 -7.937 1.00 0.38 C ATOM 1796 CG LEU A 115 -3.987 4.847 -7.923 1.00 0.35 C ATOM 1797 CD1 LEU A 115 -3.235 4.822 -6.618 1.00 1.13 C ATOM 1798 CD2 LEU A 115 -4.548 3.449 -8.191 1.00 1.06 C ATOM 0 H LEU A 115 -5.540 8.388 -8.989 1.00 0.36 H new ATOM 0 HA LEU A 115 -5.191 5.720 -10.067 1.00 0.36 H new ATOM 0 HB2 LEU A 115 -4.624 6.886 -7.537 1.00 0.38 H new ATOM 0 HB3 LEU A 115 -5.873 5.690 -7.254 1.00 0.38 H new ATOM 0 HG LEU A 115 -3.314 5.098 -8.743 1.00 0.35 H new ATOM 0 HD11 LEU A 115 -2.490 4.027 -6.643 1.00 1.13 H new ATOM 0 HD12 LEU A 115 -2.738 5.780 -6.466 1.00 1.13 H new ATOM 0 HD13 LEU A 115 -3.932 4.641 -5.800 1.00 1.13 H new ATOM 0 HD21 LEU A 115 -3.737 2.721 -8.165 1.00 1.06 H new ATOM 0 HD22 LEU A 115 -5.284 3.200 -7.427 1.00 1.06 H new ATOM 0 HD23 LEU A 115 -5.023 3.429 -9.172 1.00 1.06 H new ATOM 1810 N ASP A 116 -7.527 5.230 -10.433 1.00 0.39 N ATOM 1811 CA ASP A 116 -8.854 4.641 -10.661 1.00 0.43 C ATOM 1812 C ASP A 116 -8.682 3.102 -10.690 1.00 0.42 C ATOM 1813 O ASP A 116 -8.336 2.515 -11.723 1.00 0.43 O ATOM 1814 CB ASP A 116 -9.593 5.188 -11.953 1.00 0.46 C ATOM 1815 CG ASP A 116 -8.728 5.453 -13.211 1.00 1.55 C ATOM 1816 OD1 ASP A 116 -7.753 4.703 -13.430 1.00 2.35 O ATOM 1817 OD2 ASP A 116 -9.034 6.408 -13.954 1.00 1.83 O ATOM 0 H ASP A 116 -6.882 5.079 -11.209 1.00 0.39 H new ATOM 0 HA ASP A 116 -9.513 4.939 -9.845 1.00 0.43 H new ATOM 0 HB2 ASP A 116 -10.371 4.474 -12.224 1.00 0.46 H new ATOM 0 HB3 ASP A 116 -10.093 6.119 -11.686 1.00 0.46 H new ATOM 1822 N ILE A 117 -8.942 2.468 -9.520 1.00 0.42 N ATOM 1823 CA ILE A 117 -8.765 0.994 -9.285 1.00 0.42 C ATOM 1824 C ILE A 117 -9.715 0.064 -10.160 1.00 0.44 C ATOM 1825 O ILE A 117 -9.337 -1.071 -10.479 1.00 0.44 O ATOM 1826 CB ILE A 117 -8.881 0.667 -7.723 1.00 0.43 C ATOM 1827 CG1 ILE A 117 -8.319 1.840 -6.853 1.00 0.55 C ATOM 1828 CG2 ILE A 117 -8.136 -0.645 -7.315 1.00 0.49 C ATOM 1829 CD1 ILE A 117 -9.349 2.613 -6.036 1.00 0.68 C ATOM 0 H ILE A 117 -9.285 2.963 -8.697 1.00 0.42 H new ATOM 0 HA ILE A 117 -7.760 0.749 -9.630 1.00 0.42 H new ATOM 0 HB ILE A 117 -9.946 0.533 -7.536 1.00 0.43 H new ATOM 0 HG12 ILE A 117 -7.571 1.435 -6.171 1.00 0.55 H new ATOM 0 HG13 ILE A 117 -7.804 2.541 -7.510 1.00 0.55 H new ATOM 0 HG21 ILE A 117 -8.252 -0.811 -6.244 1.00 0.49 H new ATOM 0 HG22 ILE A 117 -8.559 -1.488 -7.861 1.00 0.49 H new ATOM 0 HG23 ILE A 117 -7.077 -0.552 -7.555 1.00 0.49 H new ATOM 0 HD11 ILE A 117 -8.849 3.401 -5.473 1.00 0.68 H new ATOM 0 HD12 ILE A 117 -10.086 3.057 -6.706 1.00 0.68 H new ATOM 0 HD13 ILE A 117 -9.849 1.934 -5.345 1.00 0.68 H new ATOM 1841 N PHE A 118 -10.902 0.586 -10.590 1.00 0.48 N ATOM 1842 CA PHE A 118 -11.867 -0.158 -11.459 1.00 0.51 C ATOM 1843 C PHE A 118 -11.386 -0.223 -12.948 1.00 0.53 C ATOM 1844 O PHE A 118 -11.513 -1.263 -13.599 1.00 0.56 O ATOM 1845 CB PHE A 118 -13.257 0.505 -11.375 1.00 0.56 C ATOM 1846 CG PHE A 118 -14.427 -0.402 -11.769 1.00 0.62 C ATOM 1847 CD1 PHE A 118 -14.929 -1.345 -10.871 1.00 0.65 C ATOM 1848 CD2 PHE A 118 -15.026 -0.309 -13.030 1.00 0.68 C ATOM 1849 CE1 PHE A 118 -15.989 -2.166 -11.218 1.00 0.72 C ATOM 1850 CE2 PHE A 118 -16.086 -1.132 -13.376 1.00 0.75 C ATOM 1851 CZ PHE A 118 -16.568 -2.058 -12.471 1.00 0.77 C ATOM 0 H PHE A 118 -11.215 1.526 -10.347 1.00 0.48 H new ATOM 0 HA PHE A 118 -11.926 -1.183 -11.094 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -13.415 0.856 -10.355 1.00 0.56 H new ATOM 0 HB3 PHE A 118 -13.264 1.384 -12.020 1.00 0.56 H new ATOM 0 HD1 PHE A 118 -14.484 -1.436 -9.891 1.00 0.65 H new ATOM 0 HD2 PHE A 118 -14.658 0.414 -13.743 1.00 0.68 H new ATOM 0 HE1 PHE A 118 -16.364 -2.891 -10.511 1.00 0.72 H new ATOM 0 HE2 PHE A 118 -16.536 -1.049 -14.354 1.00 0.75 H new ATOM 0 HZ PHE A 118 -17.396 -2.697 -12.741 1.00 0.77 H new ATOM 1861 N ASP A 119 -10.807 0.910 -13.451 1.00 0.52 N ATOM 1862 CA ASP A 119 -10.220 1.032 -14.822 1.00 0.54 C ATOM 1863 C ASP A 119 -8.837 0.290 -14.973 1.00 0.53 C ATOM 1864 O ASP A 119 -8.473 -0.114 -16.080 1.00 0.57 O ATOM 1865 CB ASP A 119 -10.054 2.532 -15.176 1.00 0.55 C ATOM 1866 CG ASP A 119 -10.328 2.884 -16.647 1.00 0.57 C ATOM 1867 OD1 ASP A 119 -11.050 2.125 -17.327 1.00 0.72 O ATOM 1868 OD2 ASP A 119 -9.808 3.921 -17.110 1.00 0.91 O ATOM 0 H ASP A 119 -10.735 1.772 -12.910 1.00 0.52 H new ATOM 0 HA ASP A 119 -10.910 0.547 -15.512 1.00 0.54 H new ATOM 0 HB2 ASP A 119 -10.726 3.115 -14.547 1.00 0.55 H new ATOM 0 HB3 ASP A 119 -9.038 2.839 -14.927 1.00 0.55 H new ATOM 1873 N ARG A 120 -8.086 0.129 -13.841 1.00 0.49 N ATOM 1874 CA ARG A 120 -6.765 -0.558 -13.814 1.00 0.48 C ATOM 1875 C ARG A 120 -6.868 -2.111 -13.845 1.00 0.50 C ATOM 1876 O ARG A 120 -6.285 -2.738 -14.734 1.00 0.54 O ATOM 1877 CB ARG A 120 -5.961 -0.132 -12.570 1.00 0.46 C ATOM 1878 CG ARG A 120 -5.581 1.372 -12.502 1.00 0.45 C ATOM 1879 CD ARG A 120 -4.401 1.753 -13.415 1.00 0.52 C ATOM 1880 NE ARG A 120 -4.052 3.165 -13.273 1.00 1.23 N ATOM 1881 CZ ARG A 120 -3.109 3.772 -13.990 1.00 1.49 C ATOM 1882 NH1 ARG A 120 -2.415 3.092 -14.893 1.00 1.03 N ATOM 1883 NH2 ARG A 120 -2.860 5.061 -13.803 1.00 2.43 N ATOM 0 H ARG A 120 -8.382 0.472 -12.927 1.00 0.49 H new ATOM 0 HA ARG A 120 -6.253 -0.250 -14.726 1.00 0.48 H new ATOM 0 HB2 ARG A 120 -6.540 -0.383 -11.681 1.00 0.46 H new ATOM 0 HB3 ARG A 120 -5.045 -0.722 -12.531 1.00 0.46 H new ATOM 0 HG2 ARG A 120 -6.450 1.970 -12.777 1.00 0.45 H new ATOM 0 HG3 ARG A 120 -5.330 1.628 -11.473 1.00 0.45 H new ATOM 0 HD2 ARG A 120 -3.536 1.136 -13.171 1.00 0.52 H new ATOM 0 HD3 ARG A 120 -4.659 1.543 -14.453 1.00 0.52 H new ATOM 0 HE ARG A 120 -4.561 3.718 -12.584 1.00 1.23 H new ATOM 0 HH11 ARG A 120 -2.603 2.100 -15.040 1.00 1.03 H new ATOM 0 HH12 ARG A 120 -1.693 3.561 -15.440 1.00 1.03 H new ATOM 0 HH21 ARG A 120 -3.391 5.588 -13.110 1.00 2.43 H new ATOM 0 HH22 ARG A 120 -2.137 5.526 -14.353 1.00 2.43 H new ATOM 1897 N VAL A 121 -7.603 -2.730 -12.879 1.00 0.48 N ATOM 1898 CA VAL A 121 -7.767 -4.229 -12.864 1.00 0.51 C ATOM 1899 C VAL A 121 -9.107 -4.746 -13.505 1.00 0.56 C ATOM 1900 O VAL A 121 -9.096 -5.790 -14.164 1.00 0.62 O ATOM 1901 CB VAL A 121 -7.539 -4.946 -11.447 1.00 0.53 C ATOM 1902 CG1 VAL A 121 -6.051 -5.288 -11.235 1.00 0.92 C ATOM 1903 CG2 VAL A 121 -8.053 -4.161 -10.201 1.00 0.93 C ATOM 0 H VAL A 121 -8.080 -2.242 -12.121 1.00 0.48 H new ATOM 0 HA VAL A 121 -6.939 -4.530 -13.506 1.00 0.51 H new ATOM 0 HB VAL A 121 -8.149 -5.847 -11.513 1.00 0.53 H new ATOM 0 HG11 VAL A 121 -5.923 -5.773 -10.267 1.00 0.92 H new ATOM 0 HG12 VAL A 121 -5.716 -5.960 -12.025 1.00 0.92 H new ATOM 0 HG13 VAL A 121 -5.460 -4.373 -11.263 1.00 0.92 H new ATOM 0 HG21 VAL A 121 -7.848 -4.736 -9.298 1.00 0.93 H new ATOM 0 HG22 VAL A 121 -7.544 -3.199 -10.142 1.00 0.93 H new ATOM 0 HG23 VAL A 121 -9.127 -3.998 -10.291 1.00 0.93 H new ATOM 1913 N GLY A 122 -10.235 -4.023 -13.313 1.00 0.57 N ATOM 1914 CA GLY A 122 -11.520 -4.454 -13.881 1.00 0.63 C ATOM 1915 C GLY A 122 -12.639 -4.545 -12.849 1.00 0.66 C ATOM 1916 O GLY A 122 -13.143 -3.520 -12.380 1.00 0.85 O ATOM 0 H GLY A 122 -10.276 -3.155 -12.778 1.00 0.57 H new ATOM 0 HA2 GLY A 122 -11.815 -3.756 -14.665 1.00 0.63 H new ATOM 0 HA3 GLY A 122 -11.391 -5.428 -14.353 1.00 0.63 H new ATOM 1920 N HIS A 123 -13.031 -5.787 -12.502 1.00 0.72 N ATOM 1921 CA HIS A 123 -14.092 -6.037 -11.505 1.00 0.87 C ATOM 1922 C HIS A 123 -13.523 -6.745 -10.263 1.00 0.73 C ATOM 1923 O HIS A 123 -13.201 -7.939 -10.306 1.00 1.34 O ATOM 1924 CB HIS A 123 -15.212 -6.899 -12.122 1.00 1.38 C ATOM 1925 CG HIS A 123 -16.137 -6.160 -13.049 1.00 1.76 C ATOM 1926 ND1 HIS A 123 -15.832 -5.900 -14.370 1.00 2.62 N ATOM 1927 CD2 HIS A 123 -17.369 -5.633 -12.840 1.00 2.27 C ATOM 1928 CE1 HIS A 123 -16.834 -5.247 -14.931 1.00 3.18 C ATOM 1929 NE2 HIS A 123 -17.778 -5.072 -14.024 1.00 3.01 N ATOM 0 H HIS A 123 -12.627 -6.636 -12.899 1.00 0.72 H new ATOM 0 HA HIS A 123 -14.502 -5.074 -11.201 1.00 0.87 H new ATOM 0 HB2 HIS A 123 -14.757 -7.725 -12.668 1.00 1.38 H new ATOM 0 HB3 HIS A 123 -15.801 -7.336 -11.316 1.00 1.38 H new ATOM 0 HD2 HIS A 123 -17.925 -5.651 -11.914 1.00 2.27 H new ATOM 0 HE1 HIS A 123 -16.874 -4.913 -15.957 1.00 3.18 H new ATOM 0 HE2 HIS A 123 -18.667 -4.597 -14.178 1.00 3.01 H new ATOM 1938 N SER A 124 -13.413 -5.974 -9.137 1.00 0.86 N ATOM 1939 CA SER A 124 -12.873 -6.441 -7.807 1.00 0.70 C ATOM 1940 C SER A 124 -11.343 -6.787 -7.856 1.00 0.99 C ATOM 1941 O SER A 124 -10.546 -5.952 -8.293 1.00 2.08 O ATOM 1942 CB SER A 124 -13.718 -7.615 -7.241 1.00 0.73 C ATOM 1943 OG SER A 124 -15.027 -7.192 -6.889 1.00 1.20 O ATOM 0 H SER A 124 -13.700 -4.995 -9.122 1.00 0.86 H new ATOM 0 HA SER A 124 -12.965 -5.602 -7.118 1.00 0.70 H new ATOM 0 HB2 SER A 124 -13.779 -8.411 -7.983 1.00 0.73 H new ATOM 0 HB3 SER A 124 -13.222 -8.033 -6.365 1.00 0.73 H new ATOM 0 HG SER A 124 -15.534 -7.954 -6.538 1.00 1.20 H new ATOM 1949 N THR A 125 -10.949 -8.018 -7.383 1.00 0.56 N ATOM 1950 CA THR A 125 -9.528 -8.575 -7.383 1.00 0.51 C ATOM 1951 C THR A 125 -8.459 -7.709 -6.596 1.00 0.48 C ATOM 1952 O THR A 125 -8.816 -6.860 -5.768 1.00 0.51 O ATOM 1953 CB THR A 125 -8.983 -8.940 -8.847 1.00 0.55 C ATOM 1954 OG1 THR A 125 -8.797 -7.772 -9.673 1.00 0.62 O ATOM 1955 CG2 THR A 125 -9.879 -9.940 -9.636 1.00 0.62 C ATOM 0 H THR A 125 -11.619 -8.673 -6.980 1.00 0.56 H new ATOM 0 HA THR A 125 -9.641 -9.501 -6.819 1.00 0.51 H new ATOM 0 HB THR A 125 -8.026 -9.421 -8.644 1.00 0.55 H new ATOM 0 HG1 THR A 125 -9.254 -7.007 -9.265 1.00 0.62 H new ATOM 0 HG21 THR A 125 -9.437 -10.131 -10.614 1.00 0.62 H new ATOM 0 HG22 THR A 125 -9.954 -10.876 -9.083 1.00 0.62 H new ATOM 0 HG23 THR A 125 -10.874 -9.514 -9.765 1.00 0.62 H new ATOM 1963 N ALA A 126 -7.143 -7.964 -6.854 1.00 0.46 N ATOM 1964 CA ALA A 126 -6.030 -7.226 -6.211 1.00 0.43 C ATOM 1965 C ALA A 126 -5.278 -6.286 -7.204 1.00 0.38 C ATOM 1966 O ALA A 126 -4.896 -6.694 -8.315 1.00 0.41 O ATOM 1967 CB ALA A 126 -5.027 -8.227 -5.574 1.00 0.46 C ATOM 0 H ALA A 126 -6.833 -8.682 -7.509 1.00 0.46 H new ATOM 0 HA ALA A 126 -6.470 -6.595 -5.439 1.00 0.43 H new ATOM 0 HB1 ALA A 126 -4.212 -7.676 -5.104 1.00 0.46 H new ATOM 0 HB2 ALA A 126 -5.540 -8.828 -4.823 1.00 0.46 H new ATOM 0 HB3 ALA A 126 -4.624 -8.880 -6.348 1.00 0.46 H new ATOM 1973 N HIS A 127 -5.091 -5.006 -6.792 1.00 0.34 N ATOM 1974 CA HIS A 127 -4.339 -4.006 -7.590 1.00 0.32 C ATOM 1975 C HIS A 127 -2.941 -3.792 -6.962 1.00 0.31 C ATOM 1976 O HIS A 127 -2.815 -3.630 -5.744 1.00 0.35 O ATOM 1977 CB HIS A 127 -5.106 -2.665 -7.675 1.00 0.32 C ATOM 1978 CG HIS A 127 -4.469 -1.625 -8.582 1.00 0.33 C ATOM 1979 ND1 HIS A 127 -3.849 -1.933 -9.780 1.00 0.35 N ATOM 1980 CD2 HIS A 127 -4.308 -0.286 -8.423 1.00 0.36 C ATOM 1981 CE1 HIS A 127 -3.334 -0.834 -10.304 1.00 0.38 C ATOM 1982 NE2 HIS A 127 -3.602 0.173 -9.503 1.00 0.38 N ATOM 0 H HIS A 127 -5.452 -4.643 -5.910 1.00 0.34 H new ATOM 0 HA HIS A 127 -4.226 -4.385 -8.606 1.00 0.32 H new ATOM 0 HB2 HIS A 127 -6.118 -2.863 -8.027 1.00 0.32 H new ATOM 0 HB3 HIS A 127 -5.193 -2.248 -6.672 1.00 0.32 H new ATOM 0 HD2 HIS A 127 -4.670 0.308 -7.597 1.00 0.36 H new ATOM 0 HE1 HIS A 127 -2.786 -0.774 -11.233 1.00 0.38 H new ATOM 0 HE2 HIS A 127 -3.328 1.143 -9.661 1.00 0.38 H new ATOM 1991 N ASP A 128 -1.904 -3.754 -7.803 1.00 0.32 N ATOM 1992 CA ASP A 128 -0.526 -3.623 -7.301 1.00 0.33 C ATOM 1993 C ASP A 128 0.302 -2.510 -7.984 1.00 0.30 C ATOM 1994 O ASP A 128 0.390 -2.430 -9.216 1.00 0.42 O ATOM 1995 CB ASP A 128 0.234 -5.013 -7.328 1.00 0.45 C ATOM 1996 CG ASP A 128 0.358 -5.728 -8.700 1.00 1.70 C ATOM 1997 OD1 ASP A 128 1.314 -5.424 -9.444 1.00 2.50 O ATOM 1998 OD2 ASP A 128 -0.503 -6.580 -9.006 1.00 2.10 O ATOM 0 H ASP A 128 -1.985 -3.811 -8.818 1.00 0.32 H new ATOM 0 HA ASP A 128 -0.629 -3.303 -6.264 1.00 0.33 H new ATOM 0 HB2 ASP A 128 1.239 -4.856 -6.937 1.00 0.45 H new ATOM 0 HB3 ASP A 128 -0.274 -5.689 -6.640 1.00 0.45 H new ATOM 2003 N GLU A 129 0.898 -1.655 -7.138 1.00 0.25 N ATOM 2004 CA GLU A 129 1.786 -0.580 -7.588 1.00 0.30 C ATOM 2005 C GLU A 129 3.220 -0.823 -7.078 1.00 0.27 C ATOM 2006 O GLU A 129 3.473 -0.875 -5.859 1.00 0.25 O ATOM 2007 CB GLU A 129 1.274 0.793 -7.109 1.00 0.43 C ATOM 2008 CG GLU A 129 -0.044 1.256 -7.767 1.00 0.91 C ATOM 2009 CD GLU A 129 0.104 1.568 -9.252 1.00 0.76 C ATOM 2010 OE1 GLU A 129 1.065 2.277 -9.617 1.00 1.12 O ATOM 2011 OE2 GLU A 129 -0.745 1.108 -10.045 1.00 1.56 O ATOM 0 H GLU A 129 0.776 -1.692 -6.126 1.00 0.25 H new ATOM 0 HA GLU A 129 1.795 -0.579 -8.678 1.00 0.30 H new ATOM 0 HB2 GLU A 129 1.131 0.756 -6.029 1.00 0.43 H new ATOM 0 HB3 GLU A 129 2.043 1.540 -7.303 1.00 0.43 H new ATOM 0 HG2 GLU A 129 -0.799 0.480 -7.639 1.00 0.91 H new ATOM 0 HG3 GLU A 129 -0.408 2.144 -7.250 1.00 0.91 H new ATOM 2018 N ILE A 130 4.145 -0.989 -8.047 1.00 0.28 N ATOM 2019 CA ILE A 130 5.580 -1.250 -7.777 1.00 0.28 C ATOM 2020 C ILE A 130 6.439 -0.008 -8.119 1.00 0.29 C ATOM 2021 O ILE A 130 6.548 0.400 -9.282 1.00 0.39 O ATOM 2022 CB ILE A 130 6.146 -2.513 -8.559 1.00 0.31 C ATOM 2023 CG1 ILE A 130 5.036 -3.309 -9.315 1.00 0.37 C ATOM 2024 CG2 ILE A 130 6.914 -3.477 -7.608 1.00 0.37 C ATOM 2025 CD1 ILE A 130 4.871 -2.954 -10.792 1.00 0.45 C ATOM 0 H ILE A 130 3.920 -0.946 -9.041 1.00 0.28 H new ATOM 0 HA ILE A 130 5.647 -1.469 -6.711 1.00 0.28 H new ATOM 0 HB ILE A 130 6.835 -2.111 -9.302 1.00 0.31 H new ATOM 0 HG12 ILE A 130 5.257 -4.373 -9.236 1.00 0.37 H new ATOM 0 HG13 ILE A 130 4.085 -3.143 -8.810 1.00 0.37 H new ATOM 0 HG21 ILE A 130 7.287 -4.329 -8.177 1.00 0.37 H new ATOM 0 HG22 ILE A 130 7.753 -2.949 -7.154 1.00 0.37 H new ATOM 0 HG23 ILE A 130 6.241 -3.829 -6.826 1.00 0.37 H new ATOM 0 HD11 ILE A 130 4.076 -3.561 -11.226 1.00 0.45 H new ATOM 0 HD12 ILE A 130 4.614 -1.899 -10.886 1.00 0.45 H new ATOM 0 HD13 ILE A 130 5.805 -3.148 -11.319 1.00 0.45 H new ATOM 2037 N ILE A 131 7.047 0.565 -7.070 1.00 0.21 N ATOM 2038 CA ILE A 131 7.889 1.766 -7.187 1.00 0.26 C ATOM 2039 C ILE A 131 9.293 1.505 -6.527 1.00 0.18 C ATOM 2040 O ILE A 131 9.421 1.656 -5.307 1.00 0.18 O ATOM 2041 CB ILE A 131 7.200 3.043 -6.513 1.00 0.34 C ATOM 2042 CG1 ILE A 131 5.638 3.005 -6.599 1.00 0.30 C ATOM 2043 CG2 ILE A 131 7.694 4.380 -7.155 1.00 0.62 C ATOM 2044 CD1 ILE A 131 4.915 2.602 -5.313 1.00 0.84 C ATOM 0 H ILE A 131 6.969 0.210 -6.117 1.00 0.21 H new ATOM 0 HA ILE A 131 8.016 1.978 -8.249 1.00 0.26 H new ATOM 0 HB ILE A 131 7.497 3.004 -5.465 1.00 0.34 H new ATOM 0 HG12 ILE A 131 5.284 3.991 -6.900 1.00 0.30 H new ATOM 0 HG13 ILE A 131 5.352 2.310 -7.388 1.00 0.30 H new ATOM 0 HG21 ILE A 131 7.201 5.221 -6.668 1.00 0.62 H new ATOM 0 HG22 ILE A 131 8.773 4.468 -7.027 1.00 0.62 H new ATOM 0 HG23 ILE A 131 7.453 4.384 -8.218 1.00 0.62 H new ATOM 0 HD11 ILE A 131 3.838 2.608 -5.484 1.00 0.84 H new ATOM 0 HD12 ILE A 131 5.230 1.601 -5.017 1.00 0.84 H new ATOM 0 HD13 ILE A 131 5.161 3.309 -4.521 1.00 0.84 H new ATOM 2056 N PRO A 132 10.356 1.053 -7.298 1.00 0.13 N ATOM 2057 CA PRO A 132 11.734 0.871 -6.743 1.00 0.09 C ATOM 2058 C PRO A 132 12.555 2.182 -6.703 1.00 0.08 C ATOM 2059 O PRO A 132 12.547 2.956 -7.665 1.00 0.16 O ATOM 2060 CB PRO A 132 12.409 -0.122 -7.721 1.00 0.13 C ATOM 2061 CG PRO A 132 11.303 -0.603 -8.623 1.00 0.16 C ATOM 2062 CD PRO A 132 10.311 0.547 -8.691 1.00 0.16 C ATOM 0 HA PRO A 132 11.686 0.525 -5.711 1.00 0.09 H new ATOM 0 HB2 PRO A 132 13.199 0.364 -8.293 1.00 0.13 H new ATOM 0 HB3 PRO A 132 12.868 -0.952 -7.184 1.00 0.13 H new ATOM 0 HG2 PRO A 132 11.684 -0.853 -9.613 1.00 0.16 H new ATOM 0 HG3 PRO A 132 10.835 -1.503 -8.225 1.00 0.16 H new ATOM 0 HD2 PRO A 132 10.611 1.306 -9.414 1.00 0.16 H new ATOM 0 HD3 PRO A 132 9.313 0.213 -8.975 1.00 0.16 H new ATOM 2070 N ILE A 133 13.254 2.408 -5.578 1.00 0.07 N ATOM 2071 CA ILE A 133 14.079 3.620 -5.382 1.00 0.08 C ATOM 2072 C ILE A 133 15.557 3.282 -5.121 1.00 0.08 C ATOM 2073 O ILE A 133 15.892 2.240 -4.546 1.00 0.10 O ATOM 2074 CB ILE A 133 13.582 4.558 -4.213 1.00 0.15 C ATOM 2075 CG1 ILE A 133 12.545 3.858 -3.261 1.00 0.23 C ATOM 2076 CG2 ILE A 133 13.009 5.880 -4.795 1.00 0.30 C ATOM 2077 CD1 ILE A 133 12.548 4.323 -1.789 1.00 0.38 C ATOM 0 H ILE A 133 13.266 1.766 -4.785 1.00 0.07 H new ATOM 0 HA ILE A 133 13.972 4.159 -6.323 1.00 0.08 H new ATOM 0 HB ILE A 133 14.449 4.787 -3.594 1.00 0.15 H new ATOM 0 HG12 ILE A 133 11.546 4.015 -3.668 1.00 0.23 H new ATOM 0 HG13 ILE A 133 12.732 2.784 -3.281 1.00 0.23 H new ATOM 0 HG21 ILE A 133 12.669 6.519 -3.980 1.00 0.30 H new ATOM 0 HG22 ILE A 133 13.785 6.395 -5.361 1.00 0.30 H new ATOM 0 HG23 ILE A 133 12.170 5.654 -5.453 1.00 0.30 H new ATOM 0 HD11 ILE A 133 11.792 3.770 -1.231 1.00 0.38 H new ATOM 0 HD12 ILE A 133 13.529 4.139 -1.351 1.00 0.38 H new ATOM 0 HD13 ILE A 133 12.325 5.389 -1.744 1.00 0.38 H new ATOM 2089 N SER A 134 16.432 4.201 -5.544 1.00 0.10 N ATOM 2090 CA SER A 134 17.874 4.040 -5.361 1.00 0.12 C ATOM 2091 C SER A 134 18.479 5.264 -4.647 1.00 0.13 C ATOM 2092 O SER A 134 18.501 6.382 -5.176 1.00 0.15 O ATOM 2093 CB SER A 134 18.557 3.772 -6.720 1.00 0.15 C ATOM 2094 OG SER A 134 19.843 3.177 -6.569 1.00 1.31 O ATOM 0 H SER A 134 16.164 5.065 -6.016 1.00 0.10 H new ATOM 0 HA SER A 134 18.053 3.176 -4.721 1.00 0.12 H new ATOM 0 HB2 SER A 134 17.924 3.118 -7.320 1.00 0.15 H new ATOM 0 HB3 SER A 134 18.655 4.710 -7.267 1.00 0.15 H new ATOM 0 HG SER A 134 20.238 3.023 -7.453 1.00 1.31 H new ATOM 2100 N ILE A 135 18.954 5.006 -3.417 1.00 0.13 N ATOM 2101 CA ILE A 135 19.591 6.018 -2.553 1.00 0.15 C ATOM 2102 C ILE A 135 21.115 5.676 -2.430 1.00 0.18 C ATOM 2103 O ILE A 135 21.482 4.569 -2.020 1.00 0.18 O ATOM 2104 CB ILE A 135 18.851 6.090 -1.132 1.00 0.16 C ATOM 2105 CG1 ILE A 135 17.301 6.197 -1.310 1.00 0.13 C ATOM 2106 CG2 ILE A 135 19.358 7.265 -0.218 1.00 0.25 C ATOM 2107 CD1 ILE A 135 16.468 5.342 -0.341 1.00 0.15 C ATOM 0 H ILE A 135 18.907 4.081 -2.989 1.00 0.13 H new ATOM 0 HA ILE A 135 19.499 7.012 -2.991 1.00 0.15 H new ATOM 0 HB ILE A 135 19.102 5.158 -0.626 1.00 0.16 H new ATOM 0 HG12 ILE A 135 17.009 7.240 -1.191 1.00 0.13 H new ATOM 0 HG13 ILE A 135 17.048 5.910 -2.331 1.00 0.13 H new ATOM 0 HG21 ILE A 135 18.814 7.252 0.726 1.00 0.25 H new ATOM 0 HG22 ILE A 135 20.424 7.141 -0.024 1.00 0.25 H new ATOM 0 HG23 ILE A 135 19.189 8.217 -0.722 1.00 0.25 H new ATOM 0 HD11 ILE A 135 15.408 5.487 -0.547 1.00 0.15 H new ATOM 0 HD12 ILE A 135 16.722 4.290 -0.473 1.00 0.15 H new ATOM 0 HD13 ILE A 135 16.683 5.641 0.685 1.00 0.15 H new ATOM 2119 N LYS A 136 21.973 6.650 -2.811 1.00 0.20 N ATOM 2120 CA LYS A 136 23.441 6.481 -2.768 1.00 0.23 C ATOM 2121 C LYS A 136 24.127 7.753 -2.261 1.00 0.28 C ATOM 2122 O LYS A 136 23.877 8.859 -2.765 1.00 0.29 O ATOM 2123 CB LYS A 136 23.985 6.117 -4.166 1.00 0.22 C ATOM 2124 CG LYS A 136 23.543 4.723 -4.673 1.00 0.25 C ATOM 2125 CD LYS A 136 24.470 3.581 -4.193 1.00 0.94 C ATOM 2126 CE LYS A 136 23.939 2.196 -4.605 1.00 1.23 C ATOM 2127 NZ LYS A 136 23.793 2.076 -6.081 1.00 2.05 N ATOM 0 H LYS A 136 21.671 7.563 -3.152 1.00 0.20 H new ATOM 0 HA LYS A 136 23.662 5.668 -2.076 1.00 0.23 H new ATOM 0 HB2 LYS A 136 23.656 6.872 -4.880 1.00 0.22 H new ATOM 0 HB3 LYS A 136 25.074 6.154 -4.141 1.00 0.22 H new ATOM 0 HG2 LYS A 136 22.526 4.525 -4.333 1.00 0.25 H new ATOM 0 HG3 LYS A 136 23.519 4.730 -5.763 1.00 0.25 H new ATOM 0 HD2 LYS A 136 25.468 3.725 -4.608 1.00 0.94 H new ATOM 0 HD3 LYS A 136 24.567 3.624 -3.108 1.00 0.94 H new ATOM 0 HE2 LYS A 136 24.618 1.424 -4.243 1.00 1.23 H new ATOM 0 HE3 LYS A 136 22.974 2.020 -4.129 1.00 1.23 H new ATOM 0 HZ1 LYS A 136 23.548 1.096 -6.327 1.00 2.05 H new ATOM 0 HZ2 LYS A 136 23.040 2.714 -6.408 1.00 2.05 H new ATOM 0 HZ3 LYS A 136 24.689 2.334 -6.541 1.00 2.05 H new ATOM 2141 N LYS A 137 24.976 7.581 -1.202 1.00 0.33 N ATOM 2142 CA LYS A 137 25.756 8.685 -0.516 1.00 0.40 C ATOM 2143 C LYS A 137 24.867 9.714 0.267 1.00 0.39 C ATOM 2144 O LYS A 137 25.325 10.809 0.611 1.00 0.42 O ATOM 2145 CB LYS A 137 26.663 9.444 -1.527 1.00 0.44 C ATOM 2146 CG LYS A 137 27.694 8.556 -2.287 1.00 0.99 C ATOM 2147 CD LYS A 137 29.146 8.654 -1.738 1.00 1.59 C ATOM 2148 CE LYS A 137 29.303 8.114 -0.305 1.00 2.70 C ATOM 2149 NZ LYS A 137 30.738 7.988 0.074 1.00 3.55 N ATOM 0 H LYS A 137 25.147 6.664 -0.789 1.00 0.33 H new ATOM 0 HA LYS A 137 26.369 8.174 0.226 1.00 0.40 H new ATOM 0 HB2 LYS A 137 26.027 9.942 -2.259 1.00 0.44 H new ATOM 0 HB3 LYS A 137 27.204 10.224 -0.991 1.00 0.44 H new ATOM 0 HG2 LYS A 137 27.368 7.517 -2.238 1.00 0.99 H new ATOM 0 HG3 LYS A 137 27.695 8.840 -3.339 1.00 0.99 H new ATOM 0 HD2 LYS A 137 29.813 8.102 -2.400 1.00 1.59 H new ATOM 0 HD3 LYS A 137 29.464 9.696 -1.761 1.00 1.59 H new ATOM 0 HE2 LYS A 137 28.798 8.780 0.394 1.00 2.70 H new ATOM 0 HE3 LYS A 137 28.817 7.141 -0.226 1.00 2.70 H new ATOM 0 HZ1 LYS A 137 30.810 7.622 1.045 1.00 3.55 H new ATOM 0 HZ2 LYS A 137 31.213 7.333 -0.579 1.00 3.55 H new ATOM 0 HZ3 LYS A 137 31.194 8.921 0.021 1.00 3.55 H new ATOM 2163 N GLY A 138 23.600 9.321 0.549 1.00 0.35 N ATOM 2164 CA GLY A 138 22.626 10.179 1.234 1.00 0.36 C ATOM 2165 C GLY A 138 21.640 10.919 0.300 1.00 0.33 C ATOM 2166 O GLY A 138 20.950 11.834 0.758 1.00 0.37 O ATOM 0 H GLY A 138 23.234 8.401 0.305 1.00 0.35 H new ATOM 0 HA2 GLY A 138 22.054 9.568 1.932 1.00 0.36 H new ATOM 0 HA3 GLY A 138 23.167 10.917 1.826 1.00 0.36 H new ATOM 2170 N LYS A 139 21.570 10.531 -1.007 1.00 0.29 N ATOM 2171 CA LYS A 139 20.646 11.187 -1.955 1.00 0.29 C ATOM 2172 C LYS A 139 19.679 10.189 -2.619 1.00 0.26 C ATOM 2173 O LYS A 139 20.039 9.047 -2.909 1.00 0.25 O ATOM 2174 CB LYS A 139 21.399 11.971 -3.043 1.00 0.33 C ATOM 2175 CG LYS A 139 22.498 12.932 -2.520 1.00 0.65 C ATOM 2176 CD LYS A 139 22.852 14.069 -3.516 1.00 0.67 C ATOM 2177 CE LYS A 139 23.170 13.566 -4.934 1.00 1.00 C ATOM 2178 NZ LYS A 139 23.895 14.595 -5.729 1.00 1.56 N ATOM 0 H LYS A 139 22.133 9.783 -1.412 1.00 0.29 H new ATOM 0 HA LYS A 139 20.061 11.886 -1.358 1.00 0.29 H new ATOM 0 HB2 LYS A 139 21.857 11.260 -3.730 1.00 0.33 H new ATOM 0 HB3 LYS A 139 20.676 12.549 -3.618 1.00 0.33 H new ATOM 0 HG2 LYS A 139 22.166 13.373 -1.580 1.00 0.65 H new ATOM 0 HG3 LYS A 139 23.398 12.357 -2.302 1.00 0.65 H new ATOM 0 HD2 LYS A 139 22.019 14.770 -3.566 1.00 0.67 H new ATOM 0 HD3 LYS A 139 23.710 14.621 -3.134 1.00 0.67 H new ATOM 0 HE2 LYS A 139 23.773 12.660 -4.873 1.00 1.00 H new ATOM 0 HE3 LYS A 139 22.244 13.298 -5.442 1.00 1.00 H new ATOM 0 HZ1 LYS A 139 24.094 14.223 -6.680 1.00 1.56 H new ATOM 0 HZ2 LYS A 139 23.308 15.450 -5.808 1.00 1.56 H new ATOM 0 HZ3 LYS A 139 24.790 14.832 -5.256 1.00 1.56 H new ATOM 2192 N LEU A 140 18.469 10.678 -2.944 1.00 0.25 N ATOM 2193 CA LEU A 140 17.385 9.846 -3.501 1.00 0.24 C ATOM 2194 C LEU A 140 17.168 10.005 -5.023 1.00 0.26 C ATOM 2195 O LEU A 140 17.312 11.092 -5.587 1.00 0.34 O ATOM 2196 CB LEU A 140 16.087 10.226 -2.763 1.00 0.24 C ATOM 2197 CG LEU A 140 15.012 9.123 -2.550 1.00 0.22 C ATOM 2198 CD1 LEU A 140 14.585 9.034 -1.091 1.00 0.22 C ATOM 2199 CD2 LEU A 140 13.782 9.375 -3.400 1.00 0.25 C ATOM 0 H LEU A 140 18.214 11.659 -2.829 1.00 0.25 H new ATOM 0 HA LEU A 140 17.668 8.804 -3.355 1.00 0.24 H new ATOM 0 HB2 LEU A 140 16.363 10.615 -1.783 1.00 0.24 H new ATOM 0 HB3 LEU A 140 15.620 11.044 -3.311 1.00 0.24 H new ATOM 0 HG LEU A 140 15.473 8.182 -2.850 1.00 0.22 H new ATOM 0 HD11 LEU A 140 13.833 8.253 -0.979 1.00 0.22 H new ATOM 0 HD12 LEU A 140 15.450 8.796 -0.473 1.00 0.22 H new ATOM 0 HD13 LEU A 140 14.166 9.989 -0.776 1.00 0.22 H new ATOM 0 HD21 LEU A 140 13.051 8.585 -3.226 1.00 0.25 H new ATOM 0 HD22 LEU A 140 13.346 10.338 -3.133 1.00 0.25 H new ATOM 0 HD23 LEU A 140 14.063 9.384 -4.453 1.00 0.25 H new ATOM 2211 N SER A 141 16.805 8.883 -5.662 1.00 0.21 N ATOM 2212 CA SER A 141 16.511 8.848 -7.099 1.00 0.22 C ATOM 2213 C SER A 141 15.218 8.051 -7.365 1.00 0.19 C ATOM 2214 O SER A 141 15.194 6.818 -7.231 1.00 0.16 O ATOM 2215 CB SER A 141 17.689 8.226 -7.869 1.00 0.25 C ATOM 2216 OG SER A 141 17.959 8.938 -9.068 1.00 0.64 O ATOM 0 H SER A 141 16.708 7.980 -5.198 1.00 0.21 H new ATOM 0 HA SER A 141 16.366 9.870 -7.448 1.00 0.22 H new ATOM 0 HB2 SER A 141 18.578 8.224 -7.238 1.00 0.25 H new ATOM 0 HB3 SER A 141 17.463 7.186 -8.105 1.00 0.25 H new ATOM 0 HG SER A 141 18.713 8.520 -9.534 1.00 0.64 H new ATOM 2222 N VAL A 142 14.146 8.780 -7.755 1.00 0.21 N ATOM 2223 CA VAL A 142 12.821 8.179 -8.053 1.00 0.22 C ATOM 2224 C VAL A 142 12.582 8.149 -9.628 1.00 0.25 C ATOM 2225 O VAL A 142 12.103 9.122 -10.217 1.00 0.26 O ATOM 2226 CB VAL A 142 11.631 8.894 -7.164 1.00 0.27 C ATOM 2227 CG1 VAL A 142 11.285 10.360 -7.541 1.00 0.46 C ATOM 2228 CG2 VAL A 142 10.325 8.064 -7.132 1.00 0.41 C ATOM 0 H VAL A 142 14.172 9.793 -7.872 1.00 0.21 H new ATOM 0 HA VAL A 142 12.795 7.136 -7.737 1.00 0.22 H new ATOM 0 HB VAL A 142 12.080 8.928 -6.172 1.00 0.27 H new ATOM 0 HG11 VAL A 142 10.490 10.725 -6.890 1.00 0.46 H new ATOM 0 HG12 VAL A 142 12.169 10.985 -7.419 1.00 0.46 H new ATOM 0 HG13 VAL A 142 10.952 10.400 -8.578 1.00 0.46 H new ATOM 0 HG21 VAL A 142 9.578 8.584 -6.532 1.00 0.41 H new ATOM 0 HG22 VAL A 142 9.950 7.936 -8.148 1.00 0.41 H new ATOM 0 HG23 VAL A 142 10.526 7.086 -6.694 1.00 0.41 H new ATOM 2238 N GLN A 143 12.958 7.004 -10.279 1.00 0.31 N ATOM 2239 CA GLN A 143 12.818 6.758 -11.767 1.00 0.39 C ATOM 2240 C GLN A 143 13.721 7.682 -12.648 1.00 0.41 C ATOM 2241 O GLN A 143 14.803 7.273 -13.080 1.00 0.46 O ATOM 2242 CB GLN A 143 11.331 6.848 -12.232 1.00 0.44 C ATOM 2243 CG GLN A 143 10.454 5.602 -11.947 1.00 0.65 C ATOM 2244 CD GLN A 143 9.863 5.589 -10.548 1.00 0.87 C ATOM 2245 OE1 GLN A 143 8.758 6.077 -10.325 1.00 1.56 O ATOM 2246 NE2 GLN A 143 10.602 5.027 -9.598 1.00 1.12 N ATOM 0 H GLN A 143 13.372 6.212 -9.787 1.00 0.31 H new ATOM 0 HA GLN A 143 13.174 5.739 -11.919 1.00 0.39 H new ATOM 0 HB2 GLN A 143 10.871 7.710 -11.748 1.00 0.44 H new ATOM 0 HB3 GLN A 143 11.317 7.040 -13.305 1.00 0.44 H new ATOM 0 HG2 GLN A 143 9.645 5.562 -12.676 1.00 0.65 H new ATOM 0 HG3 GLN A 143 11.055 4.704 -12.088 1.00 0.65 H new ATOM 0 HE21 GLN A 143 11.515 4.634 -9.828 1.00 1.12 H new ATOM 0 HE22 GLN A 143 10.257 4.989 -8.639 1.00 1.12 H new ATOM 2255 N GLY A 144 13.241 8.918 -12.896 1.00 0.40 N ATOM 2256 CA GLY A 144 13.988 9.913 -13.672 1.00 0.45 C ATOM 2257 C GLY A 144 14.068 11.301 -12.997 1.00 0.42 C ATOM 2258 O GLY A 144 14.233 12.308 -13.688 1.00 0.49 O ATOM 0 H GLY A 144 12.334 9.246 -12.565 1.00 0.40 H new ATOM 0 HA2 GLY A 144 14.999 9.543 -13.841 1.00 0.45 H new ATOM 0 HA3 GLY A 144 13.521 10.022 -14.651 1.00 0.45 H new ATOM 2262 N GLU A 145 13.947 11.345 -11.644 1.00 0.33 N ATOM 2263 CA GLU A 145 14.021 12.597 -10.870 1.00 0.32 C ATOM 2264 C GLU A 145 15.006 12.435 -9.696 1.00 0.27 C ATOM 2265 O GLU A 145 14.795 11.610 -8.803 1.00 0.36 O ATOM 2266 CB GLU A 145 12.616 12.998 -10.349 1.00 0.37 C ATOM 2267 CG GLU A 145 12.382 14.513 -10.230 1.00 0.80 C ATOM 2268 CD GLU A 145 10.996 14.846 -9.710 1.00 1.16 C ATOM 2269 OE1 GLU A 145 10.008 14.477 -10.377 1.00 1.53 O ATOM 2270 OE2 GLU A 145 10.899 15.476 -8.635 1.00 1.82 O ATOM 0 H GLU A 145 13.797 10.516 -11.069 1.00 0.33 H new ATOM 0 HA GLU A 145 14.382 13.391 -11.523 1.00 0.32 H new ATOM 0 HB2 GLU A 145 11.863 12.579 -11.017 1.00 0.37 H new ATOM 0 HB3 GLU A 145 12.463 12.543 -9.371 1.00 0.37 H new ATOM 0 HG2 GLU A 145 13.130 14.942 -9.563 1.00 0.80 H new ATOM 0 HG3 GLU A 145 12.522 14.977 -11.206 1.00 0.80 H new ATOM 2277 N VAL A 146 16.076 13.252 -9.704 1.00 0.30 N ATOM 2278 CA VAL A 146 17.128 13.187 -8.663 1.00 0.27 C ATOM 2279 C VAL A 146 17.046 14.397 -7.642 1.00 0.28 C ATOM 2280 O VAL A 146 16.938 15.568 -8.028 1.00 0.32 O ATOM 2281 CB VAL A 146 18.582 12.935 -9.353 1.00 0.31 C ATOM 2282 CG1 VAL A 146 19.247 14.166 -10.052 1.00 1.02 C ATOM 2283 CG2 VAL A 146 19.598 12.273 -8.384 1.00 0.72 C ATOM 0 H VAL A 146 16.238 13.964 -10.416 1.00 0.30 H new ATOM 0 HA VAL A 146 16.955 12.322 -8.023 1.00 0.27 H new ATOM 0 HB VAL A 146 18.331 12.244 -10.158 1.00 0.31 H new ATOM 0 HG11 VAL A 146 20.209 13.871 -10.472 1.00 1.02 H new ATOM 0 HG12 VAL A 146 18.598 14.526 -10.850 1.00 1.02 H new ATOM 0 HG13 VAL A 146 19.399 14.961 -9.322 1.00 1.02 H new ATOM 0 HG21 VAL A 146 20.549 12.129 -8.897 1.00 0.72 H new ATOM 0 HG22 VAL A 146 19.747 12.917 -7.517 1.00 0.72 H new ATOM 0 HG23 VAL A 146 19.212 11.308 -8.056 1.00 0.72 H new ATOM 2293 N SER A 147 17.096 14.045 -6.347 1.00 0.27 N ATOM 2294 CA SER A 147 17.049 15.003 -5.232 1.00 0.29 C ATOM 2295 C SER A 147 17.800 14.421 -4.017 1.00 0.29 C ATOM 2296 O SER A 147 18.388 13.337 -4.093 1.00 0.30 O ATOM 2297 CB SER A 147 15.589 15.318 -4.850 1.00 0.31 C ATOM 2298 OG SER A 147 15.086 16.419 -5.591 1.00 0.56 O ATOM 0 H SER A 147 17.171 13.075 -6.042 1.00 0.27 H new ATOM 0 HA SER A 147 17.530 15.930 -5.544 1.00 0.29 H new ATOM 0 HB2 SER A 147 14.967 14.441 -5.030 1.00 0.31 H new ATOM 0 HB3 SER A 147 15.529 15.537 -3.784 1.00 0.31 H new ATOM 0 HG SER A 147 15.505 16.436 -6.477 1.00 0.56 H new ATOM 2304 N THR A 148 17.830 15.159 -2.901 1.00 0.30 N ATOM 2305 CA THR A 148 18.506 14.670 -1.677 1.00 0.31 C ATOM 2306 C THR A 148 17.509 14.141 -0.574 1.00 0.27 C ATOM 2307 O THR A 148 16.453 14.734 -0.322 1.00 0.32 O ATOM 2308 CB THR A 148 19.617 15.698 -1.131 1.00 0.44 C ATOM 2309 OG1 THR A 148 20.348 15.135 -0.024 1.00 1.25 O ATOM 2310 CG2 THR A 148 19.098 17.101 -0.712 1.00 0.99 C ATOM 0 H THR A 148 17.404 16.082 -2.812 1.00 0.30 H new ATOM 0 HA THR A 148 19.063 13.782 -1.974 1.00 0.31 H new ATOM 0 HB THR A 148 20.259 15.855 -1.998 1.00 0.44 H new ATOM 0 HG1 THR A 148 21.018 15.779 0.287 1.00 1.25 H new ATOM 0 HG21 THR A 148 19.933 17.708 -0.361 1.00 0.99 H new ATOM 0 HG22 THR A 148 18.631 17.587 -1.569 1.00 0.99 H new ATOM 0 HG23 THR A 148 18.366 16.994 0.088 1.00 0.99 H new ATOM 2318 N PHE A 149 17.903 13.008 0.069 1.00 0.26 N ATOM 2319 CA PHE A 149 17.135 12.347 1.173 1.00 0.24 C ATOM 2320 C PHE A 149 17.383 13.047 2.533 1.00 0.24 C ATOM 2321 O PHE A 149 18.532 13.167 2.978 1.00 0.29 O ATOM 2322 CB PHE A 149 17.550 10.843 1.281 1.00 0.23 C ATOM 2323 CG PHE A 149 16.930 10.076 2.469 1.00 0.22 C ATOM 2324 CD1 PHE A 149 15.565 9.765 2.496 1.00 0.22 C ATOM 2325 CD2 PHE A 149 17.720 9.629 3.535 1.00 0.24 C ATOM 2326 CE1 PHE A 149 15.021 9.035 3.536 1.00 0.24 C ATOM 2327 CE2 PHE A 149 17.171 8.908 4.574 1.00 0.26 C ATOM 2328 CZ PHE A 149 15.790 8.771 4.661 1.00 0.25 C ATOM 0 H PHE A 149 18.768 12.520 -0.162 1.00 0.26 H new ATOM 0 HA PHE A 149 16.074 12.425 0.935 1.00 0.24 H new ATOM 0 HB2 PHE A 149 17.270 10.338 0.357 1.00 0.23 H new ATOM 0 HB3 PHE A 149 18.636 10.786 1.359 1.00 0.23 H new ATOM 0 HD1 PHE A 149 14.927 10.101 1.692 1.00 0.22 H new ATOM 0 HD2 PHE A 149 18.777 9.853 3.544 1.00 0.24 H new ATOM 0 HE1 PHE A 149 14.005 8.673 3.474 1.00 0.24 H new ATOM 0 HE2 PHE A 149 17.810 8.452 5.316 1.00 0.26 H new ATOM 0 HZ PHE A 149 15.325 8.465 5.586 1.00 0.25 H new ATOM 2338 N THR A 150 16.295 13.491 3.188 1.00 0.25 N ATOM 2339 CA THR A 150 16.432 14.173 4.497 1.00 0.30 C ATOM 2340 C THR A 150 15.575 13.517 5.602 1.00 0.40 C ATOM 2341 O THR A 150 14.414 13.886 5.812 1.00 1.15 O ATOM 2342 CB THR A 150 16.100 15.718 4.438 1.00 0.66 C ATOM 2343 OG1 THR A 150 15.082 16.011 3.457 1.00 1.42 O ATOM 2344 CG2 THR A 150 17.346 16.583 4.142 1.00 1.18 C ATOM 0 H THR A 150 15.337 13.397 2.850 1.00 0.25 H new ATOM 0 HA THR A 150 17.486 14.060 4.749 1.00 0.30 H new ATOM 0 HB THR A 150 15.730 15.973 5.431 1.00 0.66 H new ATOM 0 HG1 THR A 150 14.902 16.974 3.450 1.00 1.42 H new ATOM 0 HG21 THR A 150 17.060 17.635 4.113 1.00 1.18 H new ATOM 0 HG22 THR A 150 18.089 16.430 4.925 1.00 1.18 H new ATOM 0 HG23 THR A 150 17.769 16.295 3.179 1.00 1.18 H new ATOM 2352 N GLY A 151 16.196 12.538 6.310 1.00 0.32 N ATOM 2353 CA GLY A 151 15.584 11.828 7.461 1.00 0.18 C ATOM 2354 C GLY A 151 14.492 10.768 7.204 1.00 0.20 C ATOM 2355 O GLY A 151 14.687 9.600 7.550 1.00 0.42 O ATOM 0 H GLY A 151 17.141 12.218 6.096 1.00 0.32 H new ATOM 0 HA2 GLY A 151 16.390 11.341 8.011 1.00 0.18 H new ATOM 0 HA3 GLY A 151 15.158 12.583 8.122 1.00 0.18 H new ATOM 2359 N LYS A 152 13.351 11.170 6.611 1.00 0.16 N ATOM 2360 CA LYS A 152 12.222 10.248 6.402 1.00 0.13 C ATOM 2361 C LYS A 152 11.573 10.346 5.003 1.00 0.13 C ATOM 2362 O LYS A 152 11.655 11.365 4.312 1.00 0.16 O ATOM 2363 CB LYS A 152 11.184 10.498 7.570 1.00 0.22 C ATOM 2364 CG LYS A 152 9.663 10.302 7.259 1.00 0.41 C ATOM 2365 CD LYS A 152 8.853 11.632 7.191 1.00 0.56 C ATOM 2366 CE LYS A 152 9.262 12.556 6.033 1.00 0.69 C ATOM 2367 NZ LYS A 152 8.399 13.767 5.968 1.00 1.10 N ATOM 0 H LYS A 152 13.189 12.118 6.272 1.00 0.16 H new ATOM 0 HA LYS A 152 12.595 9.224 6.433 1.00 0.13 H new ATOM 0 HB2 LYS A 152 11.444 9.834 8.395 1.00 0.22 H new ATOM 0 HB3 LYS A 152 11.323 11.519 7.926 1.00 0.22 H new ATOM 0 HG2 LYS A 152 9.562 9.778 6.309 1.00 0.41 H new ATOM 0 HG3 LYS A 152 9.226 9.661 8.025 1.00 0.41 H new ATOM 0 HD2 LYS A 152 7.793 11.395 7.096 1.00 0.56 H new ATOM 0 HD3 LYS A 152 8.977 12.169 8.131 1.00 0.56 H new ATOM 0 HE2 LYS A 152 10.303 12.856 6.156 1.00 0.69 H new ATOM 0 HE3 LYS A 152 9.197 12.011 5.091 1.00 0.69 H new ATOM 0 HZ1 LYS A 152 8.703 14.368 5.175 1.00 1.10 H new ATOM 0 HZ2 LYS A 152 7.409 13.481 5.826 1.00 1.10 H new ATOM 0 HZ3 LYS A 152 8.481 14.300 6.857 1.00 1.10 H new ATOM 2381 N LEU A 153 10.904 9.229 4.639 1.00 0.12 N ATOM 2382 CA LEU A 153 10.132 9.078 3.377 1.00 0.13 C ATOM 2383 C LEU A 153 8.625 9.187 3.677 1.00 0.13 C ATOM 2384 O LEU A 153 8.158 8.646 4.688 1.00 0.18 O ATOM 2385 CB LEU A 153 10.403 7.704 2.737 1.00 0.15 C ATOM 2386 CG LEU A 153 10.081 7.552 1.220 1.00 0.34 C ATOM 2387 CD1 LEU A 153 11.340 7.619 0.372 1.00 0.43 C ATOM 2388 CD2 LEU A 153 9.346 6.249 0.928 1.00 0.67 C ATOM 0 H LEU A 153 10.883 8.391 5.221 1.00 0.12 H new ATOM 0 HA LEU A 153 10.442 9.866 2.690 1.00 0.13 H new ATOM 0 HB2 LEU A 153 11.456 7.463 2.885 1.00 0.15 H new ATOM 0 HB3 LEU A 153 9.826 6.957 3.282 1.00 0.15 H new ATOM 0 HG LEU A 153 9.433 8.388 0.958 1.00 0.34 H new ATOM 0 HD11 LEU A 153 11.076 7.509 -0.680 1.00 0.43 H new ATOM 0 HD12 LEU A 153 11.831 8.580 0.525 1.00 0.43 H new ATOM 0 HD13 LEU A 153 12.017 6.816 0.662 1.00 0.43 H new ATOM 0 HD21 LEU A 153 9.139 6.179 -0.140 1.00 0.67 H new ATOM 0 HD22 LEU A 153 9.965 5.406 1.233 1.00 0.67 H new ATOM 0 HD23 LEU A 153 8.407 6.229 1.482 1.00 0.67 H new ATOM 2400 N SER A 154 7.846 9.863 2.812 1.00 0.14 N ATOM 2401 CA SER A 154 6.414 10.002 3.106 1.00 0.16 C ATOM 2402 C SER A 154 5.484 9.440 2.012 1.00 0.19 C ATOM 2403 O SER A 154 5.624 9.740 0.833 1.00 0.36 O ATOM 2404 CB SER A 154 6.088 11.495 3.328 1.00 0.21 C ATOM 2405 OG SER A 154 4.932 11.687 4.134 1.00 0.24 O ATOM 0 H SER A 154 8.165 10.300 1.947 1.00 0.14 H new ATOM 0 HA SER A 154 6.226 9.409 4.001 1.00 0.16 H new ATOM 0 HB2 SER A 154 6.941 11.983 3.800 1.00 0.21 H new ATOM 0 HB3 SER A 154 5.938 11.978 2.362 1.00 0.21 H new ATOM 0 HG SER A 154 4.135 11.419 3.631 1.00 0.24 H new ATOM 2411 N VAL A 155 4.489 8.647 2.444 1.00 0.16 N ATOM 2412 CA VAL A 155 3.469 8.081 1.514 1.00 0.19 C ATOM 2413 C VAL A 155 2.128 8.786 1.867 1.00 0.25 C ATOM 2414 O VAL A 155 1.423 8.400 2.807 1.00 0.30 O ATOM 2415 CB VAL A 155 3.354 6.472 1.543 1.00 0.28 C ATOM 2416 CG1 VAL A 155 2.431 5.891 0.429 1.00 0.39 C ATOM 2417 CG2 VAL A 155 4.721 5.769 1.382 1.00 0.74 C ATOM 0 H VAL A 155 4.361 8.379 3.420 1.00 0.16 H new ATOM 0 HA VAL A 155 3.765 8.276 0.483 1.00 0.19 H new ATOM 0 HB VAL A 155 2.927 6.273 2.526 1.00 0.28 H new ATOM 0 HG11 VAL A 155 2.402 4.804 0.511 1.00 0.39 H new ATOM 0 HG12 VAL A 155 1.424 6.291 0.546 1.00 0.39 H new ATOM 0 HG13 VAL A 155 2.821 6.171 -0.549 1.00 0.39 H new ATOM 0 HG21 VAL A 155 4.580 4.689 1.409 1.00 0.74 H new ATOM 0 HG22 VAL A 155 5.166 6.053 0.428 1.00 0.74 H new ATOM 0 HG23 VAL A 155 5.382 6.069 2.195 1.00 0.74 H new ATOM 2427 N GLU A 156 1.826 9.822 1.077 1.00 0.28 N ATOM 2428 CA GLU A 156 0.645 10.665 1.278 1.00 0.36 C ATOM 2429 C GLU A 156 -0.342 10.600 0.110 1.00 0.34 C ATOM 2430 O GLU A 156 0.043 10.718 -1.058 1.00 0.38 O ATOM 2431 CB GLU A 156 1.120 12.122 1.449 1.00 0.53 C ATOM 2432 CG GLU A 156 0.725 12.819 2.767 1.00 0.73 C ATOM 2433 CD GLU A 156 1.301 12.159 4.011 1.00 1.26 C ATOM 2434 OE1 GLU A 156 2.213 11.318 3.868 1.00 1.66 O ATOM 2435 OE2 GLU A 156 0.842 12.485 5.124 1.00 1.67 O ATOM 0 H GLU A 156 2.396 10.099 0.278 1.00 0.28 H new ATOM 0 HA GLU A 156 0.120 10.299 2.161 1.00 0.36 H new ATOM 0 HB2 GLU A 156 2.207 12.140 1.365 1.00 0.53 H new ATOM 0 HB3 GLU A 156 0.726 12.710 0.620 1.00 0.53 H new ATOM 0 HG2 GLU A 156 1.057 13.857 2.731 1.00 0.73 H new ATOM 0 HG3 GLU A 156 -0.362 12.835 2.846 1.00 0.73 H new ATOM 2442 N PHE A 157 -1.627 10.418 0.445 1.00 0.35 N ATOM 2443 CA PHE A 157 -2.680 10.383 -0.576 1.00 0.40 C ATOM 2444 C PHE A 157 -3.746 11.459 -0.330 1.00 0.41 C ATOM 2445 O PHE A 157 -4.218 11.692 0.811 1.00 0.43 O ATOM 2446 CB PHE A 157 -3.330 8.986 -0.771 1.00 0.51 C ATOM 2447 CG PHE A 157 -3.237 8.032 0.412 1.00 0.60 C ATOM 2448 CD1 PHE A 157 -3.924 8.298 1.583 1.00 1.03 C ATOM 2449 CD2 PHE A 157 -2.469 6.864 0.346 1.00 0.99 C ATOM 2450 CE1 PHE A 157 -3.851 7.432 2.659 1.00 1.60 C ATOM 2451 CE2 PHE A 157 -2.396 5.999 1.420 1.00 1.55 C ATOM 2452 CZ PHE A 157 -3.089 6.284 2.580 1.00 1.80 C ATOM 0 H PHE A 157 -1.958 10.294 1.402 1.00 0.35 H new ATOM 0 HA PHE A 157 -2.172 10.607 -1.514 1.00 0.40 H new ATOM 0 HB2 PHE A 157 -4.383 9.129 -1.015 1.00 0.51 H new ATOM 0 HB3 PHE A 157 -2.865 8.509 -1.634 1.00 0.51 H new ATOM 0 HD1 PHE A 157 -4.524 9.193 1.658 1.00 1.03 H new ATOM 0 HD2 PHE A 157 -1.925 6.636 -0.559 1.00 0.99 H new ATOM 0 HE1 PHE A 157 -4.393 7.655 3.566 1.00 1.60 H new ATOM 0 HE2 PHE A 157 -1.798 5.102 1.353 1.00 1.55 H new ATOM 0 HZ PHE A 157 -3.035 5.611 3.423 1.00 1.80 H new ATOM 2462 N VAL A 158 -4.096 12.105 -1.459 1.00 0.43 N ATOM 2463 CA VAL A 158 -5.076 13.232 -1.518 1.00 0.46 C ATOM 2464 C VAL A 158 -6.413 12.758 -2.195 1.00 0.48 C ATOM 2465 O VAL A 158 -6.408 11.970 -3.158 1.00 0.47 O ATOM 2466 CB VAL A 158 -4.507 14.553 -2.276 1.00 0.50 C ATOM 2467 CG1 VAL A 158 -5.110 15.869 -1.720 1.00 0.58 C ATOM 2468 CG2 VAL A 158 -2.964 14.722 -2.239 1.00 0.58 C ATOM 0 H VAL A 158 -3.708 11.864 -2.371 1.00 0.43 H new ATOM 0 HA VAL A 158 -5.263 13.525 -0.485 1.00 0.46 H new ATOM 0 HB VAL A 158 -4.816 14.377 -3.306 1.00 0.50 H new ATOM 0 HG11 VAL A 158 -4.694 16.718 -2.263 1.00 0.58 H new ATOM 0 HG12 VAL A 158 -6.193 15.854 -1.844 1.00 0.58 H new ATOM 0 HG13 VAL A 158 -4.867 15.962 -0.661 1.00 0.58 H new ATOM 0 HG21 VAL A 158 -2.685 15.631 -2.771 1.00 0.58 H new ATOM 0 HG22 VAL A 158 -2.630 14.790 -1.204 1.00 0.58 H new ATOM 0 HG23 VAL A 158 -2.492 13.863 -2.716 1.00 0.58 H new ATOM 2478 N LYS A 159 -7.544 13.298 -1.672 1.00 0.52 N ATOM 2479 CA LYS A 159 -8.929 12.977 -2.130 1.00 0.56 C ATOM 2480 C LYS A 159 -9.403 13.788 -3.375 1.00 0.66 C ATOM 2481 O LYS A 159 -8.991 14.935 -3.592 1.00 0.81 O ATOM 2482 CB LYS A 159 -9.935 13.179 -0.951 1.00 0.72 C ATOM 2483 CG LYS A 159 -10.353 14.649 -0.644 1.00 1.06 C ATOM 2484 CD LYS A 159 -9.211 15.496 -0.043 1.00 1.48 C ATOM 2485 CE LYS A 159 -9.669 16.923 0.310 1.00 1.63 C ATOM 2486 NZ LYS A 159 -10.147 17.662 -0.892 1.00 2.18 N ATOM 0 H LYS A 159 -7.524 13.977 -0.911 1.00 0.52 H new ATOM 0 HA LYS A 159 -8.904 11.934 -2.447 1.00 0.56 H new ATOM 0 HB2 LYS A 159 -10.836 12.605 -1.168 1.00 0.72 H new ATOM 0 HB3 LYS A 159 -9.495 12.753 -0.049 1.00 0.72 H new ATOM 0 HG2 LYS A 159 -10.700 15.120 -1.564 1.00 1.06 H new ATOM 0 HG3 LYS A 159 -11.195 14.643 0.049 1.00 1.06 H new ATOM 0 HD2 LYS A 159 -8.831 15.006 0.853 1.00 1.48 H new ATOM 0 HD3 LYS A 159 -8.386 15.546 -0.753 1.00 1.48 H new ATOM 0 HE2 LYS A 159 -10.468 16.876 1.050 1.00 1.63 H new ATOM 0 HE3 LYS A 159 -8.843 17.468 0.767 1.00 1.63 H new ATOM 0 HZ1 LYS A 159 -10.318 18.657 -0.642 1.00 2.18 H new ATOM 0 HZ2 LYS A 159 -9.426 17.612 -1.640 1.00 2.18 H new ATOM 0 HZ3 LYS A 159 -11.031 17.234 -1.234 1.00 2.18 H new ATOM 2500 N GLY A 160 -10.287 13.154 -4.170 1.00 0.74 N ATOM 2501 CA GLY A 160 -10.854 13.780 -5.377 1.00 0.93 C ATOM 2502 C GLY A 160 -12.319 14.239 -5.218 1.00 0.96 C ATOM 2503 O GLY A 160 -12.658 15.363 -5.597 1.00 1.02 O ATOM 0 H GLY A 160 -10.623 12.207 -3.996 1.00 0.74 H new ATOM 0 HA2 GLY A 160 -10.242 14.640 -5.649 1.00 0.93 H new ATOM 0 HA3 GLY A 160 -10.794 13.072 -6.203 1.00 0.93 H new ATOM 2507 N TYR A 161 -13.179 13.359 -4.659 1.00 0.96 N ATOM 2508 CA TYR A 161 -14.606 13.666 -4.431 1.00 1.02 C ATOM 2509 C TYR A 161 -15.027 13.404 -2.963 1.00 1.05 C ATOM 2510 O TYR A 161 -15.452 14.331 -2.268 1.00 1.11 O ATOM 2511 CB TYR A 161 -15.495 12.847 -5.388 1.00 1.14 C ATOM 2512 CG TYR A 161 -15.697 13.486 -6.771 1.00 1.34 C ATOM 2513 CD1 TYR A 161 -14.813 13.224 -7.825 1.00 1.63 C ATOM 2514 CD2 TYR A 161 -16.768 14.350 -7.024 1.00 1.81 C ATOM 2515 CE1 TYR A 161 -14.992 13.801 -9.073 1.00 2.07 C ATOM 2516 CE2 TYR A 161 -16.946 14.924 -8.273 1.00 2.26 C ATOM 2517 CZ TYR A 161 -16.071 14.648 -9.285 1.00 2.29 C ATOM 2518 OH TYR A 161 -16.232 15.220 -10.526 1.00 2.86 O ATOM 0 H TYR A 161 -12.905 12.424 -4.356 1.00 0.96 H new ATOM 0 HA TYR A 161 -14.744 14.728 -4.633 1.00 1.02 H new ATOM 0 HB2 TYR A 161 -15.053 11.859 -5.519 1.00 1.14 H new ATOM 0 HB3 TYR A 161 -16.470 12.701 -4.923 1.00 1.14 H new ATOM 0 HD1 TYR A 161 -13.977 12.560 -7.663 1.00 1.63 H new ATOM 0 HD2 TYR A 161 -17.468 14.574 -6.233 1.00 1.81 H new ATOM 0 HE1 TYR A 161 -14.298 13.593 -9.874 1.00 2.07 H new ATOM 0 HE2 TYR A 161 -17.778 15.591 -8.446 1.00 2.26 H new ATOM 0 HH TYR A 161 -17.031 15.787 -10.524 1.00 2.86 H new ATOM 2528 N TYR A 162 -14.905 12.137 -2.503 1.00 1.09 N ATOM 2529 CA TYR A 162 -15.268 11.746 -1.121 1.00 1.17 C ATOM 2530 C TYR A 162 -14.143 10.952 -0.407 1.00 1.10 C ATOM 2531 O TYR A 162 -13.852 11.210 0.764 1.00 1.71 O ATOM 2532 CB TYR A 162 -16.561 10.908 -1.119 1.00 1.54 C ATOM 2533 CG TYR A 162 -17.845 11.714 -1.372 1.00 1.88 C ATOM 2534 CD1 TYR A 162 -18.450 12.472 -0.360 1.00 2.00 C ATOM 2535 CD2 TYR A 162 -18.453 11.714 -2.632 1.00 2.57 C ATOM 2536 CE1 TYR A 162 -19.607 13.195 -0.602 1.00 2.64 C ATOM 2537 CE2 TYR A 162 -19.610 12.438 -2.870 1.00 3.18 C ATOM 2538 CZ TYR A 162 -20.178 13.189 -1.810 1.00 3.16 C ATOM 2539 OH TYR A 162 -21.329 13.890 -2.093 1.00 3.91 O ATOM 0 H TYR A 162 -14.556 11.365 -3.072 1.00 1.09 H new ATOM 0 HA TYR A 162 -15.422 12.673 -0.569 1.00 1.17 H new ATOM 0 HB2 TYR A 162 -16.478 10.133 -1.881 1.00 1.54 H new ATOM 0 HB3 TYR A 162 -16.649 10.401 -0.158 1.00 1.54 H new ATOM 0 HD1 TYR A 162 -18.007 12.493 0.625 1.00 2.00 H new ATOM 0 HD2 TYR A 162 -18.013 11.139 -3.433 1.00 2.57 H new ATOM 0 HE1 TYR A 162 -20.053 13.771 0.196 1.00 2.64 H new ATOM 0 HE2 TYR A 162 -20.071 12.430 -3.846 1.00 3.18 H new ATOM 0 HH TYR A 162 -21.575 13.750 -3.031 1.00 3.91 H new ATOM 2549 N ASP A 163 -13.519 9.988 -1.123 1.00 1.04 N ATOM 2550 CA ASP A 163 -12.428 9.135 -0.577 1.00 0.99 C ATOM 2551 C ASP A 163 -11.037 9.498 -1.170 1.00 1.06 C ATOM 2552 O ASP A 163 -10.920 10.339 -2.070 1.00 1.74 O ATOM 2553 CB ASP A 163 -12.737 7.650 -0.866 1.00 1.11 C ATOM 2554 CG ASP A 163 -13.630 6.997 0.185 1.00 1.19 C ATOM 2555 OD1 ASP A 163 -14.457 7.710 0.790 1.00 1.34 O ATOM 2556 OD2 ASP A 163 -13.494 5.775 0.405 1.00 1.27 O ATOM 0 H ASP A 163 -13.754 9.777 -2.093 1.00 1.04 H new ATOM 0 HA ASP A 163 -12.384 9.313 0.497 1.00 0.99 H new ATOM 0 HB2 ASP A 163 -13.219 7.571 -1.840 1.00 1.11 H new ATOM 0 HB3 ASP A 163 -11.799 7.098 -0.928 1.00 1.11 H new ATOM 2561 N ASN A 164 -9.981 8.859 -0.631 1.00 0.83 N ATOM 2562 CA ASN A 164 -8.588 9.071 -1.105 1.00 0.83 C ATOM 2563 C ASN A 164 -7.893 7.712 -1.324 1.00 1.01 C ATOM 2564 O ASN A 164 -7.433 7.449 -2.436 1.00 1.68 O ATOM 2565 CB ASN A 164 -7.661 10.029 -0.224 1.00 1.02 C ATOM 2566 CG ASN A 164 -8.195 10.519 1.146 1.00 0.88 C ATOM 2567 OD1 ASN A 164 -9.068 9.910 1.764 1.00 1.57 O ATOM 2568 ND2 ASN A 164 -7.638 11.616 1.634 1.00 0.82 N ATOM 0 H ASN A 164 -10.060 8.190 0.134 1.00 0.83 H new ATOM 0 HA ASN A 164 -8.709 9.616 -2.041 1.00 0.83 H new ATOM 0 HB2 ASN A 164 -6.720 9.508 -0.046 1.00 1.02 H new ATOM 0 HB3 ASN A 164 -7.429 10.909 -0.824 1.00 1.02 H new ATOM 0 HD21 ASN A 164 -7.930 11.976 2.543 1.00 0.82 H new ATOM 0 HD22 ASN A 164 -6.916 12.102 1.101 1.00 0.82 H new ATOM 2575 N PRO A 165 -7.779 6.820 -0.284 1.00 0.87 N ATOM 2576 CA PRO A 165 -7.158 5.490 -0.455 1.00 1.06 C ATOM 2577 C PRO A 165 -8.146 4.287 -0.584 1.00 0.93 C ATOM 2578 O PRO A 165 -8.087 3.528 -1.554 1.00 1.76 O ATOM 2579 CB PRO A 165 -6.353 5.375 0.849 1.00 1.45 C ATOM 2580 CG PRO A 165 -7.219 6.059 1.900 1.00 2.06 C ATOM 2581 CD PRO A 165 -8.122 7.052 1.147 1.00 1.41 C ATOM 0 HA PRO A 165 -6.598 5.432 -1.388 1.00 1.06 H new ATOM 0 HB2 PRO A 165 -6.165 4.333 1.108 1.00 1.45 H new ATOM 0 HB3 PRO A 165 -5.382 5.861 0.759 1.00 1.45 H new ATOM 0 HG2 PRO A 165 -7.817 5.328 2.445 1.00 2.06 H new ATOM 0 HG3 PRO A 165 -6.601 6.577 2.634 1.00 2.06 H new ATOM 0 HD2 PRO A 165 -9.177 6.862 1.342 1.00 1.41 H new ATOM 0 HD3 PRO A 165 -7.923 8.081 1.445 1.00 1.41 H new ATOM 2589 N LYS A 166 -9.041 4.147 0.441 1.00 0.54 N ATOM 2590 CA LYS A 166 -10.048 3.061 0.613 1.00 0.47 C ATOM 2591 C LYS A 166 -9.361 1.802 1.233 1.00 0.42 C ATOM 2592 O LYS A 166 -9.308 1.704 2.461 1.00 0.47 O ATOM 2593 CB LYS A 166 -10.861 2.780 -0.683 1.00 0.82 C ATOM 2594 CG LYS A 166 -12.297 2.254 -0.444 1.00 1.30 C ATOM 2595 CD LYS A 166 -13.136 2.234 -1.739 1.00 1.83 C ATOM 2596 CE LYS A 166 -14.531 1.627 -1.509 1.00 2.33 C ATOM 2597 NZ LYS A 166 -14.458 0.302 -0.834 1.00 3.00 N ATOM 0 H LYS A 166 -9.078 4.823 1.204 1.00 0.54 H new ATOM 0 HA LYS A 166 -10.808 3.392 1.321 1.00 0.47 H new ATOM 0 HB2 LYS A 166 -10.918 3.699 -1.267 1.00 0.82 H new ATOM 0 HB3 LYS A 166 -10.318 2.052 -1.286 1.00 0.82 H new ATOM 0 HG2 LYS A 166 -12.248 1.247 -0.029 1.00 1.30 H new ATOM 0 HG3 LYS A 166 -12.792 2.881 0.298 1.00 1.30 H new ATOM 0 HD2 LYS A 166 -13.240 3.250 -2.120 1.00 1.83 H new ATOM 0 HD3 LYS A 166 -12.611 1.660 -2.503 1.00 1.83 H new ATOM 0 HE2 LYS A 166 -15.128 2.310 -0.904 1.00 2.33 H new ATOM 0 HE3 LYS A 166 -15.042 1.519 -2.466 1.00 2.33 H new ATOM 0 HZ1 LYS A 166 -15.290 -0.266 -1.092 1.00 3.00 H new ATOM 0 HZ2 LYS A 166 -13.594 -0.193 -1.134 1.00 3.00 H new ATOM 0 HZ3 LYS A 166 -14.438 0.438 0.197 1.00 3.00 H new ATOM 2611 N VAL A 167 -8.824 0.847 0.410 1.00 0.39 N ATOM 2612 CA VAL A 167 -8.040 -0.298 0.980 1.00 0.38 C ATOM 2613 C VAL A 167 -6.538 -0.059 0.599 1.00 0.34 C ATOM 2614 O VAL A 167 -6.210 0.064 -0.596 1.00 0.33 O ATOM 2615 CB VAL A 167 -8.544 -1.751 0.478 1.00 0.45 C ATOM 2616 CG1 VAL A 167 -7.773 -2.939 1.124 1.00 0.80 C ATOM 2617 CG2 VAL A 167 -10.046 -2.011 0.747 1.00 0.58 C ATOM 0 H VAL A 167 -8.913 0.843 -0.606 1.00 0.39 H new ATOM 0 HA VAL A 167 -8.183 -0.318 2.060 1.00 0.38 H new ATOM 0 HB VAL A 167 -8.349 -1.712 -0.594 1.00 0.45 H new ATOM 0 HG11 VAL A 167 -8.166 -3.880 0.739 1.00 0.80 H new ATOM 0 HG12 VAL A 167 -6.714 -2.861 0.879 1.00 0.80 H new ATOM 0 HG13 VAL A 167 -7.899 -2.909 2.206 1.00 0.80 H new ATOM 0 HG21 VAL A 167 -10.314 -3.003 0.385 1.00 0.58 H new ATOM 0 HG22 VAL A 167 -10.240 -1.951 1.818 1.00 0.58 H new ATOM 0 HG23 VAL A 167 -10.644 -1.262 0.228 1.00 0.58 H new ATOM 2627 N CYS A 168 -5.647 -0.133 1.623 1.00 0.35 N ATOM 2628 CA CYS A 168 -4.202 0.108 1.420 1.00 0.35 C ATOM 2629 C CYS A 168 -3.311 -0.893 2.185 1.00 0.36 C ATOM 2630 O CYS A 168 -3.373 -1.008 3.409 1.00 0.48 O ATOM 2631 CB CYS A 168 -3.853 1.536 1.846 1.00 0.37 C ATOM 2632 SG CYS A 168 -2.331 2.182 1.112 1.00 0.87 S ATOM 0 H CYS A 168 -5.904 -0.355 2.585 1.00 0.35 H new ATOM 0 HA CYS A 168 -4.002 -0.033 0.358 1.00 0.35 H new ATOM 0 HB2 CYS A 168 -4.679 2.195 1.578 1.00 0.37 H new ATOM 0 HB3 CYS A 168 -3.760 1.566 2.932 1.00 0.37 H new ATOM 0 HG CYS A 168 -2.574 2.596 -0.096 1.00 0.87 H new ATOM 2638 N ALA A 169 -2.448 -1.579 1.409 1.00 0.29 N ATOM 2639 CA ALA A 169 -1.496 -2.628 1.883 1.00 0.29 C ATOM 2640 C ALA A 169 0.014 -2.256 1.678 1.00 0.25 C ATOM 2641 O ALA A 169 0.773 -2.978 0.993 1.00 0.26 O ATOM 2642 CB ALA A 169 -1.852 -4.035 1.359 1.00 0.34 C ATOM 0 H ALA A 169 -2.385 -1.421 0.403 1.00 0.29 H new ATOM 0 HA ALA A 169 -1.626 -2.666 2.965 1.00 0.29 H new ATOM 0 HB1 ALA A 169 -1.127 -4.757 1.735 1.00 0.34 H new ATOM 0 HB2 ALA A 169 -2.849 -4.310 1.703 1.00 0.34 H new ATOM 0 HB3 ALA A 169 -1.831 -4.033 0.269 1.00 0.34 H new ATOM 2648 N LEU A 170 0.413 -1.019 2.121 1.00 0.22 N ATOM 2649 CA LEU A 170 1.806 -0.476 1.974 1.00 0.21 C ATOM 2650 C LEU A 170 2.889 -1.326 2.712 1.00 0.19 C ATOM 2651 O LEU A 170 3.080 -1.249 3.921 1.00 0.34 O ATOM 2652 CB LEU A 170 1.805 1.035 2.392 1.00 0.31 C ATOM 2653 CG LEU A 170 3.117 1.683 2.954 1.00 0.38 C ATOM 2654 CD1 LEU A 170 4.200 1.910 1.912 1.00 0.50 C ATOM 2655 CD2 LEU A 170 2.808 3.012 3.620 1.00 0.70 C ATOM 0 H LEU A 170 -0.222 -0.372 2.589 1.00 0.22 H new ATOM 0 HA LEU A 170 2.100 -0.549 0.927 1.00 0.21 H new ATOM 0 HB2 LEU A 170 1.503 1.615 1.520 1.00 0.31 H new ATOM 0 HB3 LEU A 170 1.028 1.165 3.146 1.00 0.31 H new ATOM 0 HG LEU A 170 3.505 0.959 3.671 1.00 0.38 H new ATOM 0 HD11 LEU A 170 5.072 2.361 2.386 1.00 0.50 H new ATOM 0 HD12 LEU A 170 4.482 0.956 1.467 1.00 0.50 H new ATOM 0 HD13 LEU A 170 3.824 2.576 1.135 1.00 0.50 H new ATOM 0 HD21 LEU A 170 3.729 3.449 4.005 1.00 0.70 H new ATOM 0 HD22 LEU A 170 2.362 3.689 2.891 1.00 0.70 H new ATOM 0 HD23 LEU A 170 2.110 2.853 4.442 1.00 0.70 H new ATOM 2667 N PHE A 171 3.585 -2.106 1.878 1.00 0.16 N ATOM 2668 CA PHE A 171 4.641 -3.038 2.271 1.00 0.14 C ATOM 2669 C PHE A 171 6.002 -2.565 1.706 1.00 0.14 C ATOM 2670 O PHE A 171 6.293 -2.774 0.523 1.00 0.19 O ATOM 2671 CB PHE A 171 4.224 -4.448 1.730 1.00 0.17 C ATOM 2672 CG PHE A 171 5.319 -5.514 1.593 1.00 0.16 C ATOM 2673 CD1 PHE A 171 6.337 -5.616 2.548 1.00 0.15 C ATOM 2674 CD2 PHE A 171 5.327 -6.412 0.529 1.00 0.20 C ATOM 2675 CE1 PHE A 171 7.319 -6.581 2.436 1.00 0.15 C ATOM 2676 CE2 PHE A 171 6.306 -7.370 0.421 1.00 0.21 C ATOM 2677 CZ PHE A 171 7.311 -7.441 1.320 1.00 0.17 C ATOM 0 H PHE A 171 3.420 -2.103 0.872 1.00 0.16 H new ATOM 0 HA PHE A 171 4.761 -3.086 3.353 1.00 0.14 H new ATOM 0 HB2 PHE A 171 3.451 -4.844 2.389 1.00 0.17 H new ATOM 0 HB3 PHE A 171 3.767 -4.309 0.750 1.00 0.17 H new ATOM 0 HD1 PHE A 171 6.355 -4.931 3.383 1.00 0.15 H new ATOM 0 HD2 PHE A 171 4.553 -6.355 -0.222 1.00 0.20 H new ATOM 0 HE1 PHE A 171 8.083 -6.675 3.194 1.00 0.15 H new ATOM 0 HE2 PHE A 171 6.271 -8.077 -0.395 1.00 0.21 H new ATOM 0 HZ PHE A 171 8.108 -8.157 1.184 1.00 0.17 H new ATOM 2687 N ILE A 172 6.831 -1.922 2.557 1.00 0.10 N ATOM 2688 CA ILE A 172 8.166 -1.492 2.110 1.00 0.10 C ATOM 2689 C ILE A 172 9.315 -2.365 2.756 1.00 0.08 C ATOM 2690 O ILE A 172 9.488 -2.457 4.000 1.00 0.08 O ATOM 2691 CB ILE A 172 8.458 0.100 2.147 1.00 0.13 C ATOM 2692 CG1 ILE A 172 9.846 0.342 1.417 1.00 0.14 C ATOM 2693 CG2 ILE A 172 8.383 0.736 3.576 1.00 0.22 C ATOM 2694 CD1 ILE A 172 10.371 1.786 1.203 1.00 0.31 C ATOM 0 H ILE A 172 6.606 -1.697 3.526 1.00 0.10 H new ATOM 0 HA ILE A 172 8.166 -1.695 1.039 1.00 0.10 H new ATOM 0 HB ILE A 172 7.662 0.623 1.618 1.00 0.13 H new ATOM 0 HG12 ILE A 172 10.607 -0.199 1.980 1.00 0.14 H new ATOM 0 HG13 ILE A 172 9.782 -0.128 0.436 1.00 0.14 H new ATOM 0 HG21 ILE A 172 8.591 1.804 3.510 1.00 0.22 H new ATOM 0 HG22 ILE A 172 7.386 0.585 3.989 1.00 0.22 H new ATOM 0 HG23 ILE A 172 9.120 0.262 4.224 1.00 0.22 H new ATOM 0 HD11 ILE A 172 11.331 1.751 0.689 1.00 0.31 H new ATOM 0 HD12 ILE A 172 9.657 2.347 0.601 1.00 0.31 H new ATOM 0 HD13 ILE A 172 10.494 2.275 2.169 1.00 0.31 H new ATOM 2706 N MET A 173 10.088 -2.975 1.851 1.00 0.09 N ATOM 2707 CA MET A 173 11.220 -3.848 2.201 1.00 0.11 C ATOM 2708 C MET A 173 12.552 -3.316 1.596 1.00 0.13 C ATOM 2709 O MET A 173 12.539 -2.390 0.769 1.00 0.21 O ATOM 2710 CB MET A 173 10.919 -5.301 1.752 1.00 0.15 C ATOM 2711 CG MET A 173 10.321 -5.429 0.328 1.00 0.17 C ATOM 2712 SD MET A 173 11.553 -5.300 -0.988 1.00 0.44 S ATOM 2713 CE MET A 173 12.608 -6.702 -0.635 1.00 0.26 C ATOM 0 H MET A 173 9.946 -2.877 0.846 1.00 0.09 H new ATOM 0 HA MET A 173 11.347 -3.845 3.284 1.00 0.11 H new ATOM 0 HB2 MET A 173 11.842 -5.879 1.797 1.00 0.15 H new ATOM 0 HB3 MET A 173 10.227 -5.750 2.464 1.00 0.15 H new ATOM 0 HG2 MET A 173 9.809 -6.388 0.243 1.00 0.17 H new ATOM 0 HG3 MET A 173 9.569 -4.653 0.188 1.00 0.17 H new ATOM 0 HE1 MET A 173 13.111 -7.018 -1.549 1.00 0.26 H new ATOM 0 HE2 MET A 173 13.352 -6.419 0.109 1.00 0.26 H new ATOM 0 HE3 MET A 173 12.004 -7.524 -0.250 1.00 0.26 H new ATOM 2723 N LYS A 174 13.708 -3.896 1.989 1.00 0.12 N ATOM 2724 CA LYS A 174 14.996 -3.367 1.500 1.00 0.19 C ATOM 2725 C LYS A 174 15.957 -4.333 0.750 1.00 0.16 C ATOM 2726 O LYS A 174 15.919 -5.562 0.862 1.00 0.17 O ATOM 2727 CB LYS A 174 15.761 -2.680 2.675 1.00 0.38 C ATOM 2728 CG LYS A 174 16.547 -3.643 3.602 1.00 0.54 C ATOM 2729 CD LYS A 174 17.261 -2.933 4.785 1.00 0.57 C ATOM 2730 CE LYS A 174 18.586 -2.257 4.376 1.00 0.49 C ATOM 2731 NZ LYS A 174 19.553 -3.232 3.798 1.00 1.26 N ATOM 0 H LYS A 174 13.776 -4.697 2.617 1.00 0.12 H new ATOM 0 HA LYS A 174 14.692 -2.668 0.721 1.00 0.19 H new ATOM 0 HB2 LYS A 174 16.458 -1.953 2.258 1.00 0.38 H new ATOM 0 HB3 LYS A 174 15.044 -2.124 3.279 1.00 0.38 H new ATOM 0 HG2 LYS A 174 15.860 -4.390 4.000 1.00 0.54 H new ATOM 0 HG3 LYS A 174 17.290 -4.177 3.009 1.00 0.54 H new ATOM 0 HD2 LYS A 174 16.593 -2.183 5.207 1.00 0.57 H new ATOM 0 HD3 LYS A 174 17.459 -3.661 5.571 1.00 0.57 H new ATOM 0 HE2 LYS A 174 18.383 -1.472 3.648 1.00 0.49 H new ATOM 0 HE3 LYS A 174 19.032 -1.776 5.247 1.00 0.49 H new ATOM 0 HZ1 LYS A 174 20.515 -2.840 3.850 1.00 1.26 H new ATOM 0 HZ2 LYS A 174 19.512 -4.121 4.336 1.00 1.26 H new ATOM 0 HZ3 LYS A 174 19.308 -3.417 2.804 1.00 1.26 H new ATOM 2745 N GLY A 175 16.815 -3.643 -0.009 1.00 0.14 N ATOM 2746 CA GLY A 175 17.958 -4.174 -0.763 1.00 0.15 C ATOM 2747 C GLY A 175 17.841 -4.336 -2.291 1.00 0.13 C ATOM 2748 O GLY A 175 18.742 -3.820 -2.966 1.00 0.17 O ATOM 0 H GLY A 175 16.725 -2.633 -0.121 1.00 0.14 H new ATOM 0 HA2 GLY A 175 18.811 -3.524 -0.566 1.00 0.15 H new ATOM 0 HA3 GLY A 175 18.200 -5.152 -0.347 1.00 0.15 H new ATOM 2752 N THR A 176 16.688 -4.832 -2.853 1.00 0.11 N ATOM 2753 CA THR A 176 16.522 -5.031 -4.346 1.00 0.10 C ATOM 2754 C THR A 176 15.112 -5.536 -4.734 1.00 0.10 C ATOM 2755 O THR A 176 14.400 -6.156 -3.933 1.00 0.13 O ATOM 2756 CB THR A 176 17.535 -6.051 -5.021 1.00 0.12 C ATOM 2757 OG1 THR A 176 18.098 -6.988 -4.080 1.00 0.15 O ATOM 2758 CG2 THR A 176 18.678 -5.356 -5.801 1.00 0.15 C ATOM 0 H THR A 176 15.868 -5.099 -2.308 1.00 0.11 H new ATOM 0 HA THR A 176 16.719 -4.025 -4.718 1.00 0.10 H new ATOM 0 HB THR A 176 16.923 -6.601 -5.736 1.00 0.12 H new ATOM 0 HG1 THR A 176 18.712 -7.592 -4.548 1.00 0.15 H new ATOM 0 HG21 THR A 176 19.333 -6.111 -6.236 1.00 0.15 H new ATOM 0 HG22 THR A 176 18.255 -4.741 -6.595 1.00 0.15 H new ATOM 0 HG23 THR A 176 19.252 -4.726 -5.121 1.00 0.15 H new ATOM 2766 N ALA A 177 14.735 -5.272 -6.028 1.00 0.10 N ATOM 2767 CA ALA A 177 13.441 -5.706 -6.651 1.00 0.11 C ATOM 2768 C ALA A 177 13.404 -7.224 -7.086 1.00 0.15 C ATOM 2769 O ALA A 177 12.327 -7.780 -7.356 1.00 0.17 O ATOM 2770 CB ALA A 177 13.130 -4.779 -7.851 1.00 0.15 C ATOM 0 H ALA A 177 15.328 -4.747 -6.671 1.00 0.10 H new ATOM 0 HA ALA A 177 12.671 -5.618 -5.884 1.00 0.11 H new ATOM 0 HB1 ALA A 177 12.191 -5.084 -8.313 1.00 0.15 H new ATOM 0 HB2 ALA A 177 13.045 -3.749 -7.503 1.00 0.15 H new ATOM 0 HB3 ALA A 177 13.934 -4.850 -8.583 1.00 0.15 H new ATOM 2776 N ASP A 178 14.592 -7.896 -7.125 1.00 0.19 N ATOM 2777 CA ASP A 178 14.717 -9.345 -7.469 1.00 0.24 C ATOM 2778 C ASP A 178 14.572 -10.309 -6.235 1.00 0.26 C ATOM 2779 O ASP A 178 14.713 -11.527 -6.380 1.00 0.31 O ATOM 2780 CB ASP A 178 16.068 -9.602 -8.154 1.00 0.31 C ATOM 2781 CG ASP A 178 15.986 -9.567 -9.677 1.00 0.42 C ATOM 2782 OD1 ASP A 178 16.043 -8.459 -10.250 1.00 0.51 O ATOM 2783 OD2 ASP A 178 15.864 -10.649 -10.291 1.00 0.55 O ATOM 0 H ASP A 178 15.486 -7.450 -6.920 1.00 0.19 H new ATOM 0 HA ASP A 178 13.887 -9.568 -8.140 1.00 0.24 H new ATOM 0 HB2 ASP A 178 16.786 -8.854 -7.818 1.00 0.31 H new ATOM 0 HB3 ASP A 178 16.449 -10.574 -7.839 1.00 0.31 H new ATOM 2788 N ASP A 179 14.282 -9.743 -5.036 1.00 0.24 N ATOM 2789 CA ASP A 179 14.114 -10.516 -3.777 1.00 0.31 C ATOM 2790 C ASP A 179 12.632 -10.625 -3.297 1.00 0.32 C ATOM 2791 O ASP A 179 12.357 -11.339 -2.331 1.00 0.44 O ATOM 2792 CB ASP A 179 14.956 -9.881 -2.661 1.00 0.37 C ATOM 2793 CG ASP A 179 16.338 -10.510 -2.515 1.00 0.48 C ATOM 2794 OD1 ASP A 179 17.273 -10.059 -3.212 1.00 0.52 O ATOM 2795 OD2 ASP A 179 16.483 -11.449 -1.703 1.00 0.60 O ATOM 0 H ASP A 179 14.158 -8.738 -4.914 1.00 0.24 H new ATOM 0 HA ASP A 179 14.451 -11.529 -3.997 1.00 0.31 H new ATOM 0 HB2 ASP A 179 15.069 -8.816 -2.862 1.00 0.37 H new ATOM 0 HB3 ASP A 179 14.421 -9.972 -1.716 1.00 0.37 H new ATOM 2800 N VAL A 180 11.698 -9.893 -3.962 1.00 0.24 N ATOM 2801 CA VAL A 180 10.223 -9.913 -3.640 1.00 0.29 C ATOM 2802 C VAL A 180 9.428 -10.992 -4.477 1.00 0.50 C ATOM 2803 O VAL A 180 8.978 -10.687 -5.587 1.00 0.95 O ATOM 2804 CB VAL A 180 9.457 -8.504 -3.811 1.00 0.27 C ATOM 2805 CG1 VAL A 180 9.216 -7.831 -2.452 1.00 0.48 C ATOM 2806 CG2 VAL A 180 10.131 -7.463 -4.757 1.00 0.50 C ATOM 0 H VAL A 180 11.933 -9.271 -4.735 1.00 0.24 H new ATOM 0 HA VAL A 180 10.224 -10.168 -2.580 1.00 0.29 H new ATOM 0 HB VAL A 180 8.522 -8.793 -4.290 1.00 0.27 H new ATOM 0 HG11 VAL A 180 8.698 -6.884 -2.602 1.00 0.48 H new ATOM 0 HG12 VAL A 180 8.606 -8.483 -1.826 1.00 0.48 H new ATOM 0 HG13 VAL A 180 10.172 -7.648 -1.962 1.00 0.48 H new ATOM 0 HG21 VAL A 180 9.525 -6.557 -4.792 1.00 0.50 H new ATOM 0 HG22 VAL A 180 11.125 -7.220 -4.382 1.00 0.50 H new ATOM 0 HG23 VAL A 180 10.214 -7.883 -5.759 1.00 0.50 H new ATOM 2816 N PRO A 181 9.252 -12.269 -3.969 1.00 0.59 N ATOM 2817 CA PRO A 181 8.491 -13.324 -4.687 1.00 0.75 C ATOM 2818 C PRO A 181 7.010 -13.460 -4.246 1.00 1.31 C ATOM 2819 O PRO A 181 6.678 -13.231 -3.080 1.00 1.80 O ATOM 2820 CB PRO A 181 9.286 -14.584 -4.312 1.00 1.20 C ATOM 2821 CG PRO A 181 9.726 -14.341 -2.884 1.00 1.57 C ATOM 2822 CD PRO A 181 9.842 -12.822 -2.719 1.00 1.05 C ATOM 0 HA PRO A 181 8.412 -13.115 -5.754 1.00 0.75 H new ATOM 0 HB2 PRO A 181 8.671 -15.480 -4.391 1.00 1.20 H new ATOM 0 HB3 PRO A 181 10.141 -14.725 -4.973 1.00 1.20 H new ATOM 0 HG2 PRO A 181 9.004 -14.754 -2.180 1.00 1.57 H new ATOM 0 HG3 PRO A 181 10.681 -14.827 -2.684 1.00 1.57 H new ATOM 0 HD2 PRO A 181 9.303 -12.475 -1.838 1.00 1.05 H new ATOM 0 HD3 PRO A 181 10.880 -12.513 -2.599 1.00 1.05 H new ATOM 2830 N MET A 182 6.141 -13.831 -5.202 1.00 1.54 N ATOM 2831 CA MET A 182 4.703 -14.010 -4.934 1.00 2.26 C ATOM 2832 C MET A 182 4.134 -15.221 -5.700 1.00 2.40 C ATOM 2833 O MET A 182 4.016 -15.203 -6.932 1.00 2.49 O ATOM 2834 CB MET A 182 3.891 -12.718 -5.258 1.00 2.82 C ATOM 2835 CG MET A 182 4.110 -12.123 -6.668 1.00 3.46 C ATOM 2836 SD MET A 182 5.628 -11.152 -6.797 1.00 4.01 S ATOM 2837 CE MET A 182 5.437 -10.413 -8.419 1.00 4.96 C ATOM 0 H MET A 182 6.410 -14.013 -6.169 1.00 1.54 H new ATOM 0 HA MET A 182 4.599 -14.208 -3.867 1.00 2.26 H new ATOM 0 HB2 MET A 182 2.830 -12.938 -5.138 1.00 2.82 H new ATOM 0 HB3 MET A 182 4.144 -11.957 -4.520 1.00 2.82 H new ATOM 0 HG2 MET A 182 4.140 -12.933 -7.397 1.00 3.46 H new ATOM 0 HG3 MET A 182 3.259 -11.493 -6.926 1.00 3.46 H new ATOM 0 HE1 MET A 182 6.301 -9.785 -8.637 1.00 4.96 H new ATOM 0 HE2 MET A 182 5.362 -11.199 -9.170 1.00 4.96 H new ATOM 0 HE3 MET A 182 4.532 -9.805 -8.438 1.00 4.96 H new ATOM 2847 N LEU A 183 3.787 -16.275 -4.942 1.00 2.65 N ATOM 2848 CA LEU A 183 3.227 -17.517 -5.514 1.00 2.86 C ATOM 2849 C LEU A 183 1.998 -18.031 -4.731 1.00 3.61 C ATOM 2850 O LEU A 183 1.713 -17.606 -3.601 1.00 4.00 O ATOM 2851 CB LEU A 183 4.313 -18.640 -5.585 1.00 2.51 C ATOM 2852 CG LEU A 183 5.137 -18.902 -4.285 1.00 2.24 C ATOM 2853 CD1 LEU A 183 5.118 -20.380 -3.891 1.00 2.43 C ATOM 2854 CD2 LEU A 183 6.587 -18.434 -4.435 1.00 2.58 C ATOM 0 H LEU A 183 3.884 -16.294 -3.927 1.00 2.65 H new ATOM 0 HA LEU A 183 2.897 -17.267 -6.522 1.00 2.86 H new ATOM 0 HB2 LEU A 183 3.822 -19.571 -5.870 1.00 2.51 H new ATOM 0 HB3 LEU A 183 5.010 -18.389 -6.385 1.00 2.51 H new ATOM 0 HG LEU A 183 4.659 -18.323 -3.495 1.00 2.24 H new ATOM 0 HD11 LEU A 183 5.702 -20.522 -2.982 1.00 2.43 H new ATOM 0 HD12 LEU A 183 4.090 -20.696 -3.715 1.00 2.43 H new ATOM 0 HD13 LEU A 183 5.548 -20.977 -4.695 1.00 2.43 H new ATOM 0 HD21 LEU A 183 7.131 -18.632 -3.511 1.00 2.58 H new ATOM 0 HD22 LEU A 183 7.060 -18.972 -5.257 1.00 2.58 H new ATOM 0 HD23 LEU A 183 6.604 -17.364 -4.644 1.00 2.58 H new ATOM 2866 N GLN A 184 1.282 -18.973 -5.365 1.00 3.87 N ATOM 2867 CA GLN A 184 0.080 -19.615 -4.793 1.00 4.58 C ATOM 2868 C GLN A 184 0.388 -21.078 -4.348 1.00 4.68 C ATOM 2869 O GLN A 184 1.392 -21.651 -4.800 1.00 4.25 O ATOM 2870 CB GLN A 184 -1.037 -19.610 -5.856 1.00 4.95 C ATOM 2871 CG GLN A 184 -1.668 -18.233 -6.108 1.00 5.32 C ATOM 2872 CD GLN A 184 -2.593 -18.233 -7.311 1.00 5.82 C ATOM 2873 OE1 GLN A 184 -3.788 -18.499 -7.191 1.00 6.06 O ATOM 2874 NE2 GLN A 184 -2.039 -17.933 -8.482 1.00 6.27 N ATOM 0 H GLN A 184 1.520 -19.315 -6.296 1.00 3.87 H new ATOM 0 HA GLN A 184 -0.239 -19.058 -3.912 1.00 4.58 H new ATOM 0 HB2 GLN A 184 -0.630 -19.987 -6.794 1.00 4.95 H new ATOM 0 HB3 GLN A 184 -1.819 -20.303 -5.547 1.00 4.95 H new ATOM 0 HG2 GLN A 184 -2.226 -17.925 -5.224 1.00 5.32 H new ATOM 0 HG3 GLN A 184 -0.879 -17.497 -6.260 1.00 5.32 H new ATOM 0 HE21 GLN A 184 -1.043 -17.719 -8.535 1.00 6.27 H new ATOM 0 HE22 GLN A 184 -2.610 -17.917 -9.327 1.00 6.27 H new ATOM 2883 N PRO A 185 -0.453 -21.739 -3.453 1.00 5.36 N ATOM 2884 CA PRO A 185 -0.205 -23.155 -3.008 1.00 5.62 C ATOM 2885 C PRO A 185 -0.396 -24.213 -4.110 1.00 5.52 C ATOM 2886 O PRO A 185 -1.477 -24.327 -4.701 1.00 5.77 O ATOM 2887 CB PRO A 185 -1.272 -23.413 -1.931 1.00 6.42 C ATOM 2888 CG PRO A 185 -1.772 -22.052 -1.532 1.00 6.59 C ATOM 2889 CD PRO A 185 -1.646 -21.178 -2.768 1.00 5.99 C ATOM 0 HA PRO A 185 0.831 -23.246 -2.680 1.00 5.62 H new ATOM 0 HB2 PRO A 185 -2.082 -24.031 -2.320 1.00 6.42 H new ATOM 0 HB3 PRO A 185 -0.849 -23.942 -1.077 1.00 6.42 H new ATOM 0 HG2 PRO A 185 -2.807 -22.101 -1.193 1.00 6.59 H new ATOM 0 HG3 PRO A 185 -1.185 -21.648 -0.707 1.00 6.59 H new ATOM 0 HD2 PRO A 185 -2.536 -21.235 -3.395 1.00 5.99 H new ATOM 0 HD3 PRO A 185 -1.506 -20.129 -2.508 1.00 5.99 H new ATOM 2897 N HIS A 186 0.673 -24.965 -4.372 1.00 5.25 N ATOM 2898 CA HIS A 186 0.648 -26.011 -5.387 1.00 5.19 C ATOM 2899 C HIS A 186 1.346 -27.313 -4.877 1.00 5.51 C ATOM 2900 O HIS A 186 2.445 -27.240 -4.312 1.00 5.51 O ATOM 2901 CB HIS A 186 1.314 -25.494 -6.693 1.00 4.55 C ATOM 2902 CG HIS A 186 0.948 -26.289 -7.928 1.00 4.63 C ATOM 2903 ND1 HIS A 186 1.293 -27.614 -8.095 1.00 4.77 N ATOM 2904 CD2 HIS A 186 0.202 -25.965 -9.016 1.00 4.82 C ATOM 2905 CE1 HIS A 186 0.773 -28.075 -9.209 1.00 4.89 C ATOM 2906 NE2 HIS A 186 0.108 -27.095 -9.795 1.00 4.96 N ATOM 0 H HIS A 186 1.568 -24.867 -3.893 1.00 5.25 H new ATOM 0 HA HIS A 186 -0.391 -26.264 -5.599 1.00 5.19 H new ATOM 0 HB2 HIS A 186 1.029 -24.453 -6.846 1.00 4.55 H new ATOM 0 HB3 HIS A 186 2.397 -25.513 -6.569 1.00 4.55 H new ATOM 0 HD1 HIS A 186 1.867 -28.156 -7.449 1.00 4.77 H new ATOM 0 HD2 HIS A 186 -0.235 -25.001 -9.229 1.00 4.82 H new ATOM 0 HE1 HIS A 186 0.872 -29.083 -9.583 1.00 4.89 H new ATOM 2915 N PRO A 187 0.731 -28.541 -5.081 1.00 5.90 N ATOM 2916 CA PRO A 187 1.338 -29.849 -4.654 1.00 6.31 C ATOM 2917 C PRO A 187 2.336 -30.455 -5.686 1.00 6.06 C ATOM 2918 O PRO A 187 2.889 -29.736 -6.523 1.00 5.96 O ATOM 2919 CB PRO A 187 0.080 -30.737 -4.565 1.00 6.77 C ATOM 2920 CG PRO A 187 -0.717 -30.285 -5.747 1.00 6.43 C ATOM 2921 CD PRO A 187 -0.635 -28.769 -5.663 1.00 6.09 C ATOM 0 HA PRO A 187 1.931 -29.752 -3.744 1.00 6.31 H new ATOM 0 HB2 PRO A 187 0.326 -31.797 -4.623 1.00 6.77 H new ATOM 0 HB3 PRO A 187 -0.459 -30.585 -3.630 1.00 6.77 H new ATOM 0 HG2 PRO A 187 -0.299 -30.660 -6.681 1.00 6.43 H new ATOM 0 HG3 PRO A 187 -1.748 -30.636 -5.696 1.00 6.43 H new ATOM 0 HD2 PRO A 187 -0.740 -28.303 -6.643 1.00 6.09 H new ATOM 0 HD3 PRO A 187 -1.419 -28.356 -5.028 1.00 6.09 H new ATOM 2929 N GLY A 188 2.553 -31.774 -5.599 1.00 6.19 N ATOM 2930 CA GLY A 188 3.423 -32.451 -6.540 1.00 6.09 C ATOM 2931 C GLY A 188 3.826 -33.848 -6.087 1.00 6.57 C ATOM 2932 O GLY A 188 4.754 -34.003 -5.288 1.00 7.02 O ATOM 0 H GLY A 188 2.138 -32.379 -4.890 1.00 6.19 H new ATOM 0 HA2 GLY A 188 2.920 -32.520 -7.505 1.00 6.09 H new ATOM 0 HA3 GLY A 188 4.321 -31.852 -6.690 1.00 6.09 H new ATOM 2936 N LEU A 189 3.120 -34.868 -6.610 1.00 6.77 N ATOM 2937 CA LEU A 189 3.392 -36.277 -6.271 1.00 7.51 C ATOM 2938 C LEU A 189 3.797 -37.091 -7.518 1.00 7.90 C ATOM 2939 O LEU A 189 2.996 -37.284 -8.440 1.00 7.97 O ATOM 2940 CB LEU A 189 2.150 -36.907 -5.597 1.00 7.96 C ATOM 2941 CG LEU A 189 2.382 -38.214 -4.780 1.00 8.35 C ATOM 2942 CD1 LEU A 189 2.796 -37.918 -3.335 1.00 8.85 C ATOM 2943 CD2 LEU A 189 1.135 -39.097 -4.787 1.00 8.99 C ATOM 0 H LEU A 189 2.354 -34.741 -7.272 1.00 6.77 H new ATOM 0 HA LEU A 189 4.230 -36.301 -5.575 1.00 7.51 H new ATOM 0 HB2 LEU A 189 1.711 -36.164 -4.932 1.00 7.96 H new ATOM 0 HB3 LEU A 189 1.413 -37.117 -6.372 1.00 7.96 H new ATOM 0 HG LEU A 189 3.198 -38.747 -5.267 1.00 8.35 H new ATOM 0 HD11 LEU A 189 2.948 -38.856 -2.801 1.00 8.85 H new ATOM 0 HD12 LEU A 189 3.723 -37.345 -3.332 1.00 8.85 H new ATOM 0 HD13 LEU A 189 2.012 -37.342 -2.843 1.00 8.85 H new ATOM 0 HD21 LEU A 189 1.326 -40.001 -4.209 1.00 8.99 H new ATOM 0 HD22 LEU A 189 0.301 -38.553 -4.343 1.00 8.99 H new ATOM 0 HD23 LEU A 189 0.887 -39.368 -5.813 1.00 8.99 H new ATOM 2955 N GLU A 190 5.054 -37.571 -7.519 1.00 8.45 N ATOM 2956 CA GLU A 190 5.600 -38.364 -8.632 1.00 9.15 C ATOM 2957 C GLU A 190 6.280 -39.641 -8.118 1.00 10.12 C ATOM 2958 O GLU A 190 7.476 -39.573 -7.765 1.00 10.56 O ATOM 2959 CB GLU A 190 6.615 -37.533 -9.445 1.00 9.15 C ATOM 2960 CG GLU A 190 5.997 -36.401 -10.278 1.00 8.88 C ATOM 2961 CD GLU A 190 7.048 -35.556 -10.973 1.00 9.20 C ATOM 2962 OE1 GLU A 190 7.440 -35.907 -12.106 1.00 9.58 O ATOM 2963 OE2 GLU A 190 7.480 -34.541 -10.385 1.00 9.27 O ATOM 2964 OXT GLU A 190 5.606 -40.692 -8.075 1.00 10.60 O ATOM 0 H GLU A 190 5.713 -37.421 -6.755 1.00 8.45 H new ATOM 0 HA GLU A 190 4.767 -38.644 -9.276 1.00 9.15 H new ATOM 0 HB2 GLU A 190 7.345 -37.104 -8.759 1.00 9.15 H new ATOM 0 HB3 GLU A 190 7.159 -38.201 -10.112 1.00 9.15 H new ATOM 0 HG2 GLU A 190 5.325 -36.827 -11.024 1.00 8.88 H new ATOM 0 HG3 GLU A 190 5.393 -35.765 -9.631 1.00 8.88 H new TER 2971 GLU A 190 HETATM 2972 C1 GLC A 191 -18.084 5.614 2.737 1.00 1.34 C HETATM 2973 C2 GLC A 191 -16.823 5.392 1.809 1.00 1.55 C HETATM 2974 C3 GLC A 191 -16.669 3.842 1.460 1.00 1.62 C HETATM 2975 C4 GLC A 191 -16.739 2.903 2.748 1.00 1.59 C HETATM 2976 C5 GLC A 191 -18.055 3.225 3.585 1.00 1.39 C HETATM 2977 C6 GLC A 191 -18.150 2.516 4.970 1.00 1.49 C HETATM 2978 O2 GLC A 191 -17.002 6.089 0.574 1.00 1.64 O HETATM 2979 O3 GLC A 191 -15.410 3.647 0.821 1.00 1.88 O HETATM 2980 O4 GLC A 191 -16.726 1.530 2.338 1.00 1.73 O HETATM 2981 O5 GLC A 191 -17.973 4.683 3.890 1.00 1.36 O HETATM 2982 O6 GLC A 191 -18.665 3.306 6.034 1.00 1.50 O HETATM 0 HO6 GLC A 191 -18.638 4.252 5.781 1.00 1.50 H new HETATM 0 HO4 GLC A 191 -15.881 1.115 2.611 1.00 1.73 H new HETATM 0 HO3 GLC A 191 -14.926 4.498 0.786 1.00 1.88 H new HETATM 0 HO2 GLC A 191 -16.269 6.727 0.449 1.00 1.64 H new HETATM 0 H62 GLC A 191 -18.778 1.631 4.862 1.00 1.49 H new HETATM 0 H61 GLC A 191 -17.155 2.169 5.249 1.00 1.49 H new HETATM 0 H5 GLC A 191 -18.909 2.892 2.995 1.00 1.39 H new HETATM 0 H4 GLC A 191 -15.873 3.090 3.383 1.00 1.59 H new HETATM 0 H3 GLC A 191 -17.502 3.567 0.813 1.00 1.62 H new HETATM 0 H2 GLC A 191 -15.943 5.758 2.337 1.00 1.55 H new HETATM 2994 C2 BGC A 192 -22.069 8.122 1.238 1.00 1.56 C HETATM 2995 C3 BGC A 192 -20.813 7.177 1.023 1.00 1.44 C HETATM 2996 C4 BGC A 192 -20.449 6.326 2.328 1.00 1.26 C HETATM 2997 C5 BGC A 192 -21.753 5.521 2.794 1.00 1.30 C HETATM 2998 C6 BGC A 192 -21.598 4.739 4.133 1.00 1.26 C HETATM 2999 C1 BGC A 192 -23.238 7.291 1.856 1.00 1.63 C HETATM 3000 O1 BGC A 192 -24.285 8.113 2.258 1.00 1.86 O HETATM 3001 O2 BGC A 192 -22.482 8.682 -0.009 1.00 1.78 O HETATM 3002 O3 BGC A 192 -19.692 7.980 0.664 1.00 1.54 O HETATM 3003 O4 BGC A 192 -19.328 5.402 2.031 1.00 1.27 O HETATM 3004 O5 BGC A 192 -22.779 6.567 3.062 1.00 1.47 O HETATM 3005 O6 BGC A 192 -22.700 4.816 5.029 1.00 1.46 O HETATM 0 H6C2 BGC A 192 -21.417 3.690 3.900 1.00 1.26 H new HETATM 0 H6C1 BGC A 192 -20.711 5.109 4.647 1.00 1.26 H new HETATM 0 HC BGC A 192 -18.886 7.423 0.637 1.00 1.54 H new HETATM 0 HB BGC A 192 -23.259 9.262 0.134 1.00 1.78 H new HETATM 0 HA BGC A 192 -25.003 7.566 2.640 1.00 1.86 H new HETATM 0 H6 BGC A 192 -23.306 5.531 4.742 1.00 1.46 H new HETATM 0 H5 BGC A 192 -21.986 4.792 2.018 1.00 1.30 H new HETATM 0 H4 BGC A 192 -20.131 6.987 3.135 1.00 1.26 H new HETATM 0 H3 BGC A 192 -21.064 6.469 0.234 1.00 1.44 H new HETATM 0 H2 BGC A 192 -21.798 8.933 1.914 1.00 1.56 H new HETATM 0 H1 BGC A 192 -23.572 6.599 1.083 1.00 1.63 H new