USER MOD reduce.3.24.130724 H: found=0, std=0, add=1460, rem=0, adj=57 USER MOD reduce.3.24.130724 removed 1460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 MET CE :methyl -163:sc= -0.749 (180deg=-1.63) USER MOD Set 1.2: A 179 SER OG : rot 18:sc= 0.333 USER MOD Set 2.1: A 173 THR OG1 : rot -169:sc= 0.013 USER MOD Set 2.2: A 178 SER OG : rot -38:sc= 0.0981 USER MOD Set 3.1: A 169 HIS : no HD1:sc= -3.89 K(o=-7.1,f=-12!) USER MOD Set 3.2: A 170 GLN :FLIP amide:sc= -3.23 F(o=-8.3,f=-7.1) USER MOD Set 4.1: A 89 HIS : no HE2:sc= 0.0451 K(o=0.087,f=-0.46) USER MOD Set 4.2: A 90 HIS : no HD1:sc= 0.0421 X(o=0.087,f=0) USER MOD Set 5.1: A 54 ASN :FLIP amide:sc= 0.235 F(o=-6.1!,f=-1.4) USER MOD Set 5.2: A 57 GLN :FLIP amide:sc= -1.64 F(o=-3.1!,f=-1.4) USER MOD Set 6.1: A 52 SER OG : rot 169:sc= -2.19! USER MOD Set 6.2: A 58 SER OG : rot 54:sc= 0.847 USER MOD Set 6.3: A 59 LYS NZ :NH3+ 179:sc= -5.98! (180deg=-6.54!) USER MOD Set 7.1: A 39 TYR OH : rot -158:sc= 0.27 USER MOD Set 7.2: A 83 LYS NZ :NH3+ -112:sc= -0.393 (180deg=-3.44!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= -0.0275 (180deg=-0.849) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 4 THR OG1 : rot -60:sc= 0.895 USER MOD Single : A 7 HIS : no HD1:sc= -0.0083 X(o=-0.0083,f=-0.0083) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.178 F(o=-2.2!,f=-0.18) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= -0.0843 (180deg=-0.371) USER MOD Single : A 18 MET CE :methyl 171:sc= -0.854 (180deg=-0.933) USER MOD Single : A 22 GLN : amide:sc= -0.0674 X(o=-0.067,f=-0.48) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= -0.02 (180deg=-0.254) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.614 K(o=-0.61,f=-4.6!) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 61 CYS SG : rot 180:sc= -0.0329 USER MOD Single : A 62 CYS SG : rot 150:sc= -0.902 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 37:sc= 0.713 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0634 K(o=-0.063,f=-0.98) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.949 F(o=-1.5,f=-0.95) USER MOD Single : A 81 ASN : amide:sc= -2.54! C(o=-2.5!,f=-10!) USER MOD Single : A 82 MET CE :methyl -156:sc= -0.151 (180deg=-0.774) USER MOD Single : A 88 MET CE :methyl -158:sc= -0.141 (180deg=-0.837) USER MOD Single : A 93 GLN :FLIP amide:sc= -8.87! C(o=-11!,f=-8.9!) USER MOD Single : A 94 MET CE :methyl 174:sc= -0.601 (180deg=-0.726) USER MOD Single : A 95 LYS NZ :NH3+ -173:sc= -0.57 (180deg=-0.861) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -166:sc= -0.295 (180deg=-0.947!) USER MOD Single : A 102 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 103 ASN : amide:sc= -4.65! C(o=-4.6!,f=-9.4!) USER MOD Single : A 109 LYS NZ :NH3+ -178:sc= -3.34 (180deg=-3.43) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -134:sc= 0.531 (180deg=-0.0348) USER MOD Single : A 118 LYS NZ :NH3+ 156:sc= -0.103 (180deg=-0.624) USER MOD Single : A 119 CYS SG : rot 99:sc= -0.187 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.0582 K(o=-0.058,f=-1.8) USER MOD Single : A 127 MET CE :methyl -153:sc= -0.877 (180deg=-1.53) USER MOD Single : A 129 SER OG : rot -91:sc= 1.17 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.62) USER MOD Single : A 137 CYS SG : rot 40:sc= -4.34! USER MOD Single : A 147 SER OG : rot 180:sc= -0.189 USER MOD Single : A 150 CYS SG : rot -36:sc= -1.99! USER MOD Single : A 154 THR OG1 : rot -120:sc= 0.433 USER MOD Single : A 156 THR OG1 : rot 180:sc= -0.0225 USER MOD Single : A 157 THR OG1 : rot 137:sc= 0.345 USER MOD Single : A 160 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 162 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 163 THR OG1 : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 MET CE :methyl -157:sc= -0.458 (180deg=-1.2) USER MOD Single : A 172 GLN : amide:sc= -1.18 K(o=-1.2,f=-4.1!) USER MOD Single : A 174 MET CE :methyl 159:sc= -0.117 (180deg=-0.626) USER MOD Single : A 177 CYS SG : rot 180:sc= -1.7! USER MOD Single : A 181 MET CE :methyl -156:sc= -0.215 (180deg=-0.933) USER MOD Single : A 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.065 0.187 24.677 1.00 23.45 N ATOM 2 CA MET A 1 32.382 1.331 25.568 1.00 23.52 C ATOM 3 C MET A 1 32.524 2.622 24.768 1.00 22.98 C ATOM 4 O MET A 1 32.234 2.657 23.571 1.00 22.59 O ATOM 5 CB MET A 1 33.674 1.057 26.341 1.00 23.59 C ATOM 6 CG MET A 1 33.612 -0.188 27.212 1.00 24.22 C ATOM 7 SD MET A 1 35.135 -0.466 28.135 1.00 24.41 S ATOM 8 CE MET A 1 34.721 -1.955 29.039 1.00 24.75 C ATOM 0 H1 MET A 1 31.206 -0.290 25.017 1.00 23.45 H new ATOM 0 H2 MET A 1 31.908 0.534 23.709 1.00 23.45 H new ATOM 0 H3 MET A 1 32.858 -0.485 24.680 1.00 23.45 H new ATOM 0 HA MET A 1 31.559 1.449 26.273 1.00 23.52 H new ATOM 0 HB2 MET A 1 34.496 0.954 25.633 1.00 23.59 H new ATOM 0 HB3 MET A 1 33.901 1.918 26.969 1.00 23.59 H new ATOM 0 HG2 MET A 1 32.780 -0.097 27.910 1.00 24.22 H new ATOM 0 HG3 MET A 1 33.408 -1.056 26.585 1.00 24.22 H new ATOM 0 HE1 MET A 1 35.568 -2.252 29.658 1.00 24.75 H new ATOM 0 HE2 MET A 1 33.856 -1.766 29.675 1.00 24.75 H new ATOM 0 HE3 MET A 1 34.487 -2.754 28.336 1.00 24.75 H new ATOM 20 N ASN A 2 32.973 3.681 25.437 1.00 23.05 N ATOM 21 CA ASN A 2 33.154 4.975 24.790 1.00 22.69 C ATOM 22 C ASN A 2 34.156 4.882 23.642 1.00 21.83 C ATOM 23 O ASN A 2 33.800 5.081 22.481 1.00 21.22 O ATOM 24 CB ASN A 2 33.623 6.016 25.808 1.00 23.25 C ATOM 25 CG ASN A 2 33.795 7.392 25.194 1.00 23.07 C ATOM 26 OD1 ASN A 2 33.096 7.753 24.247 1.00 22.66 O ATOM 27 ND2 ASN A 2 34.731 8.166 25.729 1.00 23.44 N ATOM 0 H ASN A 2 33.218 3.667 26.427 1.00 23.05 H new ATOM 0 HA ASN A 2 32.192 5.282 24.380 1.00 22.69 H new ATOM 0 HB2 ASN A 2 32.902 6.073 26.623 1.00 23.25 H new ATOM 0 HB3 ASN A 2 34.570 5.694 26.242 1.00 23.25 H new ATOM 0 HD21 ASN A 2 34.894 9.101 25.356 1.00 23.44 H new ATOM 0 HD22 ASN A 2 35.287 7.826 26.513 1.00 23.44 H new ATOM 34 N GLY A 3 35.408 4.581 23.976 1.00 21.87 N ATOM 35 CA GLY A 3 36.438 4.471 22.959 1.00 21.20 C ATOM 36 C GLY A 3 37.649 3.688 23.431 1.00 20.67 C ATOM 37 O GLY A 3 38.767 4.204 23.429 1.00 20.74 O ATOM 0 H GLY A 3 35.727 4.412 24.930 1.00 21.87 H new ATOM 0 HA2 GLY A 3 36.020 3.988 22.076 1.00 21.20 H new ATOM 0 HA3 GLY A 3 36.752 5.470 22.657 1.00 21.20 H new ATOM 41 N THR A 4 37.427 2.442 23.835 1.00 20.24 N ATOM 42 CA THR A 4 38.508 1.585 24.308 1.00 19.79 C ATOM 43 C THR A 4 38.068 0.128 24.365 1.00 19.54 C ATOM 44 O THR A 4 38.094 -0.509 25.418 1.00 19.89 O ATOM 45 CB THR A 4 39.019 2.032 25.690 1.00 20.10 C ATOM 46 OG1 THR A 4 39.962 1.082 26.201 1.00 20.09 O ATOM 47 CG2 THR A 4 37.865 2.191 26.667 1.00 20.45 C ATOM 0 H THR A 4 36.507 2.002 23.844 1.00 20.24 H new ATOM 0 HA THR A 4 39.326 1.677 23.593 1.00 19.79 H new ATOM 0 HB THR A 4 39.511 2.998 25.574 1.00 20.10 H new ATOM 0 HG1 THR A 4 39.531 0.206 26.286 1.00 20.09 H new ATOM 0 HG21 THR A 4 38.250 2.507 27.636 1.00 20.45 H new ATOM 0 HG22 THR A 4 37.170 2.941 26.290 1.00 20.45 H new ATOM 0 HG23 THR A 4 37.346 1.238 26.776 1.00 20.45 H new ATOM 55 N LEU A 5 37.664 -0.390 23.213 1.00 19.03 N ATOM 56 CA LEU A 5 37.228 -1.771 23.104 1.00 18.86 C ATOM 57 C LEU A 5 38.436 -2.694 23.114 1.00 19.00 C ATOM 58 O LEU A 5 38.301 -3.912 23.244 1.00 19.08 O ATOM 59 CB LEU A 5 36.438 -1.976 21.813 1.00 18.40 C ATOM 60 CG LEU A 5 35.468 -0.850 21.462 1.00 18.36 C ATOM 61 CD1 LEU A 5 35.240 -0.799 19.961 1.00 18.24 C ATOM 62 CD2 LEU A 5 34.150 -1.035 22.198 1.00 18.37 C ATOM 0 H LEU A 5 37.630 0.131 22.337 1.00 19.03 H new ATOM 0 HA LEU A 5 36.586 -2.004 23.953 1.00 18.86 H new ATOM 0 HB2 LEU A 5 37.142 -2.098 20.990 1.00 18.40 H new ATOM 0 HB3 LEU A 5 35.876 -2.907 21.893 1.00 18.40 H new ATOM 0 HG LEU A 5 35.906 0.097 21.777 1.00 18.36 H new ATOM 0 HD11 LEU A 5 34.547 0.008 19.726 1.00 18.24 H new ATOM 0 HD12 LEU A 5 36.189 -0.622 19.455 1.00 18.24 H new ATOM 0 HD13 LEU A 5 34.821 -1.747 19.624 1.00 18.24 H new ATOM 0 HD21 LEU A 5 33.470 -0.224 21.937 1.00 18.37 H new ATOM 0 HD22 LEU A 5 33.705 -1.988 21.913 1.00 18.37 H new ATOM 0 HD23 LEU A 5 34.329 -1.026 23.273 1.00 18.37 H new ATOM 74 N ASP A 6 39.615 -2.089 22.973 1.00 19.17 N ATOM 75 CA ASP A 6 40.879 -2.819 22.951 1.00 19.48 C ATOM 76 C ASP A 6 41.014 -3.691 21.700 1.00 19.17 C ATOM 77 O ASP A 6 42.121 -4.081 21.323 1.00 19.54 O ATOM 78 CB ASP A 6 41.015 -3.670 24.206 1.00 19.78 C ATOM 79 CG ASP A 6 41.359 -2.844 25.431 1.00 20.15 C ATOM 80 OD1 ASP A 6 42.558 -2.576 25.650 1.00 20.68 O ATOM 81 OD2 ASP A 6 40.427 -2.467 26.172 1.00 19.98 O ATOM 0 H ASP A 6 39.719 -1.079 22.871 1.00 19.17 H new ATOM 0 HA ASP A 6 41.684 -2.084 22.925 1.00 19.48 H new ATOM 0 HB2 ASP A 6 40.081 -4.204 24.382 1.00 19.78 H new ATOM 0 HB3 ASP A 6 41.788 -4.422 24.050 1.00 19.78 H new ATOM 86 N HIS A 7 39.889 -3.996 21.062 1.00 18.57 N ATOM 87 CA HIS A 7 39.883 -4.815 19.855 1.00 18.29 C ATOM 88 C HIS A 7 38.948 -4.218 18.808 1.00 17.53 C ATOM 89 O HIS A 7 37.926 -4.813 18.465 1.00 17.32 O ATOM 90 CB HIS A 7 39.462 -6.248 20.183 1.00 18.69 C ATOM 91 CG HIS A 7 40.383 -6.940 21.138 1.00 19.51 C ATOM 92 ND1 HIS A 7 41.460 -7.701 20.730 1.00 20.01 N ATOM 93 CD2 HIS A 7 40.386 -6.984 22.492 1.00 20.02 C ATOM 94 CE1 HIS A 7 42.082 -8.183 21.791 1.00 20.77 C ATOM 95 NE2 HIS A 7 41.451 -7.761 22.871 1.00 20.78 N ATOM 0 H HIS A 7 38.965 -3.686 21.363 1.00 18.57 H new ATOM 0 HA HIS A 7 40.894 -4.833 19.448 1.00 18.29 H new ATOM 0 HB2 HIS A 7 38.457 -6.235 20.606 1.00 18.69 H new ATOM 0 HB3 HIS A 7 39.412 -6.823 19.259 1.00 18.69 H new ATOM 0 HD2 HIS A 7 39.681 -6.498 23.150 1.00 20.02 H new ATOM 0 HE1 HIS A 7 42.958 -8.815 21.777 1.00 20.77 H new ATOM 0 HE2 HIS A 7 41.713 -7.978 23.833 1.00 20.78 H new ATOM 104 N PRO A 8 39.291 -3.028 18.286 1.00 17.24 N ATOM 105 CA PRO A 8 38.479 -2.352 17.277 1.00 16.62 C ATOM 106 C PRO A 8 38.629 -2.990 15.907 1.00 16.32 C ATOM 107 O PRO A 8 37.653 -3.130 15.169 1.00 16.10 O ATOM 108 CB PRO A 8 39.037 -0.929 17.273 1.00 16.70 C ATOM 109 CG PRO A 8 40.460 -1.082 17.686 1.00 17.24 C ATOM 110 CD PRO A 8 40.498 -2.251 18.634 1.00 17.61 C ATOM 0 HA PRO A 8 37.413 -2.402 17.501 1.00 16.62 H new ATOM 0 HB2 PRO A 8 38.958 -0.475 16.285 1.00 16.70 H new ATOM 0 HB3 PRO A 8 38.491 -0.287 17.964 1.00 16.70 H new ATOM 0 HG2 PRO A 8 41.099 -1.261 16.821 1.00 17.24 H new ATOM 0 HG3 PRO A 8 40.825 -0.176 18.170 1.00 17.24 H new ATOM 0 HD2 PRO A 8 41.405 -2.842 18.504 1.00 17.61 H new ATOM 0 HD3 PRO A 8 40.477 -1.924 19.673 1.00 17.61 H new ATOM 118 N ASP A 9 39.864 -3.377 15.592 1.00 16.45 N ATOM 119 CA ASP A 9 40.202 -4.015 14.318 1.00 16.33 C ATOM 120 C ASP A 9 40.204 -3.000 13.182 1.00 15.32 C ATOM 121 O ASP A 9 41.125 -2.971 12.364 1.00 15.25 O ATOM 122 CB ASP A 9 39.226 -5.150 14.008 1.00 16.84 C ATOM 123 CG ASP A 9 39.490 -5.793 12.660 1.00 17.14 C ATOM 124 OD1 ASP A 9 38.978 -5.277 11.644 1.00 17.31 O ATOM 125 OD2 ASP A 9 40.209 -6.814 12.620 1.00 17.28 O ATOM 0 H ASP A 9 40.663 -3.257 16.215 1.00 16.45 H new ATOM 0 HA ASP A 9 41.206 -4.431 14.409 1.00 16.33 H new ATOM 0 HB2 ASP A 9 39.296 -5.908 14.788 1.00 16.84 H new ATOM 0 HB3 ASP A 9 38.207 -4.764 14.029 1.00 16.84 H new ATOM 130 N GLN A 10 39.169 -2.168 13.142 1.00 14.64 N ATOM 131 CA GLN A 10 39.042 -1.136 12.119 1.00 13.72 C ATOM 132 C GLN A 10 39.210 -1.720 10.718 1.00 13.15 C ATOM 133 O GLN A 10 40.217 -1.470 10.053 1.00 12.93 O ATOM 134 CB GLN A 10 40.082 -0.045 12.348 1.00 13.53 C ATOM 135 CG GLN A 10 40.407 0.184 13.814 1.00 14.16 C ATOM 136 CD GLN A 10 41.756 0.845 14.008 1.00 14.37 C ATOM 137 OE1 GLN A 10 42.681 0.576 13.091 1.00 15.03 O flip ATOM 138 NE2 GLN A 10 41.966 1.586 14.968 1.00 13.92 N flip ATOM 0 H GLN A 10 38.400 -2.189 13.812 1.00 14.64 H new ATOM 0 HA GLN A 10 38.041 -0.710 12.194 1.00 13.72 H new ATOM 0 HB2 GLN A 10 40.997 -0.309 11.818 1.00 13.53 H new ATOM 0 HB3 GLN A 10 39.721 0.887 11.914 1.00 13.53 H new ATOM 0 HG2 GLN A 10 39.632 0.806 14.263 1.00 14.16 H new ATOM 0 HG3 GLN A 10 40.394 -0.771 14.340 1.00 14.16 H new ATOM 0 HE21 GLN A 10 41.226 1.763 15.647 1.00 13.92 H new ATOM 0 HE22 GLN A 10 42.880 2.023 15.085 1.00 13.92 H new ATOM 147 N PRO A 11 38.230 -2.507 10.245 1.00 13.08 N ATOM 148 CA PRO A 11 38.290 -3.106 8.913 1.00 12.76 C ATOM 149 C PRO A 11 38.148 -2.058 7.818 1.00 12.12 C ATOM 150 O PRO A 11 37.071 -1.493 7.626 1.00 12.51 O ATOM 151 CB PRO A 11 37.103 -4.071 8.897 1.00 13.25 C ATOM 152 CG PRO A 11 36.149 -3.516 9.897 1.00 13.64 C ATOM 153 CD PRO A 11 36.992 -2.871 10.963 1.00 13.53 C ATOM 0 HA PRO A 11 39.245 -3.596 8.723 1.00 12.76 H new ATOM 0 HB2 PRO A 11 36.651 -4.126 7.907 1.00 13.25 H new ATOM 0 HB3 PRO A 11 37.411 -5.082 9.163 1.00 13.25 H new ATOM 0 HG2 PRO A 11 35.480 -2.789 9.436 1.00 13.64 H new ATOM 0 HG3 PRO A 11 35.523 -4.303 10.318 1.00 13.64 H new ATOM 0 HD2 PRO A 11 36.502 -1.995 11.388 1.00 13.53 H new ATOM 0 HD3 PRO A 11 37.192 -3.556 11.787 1.00 13.53 H new ATOM 161 N ASP A 12 39.244 -1.796 7.111 1.00 11.29 N ATOM 162 CA ASP A 12 39.244 -0.806 6.041 1.00 10.79 C ATOM 163 C ASP A 12 38.108 -1.057 5.057 1.00 10.38 C ATOM 164 O ASP A 12 37.613 -2.177 4.932 1.00 10.71 O ATOM 165 CB ASP A 12 40.579 -0.815 5.301 1.00 11.15 C ATOM 166 CG ASP A 12 40.914 -2.178 4.727 1.00 11.29 C ATOM 167 OD1 ASP A 12 40.383 -2.515 3.648 1.00 11.33 O ATOM 168 OD2 ASP A 12 41.710 -2.909 5.356 1.00 11.52 O ATOM 0 H ASP A 12 40.142 -2.256 7.261 1.00 11.29 H new ATOM 0 HA ASP A 12 39.095 0.173 6.498 1.00 10.79 H new ATOM 0 HB2 ASP A 12 40.549 -0.082 4.495 1.00 11.15 H new ATOM 0 HB3 ASP A 12 41.371 -0.507 5.983 1.00 11.15 H new ATOM 173 N LEU A 13 37.706 -0.003 4.359 1.00 9.86 N ATOM 174 CA LEU A 13 36.626 -0.090 3.388 1.00 9.61 C ATOM 175 C LEU A 13 37.168 -0.362 1.990 1.00 8.86 C ATOM 176 O LEU A 13 36.422 -0.331 1.011 1.00 8.64 O ATOM 177 CB LEU A 13 35.820 1.206 3.380 1.00 9.76 C ATOM 178 CG LEU A 13 35.450 1.756 4.758 1.00 10.45 C ATOM 179 CD1 LEU A 13 36.617 2.522 5.363 1.00 10.67 C ATOM 180 CD2 LEU A 13 34.229 2.648 4.657 1.00 11.11 C ATOM 0 H LEU A 13 38.115 0.927 4.449 1.00 9.86 H new ATOM 0 HA LEU A 13 35.980 -0.919 3.678 1.00 9.61 H new ATOM 0 HB2 LEU A 13 36.390 1.966 2.845 1.00 9.76 H new ATOM 0 HB3 LEU A 13 34.903 1.040 2.815 1.00 9.76 H new ATOM 0 HG LEU A 13 35.217 0.916 5.412 1.00 10.45 H new ATOM 0 HD11 LEU A 13 36.332 2.905 6.343 1.00 10.67 H new ATOM 0 HD12 LEU A 13 37.474 1.856 5.468 1.00 10.67 H new ATOM 0 HD13 LEU A 13 36.882 3.355 4.712 1.00 10.67 H new ATOM 0 HD21 LEU A 13 33.977 3.033 5.645 1.00 11.11 H new ATOM 0 HD22 LEU A 13 34.441 3.481 3.987 1.00 11.11 H new ATOM 0 HD23 LEU A 13 33.390 2.073 4.266 1.00 11.11 H new ATOM 192 N ASP A 14 38.471 -0.625 1.901 1.00 8.68 N ATOM 193 CA ASP A 14 39.104 -0.907 0.616 1.00 8.23 C ATOM 194 C ASP A 14 38.426 -2.092 -0.062 1.00 7.17 C ATOM 195 O ASP A 14 38.580 -2.308 -1.264 1.00 6.98 O ATOM 196 CB ASP A 14 40.596 -1.194 0.810 1.00 9.02 C ATOM 197 CG ASP A 14 41.305 -1.480 -0.500 1.00 9.69 C ATOM 198 OD1 ASP A 14 41.748 -0.515 -1.158 1.00 9.93 O ATOM 199 OD2 ASP A 14 41.420 -2.668 -0.865 1.00 10.16 O ATOM 0 H ASP A 14 39.105 -0.648 2.700 1.00 8.68 H new ATOM 0 HA ASP A 14 38.995 -0.030 -0.023 1.00 8.23 H new ATOM 0 HB2 ASP A 14 41.067 -0.340 1.296 1.00 9.02 H new ATOM 0 HB3 ASP A 14 40.715 -2.047 1.478 1.00 9.02 H new ATOM 204 N ALA A 15 37.670 -2.854 0.723 1.00 6.71 N ATOM 205 CA ALA A 15 36.955 -4.014 0.211 1.00 5.87 C ATOM 206 C ALA A 15 35.581 -3.618 -0.326 1.00 5.33 C ATOM 207 O ALA A 15 35.456 -3.201 -1.478 1.00 5.56 O ATOM 208 CB ALA A 15 36.821 -5.067 1.301 1.00 6.04 C ATOM 0 H ALA A 15 37.538 -2.686 1.720 1.00 6.71 H new ATOM 0 HA ALA A 15 37.528 -4.434 -0.616 1.00 5.87 H new ATOM 0 HB1 ALA A 15 36.285 -5.931 0.908 1.00 6.04 H new ATOM 0 HB2 ALA A 15 37.812 -5.375 1.633 1.00 6.04 H new ATOM 0 HB3 ALA A 15 36.270 -4.650 2.144 1.00 6.04 H new ATOM 214 N ILE A 16 34.557 -3.743 0.517 1.00 4.74 N ATOM 215 CA ILE A 16 33.195 -3.388 0.128 1.00 4.26 C ATOM 216 C ILE A 16 32.231 -3.533 1.303 1.00 3.73 C ATOM 217 O ILE A 16 32.418 -4.389 2.176 1.00 3.57 O ATOM 218 CB ILE A 16 32.697 -4.239 -1.066 1.00 4.00 C ATOM 219 CG1 ILE A 16 32.262 -3.321 -2.216 1.00 4.44 C ATOM 220 CG2 ILE A 16 31.555 -5.164 -0.654 1.00 3.10 C ATOM 221 CD1 ILE A 16 31.107 -2.404 -1.864 1.00 4.12 C ATOM 0 H ILE A 16 34.646 -4.087 1.473 1.00 4.74 H new ATOM 0 HA ILE A 16 33.219 -2.344 -0.184 1.00 4.26 H new ATOM 0 HB ILE A 16 33.521 -4.868 -1.404 1.00 4.00 H new ATOM 0 HG12 ILE A 16 33.113 -2.715 -2.526 1.00 4.44 H new ATOM 0 HG13 ILE A 16 31.979 -3.935 -3.071 1.00 4.44 H new ATOM 0 HG21 ILE A 16 31.230 -5.747 -1.516 1.00 3.10 H new ATOM 0 HG22 ILE A 16 31.898 -5.838 0.131 1.00 3.10 H new ATOM 0 HG23 ILE A 16 30.721 -4.569 -0.283 1.00 3.10 H new ATOM 0 HD11 ILE A 16 30.857 -1.786 -2.727 1.00 4.12 H new ATOM 0 HD12 ILE A 16 30.240 -3.002 -1.582 1.00 4.12 H new ATOM 0 HD13 ILE A 16 31.392 -1.763 -1.030 1.00 4.12 H new ATOM 233 N LYS A 17 31.181 -2.715 1.288 1.00 3.63 N ATOM 234 CA LYS A 17 30.183 -2.727 2.348 1.00 3.33 C ATOM 235 C LYS A 17 28.784 -2.973 1.790 1.00 2.84 C ATOM 236 O LYS A 17 28.339 -2.305 0.855 1.00 3.10 O ATOM 237 CB LYS A 17 30.216 -1.405 3.116 1.00 3.97 C ATOM 238 CG LYS A 17 29.198 -1.326 4.241 1.00 4.67 C ATOM 239 CD LYS A 17 29.471 -0.144 5.156 1.00 5.07 C ATOM 240 CE LYS A 17 28.448 -0.060 6.279 1.00 5.85 C ATOM 241 NZ LYS A 17 28.373 -1.326 7.058 1.00 6.09 N ATOM 0 H LYS A 17 31.001 -2.034 0.550 1.00 3.63 H new ATOM 0 HA LYS A 17 30.424 -3.544 3.028 1.00 3.33 H new ATOM 0 HB2 LYS A 17 31.214 -1.261 3.530 1.00 3.97 H new ATOM 0 HB3 LYS A 17 30.038 -0.586 2.419 1.00 3.97 H new ATOM 0 HG2 LYS A 17 28.196 -1.239 3.821 1.00 4.67 H new ATOM 0 HG3 LYS A 17 29.222 -2.249 4.820 1.00 4.67 H new ATOM 0 HD2 LYS A 17 30.471 -0.234 5.580 1.00 5.07 H new ATOM 0 HD3 LYS A 17 29.452 0.779 4.576 1.00 5.07 H new ATOM 0 HE2 LYS A 17 28.708 0.762 6.946 1.00 5.85 H new ATOM 0 HE3 LYS A 17 27.468 0.167 5.861 1.00 5.85 H new ATOM 0 HZ1 LYS A 17 27.853 -1.159 7.943 1.00 6.09 H new ATOM 0 HZ2 LYS A 17 27.879 -2.050 6.498 1.00 6.09 H new ATOM 0 HZ3 LYS A 17 29.334 -1.656 7.278 1.00 6.09 H new ATOM 255 N MET A 18 28.106 -3.942 2.387 1.00 2.38 N ATOM 256 CA MET A 18 26.764 -4.332 1.999 1.00 2.12 C ATOM 257 C MET A 18 25.832 -4.327 3.204 1.00 2.26 C ATOM 258 O MET A 18 26.249 -4.577 4.331 1.00 2.37 O ATOM 259 CB MET A 18 26.774 -5.716 1.356 1.00 1.82 C ATOM 260 CG MET A 18 27.336 -5.722 -0.054 1.00 2.03 C ATOM 261 SD MET A 18 27.684 -7.386 -0.654 1.00 2.43 S ATOM 262 CE MET A 18 28.348 -7.030 -2.277 1.00 3.14 C ATOM 0 H MET A 18 28.480 -4.485 3.165 1.00 2.38 H new ATOM 0 HA MET A 18 26.399 -3.607 1.271 1.00 2.12 H new ATOM 0 HB2 MET A 18 27.362 -6.392 1.976 1.00 1.82 H new ATOM 0 HB3 MET A 18 25.756 -6.106 1.335 1.00 1.82 H new ATOM 0 HG2 MET A 18 26.627 -5.238 -0.726 1.00 2.03 H new ATOM 0 HG3 MET A 18 28.252 -5.132 -0.079 1.00 2.03 H new ATOM 0 HE1 MET A 18 28.758 -7.942 -2.711 1.00 3.14 H new ATOM 0 HE2 MET A 18 27.554 -6.648 -2.919 1.00 3.14 H new ATOM 0 HE3 MET A 18 29.137 -6.283 -2.191 1.00 3.14 H new ATOM 272 N PHE A 19 24.579 -4.020 2.943 1.00 2.46 N ATOM 273 CA PHE A 19 23.550 -3.962 3.965 1.00 2.77 C ATOM 274 C PHE A 19 22.407 -4.898 3.577 1.00 2.74 C ATOM 275 O PHE A 19 22.171 -5.131 2.400 1.00 2.74 O ATOM 276 CB PHE A 19 23.051 -2.521 4.093 1.00 3.31 C ATOM 277 CG PHE A 19 22.578 -2.155 5.468 1.00 3.72 C ATOM 278 CD1 PHE A 19 23.469 -1.675 6.413 1.00 4.18 C ATOM 279 CD2 PHE A 19 21.243 -2.283 5.813 1.00 3.78 C ATOM 280 CE1 PHE A 19 23.038 -1.331 7.679 1.00 4.66 C ATOM 281 CE2 PHE A 19 20.805 -1.939 7.076 1.00 4.26 C ATOM 282 CZ PHE A 19 21.704 -1.463 8.011 1.00 4.68 C ATOM 0 H PHE A 19 24.240 -3.801 2.006 1.00 2.46 H new ATOM 0 HA PHE A 19 23.952 -4.280 4.927 1.00 2.77 H new ATOM 0 HB2 PHE A 19 23.854 -1.843 3.805 1.00 3.31 H new ATOM 0 HB3 PHE A 19 22.235 -2.367 3.387 1.00 3.31 H new ATOM 0 HD1 PHE A 19 24.513 -1.568 6.157 1.00 4.18 H new ATOM 0 HD2 PHE A 19 20.537 -2.656 5.086 1.00 3.78 H new ATOM 0 HE1 PHE A 19 23.743 -0.959 8.408 1.00 4.66 H new ATOM 0 HE2 PHE A 19 19.761 -2.042 7.333 1.00 4.26 H new ATOM 0 HZ PHE A 19 21.364 -1.194 9.000 1.00 4.68 H new ATOM 292 N VAL A 20 21.742 -5.487 4.558 1.00 2.86 N ATOM 293 CA VAL A 20 20.636 -6.398 4.275 1.00 3.00 C ATOM 294 C VAL A 20 19.376 -5.952 5.007 1.00 3.64 C ATOM 295 O VAL A 20 19.451 -5.486 6.144 1.00 3.85 O ATOM 296 CB VAL A 20 20.983 -7.842 4.676 1.00 2.66 C ATOM 297 CG1 VAL A 20 22.457 -8.123 4.454 1.00 2.37 C ATOM 298 CG2 VAL A 20 20.583 -8.117 6.112 1.00 2.99 C ATOM 0 H VAL A 20 21.943 -5.355 5.549 1.00 2.86 H new ATOM 0 HA VAL A 20 20.457 -6.372 3.200 1.00 3.00 H new ATOM 0 HB VAL A 20 20.413 -8.518 4.038 1.00 2.66 H new ATOM 0 HG11 VAL A 20 22.679 -9.150 4.744 1.00 2.37 H new ATOM 0 HG12 VAL A 20 22.699 -7.983 3.401 1.00 2.37 H new ATOM 0 HG13 VAL A 20 23.053 -7.438 5.057 1.00 2.37 H new ATOM 0 HG21 VAL A 20 20.839 -9.144 6.371 1.00 2.99 H new ATOM 0 HG22 VAL A 20 21.113 -7.433 6.775 1.00 2.99 H new ATOM 0 HG23 VAL A 20 19.509 -7.971 6.225 1.00 2.99 H new ATOM 308 N GLY A 21 18.223 -6.061 4.352 1.00 3.97 N ATOM 309 CA GLY A 21 16.986 -5.615 5.019 1.00 4.60 C ATOM 310 C GLY A 21 15.742 -6.484 4.822 1.00 4.93 C ATOM 311 O GLY A 21 15.479 -6.978 3.726 1.00 4.85 O ATOM 0 H GLY A 21 18.110 -6.433 3.409 1.00 3.97 H new ATOM 0 HA2 GLY A 21 17.184 -5.543 6.088 1.00 4.60 H new ATOM 0 HA3 GLY A 21 16.756 -4.609 4.669 1.00 4.60 H new ATOM 315 N GLN A 22 14.972 -6.659 5.907 1.00 5.36 N ATOM 316 CA GLN A 22 13.701 -7.401 5.883 1.00 5.79 C ATOM 317 C GLN A 22 13.874 -8.913 5.941 1.00 5.48 C ATOM 318 O GLN A 22 13.437 -9.639 5.053 1.00 5.53 O ATOM 319 CB GLN A 22 12.863 -7.006 4.660 1.00 6.13 C ATOM 320 CG GLN A 22 11.428 -7.506 4.711 1.00 6.35 C ATOM 321 CD GLN A 22 10.661 -7.208 3.437 1.00 7.21 C ATOM 322 OE1 GLN A 22 10.041 -6.155 3.305 1.00 7.79 O ATOM 323 NE2 GLN A 22 10.703 -8.137 2.490 1.00 7.55 N ATOM 0 H GLN A 22 15.213 -6.290 6.827 1.00 5.36 H new ATOM 0 HA GLN A 22 13.173 -7.118 6.793 1.00 5.79 H new ATOM 0 HB2 GLN A 22 12.856 -5.920 4.572 1.00 6.13 H new ATOM 0 HB3 GLN A 22 13.342 -7.396 3.762 1.00 6.13 H new ATOM 0 HG2 GLN A 22 11.428 -8.582 4.888 1.00 6.35 H new ATOM 0 HG3 GLN A 22 10.916 -7.044 5.555 1.00 6.35 H new ATOM 0 HE21 GLN A 22 11.230 -8.997 2.642 1.00 7.55 H new ATOM 0 HE22 GLN A 22 10.208 -7.991 1.610 1.00 7.55 H new ATOM 332 N VAL A 23 14.487 -9.377 7.014 1.00 5.25 N ATOM 333 CA VAL A 23 14.681 -10.800 7.230 1.00 5.09 C ATOM 334 C VAL A 23 14.092 -11.200 8.580 1.00 5.64 C ATOM 335 O VAL A 23 14.304 -10.512 9.576 1.00 5.87 O ATOM 336 CB VAL A 23 16.176 -11.173 7.181 1.00 4.52 C ATOM 337 CG1 VAL A 23 17.009 -10.074 7.812 1.00 4.57 C ATOM 338 CG2 VAL A 23 16.442 -12.504 7.869 1.00 4.51 C ATOM 0 H VAL A 23 14.862 -8.785 7.755 1.00 5.25 H new ATOM 0 HA VAL A 23 14.171 -11.339 6.432 1.00 5.09 H new ATOM 0 HB VAL A 23 16.462 -11.280 6.135 1.00 4.52 H new ATOM 0 HG11 VAL A 23 18.063 -10.348 7.772 1.00 4.57 H new ATOM 0 HG12 VAL A 23 16.855 -9.143 7.267 1.00 4.57 H new ATOM 0 HG13 VAL A 23 16.708 -9.940 8.851 1.00 4.57 H new ATOM 0 HG21 VAL A 23 17.506 -12.735 7.815 1.00 4.51 H new ATOM 0 HG22 VAL A 23 16.137 -12.441 8.913 1.00 4.51 H new ATOM 0 HG23 VAL A 23 15.874 -13.290 7.372 1.00 4.51 H new ATOM 348 N PRO A 24 13.318 -12.301 8.632 1.00 5.91 N ATOM 349 CA PRO A 24 12.723 -12.770 9.882 1.00 6.48 C ATOM 350 C PRO A 24 13.798 -13.053 10.915 1.00 6.48 C ATOM 351 O PRO A 24 13.558 -12.994 12.122 1.00 7.01 O ATOM 352 CB PRO A 24 11.997 -14.059 9.480 1.00 6.70 C ATOM 353 CG PRO A 24 11.783 -13.933 8.016 1.00 6.51 C ATOM 354 CD PRO A 24 12.965 -13.169 7.498 1.00 5.77 C ATOM 0 HA PRO A 24 12.056 -12.036 10.335 1.00 6.48 H new ATOM 0 HB2 PRO A 24 12.593 -14.940 9.718 1.00 6.70 H new ATOM 0 HB3 PRO A 24 11.051 -14.162 10.011 1.00 6.70 H new ATOM 0 HG2 PRO A 24 11.713 -14.913 7.545 1.00 6.51 H new ATOM 0 HG3 PRO A 24 10.852 -13.408 7.800 1.00 6.51 H new ATOM 0 HD2 PRO A 24 13.786 -13.832 7.225 1.00 5.77 H new ATOM 0 HD3 PRO A 24 12.714 -12.590 6.609 1.00 5.77 H new ATOM 362 N ARG A 25 14.992 -13.366 10.414 1.00 6.06 N ATOM 363 CA ARG A 25 16.146 -13.650 11.255 1.00 6.01 C ATOM 364 C ARG A 25 15.852 -14.796 12.220 1.00 6.40 C ATOM 365 O ARG A 25 16.636 -15.074 13.128 1.00 6.39 O ATOM 366 CB ARG A 25 16.540 -12.396 12.041 1.00 5.95 C ATOM 367 CG ARG A 25 16.747 -11.155 11.179 1.00 5.62 C ATOM 368 CD ARG A 25 16.445 -9.895 11.965 1.00 5.99 C ATOM 369 NE ARG A 25 17.272 -9.783 13.165 1.00 6.24 N ATOM 370 CZ ARG A 25 16.777 -9.675 14.394 1.00 6.85 C ATOM 371 NH1 ARG A 25 15.464 -9.677 14.588 1.00 7.30 N ATOM 372 NH2 ARG A 25 17.594 -9.567 15.432 1.00 7.24 N ATOM 0 H ARG A 25 15.183 -13.429 9.414 1.00 6.06 H new ATOM 0 HA ARG A 25 16.973 -13.949 10.610 1.00 6.01 H new ATOM 0 HB2 ARG A 25 15.766 -12.186 12.780 1.00 5.95 H new ATOM 0 HB3 ARG A 25 17.459 -12.600 12.591 1.00 5.95 H new ATOM 0 HG2 ARG A 25 17.775 -11.126 10.818 1.00 5.62 H new ATOM 0 HG3 ARG A 25 16.102 -11.205 10.302 1.00 5.62 H new ATOM 0 HD2 ARG A 25 16.609 -9.024 11.330 1.00 5.99 H new ATOM 0 HD3 ARG A 25 15.393 -9.889 12.249 1.00 5.99 H new ATOM 0 HE ARG A 25 18.286 -9.788 13.053 1.00 6.24 H new ATOM 0 HH11 ARG A 25 14.831 -9.762 13.793 1.00 7.30 H new ATOM 0 HH12 ARG A 25 15.088 -9.594 15.532 1.00 7.30 H new ATOM 0 HH21 ARG A 25 18.604 -9.567 15.288 1.00 7.24 H new ATOM 0 HH22 ARG A 25 17.213 -9.484 16.375 1.00 7.24 H new ATOM 386 N THR A 26 14.718 -15.459 12.008 1.00 6.80 N ATOM 387 CA THR A 26 14.302 -16.569 12.858 1.00 7.23 C ATOM 388 C THR A 26 15.288 -17.730 12.795 1.00 7.16 C ATOM 389 O THR A 26 15.391 -18.520 13.733 1.00 7.49 O ATOM 390 CB THR A 26 12.900 -17.079 12.470 1.00 7.59 C ATOM 391 OG1 THR A 26 12.536 -18.191 13.298 1.00 8.00 O ATOM 392 CG2 THR A 26 12.857 -17.497 11.006 1.00 7.42 C ATOM 0 H THR A 26 14.069 -15.245 11.251 1.00 6.80 H new ATOM 0 HA THR A 26 14.276 -16.183 13.877 1.00 7.23 H new ATOM 0 HB THR A 26 12.190 -16.265 12.619 1.00 7.59 H new ATOM 0 HG1 THR A 26 11.644 -18.508 13.046 1.00 8.00 H new ATOM 0 HG21 THR A 26 11.857 -17.853 10.758 1.00 7.42 H new ATOM 0 HG22 THR A 26 13.104 -16.642 10.376 1.00 7.42 H new ATOM 0 HG23 THR A 26 13.579 -18.295 10.834 1.00 7.42 H new ATOM 400 N TRP A 27 16.010 -17.834 11.684 1.00 6.78 N ATOM 401 CA TRP A 27 16.984 -18.904 11.509 1.00 6.78 C ATOM 402 C TRP A 27 18.292 -18.562 12.221 1.00 6.52 C ATOM 403 O TRP A 27 18.324 -17.682 13.082 1.00 6.48 O ATOM 404 CB TRP A 27 17.229 -19.153 10.020 1.00 6.61 C ATOM 405 CG TRP A 27 15.967 -19.314 9.233 1.00 6.78 C ATOM 406 CD1 TRP A 27 15.394 -18.392 8.407 1.00 7.11 C ATOM 407 CD2 TRP A 27 15.115 -20.465 9.202 1.00 6.87 C ATOM 408 NE1 TRP A 27 14.242 -18.899 7.859 1.00 7.30 N ATOM 409 CE2 TRP A 27 14.048 -20.170 8.333 1.00 7.14 C ATOM 410 CE3 TRP A 27 15.150 -21.718 9.824 1.00 7.00 C ATOM 411 CZ2 TRP A 27 13.027 -21.080 8.071 1.00 7.39 C ATOM 412 CZ3 TRP A 27 14.137 -22.619 9.561 1.00 7.36 C ATOM 413 CH2 TRP A 27 13.087 -22.297 8.691 1.00 7.49 C ATOM 0 H TRP A 27 15.939 -17.192 10.894 1.00 6.78 H new ATOM 0 HA TRP A 27 16.585 -19.816 11.953 1.00 6.78 H new ATOM 0 HB2 TRP A 27 17.802 -18.322 9.609 1.00 6.61 H new ATOM 0 HB3 TRP A 27 17.839 -20.049 9.904 1.00 6.61 H new ATOM 0 HD1 TRP A 27 15.789 -17.406 8.212 1.00 7.11 H new ATOM 0 HE1 TRP A 27 13.630 -18.410 7.206 1.00 7.30 H new ATOM 0 HE3 TRP A 27 15.954 -21.976 10.497 1.00 7.00 H new ATOM 0 HZ2 TRP A 27 12.216 -20.833 7.402 1.00 7.39 H new ATOM 0 HZ3 TRP A 27 14.154 -23.589 10.035 1.00 7.36 H new ATOM 0 HH2 TRP A 27 12.310 -23.024 8.507 1.00 7.49 H new ATOM 424 N SER A 28 19.369 -19.259 11.865 1.00 6.41 N ATOM 425 CA SER A 28 20.668 -19.017 12.482 1.00 6.22 C ATOM 426 C SER A 28 21.483 -18.016 11.670 1.00 5.65 C ATOM 427 O SER A 28 21.160 -17.724 10.517 1.00 5.37 O ATOM 428 CB SER A 28 21.448 -20.327 12.621 1.00 6.54 C ATOM 429 OG SER A 28 21.549 -20.997 11.376 1.00 6.97 O ATOM 0 H SER A 28 19.367 -19.992 11.156 1.00 6.41 H new ATOM 0 HA SER A 28 20.492 -18.598 13.473 1.00 6.22 H new ATOM 0 HB2 SER A 28 22.446 -20.120 13.008 1.00 6.54 H new ATOM 0 HB3 SER A 28 20.953 -20.973 13.346 1.00 6.54 H new ATOM 0 HG SER A 28 22.053 -21.829 11.492 1.00 6.97 H new ATOM 435 N GLU A 29 22.539 -17.491 12.281 1.00 5.49 N ATOM 436 CA GLU A 29 23.400 -16.519 11.618 1.00 4.97 C ATOM 437 C GLU A 29 24.138 -17.162 10.451 1.00 4.84 C ATOM 438 O GLU A 29 24.199 -16.603 9.356 1.00 4.48 O ATOM 439 CB GLU A 29 24.407 -15.951 12.615 1.00 4.89 C ATOM 440 CG GLU A 29 25.121 -14.704 12.120 1.00 4.40 C ATOM 441 CD GLU A 29 26.082 -14.137 13.146 1.00 4.54 C ATOM 442 OE1 GLU A 29 25.645 -13.306 13.972 1.00 4.76 O ATOM 443 OE2 GLU A 29 27.269 -14.523 13.125 1.00 4.58 O ATOM 0 H GLU A 29 22.819 -17.722 13.234 1.00 5.49 H new ATOM 0 HA GLU A 29 22.777 -15.712 11.233 1.00 4.97 H new ATOM 0 HB2 GLU A 29 23.891 -15.718 13.546 1.00 4.89 H new ATOM 0 HB3 GLU A 29 25.148 -16.716 12.845 1.00 4.89 H new ATOM 0 HG2 GLU A 29 25.668 -14.941 11.207 1.00 4.40 H new ATOM 0 HG3 GLU A 29 24.382 -13.945 11.861 1.00 4.40 H new ATOM 450 N LYS A 30 24.686 -18.347 10.696 1.00 5.20 N ATOM 451 CA LYS A 30 25.426 -19.079 9.677 1.00 5.23 C ATOM 452 C LYS A 30 24.577 -19.277 8.427 1.00 5.19 C ATOM 453 O LYS A 30 25.053 -19.093 7.307 1.00 4.95 O ATOM 454 CB LYS A 30 25.879 -20.430 10.230 1.00 5.76 C ATOM 455 CG LYS A 30 26.495 -21.350 9.184 1.00 6.10 C ATOM 456 CD LYS A 30 27.741 -20.734 8.563 1.00 6.00 C ATOM 457 CE LYS A 30 28.373 -21.665 7.541 1.00 6.45 C ATOM 458 NZ LYS A 30 28.827 -22.942 8.159 1.00 7.08 N ATOM 0 H LYS A 30 24.631 -18.822 11.597 1.00 5.20 H new ATOM 0 HA LYS A 30 26.304 -18.495 9.402 1.00 5.23 H new ATOM 0 HB2 LYS A 30 26.606 -20.261 11.024 1.00 5.76 H new ATOM 0 HB3 LYS A 30 25.024 -20.932 10.682 1.00 5.76 H new ATOM 0 HG2 LYS A 30 26.750 -22.305 9.643 1.00 6.10 H new ATOM 0 HG3 LYS A 30 25.763 -21.557 8.404 1.00 6.10 H new ATOM 0 HD2 LYS A 30 27.481 -19.790 8.085 1.00 6.00 H new ATOM 0 HD3 LYS A 30 28.465 -20.507 9.346 1.00 6.00 H new ATOM 0 HE2 LYS A 30 27.653 -21.880 6.751 1.00 6.45 H new ATOM 0 HE3 LYS A 30 29.221 -21.167 7.072 1.00 6.45 H new ATOM 0 HZ1 LYS A 30 29.455 -23.443 7.499 1.00 7.08 H new ATOM 0 HZ2 LYS A 30 29.342 -22.738 9.039 1.00 7.08 H new ATOM 0 HZ3 LYS A 30 28.001 -23.538 8.371 1.00 7.08 H new ATOM 472 N ASP A 31 23.317 -19.653 8.624 1.00 5.49 N ATOM 473 CA ASP A 31 22.404 -19.869 7.509 1.00 5.55 C ATOM 474 C ASP A 31 22.269 -18.598 6.679 1.00 5.01 C ATOM 475 O ASP A 31 22.203 -18.648 5.451 1.00 4.91 O ATOM 476 CB ASP A 31 21.030 -20.306 8.023 1.00 6.02 C ATOM 477 CG ASP A 31 20.039 -20.543 6.900 1.00 6.57 C ATOM 478 OD1 ASP A 31 19.384 -19.570 6.472 1.00 6.86 O ATOM 479 OD2 ASP A 31 19.918 -21.702 6.451 1.00 6.91 O ATOM 0 H ASP A 31 22.906 -19.814 9.544 1.00 5.49 H new ATOM 0 HA ASP A 31 22.812 -20.659 6.878 1.00 5.55 H new ATOM 0 HB2 ASP A 31 21.138 -21.220 8.607 1.00 6.02 H new ATOM 0 HB3 ASP A 31 20.637 -19.543 8.695 1.00 6.02 H new ATOM 484 N LEU A 32 22.238 -17.460 7.364 1.00 4.72 N ATOM 485 CA LEU A 32 22.112 -16.169 6.697 1.00 4.23 C ATOM 486 C LEU A 32 23.327 -15.899 5.817 1.00 3.82 C ATOM 487 O LEU A 32 23.216 -15.276 4.762 1.00 3.55 O ATOM 488 CB LEU A 32 21.963 -15.054 7.731 1.00 4.13 C ATOM 489 CG LEU A 32 21.698 -13.666 7.151 1.00 3.86 C ATOM 490 CD1 LEU A 32 20.206 -13.375 7.118 1.00 4.25 C ATOM 491 CD2 LEU A 32 22.438 -12.607 7.953 1.00 3.73 C ATOM 0 H LEU A 32 22.298 -17.405 8.381 1.00 4.72 H new ATOM 0 HA LEU A 32 21.223 -16.194 6.067 1.00 4.23 H new ATOM 0 HB2 LEU A 32 21.146 -15.311 8.405 1.00 4.13 H new ATOM 0 HB3 LEU A 32 22.871 -15.013 8.332 1.00 4.13 H new ATOM 0 HG LEU A 32 22.070 -13.642 6.127 1.00 3.86 H new ATOM 0 HD11 LEU A 32 20.038 -12.382 6.702 1.00 4.25 H new ATOM 0 HD12 LEU A 32 19.704 -14.118 6.498 1.00 4.25 H new ATOM 0 HD13 LEU A 32 19.805 -13.416 8.131 1.00 4.25 H new ATOM 0 HD21 LEU A 32 22.239 -11.623 7.527 1.00 3.73 H new ATOM 0 HD22 LEU A 32 22.097 -12.630 8.988 1.00 3.73 H new ATOM 0 HD23 LEU A 32 23.509 -12.807 7.919 1.00 3.73 H new ATOM 503 N ARG A 33 24.487 -16.369 6.265 1.00 3.89 N ATOM 504 CA ARG A 33 25.724 -16.181 5.521 1.00 3.67 C ATOM 505 C ARG A 33 25.609 -16.773 4.122 1.00 3.83 C ATOM 506 O ARG A 33 26.193 -16.257 3.169 1.00 3.57 O ATOM 507 CB ARG A 33 26.896 -16.831 6.260 1.00 3.95 C ATOM 508 CG ARG A 33 27.098 -16.309 7.673 1.00 4.34 C ATOM 509 CD ARG A 33 28.289 -16.973 8.345 1.00 4.72 C ATOM 510 NE ARG A 33 28.567 -16.403 9.658 1.00 5.30 N ATOM 511 CZ ARG A 33 29.664 -16.672 10.362 1.00 5.77 C ATOM 512 NH1 ARG A 33 30.577 -17.505 9.880 1.00 5.63 N ATOM 513 NH2 ARG A 33 29.848 -16.108 11.548 1.00 6.56 N ATOM 0 H ARG A 33 24.594 -16.883 7.140 1.00 3.89 H new ATOM 0 HA ARG A 33 25.905 -15.110 5.435 1.00 3.67 H new ATOM 0 HB2 ARG A 33 26.735 -17.908 6.301 1.00 3.95 H new ATOM 0 HB3 ARG A 33 27.809 -16.667 5.688 1.00 3.95 H new ATOM 0 HG2 ARG A 33 27.249 -15.230 7.646 1.00 4.34 H new ATOM 0 HG3 ARG A 33 26.199 -16.490 8.261 1.00 4.34 H new ATOM 0 HD2 ARG A 33 28.098 -18.041 8.447 1.00 4.72 H new ATOM 0 HD3 ARG A 33 29.169 -16.866 7.710 1.00 4.72 H new ATOM 0 HE ARG A 33 27.882 -15.762 10.059 1.00 5.30 H new ATOM 0 HH11 ARG A 33 30.439 -17.941 8.968 1.00 5.63 H new ATOM 0 HH12 ARG A 33 31.417 -17.710 10.421 1.00 5.63 H new ATOM 0 HH21 ARG A 33 29.148 -15.467 11.922 1.00 6.56 H new ATOM 0 HH22 ARG A 33 30.689 -16.315 12.086 1.00 6.56 H new ATOM 527 N GLU A 34 24.846 -17.857 4.010 1.00 4.29 N ATOM 528 CA GLU A 34 24.658 -18.535 2.732 1.00 4.54 C ATOM 529 C GLU A 34 24.144 -17.575 1.665 1.00 4.17 C ATOM 530 O GLU A 34 24.600 -17.612 0.521 1.00 4.17 O ATOM 531 CB GLU A 34 23.690 -19.708 2.889 1.00 5.12 C ATOM 532 CG GLU A 34 24.198 -20.795 3.820 1.00 5.67 C ATOM 533 CD GLU A 34 23.284 -22.005 3.859 1.00 6.50 C ATOM 534 OE1 GLU A 34 22.361 -22.026 4.700 1.00 6.86 O ATOM 535 OE2 GLU A 34 23.494 -22.933 3.049 1.00 6.88 O ATOM 0 H GLU A 34 24.348 -18.285 4.790 1.00 4.29 H new ATOM 0 HA GLU A 34 25.629 -18.912 2.410 1.00 4.54 H new ATOM 0 HB2 GLU A 34 22.738 -19.334 3.266 1.00 5.12 H new ATOM 0 HB3 GLU A 34 23.497 -20.142 1.908 1.00 5.12 H new ATOM 0 HG2 GLU A 34 25.193 -21.106 3.501 1.00 5.67 H new ATOM 0 HG3 GLU A 34 24.299 -20.388 4.826 1.00 5.67 H new ATOM 542 N LEU A 35 23.209 -16.712 2.045 1.00 3.97 N ATOM 543 CA LEU A 35 22.639 -15.749 1.107 1.00 3.73 C ATOM 544 C LEU A 35 23.744 -14.920 0.464 1.00 3.22 C ATOM 545 O LEU A 35 23.726 -14.651 -0.736 1.00 3.17 O ATOM 546 CB LEU A 35 21.655 -14.809 1.824 1.00 3.73 C ATOM 547 CG LEU A 35 20.775 -15.455 2.898 1.00 4.04 C ATOM 548 CD1 LEU A 35 19.840 -14.420 3.519 1.00 4.24 C ATOM 549 CD2 LEU A 35 19.976 -16.612 2.316 1.00 4.42 C ATOM 0 H LEU A 35 22.830 -16.658 2.991 1.00 3.97 H new ATOM 0 HA LEU A 35 22.105 -16.305 0.337 1.00 3.73 H new ATOM 0 HB2 LEU A 35 22.224 -14.002 2.285 1.00 3.73 H new ATOM 0 HB3 LEU A 35 21.006 -14.354 1.075 1.00 3.73 H new ATOM 0 HG LEU A 35 21.425 -15.847 3.680 1.00 4.04 H new ATOM 0 HD11 LEU A 35 19.223 -14.898 4.280 1.00 4.24 H new ATOM 0 HD12 LEU A 35 20.429 -13.625 3.976 1.00 4.24 H new ATOM 0 HD13 LEU A 35 19.200 -13.997 2.745 1.00 4.24 H new ATOM 0 HD21 LEU A 35 19.358 -17.056 3.096 1.00 4.42 H new ATOM 0 HD22 LEU A 35 19.338 -16.245 1.512 1.00 4.42 H new ATOM 0 HD23 LEU A 35 20.659 -17.364 1.922 1.00 4.42 H new ATOM 561 N PHE A 36 24.706 -14.523 1.287 1.00 2.92 N ATOM 562 CA PHE A 36 25.829 -13.707 0.843 1.00 2.53 C ATOM 563 C PHE A 36 26.873 -14.521 0.080 1.00 2.79 C ATOM 564 O PHE A 36 27.578 -13.986 -0.776 1.00 2.71 O ATOM 565 CB PHE A 36 26.460 -13.030 2.056 1.00 2.33 C ATOM 566 CG PHE A 36 25.432 -12.483 3.004 1.00 2.64 C ATOM 567 CD1 PHE A 36 24.485 -11.571 2.569 1.00 3.18 C ATOM 568 CD2 PHE A 36 25.402 -12.894 4.324 1.00 2.74 C ATOM 569 CE1 PHE A 36 23.530 -11.079 3.435 1.00 3.84 C ATOM 570 CE2 PHE A 36 24.452 -12.404 5.197 1.00 3.25 C ATOM 571 CZ PHE A 36 23.513 -11.495 4.751 1.00 3.84 C ATOM 0 H PHE A 36 24.730 -14.757 2.280 1.00 2.92 H new ATOM 0 HA PHE A 36 25.452 -12.956 0.149 1.00 2.53 H new ATOM 0 HB2 PHE A 36 27.091 -13.747 2.582 1.00 2.33 H new ATOM 0 HB3 PHE A 36 27.109 -12.221 1.721 1.00 2.33 H new ATOM 0 HD1 PHE A 36 24.494 -11.241 1.541 1.00 3.18 H new ATOM 0 HD2 PHE A 36 26.132 -13.608 4.676 1.00 2.74 H new ATOM 0 HE1 PHE A 36 22.796 -10.369 3.083 1.00 3.84 H new ATOM 0 HE2 PHE A 36 24.443 -12.731 6.226 1.00 3.25 H new ATOM 0 HZ PHE A 36 22.767 -11.110 5.430 1.00 3.84 H new ATOM 581 N GLU A 37 26.969 -15.810 0.389 1.00 3.23 N ATOM 582 CA GLU A 37 27.939 -16.681 -0.271 1.00 3.62 C ATOM 583 C GLU A 37 27.695 -16.738 -1.775 1.00 3.69 C ATOM 584 O GLU A 37 28.612 -17.010 -2.552 1.00 3.94 O ATOM 585 CB GLU A 37 27.889 -18.090 0.322 1.00 4.13 C ATOM 586 CG GLU A 37 28.420 -18.171 1.743 1.00 4.40 C ATOM 587 CD GLU A 37 28.466 -19.592 2.271 1.00 5.13 C ATOM 588 OE1 GLU A 37 29.472 -20.288 2.017 1.00 5.27 O ATOM 589 OE2 GLU A 37 27.495 -20.011 2.935 1.00 5.70 O ATOM 0 H GLU A 37 26.390 -16.274 1.089 1.00 3.23 H new ATOM 0 HA GLU A 37 28.930 -16.261 -0.101 1.00 3.62 H new ATOM 0 HB2 GLU A 37 26.859 -18.445 0.307 1.00 4.13 H new ATOM 0 HB3 GLU A 37 28.467 -18.763 -0.312 1.00 4.13 H new ATOM 0 HG2 GLU A 37 29.422 -17.743 1.777 1.00 4.40 H new ATOM 0 HG3 GLU A 37 27.792 -17.565 2.396 1.00 4.40 H new ATOM 596 N GLN A 38 26.457 -16.472 -2.179 1.00 3.55 N ATOM 597 CA GLN A 38 26.084 -16.503 -3.592 1.00 3.66 C ATOM 598 C GLN A 38 26.823 -15.432 -4.393 1.00 3.45 C ATOM 599 O GLN A 38 26.672 -15.348 -5.613 1.00 3.63 O ATOM 600 CB GLN A 38 24.578 -16.306 -3.744 1.00 3.66 C ATOM 601 CG GLN A 38 23.756 -17.346 -3.006 1.00 4.03 C ATOM 602 CD GLN A 38 22.267 -17.141 -3.180 1.00 4.19 C ATOM 603 OE1 GLN A 38 21.813 -16.626 -4.203 1.00 4.53 O ATOM 604 NE2 GLN A 38 21.496 -17.544 -2.180 1.00 4.12 N ATOM 0 H GLN A 38 25.693 -16.232 -1.548 1.00 3.55 H new ATOM 0 HA GLN A 38 26.368 -17.479 -3.985 1.00 3.66 H new ATOM 0 HB2 GLN A 38 24.310 -15.315 -3.377 1.00 3.66 H new ATOM 0 HB3 GLN A 38 24.320 -16.335 -4.803 1.00 3.66 H new ATOM 0 HG2 GLN A 38 24.027 -18.339 -3.365 1.00 4.03 H new ATOM 0 HG3 GLN A 38 24.002 -17.312 -1.945 1.00 4.03 H new ATOM 0 HE21 GLN A 38 21.915 -17.966 -1.351 1.00 4.12 H new ATOM 0 HE22 GLN A 38 20.484 -17.433 -2.239 1.00 4.12 H new ATOM 613 N TYR A 39 27.618 -14.616 -3.708 1.00 3.16 N ATOM 614 CA TYR A 39 28.363 -13.550 -4.369 1.00 3.09 C ATOM 615 C TYR A 39 29.868 -13.776 -4.288 1.00 3.43 C ATOM 616 O TYR A 39 30.622 -13.259 -5.113 1.00 3.70 O ATOM 617 CB TYR A 39 28.004 -12.199 -3.753 1.00 2.67 C ATOM 618 CG TYR A 39 26.556 -11.817 -3.952 1.00 2.49 C ATOM 619 CD1 TYR A 39 26.070 -11.513 -5.217 1.00 2.65 C ATOM 620 CD2 TYR A 39 25.676 -11.765 -2.880 1.00 2.40 C ATOM 621 CE1 TYR A 39 24.748 -11.166 -5.407 1.00 2.74 C ATOM 622 CE2 TYR A 39 24.351 -11.418 -3.062 1.00 2.52 C ATOM 623 CZ TYR A 39 23.893 -11.121 -4.328 1.00 2.70 C ATOM 624 OH TYR A 39 22.576 -10.775 -4.515 1.00 3.03 O ATOM 0 H TYR A 39 27.763 -14.672 -2.700 1.00 3.16 H new ATOM 0 HA TYR A 39 28.083 -13.556 -5.422 1.00 3.09 H new ATOM 0 HB2 TYR A 39 28.222 -12.225 -2.685 1.00 2.67 H new ATOM 0 HB3 TYR A 39 28.639 -11.428 -4.190 1.00 2.67 H new ATOM 0 HD1 TYR A 39 26.737 -11.549 -6.065 1.00 2.65 H new ATOM 0 HD2 TYR A 39 26.033 -11.999 -1.888 1.00 2.40 H new ATOM 0 HE1 TYR A 39 24.386 -10.931 -6.397 1.00 2.74 H new ATOM 0 HE2 TYR A 39 23.678 -11.380 -2.218 1.00 2.52 H new ATOM 0 HH TYR A 39 22.201 -10.446 -3.671 1.00 3.03 H new ATOM 634 N GLY A 40 30.307 -14.545 -3.298 1.00 3.54 N ATOM 635 CA GLY A 40 31.728 -14.807 -3.155 1.00 3.95 C ATOM 636 C GLY A 40 32.132 -15.129 -1.732 1.00 4.02 C ATOM 637 O GLY A 40 31.407 -15.816 -1.011 1.00 3.95 O ATOM 0 H GLY A 40 29.712 -14.988 -2.598 1.00 3.54 H new ATOM 0 HA2 GLY A 40 32.005 -15.639 -3.802 1.00 3.95 H new ATOM 0 HA3 GLY A 40 32.288 -13.937 -3.497 1.00 3.95 H new ATOM 641 N ALA A 41 33.295 -14.627 -1.325 1.00 4.22 N ATOM 642 CA ALA A 41 33.809 -14.871 0.018 1.00 4.36 C ATOM 643 C ALA A 41 33.451 -13.740 0.979 1.00 3.96 C ATOM 644 O ALA A 41 33.893 -12.599 0.813 1.00 3.97 O ATOM 645 CB ALA A 41 35.317 -15.066 -0.028 1.00 4.90 C ATOM 0 H ALA A 41 33.899 -14.048 -1.908 1.00 4.22 H new ATOM 0 HA ALA A 41 33.338 -15.780 0.393 1.00 4.36 H new ATOM 0 HB1 ALA A 41 35.691 -15.248 0.979 1.00 4.90 H new ATOM 0 HB2 ALA A 41 35.554 -15.920 -0.663 1.00 4.90 H new ATOM 0 HB3 ALA A 41 35.787 -14.170 -0.434 1.00 4.90 H new ATOM 651 N VAL A 42 32.646 -14.071 1.987 1.00 3.69 N ATOM 652 CA VAL A 42 32.233 -13.098 2.989 1.00 3.34 C ATOM 653 C VAL A 42 33.303 -12.980 4.070 1.00 3.70 C ATOM 654 O VAL A 42 34.213 -13.807 4.137 1.00 4.23 O ATOM 655 CB VAL A 42 30.879 -13.483 3.624 1.00 3.12 C ATOM 656 CG1 VAL A 42 30.268 -12.287 4.324 1.00 2.79 C ATOM 657 CG2 VAL A 42 29.932 -14.035 2.572 1.00 3.91 C ATOM 0 H VAL A 42 32.268 -15.008 2.129 1.00 3.69 H new ATOM 0 HA VAL A 42 32.109 -12.135 2.494 1.00 3.34 H new ATOM 0 HB VAL A 42 31.052 -14.263 4.365 1.00 3.12 H new ATOM 0 HG11 VAL A 42 29.314 -12.573 4.767 1.00 2.79 H new ATOM 0 HG12 VAL A 42 30.942 -11.940 5.107 1.00 2.79 H new ATOM 0 HG13 VAL A 42 30.107 -11.486 3.602 1.00 2.79 H new ATOM 0 HG21 VAL A 42 28.984 -14.300 3.039 1.00 3.91 H new ATOM 0 HG22 VAL A 42 29.760 -13.280 1.805 1.00 3.91 H new ATOM 0 HG23 VAL A 42 30.372 -14.922 2.116 1.00 3.91 H new ATOM 667 N TYR A 43 33.200 -11.959 4.918 1.00 3.46 N ATOM 668 CA TYR A 43 34.195 -11.755 5.964 1.00 3.81 C ATOM 669 C TYR A 43 33.558 -11.342 7.286 1.00 3.64 C ATOM 670 O TYR A 43 33.751 -12.004 8.306 1.00 3.92 O ATOM 671 CB TYR A 43 35.210 -10.697 5.527 1.00 4.02 C ATOM 672 CG TYR A 43 36.359 -10.521 6.495 1.00 4.43 C ATOM 673 CD1 TYR A 43 37.464 -11.363 6.456 1.00 4.86 C ATOM 674 CD2 TYR A 43 36.339 -9.510 7.447 1.00 4.46 C ATOM 675 CE1 TYR A 43 38.514 -11.203 7.340 1.00 5.24 C ATOM 676 CE2 TYR A 43 37.386 -9.343 8.333 1.00 4.87 C ATOM 677 CZ TYR A 43 38.475 -10.200 8.275 1.00 5.22 C ATOM 678 OH TYR A 43 39.515 -10.029 9.157 1.00 5.63 O ATOM 0 H TYR A 43 32.448 -11.270 4.902 1.00 3.46 H new ATOM 0 HA TYR A 43 34.701 -12.708 6.121 1.00 3.81 H new ATOM 0 HB2 TYR A 43 35.608 -10.970 4.550 1.00 4.02 H new ATOM 0 HB3 TYR A 43 34.698 -9.742 5.407 1.00 4.02 H new ATOM 0 HD1 TYR A 43 37.503 -12.155 5.723 1.00 4.86 H new ATOM 0 HD2 TYR A 43 35.491 -8.843 7.496 1.00 4.46 H new ATOM 0 HE1 TYR A 43 39.365 -11.867 7.295 1.00 5.24 H new ATOM 0 HE2 TYR A 43 37.357 -8.550 9.066 1.00 4.87 H new ATOM 0 HH TYR A 43 39.322 -9.272 9.748 1.00 5.63 H new ATOM 688 N GLU A 44 32.803 -10.246 7.274 1.00 3.26 N ATOM 689 CA GLU A 44 32.173 -9.761 8.498 1.00 3.20 C ATOM 690 C GLU A 44 30.667 -9.585 8.338 1.00 2.81 C ATOM 691 O GLU A 44 30.201 -8.894 7.437 1.00 2.54 O ATOM 692 CB GLU A 44 32.802 -8.435 8.930 1.00 3.40 C ATOM 693 CG GLU A 44 32.236 -7.887 10.229 1.00 3.50 C ATOM 694 CD GLU A 44 32.495 -8.802 11.411 1.00 4.22 C ATOM 695 OE1 GLU A 44 33.546 -8.644 12.064 1.00 4.36 O ATOM 696 OE2 GLU A 44 31.645 -9.678 11.682 1.00 4.91 O ATOM 0 H GLU A 44 32.615 -9.685 6.443 1.00 3.26 H new ATOM 0 HA GLU A 44 32.341 -10.516 9.266 1.00 3.20 H new ATOM 0 HB2 GLU A 44 33.878 -8.572 9.042 1.00 3.40 H new ATOM 0 HB3 GLU A 44 32.655 -7.698 8.140 1.00 3.40 H new ATOM 0 HG2 GLU A 44 32.675 -6.909 10.428 1.00 3.50 H new ATOM 0 HG3 GLU A 44 31.162 -7.738 10.118 1.00 3.50 H new ATOM 703 N ILE A 45 29.915 -10.216 9.231 1.00 2.90 N ATOM 704 CA ILE A 45 28.465 -10.130 9.221 1.00 2.73 C ATOM 705 C ILE A 45 27.946 -9.931 10.633 1.00 3.01 C ATOM 706 O ILE A 45 28.297 -10.683 11.541 1.00 3.32 O ATOM 707 CB ILE A 45 27.829 -11.394 8.637 1.00 2.75 C ATOM 708 CG1 ILE A 45 28.125 -11.504 7.145 1.00 2.52 C ATOM 709 CG2 ILE A 45 26.327 -11.378 8.895 1.00 2.81 C ATOM 710 CD1 ILE A 45 28.061 -12.921 6.617 1.00 2.72 C ATOM 0 H ILE A 45 30.293 -10.798 9.978 1.00 2.90 H new ATOM 0 HA ILE A 45 28.194 -9.280 8.594 1.00 2.73 H new ATOM 0 HB ILE A 45 28.259 -12.268 9.126 1.00 2.75 H new ATOM 0 HG12 ILE A 45 27.413 -10.888 6.596 1.00 2.52 H new ATOM 0 HG13 ILE A 45 29.117 -11.097 6.949 1.00 2.52 H new ATOM 0 HG21 ILE A 45 25.877 -12.279 8.478 1.00 2.81 H new ATOM 0 HG22 ILE A 45 26.143 -11.343 9.969 1.00 2.81 H new ATOM 0 HG23 ILE A 45 25.886 -10.500 8.423 1.00 2.81 H new ATOM 0 HD11 ILE A 45 28.282 -12.922 5.550 1.00 2.72 H new ATOM 0 HD12 ILE A 45 28.792 -13.537 7.140 1.00 2.72 H new ATOM 0 HD13 ILE A 45 27.062 -13.326 6.781 1.00 2.72 H new ATOM 722 N ASN A 46 27.110 -8.920 10.822 1.00 2.98 N ATOM 723 CA ASN A 46 26.579 -8.639 12.144 1.00 3.34 C ATOM 724 C ASN A 46 25.085 -8.347 12.143 1.00 3.49 C ATOM 725 O ASN A 46 24.564 -7.694 11.238 1.00 3.30 O ATOM 726 CB ASN A 46 27.290 -7.431 12.730 1.00 3.44 C ATOM 727 CG ASN A 46 27.275 -7.426 14.246 1.00 3.89 C ATOM 728 OD1 ASN A 46 26.353 -6.899 14.869 1.00 4.29 O ATOM 729 ND2 ASN A 46 28.303 -8.012 14.850 1.00 4.16 N ATOM 0 H ASN A 46 26.789 -8.290 10.087 1.00 2.98 H new ATOM 0 HA ASN A 46 26.746 -9.537 12.739 1.00 3.34 H new ATOM 0 HB2 ASN A 46 28.322 -7.416 12.380 1.00 3.44 H new ATOM 0 HB3 ASN A 46 26.816 -6.521 12.362 1.00 3.44 H new ATOM 0 HD21 ASN A 46 28.349 -8.037 15.869 1.00 4.16 H new ATOM 0 HD22 ASN A 46 29.046 -8.437 14.295 1.00 4.16 H new ATOM 736 N VAL A 47 24.414 -8.837 13.175 1.00 3.90 N ATOM 737 CA VAL A 47 23.002 -8.561 13.380 1.00 4.21 C ATOM 738 C VAL A 47 22.901 -7.786 14.668 1.00 4.58 C ATOM 739 O VAL A 47 23.301 -8.282 15.723 1.00 4.76 O ATOM 740 CB VAL A 47 22.128 -9.811 13.503 1.00 4.49 C ATOM 741 CG1 VAL A 47 20.693 -9.460 13.143 1.00 4.76 C ATOM 742 CG2 VAL A 47 22.658 -10.942 12.633 1.00 4.27 C ATOM 0 H VAL A 47 24.831 -9.434 13.889 1.00 3.90 H new ATOM 0 HA VAL A 47 22.636 -8.020 12.507 1.00 4.21 H new ATOM 0 HB VAL A 47 22.156 -10.164 14.534 1.00 4.49 H new ATOM 0 HG11 VAL A 47 20.068 -10.349 13.230 1.00 4.76 H new ATOM 0 HG12 VAL A 47 20.325 -8.690 13.822 1.00 4.76 H new ATOM 0 HG13 VAL A 47 20.655 -9.089 12.119 1.00 4.76 H new ATOM 0 HG21 VAL A 47 22.016 -11.816 12.742 1.00 4.27 H new ATOM 0 HG22 VAL A 47 22.666 -10.625 11.590 1.00 4.27 H new ATOM 0 HG23 VAL A 47 23.672 -11.195 12.943 1.00 4.27 H new ATOM 752 N LEU A 48 22.374 -6.584 14.607 1.00 4.75 N ATOM 753 CA LEU A 48 22.324 -5.766 15.812 1.00 5.16 C ATOM 754 C LEU A 48 20.952 -5.251 16.171 1.00 5.98 C ATOM 755 O LEU A 48 20.040 -5.176 15.352 1.00 6.68 O ATOM 756 CB LEU A 48 23.294 -4.585 15.710 1.00 5.21 C ATOM 757 CG LEU A 48 23.510 -4.004 14.311 1.00 4.88 C ATOM 758 CD1 LEU A 48 24.423 -4.905 13.499 1.00 4.66 C ATOM 759 CD2 LEU A 48 22.193 -3.811 13.576 1.00 4.67 C ATOM 0 H LEU A 48 21.984 -6.155 13.768 1.00 4.75 H new ATOM 0 HA LEU A 48 22.620 -6.441 16.615 1.00 5.16 H new ATOM 0 HB2 LEU A 48 22.932 -3.788 16.359 1.00 5.21 H new ATOM 0 HB3 LEU A 48 24.261 -4.901 16.102 1.00 5.21 H new ATOM 0 HG LEU A 48 23.979 -3.027 14.431 1.00 4.88 H new ATOM 0 HD11 LEU A 48 24.567 -4.478 12.506 1.00 4.66 H new ATOM 0 HD12 LEU A 48 25.387 -4.992 14.000 1.00 4.66 H new ATOM 0 HD13 LEU A 48 23.971 -5.893 13.407 1.00 4.66 H new ATOM 0 HD21 LEU A 48 22.386 -3.397 12.586 1.00 4.67 H new ATOM 0 HD22 LEU A 48 21.688 -4.772 13.475 1.00 4.67 H new ATOM 0 HD23 LEU A 48 21.559 -3.126 14.139 1.00 4.67 H new ATOM 771 N ARG A 49 20.855 -4.924 17.448 1.00 6.10 N ATOM 772 CA ARG A 49 19.660 -4.368 18.048 1.00 6.94 C ATOM 773 C ARG A 49 19.945 -2.956 18.561 1.00 7.60 C ATOM 774 O ARG A 49 20.685 -2.767 19.525 1.00 7.80 O ATOM 775 CB ARG A 49 19.175 -5.253 19.198 1.00 7.01 C ATOM 776 CG ARG A 49 20.264 -6.119 19.826 1.00 6.73 C ATOM 777 CD ARG A 49 21.297 -5.290 20.575 1.00 6.74 C ATOM 778 NE ARG A 49 22.291 -6.124 21.246 1.00 6.98 N ATOM 779 CZ ARG A 49 23.268 -5.639 22.004 1.00 7.61 C ATOM 780 NH1 ARG A 49 23.388 -4.331 22.182 1.00 8.05 N ATOM 781 NH2 ARG A 49 24.128 -6.463 22.584 1.00 8.04 N ATOM 0 H ARG A 49 21.623 -5.041 18.109 1.00 6.10 H new ATOM 0 HA ARG A 49 18.878 -4.324 17.290 1.00 6.94 H new ATOM 0 HB2 ARG A 49 18.741 -4.619 19.971 1.00 7.01 H new ATOM 0 HB3 ARG A 49 18.378 -5.900 18.832 1.00 7.01 H new ATOM 0 HG2 ARG A 49 19.808 -6.833 20.511 1.00 6.73 H new ATOM 0 HG3 ARG A 49 20.760 -6.697 19.047 1.00 6.73 H new ATOM 0 HD2 ARG A 49 21.799 -4.620 19.877 1.00 6.74 H new ATOM 0 HD3 ARG A 49 20.793 -4.664 21.311 1.00 6.74 H new ATOM 0 HE ARG A 49 22.232 -7.135 21.126 1.00 6.98 H new ATOM 0 HH11 ARG A 49 22.729 -3.693 21.736 1.00 8.05 H new ATOM 0 HH12 ARG A 49 24.140 -3.962 22.765 1.00 8.05 H new ATOM 0 HH21 ARG A 49 24.040 -7.470 22.449 1.00 8.04 H new ATOM 0 HH22 ARG A 49 24.878 -6.090 23.166 1.00 8.04 H new ATOM 795 N ASP A 50 19.359 -1.968 17.908 1.00 8.17 N ATOM 796 CA ASP A 50 19.566 -0.573 18.293 1.00 8.93 C ATOM 797 C ASP A 50 18.253 0.214 18.315 1.00 10.00 C ATOM 798 O ASP A 50 18.106 1.210 17.608 1.00 10.66 O ATOM 799 CB ASP A 50 20.558 0.095 17.337 1.00 8.92 C ATOM 800 CG ASP A 50 21.116 1.391 17.893 1.00 9.49 C ATOM 801 OD1 ASP A 50 20.462 2.441 17.717 1.00 9.56 O ATOM 802 OD2 ASP A 50 22.205 1.358 18.502 1.00 10.05 O ATOM 0 H ASP A 50 18.737 -2.100 17.110 1.00 8.17 H new ATOM 0 HA ASP A 50 19.973 -0.568 19.304 1.00 8.93 H new ATOM 0 HB2 ASP A 50 21.379 -0.592 17.132 1.00 8.92 H new ATOM 0 HB3 ASP A 50 20.064 0.294 16.386 1.00 8.92 H new ATOM 807 N ARG A 51 17.304 -0.245 19.129 1.00 10.35 N ATOM 808 CA ARG A 51 16.005 0.420 19.269 1.00 11.49 C ATOM 809 C ARG A 51 15.227 0.460 17.950 1.00 12.18 C ATOM 810 O ARG A 51 14.095 0.946 17.910 1.00 13.08 O ATOM 811 CB ARG A 51 16.196 1.845 19.796 1.00 11.98 C ATOM 812 CG ARG A 51 16.882 1.906 21.152 1.00 11.65 C ATOM 813 CD ARG A 51 17.180 3.339 21.563 1.00 12.32 C ATOM 814 NE ARG A 51 15.962 4.129 21.725 1.00 13.34 N ATOM 815 CZ ARG A 51 15.957 5.435 21.978 1.00 14.19 C ATOM 816 NH1 ARG A 51 17.101 6.099 22.084 1.00 14.21 N ATOM 817 NH2 ARG A 51 14.806 6.079 22.125 1.00 15.15 N ATOM 0 H ARG A 51 17.409 -1.080 19.706 1.00 10.35 H new ATOM 0 HA ARG A 51 15.421 -0.164 19.980 1.00 11.49 H new ATOM 0 HB2 ARG A 51 16.783 2.414 19.075 1.00 11.98 H new ATOM 0 HB3 ARG A 51 15.223 2.330 19.868 1.00 11.98 H new ATOM 0 HG2 ARG A 51 16.247 1.436 21.903 1.00 11.65 H new ATOM 0 HG3 ARG A 51 17.810 1.336 21.117 1.00 11.65 H new ATOM 0 HD2 ARG A 51 17.738 3.338 22.499 1.00 12.32 H new ATOM 0 HD3 ARG A 51 17.817 3.806 20.812 1.00 12.32 H new ATOM 0 HE ARG A 51 15.064 3.652 21.639 1.00 13.34 H new ATOM 0 HH11 ARG A 51 17.988 5.608 21.971 1.00 14.21 H new ATOM 0 HH12 ARG A 51 17.093 7.100 22.278 1.00 14.21 H new ATOM 0 HH21 ARG A 51 13.924 5.573 22.044 1.00 15.15 H new ATOM 0 HH22 ARG A 51 14.803 7.080 22.319 1.00 15.15 H new ATOM 831 N SER A 52 15.829 -0.049 16.879 1.00 11.87 N ATOM 832 CA SER A 52 15.185 -0.064 15.566 1.00 12.68 C ATOM 833 C SER A 52 14.722 1.332 15.161 1.00 13.26 C ATOM 834 O SER A 52 13.523 1.603 15.093 1.00 14.27 O ATOM 835 CB SER A 52 13.996 -1.026 15.564 1.00 13.39 C ATOM 836 OG SER A 52 14.427 -2.371 15.667 1.00 13.55 O ATOM 0 H SER A 52 16.763 -0.458 16.893 1.00 11.87 H new ATOM 0 HA SER A 52 15.923 -0.405 14.840 1.00 12.68 H new ATOM 0 HB2 SER A 52 13.332 -0.789 16.395 1.00 13.39 H new ATOM 0 HB3 SER A 52 13.420 -0.895 14.648 1.00 13.39 H new ATOM 0 HG SER A 52 13.655 -2.949 15.841 1.00 13.55 H new ATOM 842 N GLN A 53 15.676 2.216 14.891 1.00 12.75 N ATOM 843 CA GLN A 53 15.358 3.579 14.481 1.00 13.40 C ATOM 844 C GLN A 53 15.787 3.796 13.035 1.00 13.68 C ATOM 845 O GLN A 53 15.993 2.830 12.298 1.00 13.65 O ATOM 846 CB GLN A 53 16.045 4.587 15.406 1.00 13.00 C ATOM 847 CG GLN A 53 16.222 4.077 16.827 1.00 12.36 C ATOM 848 CD GLN A 53 16.907 5.088 17.729 1.00 12.33 C ATOM 849 OE1 GLN A 53 18.231 5.016 17.799 1.00 12.42 O flip ATOM 850 NE2 GLN A 53 16.252 5.920 18.357 1.00 12.38 N flip ATOM 0 H GLN A 53 16.674 2.014 14.948 1.00 12.75 H new ATOM 0 HA GLN A 53 14.281 3.731 14.553 1.00 13.40 H new ATOM 0 HB2 GLN A 53 17.022 4.840 14.994 1.00 13.00 H new ATOM 0 HB3 GLN A 53 15.460 5.507 15.428 1.00 13.00 H new ATOM 0 HG2 GLN A 53 15.246 3.827 17.243 1.00 12.36 H new ATOM 0 HG3 GLN A 53 16.806 3.157 16.809 1.00 12.36 H new ATOM 0 HE21 GLN A 53 15.236 5.938 18.272 1.00 12.38 H new ATOM 0 HE22 GLN A 53 16.726 6.591 18.962 1.00 12.38 H new ATOM 859 N ASN A 54 15.925 5.050 12.623 1.00 14.10 N ATOM 860 CA ASN A 54 16.336 5.340 11.256 1.00 14.53 C ATOM 861 C ASN A 54 17.859 5.405 11.138 1.00 13.85 C ATOM 862 O ASN A 54 18.441 4.710 10.303 1.00 13.42 O ATOM 863 CB ASN A 54 15.688 6.632 10.747 1.00 15.46 C ATOM 864 CG ASN A 54 14.191 6.493 10.541 1.00 16.16 C ATOM 865 OD1 ASN A 54 13.751 5.296 10.170 1.00 16.77 O flip ATOM 866 ND2 ASN A 54 13.438 7.453 10.710 1.00 16.22 N flip ATOM 0 H ASN A 54 15.761 5.871 13.206 1.00 14.10 H new ATOM 0 HA ASN A 54 15.989 4.522 10.625 1.00 14.53 H new ATOM 0 HB2 ASN A 54 15.880 7.435 11.459 1.00 15.46 H new ATOM 0 HB3 ASN A 54 16.155 6.922 9.806 1.00 15.46 H new ATOM 0 HD21 ASN A 54 13.818 8.355 10.995 1.00 16.22 H new ATOM 0 HD22 ASN A 54 12.434 7.346 10.565 1.00 16.22 H new ATOM 873 N PRO A 55 18.534 6.233 11.960 1.00 13.90 N ATOM 874 CA PRO A 55 19.999 6.333 11.934 1.00 13.47 C ATOM 875 C PRO A 55 20.715 4.977 12.058 1.00 12.33 C ATOM 876 O PRO A 55 21.745 4.765 11.418 1.00 11.94 O ATOM 877 CB PRO A 55 20.319 7.212 13.145 1.00 13.78 C ATOM 878 CG PRO A 55 19.095 8.028 13.357 1.00 14.58 C ATOM 879 CD PRO A 55 17.941 7.157 12.954 1.00 14.57 C ATOM 0 HA PRO A 55 20.345 6.735 10.981 1.00 13.47 H new ATOM 0 HB2 PRO A 55 20.548 6.608 14.023 1.00 13.78 H new ATOM 0 HB3 PRO A 55 21.187 7.843 12.957 1.00 13.78 H new ATOM 0 HG2 PRO A 55 19.007 8.335 14.399 1.00 14.58 H new ATOM 0 HG3 PRO A 55 19.124 8.938 12.758 1.00 14.58 H new ATOM 0 HD2 PRO A 55 17.528 6.618 13.807 1.00 14.57 H new ATOM 0 HD3 PRO A 55 17.128 7.742 12.523 1.00 14.57 H new ATOM 887 N PRO A 56 20.191 4.036 12.877 1.00 11.90 N ATOM 888 CA PRO A 56 20.803 2.735 13.092 1.00 10.89 C ATOM 889 C PRO A 56 20.197 1.611 12.250 1.00 10.43 C ATOM 890 O PRO A 56 20.920 0.901 11.552 1.00 10.34 O ATOM 891 CB PRO A 56 20.518 2.506 14.570 1.00 11.10 C ATOM 892 CG PRO A 56 19.219 3.203 14.825 1.00 12.06 C ATOM 893 CD PRO A 56 18.975 4.149 13.679 1.00 12.52 C ATOM 0 HA PRO A 56 21.855 2.725 12.807 1.00 10.89 H new ATOM 0 HB2 PRO A 56 20.447 1.443 14.798 1.00 11.10 H new ATOM 0 HB3 PRO A 56 21.314 2.913 15.193 1.00 11.10 H new ATOM 0 HG2 PRO A 56 18.406 2.481 14.904 1.00 12.06 H new ATOM 0 HG3 PRO A 56 19.256 3.747 15.769 1.00 12.06 H new ATOM 0 HD2 PRO A 56 18.090 3.868 13.108 1.00 12.52 H new ATOM 0 HD3 PRO A 56 18.818 5.170 14.028 1.00 12.52 H new ATOM 901 N GLN A 57 18.875 1.446 12.330 1.00 10.30 N ATOM 902 CA GLN A 57 18.186 0.387 11.592 1.00 10.00 C ATOM 903 C GLN A 57 18.619 -0.977 12.117 1.00 8.88 C ATOM 904 O GLN A 57 19.711 -1.455 11.808 1.00 8.54 O ATOM 905 CB GLN A 57 18.458 0.491 10.091 1.00 10.45 C ATOM 906 CG GLN A 57 17.743 1.652 9.422 1.00 11.57 C ATOM 907 CD GLN A 57 16.235 1.491 9.435 1.00 12.05 C ATOM 908 OE1 GLN A 57 15.519 2.609 9.461 1.00 11.79 O flip ATOM 909 NE2 GLN A 57 15.719 0.372 9.421 1.00 12.91 N flip ATOM 0 H GLN A 57 18.262 2.031 12.897 1.00 10.30 H new ATOM 0 HA GLN A 57 17.113 0.505 11.745 1.00 10.00 H new ATOM 0 HB2 GLN A 57 19.531 0.596 9.931 1.00 10.45 H new ATOM 0 HB3 GLN A 57 18.153 -0.438 9.610 1.00 10.45 H new ATOM 0 HG2 GLN A 57 18.010 2.579 9.928 1.00 11.57 H new ATOM 0 HG3 GLN A 57 18.087 1.741 8.391 1.00 11.57 H new ATOM 0 HE21 GLN A 57 16.308 -0.461 9.401 1.00 12.91 H new ATOM 0 HE22 GLN A 57 14.703 0.279 9.429 1.00 12.91 H new ATOM 918 N SER A 58 17.751 -1.601 12.906 1.00 8.48 N ATOM 919 CA SER A 58 18.050 -2.895 13.500 1.00 7.48 C ATOM 920 C SER A 58 16.849 -3.825 13.431 1.00 7.24 C ATOM 921 O SER A 58 15.799 -3.465 12.897 1.00 7.69 O ATOM 922 CB SER A 58 18.469 -2.710 14.955 1.00 7.67 C ATOM 923 OG SER A 58 17.486 -1.994 15.680 1.00 7.71 O ATOM 0 H SER A 58 16.833 -1.229 13.148 1.00 8.48 H new ATOM 0 HA SER A 58 18.865 -3.346 12.934 1.00 7.48 H new ATOM 0 HB2 SER A 58 18.629 -3.684 15.417 1.00 7.67 H new ATOM 0 HB3 SER A 58 19.418 -2.176 14.999 1.00 7.67 H new ATOM 0 HG SER A 58 16.617 -2.435 15.576 1.00 7.71 H new ATOM 929 N LYS A 59 17.018 -5.020 13.987 1.00 6.67 N ATOM 930 CA LYS A 59 15.965 -6.026 14.006 1.00 6.51 C ATOM 931 C LYS A 59 15.274 -6.129 12.665 1.00 6.29 C ATOM 932 O LYS A 59 14.169 -5.618 12.467 1.00 6.35 O ATOM 933 CB LYS A 59 14.965 -5.733 15.110 1.00 6.45 C ATOM 934 CG LYS A 59 15.415 -6.300 16.433 1.00 6.21 C ATOM 935 CD LYS A 59 16.492 -5.432 17.070 1.00 6.05 C ATOM 936 CE LYS A 59 15.876 -4.227 17.762 1.00 6.48 C ATOM 937 NZ LYS A 59 16.903 -3.276 18.268 1.00 6.59 N ATOM 0 H LYS A 59 17.885 -5.317 14.435 1.00 6.67 H new ATOM 0 HA LYS A 59 16.429 -6.991 14.210 1.00 6.51 H new ATOM 0 HB2 LYS A 59 14.830 -4.655 15.203 1.00 6.45 H new ATOM 0 HB3 LYS A 59 13.995 -6.154 14.844 1.00 6.45 H new ATOM 0 HG2 LYS A 59 14.562 -6.377 17.107 1.00 6.21 H new ATOM 0 HG3 LYS A 59 15.798 -7.310 16.287 1.00 6.21 H new ATOM 0 HD2 LYS A 59 17.060 -6.020 17.791 1.00 6.05 H new ATOM 0 HD3 LYS A 59 17.195 -5.098 16.307 1.00 6.05 H new ATOM 0 HE2 LYS A 59 15.217 -3.709 17.065 1.00 6.48 H new ATOM 0 HE3 LYS A 59 15.258 -4.566 18.593 1.00 6.48 H new ATOM 0 HZ1 LYS A 59 16.433 -2.464 18.716 1.00 6.59 H new ATOM 0 HZ2 LYS A 59 17.506 -3.756 18.966 1.00 6.59 H new ATOM 0 HZ3 LYS A 59 17.488 -2.943 17.475 1.00 6.59 H new ATOM 951 N GLY A 60 15.946 -6.796 11.751 1.00 6.22 N ATOM 952 CA GLY A 60 15.425 -6.972 10.422 1.00 6.09 C ATOM 953 C GLY A 60 16.483 -6.653 9.396 1.00 5.44 C ATOM 954 O GLY A 60 16.404 -7.077 8.242 1.00 5.15 O ATOM 0 H GLY A 60 16.858 -7.225 11.910 1.00 6.22 H new ATOM 0 HA2 GLY A 60 15.081 -7.998 10.292 1.00 6.09 H new ATOM 0 HA3 GLY A 60 14.560 -6.325 10.275 1.00 6.09 H new ATOM 958 N CYS A 61 17.489 -5.907 9.846 1.00 5.25 N ATOM 959 CA CYS A 61 18.606 -5.508 9.012 1.00 4.69 C ATOM 960 C CYS A 61 19.931 -5.936 9.645 1.00 4.28 C ATOM 961 O CYS A 61 20.090 -5.928 10.866 1.00 4.52 O ATOM 962 CB CYS A 61 18.589 -3.995 8.799 1.00 4.94 C ATOM 963 SG CYS A 61 17.074 -3.375 8.032 1.00 5.62 S ATOM 0 H CYS A 61 17.547 -5.564 10.805 1.00 5.25 H new ATOM 0 HA CYS A 61 18.510 -6.003 8.046 1.00 4.69 H new ATOM 0 HB2 CYS A 61 18.724 -3.502 9.762 1.00 4.94 H new ATOM 0 HB3 CYS A 61 19.439 -3.717 8.176 1.00 4.94 H new ATOM 0 HG CYS A 61 17.154 -2.085 7.895 1.00 5.62 H new ATOM 969 N CYS A 62 20.867 -6.309 8.789 1.00 3.72 N ATOM 970 CA CYS A 62 22.196 -6.764 9.192 1.00 3.34 C ATOM 971 C CYS A 62 23.194 -6.290 8.140 1.00 2.85 C ATOM 972 O CYS A 62 22.815 -6.111 6.988 1.00 2.73 O ATOM 973 CB CYS A 62 22.227 -8.291 9.311 1.00 3.28 C ATOM 974 SG CYS A 62 23.187 -9.122 8.021 1.00 2.98 S ATOM 0 H CYS A 62 20.728 -6.306 7.779 1.00 3.72 H new ATOM 0 HA CYS A 62 22.454 -6.352 10.168 1.00 3.34 H new ATOM 0 HB2 CYS A 62 22.640 -8.559 10.284 1.00 3.28 H new ATOM 0 HB3 CYS A 62 21.204 -8.666 9.284 1.00 3.28 H new ATOM 0 HG CYS A 62 23.689 -10.223 8.495 1.00 2.98 H new ATOM 980 N PHE A 63 24.458 -6.086 8.495 1.00 2.68 N ATOM 981 CA PHE A 63 25.413 -5.598 7.499 1.00 2.38 C ATOM 982 C PHE A 63 26.542 -6.592 7.276 1.00 2.10 C ATOM 983 O PHE A 63 27.007 -7.260 8.199 1.00 2.27 O ATOM 984 CB PHE A 63 25.977 -4.228 7.891 1.00 2.72 C ATOM 985 CG PHE A 63 26.794 -4.228 9.154 1.00 3.01 C ATOM 986 CD1 PHE A 63 28.137 -4.574 9.124 1.00 3.06 C ATOM 987 CD2 PHE A 63 26.226 -3.873 10.366 1.00 3.36 C ATOM 988 CE1 PHE A 63 28.894 -4.567 10.279 1.00 3.39 C ATOM 989 CE2 PHE A 63 26.980 -3.866 11.525 1.00 3.65 C ATOM 990 CZ PHE A 63 28.316 -4.214 11.481 1.00 3.65 C ATOM 0 H PHE A 63 24.838 -6.243 9.428 1.00 2.68 H new ATOM 0 HA PHE A 63 24.869 -5.487 6.561 1.00 2.38 H new ATOM 0 HB2 PHE A 63 26.595 -3.856 7.074 1.00 2.72 H new ATOM 0 HB3 PHE A 63 25.149 -3.529 8.009 1.00 2.72 H new ATOM 0 HD1 PHE A 63 28.596 -4.852 8.187 1.00 3.06 H new ATOM 0 HD2 PHE A 63 25.182 -3.598 10.406 1.00 3.36 H new ATOM 0 HE1 PHE A 63 29.939 -4.838 10.241 1.00 3.39 H new ATOM 0 HE2 PHE A 63 26.525 -3.589 12.464 1.00 3.65 H new ATOM 0 HZ PHE A 63 28.907 -4.210 12.385 1.00 3.65 H new ATOM 1000 N VAL A 64 26.965 -6.670 6.018 1.00 1.83 N ATOM 1001 CA VAL A 64 27.995 -7.600 5.591 1.00 1.80 C ATOM 1002 C VAL A 64 29.166 -6.896 4.905 1.00 1.98 C ATOM 1003 O VAL A 64 28.991 -5.882 4.233 1.00 2.06 O ATOM 1004 CB VAL A 64 27.403 -8.622 4.602 1.00 1.69 C ATOM 1005 CG1 VAL A 64 28.418 -9.693 4.256 1.00 1.96 C ATOM 1006 CG2 VAL A 64 26.129 -9.235 5.158 1.00 2.19 C ATOM 0 H VAL A 64 26.599 -6.086 5.266 1.00 1.83 H new ATOM 0 HA VAL A 64 28.365 -8.094 6.490 1.00 1.80 H new ATOM 0 HB VAL A 64 27.149 -8.095 3.682 1.00 1.69 H new ATOM 0 HG11 VAL A 64 27.975 -10.402 3.556 1.00 1.96 H new ATOM 0 HG12 VAL A 64 29.293 -9.231 3.799 1.00 1.96 H new ATOM 0 HG13 VAL A 64 28.717 -10.218 5.163 1.00 1.96 H new ATOM 0 HG21 VAL A 64 25.729 -9.954 4.443 1.00 2.19 H new ATOM 0 HG22 VAL A 64 26.349 -9.742 6.097 1.00 2.19 H new ATOM 0 HG23 VAL A 64 25.394 -8.450 5.333 1.00 2.19 H new ATOM 1016 N THR A 65 30.358 -7.452 5.093 1.00 2.26 N ATOM 1017 CA THR A 65 31.567 -6.925 4.480 1.00 2.63 C ATOM 1018 C THR A 65 32.227 -8.032 3.669 1.00 2.83 C ATOM 1019 O THR A 65 32.395 -9.149 4.164 1.00 2.93 O ATOM 1020 CB THR A 65 32.561 -6.401 5.535 1.00 3.06 C ATOM 1021 OG1 THR A 65 31.921 -5.429 6.370 1.00 3.07 O ATOM 1022 CG2 THR A 65 33.782 -5.779 4.872 1.00 3.50 C ATOM 0 H THR A 65 30.511 -8.277 5.673 1.00 2.26 H new ATOM 0 HA THR A 65 31.291 -6.088 3.839 1.00 2.63 H new ATOM 0 HB THR A 65 32.888 -7.245 6.142 1.00 3.06 H new ATOM 0 HG1 THR A 65 32.558 -5.102 7.039 1.00 3.07 H new ATOM 0 HG21 THR A 65 34.467 -5.417 5.638 1.00 3.50 H new ATOM 0 HG22 THR A 65 34.285 -6.528 4.260 1.00 3.50 H new ATOM 0 HG23 THR A 65 33.469 -4.946 4.242 1.00 3.50 H new ATOM 1030 N PHE A 66 32.611 -7.722 2.434 1.00 3.01 N ATOM 1031 CA PHE A 66 33.209 -8.727 1.555 1.00 3.31 C ATOM 1032 C PHE A 66 34.726 -8.615 1.478 1.00 3.79 C ATOM 1033 O PHE A 66 35.320 -7.640 1.939 1.00 3.94 O ATOM 1034 CB PHE A 66 32.612 -8.618 0.151 1.00 3.27 C ATOM 1035 CG PHE A 66 31.392 -9.472 -0.048 1.00 3.23 C ATOM 1036 CD1 PHE A 66 30.301 -9.358 0.798 1.00 3.49 C ATOM 1037 CD2 PHE A 66 31.340 -10.393 -1.082 1.00 3.34 C ATOM 1038 CE1 PHE A 66 29.180 -10.145 0.615 1.00 3.79 C ATOM 1039 CE2 PHE A 66 30.223 -11.182 -1.269 1.00 3.52 C ATOM 1040 CZ PHE A 66 29.142 -11.058 -0.419 1.00 3.72 C ATOM 0 H PHE A 66 32.521 -6.794 2.021 1.00 3.01 H new ATOM 0 HA PHE A 66 32.978 -9.701 1.986 1.00 3.31 H new ATOM 0 HB2 PHE A 66 32.354 -7.577 -0.046 1.00 3.27 H new ATOM 0 HB3 PHE A 66 33.369 -8.903 -0.580 1.00 3.27 H new ATOM 0 HD1 PHE A 66 30.327 -8.646 1.610 1.00 3.49 H new ATOM 0 HD2 PHE A 66 32.183 -10.495 -1.749 1.00 3.34 H new ATOM 0 HE1 PHE A 66 28.335 -10.046 1.280 1.00 3.79 H new ATOM 0 HE2 PHE A 66 30.195 -11.896 -2.079 1.00 3.52 H new ATOM 0 HZ PHE A 66 28.267 -11.675 -0.563 1.00 3.72 H new ATOM 1050 N TYR A 67 35.343 -9.643 0.892 1.00 4.15 N ATOM 1051 CA TYR A 67 36.791 -9.690 0.730 1.00 4.67 C ATOM 1052 C TYR A 67 37.172 -9.518 -0.740 1.00 4.93 C ATOM 1053 O TYR A 67 38.321 -9.217 -1.066 1.00 5.34 O ATOM 1054 CB TYR A 67 37.337 -11.017 1.265 1.00 5.09 C ATOM 1055 CG TYR A 67 38.840 -11.152 1.160 1.00 5.42 C ATOM 1056 CD1 TYR A 67 39.679 -10.531 2.075 1.00 5.82 C ATOM 1057 CD2 TYR A 67 39.418 -11.902 0.144 1.00 5.58 C ATOM 1058 CE1 TYR A 67 41.053 -10.651 1.981 1.00 6.28 C ATOM 1059 CE2 TYR A 67 40.790 -12.029 0.042 1.00 6.07 C ATOM 1060 CZ TYR A 67 41.603 -11.402 0.963 1.00 6.38 C ATOM 1061 OH TYR A 67 42.970 -11.524 0.866 1.00 6.97 O ATOM 0 H TYR A 67 34.855 -10.458 0.520 1.00 4.15 H new ATOM 0 HA TYR A 67 37.231 -8.871 1.299 1.00 4.67 H new ATOM 0 HB2 TYR A 67 37.045 -11.123 2.310 1.00 5.09 H new ATOM 0 HB3 TYR A 67 36.870 -11.837 0.719 1.00 5.09 H new ATOM 0 HD1 TYR A 67 39.251 -9.944 2.874 1.00 5.82 H new ATOM 0 HD2 TYR A 67 38.784 -12.394 -0.579 1.00 5.58 H new ATOM 0 HE1 TYR A 67 41.692 -10.160 2.700 1.00 6.28 H new ATOM 0 HE2 TYR A 67 41.223 -12.616 -0.754 1.00 6.07 H new ATOM 0 HH TYR A 67 43.194 -12.086 0.095 1.00 6.97 H new ATOM 1071 N THR A 68 36.194 -9.708 -1.622 1.00 4.78 N ATOM 1072 CA THR A 68 36.408 -9.571 -3.056 1.00 5.09 C ATOM 1073 C THR A 68 35.529 -8.460 -3.610 1.00 4.71 C ATOM 1074 O THR A 68 34.393 -8.696 -4.021 1.00 4.43 O ATOM 1075 CB THR A 68 36.102 -10.883 -3.803 1.00 5.46 C ATOM 1076 OG1 THR A 68 34.752 -11.291 -3.546 1.00 5.14 O ATOM 1077 CG2 THR A 68 37.058 -11.987 -3.375 1.00 6.11 C ATOM 0 H THR A 68 35.240 -9.959 -1.364 1.00 4.78 H new ATOM 0 HA THR A 68 37.459 -9.326 -3.210 1.00 5.09 H new ATOM 0 HB THR A 68 36.232 -10.704 -4.870 1.00 5.46 H new ATOM 0 HG1 THR A 68 34.175 -10.500 -3.496 1.00 5.14 H new ATOM 0 HG21 THR A 68 36.822 -12.903 -3.916 1.00 6.11 H new ATOM 0 HG22 THR A 68 38.082 -11.688 -3.598 1.00 6.11 H new ATOM 0 HG23 THR A 68 36.956 -12.162 -2.304 1.00 6.11 H new ATOM 1085 N ARG A 69 36.066 -7.247 -3.616 1.00 4.80 N ATOM 1086 CA ARG A 69 35.332 -6.085 -4.100 1.00 4.60 C ATOM 1087 C ARG A 69 34.813 -6.308 -5.515 1.00 4.68 C ATOM 1088 O ARG A 69 33.696 -5.909 -5.842 1.00 4.42 O ATOM 1089 CB ARG A 69 36.214 -4.830 -4.077 1.00 4.95 C ATOM 1090 CG ARG A 69 37.428 -4.929 -3.164 1.00 5.58 C ATOM 1091 CD ARG A 69 38.651 -5.439 -3.913 1.00 5.81 C ATOM 1092 NE ARG A 69 38.939 -6.840 -3.617 1.00 5.91 N ATOM 1093 CZ ARG A 69 40.074 -7.448 -3.949 1.00 6.49 C ATOM 1094 NH1 ARG A 69 41.029 -6.779 -4.581 1.00 7.00 N ATOM 1095 NH2 ARG A 69 40.257 -8.726 -3.644 1.00 6.63 N ATOM 0 H ARG A 69 37.010 -7.042 -3.290 1.00 4.80 H new ATOM 0 HA ARG A 69 34.483 -5.940 -3.431 1.00 4.60 H new ATOM 0 HB2 ARG A 69 36.554 -4.622 -5.091 1.00 4.95 H new ATOM 0 HB3 ARG A 69 35.607 -3.981 -3.763 1.00 4.95 H new ATOM 0 HG2 ARG A 69 37.644 -3.950 -2.737 1.00 5.58 H new ATOM 0 HG3 ARG A 69 37.205 -5.597 -2.332 1.00 5.58 H new ATOM 0 HD2 ARG A 69 38.493 -5.322 -4.985 1.00 5.81 H new ATOM 0 HD3 ARG A 69 39.515 -4.829 -3.650 1.00 5.81 H new ATOM 0 HE ARG A 69 38.228 -7.383 -3.127 1.00 5.91 H new ATOM 0 HH11 ARG A 69 40.894 -5.795 -4.814 1.00 7.00 H new ATOM 0 HH12 ARG A 69 41.898 -7.248 -4.834 1.00 7.00 H new ATOM 0 HH21 ARG A 69 39.527 -9.243 -3.154 1.00 6.63 H new ATOM 0 HH22 ARG A 69 41.128 -9.192 -3.899 1.00 6.63 H new ATOM 1109 N LYS A 70 35.616 -6.972 -6.341 1.00 5.09 N ATOM 1110 CA LYS A 70 35.232 -7.213 -7.729 1.00 5.26 C ATOM 1111 C LYS A 70 33.886 -7.917 -7.811 1.00 4.89 C ATOM 1112 O LYS A 70 33.001 -7.500 -8.560 1.00 4.81 O ATOM 1113 CB LYS A 70 36.286 -8.042 -8.445 1.00 5.77 C ATOM 1114 CG LYS A 70 36.075 -8.088 -9.948 1.00 5.89 C ATOM 1115 CD LYS A 70 36.285 -6.726 -10.598 1.00 6.19 C ATOM 1116 CE LYS A 70 37.726 -6.257 -10.466 1.00 6.65 C ATOM 1117 NZ LYS A 70 37.912 -4.881 -11.004 1.00 6.82 N ATOM 0 H LYS A 70 36.527 -7.349 -6.078 1.00 5.09 H new ATOM 0 HA LYS A 70 35.150 -6.243 -8.219 1.00 5.26 H new ATOM 0 HB2 LYS A 70 37.272 -7.629 -8.233 1.00 5.77 H new ATOM 0 HB3 LYS A 70 36.274 -9.058 -8.049 1.00 5.77 H new ATOM 0 HG2 LYS A 70 36.763 -8.809 -10.388 1.00 5.89 H new ATOM 0 HG3 LYS A 70 35.065 -8.439 -10.161 1.00 5.89 H new ATOM 0 HD2 LYS A 70 36.015 -6.780 -11.653 1.00 6.19 H new ATOM 0 HD3 LYS A 70 35.621 -5.996 -10.136 1.00 6.19 H new ATOM 0 HE2 LYS A 70 38.021 -6.280 -9.417 1.00 6.65 H new ATOM 0 HE3 LYS A 70 38.383 -6.946 -10.997 1.00 6.65 H new ATOM 0 HZ1 LYS A 70 38.907 -4.598 -10.896 1.00 6.82 H new ATOM 0 HZ2 LYS A 70 37.655 -4.864 -12.012 1.00 6.82 H new ATOM 0 HZ3 LYS A 70 37.304 -4.219 -10.481 1.00 6.82 H new ATOM 1131 N ALA A 71 33.723 -8.968 -7.017 1.00 4.71 N ATOM 1132 CA ALA A 71 32.478 -9.717 -7.005 1.00 4.41 C ATOM 1133 C ALA A 71 31.336 -8.821 -6.557 1.00 3.94 C ATOM 1134 O ALA A 71 30.227 -8.890 -7.088 1.00 3.77 O ATOM 1135 CB ALA A 71 32.594 -10.931 -6.094 1.00 4.40 C ATOM 0 H ALA A 71 34.435 -9.318 -6.376 1.00 4.71 H new ATOM 0 HA ALA A 71 32.271 -10.068 -8.016 1.00 4.41 H new ATOM 0 HB1 ALA A 71 31.652 -11.480 -6.097 1.00 4.40 H new ATOM 0 HB2 ALA A 71 33.393 -11.580 -6.452 1.00 4.40 H new ATOM 0 HB3 ALA A 71 32.820 -10.604 -5.079 1.00 4.40 H new ATOM 1141 N ALA A 72 31.633 -7.952 -5.597 1.00 3.78 N ATOM 1142 CA ALA A 72 30.639 -7.038 -5.060 1.00 3.40 C ATOM 1143 C ALA A 72 30.056 -6.165 -6.157 1.00 3.51 C ATOM 1144 O ALA A 72 28.861 -5.867 -6.154 1.00 3.28 O ATOM 1145 CB ALA A 72 31.252 -6.181 -3.968 1.00 3.39 C ATOM 0 H ALA A 72 32.558 -7.863 -5.176 1.00 3.78 H new ATOM 0 HA ALA A 72 29.828 -7.626 -4.631 1.00 3.40 H new ATOM 0 HB1 ALA A 72 30.498 -5.500 -3.573 1.00 3.39 H new ATOM 0 HB2 ALA A 72 31.618 -6.821 -3.166 1.00 3.39 H new ATOM 0 HB3 ALA A 72 32.081 -5.605 -4.380 1.00 3.39 H new ATOM 1151 N LEU A 73 30.901 -5.767 -7.106 1.00 3.95 N ATOM 1152 CA LEU A 73 30.455 -4.926 -8.204 1.00 4.16 C ATOM 1153 C LEU A 73 29.285 -5.582 -8.918 1.00 4.02 C ATOM 1154 O LEU A 73 28.264 -4.946 -9.180 1.00 3.99 O ATOM 1155 CB LEU A 73 31.602 -4.677 -9.186 1.00 4.66 C ATOM 1156 CG LEU A 73 32.878 -4.103 -8.566 1.00 4.93 C ATOM 1157 CD1 LEU A 73 33.945 -3.908 -9.632 1.00 5.43 C ATOM 1158 CD2 LEU A 73 32.585 -2.788 -7.857 1.00 4.92 C ATOM 0 H LEU A 73 31.890 -6.013 -7.133 1.00 3.95 H new ATOM 0 HA LEU A 73 30.131 -3.967 -7.801 1.00 4.16 H new ATOM 0 HB2 LEU A 73 31.848 -5.618 -9.679 1.00 4.66 H new ATOM 0 HB3 LEU A 73 31.254 -3.993 -9.960 1.00 4.66 H new ATOM 0 HG LEU A 73 33.252 -4.813 -7.829 1.00 4.93 H new ATOM 0 HD11 LEU A 73 34.846 -3.499 -9.175 1.00 5.43 H new ATOM 0 HD12 LEU A 73 34.176 -4.867 -10.095 1.00 5.43 H new ATOM 0 HD13 LEU A 73 33.578 -3.218 -10.392 1.00 5.43 H new ATOM 0 HD21 LEU A 73 33.505 -2.396 -7.423 1.00 4.92 H new ATOM 0 HD22 LEU A 73 32.187 -2.069 -8.573 1.00 4.92 H new ATOM 0 HD23 LEU A 73 31.853 -2.956 -7.067 1.00 4.92 H new ATOM 1170 N GLU A 74 29.427 -6.874 -9.194 1.00 4.00 N ATOM 1171 CA GLU A 74 28.379 -7.619 -9.873 1.00 3.94 C ATOM 1172 C GLU A 74 27.161 -7.717 -8.972 1.00 3.55 C ATOM 1173 O GLU A 74 26.022 -7.659 -9.437 1.00 3.57 O ATOM 1174 CB GLU A 74 28.872 -9.021 -10.249 1.00 4.07 C ATOM 1175 CG GLU A 74 30.386 -9.138 -10.335 1.00 4.42 C ATOM 1176 CD GLU A 74 30.835 -10.403 -11.038 1.00 4.73 C ATOM 1177 OE1 GLU A 74 30.955 -11.447 -10.362 1.00 4.77 O ATOM 1178 OE2 GLU A 74 31.066 -10.351 -12.263 1.00 4.99 O ATOM 0 H GLU A 74 30.254 -7.423 -8.958 1.00 4.00 H new ATOM 0 HA GLU A 74 28.109 -7.094 -10.789 1.00 3.94 H new ATOM 0 HB2 GLU A 74 28.503 -9.735 -9.513 1.00 4.07 H new ATOM 0 HB3 GLU A 74 28.440 -9.302 -11.210 1.00 4.07 H new ATOM 0 HG2 GLU A 74 30.784 -8.272 -10.864 1.00 4.42 H new ATOM 0 HG3 GLU A 74 30.806 -9.117 -9.329 1.00 4.42 H new ATOM 1185 N ALA A 75 27.416 -7.834 -7.672 1.00 3.24 N ATOM 1186 CA ALA A 75 26.350 -7.941 -6.696 1.00 2.89 C ATOM 1187 C ALA A 75 25.439 -6.729 -6.771 1.00 2.95 C ATOM 1188 O ALA A 75 24.230 -6.847 -6.600 1.00 2.87 O ATOM 1189 CB ALA A 75 26.920 -8.095 -5.294 1.00 2.61 C ATOM 0 H ALA A 75 28.355 -7.857 -7.275 1.00 3.24 H new ATOM 0 HA ALA A 75 25.762 -8.830 -6.925 1.00 2.89 H new ATOM 0 HB1 ALA A 75 26.104 -8.174 -4.576 1.00 2.61 H new ATOM 0 HB2 ALA A 75 27.533 -8.995 -5.247 1.00 2.61 H new ATOM 0 HB3 ALA A 75 27.533 -7.226 -5.053 1.00 2.61 H new ATOM 1195 N GLN A 76 26.022 -5.565 -7.053 1.00 3.20 N ATOM 1196 CA GLN A 76 25.243 -4.341 -7.143 1.00 3.38 C ATOM 1197 C GLN A 76 24.119 -4.516 -8.153 1.00 3.55 C ATOM 1198 O GLN A 76 22.964 -4.186 -7.880 1.00 3.58 O ATOM 1199 CB GLN A 76 26.134 -3.163 -7.547 1.00 3.75 C ATOM 1200 CG GLN A 76 27.350 -2.982 -6.652 1.00 3.74 C ATOM 1201 CD GLN A 76 26.987 -2.859 -5.184 1.00 3.45 C ATOM 1202 OE1 GLN A 76 26.741 -1.762 -4.684 1.00 3.63 O ATOM 1203 NE2 GLN A 76 26.956 -3.989 -4.487 1.00 3.07 N ATOM 0 H GLN A 76 27.021 -5.448 -7.221 1.00 3.20 H new ATOM 0 HA GLN A 76 24.814 -4.129 -6.164 1.00 3.38 H new ATOM 0 HB2 GLN A 76 26.468 -3.307 -8.574 1.00 3.75 H new ATOM 0 HB3 GLN A 76 25.542 -2.248 -7.530 1.00 3.75 H new ATOM 0 HG2 GLN A 76 28.023 -3.829 -6.785 1.00 3.74 H new ATOM 0 HG3 GLN A 76 27.895 -2.090 -6.963 1.00 3.74 H new ATOM 0 HE21 GLN A 76 27.167 -4.876 -4.944 1.00 3.07 H new ATOM 0 HE22 GLN A 76 26.721 -3.970 -3.495 1.00 3.07 H new ATOM 1212 N ASN A 77 24.461 -5.079 -9.305 1.00 3.74 N ATOM 1213 CA ASN A 77 23.487 -5.309 -10.358 1.00 3.96 C ATOM 1214 C ASN A 77 22.523 -6.409 -9.941 1.00 3.80 C ATOM 1215 O ASN A 77 21.376 -6.455 -10.389 1.00 3.98 O ATOM 1216 CB ASN A 77 24.206 -5.694 -11.653 1.00 4.24 C ATOM 1217 CG ASN A 77 24.805 -4.492 -12.359 1.00 4.49 C ATOM 1218 OD1 ASN A 77 25.173 -3.504 -11.724 1.00 4.84 O ATOM 1219 ND2 ASN A 77 24.906 -4.572 -13.681 1.00 4.70 N ATOM 0 H ASN A 77 25.408 -5.384 -9.532 1.00 3.74 H new ATOM 0 HA ASN A 77 22.920 -4.394 -10.529 1.00 3.96 H new ATOM 0 HB2 ASN A 77 24.996 -6.411 -11.428 1.00 4.24 H new ATOM 0 HB3 ASN A 77 23.504 -6.192 -12.321 1.00 4.24 H new ATOM 0 HD21 ASN A 77 25.301 -3.795 -14.210 1.00 4.70 H new ATOM 0 HD22 ASN A 77 24.588 -5.411 -14.167 1.00 4.70 H new ATOM 1226 N ALA A 78 23.006 -7.292 -9.077 1.00 3.52 N ATOM 1227 CA ALA A 78 22.212 -8.403 -8.580 1.00 3.42 C ATOM 1228 C ALA A 78 21.203 -7.963 -7.521 1.00 3.30 C ATOM 1229 O ALA A 78 20.184 -8.624 -7.331 1.00 3.41 O ATOM 1230 CB ALA A 78 23.123 -9.484 -8.020 1.00 3.23 C ATOM 0 H ALA A 78 23.955 -7.257 -8.704 1.00 3.52 H new ATOM 0 HA ALA A 78 21.645 -8.802 -9.421 1.00 3.42 H new ATOM 0 HB1 ALA A 78 22.519 -10.313 -7.650 1.00 3.23 H new ATOM 0 HB2 ALA A 78 23.788 -9.842 -8.806 1.00 3.23 H new ATOM 0 HB3 ALA A 78 23.715 -9.073 -7.202 1.00 3.23 H new ATOM 1236 N LEU A 79 21.477 -6.852 -6.831 1.00 3.16 N ATOM 1237 CA LEU A 79 20.569 -6.391 -5.784 1.00 3.14 C ATOM 1238 C LEU A 79 20.258 -4.900 -5.881 1.00 3.35 C ATOM 1239 O LEU A 79 19.217 -4.516 -6.416 1.00 3.66 O ATOM 1240 CB LEU A 79 21.129 -6.728 -4.394 1.00 2.85 C ATOM 1241 CG LEU A 79 22.625 -6.467 -4.195 1.00 2.57 C ATOM 1242 CD1 LEU A 79 22.847 -5.461 -3.076 1.00 2.41 C ATOM 1243 CD2 LEU A 79 23.355 -7.766 -3.892 1.00 2.50 C ATOM 0 H LEU A 79 22.301 -6.269 -6.975 1.00 3.16 H new ATOM 0 HA LEU A 79 19.629 -6.922 -5.934 1.00 3.14 H new ATOM 0 HB2 LEU A 79 20.577 -6.151 -3.652 1.00 2.85 H new ATOM 0 HB3 LEU A 79 20.933 -7.781 -4.190 1.00 2.85 H new ATOM 0 HG LEU A 79 23.027 -6.050 -5.118 1.00 2.57 H new ATOM 0 HD11 LEU A 79 23.916 -5.288 -2.949 1.00 2.41 H new ATOM 0 HD12 LEU A 79 22.355 -4.522 -3.328 1.00 2.41 H new ATOM 0 HD13 LEU A 79 22.430 -5.851 -2.148 1.00 2.41 H new ATOM 0 HD21 LEU A 79 24.417 -7.563 -3.753 1.00 2.50 H new ATOM 0 HD22 LEU A 79 22.948 -8.208 -2.983 1.00 2.50 H new ATOM 0 HD23 LEU A 79 23.224 -8.459 -4.723 1.00 2.50 H new ATOM 1255 N HIS A 80 21.150 -4.066 -5.343 1.00 3.27 N ATOM 1256 CA HIS A 80 20.967 -2.620 -5.342 1.00 3.53 C ATOM 1257 C HIS A 80 19.958 -2.236 -4.261 1.00 3.49 C ATOM 1258 O HIS A 80 19.695 -3.021 -3.350 1.00 3.37 O ATOM 1259 CB HIS A 80 20.517 -2.111 -6.717 1.00 3.94 C ATOM 1260 CG HIS A 80 20.952 -0.709 -7.010 1.00 4.25 C ATOM 1261 ND1 HIS A 80 20.232 0.414 -7.240 1.00 4.68 N flip ATOM 1262 CD2 HIS A 80 22.277 -0.333 -7.086 1.00 4.44 C flip ATOM 1263 CE1 HIS A 80 21.125 1.436 -7.448 1.00 4.89 C flip ATOM 1264 NE2 HIS A 80 22.352 0.959 -7.349 1.00 4.71 N flip ATOM 0 H HIS A 80 22.014 -4.376 -4.899 1.00 3.27 H new ATOM 0 HA HIS A 80 21.924 -2.147 -5.123 1.00 3.53 H new ATOM 0 HB2 HIS A 80 20.912 -2.773 -7.487 1.00 3.94 H new ATOM 0 HB3 HIS A 80 19.430 -2.165 -6.777 1.00 3.94 H new ATOM 0 HD2 HIS A 80 23.122 -0.993 -6.951 1.00 4.44 H new ATOM 0 HE1 HIS A 80 20.866 2.463 -7.658 1.00 4.89 H new ATOM 0 HE2 HIS A 80 23.212 1.497 -7.457 1.00 4.71 H new ATOM 1273 N ASN A 81 19.393 -1.040 -4.359 1.00 3.77 N ATOM 1274 CA ASN A 81 18.432 -0.571 -3.368 1.00 3.89 C ATOM 1275 C ASN A 81 17.258 -1.535 -3.195 1.00 3.88 C ATOM 1276 O ASN A 81 16.598 -1.527 -2.155 1.00 4.01 O ATOM 1277 CB ASN A 81 17.915 0.817 -3.738 1.00 4.31 C ATOM 1278 CG ASN A 81 17.408 0.892 -5.166 1.00 4.75 C ATOM 1279 OD1 ASN A 81 16.989 -0.110 -5.742 1.00 4.86 O ATOM 1280 ND2 ASN A 81 17.443 2.087 -5.743 1.00 5.40 N ATOM 0 H ASN A 81 19.582 -0.378 -5.112 1.00 3.77 H new ATOM 0 HA ASN A 81 18.959 -0.520 -2.415 1.00 3.89 H new ATOM 0 HB2 ASN A 81 17.111 1.094 -3.056 1.00 4.31 H new ATOM 0 HB3 ASN A 81 18.714 1.546 -3.602 1.00 4.31 H new ATOM 0 HD21 ASN A 81 17.114 2.200 -6.702 1.00 5.40 H new ATOM 0 HD22 ASN A 81 17.799 2.892 -5.228 1.00 5.40 H new ATOM 1287 N MET A 82 16.992 -2.370 -4.199 1.00 3.89 N ATOM 1288 CA MET A 82 15.880 -3.316 -4.102 1.00 4.02 C ATOM 1289 C MET A 82 16.194 -4.659 -4.755 1.00 3.90 C ATOM 1290 O MET A 82 16.535 -4.736 -5.935 1.00 4.17 O ATOM 1291 CB MET A 82 14.618 -2.720 -4.734 1.00 4.60 C ATOM 1292 CG MET A 82 14.790 -2.318 -6.191 1.00 4.89 C ATOM 1293 SD MET A 82 13.224 -1.924 -6.992 1.00 5.67 S ATOM 1294 CE MET A 82 12.441 -3.534 -7.006 1.00 5.71 C ATOM 0 H MET A 82 17.518 -2.412 -5.072 1.00 3.89 H new ATOM 0 HA MET A 82 15.714 -3.498 -3.040 1.00 4.02 H new ATOM 0 HB2 MET A 82 13.809 -3.447 -4.661 1.00 4.60 H new ATOM 0 HB3 MET A 82 14.314 -1.845 -4.159 1.00 4.60 H new ATOM 0 HG2 MET A 82 15.451 -1.454 -6.250 1.00 4.89 H new ATOM 0 HG3 MET A 82 15.277 -3.129 -6.733 1.00 4.89 H new ATOM 0 HE1 MET A 82 11.701 -3.572 -7.805 1.00 5.71 H new ATOM 0 HE2 MET A 82 13.195 -4.304 -7.173 1.00 5.71 H new ATOM 0 HE3 MET A 82 11.950 -3.708 -6.048 1.00 5.71 H new ATOM 1304 N LYS A 83 16.080 -5.717 -3.958 1.00 3.68 N ATOM 1305 CA LYS A 83 16.307 -7.082 -4.422 1.00 3.64 C ATOM 1306 C LYS A 83 15.410 -8.043 -3.662 1.00 3.70 C ATOM 1307 O LYS A 83 15.109 -7.812 -2.493 1.00 3.74 O ATOM 1308 CB LYS A 83 17.760 -7.497 -4.244 1.00 3.51 C ATOM 1309 CG LYS A 83 18.086 -8.792 -4.968 1.00 3.75 C ATOM 1310 CD LYS A 83 19.006 -9.674 -4.148 1.00 3.35 C ATOM 1311 CE LYS A 83 19.078 -11.082 -4.716 1.00 3.68 C ATOM 1312 NZ LYS A 83 19.968 -11.964 -3.910 1.00 4.16 N ATOM 0 H LYS A 83 15.828 -5.652 -2.972 1.00 3.68 H new ATOM 0 HA LYS A 83 16.070 -7.116 -5.485 1.00 3.64 H new ATOM 0 HB2 LYS A 83 18.409 -6.704 -4.614 1.00 3.51 H new ATOM 0 HB3 LYS A 83 17.974 -7.614 -3.182 1.00 3.51 H new ATOM 0 HG2 LYS A 83 17.163 -9.330 -5.185 1.00 3.75 H new ATOM 0 HG3 LYS A 83 18.556 -8.566 -5.925 1.00 3.75 H new ATOM 0 HD2 LYS A 83 20.005 -9.238 -4.125 1.00 3.35 H new ATOM 0 HD3 LYS A 83 18.652 -9.713 -3.118 1.00 3.35 H new ATOM 0 HE2 LYS A 83 18.077 -11.511 -4.750 1.00 3.68 H new ATOM 0 HE3 LYS A 83 19.442 -11.041 -5.743 1.00 3.68 H new ATOM 0 HZ1 LYS A 83 20.814 -12.205 -4.465 1.00 4.16 H new ATOM 0 HZ2 LYS A 83 20.254 -11.468 -3.041 1.00 4.16 H new ATOM 0 HZ3 LYS A 83 19.459 -12.836 -3.660 1.00 4.16 H new ATOM 1326 N VAL A 84 14.967 -9.112 -4.316 1.00 4.00 N ATOM 1327 CA VAL A 84 14.113 -10.080 -3.643 1.00 4.21 C ATOM 1328 C VAL A 84 14.622 -11.512 -3.800 1.00 4.29 C ATOM 1329 O VAL A 84 14.768 -12.023 -4.910 1.00 4.68 O ATOM 1330 CB VAL A 84 12.664 -9.997 -4.166 1.00 4.91 C ATOM 1331 CG1 VAL A 84 12.625 -10.188 -5.674 1.00 5.39 C ATOM 1332 CG2 VAL A 84 11.780 -11.023 -3.470 1.00 5.32 C ATOM 0 H VAL A 84 15.180 -9.326 -5.290 1.00 4.00 H new ATOM 0 HA VAL A 84 14.136 -9.824 -2.584 1.00 4.21 H new ATOM 0 HB VAL A 84 12.276 -9.004 -3.938 1.00 4.91 H new ATOM 0 HG11 VAL A 84 11.594 -10.126 -6.022 1.00 5.39 H new ATOM 0 HG12 VAL A 84 13.218 -9.410 -6.155 1.00 5.39 H new ATOM 0 HG13 VAL A 84 13.035 -11.165 -5.928 1.00 5.39 H new ATOM 0 HG21 VAL A 84 10.763 -10.947 -3.854 1.00 5.32 H new ATOM 0 HG22 VAL A 84 12.166 -12.025 -3.660 1.00 5.32 H new ATOM 0 HG23 VAL A 84 11.778 -10.833 -2.397 1.00 5.32 H new ATOM 1342 N LEU A 85 14.902 -12.146 -2.664 1.00 4.15 N ATOM 1343 CA LEU A 85 15.346 -13.536 -2.634 1.00 4.34 C ATOM 1344 C LEU A 85 14.256 -14.400 -1.997 1.00 4.70 C ATOM 1345 O LEU A 85 13.492 -13.908 -1.169 1.00 4.80 O ATOM 1346 CB LEU A 85 16.699 -13.717 -1.925 1.00 4.21 C ATOM 1347 CG LEU A 85 17.039 -12.709 -0.830 1.00 4.11 C ATOM 1348 CD1 LEU A 85 18.002 -13.329 0.169 1.00 3.90 C ATOM 1349 CD2 LEU A 85 17.647 -11.447 -1.424 1.00 4.45 C ATOM 0 H LEU A 85 14.828 -11.713 -1.743 1.00 4.15 H new ATOM 0 HA LEU A 85 15.510 -13.860 -3.662 1.00 4.34 H new ATOM 0 HB2 LEU A 85 16.723 -14.715 -1.488 1.00 4.21 H new ATOM 0 HB3 LEU A 85 17.486 -13.679 -2.678 1.00 4.21 H new ATOM 0 HG LEU A 85 16.116 -12.437 -0.317 1.00 4.11 H new ATOM 0 HD11 LEU A 85 18.238 -12.602 0.946 1.00 3.90 H new ATOM 0 HD12 LEU A 85 17.541 -14.207 0.622 1.00 3.90 H new ATOM 0 HD13 LEU A 85 18.918 -13.623 -0.343 1.00 3.90 H new ATOM 0 HD21 LEU A 85 17.881 -10.744 -0.624 1.00 4.45 H new ATOM 0 HD22 LEU A 85 18.560 -11.701 -1.962 1.00 4.45 H new ATOM 0 HD23 LEU A 85 16.936 -10.990 -2.112 1.00 4.45 H new ATOM 1361 N PRO A 86 14.165 -15.688 -2.387 1.00 5.11 N ATOM 1362 CA PRO A 86 13.163 -16.634 -1.911 1.00 5.57 C ATOM 1363 C PRO A 86 12.384 -16.191 -0.667 1.00 5.64 C ATOM 1364 O PRO A 86 11.157 -16.098 -0.710 1.00 5.96 O ATOM 1365 CB PRO A 86 14.027 -17.857 -1.628 1.00 5.85 C ATOM 1366 CG PRO A 86 15.164 -17.768 -2.617 1.00 5.81 C ATOM 1367 CD PRO A 86 15.102 -16.395 -3.259 1.00 5.38 C ATOM 0 HA PRO A 86 12.360 -16.780 -2.633 1.00 5.57 H new ATOM 0 HB2 PRO A 86 14.395 -17.852 -0.602 1.00 5.85 H new ATOM 0 HB3 PRO A 86 13.461 -18.779 -1.759 1.00 5.85 H new ATOM 0 HG2 PRO A 86 16.121 -17.914 -2.116 1.00 5.81 H new ATOM 0 HG3 PRO A 86 15.077 -18.549 -3.372 1.00 5.81 H new ATOM 0 HD2 PRO A 86 16.079 -15.912 -3.283 1.00 5.38 H new ATOM 0 HD3 PRO A 86 14.744 -16.442 -4.288 1.00 5.38 H new ATOM 1375 N GLY A 87 13.082 -15.918 0.437 1.00 5.51 N ATOM 1376 CA GLY A 87 12.400 -15.498 1.646 1.00 5.74 C ATOM 1377 C GLY A 87 11.757 -16.645 2.404 1.00 6.21 C ATOM 1378 O GLY A 87 11.593 -16.573 3.623 1.00 6.52 O ATOM 0 H GLY A 87 14.097 -15.980 0.512 1.00 5.51 H new ATOM 0 HA2 GLY A 87 13.112 -14.994 2.300 1.00 5.74 H new ATOM 0 HA3 GLY A 87 11.633 -14.768 1.387 1.00 5.74 H new ATOM 1382 N MET A 88 11.394 -17.708 1.690 1.00 6.40 N ATOM 1383 CA MET A 88 10.760 -18.868 2.314 1.00 6.91 C ATOM 1384 C MET A 88 11.739 -19.588 3.236 1.00 6.86 C ATOM 1385 O MET A 88 11.820 -19.284 4.427 1.00 7.07 O ATOM 1386 CB MET A 88 10.232 -19.828 1.246 1.00 7.26 C ATOM 1387 CG MET A 88 9.396 -20.966 1.812 1.00 7.46 C ATOM 1388 SD MET A 88 8.780 -22.075 0.533 1.00 7.81 S ATOM 1389 CE MET A 88 7.820 -20.940 -0.466 1.00 8.29 C ATOM 0 H MET A 88 11.527 -17.791 0.682 1.00 6.40 H new ATOM 0 HA MET A 88 9.920 -18.516 2.913 1.00 6.91 H new ATOM 0 HB2 MET A 88 9.631 -19.267 0.530 1.00 7.26 H new ATOM 0 HB3 MET A 88 11.075 -20.246 0.696 1.00 7.26 H new ATOM 0 HG2 MET A 88 9.996 -21.534 2.522 1.00 7.46 H new ATOM 0 HG3 MET A 88 8.553 -20.552 2.366 1.00 7.46 H new ATOM 0 HE1 MET A 88 7.081 -21.497 -1.041 1.00 8.29 H new ATOM 0 HE2 MET A 88 7.312 -20.225 0.182 1.00 8.29 H new ATOM 0 HE3 MET A 88 8.482 -20.406 -1.147 1.00 8.29 H new ATOM 1399 N HIS A 89 12.479 -20.547 2.683 1.00 6.83 N ATOM 1400 CA HIS A 89 13.458 -21.298 3.460 1.00 6.90 C ATOM 1401 C HIS A 89 14.694 -20.438 3.699 1.00 6.45 C ATOM 1402 O HIS A 89 15.485 -20.694 4.608 1.00 6.58 O ATOM 1403 CB HIS A 89 13.843 -22.589 2.734 1.00 7.63 C ATOM 1404 CG HIS A 89 14.614 -23.550 3.585 1.00 8.02 C ATOM 1405 ND1 HIS A 89 15.904 -23.943 3.299 1.00 8.70 N ATOM 1406 CD2 HIS A 89 14.267 -24.202 4.721 1.00 8.06 C ATOM 1407 CE1 HIS A 89 16.316 -24.797 4.219 1.00 9.11 C ATOM 1408 NE2 HIS A 89 15.341 -24.969 5.092 1.00 8.74 N ATOM 0 H HIS A 89 12.418 -20.821 1.702 1.00 6.83 H new ATOM 0 HA HIS A 89 13.017 -21.564 4.420 1.00 6.90 H new ATOM 0 HB2 HIS A 89 12.937 -23.079 2.377 1.00 7.63 H new ATOM 0 HB3 HIS A 89 14.437 -22.338 1.855 1.00 7.63 H new ATOM 0 HD1 HIS A 89 16.454 -23.624 2.502 1.00 8.70 H new ATOM 0 HD2 HIS A 89 13.321 -24.131 5.238 1.00 8.06 H new ATOM 0 HE1 HIS A 89 17.285 -25.273 4.251 1.00 9.11 H new ATOM 1417 N HIS A 90 14.841 -19.414 2.865 1.00 6.08 N ATOM 1418 CA HIS A 90 15.957 -18.484 2.961 1.00 5.77 C ATOM 1419 C HIS A 90 15.439 -17.047 2.871 1.00 5.44 C ATOM 1420 O HIS A 90 15.116 -16.582 1.786 1.00 5.60 O ATOM 1421 CB HIS A 90 16.963 -18.744 1.837 1.00 6.09 C ATOM 1422 CG HIS A 90 17.522 -20.133 1.839 1.00 6.55 C ATOM 1423 ND1 HIS A 90 18.306 -20.627 2.861 1.00 7.04 N ATOM 1424 CD2 HIS A 90 17.408 -21.135 0.936 1.00 6.91 C ATOM 1425 CE1 HIS A 90 18.651 -21.873 2.585 1.00 7.58 C ATOM 1426 NE2 HIS A 90 18.118 -22.205 1.424 1.00 7.51 N ATOM 0 H HIS A 90 14.191 -19.207 2.106 1.00 6.08 H new ATOM 0 HA HIS A 90 16.456 -18.629 3.919 1.00 5.77 H new ATOM 0 HB2 HIS A 90 16.479 -18.558 0.878 1.00 6.09 H new ATOM 0 HB3 HIS A 90 17.783 -18.032 1.924 1.00 6.09 H new ATOM 0 HD2 HIS A 90 16.861 -21.100 0.005 1.00 6.91 H new ATOM 0 HE1 HIS A 90 19.265 -22.511 3.204 1.00 7.58 H new ATOM 0 HE2 HIS A 90 18.217 -23.110 0.964 1.00 7.51 H new ATOM 1435 N PRO A 91 15.350 -16.337 4.018 1.00 5.15 N ATOM 1436 CA PRO A 91 14.852 -14.947 4.093 1.00 4.98 C ATOM 1437 C PRO A 91 15.331 -14.037 2.966 1.00 4.84 C ATOM 1438 O PRO A 91 16.082 -14.454 2.088 1.00 5.14 O ATOM 1439 CB PRO A 91 15.453 -14.463 5.389 1.00 5.10 C ATOM 1440 CG PRO A 91 15.481 -15.664 6.265 1.00 5.17 C ATOM 1441 CD PRO A 91 15.734 -16.837 5.355 1.00 5.17 C ATOM 0 HA PRO A 91 13.765 -14.923 4.021 1.00 4.98 H new ATOM 0 HB2 PRO A 91 16.455 -14.062 5.235 1.00 5.10 H new ATOM 0 HB3 PRO A 91 14.854 -13.666 5.829 1.00 5.10 H new ATOM 0 HG2 PRO A 91 16.264 -15.579 7.018 1.00 5.17 H new ATOM 0 HG3 PRO A 91 14.537 -15.780 6.798 1.00 5.17 H new ATOM 0 HD2 PRO A 91 16.779 -17.145 5.381 1.00 5.17 H new ATOM 0 HD3 PRO A 91 15.139 -17.703 5.644 1.00 5.17 H new ATOM 1449 N ILE A 92 14.918 -12.765 3.015 1.00 4.52 N ATOM 1450 CA ILE A 92 15.315 -11.816 1.984 1.00 4.42 C ATOM 1451 C ILE A 92 15.631 -10.430 2.526 1.00 3.99 C ATOM 1452 O ILE A 92 14.771 -9.758 3.088 1.00 3.99 O ATOM 1453 CB ILE A 92 14.189 -11.685 0.927 1.00 4.77 C ATOM 1454 CG1 ILE A 92 14.063 -10.254 0.369 1.00 4.68 C ATOM 1455 CG2 ILE A 92 12.855 -12.125 1.510 1.00 5.46 C ATOM 1456 CD1 ILE A 92 15.296 -9.750 -0.342 1.00 4.43 C ATOM 0 H ILE A 92 14.320 -12.380 3.746 1.00 4.52 H new ATOM 0 HA ILE A 92 16.229 -12.213 1.543 1.00 4.42 H new ATOM 0 HB ILE A 92 14.463 -12.338 0.099 1.00 4.77 H new ATOM 0 HG12 ILE A 92 13.221 -10.220 -0.322 1.00 4.68 H new ATOM 0 HG13 ILE A 92 13.830 -9.576 1.190 1.00 4.68 H new ATOM 0 HG21 ILE A 92 12.077 -12.026 0.753 1.00 5.46 H new ATOM 0 HG22 ILE A 92 12.922 -13.166 1.827 1.00 5.46 H new ATOM 0 HG23 ILE A 92 12.609 -11.499 2.368 1.00 5.46 H new ATOM 0 HD11 ILE A 92 15.120 -8.736 -0.702 1.00 4.43 H new ATOM 0 HD12 ILE A 92 16.139 -9.748 0.349 1.00 4.43 H new ATOM 0 HD13 ILE A 92 15.521 -10.401 -1.187 1.00 4.43 H new ATOM 1468 N GLN A 93 16.883 -10.011 2.365 1.00 3.75 N ATOM 1469 CA GLN A 93 17.265 -8.678 2.749 1.00 3.44 C ATOM 1470 C GLN A 93 18.417 -8.143 1.908 1.00 3.12 C ATOM 1471 O GLN A 93 19.532 -8.542 2.149 1.00 3.04 O ATOM 1472 CB GLN A 93 17.699 -8.766 4.216 1.00 3.51 C ATOM 1473 CG GLN A 93 18.085 -10.175 4.668 1.00 3.77 C ATOM 1474 CD GLN A 93 19.275 -10.766 3.926 1.00 3.84 C ATOM 1475 OE1 GLN A 93 19.007 -11.495 2.850 1.00 4.15 O flip ATOM 1476 NE2 GLN A 93 20.424 -10.596 4.332 1.00 4.02 N flip ATOM 0 H GLN A 93 17.636 -10.578 1.974 1.00 3.75 H new ATOM 0 HA GLN A 93 16.429 -7.995 2.600 1.00 3.44 H new ATOM 0 HB2 GLN A 93 18.547 -8.100 4.374 1.00 3.51 H new ATOM 0 HB3 GLN A 93 16.887 -8.403 4.847 1.00 3.51 H new ATOM 0 HG2 GLN A 93 18.311 -10.153 5.734 1.00 3.77 H new ATOM 0 HG3 GLN A 93 17.227 -10.834 4.538 1.00 3.77 H new ATOM 0 HE21 GLN A 93 20.593 -10.029 5.163 1.00 4.02 H new ATOM 0 HE22 GLN A 93 21.208 -11.022 3.838 1.00 4.02 H new ATOM 1485 N MET A 94 18.227 -7.113 1.071 1.00 3.01 N ATOM 1486 CA MET A 94 19.390 -6.624 0.317 1.00 2.75 C ATOM 1487 C MET A 94 19.378 -5.140 -0.048 1.00 2.77 C ATOM 1488 O MET A 94 18.504 -4.668 -0.777 1.00 2.91 O ATOM 1489 CB MET A 94 19.579 -7.456 -0.948 1.00 2.65 C ATOM 1490 CG MET A 94 21.015 -7.915 -1.146 1.00 2.30 C ATOM 1491 SD MET A 94 21.139 -9.654 -1.605 1.00 2.33 S ATOM 1492 CE MET A 94 20.676 -10.446 -0.067 1.00 2.41 C ATOM 0 H MET A 94 17.344 -6.630 0.904 1.00 3.01 H new ATOM 0 HA MET A 94 20.227 -6.739 1.005 1.00 2.75 H new ATOM 0 HB2 MET A 94 18.927 -8.328 -0.904 1.00 2.65 H new ATOM 0 HB3 MET A 94 19.268 -6.869 -1.812 1.00 2.65 H new ATOM 0 HG2 MET A 94 21.482 -7.306 -1.920 1.00 2.30 H new ATOM 0 HG3 MET A 94 21.575 -7.746 -0.226 1.00 2.30 H new ATOM 0 HE1 MET A 94 20.602 -11.523 -0.220 1.00 2.41 H new ATOM 0 HE2 MET A 94 21.431 -10.238 0.691 1.00 2.41 H new ATOM 0 HE3 MET A 94 19.713 -10.060 0.266 1.00 2.41 H new ATOM 1502 N LYS A 95 20.359 -4.422 0.472 1.00 2.73 N ATOM 1503 CA LYS A 95 20.602 -3.024 0.129 1.00 2.87 C ATOM 1504 C LYS A 95 22.094 -2.733 0.274 1.00 2.75 C ATOM 1505 O LYS A 95 22.678 -3.135 1.264 1.00 2.63 O ATOM 1506 CB LYS A 95 19.759 -2.078 0.967 1.00 3.24 C ATOM 1507 CG LYS A 95 19.740 -2.409 2.442 1.00 3.26 C ATOM 1508 CD LYS A 95 18.355 -2.186 3.028 1.00 3.68 C ATOM 1509 CE LYS A 95 17.379 -3.257 2.563 1.00 3.80 C ATOM 1510 NZ LYS A 95 15.988 -2.980 3.020 1.00 4.40 N ATOM 0 H LYS A 95 21.020 -4.795 1.154 1.00 2.73 H new ATOM 0 HA LYS A 95 20.302 -2.855 -0.905 1.00 2.87 H new ATOM 0 HB2 LYS A 95 20.135 -1.063 0.838 1.00 3.24 H new ATOM 0 HB3 LYS A 95 18.736 -2.089 0.590 1.00 3.24 H new ATOM 0 HG2 LYS A 95 20.040 -3.446 2.590 1.00 3.26 H new ATOM 0 HG3 LYS A 95 20.466 -1.789 2.968 1.00 3.26 H new ATOM 0 HD2 LYS A 95 18.413 -2.192 4.116 1.00 3.68 H new ATOM 0 HD3 LYS A 95 17.987 -1.203 2.734 1.00 3.68 H new ATOM 0 HE2 LYS A 95 17.398 -3.317 1.475 1.00 3.80 H new ATOM 0 HE3 LYS A 95 17.699 -4.228 2.942 1.00 3.80 H new ATOM 0 HZ1 LYS A 95 15.378 -3.789 2.786 1.00 4.40 H new ATOM 0 HZ2 LYS A 95 15.984 -2.830 4.049 1.00 4.40 H new ATOM 0 HZ3 LYS A 95 15.630 -2.127 2.545 1.00 4.40 H new ATOM 1524 N PRO A 96 22.754 -2.035 -0.653 1.00 2.85 N ATOM 1525 CA PRO A 96 24.171 -1.751 -0.521 1.00 2.87 C ATOM 1526 C PRO A 96 24.465 -0.291 -0.204 1.00 3.26 C ATOM 1527 O PRO A 96 23.964 0.622 -0.862 1.00 3.59 O ATOM 1528 CB PRO A 96 24.679 -2.094 -1.918 1.00 2.87 C ATOM 1529 CG PRO A 96 23.465 -2.000 -2.824 1.00 2.97 C ATOM 1530 CD PRO A 96 22.284 -1.610 -1.958 1.00 3.03 C ATOM 0 HA PRO A 96 24.633 -2.303 0.298 1.00 2.87 H new ATOM 0 HB2 PRO A 96 25.459 -1.401 -2.233 1.00 2.87 H new ATOM 0 HB3 PRO A 96 25.112 -3.094 -1.944 1.00 2.87 H new ATOM 0 HG2 PRO A 96 23.627 -1.260 -3.608 1.00 2.97 H new ATOM 0 HG3 PRO A 96 23.280 -2.954 -3.319 1.00 2.97 H new ATOM 0 HD2 PRO A 96 22.079 -0.540 -1.995 1.00 3.03 H new ATOM 0 HD3 PRO A 96 21.368 -2.121 -2.254 1.00 3.03 H new ATOM 1538 N ALA A 97 25.286 -0.092 0.825 1.00 3.26 N ATOM 1539 CA ALA A 97 25.666 1.240 1.269 1.00 3.66 C ATOM 1540 C ALA A 97 24.445 2.046 1.693 1.00 3.56 C ATOM 1541 O ALA A 97 24.076 3.032 1.054 1.00 3.83 O ATOM 1542 CB ALA A 97 26.432 1.962 0.178 1.00 3.99 C ATOM 0 H ALA A 97 25.703 -0.847 1.369 1.00 3.26 H new ATOM 0 HA ALA A 97 26.315 1.136 2.138 1.00 3.66 H new ATOM 0 HB1 ALA A 97 26.709 2.957 0.526 1.00 3.99 H new ATOM 0 HB2 ALA A 97 27.333 1.399 -0.067 1.00 3.99 H new ATOM 0 HB3 ALA A 97 25.806 2.049 -0.710 1.00 3.99 H new ATOM 1548 N ASP A 98 23.825 1.611 2.781 1.00 3.37 N ATOM 1549 CA ASP A 98 22.638 2.268 3.317 1.00 3.32 C ATOM 1550 C ASP A 98 22.950 3.692 3.748 1.00 3.17 C ATOM 1551 O ASP A 98 22.066 4.542 3.817 1.00 3.27 O ATOM 1552 CB ASP A 98 22.097 1.477 4.507 1.00 3.42 C ATOM 1553 CG ASP A 98 20.644 1.792 4.805 1.00 3.94 C ATOM 1554 OD1 ASP A 98 19.762 1.215 4.136 1.00 4.23 O ATOM 1555 OD2 ASP A 98 20.390 2.616 5.708 1.00 4.40 O ATOM 0 H ASP A 98 24.128 0.797 3.316 1.00 3.37 H new ATOM 0 HA ASP A 98 21.885 2.304 2.530 1.00 3.32 H new ATOM 0 HB2 ASP A 98 22.200 0.411 4.307 1.00 3.42 H new ATOM 0 HB3 ASP A 98 22.700 1.695 5.388 1.00 3.42 H new ATOM 1560 N SER A 99 24.212 3.938 4.044 1.00 3.17 N ATOM 1561 CA SER A 99 24.643 5.253 4.485 1.00 3.44 C ATOM 1562 C SER A 99 24.360 6.326 3.436 1.00 3.74 C ATOM 1563 O SER A 99 24.223 7.503 3.768 1.00 4.12 O ATOM 1564 CB SER A 99 26.135 5.236 4.826 1.00 3.73 C ATOM 1565 OG SER A 99 26.411 4.306 5.858 1.00 3.81 O ATOM 0 H SER A 99 24.958 3.245 3.987 1.00 3.17 H new ATOM 0 HA SER A 99 24.070 5.502 5.378 1.00 3.44 H new ATOM 0 HB2 SER A 99 26.712 4.980 3.937 1.00 3.73 H new ATOM 0 HB3 SER A 99 26.452 6.232 5.135 1.00 3.73 H new ATOM 0 HG SER A 99 27.371 4.313 6.056 1.00 3.81 H new ATOM 1571 N GLU A 100 24.272 5.924 2.170 1.00 3.82 N ATOM 1572 CA GLU A 100 24.017 6.877 1.096 1.00 4.40 C ATOM 1573 C GLU A 100 23.108 6.303 0.014 1.00 4.57 C ATOM 1574 O GLU A 100 23.394 6.419 -1.179 1.00 5.20 O ATOM 1575 CB GLU A 100 25.351 7.319 0.494 1.00 4.96 C ATOM 1576 CG GLU A 100 26.111 6.201 -0.204 1.00 4.97 C ATOM 1577 CD GLU A 100 27.413 6.678 -0.818 1.00 5.69 C ATOM 1578 OE1 GLU A 100 28.422 6.757 -0.085 1.00 5.72 O ATOM 1579 OE2 GLU A 100 27.424 6.972 -2.032 1.00 6.33 O ATOM 0 H GLU A 100 24.372 4.955 1.866 1.00 3.82 H new ATOM 0 HA GLU A 100 23.494 7.734 1.520 1.00 4.40 H new ATOM 0 HB2 GLU A 100 25.168 8.122 -0.220 1.00 4.96 H new ATOM 0 HB3 GLU A 100 25.977 7.732 1.285 1.00 4.96 H new ATOM 0 HG2 GLU A 100 26.321 5.407 0.512 1.00 4.97 H new ATOM 0 HG3 GLU A 100 25.482 5.770 -0.983 1.00 4.97 H new ATOM 1586 N LYS A 101 22.002 5.697 0.427 1.00 4.17 N ATOM 1587 CA LYS A 101 21.063 5.119 -0.521 1.00 4.52 C ATOM 1588 C LYS A 101 20.225 6.191 -1.208 1.00 5.04 C ATOM 1589 O LYS A 101 19.918 6.077 -2.395 1.00 5.75 O ATOM 1590 CB LYS A 101 20.151 4.109 0.162 1.00 4.09 C ATOM 1591 CG LYS A 101 19.275 4.709 1.239 1.00 3.50 C ATOM 1592 CD LYS A 101 19.441 3.957 2.541 1.00 2.97 C ATOM 1593 CE LYS A 101 19.089 4.825 3.730 1.00 2.57 C ATOM 1594 NZ LYS A 101 19.742 6.161 3.661 1.00 2.71 N ATOM 0 H LYS A 101 21.736 5.594 1.406 1.00 4.17 H new ATOM 0 HA LYS A 101 21.652 4.607 -1.282 1.00 4.52 H new ATOM 0 HB2 LYS A 101 19.517 3.640 -0.590 1.00 4.09 H new ATOM 0 HB3 LYS A 101 20.762 3.320 0.601 1.00 4.09 H new ATOM 0 HG2 LYS A 101 19.534 5.758 1.383 1.00 3.50 H new ATOM 0 HG3 LYS A 101 18.231 4.678 0.926 1.00 3.50 H new ATOM 0 HD2 LYS A 101 18.806 3.071 2.535 1.00 2.97 H new ATOM 0 HD3 LYS A 101 20.470 3.610 2.634 1.00 2.97 H new ATOM 0 HE2 LYS A 101 18.008 4.953 3.778 1.00 2.57 H new ATOM 0 HE3 LYS A 101 19.391 4.321 4.648 1.00 2.57 H new ATOM 0 HZ1 LYS A 101 19.673 6.629 4.587 1.00 2.71 H new ATOM 0 HZ2 LYS A 101 20.743 6.045 3.405 1.00 2.71 H new ATOM 0 HZ3 LYS A 101 19.266 6.743 2.943 1.00 2.71 H new ATOM 1608 N ASN A 102 19.858 7.229 -0.448 1.00 4.88 N ATOM 1609 CA ASN A 102 19.033 8.330 -0.957 1.00 5.53 C ATOM 1610 C ASN A 102 17.574 7.895 -1.080 1.00 5.30 C ATOM 1611 O ASN A 102 16.656 8.687 -0.866 1.00 5.56 O ATOM 1612 CB ASN A 102 19.551 8.839 -2.308 1.00 6.54 C ATOM 1613 CG ASN A 102 18.781 10.047 -2.808 1.00 7.30 C ATOM 1614 OD1 ASN A 102 18.290 10.864 -1.882 1.00 7.44 O flip ATOM 1615 ND2 ASN A 102 18.633 10.246 -4.014 1.00 8.00 N flip ATOM 0 H ASN A 102 20.123 7.329 0.532 1.00 4.88 H new ATOM 0 HA ASN A 102 19.097 9.150 -0.241 1.00 5.53 H new ATOM 0 HB2 ASN A 102 20.606 9.098 -2.215 1.00 6.54 H new ATOM 0 HB3 ASN A 102 19.483 8.038 -3.045 1.00 6.54 H new ATOM 0 HD21 ASN A 102 19.027 9.593 -4.691 1.00 8.00 H new ATOM 0 HD22 ASN A 102 18.116 11.064 -4.336 1.00 8.00 H new ATOM 1622 N ASN A 103 17.373 6.626 -1.424 1.00 4.96 N ATOM 1623 CA ASN A 103 16.039 6.059 -1.561 1.00 4.80 C ATOM 1624 C ASN A 103 15.654 5.357 -0.266 1.00 3.82 C ATOM 1625 O ASN A 103 15.117 4.249 -0.271 1.00 3.71 O ATOM 1626 CB ASN A 103 16.009 5.071 -2.728 1.00 5.48 C ATOM 1627 CG ASN A 103 16.851 3.840 -2.455 1.00 5.68 C ATOM 1628 OD1 ASN A 103 16.335 2.802 -2.043 1.00 5.93 O ATOM 1629 ND2 ASN A 103 18.155 3.956 -2.667 1.00 5.77 N ATOM 0 H ASN A 103 18.127 5.966 -1.614 1.00 4.96 H new ATOM 0 HA ASN A 103 15.324 6.856 -1.763 1.00 4.80 H new ATOM 0 HB2 ASN A 103 14.979 4.770 -2.921 1.00 5.48 H new ATOM 0 HB3 ASN A 103 16.371 5.565 -3.630 1.00 5.48 H new ATOM 0 HD21 ASN A 103 18.773 3.165 -2.488 1.00 5.77 H new ATOM 0 HD22 ASN A 103 18.540 4.836 -3.009 1.00 5.77 H new ATOM 1636 N ALA A 104 15.928 6.029 0.844 1.00 3.34 N ATOM 1637 CA ALA A 104 15.651 5.490 2.165 1.00 2.62 C ATOM 1638 C ALA A 104 14.174 5.188 2.333 1.00 2.40 C ATOM 1639 O ALA A 104 13.791 4.355 3.147 1.00 2.26 O ATOM 1640 CB ALA A 104 16.125 6.469 3.226 1.00 2.66 C ATOM 0 H ALA A 104 16.347 6.959 0.853 1.00 3.34 H new ATOM 0 HA ALA A 104 16.193 4.551 2.280 1.00 2.62 H new ATOM 0 HB1 ALA A 104 15.916 6.062 4.216 1.00 2.66 H new ATOM 0 HB2 ALA A 104 17.198 6.630 3.119 1.00 2.66 H new ATOM 0 HB3 ALA A 104 15.602 7.418 3.106 1.00 2.66 H new ATOM 1646 N VAL A 105 13.356 5.878 1.554 1.00 2.72 N ATOM 1647 CA VAL A 105 11.913 5.705 1.603 1.00 2.60 C ATOM 1648 C VAL A 105 11.499 4.287 1.200 1.00 2.45 C ATOM 1649 O VAL A 105 10.537 3.731 1.735 1.00 2.19 O ATOM 1650 CB VAL A 105 11.224 6.724 0.677 1.00 3.26 C ATOM 1651 CG1 VAL A 105 11.702 8.133 0.992 1.00 3.86 C ATOM 1652 CG2 VAL A 105 11.477 6.388 -0.787 1.00 3.76 C ATOM 0 H VAL A 105 13.671 6.570 0.874 1.00 2.72 H new ATOM 0 HA VAL A 105 11.598 5.872 2.633 1.00 2.60 H new ATOM 0 HB VAL A 105 10.150 6.673 0.854 1.00 3.26 H new ATOM 0 HG11 VAL A 105 11.206 8.842 0.329 1.00 3.86 H new ATOM 0 HG12 VAL A 105 11.463 8.375 2.027 1.00 3.86 H new ATOM 0 HG13 VAL A 105 12.780 8.193 0.845 1.00 3.86 H new ATOM 0 HG21 VAL A 105 10.980 7.123 -1.420 1.00 3.76 H new ATOM 0 HG22 VAL A 105 12.549 6.405 -0.984 1.00 3.76 H new ATOM 0 HG23 VAL A 105 11.084 5.395 -1.006 1.00 3.76 H new ATOM 1662 N GLU A 106 12.241 3.708 0.263 1.00 2.96 N ATOM 1663 CA GLU A 106 11.964 2.362 -0.235 1.00 3.40 C ATOM 1664 C GLU A 106 12.034 1.321 0.882 1.00 3.33 C ATOM 1665 O GLU A 106 11.473 0.231 0.755 1.00 3.80 O ATOM 1666 CB GLU A 106 12.936 2.007 -1.370 1.00 4.24 C ATOM 1667 CG GLU A 106 14.073 1.080 -0.965 1.00 4.29 C ATOM 1668 CD GLU A 106 13.690 -0.385 -1.036 1.00 4.91 C ATOM 1669 OE1 GLU A 106 13.398 -0.870 -2.148 1.00 5.41 O ATOM 1670 OE2 GLU A 106 13.684 -1.048 0.023 1.00 5.12 O ATOM 0 H GLU A 106 13.048 4.154 -0.172 1.00 2.96 H new ATOM 0 HA GLU A 106 10.946 2.352 -0.625 1.00 3.40 H new ATOM 0 HB2 GLU A 106 12.374 1.539 -2.179 1.00 4.24 H new ATOM 0 HB3 GLU A 106 13.361 2.928 -1.768 1.00 4.24 H new ATOM 0 HG2 GLU A 106 14.930 1.259 -1.614 1.00 4.29 H new ATOM 0 HG3 GLU A 106 14.387 1.320 0.051 1.00 4.29 H new ATOM 1677 N ASP A 107 12.718 1.659 1.974 1.00 3.02 N ATOM 1678 CA ASP A 107 12.888 0.729 3.086 1.00 3.41 C ATOM 1679 C ASP A 107 11.547 0.173 3.534 1.00 3.52 C ATOM 1680 O ASP A 107 11.457 -0.998 3.907 1.00 4.26 O ATOM 1681 CB ASP A 107 13.608 1.394 4.260 1.00 3.25 C ATOM 1682 CG ASP A 107 12.794 2.493 4.908 1.00 3.30 C ATOM 1683 OD1 ASP A 107 11.950 3.098 4.217 1.00 3.72 O ATOM 1684 OD2 ASP A 107 13.009 2.755 6.110 1.00 3.41 O ATOM 0 H ASP A 107 13.162 2.567 2.111 1.00 3.02 H new ATOM 0 HA ASP A 107 13.506 -0.097 2.734 1.00 3.41 H new ATOM 0 HB2 ASP A 107 13.847 0.638 5.008 1.00 3.25 H new ATOM 0 HB3 ASP A 107 14.554 1.808 3.911 1.00 3.25 H new ATOM 1689 N ARG A 108 10.504 0.997 3.503 1.00 2.89 N ATOM 1690 CA ARG A 108 9.186 0.502 3.867 1.00 3.04 C ATOM 1691 C ARG A 108 8.202 0.792 2.757 1.00 2.46 C ATOM 1692 O ARG A 108 7.733 1.920 2.607 1.00 1.90 O ATOM 1693 CB ARG A 108 8.709 1.196 5.137 1.00 3.22 C ATOM 1694 CG ARG A 108 9.180 2.638 5.264 1.00 2.91 C ATOM 1695 CD ARG A 108 10.023 2.840 6.511 1.00 3.48 C ATOM 1696 NE ARG A 108 10.533 4.205 6.620 1.00 3.38 N ATOM 1697 CZ ARG A 108 11.307 4.622 7.618 1.00 3.81 C ATOM 1698 NH1 ARG A 108 11.663 3.782 8.581 1.00 4.30 N ATOM 1699 NH2 ARG A 108 11.729 5.878 7.653 1.00 3.91 N ATOM 0 H ARG A 108 10.544 1.981 3.238 1.00 2.89 H new ATOM 0 HA ARG A 108 9.249 -0.574 4.032 1.00 3.04 H new ATOM 0 HB2 ARG A 108 7.620 1.176 5.163 1.00 3.22 H new ATOM 0 HB3 ARG A 108 9.059 0.632 6.001 1.00 3.22 H new ATOM 0 HG2 ARG A 108 9.761 2.911 4.383 1.00 2.91 H new ATOM 0 HG3 ARG A 108 8.317 3.303 5.296 1.00 2.91 H new ATOM 0 HD2 ARG A 108 9.426 2.606 7.392 1.00 3.48 H new ATOM 0 HD3 ARG A 108 10.860 2.142 6.498 1.00 3.48 H new ATOM 0 HE ARG A 108 10.282 4.874 5.892 1.00 3.38 H new ATOM 0 HH11 ARG A 108 11.343 2.814 8.557 1.00 4.30 H new ATOM 0 HH12 ARG A 108 12.257 4.104 9.345 1.00 4.30 H new ATOM 0 HH21 ARG A 108 11.460 6.527 6.914 1.00 3.91 H new ATOM 0 HH22 ARG A 108 12.322 6.195 8.419 1.00 3.91 H new ATOM 1713 N LYS A 109 7.787 -0.274 2.094 1.00 2.91 N ATOM 1714 CA LYS A 109 6.852 -0.180 0.984 1.00 2.73 C ATOM 1715 C LYS A 109 5.648 -1.106 1.124 1.00 3.05 C ATOM 1716 O LYS A 109 5.760 -2.230 1.609 1.00 3.83 O ATOM 1717 CB LYS A 109 7.574 -0.466 -0.332 1.00 3.38 C ATOM 1718 CG LYS A 109 7.967 0.789 -1.093 1.00 3.27 C ATOM 1719 CD LYS A 109 6.748 1.503 -1.655 1.00 3.31 C ATOM 1720 CE LYS A 109 7.144 2.680 -2.530 1.00 3.81 C ATOM 1721 NZ LYS A 109 5.956 3.350 -3.129 1.00 4.37 N ATOM 0 H LYS A 109 8.087 -1.225 2.308 1.00 2.91 H new ATOM 0 HA LYS A 109 6.465 0.839 0.991 1.00 2.73 H new ATOM 0 HB2 LYS A 109 8.470 -1.052 -0.126 1.00 3.38 H new ATOM 0 HB3 LYS A 109 6.931 -1.078 -0.964 1.00 3.38 H new ATOM 0 HG2 LYS A 109 8.511 1.462 -0.431 1.00 3.27 H new ATOM 0 HG3 LYS A 109 8.643 0.526 -1.906 1.00 3.27 H new ATOM 0 HD2 LYS A 109 6.150 0.801 -2.237 1.00 3.31 H new ATOM 0 HD3 LYS A 109 6.120 1.853 -0.835 1.00 3.31 H new ATOM 0 HE2 LYS A 109 7.707 3.401 -1.937 1.00 3.81 H new ATOM 0 HE3 LYS A 109 7.806 2.335 -3.325 1.00 3.81 H new ATOM 0 HZ1 LYS A 109 6.270 4.126 -3.746 1.00 4.37 H new ATOM 0 HZ2 LYS A 109 5.414 2.661 -3.688 1.00 4.37 H new ATOM 0 HZ3 LYS A 109 5.354 3.731 -2.372 1.00 4.37 H new ATOM 1735 N LEU A 110 4.501 -0.608 0.690 1.00 2.58 N ATOM 1736 CA LEU A 110 3.264 -1.378 0.682 1.00 2.86 C ATOM 1737 C LEU A 110 2.650 -1.295 -0.707 1.00 3.03 C ATOM 1738 O LEU A 110 2.727 -0.254 -1.361 1.00 2.83 O ATOM 1739 CB LEU A 110 2.265 -0.868 1.731 1.00 2.44 C ATOM 1740 CG LEU A 110 2.502 -1.353 3.167 1.00 3.17 C ATOM 1741 CD1 LEU A 110 2.699 -2.863 3.208 1.00 4.14 C ATOM 1742 CD2 LEU A 110 3.696 -0.637 3.779 1.00 3.11 C ATOM 0 H LEU A 110 4.400 0.342 0.333 1.00 2.58 H new ATOM 0 HA LEU A 110 3.496 -2.412 0.936 1.00 2.86 H new ATOM 0 HB2 LEU A 110 2.287 0.222 1.727 1.00 2.44 H new ATOM 0 HB3 LEU A 110 1.262 -1.168 1.427 1.00 2.44 H new ATOM 0 HG LEU A 110 1.617 -1.115 3.757 1.00 3.17 H new ATOM 0 HD11 LEU A 110 2.865 -3.180 4.237 1.00 4.14 H new ATOM 0 HD12 LEU A 110 1.810 -3.357 2.815 1.00 4.14 H new ATOM 0 HD13 LEU A 110 3.563 -3.134 2.601 1.00 4.14 H new ATOM 0 HD21 LEU A 110 3.850 -0.993 4.798 1.00 3.11 H new ATOM 0 HD22 LEU A 110 4.587 -0.841 3.184 1.00 3.11 H new ATOM 0 HD23 LEU A 110 3.508 0.437 3.794 1.00 3.11 H new ATOM 1754 N PHE A 111 2.039 -2.381 -1.160 1.00 3.75 N ATOM 1755 CA PHE A 111 1.436 -2.402 -2.485 1.00 4.24 C ATOM 1756 C PHE A 111 -0.038 -2.755 -2.412 1.00 4.19 C ATOM 1757 O PHE A 111 -0.415 -3.795 -1.873 1.00 4.56 O ATOM 1758 CB PHE A 111 2.168 -3.403 -3.384 1.00 5.34 C ATOM 1759 CG PHE A 111 1.559 -3.541 -4.751 1.00 6.09 C ATOM 1760 CD1 PHE A 111 1.758 -2.565 -5.714 1.00 6.18 C ATOM 1761 CD2 PHE A 111 0.789 -4.647 -5.074 1.00 6.87 C ATOM 1762 CE1 PHE A 111 1.201 -2.688 -6.974 1.00 6.97 C ATOM 1763 CE2 PHE A 111 0.228 -4.776 -6.331 1.00 7.61 C ATOM 1764 CZ PHE A 111 0.435 -3.796 -7.281 1.00 7.63 C ATOM 0 H PHE A 111 1.948 -3.251 -0.635 1.00 3.75 H new ATOM 0 HA PHE A 111 1.527 -1.403 -2.911 1.00 4.24 H new ATOM 0 HB2 PHE A 111 3.208 -3.092 -3.488 1.00 5.34 H new ATOM 0 HB3 PHE A 111 2.174 -4.379 -2.898 1.00 5.34 H new ATOM 0 HD1 PHE A 111 2.356 -1.697 -5.478 1.00 6.18 H new ATOM 0 HD2 PHE A 111 0.625 -5.417 -4.335 1.00 6.87 H new ATOM 0 HE1 PHE A 111 1.364 -1.920 -7.716 1.00 6.97 H new ATOM 0 HE2 PHE A 111 -0.371 -5.642 -6.569 1.00 7.61 H new ATOM 0 HZ PHE A 111 -0.002 -3.895 -8.264 1.00 7.63 H new ATOM 1774 N ILE A 112 -0.865 -1.879 -2.967 1.00 3.92 N ATOM 1775 CA ILE A 112 -2.302 -2.085 -2.980 1.00 3.86 C ATOM 1776 C ILE A 112 -2.781 -2.353 -4.405 1.00 4.75 C ATOM 1777 O ILE A 112 -2.611 -1.521 -5.298 1.00 5.06 O ATOM 1778 CB ILE A 112 -3.055 -0.878 -2.390 1.00 2.95 C ATOM 1779 CG1 ILE A 112 -2.584 -0.592 -0.960 1.00 2.19 C ATOM 1780 CG2 ILE A 112 -4.548 -1.145 -2.403 1.00 2.90 C ATOM 1781 CD1 ILE A 112 -1.293 0.195 -0.882 1.00 2.02 C ATOM 0 H ILE A 112 -0.560 -1.015 -3.416 1.00 3.92 H new ATOM 0 HA ILE A 112 -2.518 -2.951 -2.355 1.00 3.86 H new ATOM 0 HB ILE A 112 -2.842 -0.002 -3.003 1.00 2.95 H new ATOM 0 HG12 ILE A 112 -3.365 -0.042 -0.435 1.00 2.19 H new ATOM 0 HG13 ILE A 112 -2.453 -1.539 -0.436 1.00 2.19 H new ATOM 0 HG21 ILE A 112 -5.075 -0.287 -1.984 1.00 2.90 H new ATOM 0 HG22 ILE A 112 -4.879 -1.309 -3.428 1.00 2.90 H new ATOM 0 HG23 ILE A 112 -4.764 -2.031 -1.806 1.00 2.90 H new ATOM 0 HD11 ILE A 112 -1.028 0.356 0.163 1.00 2.02 H new ATOM 0 HD12 ILE A 112 -0.497 -0.362 -1.377 1.00 2.02 H new ATOM 0 HD13 ILE A 112 -1.424 1.158 -1.376 1.00 2.02 H new ATOM 1793 N GLY A 113 -3.390 -3.521 -4.588 1.00 5.33 N ATOM 1794 CA GLY A 113 -3.859 -3.940 -5.895 1.00 6.24 C ATOM 1795 C GLY A 113 -5.117 -3.246 -6.362 1.00 6.09 C ATOM 1796 O GLY A 113 -5.062 -2.410 -7.262 1.00 6.49 O ATOM 0 H GLY A 113 -3.568 -4.193 -3.842 1.00 5.33 H new ATOM 0 HA2 GLY A 113 -3.069 -3.762 -6.625 1.00 6.24 H new ATOM 0 HA3 GLY A 113 -4.038 -5.015 -5.875 1.00 6.24 H new ATOM 1800 N MET A 114 -6.257 -3.594 -5.771 1.00 5.69 N ATOM 1801 CA MET A 114 -7.522 -3.002 -6.187 1.00 5.55 C ATOM 1802 C MET A 114 -8.207 -2.217 -5.070 1.00 4.56 C ATOM 1803 O MET A 114 -8.639 -2.774 -4.058 1.00 4.05 O ATOM 1804 CB MET A 114 -8.457 -4.081 -6.741 1.00 6.00 C ATOM 1805 CG MET A 114 -8.945 -5.088 -5.711 1.00 5.90 C ATOM 1806 SD MET A 114 -9.867 -6.450 -6.455 1.00 7.01 S ATOM 1807 CE MET A 114 -10.962 -5.570 -7.567 1.00 7.54 C ATOM 0 H MET A 114 -6.330 -4.273 -5.013 1.00 5.69 H new ATOM 0 HA MET A 114 -7.292 -2.284 -6.975 1.00 5.55 H new ATOM 0 HB2 MET A 114 -9.322 -3.596 -7.193 1.00 6.00 H new ATOM 0 HB3 MET A 114 -7.940 -4.617 -7.537 1.00 6.00 H new ATOM 0 HG2 MET A 114 -8.090 -5.488 -5.166 1.00 5.90 H new ATOM 0 HG3 MET A 114 -9.578 -4.580 -4.983 1.00 5.90 H new ATOM 0 HE1 MET A 114 -11.781 -6.225 -7.865 1.00 7.54 H new ATOM 0 HE2 MET A 114 -11.365 -4.692 -7.062 1.00 7.54 H new ATOM 0 HE3 MET A 114 -10.407 -5.257 -8.452 1.00 7.54 H new ATOM 1817 N ILE A 115 -8.281 -0.909 -5.272 1.00 4.53 N ATOM 1818 CA ILE A 115 -8.934 0.000 -4.332 1.00 3.90 C ATOM 1819 C ILE A 115 -10.131 0.682 -4.985 1.00 4.44 C ATOM 1820 O ILE A 115 -10.226 0.748 -6.211 1.00 5.25 O ATOM 1821 CB ILE A 115 -7.978 1.076 -3.794 1.00 3.67 C ATOM 1822 CG1 ILE A 115 -6.940 1.440 -4.853 1.00 4.42 C ATOM 1823 CG2 ILE A 115 -7.318 0.590 -2.514 1.00 2.85 C ATOM 1824 CD1 ILE A 115 -6.113 2.655 -4.500 1.00 4.43 C ATOM 0 H ILE A 115 -7.891 -0.445 -6.092 1.00 4.53 H new ATOM 0 HA ILE A 115 -9.264 -0.612 -3.493 1.00 3.90 H new ATOM 0 HB ILE A 115 -8.545 1.977 -3.562 1.00 3.67 H new ATOM 0 HG12 ILE A 115 -6.275 0.590 -5.004 1.00 4.42 H new ATOM 0 HG13 ILE A 115 -7.448 1.620 -5.800 1.00 4.42 H new ATOM 0 HG21 ILE A 115 -6.642 1.358 -2.139 1.00 2.85 H new ATOM 0 HG22 ILE A 115 -8.083 0.383 -1.766 1.00 2.85 H new ATOM 0 HG23 ILE A 115 -6.755 -0.321 -2.718 1.00 2.85 H new ATOM 0 HD11 ILE A 115 -5.398 2.853 -5.298 1.00 4.43 H new ATOM 0 HD12 ILE A 115 -6.768 3.518 -4.378 1.00 4.43 H new ATOM 0 HD13 ILE A 115 -5.576 2.472 -3.569 1.00 4.43 H new ATOM 1836 N SER A 116 -11.040 1.187 -4.161 1.00 4.14 N ATOM 1837 CA SER A 116 -12.242 1.846 -4.655 1.00 4.74 C ATOM 1838 C SER A 116 -11.892 3.129 -5.399 1.00 5.61 C ATOM 1839 O SER A 116 -10.995 3.872 -5.003 1.00 5.67 O ATOM 1840 CB SER A 116 -13.184 2.168 -3.494 1.00 4.50 C ATOM 1841 OG SER A 116 -14.423 2.671 -3.964 1.00 4.35 O ATOM 0 H SER A 116 -10.967 1.153 -3.144 1.00 4.14 H new ATOM 0 HA SER A 116 -12.739 1.166 -5.346 1.00 4.74 H new ATOM 0 HB2 SER A 116 -13.355 1.270 -2.901 1.00 4.50 H new ATOM 0 HB3 SER A 116 -12.717 2.901 -2.836 1.00 4.50 H new ATOM 0 HG SER A 116 -15.007 2.867 -3.202 1.00 4.35 H new ATOM 1847 N LYS A 117 -12.617 3.373 -6.486 1.00 6.37 N ATOM 1848 CA LYS A 117 -12.397 4.548 -7.320 1.00 7.35 C ATOM 1849 C LYS A 117 -12.599 5.843 -6.544 1.00 7.65 C ATOM 1850 O LYS A 117 -12.212 6.916 -7.007 1.00 8.40 O ATOM 1851 CB LYS A 117 -13.345 4.524 -8.521 1.00 8.11 C ATOM 1852 CG LYS A 117 -12.938 3.546 -9.610 1.00 8.25 C ATOM 1853 CD LYS A 117 -13.129 2.100 -9.176 1.00 7.50 C ATOM 1854 CE LYS A 117 -11.803 1.438 -8.840 1.00 7.13 C ATOM 1855 NZ LYS A 117 -11.985 0.028 -8.396 1.00 7.69 N ATOM 0 H LYS A 117 -13.369 2.766 -6.812 1.00 6.37 H new ATOM 0 HA LYS A 117 -11.362 4.515 -7.660 1.00 7.35 H new ATOM 0 HB2 LYS A 117 -14.347 4.270 -8.175 1.00 8.11 H new ATOM 0 HB3 LYS A 117 -13.399 5.525 -8.948 1.00 8.11 H new ATOM 0 HG2 LYS A 117 -13.527 3.736 -10.507 1.00 8.25 H new ATOM 0 HG3 LYS A 117 -11.893 3.711 -9.874 1.00 8.25 H new ATOM 0 HD2 LYS A 117 -13.785 2.064 -8.306 1.00 7.50 H new ATOM 0 HD3 LYS A 117 -13.623 1.543 -9.972 1.00 7.50 H new ATOM 0 HE2 LYS A 117 -11.153 1.463 -9.714 1.00 7.13 H new ATOM 0 HE3 LYS A 117 -11.303 2.005 -8.055 1.00 7.13 H new ATOM 0 HZ1 LYS A 117 -11.414 -0.144 -7.544 1.00 7.69 H new ATOM 0 HZ2 LYS A 117 -12.988 -0.142 -8.181 1.00 7.69 H new ATOM 0 HZ3 LYS A 117 -11.679 -0.616 -9.153 1.00 7.69 H new ATOM 1869 N LYS A 118 -13.206 5.745 -5.368 1.00 7.20 N ATOM 1870 CA LYS A 118 -13.463 6.922 -4.552 1.00 7.69 C ATOM 1871 C LYS A 118 -12.403 7.093 -3.469 1.00 7.36 C ATOM 1872 O LYS A 118 -12.712 7.472 -2.338 1.00 7.36 O ATOM 1873 CB LYS A 118 -14.851 6.833 -3.933 1.00 7.64 C ATOM 1874 CG LYS A 118 -15.935 6.578 -4.962 1.00 7.99 C ATOM 1875 CD LYS A 118 -15.942 7.639 -6.052 1.00 7.52 C ATOM 1876 CE LYS A 118 -17.215 7.574 -6.880 1.00 7.69 C ATOM 1877 NZ LYS A 118 -18.431 7.803 -6.050 1.00 7.78 N ATOM 0 H LYS A 118 -13.528 4.867 -4.961 1.00 7.20 H new ATOM 0 HA LYS A 118 -13.416 7.799 -5.198 1.00 7.69 H new ATOM 0 HB2 LYS A 118 -14.863 6.033 -3.192 1.00 7.64 H new ATOM 0 HB3 LYS A 118 -15.069 7.761 -3.404 1.00 7.64 H new ATOM 0 HG2 LYS A 118 -15.785 5.596 -5.412 1.00 7.99 H new ATOM 0 HG3 LYS A 118 -16.907 6.558 -4.469 1.00 7.99 H new ATOM 0 HD2 LYS A 118 -15.849 8.627 -5.601 1.00 7.52 H new ATOM 0 HD3 LYS A 118 -15.077 7.502 -6.701 1.00 7.52 H new ATOM 0 HE2 LYS A 118 -17.171 8.321 -7.673 1.00 7.69 H new ATOM 0 HE3 LYS A 118 -17.284 6.600 -7.364 1.00 7.69 H new ATOM 0 HZ1 LYS A 118 -19.203 8.151 -6.654 1.00 7.78 H new ATOM 0 HZ2 LYS A 118 -18.718 6.910 -5.601 1.00 7.78 H new ATOM 0 HZ3 LYS A 118 -18.222 8.508 -5.315 1.00 7.78 H new ATOM 1891 N CYS A 119 -11.153 6.814 -3.824 1.00 7.20 N ATOM 1892 CA CYS A 119 -10.046 6.935 -2.884 1.00 6.89 C ATOM 1893 C CYS A 119 -9.022 7.964 -3.357 1.00 7.58 C ATOM 1894 O CYS A 119 -8.548 7.906 -4.491 1.00 7.88 O ATOM 1895 CB CYS A 119 -9.357 5.583 -2.710 1.00 5.83 C ATOM 1896 SG CYS A 119 -10.442 4.279 -2.079 1.00 5.00 S ATOM 0 H CYS A 119 -10.882 6.502 -4.757 1.00 7.20 H new ATOM 0 HA CYS A 119 -10.456 7.269 -1.931 1.00 6.89 H new ATOM 0 HB2 CYS A 119 -8.949 5.269 -3.671 1.00 5.83 H new ATOM 0 HB3 CYS A 119 -8.514 5.701 -2.029 1.00 5.83 H new ATOM 0 HG CYS A 119 -10.863 3.548 -3.068 1.00 5.00 H new ATOM 1902 N THR A 120 -8.684 8.905 -2.480 1.00 7.94 N ATOM 1903 CA THR A 120 -7.696 9.927 -2.805 1.00 8.60 C ATOM 1904 C THR A 120 -6.372 9.601 -2.124 1.00 8.03 C ATOM 1905 O THR A 120 -6.353 8.900 -1.111 1.00 7.32 O ATOM 1906 CB THR A 120 -8.155 11.333 -2.379 1.00 9.61 C ATOM 1907 OG1 THR A 120 -9.584 11.417 -2.424 1.00 9.96 O ATOM 1908 CG2 THR A 120 -7.557 12.391 -3.295 1.00 10.47 C ATOM 0 H THR A 120 -9.078 8.980 -1.542 1.00 7.94 H new ATOM 0 HA THR A 120 -7.573 9.928 -3.888 1.00 8.60 H new ATOM 0 HB THR A 120 -7.812 11.512 -1.360 1.00 9.61 H new ATOM 0 HG1 THR A 120 -9.868 12.314 -2.150 1.00 9.96 H new ATOM 0 HG21 THR A 120 -7.893 13.378 -2.978 1.00 10.47 H new ATOM 0 HG22 THR A 120 -6.469 12.344 -3.244 1.00 10.47 H new ATOM 0 HG23 THR A 120 -7.880 12.209 -4.320 1.00 10.47 H new ATOM 1916 N GLU A 121 -5.270 10.100 -2.667 1.00 8.38 N ATOM 1917 CA GLU A 121 -3.958 9.810 -2.098 1.00 7.86 C ATOM 1918 C GLU A 121 -3.855 10.265 -0.644 1.00 7.95 C ATOM 1919 O GLU A 121 -3.461 9.485 0.227 1.00 7.23 O ATOM 1920 CB GLU A 121 -2.866 10.468 -2.952 1.00 8.41 C ATOM 1921 CG GLU A 121 -1.556 10.701 -2.215 1.00 8.20 C ATOM 1922 CD GLU A 121 -0.525 11.408 -3.070 1.00 8.99 C ATOM 1923 OE1 GLU A 121 0.167 10.724 -3.855 1.00 9.38 O ATOM 1924 OE2 GLU A 121 -0.407 12.647 -2.957 1.00 9.31 O ATOM 0 H GLU A 121 -5.255 10.701 -3.491 1.00 8.38 H new ATOM 0 HA GLU A 121 -3.818 8.729 -2.105 1.00 7.86 H new ATOM 0 HB2 GLU A 121 -2.674 9.841 -3.823 1.00 8.41 H new ATOM 0 HB3 GLU A 121 -3.237 11.424 -3.323 1.00 8.41 H new ATOM 0 HG2 GLU A 121 -1.747 11.292 -1.320 1.00 8.20 H new ATOM 0 HG3 GLU A 121 -1.154 9.743 -1.885 1.00 8.20 H new ATOM 1931 N ASN A 122 -4.267 11.495 -0.365 1.00 8.92 N ATOM 1932 CA ASN A 122 -4.201 12.013 0.997 1.00 9.27 C ATOM 1933 C ASN A 122 -5.136 11.221 1.894 1.00 8.93 C ATOM 1934 O ASN A 122 -4.782 10.858 3.018 1.00 8.77 O ATOM 1935 CB ASN A 122 -4.573 13.496 1.034 1.00 10.46 C ATOM 1936 CG ASN A 122 -4.492 14.071 2.435 1.00 10.98 C ATOM 1937 OD1 ASN A 122 -3.632 13.686 3.227 1.00 11.25 O ATOM 1938 ND2 ASN A 122 -5.394 14.992 2.753 1.00 11.25 N ATOM 0 H ASN A 122 -4.646 12.146 -1.053 1.00 8.92 H new ATOM 0 HA ASN A 122 -3.178 11.908 1.358 1.00 9.27 H new ATOM 0 HB2 ASN A 122 -3.907 14.053 0.375 1.00 10.46 H new ATOM 0 HB3 ASN A 122 -5.584 13.625 0.648 1.00 10.46 H new ATOM 0 HD21 ASN A 122 -5.391 15.409 3.684 1.00 11.25 H new ATOM 0 HD22 ASN A 122 -6.090 15.283 2.066 1.00 11.25 H new ATOM 1945 N ASP A 123 -6.326 10.944 1.377 1.00 8.91 N ATOM 1946 CA ASP A 123 -7.326 10.192 2.113 1.00 8.65 C ATOM 1947 C ASP A 123 -6.760 8.858 2.578 1.00 7.63 C ATOM 1948 O ASP A 123 -7.043 8.407 3.690 1.00 7.63 O ATOM 1949 CB ASP A 123 -8.553 9.952 1.236 1.00 8.67 C ATOM 1950 CG ASP A 123 -9.771 9.540 2.042 1.00 8.97 C ATOM 1951 OD1 ASP A 123 -9.947 8.326 2.271 1.00 8.72 O ATOM 1952 OD2 ASP A 123 -10.547 10.434 2.443 1.00 9.52 O ATOM 0 H ASP A 123 -6.621 11.232 0.444 1.00 8.91 H new ATOM 0 HA ASP A 123 -7.616 10.774 2.988 1.00 8.65 H new ATOM 0 HB2 ASP A 123 -8.781 10.861 0.678 1.00 8.67 H new ATOM 0 HB3 ASP A 123 -8.326 9.177 0.504 1.00 8.67 H new ATOM 1957 N ILE A 124 -5.934 8.242 1.734 1.00 6.86 N ATOM 1958 CA ILE A 124 -5.349 6.953 2.063 1.00 5.85 C ATOM 1959 C ILE A 124 -4.573 7.034 3.366 1.00 6.05 C ATOM 1960 O ILE A 124 -4.710 6.174 4.237 1.00 5.79 O ATOM 1961 CB ILE A 124 -4.428 6.451 0.931 1.00 5.17 C ATOM 1962 CG1 ILE A 124 -5.262 5.841 -0.199 1.00 4.90 C ATOM 1963 CG2 ILE A 124 -3.415 5.439 1.455 1.00 4.29 C ATOM 1964 CD1 ILE A 124 -6.067 4.626 0.214 1.00 4.19 C ATOM 0 H ILE A 124 -5.659 8.615 0.825 1.00 6.86 H new ATOM 0 HA ILE A 124 -6.166 6.241 2.181 1.00 5.85 H new ATOM 0 HB ILE A 124 -3.875 7.304 0.538 1.00 5.17 H new ATOM 0 HG12 ILE A 124 -5.942 6.600 -0.585 1.00 4.90 H new ATOM 0 HG13 ILE A 124 -4.598 5.563 -1.017 1.00 4.90 H new ATOM 0 HG21 ILE A 124 -2.780 5.103 0.636 1.00 4.29 H new ATOM 0 HG22 ILE A 124 -2.799 5.905 2.224 1.00 4.29 H new ATOM 0 HG23 ILE A 124 -3.941 4.584 1.881 1.00 4.29 H new ATOM 0 HD11 ILE A 124 -6.629 4.254 -0.642 1.00 4.19 H new ATOM 0 HD12 ILE A 124 -5.393 3.847 0.572 1.00 4.19 H new ATOM 0 HD13 ILE A 124 -6.758 4.901 1.010 1.00 4.19 H new ATOM 1976 N ARG A 125 -3.783 8.091 3.506 1.00 6.68 N ATOM 1977 CA ARG A 125 -2.985 8.283 4.702 1.00 7.01 C ATOM 1978 C ARG A 125 -3.870 8.237 5.936 1.00 7.61 C ATOM 1979 O ARG A 125 -3.533 7.593 6.930 1.00 7.60 O ATOM 1980 CB ARG A 125 -2.244 9.619 4.632 1.00 7.78 C ATOM 1981 CG ARG A 125 -1.259 9.835 5.767 1.00 8.22 C ATOM 1982 CD ARG A 125 -0.377 11.044 5.509 1.00 8.67 C ATOM 1983 NE ARG A 125 -1.148 12.281 5.438 1.00 9.09 N ATOM 1984 CZ ARG A 125 -0.671 13.419 4.941 1.00 9.67 C ATOM 1985 NH1 ARG A 125 0.573 13.478 4.488 1.00 9.86 N ATOM 1986 NH2 ARG A 125 -1.440 14.499 4.899 1.00 10.27 N ATOM 0 H ARG A 125 -3.680 8.825 2.805 1.00 6.68 H new ATOM 0 HA ARG A 125 -2.252 7.479 4.768 1.00 7.01 H new ATOM 0 HB2 ARG A 125 -1.710 9.678 3.684 1.00 7.78 H new ATOM 0 HB3 ARG A 125 -2.973 10.429 4.638 1.00 7.78 H new ATOM 0 HG2 ARG A 125 -1.802 9.971 6.702 1.00 8.22 H new ATOM 0 HG3 ARG A 125 -0.638 8.947 5.886 1.00 8.22 H new ATOM 0 HD2 ARG A 125 0.366 11.126 6.302 1.00 8.67 H new ATOM 0 HD3 ARG A 125 0.167 10.902 4.575 1.00 8.67 H new ATOM 0 HE ARG A 125 -2.106 12.273 5.789 1.00 9.09 H new ATOM 0 HH11 ARG A 125 1.167 12.650 4.520 1.00 9.86 H new ATOM 0 HH12 ARG A 125 0.936 14.352 4.107 1.00 9.86 H new ATOM 0 HH21 ARG A 125 -2.398 14.457 5.248 1.00 10.27 H new ATOM 0 HH22 ARG A 125 -1.074 15.371 4.518 1.00 10.27 H new ATOM 2000 N VAL A 126 -5.029 8.883 5.845 1.00 8.22 N ATOM 2001 CA VAL A 126 -5.961 8.927 6.959 1.00 8.90 C ATOM 2002 C VAL A 126 -6.311 7.519 7.424 1.00 8.37 C ATOM 2003 O VAL A 126 -6.292 7.228 8.619 1.00 8.88 O ATOM 2004 CB VAL A 126 -7.254 9.674 6.578 1.00 9.46 C ATOM 2005 CG1 VAL A 126 -8.210 9.733 7.760 1.00 10.20 C ATOM 2006 CG2 VAL A 126 -6.933 11.075 6.075 1.00 10.10 C ATOM 0 H VAL A 126 -5.342 9.381 5.012 1.00 8.22 H new ATOM 0 HA VAL A 126 -5.471 9.465 7.771 1.00 8.90 H new ATOM 0 HB VAL A 126 -7.743 9.124 5.774 1.00 9.46 H new ATOM 0 HG11 VAL A 126 -9.116 10.265 7.469 1.00 10.20 H new ATOM 0 HG12 VAL A 126 -8.467 8.720 8.071 1.00 10.20 H new ATOM 0 HG13 VAL A 126 -7.733 10.256 8.588 1.00 10.20 H new ATOM 0 HG21 VAL A 126 -7.858 11.587 5.811 1.00 10.10 H new ATOM 0 HG22 VAL A 126 -6.419 11.634 6.857 1.00 10.10 H new ATOM 0 HG23 VAL A 126 -6.291 11.008 5.196 1.00 10.10 H new ATOM 2016 N MET A 127 -6.596 6.638 6.474 1.00 7.45 N ATOM 2017 CA MET A 127 -6.953 5.267 6.802 1.00 7.01 C ATOM 2018 C MET A 127 -5.777 4.554 7.457 1.00 6.90 C ATOM 2019 O MET A 127 -5.945 3.812 8.428 1.00 7.35 O ATOM 2020 CB MET A 127 -7.380 4.504 5.549 1.00 6.01 C ATOM 2021 CG MET A 127 -8.154 3.230 5.850 1.00 5.80 C ATOM 2022 SD MET A 127 -7.913 1.955 4.598 1.00 4.71 S ATOM 2023 CE MET A 127 -6.205 1.507 4.900 1.00 4.35 C ATOM 0 H MET A 127 -6.587 6.848 5.476 1.00 7.45 H new ATOM 0 HA MET A 127 -7.790 5.295 7.500 1.00 7.01 H new ATOM 0 HB2 MET A 127 -7.995 5.156 4.928 1.00 6.01 H new ATOM 0 HB3 MET A 127 -6.494 4.252 4.967 1.00 6.01 H new ATOM 0 HG2 MET A 127 -7.844 2.843 6.821 1.00 5.80 H new ATOM 0 HG3 MET A 127 -9.216 3.464 5.924 1.00 5.80 H new ATOM 0 HE1 MET A 127 -5.761 1.126 3.981 1.00 4.35 H new ATOM 0 HE2 MET A 127 -5.652 2.385 5.233 1.00 4.35 H new ATOM 0 HE3 MET A 127 -6.162 0.737 5.670 1.00 4.35 H new ATOM 2033 N PHE A 128 -4.580 4.813 6.941 1.00 6.45 N ATOM 2034 CA PHE A 128 -3.377 4.181 7.456 1.00 6.34 C ATOM 2035 C PHE A 128 -2.995 4.763 8.812 1.00 7.39 C ATOM 2036 O PHE A 128 -2.289 4.125 9.594 1.00 7.66 O ATOM 2037 CB PHE A 128 -2.222 4.316 6.460 1.00 5.52 C ATOM 2038 CG PHE A 128 -2.251 3.289 5.364 1.00 4.45 C ATOM 2039 CD1 PHE A 128 -3.171 3.379 4.333 1.00 4.02 C ATOM 2040 CD2 PHE A 128 -1.354 2.232 5.366 1.00 4.07 C ATOM 2041 CE1 PHE A 128 -3.198 2.434 3.324 1.00 3.10 C ATOM 2042 CE2 PHE A 128 -1.377 1.285 4.360 1.00 3.27 C ATOM 2043 CZ PHE A 128 -2.299 1.385 3.338 1.00 2.70 C ATOM 0 H PHE A 128 -4.420 5.457 6.166 1.00 6.45 H new ATOM 0 HA PHE A 128 -3.585 3.120 7.591 1.00 6.34 H new ATOM 0 HB2 PHE A 128 -2.251 5.311 6.015 1.00 5.52 H new ATOM 0 HB3 PHE A 128 -1.278 4.235 6.998 1.00 5.52 H new ATOM 0 HD1 PHE A 128 -3.876 4.197 4.317 1.00 4.02 H new ATOM 0 HD2 PHE A 128 -0.629 2.148 6.162 1.00 4.07 H new ATOM 0 HE1 PHE A 128 -3.921 2.516 2.526 1.00 3.10 H new ATOM 0 HE2 PHE A 128 -0.673 0.466 4.374 1.00 3.27 H new ATOM 0 HZ PHE A 128 -2.318 0.645 2.551 1.00 2.70 H new ATOM 2053 N SER A 129 -3.460 5.981 9.086 1.00 8.07 N ATOM 2054 CA SER A 129 -3.157 6.643 10.348 1.00 9.09 C ATOM 2055 C SER A 129 -3.709 5.838 11.518 1.00 9.73 C ATOM 2056 O SER A 129 -3.222 5.946 12.644 1.00 10.48 O ATOM 2057 CB SER A 129 -3.737 8.058 10.371 1.00 9.77 C ATOM 2058 OG SER A 129 -5.118 8.042 10.688 1.00 10.65 O ATOM 0 H SER A 129 -4.045 6.525 8.452 1.00 8.07 H new ATOM 0 HA SER A 129 -2.073 6.709 10.443 1.00 9.09 H new ATOM 0 HB2 SER A 129 -3.200 8.662 11.103 1.00 9.77 H new ATOM 0 HB3 SER A 129 -3.590 8.530 9.399 1.00 9.77 H new ATOM 0 HG SER A 129 -5.643 7.983 9.862 1.00 10.65 H new ATOM 2064 N SER A 130 -4.732 5.031 11.244 1.00 9.49 N ATOM 2065 CA SER A 130 -5.353 4.208 12.275 1.00 10.16 C ATOM 2066 C SER A 130 -4.335 3.254 12.892 1.00 10.26 C ATOM 2067 O SER A 130 -4.491 2.814 14.030 1.00 11.09 O ATOM 2068 CB SER A 130 -6.520 3.412 11.687 1.00 9.81 C ATOM 2069 OG SER A 130 -7.135 2.604 12.676 1.00 10.25 O ATOM 0 H SER A 130 -5.147 4.931 10.318 1.00 9.49 H new ATOM 0 HA SER A 130 -5.729 4.869 13.056 1.00 10.16 H new ATOM 0 HB2 SER A 130 -7.255 4.097 11.264 1.00 9.81 H new ATOM 0 HB3 SER A 130 -6.162 2.784 10.871 1.00 9.81 H new ATOM 0 HG SER A 130 -7.879 2.106 12.276 1.00 10.25 H new ATOM 2075 N PHE A 131 -3.291 2.939 12.131 1.00 9.46 N ATOM 2076 CA PHE A 131 -2.249 2.034 12.593 1.00 9.57 C ATOM 2077 C PHE A 131 -1.132 2.792 13.306 1.00 9.98 C ATOM 2078 O PHE A 131 -0.929 2.626 14.510 1.00 10.80 O ATOM 2079 CB PHE A 131 -1.678 1.250 11.411 1.00 8.58 C ATOM 2080 CG PHE A 131 -2.729 0.761 10.454 1.00 8.00 C ATOM 2081 CD1 PHE A 131 -3.775 -0.030 10.900 1.00 8.07 C ATOM 2082 CD2 PHE A 131 -2.665 1.086 9.109 1.00 7.49 C ATOM 2083 CE1 PHE A 131 -4.738 -0.487 10.023 1.00 7.58 C ATOM 2084 CE2 PHE A 131 -3.626 0.631 8.227 1.00 6.97 C ATOM 2085 CZ PHE A 131 -4.682 -0.128 8.689 1.00 6.97 C ATOM 0 H PHE A 131 -3.146 3.300 11.188 1.00 9.46 H new ATOM 0 HA PHE A 131 -2.694 1.341 13.307 1.00 9.57 H new ATOM 0 HB2 PHE A 131 -0.973 1.883 10.872 1.00 8.58 H new ATOM 0 HB3 PHE A 131 -1.116 0.396 11.789 1.00 8.58 H new ATOM 0 HD1 PHE A 131 -3.838 -0.292 11.946 1.00 8.07 H new ATOM 0 HD2 PHE A 131 -1.855 1.702 8.746 1.00 7.49 H new ATOM 0 HE1 PHE A 131 -5.534 -1.124 10.378 1.00 7.58 H new ATOM 0 HE2 PHE A 131 -3.551 0.869 7.176 1.00 6.97 H new ATOM 0 HZ PHE A 131 -5.462 -0.441 8.011 1.00 6.97 H new ATOM 2095 N GLY A 132 -0.412 3.625 12.559 1.00 9.45 N ATOM 2096 CA GLY A 132 0.678 4.387 13.142 1.00 9.82 C ATOM 2097 C GLY A 132 1.012 5.636 12.350 1.00 9.42 C ATOM 2098 O GLY A 132 0.119 6.365 11.919 1.00 9.41 O ATOM 0 H GLY A 132 -0.564 3.785 11.563 1.00 9.45 H new ATOM 0 HA2 GLY A 132 0.414 4.669 14.161 1.00 9.82 H new ATOM 0 HA3 GLY A 132 1.564 3.755 13.205 1.00 9.82 H new ATOM 2102 N GLN A 133 2.306 5.882 12.158 1.00 9.20 N ATOM 2103 CA GLN A 133 2.766 7.052 11.417 1.00 8.95 C ATOM 2104 C GLN A 133 3.094 6.697 9.969 1.00 7.78 C ATOM 2105 O GLN A 133 3.804 5.728 9.701 1.00 7.16 O ATOM 2106 CB GLN A 133 3.994 7.657 12.103 1.00 9.43 C ATOM 2107 CG GLN A 133 4.695 8.730 11.284 1.00 9.26 C ATOM 2108 CD GLN A 133 3.771 9.868 10.895 1.00 9.65 C ATOM 2109 OE1 GLN A 133 2.826 10.191 11.615 1.00 10.41 O ATOM 2110 NE2 GLN A 133 4.041 10.481 9.748 1.00 9.25 N ATOM 0 H GLN A 133 3.056 5.284 12.507 1.00 9.20 H new ATOM 0 HA GLN A 133 1.960 7.786 11.409 1.00 8.95 H new ATOM 0 HB2 GLN A 133 3.690 8.085 13.058 1.00 9.43 H new ATOM 0 HB3 GLN A 133 4.704 6.860 12.322 1.00 9.43 H new ATOM 0 HG2 GLN A 133 5.533 9.128 11.856 1.00 9.26 H new ATOM 0 HG3 GLN A 133 5.109 8.280 10.382 1.00 9.26 H new ATOM 0 HE21 GLN A 133 4.835 10.180 9.183 1.00 9.25 H new ATOM 0 HE22 GLN A 133 3.454 11.253 9.432 1.00 9.25 H new ATOM 2119 N ILE A 134 2.573 7.495 9.042 1.00 7.58 N ATOM 2120 CA ILE A 134 2.804 7.277 7.618 1.00 6.58 C ATOM 2121 C ILE A 134 3.906 8.193 7.101 1.00 6.62 C ATOM 2122 O ILE A 134 3.799 9.417 7.183 1.00 7.42 O ATOM 2123 CB ILE A 134 1.514 7.513 6.798 1.00 6.45 C ATOM 2124 CG1 ILE A 134 0.599 6.294 6.890 1.00 6.02 C ATOM 2125 CG2 ILE A 134 1.831 7.833 5.340 1.00 5.90 C ATOM 2126 CD1 ILE A 134 -0.024 6.112 8.253 1.00 6.94 C ATOM 0 H ILE A 134 1.986 8.302 9.253 1.00 7.58 H new ATOM 0 HA ILE A 134 3.113 6.239 7.496 1.00 6.58 H new ATOM 0 HB ILE A 134 0.999 8.375 7.223 1.00 6.45 H new ATOM 0 HG12 ILE A 134 -0.193 6.387 6.147 1.00 6.02 H new ATOM 0 HG13 ILE A 134 1.170 5.401 6.638 1.00 6.02 H new ATOM 0 HG21 ILE A 134 0.902 7.993 4.792 1.00 5.90 H new ATOM 0 HG22 ILE A 134 2.442 8.734 5.290 1.00 5.90 H new ATOM 0 HG23 ILE A 134 2.376 7.000 4.895 1.00 5.90 H new ATOM 0 HD11 ILE A 134 -0.661 5.228 8.247 1.00 6.94 H new ATOM 0 HD12 ILE A 134 0.761 5.988 8.998 1.00 6.94 H new ATOM 0 HD13 ILE A 134 -0.623 6.989 8.499 1.00 6.94 H new ATOM 2138 N GLU A 135 4.966 7.593 6.570 1.00 5.83 N ATOM 2139 CA GLU A 135 6.077 8.361 6.030 1.00 5.88 C ATOM 2140 C GLU A 135 5.663 9.028 4.729 1.00 5.91 C ATOM 2141 O GLU A 135 5.825 10.236 4.559 1.00 6.67 O ATOM 2142 CB GLU A 135 7.292 7.464 5.800 1.00 5.10 C ATOM 2143 CG GLU A 135 8.022 7.109 7.081 1.00 5.50 C ATOM 2144 CD GLU A 135 8.573 8.328 7.796 1.00 6.06 C ATOM 2145 OE1 GLU A 135 9.725 8.714 7.510 1.00 6.00 O ATOM 2146 OE2 GLU A 135 7.850 8.896 8.641 1.00 6.66 O ATOM 0 H GLU A 135 5.077 6.581 6.503 1.00 5.83 H new ATOM 0 HA GLU A 135 6.351 9.130 6.753 1.00 5.88 H new ATOM 0 HB2 GLU A 135 6.971 6.547 5.306 1.00 5.10 H new ATOM 0 HB3 GLU A 135 7.983 7.965 5.122 1.00 5.10 H new ATOM 0 HG2 GLU A 135 7.342 6.578 7.747 1.00 5.50 H new ATOM 0 HG3 GLU A 135 8.840 6.427 6.851 1.00 5.50 H new ATOM 2153 N GLU A 136 5.133 8.231 3.809 1.00 5.21 N ATOM 2154 CA GLU A 136 4.683 8.750 2.523 1.00 5.43 C ATOM 2155 C GLU A 136 3.469 7.975 2.021 1.00 5.05 C ATOM 2156 O GLU A 136 3.412 6.754 2.140 1.00 4.20 O ATOM 2157 CB GLU A 136 5.816 8.681 1.497 1.00 5.17 C ATOM 2158 CG GLU A 136 5.585 9.557 0.276 1.00 5.90 C ATOM 2159 CD GLU A 136 6.774 9.571 -0.665 1.00 5.96 C ATOM 2160 OE1 GLU A 136 7.796 10.201 -0.321 1.00 6.14 O ATOM 2161 OE2 GLU A 136 6.683 8.951 -1.745 1.00 5.95 O ATOM 0 H GLU A 136 5.005 7.226 3.929 1.00 5.21 H new ATOM 0 HA GLU A 136 4.393 9.792 2.658 1.00 5.43 H new ATOM 0 HB2 GLU A 136 6.748 8.979 1.977 1.00 5.17 H new ATOM 0 HB3 GLU A 136 5.940 7.647 1.174 1.00 5.17 H new ATOM 0 HG2 GLU A 136 4.706 9.201 -0.261 1.00 5.90 H new ATOM 0 HG3 GLU A 136 5.370 10.576 0.599 1.00 5.90 H new ATOM 2168 N CYS A 137 2.498 8.691 1.460 1.00 5.74 N ATOM 2169 CA CYS A 137 1.295 8.057 0.931 1.00 5.52 C ATOM 2170 C CYS A 137 1.102 8.432 -0.531 1.00 5.95 C ATOM 2171 O CYS A 137 1.181 9.605 -0.898 1.00 6.88 O ATOM 2172 CB CYS A 137 0.066 8.447 1.751 1.00 6.14 C ATOM 2173 SG CYS A 137 -0.494 7.154 2.881 1.00 7.54 S ATOM 0 H CYS A 137 2.521 9.706 1.360 1.00 5.74 H new ATOM 0 HA CYS A 137 1.418 6.976 1.002 1.00 5.52 H new ATOM 0 HB2 CYS A 137 0.293 9.345 2.325 1.00 6.14 H new ATOM 0 HB3 CYS A 137 -0.748 8.701 1.071 1.00 6.14 H new ATOM 0 HG CYS A 137 0.536 6.575 3.422 1.00 7.54 H new ATOM 2179 N ARG A 138 0.849 7.427 -1.360 1.00 5.43 N ATOM 2180 CA ARG A 138 0.682 7.643 -2.789 1.00 6.08 C ATOM 2181 C ARG A 138 -0.479 6.834 -3.349 1.00 5.90 C ATOM 2182 O ARG A 138 -0.755 5.722 -2.902 1.00 5.02 O ATOM 2183 CB ARG A 138 1.972 7.274 -3.521 1.00 6.07 C ATOM 2184 CG ARG A 138 3.117 6.924 -2.583 1.00 5.34 C ATOM 2185 CD ARG A 138 4.352 6.457 -3.335 1.00 5.40 C ATOM 2186 NE ARG A 138 5.403 6.018 -2.422 1.00 4.64 N ATOM 2187 CZ ARG A 138 6.702 6.208 -2.645 1.00 4.78 C ATOM 2188 NH1 ARG A 138 7.106 6.832 -3.743 1.00 5.71 N ATOM 2189 NH2 ARG A 138 7.596 5.777 -1.765 1.00 4.08 N ATOM 0 H ARG A 138 0.755 6.455 -1.066 1.00 5.43 H new ATOM 0 HA ARG A 138 0.458 8.698 -2.944 1.00 6.08 H new ATOM 0 HB2 ARG A 138 1.779 6.427 -4.179 1.00 6.07 H new ATOM 0 HB3 ARG A 138 2.273 8.108 -4.155 1.00 6.07 H new ATOM 0 HG2 ARG A 138 3.369 7.796 -1.979 1.00 5.34 H new ATOM 0 HG3 ARG A 138 2.795 6.142 -1.895 1.00 5.34 H new ATOM 0 HD2 ARG A 138 4.084 5.638 -4.003 1.00 5.40 H new ATOM 0 HD3 ARG A 138 4.727 7.268 -3.959 1.00 5.40 H new ATOM 0 HE ARG A 138 5.127 5.539 -1.565 1.00 4.64 H new ATOM 0 HH11 ARG A 138 6.421 7.168 -4.420 1.00 5.71 H new ATOM 0 HH12 ARG A 138 8.102 6.976 -3.911 1.00 5.71 H new ATOM 0 HH21 ARG A 138 7.288 5.300 -0.917 1.00 4.08 H new ATOM 0 HH22 ARG A 138 8.591 5.923 -1.936 1.00 4.08 H new ATOM 2203 N ILE A 139 -1.156 7.414 -4.331 1.00 6.77 N ATOM 2204 CA ILE A 139 -2.283 6.767 -4.983 1.00 6.80 C ATOM 2205 C ILE A 139 -2.193 6.941 -6.488 1.00 7.75 C ATOM 2206 O ILE A 139 -1.685 7.950 -6.979 1.00 8.55 O ATOM 2207 CB ILE A 139 -3.651 7.298 -4.476 1.00 6.95 C ATOM 2208 CG1 ILE A 139 -4.352 6.202 -3.668 1.00 5.96 C ATOM 2209 CG2 ILE A 139 -4.536 7.770 -5.635 1.00 7.85 C ATOM 2210 CD1 ILE A 139 -5.798 6.503 -3.336 1.00 6.13 C ATOM 0 H ILE A 139 -0.940 8.342 -4.696 1.00 6.77 H new ATOM 0 HA ILE A 139 -2.228 5.708 -4.729 1.00 6.80 H new ATOM 0 HB ILE A 139 -3.473 8.162 -3.836 1.00 6.95 H new ATOM 0 HG12 ILE A 139 -4.307 5.268 -4.228 1.00 5.96 H new ATOM 0 HG13 ILE A 139 -3.803 6.044 -2.740 1.00 5.96 H new ATOM 0 HG21 ILE A 139 -5.485 8.135 -5.243 1.00 7.85 H new ATOM 0 HG22 ILE A 139 -4.033 8.573 -6.173 1.00 7.85 H new ATOM 0 HG23 ILE A 139 -4.720 6.938 -6.314 1.00 7.85 H new ATOM 0 HD11 ILE A 139 -6.219 5.677 -2.763 1.00 6.13 H new ATOM 0 HD12 ILE A 139 -5.853 7.418 -2.747 1.00 6.13 H new ATOM 0 HD13 ILE A 139 -6.364 6.631 -4.259 1.00 6.13 H new ATOM 2222 N LEU A 140 -2.684 5.953 -7.214 1.00 7.74 N ATOM 2223 CA LEU A 140 -2.673 6.011 -8.658 1.00 8.72 C ATOM 2224 C LEU A 140 -4.101 5.954 -9.168 1.00 9.04 C ATOM 2225 O LEU A 140 -4.853 4.995 -8.904 1.00 8.48 O ATOM 2226 CB LEU A 140 -1.859 4.853 -9.231 1.00 8.72 C ATOM 2227 CG LEU A 140 -0.522 4.599 -8.537 1.00 8.18 C ATOM 2228 CD1 LEU A 140 0.115 3.323 -9.059 1.00 8.31 C ATOM 2229 CD2 LEU A 140 0.416 5.783 -8.731 1.00 8.71 C ATOM 0 H LEU A 140 -3.094 5.104 -6.825 1.00 7.74 H new ATOM 0 HA LEU A 140 -2.209 6.944 -8.979 1.00 8.72 H new ATOM 0 HB2 LEU A 140 -2.459 3.944 -9.175 1.00 8.72 H new ATOM 0 HB3 LEU A 140 -1.672 5.047 -10.287 1.00 8.72 H new ATOM 0 HG LEU A 140 -0.707 4.480 -7.469 1.00 8.18 H new ATOM 0 HD11 LEU A 140 1.066 3.158 -8.553 1.00 8.31 H new ATOM 0 HD12 LEU A 140 -0.549 2.480 -8.867 1.00 8.31 H new ATOM 0 HD13 LEU A 140 0.285 3.414 -10.132 1.00 8.31 H new ATOM 0 HD21 LEU A 140 1.363 5.583 -8.229 1.00 8.71 H new ATOM 0 HD22 LEU A 140 0.594 5.935 -9.795 1.00 8.71 H new ATOM 0 HD23 LEU A 140 -0.037 6.679 -8.307 1.00 8.71 H new ATOM 2241 N ARG A 141 -4.429 6.998 -9.923 1.00 9.99 N ATOM 2242 CA ARG A 141 -5.744 7.201 -10.498 1.00 10.47 C ATOM 2243 C ARG A 141 -5.616 7.640 -11.958 1.00 11.63 C ATOM 2244 O ARG A 141 -4.647 8.305 -12.324 1.00 12.15 O ATOM 2245 CB ARG A 141 -6.512 8.249 -9.682 1.00 10.48 C ATOM 2246 CG ARG A 141 -5.697 9.489 -9.339 1.00 10.88 C ATOM 2247 CD ARG A 141 -6.528 10.510 -8.578 1.00 11.35 C ATOM 2248 NE ARG A 141 -7.814 10.762 -9.223 1.00 11.42 N ATOM 2249 CZ ARG A 141 -8.274 11.976 -9.510 1.00 11.99 C ATOM 2250 NH1 ARG A 141 -7.557 13.050 -9.207 1.00 12.56 N ATOM 2251 NH2 ARG A 141 -9.451 12.118 -10.101 1.00 12.08 N ATOM 0 H ARG A 141 -3.769 7.740 -10.154 1.00 9.99 H new ATOM 0 HA ARG A 141 -6.298 6.263 -10.469 1.00 10.47 H new ATOM 0 HB2 ARG A 141 -7.397 8.552 -10.241 1.00 10.48 H new ATOM 0 HB3 ARG A 141 -6.861 7.790 -8.757 1.00 10.48 H new ATOM 0 HG2 ARG A 141 -4.832 9.203 -8.740 1.00 10.88 H new ATOM 0 HG3 ARG A 141 -5.315 9.939 -10.255 1.00 10.88 H new ATOM 0 HD2 ARG A 141 -6.696 10.155 -7.561 1.00 11.35 H new ATOM 0 HD3 ARG A 141 -5.972 11.444 -8.501 1.00 11.35 H new ATOM 0 HE ARG A 141 -8.394 9.959 -9.468 1.00 11.42 H new ATOM 0 HH11 ARG A 141 -6.650 12.946 -8.752 1.00 12.56 H new ATOM 0 HH12 ARG A 141 -7.913 13.980 -9.429 1.00 12.56 H new ATOM 0 HH21 ARG A 141 -10.006 11.295 -10.337 1.00 12.08 H new ATOM 0 HH22 ARG A 141 -9.802 13.050 -10.320 1.00 12.08 H new ATOM 2265 N GLY A 142 -6.585 7.267 -12.790 1.00 12.05 N ATOM 2266 CA GLY A 142 -6.521 7.629 -14.198 1.00 13.16 C ATOM 2267 C GLY A 142 -7.604 8.616 -14.604 1.00 13.83 C ATOM 2268 O GLY A 142 -8.681 8.639 -14.009 1.00 13.45 O ATOM 0 H GLY A 142 -7.406 6.726 -12.519 1.00 12.05 H new ATOM 0 HA2 GLY A 142 -5.544 8.061 -14.413 1.00 13.16 H new ATOM 0 HA3 GLY A 142 -6.612 6.728 -14.804 1.00 13.16 H new ATOM 2272 N PRO A 143 -7.337 9.453 -15.628 1.00 14.87 N ATOM 2273 CA PRO A 143 -8.291 10.464 -16.100 1.00 15.64 C ATOM 2274 C PRO A 143 -9.449 9.874 -16.898 1.00 15.86 C ATOM 2275 O PRO A 143 -10.178 10.602 -17.573 1.00 16.55 O ATOM 2276 CB PRO A 143 -7.434 11.361 -16.992 1.00 16.66 C ATOM 2277 CG PRO A 143 -6.370 10.458 -17.513 1.00 16.59 C ATOM 2278 CD PRO A 143 -6.082 9.477 -16.410 1.00 15.42 C ATOM 0 HA PRO A 143 -8.769 10.981 -15.268 1.00 15.64 H new ATOM 0 HB2 PRO A 143 -8.021 11.792 -17.803 1.00 16.66 H new ATOM 0 HB3 PRO A 143 -7.009 12.192 -16.429 1.00 16.66 H new ATOM 0 HG2 PRO A 143 -6.702 9.944 -18.415 1.00 16.59 H new ATOM 0 HG3 PRO A 143 -5.475 11.021 -17.778 1.00 16.59 H new ATOM 0 HD2 PRO A 143 -5.837 8.491 -16.805 1.00 15.42 H new ATOM 0 HD3 PRO A 143 -5.236 9.796 -15.801 1.00 15.42 H new ATOM 2286 N ASP A 144 -9.619 8.559 -16.824 1.00 15.31 N ATOM 2287 CA ASP A 144 -10.702 7.896 -17.539 1.00 15.50 C ATOM 2288 C ASP A 144 -12.047 8.316 -16.956 1.00 15.23 C ATOM 2289 O ASP A 144 -13.088 8.187 -17.600 1.00 15.58 O ATOM 2290 CB ASP A 144 -10.544 6.376 -17.462 1.00 14.89 C ATOM 2291 CG ASP A 144 -9.229 5.901 -18.049 1.00 15.23 C ATOM 2292 OD1 ASP A 144 -8.236 5.823 -17.295 1.00 15.02 O ATOM 2293 OD2 ASP A 144 -9.190 5.610 -19.263 1.00 15.79 O ATOM 0 H ASP A 144 -9.024 7.934 -16.279 1.00 15.31 H new ATOM 0 HA ASP A 144 -10.662 8.194 -18.587 1.00 15.50 H new ATOM 0 HB2 ASP A 144 -10.610 6.059 -16.421 1.00 14.89 H new ATOM 0 HB3 ASP A 144 -11.369 5.900 -17.993 1.00 14.89 H new ATOM 2298 N GLY A 145 -12.004 8.819 -15.727 1.00 14.64 N ATOM 2299 CA GLY A 145 -13.205 9.263 -15.050 1.00 14.42 C ATOM 2300 C GLY A 145 -13.164 8.921 -13.577 1.00 13.31 C ATOM 2301 O GLY A 145 -13.930 9.460 -12.777 1.00 13.11 O ATOM 0 H GLY A 145 -11.148 8.927 -15.184 1.00 14.64 H new ATOM 0 HA2 GLY A 145 -13.317 10.340 -15.172 1.00 14.42 H new ATOM 0 HA3 GLY A 145 -14.077 8.798 -15.509 1.00 14.42 H new ATOM 2305 N LEU A 146 -12.256 8.015 -13.225 1.00 12.64 N ATOM 2306 CA LEU A 146 -12.095 7.577 -11.848 1.00 11.55 C ATOM 2307 C LEU A 146 -10.704 6.983 -11.631 1.00 11.12 C ATOM 2308 O LEU A 146 -9.956 6.773 -12.586 1.00 11.67 O ATOM 2309 CB LEU A 146 -13.183 6.554 -11.476 1.00 10.90 C ATOM 2310 CG LEU A 146 -13.480 5.450 -12.510 1.00 11.20 C ATOM 2311 CD1 LEU A 146 -14.274 6.001 -13.686 1.00 12.22 C ATOM 2312 CD2 LEU A 146 -12.200 4.788 -12.997 1.00 11.35 C ATOM 0 H LEU A 146 -11.617 7.569 -13.883 1.00 12.64 H new ATOM 0 HA LEU A 146 -12.202 8.445 -11.198 1.00 11.55 H new ATOM 0 HB2 LEU A 146 -12.894 6.075 -10.541 1.00 10.90 H new ATOM 0 HB3 LEU A 146 -14.108 7.097 -11.283 1.00 10.90 H new ATOM 0 HG LEU A 146 -14.084 4.692 -12.012 1.00 11.20 H new ATOM 0 HD11 LEU A 146 -14.469 5.201 -14.400 1.00 12.22 H new ATOM 0 HD12 LEU A 146 -15.220 6.407 -13.328 1.00 12.22 H new ATOM 0 HD13 LEU A 146 -13.702 6.790 -14.173 1.00 12.22 H new ATOM 0 HD21 LEU A 146 -12.445 4.014 -13.725 1.00 11.35 H new ATOM 0 HD22 LEU A 146 -11.559 5.536 -13.464 1.00 11.35 H new ATOM 0 HD23 LEU A 146 -11.678 4.339 -12.152 1.00 11.35 H new ATOM 2324 N SER A 147 -10.358 6.718 -10.375 1.00 10.17 N ATOM 2325 CA SER A 147 -9.061 6.140 -10.053 1.00 9.69 C ATOM 2326 C SER A 147 -8.934 4.732 -10.623 1.00 9.46 C ATOM 2327 O SER A 147 -9.819 3.896 -10.440 1.00 8.99 O ATOM 2328 CB SER A 147 -8.858 6.106 -8.538 1.00 8.75 C ATOM 2329 OG SER A 147 -7.595 5.556 -8.205 1.00 8.22 O ATOM 0 H SER A 147 -10.956 6.894 -9.568 1.00 10.17 H new ATOM 0 HA SER A 147 -8.291 6.766 -10.504 1.00 9.69 H new ATOM 0 HB2 SER A 147 -8.936 7.116 -8.135 1.00 8.75 H new ATOM 0 HB3 SER A 147 -9.649 5.516 -8.075 1.00 8.75 H new ATOM 0 HG SER A 147 -7.489 5.547 -7.231 1.00 8.22 H new ATOM 2335 N ARG A 148 -7.826 4.483 -11.321 1.00 9.89 N ATOM 2336 CA ARG A 148 -7.569 3.177 -11.909 1.00 9.93 C ATOM 2337 C ARG A 148 -7.751 2.090 -10.856 1.00 8.90 C ATOM 2338 O ARG A 148 -8.194 0.985 -11.165 1.00 8.92 O ATOM 2339 CB ARG A 148 -6.160 3.134 -12.500 1.00 10.37 C ATOM 2340 CG ARG A 148 -5.068 3.335 -11.467 1.00 9.67 C ATOM 2341 CD ARG A 148 -4.308 2.047 -11.215 1.00 9.77 C ATOM 2342 NE ARG A 148 -5.203 0.896 -11.120 1.00 10.74 N ATOM 2343 CZ ARG A 148 -5.257 -0.073 -12.031 1.00 11.24 C ATOM 2344 NH1 ARG A 148 -4.472 -0.031 -13.098 1.00 10.90 N ATOM 2345 NH2 ARG A 148 -6.097 -1.087 -11.871 1.00 12.22 N ATOM 0 H ARG A 148 -7.094 5.172 -11.491 1.00 9.89 H new ATOM 0 HA ARG A 148 -8.281 2.999 -12.715 1.00 9.93 H new ATOM 0 HB2 ARG A 148 -6.010 2.174 -12.994 1.00 10.37 H new ATOM 0 HB3 ARG A 148 -6.072 3.904 -13.266 1.00 10.37 H new ATOM 0 HG2 ARG A 148 -4.378 4.107 -11.809 1.00 9.67 H new ATOM 0 HG3 ARG A 148 -5.507 3.690 -10.534 1.00 9.67 H new ATOM 0 HD2 ARG A 148 -3.592 1.885 -12.021 1.00 9.77 H new ATOM 0 HD3 ARG A 148 -3.735 2.138 -10.292 1.00 9.77 H new ATOM 0 HE ARG A 148 -5.821 0.831 -10.311 1.00 10.74 H new ATOM 0 HH11 ARG A 148 -3.823 0.746 -13.224 1.00 10.90 H new ATOM 0 HH12 ARG A 148 -4.517 -0.776 -13.794 1.00 10.90 H new ATOM 0 HH21 ARG A 148 -6.701 -1.124 -11.050 1.00 12.22 H new ATOM 0 HH22 ARG A 148 -6.139 -1.830 -12.569 1.00 12.22 H new ATOM 2359 N GLY A 149 -7.396 2.412 -9.613 1.00 8.07 N ATOM 2360 CA GLY A 149 -7.574 1.468 -8.529 1.00 7.06 C ATOM 2361 C GLY A 149 -6.292 0.903 -7.939 1.00 6.63 C ATOM 2362 O GLY A 149 -6.277 -0.259 -7.538 1.00 6.24 O ATOM 0 H GLY A 149 -6.990 3.307 -9.341 1.00 8.07 H new ATOM 0 HA2 GLY A 149 -8.136 1.957 -7.733 1.00 7.06 H new ATOM 0 HA3 GLY A 149 -8.185 0.640 -8.888 1.00 7.06 H new ATOM 2366 N CYS A 150 -5.214 1.690 -7.861 1.00 6.80 N ATOM 2367 CA CYS A 150 -3.977 1.173 -7.259 1.00 6.41 C ATOM 2368 C CYS A 150 -3.308 2.227 -6.395 1.00 5.95 C ATOM 2369 O CYS A 150 -3.396 3.409 -6.687 1.00 6.46 O ATOM 2370 CB CYS A 150 -3.000 0.651 -8.312 1.00 7.32 C ATOM 2371 SG CYS A 150 -3.641 -0.714 -9.308 1.00 8.04 S ATOM 0 H CYS A 150 -5.168 2.653 -8.193 1.00 6.80 H new ATOM 0 HA CYS A 150 -4.261 0.332 -6.627 1.00 6.41 H new ATOM 0 HB2 CYS A 150 -2.726 1.472 -8.975 1.00 7.32 H new ATOM 0 HB3 CYS A 150 -2.087 0.325 -7.814 1.00 7.32 H new ATOM 0 HG CYS A 150 -4.377 -1.486 -8.564 1.00 8.04 H new ATOM 2377 N ALA A 151 -2.654 1.793 -5.317 1.00 5.10 N ATOM 2378 CA ALA A 151 -2.005 2.730 -4.400 1.00 4.66 C ATOM 2379 C ALA A 151 -0.717 2.181 -3.791 1.00 4.11 C ATOM 2380 O ALA A 151 -0.561 0.975 -3.612 1.00 3.84 O ATOM 2381 CB ALA A 151 -2.967 3.133 -3.301 1.00 4.12 C ATOM 0 H ALA A 151 -2.560 0.811 -5.059 1.00 5.10 H new ATOM 0 HA ALA A 151 -1.726 3.602 -4.991 1.00 4.66 H new ATOM 0 HB1 ALA A 151 -2.474 3.831 -2.624 1.00 4.12 H new ATOM 0 HB2 ALA A 151 -3.842 3.611 -3.741 1.00 4.12 H new ATOM 0 HB3 ALA A 151 -3.278 2.247 -2.747 1.00 4.12 H new ATOM 2387 N PHE A 152 0.208 3.094 -3.496 1.00 4.15 N ATOM 2388 CA PHE A 152 1.484 2.748 -2.882 1.00 3.65 C ATOM 2389 C PHE A 152 1.642 3.511 -1.565 1.00 3.07 C ATOM 2390 O PHE A 152 1.204 4.654 -1.450 1.00 3.60 O ATOM 2391 CB PHE A 152 2.636 3.102 -3.822 1.00 4.44 C ATOM 2392 CG PHE A 152 2.826 2.129 -4.951 1.00 5.27 C ATOM 2393 CD1 PHE A 152 1.967 2.137 -6.038 1.00 5.74 C ATOM 2394 CD2 PHE A 152 3.857 1.204 -4.922 1.00 5.76 C ATOM 2395 CE1 PHE A 152 2.133 1.239 -7.076 1.00 6.61 C ATOM 2396 CE2 PHE A 152 4.027 0.304 -5.956 1.00 6.72 C ATOM 2397 CZ PHE A 152 3.190 0.336 -7.043 1.00 7.13 C ATOM 0 H PHE A 152 0.092 4.091 -3.676 1.00 4.15 H new ATOM 0 HA PHE A 152 1.504 1.676 -2.687 1.00 3.65 H new ATOM 0 HB2 PHE A 152 2.460 4.094 -4.237 1.00 4.44 H new ATOM 0 HB3 PHE A 152 3.559 3.157 -3.244 1.00 4.44 H new ATOM 0 HD1 PHE A 152 1.159 2.853 -6.075 1.00 5.74 H new ATOM 0 HD2 PHE A 152 4.535 1.186 -4.082 1.00 5.76 H new ATOM 0 HE1 PHE A 152 1.445 1.239 -7.909 1.00 6.61 H new ATOM 0 HE2 PHE A 152 4.821 -0.427 -5.909 1.00 6.72 H new ATOM 0 HZ PHE A 152 3.352 -0.338 -7.871 1.00 7.13 H new ATOM 2407 N VAL A 153 2.264 2.878 -0.572 1.00 2.26 N ATOM 2408 CA VAL A 153 2.441 3.504 0.740 1.00 2.07 C ATOM 2409 C VAL A 153 3.791 3.163 1.374 1.00 1.71 C ATOM 2410 O VAL A 153 4.343 2.089 1.152 1.00 1.46 O ATOM 2411 CB VAL A 153 1.311 3.113 1.725 1.00 1.96 C ATOM 2412 CG1 VAL A 153 1.579 3.688 3.108 1.00 2.68 C ATOM 2413 CG2 VAL A 153 -0.041 3.584 1.215 1.00 2.36 C ATOM 0 H VAL A 153 2.652 1.938 -0.648 1.00 2.26 H new ATOM 0 HA VAL A 153 2.403 4.578 0.556 1.00 2.07 H new ATOM 0 HB VAL A 153 1.293 2.026 1.797 1.00 1.96 H new ATOM 0 HG11 VAL A 153 0.773 3.401 3.784 1.00 2.68 H new ATOM 0 HG12 VAL A 153 2.525 3.300 3.486 1.00 2.68 H new ATOM 0 HG13 VAL A 153 1.631 4.775 3.046 1.00 2.68 H new ATOM 0 HG21 VAL A 153 -0.817 3.297 1.924 1.00 2.36 H new ATOM 0 HG22 VAL A 153 -0.031 4.669 1.106 1.00 2.36 H new ATOM 0 HG23 VAL A 153 -0.245 3.124 0.248 1.00 2.36 H new ATOM 2423 N THR A 154 4.311 4.101 2.157 1.00 2.20 N ATOM 2424 CA THR A 154 5.577 3.926 2.856 1.00 2.13 C ATOM 2425 C THR A 154 5.314 4.049 4.349 1.00 2.87 C ATOM 2426 O THR A 154 4.777 5.063 4.808 1.00 3.63 O ATOM 2427 CB THR A 154 6.607 4.990 2.431 1.00 2.53 C ATOM 2428 OG1 THR A 154 6.820 4.931 1.015 1.00 2.59 O ATOM 2429 CG2 THR A 154 7.932 4.806 3.152 1.00 2.45 C ATOM 0 H THR A 154 3.867 5.004 2.325 1.00 2.20 H new ATOM 0 HA THR A 154 5.987 2.947 2.608 1.00 2.13 H new ATOM 0 HB THR A 154 6.204 5.966 2.703 1.00 2.53 H new ATOM 0 HG1 THR A 154 7.764 4.738 0.834 1.00 2.59 H new ATOM 0 HG21 THR A 154 8.633 5.575 2.827 1.00 2.45 H new ATOM 0 HG22 THR A 154 7.776 4.889 4.227 1.00 2.45 H new ATOM 0 HG23 THR A 154 8.339 3.822 2.920 1.00 2.45 H new ATOM 2437 N PHE A 155 5.715 3.029 5.111 1.00 3.05 N ATOM 2438 CA PHE A 155 5.422 3.020 6.556 1.00 4.10 C ATOM 2439 C PHE A 155 6.656 2.861 7.448 1.00 4.59 C ATOM 2440 O PHE A 155 7.380 1.879 7.355 1.00 4.50 O ATOM 2441 CB PHE A 155 4.427 1.903 6.869 1.00 4.47 C ATOM 2442 CG PHE A 155 3.420 2.276 7.917 1.00 5.26 C ATOM 2443 CD1 PHE A 155 3.816 2.530 9.219 1.00 6.22 C ATOM 2444 CD2 PHE A 155 2.077 2.377 7.595 1.00 5.12 C ATOM 2445 CE1 PHE A 155 2.892 2.878 10.182 1.00 7.05 C ATOM 2446 CE2 PHE A 155 1.146 2.723 8.556 1.00 5.96 C ATOM 2447 CZ PHE A 155 1.552 2.976 9.850 1.00 6.93 C ATOM 0 H PHE A 155 6.230 2.217 4.769 1.00 3.05 H new ATOM 0 HA PHE A 155 5.004 4.000 6.784 1.00 4.10 H new ATOM 0 HB2 PHE A 155 3.903 1.627 5.954 1.00 4.47 H new ATOM 0 HB3 PHE A 155 4.975 1.021 7.200 1.00 4.47 H new ATOM 0 HD1 PHE A 155 4.860 2.455 9.484 1.00 6.22 H new ATOM 0 HD2 PHE A 155 1.754 2.183 6.583 1.00 5.12 H new ATOM 0 HE1 PHE A 155 3.214 3.074 11.194 1.00 7.05 H new ATOM 0 HE2 PHE A 155 0.101 2.795 8.294 1.00 5.96 H new ATOM 0 HZ PHE A 155 0.826 3.250 10.602 1.00 6.93 H new ATOM 2457 N THR A 156 6.808 3.804 8.378 1.00 5.34 N ATOM 2458 CA THR A 156 7.934 3.838 9.316 1.00 5.91 C ATOM 2459 C THR A 156 8.441 2.454 9.721 1.00 6.07 C ATOM 2460 O THR A 156 9.566 2.080 9.387 1.00 5.70 O ATOM 2461 CB THR A 156 7.565 4.616 10.590 1.00 7.03 C ATOM 2462 OG1 THR A 156 6.427 4.017 11.222 1.00 7.51 O ATOM 2463 CG2 THR A 156 7.263 6.066 10.259 1.00 7.22 C ATOM 0 H THR A 156 6.149 4.572 8.504 1.00 5.34 H new ATOM 0 HA THR A 156 8.738 4.340 8.777 1.00 5.91 H new ATOM 0 HB THR A 156 8.414 4.581 11.273 1.00 7.03 H new ATOM 0 HG1 THR A 156 6.201 4.519 12.033 1.00 7.51 H new ATOM 0 HG21 THR A 156 7.004 6.601 11.172 1.00 7.22 H new ATOM 0 HG22 THR A 156 8.141 6.526 9.805 1.00 7.22 H new ATOM 0 HG23 THR A 156 6.427 6.113 9.561 1.00 7.22 H new ATOM 2471 N THR A 157 7.625 1.698 10.450 1.00 6.77 N ATOM 2472 CA THR A 157 8.035 0.374 10.900 1.00 7.26 C ATOM 2473 C THR A 157 7.331 -0.722 10.117 1.00 6.99 C ATOM 2474 O THR A 157 6.119 -0.680 9.908 1.00 6.85 O ATOM 2475 CB THR A 157 7.757 0.184 12.401 1.00 8.46 C ATOM 2476 OG1 THR A 157 6.383 0.460 12.684 1.00 8.78 O ATOM 2477 CG2 THR A 157 8.645 1.097 13.236 1.00 8.87 C ATOM 0 H THR A 157 6.687 1.976 10.738 1.00 6.77 H new ATOM 0 HA THR A 157 9.108 0.300 10.724 1.00 7.26 H new ATOM 0 HB THR A 157 7.980 -0.851 12.660 1.00 8.46 H new ATOM 0 HG1 THR A 157 6.031 -0.222 13.293 1.00 8.78 H new ATOM 0 HG21 THR A 157 8.431 0.945 14.294 1.00 8.87 H new ATOM 0 HG22 THR A 157 9.692 0.864 13.041 1.00 8.87 H new ATOM 0 HG23 THR A 157 8.449 2.136 12.972 1.00 8.87 H new ATOM 2485 N ARG A 158 8.114 -1.706 9.683 1.00 7.05 N ATOM 2486 CA ARG A 158 7.592 -2.832 8.922 1.00 7.06 C ATOM 2487 C ARG A 158 6.479 -3.539 9.684 1.00 7.86 C ATOM 2488 O ARG A 158 5.449 -3.882 9.107 1.00 7.67 O ATOM 2489 CB ARG A 158 8.713 -3.818 8.611 1.00 7.38 C ATOM 2490 CG ARG A 158 9.614 -4.071 9.801 1.00 7.76 C ATOM 2491 CD ARG A 158 11.057 -3.719 9.485 1.00 8.64 C ATOM 2492 NE ARG A 158 11.191 -2.334 9.043 1.00 8.78 N ATOM 2493 CZ ARG A 158 12.298 -1.833 8.502 1.00 9.57 C ATOM 2494 NH1 ARG A 158 13.368 -2.600 8.341 1.00 10.24 N ATOM 2495 NH2 ARG A 158 12.338 -0.563 8.123 1.00 9.80 N ATOM 0 H ARG A 158 9.120 -1.744 9.848 1.00 7.05 H new ATOM 0 HA ARG A 158 7.179 -2.448 7.989 1.00 7.06 H new ATOM 0 HB2 ARG A 158 8.280 -4.762 8.281 1.00 7.38 H new ATOM 0 HB3 ARG A 158 9.310 -3.434 7.783 1.00 7.38 H new ATOM 0 HG2 ARG A 158 9.271 -3.481 10.651 1.00 7.76 H new ATOM 0 HG3 ARG A 158 9.549 -5.119 10.093 1.00 7.76 H new ATOM 0 HD2 ARG A 158 11.673 -3.880 10.370 1.00 8.64 H new ATOM 0 HD3 ARG A 158 11.433 -4.386 8.710 1.00 8.64 H new ATOM 0 HE ARG A 158 10.389 -1.714 9.156 1.00 8.78 H new ATOM 0 HH11 ARG A 158 13.344 -3.577 8.632 1.00 10.24 H new ATOM 0 HH12 ARG A 158 14.215 -2.213 7.926 1.00 10.24 H new ATOM 0 HH21 ARG A 158 11.519 0.032 8.246 1.00 9.80 H new ATOM 0 HH22 ARG A 158 13.188 -0.181 7.708 1.00 9.80 H new ATOM 2509 N ALA A 159 6.687 -3.746 10.981 1.00 8.79 N ATOM 2510 CA ALA A 159 5.689 -4.416 11.803 1.00 9.64 C ATOM 2511 C ALA A 159 4.352 -3.703 11.693 1.00 9.32 C ATOM 2512 O ALA A 159 3.317 -4.330 11.462 1.00 9.45 O ATOM 2513 CB ALA A 159 6.145 -4.477 13.252 1.00 10.64 C ATOM 0 H ALA A 159 7.530 -3.462 11.480 1.00 8.79 H new ATOM 0 HA ALA A 159 5.568 -5.437 11.440 1.00 9.64 H new ATOM 0 HB1 ALA A 159 5.387 -4.981 13.851 1.00 10.64 H new ATOM 0 HB2 ALA A 159 7.083 -5.028 13.315 1.00 10.64 H new ATOM 0 HB3 ALA A 159 6.293 -3.465 13.630 1.00 10.64 H new ATOM 2519 N MET A 160 4.388 -2.381 11.817 1.00 8.95 N ATOM 2520 CA MET A 160 3.179 -1.578 11.711 1.00 8.73 C ATOM 2521 C MET A 160 2.565 -1.761 10.333 1.00 7.79 C ATOM 2522 O MET A 160 1.346 -1.839 10.189 1.00 7.78 O ATOM 2523 CB MET A 160 3.485 -0.101 11.969 1.00 8.63 C ATOM 2524 CG MET A 160 3.405 0.285 13.439 1.00 9.38 C ATOM 2525 SD MET A 160 4.419 -0.771 14.492 1.00 10.41 S ATOM 2526 CE MET A 160 4.078 -0.073 16.106 1.00 11.44 C ATOM 0 H MET A 160 5.239 -1.846 11.990 1.00 8.95 H new ATOM 0 HA MET A 160 2.467 -1.911 12.467 1.00 8.73 H new ATOM 0 HB2 MET A 160 4.483 0.126 11.595 1.00 8.63 H new ATOM 0 HB3 MET A 160 2.785 0.512 11.401 1.00 8.63 H new ATOM 0 HG2 MET A 160 3.723 1.321 13.556 1.00 9.38 H new ATOM 0 HG3 MET A 160 2.367 0.231 13.769 1.00 9.38 H new ATOM 0 HE1 MET A 160 4.635 -0.622 16.865 1.00 11.44 H new ATOM 0 HE2 MET A 160 4.380 0.974 16.121 1.00 11.44 H new ATOM 0 HE3 MET A 160 3.011 -0.146 16.316 1.00 11.44 H new ATOM 2536 N ALA A 161 3.426 -1.859 9.326 1.00 7.04 N ATOM 2537 CA ALA A 161 2.972 -2.047 7.960 1.00 6.16 C ATOM 2538 C ALA A 161 2.217 -3.361 7.841 1.00 6.64 C ATOM 2539 O ALA A 161 1.184 -3.441 7.175 1.00 6.28 O ATOM 2540 CB ALA A 161 4.149 -2.022 7.002 1.00 5.48 C ATOM 0 H ALA A 161 4.439 -1.811 9.433 1.00 7.04 H new ATOM 0 HA ALA A 161 2.300 -1.230 7.697 1.00 6.16 H new ATOM 0 HB1 ALA A 161 3.791 -2.164 5.982 1.00 5.48 H new ATOM 0 HB2 ALA A 161 4.659 -1.061 7.077 1.00 5.48 H new ATOM 0 HB3 ALA A 161 4.843 -2.822 7.258 1.00 5.48 H new ATOM 2546 N GLN A 162 2.729 -4.386 8.518 1.00 7.56 N ATOM 2547 CA GLN A 162 2.113 -5.699 8.488 1.00 8.22 C ATOM 2548 C GLN A 162 0.702 -5.625 9.045 1.00 8.56 C ATOM 2549 O GLN A 162 -0.199 -6.327 8.584 1.00 8.70 O ATOM 2550 CB GLN A 162 2.948 -6.697 9.288 1.00 9.22 C ATOM 2551 CG GLN A 162 4.300 -6.988 8.658 1.00 9.05 C ATOM 2552 CD GLN A 162 5.157 -7.904 9.508 1.00 10.06 C ATOM 2553 OE1 GLN A 162 4.645 -8.747 10.244 1.00 10.94 O ATOM 2554 NE2 GLN A 162 6.471 -7.743 9.408 1.00 9.99 N ATOM 0 H GLN A 162 3.570 -4.327 9.093 1.00 7.56 H new ATOM 0 HA GLN A 162 2.065 -6.040 7.454 1.00 8.22 H new ATOM 0 HB2 GLN A 162 3.100 -6.309 10.295 1.00 9.22 H new ATOM 0 HB3 GLN A 162 2.392 -7.629 9.386 1.00 9.22 H new ATOM 0 HG2 GLN A 162 4.150 -7.443 7.679 1.00 9.05 H new ATOM 0 HG3 GLN A 162 4.830 -6.049 8.495 1.00 9.05 H new ATOM 0 HE21 GLN A 162 6.852 -7.031 8.785 1.00 9.99 H new ATOM 0 HE22 GLN A 162 7.100 -8.331 9.955 1.00 9.99 H new ATOM 2563 N THR A 163 0.512 -4.753 10.029 1.00 8.76 N ATOM 2564 CA THR A 163 -0.793 -4.579 10.639 1.00 9.19 C ATOM 2565 C THR A 163 -1.799 -4.131 9.586 1.00 8.39 C ATOM 2566 O THR A 163 -2.924 -4.632 9.533 1.00 8.67 O ATOM 2567 CB THR A 163 -0.742 -3.553 11.790 1.00 9.62 C ATOM 2568 OG1 THR A 163 0.071 -4.059 12.857 1.00 10.45 O ATOM 2569 CG2 THR A 163 -2.137 -3.250 12.318 1.00 10.08 C ATOM 0 H THR A 163 1.245 -4.159 10.417 1.00 8.76 H new ATOM 0 HA THR A 163 -1.104 -5.537 11.056 1.00 9.19 H new ATOM 0 HB THR A 163 -0.311 -2.630 11.401 1.00 9.62 H new ATOM 0 HG1 THR A 163 0.101 -3.403 13.584 1.00 10.45 H new ATOM 0 HG21 THR A 163 -2.070 -2.524 13.128 1.00 10.08 H new ATOM 0 HG22 THR A 163 -2.749 -2.841 11.514 1.00 10.08 H new ATOM 0 HG23 THR A 163 -2.592 -4.168 12.690 1.00 10.08 H new ATOM 2577 N ALA A 164 -1.368 -3.210 8.727 1.00 7.40 N ATOM 2578 CA ALA A 164 -2.223 -2.695 7.667 1.00 6.57 C ATOM 2579 C ALA A 164 -2.723 -3.827 6.785 1.00 6.51 C ATOM 2580 O ALA A 164 -3.867 -3.817 6.328 1.00 6.33 O ATOM 2581 CB ALA A 164 -1.471 -1.672 6.826 1.00 5.56 C ATOM 0 H ALA A 164 -0.431 -2.807 8.747 1.00 7.40 H new ATOM 0 HA ALA A 164 -3.082 -2.208 8.129 1.00 6.57 H new ATOM 0 HB1 ALA A 164 -2.125 -1.297 6.038 1.00 5.56 H new ATOM 0 HB2 ALA A 164 -1.154 -0.843 7.459 1.00 5.56 H new ATOM 0 HB3 ALA A 164 -0.596 -2.142 6.378 1.00 5.56 H new ATOM 2587 N ILE A 165 -1.860 -4.811 6.565 1.00 6.81 N ATOM 2588 CA ILE A 165 -2.196 -5.951 5.732 1.00 7.06 C ATOM 2589 C ILE A 165 -3.427 -6.669 6.271 1.00 7.79 C ATOM 2590 O ILE A 165 -4.352 -6.981 5.520 1.00 7.66 O ATOM 2591 CB ILE A 165 -1.014 -6.939 5.646 1.00 7.65 C ATOM 2592 CG1 ILE A 165 0.199 -6.249 5.015 1.00 6.92 C ATOM 2593 CG2 ILE A 165 -1.401 -8.178 4.852 1.00 8.25 C ATOM 2594 CD1 ILE A 165 1.463 -7.081 5.046 1.00 7.54 C ATOM 0 H ILE A 165 -0.918 -4.839 6.956 1.00 6.81 H new ATOM 0 HA ILE A 165 -2.414 -5.577 4.732 1.00 7.06 H new ATOM 0 HB ILE A 165 -0.752 -7.257 6.655 1.00 7.65 H new ATOM 0 HG12 ILE A 165 -0.035 -6.000 3.980 1.00 6.92 H new ATOM 0 HG13 ILE A 165 0.382 -5.309 5.536 1.00 6.92 H new ATOM 0 HG21 ILE A 165 -0.552 -8.860 4.805 1.00 8.25 H new ATOM 0 HG22 ILE A 165 -2.239 -8.676 5.340 1.00 8.25 H new ATOM 0 HG23 ILE A 165 -1.689 -7.887 3.842 1.00 8.25 H new ATOM 0 HD11 ILE A 165 2.277 -6.524 4.581 1.00 7.54 H new ATOM 0 HD12 ILE A 165 1.723 -7.309 6.080 1.00 7.54 H new ATOM 0 HD13 ILE A 165 1.301 -8.010 4.500 1.00 7.54 H new ATOM 2606 N LYS A 166 -3.454 -6.892 7.579 1.00 8.61 N ATOM 2607 CA LYS A 166 -4.573 -7.584 8.201 1.00 9.40 C ATOM 2608 C LYS A 166 -5.834 -6.731 8.132 1.00 8.92 C ATOM 2609 O LYS A 166 -6.951 -7.249 8.104 1.00 9.17 O ATOM 2610 CB LYS A 166 -4.246 -7.922 9.657 1.00 10.41 C ATOM 2611 CG LYS A 166 -5.370 -8.643 10.386 1.00 11.21 C ATOM 2612 CD LYS A 166 -5.682 -9.983 9.749 1.00 11.56 C ATOM 2613 CE LYS A 166 -6.673 -10.781 10.582 1.00 12.63 C ATOM 2614 NZ LYS A 166 -7.018 -12.080 9.940 1.00 13.37 N ATOM 0 H LYS A 166 -2.719 -6.605 8.225 1.00 8.61 H new ATOM 0 HA LYS A 166 -4.750 -8.511 7.656 1.00 9.40 H new ATOM 0 HB2 LYS A 166 -3.351 -8.543 9.684 1.00 10.41 H new ATOM 0 HB3 LYS A 166 -4.011 -7.001 10.190 1.00 10.41 H new ATOM 0 HG2 LYS A 166 -5.091 -8.792 11.429 1.00 11.21 H new ATOM 0 HG3 LYS A 166 -6.265 -8.021 10.381 1.00 11.21 H new ATOM 0 HD2 LYS A 166 -6.089 -9.826 8.750 1.00 11.56 H new ATOM 0 HD3 LYS A 166 -4.761 -10.554 9.632 1.00 11.56 H new ATOM 0 HE2 LYS A 166 -6.251 -10.965 11.570 1.00 12.63 H new ATOM 0 HE3 LYS A 166 -7.581 -10.195 10.727 1.00 12.63 H new ATOM 0 HZ1 LYS A 166 -7.696 -12.594 10.539 1.00 13.37 H new ATOM 0 HZ2 LYS A 166 -7.444 -11.904 9.008 1.00 13.37 H new ATOM 0 HZ3 LYS A 166 -6.156 -12.650 9.825 1.00 13.37 H new ATOM 2628 N ALA A 167 -5.641 -5.419 8.103 1.00 8.28 N ATOM 2629 CA ALA A 167 -6.750 -4.479 8.045 1.00 7.90 C ATOM 2630 C ALA A 167 -7.359 -4.401 6.651 1.00 6.96 C ATOM 2631 O ALA A 167 -8.538 -4.076 6.501 1.00 6.80 O ATOM 2632 CB ALA A 167 -6.293 -3.101 8.494 1.00 7.77 C ATOM 0 H ALA A 167 -4.720 -4.981 8.119 1.00 8.28 H new ATOM 0 HA ALA A 167 -7.524 -4.843 8.721 1.00 7.90 H new ATOM 0 HB1 ALA A 167 -7.131 -2.406 8.446 1.00 7.77 H new ATOM 0 HB2 ALA A 167 -5.925 -3.156 9.518 1.00 7.77 H new ATOM 0 HB3 ALA A 167 -5.494 -2.751 7.840 1.00 7.77 H new ATOM 2638 N MET A 168 -6.559 -4.694 5.626 1.00 6.41 N ATOM 2639 CA MET A 168 -7.040 -4.613 4.250 1.00 5.59 C ATOM 2640 C MET A 168 -6.933 -5.953 3.527 1.00 6.06 C ATOM 2641 O MET A 168 -7.945 -6.559 3.180 1.00 6.21 O ATOM 2642 CB MET A 168 -6.257 -3.546 3.484 1.00 4.61 C ATOM 2643 CG MET A 168 -6.082 -2.247 4.257 1.00 4.37 C ATOM 2644 SD MET A 168 -7.628 -1.625 4.948 1.00 4.25 S ATOM 2645 CE MET A 168 -8.596 -1.384 3.461 1.00 4.06 C ATOM 0 H MET A 168 -5.586 -4.986 5.721 1.00 6.41 H new ATOM 0 HA MET A 168 -8.095 -4.340 4.287 1.00 5.59 H new ATOM 0 HB2 MET A 168 -5.274 -3.942 3.228 1.00 4.61 H new ATOM 0 HB3 MET A 168 -6.770 -3.335 2.546 1.00 4.61 H new ATOM 0 HG2 MET A 168 -5.367 -2.404 5.064 1.00 4.37 H new ATOM 0 HG3 MET A 168 -5.656 -1.492 3.596 1.00 4.37 H new ATOM 0 HE1 MET A 168 -9.380 -0.652 3.652 1.00 4.06 H new ATOM 0 HE2 MET A 168 -7.950 -1.023 2.661 1.00 4.06 H new ATOM 0 HE3 MET A 168 -9.048 -2.330 3.164 1.00 4.06 H new ATOM 2655 N HIS A 169 -5.702 -6.401 3.293 1.00 6.40 N ATOM 2656 CA HIS A 169 -5.460 -7.664 2.599 1.00 7.11 C ATOM 2657 C HIS A 169 -6.359 -8.771 3.143 1.00 8.00 C ATOM 2658 O HIS A 169 -7.175 -9.335 2.413 1.00 8.44 O ATOM 2659 CB HIS A 169 -3.993 -8.067 2.732 1.00 7.58 C ATOM 2660 CG HIS A 169 -3.588 -9.176 1.811 1.00 8.20 C ATOM 2661 ND1 HIS A 169 -4.120 -10.447 1.880 1.00 9.21 N ATOM 2662 CD2 HIS A 169 -2.701 -9.197 0.788 1.00 8.09 C ATOM 2663 CE1 HIS A 169 -3.573 -11.203 0.943 1.00 9.66 C ATOM 2664 NE2 HIS A 169 -2.711 -10.467 0.267 1.00 9.05 N ATOM 0 H HIS A 169 -4.855 -5.907 3.574 1.00 6.40 H new ATOM 0 HA HIS A 169 -5.696 -7.521 1.545 1.00 7.11 H new ATOM 0 HB2 HIS A 169 -3.367 -7.197 2.536 1.00 7.58 H new ATOM 0 HB3 HIS A 169 -3.801 -8.372 3.761 1.00 7.58 H new ATOM 0 HD2 HIS A 169 -2.098 -8.369 0.446 1.00 8.09 H new ATOM 0 HE1 HIS A 169 -3.794 -12.245 0.762 1.00 9.66 H new ATOM 0 HE2 HIS A 169 -2.143 -10.790 -0.517 1.00 9.05 H new ATOM 2673 N GLN A 170 -6.205 -9.079 4.426 1.00 8.38 N ATOM 2674 CA GLN A 170 -7.010 -10.112 5.068 1.00 9.26 C ATOM 2675 C GLN A 170 -8.277 -9.511 5.666 1.00 8.98 C ATOM 2676 O GLN A 170 -8.620 -9.778 6.819 1.00 9.60 O ATOM 2677 CB GLN A 170 -6.203 -10.826 6.156 1.00 10.15 C ATOM 2678 CG GLN A 170 -5.398 -12.011 5.648 1.00 10.35 C ATOM 2679 CD GLN A 170 -4.287 -11.608 4.698 1.00 10.22 C ATOM 2680 OE1 GLN A 170 -3.733 -10.419 4.899 1.00 10.51 O flip ATOM 2681 NE2 GLN A 170 -3.925 -12.365 3.795 1.00 10.01 N flip ATOM 0 H GLN A 170 -5.529 -8.628 5.043 1.00 8.38 H new ATOM 0 HA GLN A 170 -7.294 -10.841 4.309 1.00 9.26 H new ATOM 0 HB2 GLN A 170 -5.524 -10.110 6.620 1.00 10.15 H new ATOM 0 HB3 GLN A 170 -6.885 -11.169 6.934 1.00 10.15 H new ATOM 0 HG2 GLN A 170 -4.968 -12.542 6.497 1.00 10.35 H new ATOM 0 HG3 GLN A 170 -6.067 -12.707 5.142 1.00 10.35 H new ATOM 0 HE21 GLN A 170 -4.379 -13.271 3.676 1.00 10.01 H new ATOM 0 HE22 GLN A 170 -3.172 -12.086 3.167 1.00 10.01 H new ATOM 2690 N ALA A 171 -8.969 -8.694 4.876 1.00 8.13 N ATOM 2691 CA ALA A 171 -10.194 -8.052 5.333 1.00 7.83 C ATOM 2692 C ALA A 171 -11.172 -7.830 4.183 1.00 7.35 C ATOM 2693 O ALA A 171 -12.262 -8.398 4.171 1.00 7.32 O ATOM 2694 CB ALA A 171 -9.870 -6.729 6.012 1.00 7.29 C ATOM 0 H ALA A 171 -8.702 -8.463 3.919 1.00 8.13 H new ATOM 0 HA ALA A 171 -10.672 -8.717 6.052 1.00 7.83 H new ATOM 0 HB1 ALA A 171 -10.793 -6.258 6.350 1.00 7.29 H new ATOM 0 HB2 ALA A 171 -9.220 -6.909 6.868 1.00 7.29 H new ATOM 0 HB3 ALA A 171 -9.364 -6.071 5.305 1.00 7.29 H new ATOM 2700 N GLN A 172 -10.770 -7.005 3.217 1.00 7.13 N ATOM 2701 CA GLN A 172 -11.613 -6.692 2.062 1.00 6.86 C ATOM 2702 C GLN A 172 -12.886 -5.985 2.503 1.00 7.25 C ATOM 2703 O GLN A 172 -13.354 -6.161 3.628 1.00 7.95 O ATOM 2704 CB GLN A 172 -11.959 -7.953 1.269 1.00 7.25 C ATOM 2705 CG GLN A 172 -10.837 -8.979 1.212 1.00 7.68 C ATOM 2706 CD GLN A 172 -11.288 -10.309 0.640 1.00 8.46 C ATOM 2707 OE1 GLN A 172 -12.210 -10.368 -0.173 1.00 8.78 O ATOM 2708 NE2 GLN A 172 -10.635 -11.387 1.062 1.00 8.94 N ATOM 0 H GLN A 172 -9.862 -6.539 3.211 1.00 7.13 H new ATOM 0 HA GLN A 172 -11.047 -6.026 1.411 1.00 6.86 H new ATOM 0 HB2 GLN A 172 -12.840 -8.418 1.712 1.00 7.25 H new ATOM 0 HB3 GLN A 172 -12.227 -7.667 0.252 1.00 7.25 H new ATOM 0 HG2 GLN A 172 -10.021 -8.586 0.606 1.00 7.68 H new ATOM 0 HG3 GLN A 172 -10.442 -9.135 2.216 1.00 7.68 H new ATOM 0 HE21 GLN A 172 -9.876 -11.292 1.737 1.00 8.94 H new ATOM 0 HE22 GLN A 172 -10.892 -12.309 0.711 1.00 8.94 H new ATOM 2717 N THR A 173 -13.432 -5.172 1.609 1.00 6.89 N ATOM 2718 CA THR A 173 -14.652 -4.425 1.894 1.00 7.27 C ATOM 2719 C THR A 173 -15.697 -5.298 2.584 1.00 8.12 C ATOM 2720 O THR A 173 -16.124 -4.997 3.701 1.00 8.79 O ATOM 2721 CB THR A 173 -15.246 -3.821 0.608 1.00 6.67 C ATOM 2722 OG1 THR A 173 -16.533 -3.254 0.879 1.00 7.09 O ATOM 2723 CG2 THR A 173 -15.366 -4.869 -0.488 1.00 6.49 C ATOM 0 H THR A 173 -13.049 -5.012 0.677 1.00 6.89 H new ATOM 0 HA THR A 173 -14.378 -3.616 2.571 1.00 7.27 H new ATOM 0 HB THR A 173 -14.571 -3.039 0.261 1.00 6.67 H new ATOM 0 HG1 THR A 173 -16.975 -3.027 0.034 1.00 7.09 H new ATOM 0 HG21 THR A 173 -15.788 -4.413 -1.383 1.00 6.49 H new ATOM 0 HG22 THR A 173 -14.379 -5.271 -0.717 1.00 6.49 H new ATOM 0 HG23 THR A 173 -16.017 -5.676 -0.150 1.00 6.49 H new ATOM 2731 N MET A 174 -16.091 -6.387 1.927 1.00 8.29 N ATOM 2732 CA MET A 174 -17.082 -7.307 2.476 1.00 9.27 C ATOM 2733 C MET A 174 -18.312 -6.580 2.989 1.00 9.76 C ATOM 2734 O MET A 174 -18.469 -5.386 2.751 1.00 10.07 O ATOM 2735 CB MET A 174 -16.437 -8.160 3.561 1.00 9.97 C ATOM 2736 CG MET A 174 -15.247 -8.945 3.036 1.00 9.62 C ATOM 2737 SD MET A 174 -14.608 -10.136 4.230 1.00 10.64 S ATOM 2738 CE MET A 174 -15.973 -11.294 4.320 1.00 11.58 C ATOM 0 H MET A 174 -15.736 -6.654 1.009 1.00 8.29 H new ATOM 0 HA MET A 174 -17.429 -7.960 1.675 1.00 9.27 H new ATOM 0 HB2 MET A 174 -16.115 -7.519 4.382 1.00 9.97 H new ATOM 0 HB3 MET A 174 -17.176 -8.851 3.967 1.00 9.97 H new ATOM 0 HG2 MET A 174 -15.538 -9.471 2.127 1.00 9.62 H new ATOM 0 HG3 MET A 174 -14.452 -8.251 2.763 1.00 9.62 H new ATOM 0 HE1 MET A 174 -15.614 -12.250 4.701 1.00 11.58 H new ATOM 0 HE2 MET A 174 -16.740 -10.901 4.988 1.00 11.58 H new ATOM 0 HE3 MET A 174 -16.396 -11.436 3.326 1.00 11.58 H new ATOM 2748 N GLU A 175 -19.173 -7.325 3.689 1.00 9.99 N ATOM 2749 CA GLU A 175 -20.432 -6.821 4.234 1.00 10.53 C ATOM 2750 C GLU A 175 -21.280 -6.146 3.146 1.00 10.39 C ATOM 2751 O GLU A 175 -22.332 -6.666 2.776 1.00 11.07 O ATOM 2752 CB GLU A 175 -20.194 -5.935 5.466 1.00 10.50 C ATOM 2753 CG GLU A 175 -19.280 -4.740 5.264 1.00 9.82 C ATOM 2754 CD GLU A 175 -19.107 -3.920 6.528 1.00 10.17 C ATOM 2755 OE1 GLU A 175 -19.926 -3.005 6.756 1.00 10.29 O ATOM 2756 OE2 GLU A 175 -18.156 -4.194 7.288 1.00 10.48 O ATOM 0 H GLU A 175 -19.010 -8.311 3.895 1.00 9.99 H new ATOM 0 HA GLU A 175 -21.018 -7.669 4.587 1.00 10.53 H new ATOM 0 HB2 GLU A 175 -21.159 -5.572 5.819 1.00 10.50 H new ATOM 0 HB3 GLU A 175 -19.777 -6.556 6.259 1.00 10.50 H new ATOM 0 HG2 GLU A 175 -18.304 -5.087 4.923 1.00 9.82 H new ATOM 0 HG3 GLU A 175 -19.686 -4.106 4.476 1.00 9.82 H new ATOM 2763 N GLY A 176 -20.839 -5.003 2.635 1.00 9.65 N ATOM 2764 CA GLY A 176 -21.555 -4.350 1.558 1.00 9.66 C ATOM 2765 C GLY A 176 -21.014 -4.840 0.232 1.00 8.99 C ATOM 2766 O GLY A 176 -21.603 -4.618 -0.825 1.00 9.20 O ATOM 0 H GLY A 176 -19.998 -4.517 2.948 1.00 9.65 H new ATOM 0 HA2 GLY A 176 -22.621 -4.565 1.631 1.00 9.66 H new ATOM 0 HA3 GLY A 176 -21.442 -3.268 1.633 1.00 9.66 H new ATOM 2770 N CYS A 177 -19.880 -5.539 0.337 1.00 8.35 N ATOM 2771 CA CYS A 177 -19.161 -6.129 -0.791 1.00 7.87 C ATOM 2772 C CYS A 177 -18.902 -5.156 -1.933 1.00 7.48 C ATOM 2773 O CYS A 177 -19.684 -4.248 -2.210 1.00 7.40 O ATOM 2774 CB CYS A 177 -19.866 -7.376 -1.328 1.00 7.33 C ATOM 2775 SG CYS A 177 -21.539 -7.645 -0.692 1.00 7.86 S ATOM 0 H CYS A 177 -19.426 -5.714 1.234 1.00 8.35 H new ATOM 0 HA CYS A 177 -18.191 -6.411 -0.382 1.00 7.87 H new ATOM 0 HB2 CYS A 177 -19.914 -7.308 -2.415 1.00 7.33 H new ATOM 0 HB3 CYS A 177 -19.259 -8.249 -1.090 1.00 7.33 H new ATOM 0 HG CYS A 177 -22.034 -8.726 -1.217 1.00 7.86 H new ATOM 2781 N SER A 178 -17.771 -5.376 -2.588 1.00 7.49 N ATOM 2782 CA SER A 178 -17.352 -4.577 -3.726 1.00 7.32 C ATOM 2783 C SER A 178 -16.278 -5.332 -4.497 1.00 6.67 C ATOM 2784 O SER A 178 -16.325 -5.397 -5.723 1.00 6.52 O ATOM 2785 CB SER A 178 -16.818 -3.210 -3.284 1.00 7.64 C ATOM 2786 OG SER A 178 -17.566 -2.689 -2.200 1.00 7.57 O ATOM 0 H SER A 178 -17.116 -6.118 -2.342 1.00 7.49 H new ATOM 0 HA SER A 178 -18.217 -4.403 -4.365 1.00 7.32 H new ATOM 0 HB2 SER A 178 -15.771 -3.303 -2.994 1.00 7.64 H new ATOM 0 HB3 SER A 178 -16.856 -2.514 -4.122 1.00 7.64 H new ATOM 0 HG SER A 178 -18.514 -2.906 -2.322 1.00 7.57 H new ATOM 2792 N SER A 179 -15.337 -5.933 -3.750 1.00 6.58 N ATOM 2793 CA SER A 179 -14.227 -6.700 -4.318 1.00 6.32 C ATOM 2794 C SER A 179 -13.207 -6.983 -3.236 1.00 6.17 C ATOM 2795 O SER A 179 -13.091 -6.220 -2.277 1.00 6.12 O ATOM 2796 CB SER A 179 -13.491 -5.950 -5.435 1.00 6.36 C ATOM 2797 OG SER A 179 -14.276 -5.823 -6.606 1.00 6.70 O ATOM 0 H SER A 179 -15.329 -5.897 -2.731 1.00 6.58 H new ATOM 0 HA SER A 179 -14.663 -7.610 -4.731 1.00 6.32 H new ATOM 0 HB2 SER A 179 -13.210 -4.959 -5.080 1.00 6.36 H new ATOM 0 HB3 SER A 179 -12.567 -6.476 -5.675 1.00 6.36 H new ATOM 0 HG SER A 179 -15.217 -5.986 -6.388 1.00 6.70 H new ATOM 2803 N PRO A 180 -12.451 -8.077 -3.360 1.00 6.43 N ATOM 2804 CA PRO A 180 -11.416 -8.386 -2.394 1.00 6.66 C ATOM 2805 C PRO A 180 -10.347 -7.308 -2.436 1.00 5.98 C ATOM 2806 O PRO A 180 -10.125 -6.693 -3.477 1.00 5.75 O ATOM 2807 CB PRO A 180 -10.853 -9.731 -2.862 1.00 7.45 C ATOM 2808 CG PRO A 180 -11.240 -9.832 -4.297 1.00 7.34 C ATOM 2809 CD PRO A 180 -12.537 -9.085 -4.428 1.00 6.88 C ATOM 0 HA PRO A 180 -11.782 -8.432 -1.368 1.00 6.66 H new ATOM 0 HB2 PRO A 180 -9.770 -9.769 -2.741 1.00 7.45 H new ATOM 0 HB3 PRO A 180 -11.268 -10.556 -2.282 1.00 7.45 H new ATOM 0 HG2 PRO A 180 -10.473 -9.399 -4.940 1.00 7.34 H new ATOM 0 HG3 PRO A 180 -11.357 -10.873 -4.598 1.00 7.34 H new ATOM 0 HD2 PRO A 180 -12.639 -8.624 -5.410 1.00 6.88 H new ATOM 0 HD3 PRO A 180 -13.396 -9.742 -4.294 1.00 6.88 H new ATOM 2817 N MET A 181 -9.686 -7.077 -1.320 1.00 5.81 N ATOM 2818 CA MET A 181 -8.639 -6.067 -1.271 1.00 5.16 C ATOM 2819 C MET A 181 -7.320 -6.711 -0.880 1.00 5.72 C ATOM 2820 O MET A 181 -7.258 -7.521 0.043 1.00 6.38 O ATOM 2821 CB MET A 181 -9.004 -4.954 -0.286 1.00 4.42 C ATOM 2822 CG MET A 181 -8.556 -3.575 -0.744 1.00 3.57 C ATOM 2823 SD MET A 181 -9.191 -2.253 0.304 1.00 3.07 S ATOM 2824 CE MET A 181 -10.954 -2.423 0.035 1.00 3.26 C ATOM 0 H MET A 181 -9.850 -7.567 -0.441 1.00 5.81 H new ATOM 0 HA MET A 181 -8.537 -5.621 -2.261 1.00 5.16 H new ATOM 0 HB2 MET A 181 -10.084 -4.948 -0.140 1.00 4.42 H new ATOM 0 HB3 MET A 181 -8.553 -5.172 0.682 1.00 4.42 H new ATOM 0 HG2 MET A 181 -7.467 -3.535 -0.752 1.00 3.57 H new ATOM 0 HG3 MET A 181 -8.888 -3.412 -1.769 1.00 3.57 H new ATOM 0 HE1 MET A 181 -11.447 -1.473 0.242 1.00 3.26 H new ATOM 0 HE2 MET A 181 -11.138 -2.709 -1.000 1.00 3.26 H new ATOM 0 HE3 MET A 181 -11.351 -3.190 0.700 1.00 3.26 H new ATOM 2834 N VAL A 182 -6.269 -6.343 -1.602 1.00 5.55 N ATOM 2835 CA VAL A 182 -4.951 -6.918 -1.379 1.00 6.08 C ATOM 2836 C VAL A 182 -3.887 -5.859 -1.097 1.00 5.39 C ATOM 2837 O VAL A 182 -3.723 -4.902 -1.853 1.00 4.91 O ATOM 2838 CB VAL A 182 -4.532 -7.755 -2.607 1.00 6.97 C ATOM 2839 CG1 VAL A 182 -4.974 -7.065 -3.892 1.00 6.80 C ATOM 2840 CG2 VAL A 182 -3.030 -8.007 -2.619 1.00 7.45 C ATOM 0 H VAL A 182 -6.305 -5.648 -2.348 1.00 5.55 H new ATOM 0 HA VAL A 182 -5.023 -7.551 -0.494 1.00 6.08 H new ATOM 0 HB VAL A 182 -5.028 -8.723 -2.542 1.00 6.97 H new ATOM 0 HG11 VAL A 182 -4.672 -7.666 -4.750 1.00 6.80 H new ATOM 0 HG12 VAL A 182 -6.058 -6.953 -3.891 1.00 6.80 H new ATOM 0 HG13 VAL A 182 -4.508 -6.082 -3.956 1.00 6.80 H new ATOM 0 HG21 VAL A 182 -2.767 -8.599 -3.496 1.00 7.45 H new ATOM 0 HG22 VAL A 182 -2.501 -7.054 -2.653 1.00 7.45 H new ATOM 0 HG23 VAL A 182 -2.745 -8.549 -1.717 1.00 7.45 H new ATOM 2850 N VAL A 183 -3.167 -6.055 0.006 1.00 5.50 N ATOM 2851 CA VAL A 183 -2.089 -5.159 0.408 1.00 4.93 C ATOM 2852 C VAL A 183 -0.917 -5.979 0.938 1.00 5.68 C ATOM 2853 O VAL A 183 -1.079 -6.765 1.872 1.00 6.34 O ATOM 2854 CB VAL A 183 -2.545 -4.163 1.494 1.00 4.22 C ATOM 2855 CG1 VAL A 183 -1.415 -3.211 1.859 1.00 3.70 C ATOM 2856 CG2 VAL A 183 -3.774 -3.391 1.032 1.00 3.54 C ATOM 0 H VAL A 183 -3.315 -6.838 0.643 1.00 5.50 H new ATOM 0 HA VAL A 183 -1.788 -4.587 -0.469 1.00 4.93 H new ATOM 0 HB VAL A 183 -2.814 -4.729 2.386 1.00 4.22 H new ATOM 0 HG11 VAL A 183 -1.758 -2.517 2.626 1.00 3.70 H new ATOM 0 HG12 VAL A 183 -0.567 -3.781 2.238 1.00 3.70 H new ATOM 0 HG13 VAL A 183 -1.110 -2.652 0.974 1.00 3.70 H new ATOM 0 HG21 VAL A 183 -4.080 -2.694 1.812 1.00 3.54 H new ATOM 0 HG22 VAL A 183 -3.536 -2.838 0.124 1.00 3.54 H new ATOM 0 HG23 VAL A 183 -4.587 -4.088 0.829 1.00 3.54 H new ATOM 2866 N LYS A 184 0.262 -5.800 0.346 1.00 5.70 N ATOM 2867 CA LYS A 184 1.436 -6.561 0.768 1.00 6.41 C ATOM 2868 C LYS A 184 2.725 -5.756 0.648 1.00 5.98 C ATOM 2869 O LYS A 184 2.884 -4.936 -0.256 1.00 5.49 O ATOM 2870 CB LYS A 184 1.550 -7.840 -0.065 1.00 7.46 C ATOM 2871 CG LYS A 184 2.777 -8.679 0.267 1.00 7.98 C ATOM 2872 CD LYS A 184 2.961 -9.822 -0.720 1.00 8.81 C ATOM 2873 CE LYS A 184 3.234 -9.313 -2.127 1.00 8.99 C ATOM 2874 NZ LYS A 184 3.538 -10.422 -3.071 1.00 9.80 N ATOM 0 H LYS A 184 0.429 -5.144 -0.417 1.00 5.70 H new ATOM 0 HA LYS A 184 1.301 -6.807 1.821 1.00 6.41 H new ATOM 0 HB2 LYS A 184 0.656 -8.444 0.088 1.00 7.46 H new ATOM 0 HB3 LYS A 184 1.578 -7.574 -1.122 1.00 7.46 H new ATOM 0 HG2 LYS A 184 3.664 -8.045 0.260 1.00 7.98 H new ATOM 0 HG3 LYS A 184 2.681 -9.081 1.276 1.00 7.98 H new ATOM 0 HD2 LYS A 184 3.788 -10.454 -0.395 1.00 8.81 H new ATOM 0 HD3 LYS A 184 2.067 -10.445 -0.726 1.00 8.81 H new ATOM 0 HE2 LYS A 184 2.367 -8.758 -2.486 1.00 8.99 H new ATOM 0 HE3 LYS A 184 4.072 -8.616 -2.104 1.00 8.99 H new ATOM 0 HZ1 LYS A 184 3.718 -10.032 -4.018 1.00 9.80 H new ATOM 0 HZ2 LYS A 184 4.380 -10.936 -2.743 1.00 9.80 H new ATOM 0 HZ3 LYS A 184 2.729 -11.074 -3.113 1.00 9.80 H new ATOM 2888 N PHE A 185 3.643 -6.009 1.578 1.00 6.30 N ATOM 2889 CA PHE A 185 4.940 -5.345 1.597 1.00 5.99 C ATOM 2890 C PHE A 185 5.701 -5.624 0.304 1.00 6.35 C ATOM 2891 O PHE A 185 5.659 -6.738 -0.220 1.00 7.24 O ATOM 2892 CB PHE A 185 5.754 -5.848 2.790 1.00 6.57 C ATOM 2893 CG PHE A 185 6.553 -4.783 3.480 1.00 6.08 C ATOM 2894 CD1 PHE A 185 7.677 -4.239 2.880 1.00 5.74 C ATOM 2895 CD2 PHE A 185 6.182 -4.330 4.735 1.00 6.14 C ATOM 2896 CE1 PHE A 185 8.416 -3.262 3.519 1.00 5.34 C ATOM 2897 CE2 PHE A 185 6.916 -3.355 5.380 1.00 5.81 C ATOM 2898 CZ PHE A 185 8.034 -2.820 4.771 1.00 5.34 C ATOM 0 H PHE A 185 3.508 -6.678 2.336 1.00 6.30 H new ATOM 0 HA PHE A 185 4.783 -4.270 1.686 1.00 5.99 H new ATOM 0 HB2 PHE A 185 5.076 -6.304 3.512 1.00 6.57 H new ATOM 0 HB3 PHE A 185 6.431 -6.632 2.450 1.00 6.57 H new ATOM 0 HD1 PHE A 185 7.979 -4.583 1.902 1.00 5.74 H new ATOM 0 HD2 PHE A 185 5.308 -4.745 5.215 1.00 6.14 H new ATOM 0 HE1 PHE A 185 9.290 -2.845 3.041 1.00 5.34 H new ATOM 0 HE2 PHE A 185 6.617 -3.011 6.359 1.00 5.81 H new ATOM 0 HZ PHE A 185 8.609 -2.056 5.273 1.00 5.34 H new ATOM 2908 N ALA A 186 6.397 -4.613 -0.209 1.00 5.78 N ATOM 2909 CA ALA A 186 7.163 -4.763 -1.442 1.00 6.30 C ATOM 2910 C ALA A 186 8.288 -5.779 -1.271 1.00 6.85 C ATOM 2911 O ALA A 186 9.183 -5.595 -0.447 1.00 6.41 O ATOM 2912 CB ALA A 186 7.732 -3.423 -1.881 1.00 5.74 C ATOM 0 H ALA A 186 6.446 -3.684 0.209 1.00 5.78 H new ATOM 0 HA ALA A 186 6.486 -5.130 -2.213 1.00 6.30 H new ATOM 0 HB1 ALA A 186 8.300 -3.553 -2.802 1.00 5.74 H new ATOM 0 HB2 ALA A 186 6.917 -2.721 -2.054 1.00 5.74 H new ATOM 0 HB3 ALA A 186 8.388 -3.033 -1.102 1.00 5.74 H new ATOM 2918 N ASP A 187 8.233 -6.851 -2.056 1.00 7.87 N ATOM 2919 CA ASP A 187 9.249 -7.897 -1.994 1.00 8.52 C ATOM 2920 C ASP A 187 10.312 -7.685 -3.068 1.00 8.61 C ATOM 2921 O ASP A 187 11.352 -7.070 -2.757 1.00 8.64 O ATOM 2922 CB ASP A 187 8.607 -9.276 -2.160 1.00 9.14 C ATOM 2923 CG ASP A 187 7.593 -9.578 -1.072 1.00 9.76 C ATOM 2924 OD1 ASP A 187 8.011 -9.997 0.030 1.00 10.02 O ATOM 2925 OD2 ASP A 187 6.384 -9.397 -1.319 1.00 10.14 O ATOM 2926 OXT ASP A 187 10.094 -8.138 -4.213 1.00 8.89 O ATOM 0 H ASP A 187 7.497 -7.018 -2.742 1.00 7.87 H new ATOM 0 HA ASP A 187 9.728 -7.845 -1.016 1.00 8.52 H new ATOM 0 HB2 ASP A 187 8.119 -9.332 -3.133 1.00 9.14 H new ATOM 0 HB3 ASP A 187 9.385 -10.039 -2.150 1.00 9.14 H new TER 2931 ASP A 187