USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1287 hydrogens (33 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 124 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 141 LYS NZ :NH3+ -163:sc= 1.25 (180deg=0.766) USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 115 THR OG1 : rot 180:sc= -0.612 USER MOD Set 3.1: A 86 THR OG1 : rot -3:sc= 1.21 USER MOD Set 3.2: A 88 HIS : no HD1:sc= -1.94! C(o=-0.73!,f=-7.4!) USER MOD Set 4.1: A 43 LYS NZ :NH3+ 170:sc= 1.37 (180deg=-0.247) USER MOD Set 4.2: A 58 MET CE :methyl 149:sc= 0 (180deg=0) USER MOD Set 4.3: A 60 ASN : amide:sc= -2.82! C(o=1!,f=-6.1!) USER MOD Set 4.4: A 67 THR OG1 : rot -170:sc= -1.44! USER MOD Set 4.5: A 118 TYR OH : rot -171:sc= 1.22 USER MOD Set 4.6: A 140 TYR OH : rot -175:sc= 1.36 USER MOD Set 4.7: A1001 OLA O2 : rot 31:sc= 1.33 USER MOD Set 5.1: A 65 LYS NZ :NH3+ -152:sc= 0.783 (180deg=0) USER MOD Set 5.2: A 85 SER OG : rot 180:sc= 0.696 USER MOD Set 6.1: A 22 TYR OH : rot 151:sc= -0.11 USER MOD Set 6.2: A 129 MET CE :methyl -128:sc= -0.789 (180deg=-4.9!) USER MOD Single : A 0 SER OG : rot 94:sc= -1.89! USER MOD Single : A 1 LYS NZ :NH3+ 147:sc= 1.57 (180deg=1.26) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00394 USER MOD Single : A 6 LYS NZ :NH3+ -115:sc= -0.0384 (180deg=-0.228) USER MOD Single : A -2 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.025) USER MOD Single : A -3 HIS : no HD1:sc= -0.0696 X(o=-0.07,f=-0.026) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -5 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=-0.00072) USER MOD Single : A -7 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.17) USER MOD Single : A -8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.84 K(o=0.84,f=-2.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 0:sc= -1.19 USER MOD Single : A 32 MET CE :methyl 180:sc= -2.73! (180deg=-2.73!) USER MOD Single : A 34 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 37 LYS NZ :NH3+ -149:sc= 1.02 (180deg=-0.739!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 1.06 (180deg=0.942) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0212) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.216 USER MOD Single : A 62 THR OG1 : rot -100:sc= 0.733 USER MOD Single : A 63 THR OG1 : rot 160:sc= -2.01! USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0524) USER MOD Single : A 68 HIS : no HD1:sc= 0.237 K(o=0.24,f=-4.4!) USER MOD Single : A 69 HIS : +bothHN:sc= -1.34! C(o=-1.3!,f=-8.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 87 GLN :FLIP amide:sc= -1.2 F(o=-2.9!,f=-1.2) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 95 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.135) USER MOD Single : A 98 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.6!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A -11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -11 MET N :NH3+ -174:sc= 0 (180deg=-0.0153) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -1.66! C(o=-1.7!,f=-7.2!) USER MOD Single : A 106 LYS NZ :NH3+ 152:sc= 1.24 (180deg=1.07) USER MOD Single : A 111 THR OG1 : rot -25:sc= 1.19 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 MET CE :methyl -150:sc= -4.85! (180deg=-8.68!) USER MOD Single : A 128 LYS NZ :NH3+ 134:sc= -0.0613 (180deg=-0.456) USER MOD Single : A 130 SER OG : rot 36:sc= 0.00158 USER MOD Single : A 132 LYS NZ :NH3+ -104:sc= -0.0825 (180deg=-0.426) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 70:sc= 1.18 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 170:sc=-0.00159 (180deg=-0.105) USER MOD Single : A 143 GLN :FLIP amide:sc= -2.4! C(o=-5.1!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 -0.013 -40.536 -11.497 1.00 13.25 N ATOM 2 CA MET A -11 -1.005 -40.563 -12.598 1.00 13.08 C ATOM 3 C MET A -11 -2.394 -40.218 -12.081 1.00 12.76 C ATOM 4 O MET A -11 -3.092 -39.385 -12.658 1.00 12.82 O ATOM 5 CB MET A -11 -1.029 -41.938 -13.272 1.00 13.51 C ATOM 6 CG MET A -11 0.210 -42.233 -14.103 1.00 13.65 C ATOM 7 SD MET A -11 0.383 -41.115 -15.507 1.00 14.00 S ATOM 8 CE MET A -11 1.887 -41.744 -16.249 1.00 14.47 C ATOM 0 H1 MET A -11 0.942 -40.673 -11.886 1.00 13.25 H new ATOM 0 H2 MET A -11 -0.060 -39.618 -11.010 1.00 13.25 H new ATOM 0 H3 MET A -11 -0.224 -41.297 -10.821 1.00 13.25 H new ATOM 0 HA MET A -11 -0.708 -39.815 -13.334 1.00 13.08 H new ATOM 0 HB2 MET A -11 -1.133 -42.706 -12.506 1.00 13.51 H new ATOM 0 HB3 MET A -11 -1.909 -42.004 -13.912 1.00 13.51 H new ATOM 0 HG2 MET A -11 1.094 -42.156 -13.470 1.00 13.65 H new ATOM 0 HG3 MET A -11 0.165 -43.260 -14.464 1.00 13.65 H new ATOM 0 HE1 MET A -11 2.130 -41.155 -17.134 1.00 14.47 H new ATOM 0 HE2 MET A -11 2.704 -41.674 -15.531 1.00 14.47 H new ATOM 0 HE3 MET A -11 1.744 -42.786 -16.535 1.00 14.47 H new ATOM 20 N ARG A -10 -2.793 -40.859 -10.991 1.00 12.64 N ATOM 21 CA ARG A -10 -4.106 -40.622 -10.410 1.00 12.57 C ATOM 22 C ARG A -10 -4.135 -39.265 -9.714 1.00 12.08 C ATOM 23 O ARG A -10 -3.224 -38.925 -8.960 1.00 12.07 O ATOM 24 CB ARG A -10 -4.460 -41.749 -9.436 1.00 13.16 C ATOM 25 CG ARG A -10 -4.424 -43.123 -10.088 1.00 13.66 C ATOM 26 CD ARG A -10 -4.722 -44.238 -9.098 1.00 14.28 C ATOM 27 NE ARG A -10 -4.522 -45.557 -9.703 1.00 14.70 N ATOM 28 CZ ARG A -10 -5.134 -46.670 -9.298 1.00 15.36 C ATOM 29 NH1 ARG A -10 -6.000 -46.630 -8.295 1.00 15.68 N ATOM 30 NH2 ARG A -10 -4.878 -47.824 -9.901 1.00 15.82 N ATOM 0 H ARG A -10 -2.227 -41.546 -10.492 1.00 12.64 H new ATOM 0 HA ARG A -10 -4.853 -40.611 -11.204 1.00 12.57 H new ATOM 0 HB2 ARG A -10 -3.763 -41.731 -8.598 1.00 13.16 H new ATOM 0 HB3 ARG A -10 -5.455 -41.571 -9.028 1.00 13.16 H new ATOM 0 HG2 ARG A -10 -5.151 -43.157 -10.900 1.00 13.66 H new ATOM 0 HG3 ARG A -10 -3.442 -43.287 -10.532 1.00 13.66 H new ATOM 0 HD2 ARG A -10 -4.077 -44.134 -8.226 1.00 14.28 H new ATOM 0 HD3 ARG A -10 -5.750 -44.149 -8.746 1.00 14.28 H new ATOM 0 HE ARG A -10 -3.872 -45.629 -10.486 1.00 14.70 H new ATOM 0 HH11 ARG A -10 -6.201 -45.745 -7.829 1.00 15.68 H new ATOM 0 HH12 ARG A -10 -6.466 -47.484 -7.989 1.00 15.68 H new ATOM 0 HH21 ARG A -10 -4.213 -47.859 -10.674 1.00 15.82 H new ATOM 0 HH22 ARG A -10 -5.346 -48.676 -9.592 1.00 15.82 H new ATOM 44 N GLY A -9 -5.171 -38.486 -9.992 1.00 11.88 N ATOM 45 CA GLY A -9 -5.250 -37.138 -9.464 1.00 11.61 C ATOM 46 C GLY A -9 -4.908 -36.111 -10.524 1.00 11.09 C ATOM 47 O GLY A -9 -5.792 -35.403 -11.012 1.00 10.90 O ATOM 0 H GLY A -9 -5.960 -38.764 -10.575 1.00 11.88 H new ATOM 0 HA2 GLY A -9 -6.255 -36.952 -9.085 1.00 11.61 H new ATOM 0 HA3 GLY A -9 -4.567 -37.035 -8.621 1.00 11.61 H new ATOM 51 N SER A -8 -3.620 -36.036 -10.870 1.00 11.06 N ATOM 52 CA SER A -8 -3.126 -35.217 -11.984 1.00 10.81 C ATOM 53 C SER A -8 -3.172 -33.709 -11.696 1.00 10.32 C ATOM 54 O SER A -8 -2.166 -33.017 -11.862 1.00 10.27 O ATOM 55 CB SER A -8 -3.904 -35.535 -13.269 1.00 11.27 C ATOM 56 OG SER A -8 -3.444 -34.756 -14.362 1.00 11.68 O ATOM 0 H SER A -8 -2.884 -36.546 -10.382 1.00 11.06 H new ATOM 0 HA SER A -8 -2.076 -35.478 -12.116 1.00 10.81 H new ATOM 0 HB2 SER A -8 -3.800 -36.594 -13.506 1.00 11.27 H new ATOM 0 HB3 SER A -8 -4.966 -35.347 -13.109 1.00 11.27 H new ATOM 0 HG SER A -8 -3.958 -34.983 -15.165 1.00 11.68 H new ATOM 62 N HIS A -7 -4.328 -33.211 -11.271 1.00 10.19 N ATOM 63 CA HIS A -7 -4.542 -31.777 -11.098 1.00 9.96 C ATOM 64 C HIS A -7 -3.557 -31.186 -10.091 1.00 9.39 C ATOM 65 O HIS A -7 -2.881 -30.203 -10.391 1.00 9.36 O ATOM 66 CB HIS A -7 -5.982 -31.517 -10.646 1.00 10.47 C ATOM 67 CG HIS A -7 -6.413 -30.087 -10.769 1.00 10.82 C ATOM 68 ND1 HIS A -7 -7.032 -29.396 -9.749 1.00 11.40 N ATOM 69 CD2 HIS A -7 -6.343 -29.229 -11.814 1.00 10.91 C ATOM 70 CE1 HIS A -7 -7.324 -28.176 -10.163 1.00 11.79 C ATOM 71 NE2 HIS A -7 -6.916 -28.051 -11.409 1.00 11.52 N ATOM 0 H HIS A -7 -5.139 -33.785 -11.038 1.00 10.19 H new ATOM 0 HA HIS A -7 -4.371 -31.289 -12.057 1.00 9.96 H new ATOM 0 HB2 HIS A -7 -6.655 -32.140 -11.236 1.00 10.47 H new ATOM 0 HB3 HIS A -7 -6.087 -31.829 -9.607 1.00 10.47 H new ATOM 0 HD2 HIS A -7 -5.916 -29.434 -12.785 1.00 10.91 H new ATOM 0 HE1 HIS A -7 -7.814 -27.411 -9.579 1.00 11.79 H new ATOM 0 HE2 HIS A -7 -7.011 -27.212 -11.981 1.00 11.52 H new ATOM 80 N HIS A -6 -3.478 -31.801 -8.911 1.00 9.18 N ATOM 81 CA HIS A -6 -2.558 -31.365 -7.856 1.00 8.88 C ATOM 82 C HIS A -6 -2.714 -29.879 -7.560 1.00 8.15 C ATOM 83 O HIS A -6 -1.823 -29.082 -7.846 1.00 8.11 O ATOM 84 CB HIS A -6 -1.103 -31.657 -8.232 1.00 9.21 C ATOM 85 CG HIS A -6 -0.772 -33.111 -8.313 1.00 9.81 C ATOM 86 ND1 HIS A -6 -0.339 -33.722 -9.469 1.00 10.31 N ATOM 87 CD2 HIS A -6 -0.791 -34.077 -7.365 1.00 10.25 C ATOM 88 CE1 HIS A -6 -0.108 -34.997 -9.229 1.00 10.98 C ATOM 89 NE2 HIS A -6 -0.374 -35.238 -7.962 1.00 10.96 N ATOM 0 H HIS A -6 -4.045 -32.610 -8.659 1.00 9.18 H new ATOM 0 HA HIS A -6 -2.814 -31.931 -6.961 1.00 8.88 H new ATOM 0 HB2 HIS A -6 -0.888 -31.193 -9.194 1.00 9.21 H new ATOM 0 HB3 HIS A -6 -0.448 -31.187 -7.498 1.00 9.21 H new ATOM 0 HD2 HIS A -6 -1.081 -33.956 -6.332 1.00 10.25 H new ATOM 0 HE1 HIS A -6 0.241 -35.722 -9.950 1.00 10.98 H new ATOM 0 HE2 HIS A -6 -0.284 -36.143 -7.500 1.00 10.96 H new ATOM 98 N HIS A -5 -3.846 -29.506 -6.996 1.00 7.83 N ATOM 99 CA HIS A -5 -4.088 -28.118 -6.646 1.00 7.37 C ATOM 100 C HIS A -5 -4.893 -28.039 -5.359 1.00 7.17 C ATOM 101 O HIS A -5 -6.064 -27.660 -5.361 1.00 7.21 O ATOM 102 CB HIS A -5 -4.807 -27.401 -7.786 1.00 7.73 C ATOM 103 CG HIS A -5 -4.893 -25.913 -7.616 1.00 8.16 C ATOM 104 ND1 HIS A -5 -6.081 -25.241 -7.431 1.00 8.81 N ATOM 105 CD2 HIS A -5 -3.929 -24.965 -7.637 1.00 8.33 C ATOM 106 CE1 HIS A -5 -5.843 -23.946 -7.348 1.00 9.31 C ATOM 107 NE2 HIS A -5 -4.545 -23.752 -7.469 1.00 9.05 N ATOM 0 H HIS A -5 -4.611 -30.142 -6.770 1.00 7.83 H new ATOM 0 HA HIS A -5 -3.132 -27.620 -6.484 1.00 7.37 H new ATOM 0 HB2 HIS A -5 -4.291 -27.620 -8.721 1.00 7.73 H new ATOM 0 HB3 HIS A -5 -5.816 -27.805 -7.876 1.00 7.73 H new ATOM 0 HD2 HIS A -5 -2.870 -25.133 -7.763 1.00 8.33 H new ATOM 0 HE1 HIS A -5 -6.586 -23.175 -7.205 1.00 9.31 H new ATOM 0 HE2 HIS A -5 -4.075 -22.847 -7.442 1.00 9.05 H new ATOM 116 N HIS A -4 -4.265 -28.430 -4.260 1.00 7.32 N ATOM 117 CA HIS A -4 -4.927 -28.411 -2.965 1.00 7.52 C ATOM 118 C HIS A -4 -4.085 -27.657 -1.938 1.00 6.89 C ATOM 119 O HIS A -4 -4.573 -27.290 -0.872 1.00 6.96 O ATOM 120 CB HIS A -4 -5.199 -29.842 -2.494 1.00 8.42 C ATOM 121 CG HIS A -4 -6.207 -29.935 -1.389 1.00 9.12 C ATOM 122 ND1 HIS A -4 -7.557 -30.080 -1.621 1.00 9.86 N ATOM 123 CD2 HIS A -4 -6.060 -29.910 -0.042 1.00 9.44 C ATOM 124 CE1 HIS A -4 -8.195 -30.143 -0.468 1.00 10.54 C ATOM 125 NE2 HIS A -4 -7.311 -30.043 0.503 1.00 10.32 N ATOM 0 H HIS A -4 -3.301 -28.763 -4.239 1.00 7.32 H new ATOM 0 HA HIS A -4 -5.879 -27.890 -3.068 1.00 7.52 H new ATOM 0 HB2 HIS A -4 -5.547 -30.433 -3.341 1.00 8.42 H new ATOM 0 HB3 HIS A -4 -4.263 -30.288 -2.157 1.00 8.42 H new ATOM 0 HD2 HIS A -4 -5.132 -29.805 0.500 1.00 9.44 H new ATOM 0 HE1 HIS A -4 -9.262 -30.257 -0.342 1.00 10.54 H new ATOM 0 HE2 HIS A -4 -7.523 -30.062 1.501 1.00 10.32 H new ATOM 134 N HIS A -3 -2.820 -27.426 -2.265 1.00 6.56 N ATOM 135 CA HIS A -3 -1.932 -26.670 -1.387 1.00 6.26 C ATOM 136 C HIS A -3 -0.972 -25.818 -2.205 1.00 5.53 C ATOM 137 O HIS A -3 0.176 -25.600 -1.818 1.00 5.80 O ATOM 138 CB HIS A -3 -1.158 -27.600 -0.435 1.00 7.01 C ATOM 139 CG HIS A -3 -0.391 -28.702 -1.107 1.00 7.57 C ATOM 140 ND1 HIS A -3 -0.717 -30.031 -0.964 1.00 8.09 N ATOM 141 CD2 HIS A -3 0.701 -28.673 -1.911 1.00 8.00 C ATOM 142 CE1 HIS A -3 0.137 -30.771 -1.644 1.00 8.73 C ATOM 143 NE2 HIS A -3 1.008 -29.973 -2.228 1.00 8.69 N ATOM 0 H HIS A -3 -2.385 -27.750 -3.129 1.00 6.56 H new ATOM 0 HA HIS A -3 -2.548 -26.010 -0.776 1.00 6.26 H new ATOM 0 HB2 HIS A -3 -0.462 -26.998 0.150 1.00 7.01 H new ATOM 0 HB3 HIS A -3 -1.863 -28.045 0.267 1.00 7.01 H new ATOM 0 HD2 HIS A -3 1.230 -27.791 -2.241 1.00 8.00 H new ATOM 0 HE1 HIS A -3 0.125 -31.849 -1.711 1.00 8.73 H new ATOM 0 HE2 HIS A -3 1.784 -30.272 -2.819 1.00 8.69 H new ATOM 152 N HIS A -2 -1.451 -25.341 -3.342 1.00 4.92 N ATOM 153 CA HIS A -2 -0.645 -24.502 -4.214 1.00 4.50 C ATOM 154 C HIS A -2 -1.529 -23.452 -4.872 1.00 3.71 C ATOM 155 O HIS A -2 -1.778 -23.488 -6.075 1.00 3.80 O ATOM 156 CB HIS A -2 0.072 -25.351 -5.273 1.00 4.97 C ATOM 157 CG HIS A -2 1.042 -24.576 -6.122 1.00 5.64 C ATOM 158 ND1 HIS A -2 2.339 -24.316 -5.736 1.00 6.23 N ATOM 159 CD2 HIS A -2 0.895 -24.012 -7.344 1.00 6.23 C ATOM 160 CE1 HIS A -2 2.946 -23.624 -6.684 1.00 7.04 C ATOM 161 NE2 HIS A -2 2.092 -23.428 -7.668 1.00 7.06 N ATOM 0 H HIS A -2 -2.395 -25.521 -3.683 1.00 4.92 H new ATOM 0 HA HIS A -2 0.117 -24.000 -3.618 1.00 4.50 H new ATOM 0 HB2 HIS A -2 0.606 -26.160 -4.775 1.00 4.97 H new ATOM 0 HB3 HIS A -2 -0.674 -25.813 -5.920 1.00 4.97 H new ATOM 0 HD2 HIS A -2 0.001 -24.021 -7.950 1.00 6.23 H new ATOM 0 HE1 HIS A -2 3.969 -23.278 -6.657 1.00 7.04 H new ATOM 0 HE2 HIS A -2 2.290 -22.923 -8.532 1.00 7.06 H new ATOM 170 N GLY A -1 -2.023 -22.534 -4.068 1.00 3.50 N ATOM 171 CA GLY A -1 -2.849 -21.474 -4.589 1.00 3.30 C ATOM 172 C GLY A -1 -2.138 -20.146 -4.531 1.00 2.92 C ATOM 173 O GLY A -1 -1.524 -19.715 -5.507 1.00 3.15 O ATOM 0 H GLY A -1 -1.867 -22.503 -3.060 1.00 3.50 H new ATOM 0 HA2 GLY A -1 -3.123 -21.697 -5.620 1.00 3.30 H new ATOM 0 HA3 GLY A -1 -3.776 -21.418 -4.018 1.00 3.30 H new ATOM 177 N SER A 0 -2.188 -19.519 -3.376 1.00 2.55 N ATOM 178 CA SER A 0 -1.571 -18.226 -3.188 1.00 2.25 C ATOM 179 C SER A 0 -0.247 -18.376 -2.464 1.00 1.76 C ATOM 180 O SER A 0 -0.083 -19.270 -1.630 1.00 1.80 O ATOM 181 CB SER A 0 -2.498 -17.340 -2.366 1.00 2.52 C ATOM 182 OG SER A 0 -3.842 -17.520 -2.768 1.00 3.11 O ATOM 0 H SER A 0 -2.654 -19.888 -2.547 1.00 2.55 H new ATOM 0 HA SER A 0 -1.392 -17.773 -4.163 1.00 2.25 H new ATOM 0 HB2 SER A 0 -2.394 -17.578 -1.307 1.00 2.52 H new ATOM 0 HB3 SER A 0 -2.213 -16.295 -2.487 1.00 2.52 H new ATOM 0 HG SER A 0 -4.265 -18.197 -2.200 1.00 3.11 H new ATOM 188 N LYS A 1 0.703 -17.523 -2.805 1.00 1.47 N ATOM 189 CA LYS A 1 1.932 -17.425 -2.041 1.00 1.17 C ATOM 190 C LYS A 1 1.562 -16.951 -0.644 1.00 1.02 C ATOM 191 O LYS A 1 0.769 -16.026 -0.498 1.00 1.17 O ATOM 192 CB LYS A 1 2.894 -16.431 -2.698 1.00 1.31 C ATOM 193 CG LYS A 1 3.151 -16.701 -4.174 1.00 1.65 C ATOM 194 CD LYS A 1 3.958 -15.582 -4.816 1.00 2.03 C ATOM 195 CE LYS A 1 4.242 -15.869 -6.282 1.00 2.38 C ATOM 196 NZ LYS A 1 4.989 -14.762 -6.940 1.00 2.99 N ATOM 0 H LYS A 1 0.647 -16.891 -3.603 1.00 1.47 H new ATOM 0 HA LYS A 1 2.433 -18.392 -2.001 1.00 1.17 H new ATOM 0 HB2 LYS A 1 2.491 -15.424 -2.588 1.00 1.31 H new ATOM 0 HB3 LYS A 1 3.844 -16.454 -2.164 1.00 1.31 H new ATOM 0 HG2 LYS A 1 3.685 -17.645 -4.284 1.00 1.65 H new ATOM 0 HG3 LYS A 1 2.200 -16.810 -4.695 1.00 1.65 H new ATOM 0 HD2 LYS A 1 3.413 -14.642 -4.727 1.00 2.03 H new ATOM 0 HD3 LYS A 1 4.899 -15.457 -4.280 1.00 2.03 H new ATOM 0 HE2 LYS A 1 4.817 -16.792 -6.365 1.00 2.38 H new ATOM 0 HE3 LYS A 1 3.301 -16.032 -6.807 1.00 2.38 H new ATOM 0 HZ1 LYS A 1 5.622 -15.154 -7.666 1.00 2.99 H new ATOM 0 HZ2 LYS A 1 4.316 -14.105 -7.385 1.00 2.99 H new ATOM 0 HZ3 LYS A 1 5.552 -14.252 -6.229 1.00 2.99 H new ATOM 210 N THR A 2 2.088 -17.586 0.380 1.00 0.86 N ATOM 211 CA THR A 2 1.695 -17.232 1.729 1.00 0.81 C ATOM 212 C THR A 2 2.390 -15.948 2.158 1.00 0.66 C ATOM 213 O THR A 2 3.616 -15.855 2.119 1.00 0.64 O ATOM 214 CB THR A 2 2.023 -18.345 2.726 1.00 0.86 C ATOM 215 OG1 THR A 2 1.925 -19.623 2.081 1.00 0.99 O ATOM 216 CG2 THR A 2 1.067 -18.301 3.906 1.00 0.92 C ATOM 0 H THR A 2 2.776 -18.336 0.310 1.00 0.86 H new ATOM 0 HA THR A 2 0.615 -17.085 1.726 1.00 0.81 H new ATOM 0 HB THR A 2 3.040 -18.195 3.088 1.00 0.86 H new ATOM 0 HG1 THR A 2 2.138 -20.331 2.724 1.00 0.99 H new ATOM 0 HG21 THR A 2 1.315 -19.100 4.605 1.00 0.92 H new ATOM 0 HG22 THR A 2 1.154 -17.338 4.409 1.00 0.92 H new ATOM 0 HG23 THR A 2 0.045 -18.434 3.551 1.00 0.92 H new ATOM 224 N LEU A 3 1.594 -14.958 2.534 1.00 0.59 N ATOM 225 CA LEU A 3 2.119 -13.664 2.959 1.00 0.50 C ATOM 226 C LEU A 3 3.083 -13.827 4.126 1.00 0.49 C ATOM 227 O LEU A 3 2.723 -14.394 5.162 1.00 0.53 O ATOM 228 CB LEU A 3 0.992 -12.719 3.376 1.00 0.49 C ATOM 229 CG LEU A 3 0.837 -11.440 2.544 1.00 0.35 C ATOM 230 CD1 LEU A 3 -0.025 -10.443 3.284 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.183 -10.811 2.228 1.00 0.49 C ATOM 0 H LEU A 3 0.576 -15.025 2.554 1.00 0.59 H new ATOM 0 HA LEU A 3 2.647 -13.236 2.107 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.052 -13.269 3.337 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.151 -12.434 4.416 1.00 0.49 H new ATOM 0 HG LEU A 3 0.361 -11.714 1.603 1.00 0.35 H new ATOM 0 HD11 LEU A 3 -0.130 -9.538 2.686 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -1.009 -10.875 3.463 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.442 -10.196 4.238 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.033 -9.907 1.637 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.693 -10.557 3.157 1.00 0.49 H new ATOM 0 HD23 LEU A 3 2.791 -11.517 1.662 1.00 0.49 H new ATOM 243 N PRO A 4 4.325 -13.359 3.956 1.00 0.50 N ATOM 244 CA PRO A 4 5.309 -13.313 5.037 1.00 0.54 C ATOM 245 C PRO A 4 4.777 -12.530 6.226 1.00 0.47 C ATOM 246 O PRO A 4 4.327 -11.391 6.075 1.00 0.42 O ATOM 247 CB PRO A 4 6.502 -12.585 4.409 1.00 0.60 C ATOM 248 CG PRO A 4 6.348 -12.782 2.942 1.00 0.61 C ATOM 249 CD PRO A 4 4.869 -12.845 2.687 1.00 0.52 C ATOM 0 HA PRO A 4 5.561 -14.303 5.416 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.498 -11.526 4.667 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.447 -12.996 4.765 1.00 0.60 H new ATOM 0 HG2 PRO A 4 6.805 -11.962 2.388 1.00 0.61 H new ATOM 0 HG3 PRO A 4 6.840 -13.699 2.618 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.461 -11.864 2.443 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.633 -13.505 1.852 1.00 0.52 H new ATOM 257 N ASP A 5 4.823 -13.147 7.403 1.00 0.51 N ATOM 258 CA ASP A 5 4.282 -12.547 8.625 1.00 0.51 C ATOM 259 C ASP A 5 4.894 -11.180 8.916 1.00 0.45 C ATOM 260 O ASP A 5 4.286 -10.361 9.603 1.00 0.44 O ATOM 261 CB ASP A 5 4.494 -13.474 9.826 1.00 0.63 C ATOM 262 CG ASP A 5 5.956 -13.757 10.103 1.00 1.50 C ATOM 263 OD1 ASP A 5 6.553 -13.049 10.942 1.00 2.09 O ATOM 264 OD2 ASP A 5 6.517 -14.684 9.487 1.00 2.19 O ATOM 0 H ASP A 5 5.233 -14.071 7.540 1.00 0.51 H new ATOM 0 HA ASP A 5 3.214 -12.407 8.460 1.00 0.51 H new ATOM 0 HB2 ASP A 5 4.043 -13.023 10.710 1.00 0.63 H new ATOM 0 HB3 ASP A 5 3.975 -14.416 9.648 1.00 0.63 H new ATOM 269 N LYS A 6 6.091 -10.932 8.399 1.00 0.45 N ATOM 270 CA LYS A 6 6.738 -9.636 8.565 1.00 0.45 C ATOM 271 C LYS A 6 6.013 -8.521 7.804 1.00 0.38 C ATOM 272 O LYS A 6 6.301 -7.346 8.008 1.00 0.42 O ATOM 273 CB LYS A 6 8.210 -9.703 8.139 1.00 0.56 C ATOM 274 CG LYS A 6 8.452 -10.435 6.829 1.00 1.10 C ATOM 275 CD LYS A 6 9.917 -10.378 6.428 1.00 1.64 C ATOM 276 CE LYS A 6 10.248 -11.380 5.333 1.00 2.01 C ATOM 277 NZ LYS A 6 10.166 -12.785 5.818 1.00 2.53 N ATOM 0 H LYS A 6 6.633 -11.609 7.862 1.00 0.45 H new ATOM 0 HA LYS A 6 6.687 -9.391 9.626 1.00 0.45 H new ATOM 0 HB2 LYS A 6 8.597 -8.688 8.051 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.782 -10.194 8.927 1.00 0.56 H new ATOM 0 HG2 LYS A 6 8.140 -11.475 6.928 1.00 1.10 H new ATOM 0 HG3 LYS A 6 7.840 -9.992 6.044 1.00 1.10 H new ATOM 0 HD2 LYS A 6 10.160 -9.372 6.085 1.00 1.64 H new ATOM 0 HD3 LYS A 6 10.540 -10.576 7.301 1.00 1.64 H new ATOM 0 HE2 LYS A 6 9.561 -11.244 4.498 1.00 2.01 H new ATOM 0 HE3 LYS A 6 11.252 -11.185 4.955 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 11.111 -13.219 5.786 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 9.813 -12.795 6.796 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 9.517 -13.325 5.211 1.00 2.53 H new ATOM 291 N PHE A 7 5.073 -8.872 6.929 1.00 0.36 N ATOM 292 CA PHE A 7 4.278 -7.863 6.240 1.00 0.35 C ATOM 293 C PHE A 7 2.964 -7.634 6.967 1.00 0.32 C ATOM 294 O PHE A 7 2.203 -6.737 6.616 1.00 0.35 O ATOM 295 CB PHE A 7 3.985 -8.278 4.793 1.00 0.39 C ATOM 296 CG PHE A 7 5.133 -8.075 3.848 1.00 0.42 C ATOM 297 CD1 PHE A 7 5.735 -6.833 3.719 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.613 -9.130 3.091 1.00 0.48 C ATOM 299 CE1 PHE A 7 6.794 -6.650 2.852 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.671 -8.951 2.224 1.00 0.54 C ATOM 301 CZ PHE A 7 7.249 -7.686 2.094 1.00 0.57 C ATOM 0 H PHE A 7 4.846 -9.836 6.684 1.00 0.36 H new ATOM 0 HA PHE A 7 4.858 -6.940 6.231 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.700 -9.330 4.780 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.127 -7.711 4.431 1.00 0.39 H new ATOM 0 HD1 PHE A 7 5.372 -6.000 4.303 1.00 0.52 H new ATOM 0 HD2 PHE A 7 5.154 -10.104 3.180 1.00 0.48 H new ATOM 0 HE1 PHE A 7 7.264 -5.681 2.775 1.00 0.60 H new ATOM 0 HE2 PHE A 7 7.050 -9.783 1.650 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.056 -7.530 1.393 1.00 0.57 H new ATOM 311 N LEU A 8 2.710 -8.429 7.997 1.00 0.30 N ATOM 312 CA LEU A 8 1.415 -8.429 8.652 1.00 0.29 C ATOM 313 C LEU A 8 1.434 -7.555 9.904 1.00 0.29 C ATOM 314 O LEU A 8 2.449 -7.464 10.606 1.00 0.33 O ATOM 315 CB LEU A 8 1.005 -9.865 8.987 1.00 0.34 C ATOM 316 CG LEU A 8 0.953 -10.810 7.779 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.640 -12.233 8.202 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.073 -10.326 6.771 1.00 0.35 C ATOM 0 H LEU A 8 3.385 -9.081 8.395 1.00 0.30 H new ATOM 0 HA LEU A 8 0.677 -8.005 7.971 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.706 -10.268 9.718 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.024 -9.848 9.462 1.00 0.34 H new ATOM 0 HG LEU A 8 1.938 -10.806 7.313 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.611 -12.876 7.322 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.412 -12.588 8.885 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.328 -12.259 8.703 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.097 -11.007 5.921 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -1.057 -10.295 7.239 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.197 -9.327 6.428 1.00 0.35 H new ATOM 330 N GLY A 9 0.305 -6.915 10.163 1.00 0.32 N ATOM 331 CA GLY A 9 0.186 -5.998 11.278 1.00 0.33 C ATOM 332 C GLY A 9 -0.492 -4.707 10.868 1.00 0.31 C ATOM 333 O GLY A 9 -0.758 -4.490 9.684 1.00 0.52 O ATOM 0 H GLY A 9 -0.546 -7.017 9.610 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.383 -6.470 12.079 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.176 -5.779 11.677 1.00 0.33 H new ATOM 337 N THR A 10 -0.786 -3.855 11.837 1.00 0.34 N ATOM 338 CA THR A 10 -1.357 -2.552 11.557 1.00 0.35 C ATOM 339 C THR A 10 -0.272 -1.481 11.672 1.00 0.32 C ATOM 340 O THR A 10 0.381 -1.360 12.707 1.00 0.40 O ATOM 341 CB THR A 10 -2.510 -2.244 12.529 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.397 -3.370 12.596 1.00 1.05 O ATOM 343 CG2 THR A 10 -3.285 -1.020 12.079 1.00 0.99 C ATOM 0 H THR A 10 -0.637 -4.046 12.828 1.00 0.34 H new ATOM 0 HA THR A 10 -1.756 -2.554 10.543 1.00 0.35 H new ATOM 0 HB THR A 10 -2.086 -2.045 13.513 1.00 0.38 H new ATOM 0 HG1 THR A 10 -4.129 -3.173 13.217 1.00 1.05 H new ATOM 0 HG21 THR A 10 -4.094 -0.823 12.782 1.00 0.99 H new ATOM 0 HG22 THR A 10 -2.617 -0.159 12.044 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.701 -1.197 11.087 1.00 0.99 H new ATOM 351 N PHE A 11 -0.069 -0.728 10.603 1.00 0.27 N ATOM 352 CA PHE A 11 1.036 0.221 10.526 1.00 0.27 C ATOM 353 C PHE A 11 0.550 1.667 10.403 1.00 0.28 C ATOM 354 O PHE A 11 -0.362 1.952 9.625 1.00 0.32 O ATOM 355 CB PHE A 11 1.910 -0.105 9.304 1.00 0.31 C ATOM 356 CG PHE A 11 2.439 -1.513 9.265 1.00 0.33 C ATOM 357 CD1 PHE A 11 3.565 -1.866 9.992 1.00 0.42 C ATOM 358 CD2 PHE A 11 1.818 -2.478 8.489 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.061 -3.156 9.945 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.307 -3.770 8.440 1.00 0.43 C ATOM 361 CZ PHE A 11 3.429 -4.109 9.168 1.00 0.44 C ATOM 0 H PHE A 11 -0.658 -0.754 9.770 1.00 0.27 H new ATOM 0 HA PHE A 11 1.606 0.129 11.451 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.328 0.075 8.400 1.00 0.31 H new ATOM 0 HB3 PHE A 11 2.753 0.586 9.283 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.061 -1.125 10.602 1.00 0.42 H new ATOM 0 HD2 PHE A 11 0.941 -2.218 7.915 1.00 0.38 H new ATOM 0 HE1 PHE A 11 4.940 -3.419 10.514 1.00 0.47 H new ATOM 0 HE2 PHE A 11 1.812 -4.513 7.833 1.00 0.43 H new ATOM 0 HZ PHE A 11 3.813 -5.118 9.131 1.00 0.44 H new ATOM 371 N LYS A 12 1.146 2.585 11.178 1.00 0.29 N ATOM 372 CA LYS A 12 0.979 4.015 10.900 1.00 0.33 C ATOM 373 C LYS A 12 2.058 4.482 9.915 1.00 0.27 C ATOM 374 O LYS A 12 2.692 3.665 9.249 1.00 0.69 O ATOM 375 CB LYS A 12 1.035 4.846 12.185 1.00 0.48 C ATOM 376 CG LYS A 12 2.337 4.738 12.949 1.00 0.78 C ATOM 377 CD LYS A 12 2.365 5.698 14.122 1.00 1.28 C ATOM 378 CE LYS A 12 1.317 5.346 15.168 1.00 1.72 C ATOM 379 NZ LYS A 12 1.300 6.321 16.287 1.00 2.19 N ATOM 0 H LYS A 12 1.734 2.369 11.983 1.00 0.29 H new ATOM 0 HA LYS A 12 -0.005 4.163 10.455 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.862 5.892 11.933 1.00 0.48 H new ATOM 0 HB3 LYS A 12 0.219 4.537 12.838 1.00 0.48 H new ATOM 0 HG2 LYS A 12 2.468 3.717 13.308 1.00 0.78 H new ATOM 0 HG3 LYS A 12 3.172 4.951 12.282 1.00 0.78 H new ATOM 0 HD2 LYS A 12 3.354 5.683 14.580 1.00 1.28 H new ATOM 0 HD3 LYS A 12 2.194 6.713 13.764 1.00 1.28 H new ATOM 0 HE2 LYS A 12 0.333 5.314 14.700 1.00 1.72 H new ATOM 0 HE3 LYS A 12 1.516 4.348 15.559 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 0.573 6.045 16.977 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 2.231 6.333 16.751 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 1.085 7.269 15.918 1.00 2.19 H new ATOM 393 N LEU A 13 2.291 5.788 9.853 1.00 0.60 N ATOM 394 CA LEU A 13 3.212 6.361 8.879 1.00 0.50 C ATOM 395 C LEU A 13 4.033 7.440 9.566 1.00 0.46 C ATOM 396 O LEU A 13 3.476 8.339 10.200 1.00 0.52 O ATOM 397 CB LEU A 13 2.432 6.937 7.682 1.00 0.52 C ATOM 398 CG LEU A 13 3.263 7.347 6.453 1.00 0.55 C ATOM 399 CD1 LEU A 13 2.368 7.471 5.234 1.00 1.14 C ATOM 400 CD2 LEU A 13 3.987 8.668 6.682 1.00 1.04 C ATOM 0 H LEU A 13 1.852 6.473 10.469 1.00 0.60 H new ATOM 0 HA LEU A 13 3.880 5.589 8.496 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.698 6.196 7.365 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.877 7.810 8.025 1.00 0.52 H new ATOM 0 HG LEU A 13 4.009 6.570 6.287 1.00 0.55 H new ATOM 0 HD11 LEU A 13 2.967 7.761 4.371 1.00 1.14 H new ATOM 0 HD12 LEU A 13 1.888 6.513 5.036 1.00 1.14 H new ATOM 0 HD13 LEU A 13 1.606 8.228 5.418 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.563 8.926 5.794 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.257 9.453 6.882 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.659 8.572 7.535 1.00 1.04 H new ATOM 412 N GLU A 14 5.353 7.345 9.461 1.00 0.45 N ATOM 413 CA GLU A 14 6.231 8.273 10.157 1.00 0.48 C ATOM 414 C GLU A 14 6.719 9.382 9.229 1.00 0.45 C ATOM 415 O GLU A 14 6.654 10.561 9.578 1.00 0.49 O ATOM 416 CB GLU A 14 7.422 7.528 10.759 1.00 0.55 C ATOM 417 CG GLU A 14 8.297 8.402 11.644 1.00 0.67 C ATOM 418 CD GLU A 14 9.448 7.642 12.265 1.00 1.17 C ATOM 419 OE1 GLU A 14 10.475 7.445 11.584 1.00 2.08 O ATOM 420 OE2 GLU A 14 9.329 7.226 13.431 1.00 1.56 O ATOM 0 H GLU A 14 5.835 6.639 8.904 1.00 0.45 H new ATOM 0 HA GLU A 14 5.657 8.735 10.960 1.00 0.48 H new ATOM 0 HB2 GLU A 14 7.055 6.684 11.343 1.00 0.55 H new ATOM 0 HB3 GLU A 14 8.029 7.117 9.952 1.00 0.55 H new ATOM 0 HG2 GLU A 14 8.691 9.230 11.054 1.00 0.67 H new ATOM 0 HG3 GLU A 14 7.686 8.837 12.435 1.00 0.67 H new ATOM 427 N ARG A 15 7.202 9.012 8.049 1.00 0.42 N ATOM 428 CA ARG A 15 7.753 9.992 7.119 1.00 0.44 C ATOM 429 C ARG A 15 7.729 9.468 5.689 1.00 0.37 C ATOM 430 O ARG A 15 7.200 8.388 5.418 1.00 0.38 O ATOM 431 CB ARG A 15 9.188 10.351 7.512 1.00 0.51 C ATOM 432 CG ARG A 15 10.150 9.181 7.430 1.00 0.53 C ATOM 433 CD ARG A 15 11.557 9.590 7.815 1.00 0.77 C ATOM 434 NE ARG A 15 12.156 10.525 6.862 1.00 1.68 N ATOM 435 CZ ARG A 15 13.455 10.834 6.840 1.00 2.34 C ATOM 436 NH1 ARG A 15 14.287 10.292 7.723 1.00 2.45 N ATOM 437 NH2 ARG A 15 13.923 11.677 5.929 1.00 3.36 N ATOM 0 H ARG A 15 7.224 8.049 7.715 1.00 0.42 H new ATOM 0 HA ARG A 15 7.131 10.885 7.170 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.545 11.150 6.862 1.00 0.51 H new ATOM 0 HB3 ARG A 15 9.190 10.742 8.529 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.809 8.382 8.088 1.00 0.53 H new ATOM 0 HG3 ARG A 15 10.151 8.780 6.416 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.540 10.048 8.804 1.00 0.77 H new ATOM 0 HD3 ARG A 15 12.183 8.700 7.886 1.00 0.77 H new ATOM 0 HE ARG A 15 11.546 10.967 6.174 1.00 1.68 H new ATOM 0 HH11 ARG A 15 13.934 9.637 8.421 1.00 2.45 H new ATOM 0 HH12 ARG A 15 15.278 10.531 7.703 1.00 2.45 H new ATOM 0 HH21 ARG A 15 13.290 12.090 5.244 1.00 3.36 H new ATOM 0 HH22 ARG A 15 14.915 11.912 5.914 1.00 3.36 H new ATOM 451 N ASP A 16 8.329 10.234 4.789 1.00 0.38 N ATOM 452 CA ASP A 16 8.356 9.907 3.368 1.00 0.43 C ATOM 453 C ASP A 16 9.373 10.790 2.663 1.00 0.39 C ATOM 454 O ASP A 16 9.770 11.825 3.199 1.00 0.52 O ATOM 455 CB ASP A 16 6.972 10.083 2.729 1.00 0.66 C ATOM 456 CG ASP A 16 6.464 11.507 2.805 1.00 0.68 C ATOM 457 OD1 ASP A 16 5.817 11.863 3.806 1.00 1.19 O ATOM 458 OD2 ASP A 16 6.725 12.286 1.865 1.00 0.72 O ATOM 0 H ASP A 16 8.812 11.101 5.023 1.00 0.38 H new ATOM 0 HA ASP A 16 8.642 8.861 3.261 1.00 0.43 H new ATOM 0 HB2 ASP A 16 7.018 9.774 1.685 1.00 0.66 H new ATOM 0 HB3 ASP A 16 6.262 9.422 3.226 1.00 0.66 H new ATOM 463 N GLU A 17 9.790 10.385 1.471 1.00 0.36 N ATOM 464 CA GLU A 17 10.832 11.093 0.739 1.00 0.38 C ATOM 465 C GLU A 17 10.510 11.152 -0.753 1.00 0.40 C ATOM 466 O GLU A 17 10.101 10.147 -1.336 1.00 0.83 O ATOM 467 CB GLU A 17 12.178 10.392 0.936 1.00 0.48 C ATOM 468 CG GLU A 17 12.722 10.456 2.357 1.00 1.18 C ATOM 469 CD GLU A 17 13.162 11.847 2.752 1.00 1.83 C ATOM 470 OE1 GLU A 17 14.082 12.394 2.113 1.00 2.66 O ATOM 471 OE2 GLU A 17 12.580 12.405 3.708 1.00 2.13 O ATOM 0 H GLU A 17 9.421 9.566 0.988 1.00 0.36 H new ATOM 0 HA GLU A 17 10.884 12.110 1.127 1.00 0.38 H new ATOM 0 HB2 GLU A 17 12.074 9.346 0.647 1.00 0.48 H new ATOM 0 HB3 GLU A 17 12.908 10.838 0.261 1.00 0.48 H new ATOM 0 HG2 GLU A 17 11.955 10.111 3.051 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.566 9.773 2.449 1.00 1.18 H new ATOM 478 N ASN A 18 10.688 12.335 -1.350 1.00 0.34 N ATOM 479 CA ASN A 18 10.548 12.530 -2.805 1.00 0.30 C ATOM 480 C ASN A 18 9.092 12.355 -3.251 1.00 0.28 C ATOM 481 O ASN A 18 8.800 12.044 -4.412 1.00 0.27 O ATOM 482 CB ASN A 18 11.466 11.555 -3.560 1.00 0.32 C ATOM 483 CG ASN A 18 11.751 11.988 -4.986 1.00 0.42 C ATOM 484 OD1 ASN A 18 11.768 13.175 -5.293 1.00 0.76 O ATOM 485 ND2 ASN A 18 11.988 11.026 -5.865 1.00 0.66 N ATOM 0 H ASN A 18 10.933 13.186 -0.843 1.00 0.34 H new ATOM 0 HA ASN A 18 10.847 13.551 -3.042 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.408 11.461 -3.020 1.00 0.32 H new ATOM 0 HB3 ASN A 18 11.005 10.567 -3.572 1.00 0.32 H new ATOM 0 HD21 ASN A 18 12.194 11.262 -6.836 1.00 0.66 H new ATOM 0 HD22 ASN A 18 11.965 10.050 -5.571 1.00 0.66 H new ATOM 492 N PHE A 19 8.178 12.595 -2.320 1.00 0.30 N ATOM 493 CA PHE A 19 6.765 12.337 -2.558 1.00 0.31 C ATOM 494 C PHE A 19 6.159 13.397 -3.476 1.00 0.31 C ATOM 495 O PHE A 19 5.370 13.073 -4.364 1.00 0.32 O ATOM 496 CB PHE A 19 6.000 12.269 -1.235 1.00 0.37 C ATOM 497 CG PHE A 19 4.660 11.600 -1.352 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.564 10.233 -1.535 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.494 12.346 -1.274 1.00 0.45 C ATOM 500 CE1 PHE A 19 3.330 9.619 -1.638 1.00 0.49 C ATOM 501 CE2 PHE A 19 2.258 11.738 -1.376 1.00 0.48 C ATOM 502 CZ PHE A 19 2.188 10.352 -1.581 1.00 0.44 C ATOM 0 H PHE A 19 8.390 12.967 -1.394 1.00 0.30 H new ATOM 0 HA PHE A 19 6.679 11.372 -3.057 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.603 11.732 -0.503 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.860 13.280 -0.853 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.463 9.638 -1.598 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.553 13.415 -1.132 1.00 0.45 H new ATOM 0 HE1 PHE A 19 3.273 8.548 -1.765 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.354 12.324 -1.299 1.00 0.48 H new ATOM 0 HZ PHE A 19 1.229 9.869 -1.693 1.00 0.44 H new ATOM 512 N ASP A 20 6.523 14.661 -3.263 1.00 0.33 N ATOM 513 CA ASP A 20 6.060 15.751 -4.123 1.00 0.37 C ATOM 514 C ASP A 20 6.373 15.472 -5.580 1.00 0.33 C ATOM 515 O ASP A 20 5.480 15.487 -6.426 1.00 0.33 O ATOM 516 CB ASP A 20 6.699 17.084 -3.732 1.00 0.46 C ATOM 517 CG ASP A 20 6.024 17.743 -2.552 1.00 1.08 C ATOM 518 OD1 ASP A 20 5.037 18.474 -2.757 1.00 1.22 O ATOM 519 OD2 ASP A 20 6.469 17.518 -1.404 1.00 2.04 O ATOM 0 H ASP A 20 7.136 14.956 -2.503 1.00 0.33 H new ATOM 0 HA ASP A 20 4.980 15.816 -3.988 1.00 0.37 H new ATOM 0 HB2 ASP A 20 7.751 16.920 -3.496 1.00 0.46 H new ATOM 0 HB3 ASP A 20 6.665 17.760 -4.586 1.00 0.46 H new ATOM 524 N GLU A 21 7.645 15.221 -5.865 1.00 0.34 N ATOM 525 CA GLU A 21 8.086 14.965 -7.229 1.00 0.35 C ATOM 526 C GLU A 21 7.330 13.791 -7.841 1.00 0.31 C ATOM 527 O GLU A 21 6.989 13.822 -9.024 1.00 0.34 O ATOM 528 CB GLU A 21 9.596 14.735 -7.280 1.00 0.41 C ATOM 529 CG GLU A 21 10.396 15.984 -6.950 1.00 0.51 C ATOM 530 CD GLU A 21 11.878 15.834 -7.223 1.00 1.14 C ATOM 531 OE1 GLU A 21 12.255 15.683 -8.402 1.00 1.65 O ATOM 532 OE2 GLU A 21 12.680 15.901 -6.264 1.00 1.79 O ATOM 0 H GLU A 21 8.389 15.189 -5.168 1.00 0.34 H new ATOM 0 HA GLU A 21 7.861 15.849 -7.825 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.862 13.944 -6.579 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.872 14.385 -8.275 1.00 0.41 H new ATOM 0 HG2 GLU A 21 10.009 16.820 -7.533 1.00 0.51 H new ATOM 0 HG3 GLU A 21 10.250 16.234 -5.899 1.00 0.51 H new ATOM 539 N TYR A 22 7.051 12.765 -7.037 1.00 0.29 N ATOM 540 CA TYR A 22 6.225 11.660 -7.498 1.00 0.28 C ATOM 541 C TYR A 22 4.819 12.143 -7.863 1.00 0.30 C ATOM 542 O TYR A 22 4.264 11.747 -8.890 1.00 0.33 O ATOM 543 CB TYR A 22 6.140 10.562 -6.438 1.00 0.30 C ATOM 544 CG TYR A 22 5.055 9.550 -6.728 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.846 9.596 -6.047 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.227 8.576 -7.702 1.00 0.38 C ATOM 547 CE1 TYR A 22 2.838 8.700 -6.330 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.223 7.671 -7.984 1.00 0.44 C ATOM 549 CZ TYR A 22 3.031 7.740 -7.296 1.00 0.50 C ATOM 550 OH TYR A 22 2.020 6.858 -7.590 1.00 0.57 O ATOM 0 H TYR A 22 7.382 12.680 -6.076 1.00 0.29 H new ATOM 0 HA TYR A 22 6.695 11.247 -8.391 1.00 0.28 H new ATOM 0 HB2 TYR A 22 7.100 10.050 -6.374 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.956 11.017 -5.465 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.693 10.345 -5.284 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.158 8.525 -8.246 1.00 0.38 H new ATOM 0 HE1 TYR A 22 1.901 8.751 -5.796 1.00 0.48 H new ATOM 0 HE2 TYR A 22 4.371 6.913 -8.739 1.00 0.44 H new ATOM 0 HH TYR A 22 2.093 6.577 -8.526 1.00 0.57 H new ATOM 560 N LEU A 23 4.251 13.005 -7.024 1.00 0.28 N ATOM 561 CA LEU A 23 2.901 13.512 -7.244 1.00 0.30 C ATOM 562 C LEU A 23 2.843 14.317 -8.535 1.00 0.34 C ATOM 563 O LEU A 23 1.903 14.190 -9.319 1.00 0.37 O ATOM 564 CB LEU A 23 2.454 14.390 -6.073 1.00 0.30 C ATOM 565 CG LEU A 23 2.277 13.664 -4.741 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.931 14.653 -3.641 1.00 0.33 C ATOM 567 CD2 LEU A 23 1.197 12.601 -4.854 1.00 0.32 C ATOM 0 H LEU A 23 4.705 13.367 -6.185 1.00 0.28 H new ATOM 0 HA LEU A 23 2.228 12.658 -7.321 1.00 0.30 H new ATOM 0 HB2 LEU A 23 3.185 15.187 -5.939 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.509 14.865 -6.337 1.00 0.30 H new ATOM 0 HG LEU A 23 3.218 13.176 -4.487 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.808 14.120 -2.698 1.00 0.33 H new ATOM 0 HD12 LEU A 23 2.734 15.384 -3.543 1.00 0.33 H new ATOM 0 HD13 LEU A 23 1.002 15.166 -3.892 1.00 0.33 H new ATOM 0 HD21 LEU A 23 1.084 12.094 -3.896 1.00 0.32 H new ATOM 0 HD22 LEU A 23 0.252 13.070 -5.130 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.479 11.876 -5.618 1.00 0.32 H new ATOM 579 N LYS A 24 3.870 15.128 -8.754 1.00 0.34 N ATOM 580 CA LYS A 24 3.956 15.954 -9.950 1.00 0.39 C ATOM 581 C LYS A 24 4.084 15.074 -11.190 1.00 0.40 C ATOM 582 O LYS A 24 3.433 15.313 -12.207 1.00 0.44 O ATOM 583 CB LYS A 24 5.149 16.907 -9.851 1.00 0.41 C ATOM 584 CG LYS A 24 5.090 17.839 -8.650 1.00 0.45 C ATOM 585 CD LYS A 24 6.295 18.761 -8.598 1.00 0.55 C ATOM 586 CE LYS A 24 6.240 19.687 -7.392 1.00 1.35 C ATOM 587 NZ LYS A 24 7.395 20.622 -7.354 1.00 1.88 N ATOM 0 H LYS A 24 4.658 15.231 -8.115 1.00 0.34 H new ATOM 0 HA LYS A 24 3.044 16.545 -10.033 1.00 0.39 H new ATOM 0 HB2 LYS A 24 6.067 16.322 -9.800 1.00 0.41 H new ATOM 0 HB3 LYS A 24 5.202 17.505 -10.761 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.178 18.434 -8.695 1.00 0.45 H new ATOM 0 HG3 LYS A 24 5.042 17.250 -7.734 1.00 0.45 H new ATOM 0 HD2 LYS A 24 7.208 18.166 -8.559 1.00 0.55 H new ATOM 0 HD3 LYS A 24 6.340 19.354 -9.511 1.00 0.55 H new ATOM 0 HE2 LYS A 24 5.312 20.258 -7.416 1.00 1.35 H new ATOM 0 HE3 LYS A 24 6.225 19.092 -6.479 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 7.318 21.235 -6.517 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 8.280 20.078 -7.305 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 7.396 21.208 -8.213 1.00 1.88 H new ATOM 601 N ALA A 25 4.923 14.049 -11.084 1.00 0.40 N ATOM 602 CA ALA A 25 5.092 13.065 -12.149 1.00 0.43 C ATOM 603 C ALA A 25 3.762 12.401 -12.497 1.00 0.43 C ATOM 604 O ALA A 25 3.456 12.170 -13.669 1.00 0.44 O ATOM 605 CB ALA A 25 6.108 12.015 -11.737 1.00 0.43 C ATOM 0 H ALA A 25 5.502 13.877 -10.262 1.00 0.40 H new ATOM 0 HA ALA A 25 5.456 13.584 -13.036 1.00 0.43 H new ATOM 0 HB1 ALA A 25 6.225 11.287 -12.540 1.00 0.43 H new ATOM 0 HB2 ALA A 25 7.067 12.494 -11.539 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.763 11.509 -10.836 1.00 0.43 H new ATOM 611 N ARG A 26 2.972 12.120 -11.468 1.00 0.43 N ATOM 612 CA ARG A 26 1.659 11.506 -11.638 1.00 0.45 C ATOM 613 C ARG A 26 0.673 12.477 -12.281 1.00 0.47 C ATOM 614 O ARG A 26 -0.372 12.073 -12.793 1.00 0.51 O ATOM 615 CB ARG A 26 1.102 11.047 -10.293 1.00 0.48 C ATOM 616 CG ARG A 26 1.727 9.776 -9.746 1.00 0.85 C ATOM 617 CD ARG A 26 1.514 8.593 -10.677 1.00 0.72 C ATOM 618 NE ARG A 26 0.130 8.478 -11.138 1.00 0.76 N ATOM 619 CZ ARG A 26 -0.354 7.403 -11.753 1.00 0.78 C ATOM 620 NH1 ARG A 26 0.386 6.310 -11.843 1.00 1.29 N ATOM 621 NH2 ARG A 26 -1.588 7.413 -12.245 1.00 1.06 N ATOM 0 H ARG A 26 3.221 12.310 -10.497 1.00 0.43 H new ATOM 0 HA ARG A 26 1.786 10.645 -12.294 1.00 0.45 H new ATOM 0 HB2 ARG A 26 1.242 11.846 -9.566 1.00 0.48 H new ATOM 0 HB3 ARG A 26 0.028 10.893 -10.394 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.795 9.932 -9.596 1.00 0.85 H new ATOM 0 HG3 ARG A 26 1.298 9.551 -8.770 1.00 0.85 H new ATOM 0 HD2 ARG A 26 2.173 8.692 -11.540 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.798 7.675 -10.162 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.498 9.266 -10.979 1.00 0.76 H new ATOM 0 HH11 ARG A 26 1.324 6.294 -11.442 1.00 1.29 H new ATOM 0 HH12 ARG A 26 0.019 5.483 -12.314 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.168 8.247 -12.152 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -1.956 6.587 -12.716 1.00 1.06 H new ATOM 635 N GLY A 27 1.005 13.757 -12.243 1.00 0.46 N ATOM 636 CA GLY A 27 0.140 14.763 -12.817 1.00 0.49 C ATOM 637 C GLY A 27 -0.748 15.417 -11.783 1.00 0.50 C ATOM 638 O GLY A 27 -1.690 16.130 -12.128 1.00 0.62 O ATOM 0 H GLY A 27 1.862 14.118 -11.823 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.747 15.525 -13.305 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -0.480 14.308 -13.589 1.00 0.49 H new ATOM 642 N TYR A 28 -0.454 15.179 -10.512 1.00 0.48 N ATOM 643 CA TYR A 28 -1.224 15.778 -9.434 1.00 0.53 C ATOM 644 C TYR A 28 -0.885 17.252 -9.305 1.00 0.56 C ATOM 645 O TYR A 28 0.281 17.623 -9.135 1.00 0.54 O ATOM 646 CB TYR A 28 -0.960 15.065 -8.106 1.00 0.51 C ATOM 647 CG TYR A 28 -1.594 13.697 -8.011 1.00 0.53 C ATOM 648 CD1 TYR A 28 -0.813 12.553 -8.019 1.00 0.52 C ATOM 649 CD2 TYR A 28 -2.969 13.549 -7.922 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.379 11.297 -7.938 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.546 12.297 -7.841 1.00 0.63 C ATOM 652 CZ TYR A 28 -2.773 11.189 -7.826 1.00 0.60 C ATOM 653 OH TYR A 28 -3.321 9.929 -7.756 1.00 0.64 O ATOM 0 H TYR A 28 0.310 14.577 -10.204 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.282 15.672 -9.676 1.00 0.53 H new ATOM 0 HB2 TYR A 28 0.116 14.967 -7.965 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.333 15.685 -7.291 1.00 0.51 H new ATOM 0 HD1 TYR A 28 0.261 12.646 -8.090 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -3.599 14.426 -7.916 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -0.759 10.413 -7.960 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -4.621 12.203 -7.789 1.00 0.63 H new ATOM 0 HH TYR A 28 -2.607 9.259 -7.799 1.00 0.64 H new ATOM 663 N GLY A 29 -1.908 18.087 -9.399 1.00 0.68 N ATOM 664 CA GLY A 29 -1.709 19.512 -9.291 1.00 0.80 C ATOM 665 C GLY A 29 -1.516 19.959 -7.858 1.00 0.88 C ATOM 666 O GLY A 29 -1.428 19.131 -6.946 1.00 1.54 O ATOM 0 H GLY A 29 -2.875 17.799 -9.549 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -0.838 19.800 -9.879 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -2.568 20.030 -9.718 1.00 0.80 H new ATOM 670 N TRP A 30 -1.457 21.267 -7.664 1.00 0.54 N ATOM 671 CA TRP A 30 -1.210 21.852 -6.355 1.00 0.56 C ATOM 672 C TRP A 30 -2.216 21.351 -5.316 1.00 0.54 C ATOM 673 O TRP A 30 -1.821 20.878 -4.251 1.00 0.52 O ATOM 674 CB TRP A 30 -1.250 23.382 -6.460 1.00 0.65 C ATOM 675 CG TRP A 30 -1.118 24.086 -5.146 1.00 0.75 C ATOM 676 CD1 TRP A 30 0.036 24.390 -4.484 1.00 0.84 C ATOM 677 CD2 TRP A 30 -2.188 24.583 -4.340 1.00 0.86 C ATOM 678 NE1 TRP A 30 -0.255 25.046 -3.313 1.00 0.98 N ATOM 679 CE2 TRP A 30 -1.616 25.175 -3.201 1.00 0.99 C ATOM 680 CE3 TRP A 30 -3.577 24.582 -4.475 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -2.389 25.761 -2.201 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -4.341 25.161 -3.485 1.00 1.07 C ATOM 683 CH2 TRP A 30 -3.748 25.744 -2.362 1.00 1.18 C ATOM 0 H TRP A 30 -1.579 21.953 -8.409 1.00 0.54 H new ATOM 0 HA TRP A 30 -0.221 21.541 -6.019 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -0.447 23.712 -7.119 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -2.189 23.679 -6.927 1.00 0.65 H new ATOM 0 HD1 TRP A 30 1.031 24.150 -4.830 1.00 0.84 H new ATOM 0 HE1 TRP A 30 0.430 25.383 -2.636 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -4.045 24.135 -5.340 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -1.933 26.212 -1.332 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -5.417 25.164 -3.579 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -4.375 26.191 -1.605 1.00 1.18 H new ATOM 694 N ILE A 31 -3.507 21.443 -5.637 1.00 0.60 N ATOM 695 CA ILE A 31 -4.569 21.021 -4.725 1.00 0.63 C ATOM 696 C ILE A 31 -4.378 19.586 -4.263 1.00 0.53 C ATOM 697 O ILE A 31 -4.395 19.301 -3.064 1.00 0.51 O ATOM 698 CB ILE A 31 -5.965 21.181 -5.377 1.00 0.76 C ATOM 699 CG1 ILE A 31 -6.538 22.554 -5.043 1.00 1.05 C ATOM 700 CG2 ILE A 31 -6.926 20.085 -4.926 1.00 0.69 C ATOM 701 CD1 ILE A 31 -6.814 22.730 -3.571 1.00 2.16 C ATOM 0 H ILE A 31 -3.843 21.809 -6.528 1.00 0.60 H new ATOM 0 HA ILE A 31 -4.511 21.672 -3.852 1.00 0.63 H new ATOM 0 HB ILE A 31 -5.845 21.090 -6.456 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -5.840 23.324 -5.372 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -7.462 22.703 -5.602 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -7.895 20.231 -5.404 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.525 19.111 -5.208 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -7.046 20.129 -3.843 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -7.220 23.726 -3.394 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -7.534 21.980 -3.244 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -5.887 22.611 -3.010 1.00 2.16 H new ATOM 713 N MET A 32 -4.203 18.687 -5.214 1.00 0.48 N ATOM 714 CA MET A 32 -3.999 17.282 -4.904 1.00 0.43 C ATOM 715 C MET A 32 -2.804 17.103 -3.985 1.00 0.38 C ATOM 716 O MET A 32 -2.887 16.388 -2.993 1.00 0.39 O ATOM 717 CB MET A 32 -3.821 16.460 -6.180 1.00 0.48 C ATOM 718 CG MET A 32 -5.129 16.204 -6.909 1.00 0.55 C ATOM 719 SD MET A 32 -5.820 14.565 -6.608 1.00 0.97 S ATOM 720 CE MET A 32 -6.101 14.627 -4.841 1.00 0.48 C ATOM 0 H MET A 32 -4.198 18.905 -6.211 1.00 0.48 H new ATOM 0 HA MET A 32 -4.888 16.920 -4.388 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.135 16.981 -6.848 1.00 0.48 H new ATOM 0 HB3 MET A 32 -3.359 15.505 -5.929 1.00 0.48 H new ATOM 0 HG2 MET A 32 -5.857 16.956 -6.606 1.00 0.55 H new ATOM 0 HG3 MET A 32 -4.968 16.330 -7.980 1.00 0.55 H new ATOM 0 HE1 MET A 32 -6.527 13.681 -4.507 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.155 14.800 -4.328 1.00 0.48 H new ATOM 0 HE3 MET A 32 -6.792 15.438 -4.611 1.00 0.48 H new ATOM 730 N ARG A 33 -1.712 17.788 -4.289 1.00 0.39 N ATOM 731 CA ARG A 33 -0.516 17.701 -3.464 1.00 0.41 C ATOM 732 C ARG A 33 -0.776 18.242 -2.060 1.00 0.45 C ATOM 733 O ARG A 33 -0.112 17.844 -1.107 1.00 0.60 O ATOM 734 CB ARG A 33 0.651 18.448 -4.113 1.00 0.49 C ATOM 735 CG ARG A 33 1.092 17.846 -5.439 1.00 0.90 C ATOM 736 CD ARG A 33 2.359 18.505 -5.961 1.00 0.71 C ATOM 737 NE ARG A 33 2.185 19.937 -6.191 1.00 0.77 N ATOM 738 CZ ARG A 33 2.871 20.892 -5.559 1.00 0.99 C ATOM 739 NH1 ARG A 33 3.728 20.585 -4.586 1.00 1.87 N ATOM 740 NH2 ARG A 33 2.687 22.158 -5.897 1.00 1.03 N ATOM 0 H ARG A 33 -1.629 18.407 -5.096 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.248 16.648 -3.381 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.364 19.487 -4.272 1.00 0.49 H new ATOM 0 HB3 ARG A 33 1.497 18.453 -3.426 1.00 0.49 H new ATOM 0 HG2 ARG A 33 1.263 16.777 -5.315 1.00 0.90 H new ATOM 0 HG3 ARG A 33 0.294 17.958 -6.173 1.00 0.90 H new ATOM 0 HD2 ARG A 33 3.167 18.350 -5.247 1.00 0.71 H new ATOM 0 HD3 ARG A 33 2.659 18.024 -6.892 1.00 0.71 H new ATOM 0 HE ARG A 33 1.492 20.227 -6.881 1.00 0.77 H new ATOM 0 HH11 ARG A 33 3.866 19.611 -4.316 1.00 1.87 H new ATOM 0 HH12 ARG A 33 4.246 21.324 -4.111 1.00 1.87 H new ATOM 0 HH21 ARG A 33 2.025 22.398 -6.635 1.00 1.03 H new ATOM 0 HH22 ARG A 33 3.207 22.894 -5.419 1.00 1.03 H new ATOM 754 N GLN A 34 -1.747 19.142 -1.930 1.00 0.41 N ATOM 755 CA GLN A 34 -2.098 19.694 -0.628 1.00 0.46 C ATOM 756 C GLN A 34 -2.916 18.692 0.177 1.00 0.47 C ATOM 757 O GLN A 34 -2.737 18.560 1.380 1.00 0.58 O ATOM 758 CB GLN A 34 -2.883 21.002 -0.768 1.00 0.51 C ATOM 759 CG GLN A 34 -2.130 22.110 -1.489 1.00 0.80 C ATOM 760 CD GLN A 34 -0.719 22.304 -0.969 1.00 1.39 C ATOM 761 OE1 GLN A 34 -0.487 23.055 -0.021 1.00 1.88 O ATOM 762 NE2 GLN A 34 0.236 21.647 -1.606 1.00 1.97 N ATOM 0 H GLN A 34 -2.301 19.502 -2.707 1.00 0.41 H new ATOM 0 HA GLN A 34 -1.167 19.904 -0.102 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.810 20.800 -1.305 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -3.160 21.354 0.226 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -2.090 21.881 -2.554 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -2.682 23.044 -1.384 1.00 0.80 H new ATOM 0 HE21 GLN A 34 0.000 21.035 -2.387 1.00 1.97 H new ATOM 0 HE22 GLN A 34 1.208 21.753 -1.316 1.00 1.97 H new ATOM 771 N VAL A 35 -3.813 17.984 -0.486 1.00 0.42 N ATOM 772 CA VAL A 35 -4.661 17.011 0.187 1.00 0.42 C ATOM 773 C VAL A 35 -3.882 15.740 0.512 1.00 0.40 C ATOM 774 O VAL A 35 -3.704 15.381 1.680 1.00 0.44 O ATOM 775 CB VAL A 35 -5.874 16.656 -0.703 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.691 15.526 -0.104 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.745 17.880 -0.933 1.00 0.65 C ATOM 0 H VAL A 35 -3.975 18.063 -1.490 1.00 0.42 H new ATOM 0 HA VAL A 35 -5.009 17.456 1.119 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.490 16.315 -1.665 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.536 15.303 -0.756 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -6.066 14.639 -0.003 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -7.059 15.824 0.878 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.593 17.610 -1.562 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -7.107 18.254 0.025 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -6.160 18.655 -1.427 1.00 0.65 H new ATOM 787 N ILE A 36 -3.442 15.070 -0.546 1.00 0.38 N ATOM 788 CA ILE A 36 -2.689 13.819 -0.478 1.00 0.39 C ATOM 789 C ILE A 36 -1.604 13.810 0.610 1.00 0.46 C ATOM 790 O ILE A 36 -1.493 12.846 1.366 1.00 0.51 O ATOM 791 CB ILE A 36 -2.057 13.546 -1.849 1.00 0.42 C ATOM 792 CG1 ILE A 36 -3.171 13.451 -2.896 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.257 12.268 -1.803 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.698 13.347 -4.328 1.00 0.51 C ATOM 0 H ILE A 36 -3.602 15.388 -1.502 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.394 13.033 -0.207 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.381 14.358 -2.116 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -3.788 12.582 -2.669 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.811 14.329 -2.804 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -0.812 12.082 -2.780 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.468 12.359 -1.056 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -1.912 11.438 -1.539 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.560 13.285 -4.992 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.108 14.228 -4.581 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.085 12.453 -4.445 1.00 0.51 H new ATOM 806 N LYS A 37 -0.819 14.877 0.706 1.00 0.52 N ATOM 807 CA LYS A 37 0.313 14.890 1.633 1.00 0.67 C ATOM 808 C LYS A 37 -0.116 15.144 3.077 1.00 0.66 C ATOM 809 O LYS A 37 0.596 14.775 4.011 1.00 0.79 O ATOM 810 CB LYS A 37 1.350 15.931 1.224 1.00 0.91 C ATOM 811 CG LYS A 37 1.990 15.664 -0.127 1.00 0.75 C ATOM 812 CD LYS A 37 3.244 16.500 -0.322 1.00 0.94 C ATOM 813 CE LYS A 37 2.966 17.985 -0.140 1.00 0.70 C ATOM 814 NZ LYS A 37 4.210 18.789 -0.204 1.00 0.97 N ATOM 0 H LYS A 37 -0.940 15.733 0.164 1.00 0.52 H new ATOM 0 HA LYS A 37 0.756 13.896 1.581 1.00 0.67 H new ATOM 0 HB2 LYS A 37 0.876 16.913 1.203 1.00 0.91 H new ATOM 0 HB3 LYS A 37 2.131 15.970 1.984 1.00 0.91 H new ATOM 0 HG2 LYS A 37 2.240 14.606 -0.210 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.276 15.886 -0.920 1.00 0.75 H new ATOM 0 HD2 LYS A 37 4.007 16.183 0.389 1.00 0.94 H new ATOM 0 HD3 LYS A 37 3.646 16.325 -1.320 1.00 0.94 H new ATOM 0 HE2 LYS A 37 2.275 18.323 -0.912 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.476 18.148 0.820 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 4.113 19.628 0.403 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 5.012 18.215 0.125 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 4.379 19.089 -1.185 1.00 0.97 H new ATOM 828 N LEU A 38 -1.264 15.768 3.269 1.00 0.63 N ATOM 829 CA LEU A 38 -1.714 16.105 4.615 1.00 0.70 C ATOM 830 C LEU A 38 -2.460 14.939 5.250 1.00 0.65 C ATOM 831 O LEU A 38 -2.468 14.785 6.474 1.00 0.91 O ATOM 832 CB LEU A 38 -2.586 17.366 4.608 1.00 0.82 C ATOM 833 CG LEU A 38 -1.828 18.699 4.712 1.00 1.08 C ATOM 834 CD1 LEU A 38 -1.110 18.806 6.047 1.00 2.08 C ATOM 835 CD2 LEU A 38 -0.836 18.858 3.571 1.00 1.61 C ATOM 0 H LEU A 38 -1.898 16.051 2.522 1.00 0.63 H new ATOM 0 HA LEU A 38 -0.829 16.311 5.217 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -3.174 17.374 3.690 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -3.290 17.304 5.438 1.00 0.82 H new ATOM 0 HG LEU A 38 -2.561 19.502 4.642 1.00 1.08 H new ATOM 0 HD11 LEU A 38 -0.580 19.757 6.100 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -1.837 18.751 6.857 1.00 2.08 H new ATOM 0 HD13 LEU A 38 -0.397 17.987 6.143 1.00 2.08 H new ATOM 0 HD21 LEU A 38 -0.315 19.810 3.672 1.00 1.61 H new ATOM 0 HD22 LEU A 38 -0.112 18.044 3.602 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -1.368 18.834 2.620 1.00 1.61 H new ATOM 847 N ALA A 39 -3.079 14.119 4.414 1.00 0.52 N ATOM 848 CA ALA A 39 -3.764 12.928 4.875 1.00 0.53 C ATOM 849 C ALA A 39 -2.782 11.921 5.463 1.00 0.60 C ATOM 850 O ALA A 39 -1.827 11.510 4.801 1.00 1.03 O ATOM 851 CB ALA A 39 -4.541 12.297 3.730 1.00 0.55 C ATOM 0 H ALA A 39 -3.119 14.262 3.405 1.00 0.52 H new ATOM 0 HA ALA A 39 -4.460 13.219 5.662 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -5.052 11.403 4.086 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -5.275 13.009 3.353 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.853 12.027 2.929 1.00 0.55 H new ATOM 857 N GLY A 40 -3.009 11.549 6.715 1.00 0.43 N ATOM 858 CA GLY A 40 -2.217 10.507 7.335 1.00 0.46 C ATOM 859 C GLY A 40 -2.643 9.148 6.833 1.00 0.46 C ATOM 860 O GLY A 40 -3.802 8.963 6.468 1.00 0.84 O ATOM 0 H GLY A 40 -3.730 11.952 7.314 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -1.161 10.667 7.117 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -2.330 10.553 8.418 1.00 0.46 H new ATOM 864 N VAL A 41 -1.726 8.195 6.805 1.00 0.44 N ATOM 865 CA VAL A 41 -2.014 6.905 6.202 1.00 0.45 C ATOM 866 C VAL A 41 -1.762 5.756 7.169 1.00 0.36 C ATOM 867 O VAL A 41 -0.692 5.645 7.761 1.00 0.41 O ATOM 868 CB VAL A 41 -1.182 6.680 4.921 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.582 5.376 4.244 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.335 7.852 3.962 1.00 1.30 C ATOM 0 H VAL A 41 -0.785 8.288 7.189 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.073 6.919 5.943 1.00 0.45 H new ATOM 0 HB VAL A 41 -0.132 6.611 5.206 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -0.984 5.235 3.343 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.410 4.544 4.927 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -2.638 5.414 3.977 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -0.740 7.670 3.067 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.383 7.960 3.684 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -0.992 8.766 4.447 1.00 1.30 H new ATOM 880 N THR A 42 -2.773 4.921 7.330 1.00 0.31 N ATOM 881 CA THR A 42 -2.665 3.713 8.121 1.00 0.30 C ATOM 882 C THR A 42 -2.861 2.492 7.225 1.00 0.29 C ATOM 883 O THR A 42 -3.945 2.283 6.677 1.00 0.32 O ATOM 884 CB THR A 42 -3.722 3.697 9.243 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.678 4.934 9.971 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.493 2.534 10.197 1.00 0.45 C ATOM 0 H THR A 42 -3.693 5.064 6.914 1.00 0.31 H new ATOM 0 HA THR A 42 -1.674 3.686 8.573 1.00 0.30 H new ATOM 0 HB THR A 42 -4.703 3.575 8.783 1.00 0.35 H new ATOM 0 HG1 THR A 42 -4.353 4.920 10.682 1.00 0.40 H new ATOM 0 HG21 THR A 42 -4.254 2.549 10.978 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.555 1.595 9.647 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.506 2.624 10.650 1.00 0.45 H new ATOM 894 N LYS A 43 -1.808 1.707 7.059 1.00 0.31 N ATOM 895 CA LYS A 43 -1.881 0.499 6.250 1.00 0.35 C ATOM 896 C LYS A 43 -1.811 -0.725 7.140 1.00 0.33 C ATOM 897 O LYS A 43 -1.052 -0.757 8.101 1.00 0.41 O ATOM 898 CB LYS A 43 -0.771 0.459 5.202 1.00 0.50 C ATOM 899 CG LYS A 43 -1.056 1.334 3.996 1.00 0.77 C ATOM 900 CD LYS A 43 -0.017 1.148 2.902 1.00 0.53 C ATOM 901 CE LYS A 43 -0.443 1.825 1.605 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.800 3.249 1.811 1.00 0.79 N ATOM 0 H LYS A 43 -0.893 1.884 7.473 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.834 0.504 5.721 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.165 0.778 5.661 1.00 0.50 H new ATOM 0 HB3 LYS A 43 -0.630 -0.570 4.871 1.00 0.50 H new ATOM 0 HG2 LYS A 43 -2.044 1.098 3.602 1.00 0.77 H new ATOM 0 HG3 LYS A 43 -1.077 2.380 4.303 1.00 0.77 H new ATOM 0 HD2 LYS A 43 0.937 1.559 3.232 1.00 0.53 H new ATOM 0 HD3 LYS A 43 0.139 0.084 2.724 1.00 0.53 H new ATOM 0 HE2 LYS A 43 0.366 1.756 0.878 1.00 0.59 H new ATOM 0 HE3 LYS A 43 -1.297 1.295 1.183 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.919 3.714 0.888 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -1.689 3.310 2.347 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -0.042 3.723 2.343 1.00 0.79 H new ATOM 916 N LYS A 44 -2.611 -1.724 6.827 1.00 0.31 N ATOM 917 CA LYS A 44 -2.703 -2.906 7.663 1.00 0.35 C ATOM 918 C LYS A 44 -2.818 -4.173 6.828 1.00 0.34 C ATOM 919 O LYS A 44 -3.580 -4.232 5.861 1.00 0.47 O ATOM 920 CB LYS A 44 -3.899 -2.775 8.610 1.00 0.44 C ATOM 921 CG LYS A 44 -5.131 -2.203 7.933 1.00 0.90 C ATOM 922 CD LYS A 44 -6.288 -1.995 8.897 1.00 0.88 C ATOM 923 CE LYS A 44 -6.886 -3.311 9.365 1.00 1.39 C ATOM 924 NZ LYS A 44 -8.193 -3.104 10.041 1.00 1.96 N ATOM 0 H LYS A 44 -3.207 -1.742 6.000 1.00 0.31 H new ATOM 0 HA LYS A 44 -1.787 -2.984 8.248 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -4.139 -3.756 9.021 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -3.623 -2.137 9.449 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.876 -1.251 7.468 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -5.446 -2.874 7.134 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -5.942 -1.427 9.761 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -7.061 -1.398 8.412 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -7.018 -3.976 8.512 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -6.195 -3.803 10.049 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -8.501 -3.995 10.481 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -8.093 -2.372 10.773 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -8.901 -2.800 9.342 1.00 1.96 H new ATOM 938 N PHE A 45 -2.046 -5.173 7.218 1.00 0.29 N ATOM 939 CA PHE A 45 -2.086 -6.483 6.588 1.00 0.29 C ATOM 940 C PHE A 45 -2.434 -7.533 7.624 1.00 0.30 C ATOM 941 O PHE A 45 -1.968 -7.466 8.760 1.00 0.37 O ATOM 942 CB PHE A 45 -0.747 -6.836 5.945 1.00 0.32 C ATOM 943 CG PHE A 45 -0.472 -6.133 4.651 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.060 -4.855 4.637 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.736 -6.760 3.446 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.322 -4.217 3.443 1.00 0.49 C ATOM 947 CE2 PHE A 45 -0.478 -6.126 2.249 1.00 0.52 C ATOM 948 CZ PHE A 45 0.051 -4.853 2.247 1.00 0.54 C ATOM 0 H PHE A 45 -1.373 -5.100 7.981 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.845 -6.457 5.806 1.00 0.29 H new ATOM 0 HB2 PHE A 45 0.052 -6.601 6.648 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.714 -7.912 5.773 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.272 -4.353 5.570 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -1.149 -7.758 3.443 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.739 -3.221 3.443 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.690 -6.626 1.315 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.253 -4.353 1.311 1.00 0.54 H new ATOM 958 N ARG A 46 -3.251 -8.492 7.233 1.00 0.31 N ATOM 959 CA ARG A 46 -3.711 -9.519 8.148 1.00 0.33 C ATOM 960 C ARG A 46 -4.321 -10.679 7.384 1.00 0.31 C ATOM 961 O ARG A 46 -4.461 -10.623 6.164 1.00 0.33 O ATOM 962 CB ARG A 46 -4.752 -8.928 9.100 1.00 0.39 C ATOM 963 CG ARG A 46 -5.918 -8.297 8.363 1.00 0.50 C ATOM 964 CD ARG A 46 -6.867 -7.580 9.298 1.00 0.64 C ATOM 965 NE ARG A 46 -7.944 -6.938 8.552 1.00 1.51 N ATOM 966 CZ ARG A 46 -8.999 -6.357 9.103 1.00 2.03 C ATOM 967 NH1 ARG A 46 -9.148 -6.339 10.421 1.00 1.85 N ATOM 968 NH2 ARG A 46 -9.903 -5.790 8.322 1.00 3.17 N ATOM 0 H ARG A 46 -3.611 -8.581 6.283 1.00 0.31 H new ATOM 0 HA ARG A 46 -2.858 -9.887 8.719 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.124 -9.712 9.759 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.277 -8.178 9.733 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -5.539 -7.592 7.623 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.462 -9.069 7.819 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -7.286 -8.289 10.012 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -6.322 -6.832 9.874 1.00 0.64 H new ATOM 0 HE ARG A 46 -7.880 -6.937 7.534 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -8.447 -6.775 11.020 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -9.964 -5.889 10.836 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -9.783 -5.804 7.309 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -10.721 -5.339 8.732 1.00 3.17 H new ATOM 982 N ASN A 47 -4.659 -11.725 8.113 1.00 0.33 N ATOM 983 CA ASN A 47 -5.421 -12.832 7.554 1.00 0.37 C ATOM 984 C ASN A 47 -6.802 -12.328 7.146 1.00 0.39 C ATOM 985 O ASN A 47 -7.228 -11.270 7.621 1.00 0.54 O ATOM 986 CB ASN A 47 -5.534 -13.972 8.567 1.00 0.50 C ATOM 987 CG ASN A 47 -4.202 -14.655 8.823 1.00 0.92 C ATOM 988 OD1 ASN A 47 -3.457 -14.274 9.725 1.00 1.85 O ATOM 989 ND2 ASN A 47 -3.887 -15.667 8.033 1.00 1.44 N ATOM 0 H ASN A 47 -4.418 -11.834 9.098 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.907 -13.222 6.675 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.925 -13.582 9.507 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -6.252 -14.707 8.204 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -3.002 -16.158 8.162 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -4.529 -15.957 7.295 1.00 1.44 H new ATOM 996 N ALA A 48 -7.495 -13.059 6.271 1.00 0.36 N ATOM 997 CA ALA A 48 -8.777 -12.605 5.728 1.00 0.41 C ATOM 998 C ALA A 48 -9.730 -12.121 6.816 1.00 0.64 C ATOM 999 O ALA A 48 -9.713 -12.632 7.935 1.00 0.87 O ATOM 1000 CB ALA A 48 -9.426 -13.710 4.914 1.00 0.49 C ATOM 0 H ALA A 48 -7.190 -13.968 5.923 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.568 -11.754 5.080 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -10.378 -13.358 4.517 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.769 -13.988 4.090 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.597 -14.578 5.550 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.533 -11.120 6.471 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.466 -10.480 7.399 1.00 1.18 C ATOM 1008 C ALA A 49 -12.207 -11.487 8.271 1.00 1.17 C ATOM 1009 O ALA A 49 -12.039 -11.504 9.492 1.00 1.46 O ATOM 1010 CB ALA A 49 -12.455 -9.638 6.621 1.00 1.48 C ATOM 0 H ALA A 49 -10.557 -10.725 5.531 1.00 0.83 H new ATOM 0 HA ALA A 49 -10.882 -9.849 8.069 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -13.150 -9.161 7.312 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -11.919 -8.873 6.060 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -13.009 -10.273 5.930 1.00 1.48 H new ATOM 1016 N SER A 50 -13.011 -12.326 7.636 1.00 1.12 N ATOM 1017 CA SER A 50 -13.738 -13.367 8.340 1.00 1.50 C ATOM 1018 C SER A 50 -12.758 -14.344 8.975 1.00 1.66 C ATOM 1019 O SER A 50 -12.941 -14.808 10.103 1.00 2.19 O ATOM 1020 CB SER A 50 -14.662 -14.100 7.372 1.00 1.77 C ATOM 1021 OG SER A 50 -15.709 -13.254 6.921 1.00 2.37 O ATOM 0 H SER A 50 -13.176 -12.304 6.630 1.00 1.12 H new ATOM 0 HA SER A 50 -14.341 -12.913 9.126 1.00 1.50 H new ATOM 0 HB2 SER A 50 -14.087 -14.459 6.518 1.00 1.77 H new ATOM 0 HB3 SER A 50 -15.085 -14.977 7.862 1.00 1.77 H new ATOM 0 HG SER A 50 -16.285 -13.748 6.301 1.00 2.37 H new ATOM 1027 N GLY A 51 -11.711 -14.645 8.231 1.00 1.42 N ATOM 1028 CA GLY A 51 -10.662 -15.504 8.734 1.00 1.68 C ATOM 1029 C GLY A 51 -10.459 -16.717 7.865 1.00 1.70 C ATOM 1030 O GLY A 51 -10.086 -17.786 8.349 1.00 1.91 O ATOM 0 H GLY A 51 -11.566 -14.308 7.279 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -9.730 -14.941 8.794 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -10.908 -15.821 9.747 1.00 1.68 H new ATOM 1034 N LYS A 52 -10.711 -16.557 6.576 1.00 1.54 N ATOM 1035 CA LYS A 52 -10.511 -17.634 5.624 1.00 1.60 C ATOM 1036 C LYS A 52 -9.023 -17.911 5.473 1.00 1.44 C ATOM 1037 O LYS A 52 -8.210 -16.989 5.517 1.00 1.37 O ATOM 1038 CB LYS A 52 -11.113 -17.268 4.267 1.00 1.62 C ATOM 1039 CG LYS A 52 -12.600 -16.957 4.320 1.00 1.92 C ATOM 1040 CD LYS A 52 -13.167 -16.734 2.925 1.00 1.94 C ATOM 1041 CE LYS A 52 -13.274 -18.038 2.148 1.00 2.59 C ATOM 1042 NZ LYS A 52 -14.406 -18.877 2.622 1.00 3.17 N ATOM 0 H LYS A 52 -11.055 -15.689 6.166 1.00 1.54 H new ATOM 0 HA LYS A 52 -11.011 -18.529 5.994 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -10.584 -16.403 3.867 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -10.948 -18.092 3.573 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -13.129 -17.779 4.803 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -12.767 -16.069 4.929 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -14.152 -16.274 3.001 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -12.531 -16.037 2.380 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -13.404 -17.819 1.088 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -12.343 -18.596 2.246 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -14.528 -19.688 1.983 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -14.205 -19.220 3.583 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -15.278 -18.310 2.632 1.00 3.17 H new ATOM 1056 N PRO A 53 -8.650 -19.182 5.315 1.00 1.49 N ATOM 1057 CA PRO A 53 -7.255 -19.575 5.152 1.00 1.40 C ATOM 1058 C PRO A 53 -6.746 -19.272 3.750 1.00 1.15 C ATOM 1059 O PRO A 53 -7.501 -19.378 2.773 1.00 1.15 O ATOM 1060 CB PRO A 53 -7.285 -21.077 5.408 1.00 1.68 C ATOM 1061 CG PRO A 53 -8.637 -21.495 4.958 1.00 1.84 C ATOM 1062 CD PRO A 53 -9.556 -20.344 5.273 1.00 1.76 C ATOM 0 HA PRO A 53 -6.585 -19.035 5.821 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -6.503 -21.592 4.851 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -7.128 -21.305 6.462 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -8.641 -21.717 3.891 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -8.956 -22.401 5.473 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -10.326 -20.225 4.511 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -10.068 -20.488 6.224 1.00 1.76 H new ATOM 1070 N ASP A 54 -5.486 -18.847 3.682 1.00 1.04 N ATOM 1071 CA ASP A 54 -4.794 -18.537 2.429 1.00 0.90 C ATOM 1072 C ASP A 54 -5.140 -17.119 1.998 1.00 0.68 C ATOM 1073 O ASP A 54 -4.260 -16.305 1.733 1.00 0.97 O ATOM 1074 CB ASP A 54 -5.129 -19.561 1.329 1.00 1.06 C ATOM 1075 CG ASP A 54 -4.476 -19.253 0.000 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -5.138 -18.634 -0.859 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -3.308 -19.650 -0.204 1.00 1.60 O ATOM 0 H ASP A 54 -4.906 -18.705 4.509 1.00 1.04 H new ATOM 0 HA ASP A 54 -3.719 -18.601 2.596 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -4.816 -20.552 1.658 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -6.210 -19.597 1.194 1.00 1.06 H new ATOM 1082 N ARG A 55 -6.430 -16.840 1.924 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.915 -15.484 1.676 1.00 0.47 C ATOM 1084 C ARG A 55 -6.538 -14.550 2.824 1.00 0.41 C ATOM 1085 O ARG A 55 -6.671 -14.895 4.000 1.00 0.51 O ATOM 1086 CB ARG A 55 -8.435 -15.479 1.485 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.920 -16.455 0.426 1.00 1.24 C ATOM 1088 CD ARG A 55 -8.487 -16.057 -0.978 1.00 1.87 C ATOM 1089 NE ARG A 55 -9.173 -14.857 -1.460 1.00 2.57 N ATOM 1090 CZ ARG A 55 -9.345 -14.558 -2.753 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -8.915 -15.387 -3.703 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -9.957 -13.433 -3.095 1.00 4.10 N ATOM 0 H ARG A 55 -7.168 -17.536 2.032 1.00 0.63 H new ATOM 0 HA ARG A 55 -6.441 -15.125 0.762 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -8.913 -15.720 2.435 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.755 -14.473 1.213 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -8.537 -17.450 0.652 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -10.008 -16.515 0.464 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -7.411 -15.884 -0.987 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -8.683 -16.883 -1.662 1.00 1.87 H new ATOM 0 HE ARG A 55 -9.543 -14.207 -0.766 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -8.450 -16.258 -3.447 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -9.051 -15.151 -4.686 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -10.296 -12.797 -2.373 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -10.089 -13.203 -4.080 1.00 4.10 H new ATOM 1106 N TYR A 56 -6.073 -13.370 2.472 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.674 -12.367 3.450 1.00 0.32 C ATOM 1108 C TYR A 56 -6.551 -11.126 3.338 1.00 0.33 C ATOM 1109 O TYR A 56 -7.419 -11.049 2.472 1.00 0.41 O ATOM 1110 CB TYR A 56 -4.208 -11.986 3.243 1.00 0.34 C ATOM 1111 CG TYR A 56 -3.224 -13.010 3.763 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.671 -13.971 2.927 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.846 -13.009 5.098 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -1.771 -14.901 3.411 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -1.948 -13.933 5.587 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.415 -14.877 4.741 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.518 -15.796 5.229 1.00 0.97 O ATOM 0 H TYR A 56 -5.959 -13.074 1.502 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.798 -12.791 4.446 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -4.030 -11.835 2.178 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -4.018 -11.033 3.736 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -2.948 -13.992 1.883 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.263 -12.270 5.766 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.349 -15.643 2.750 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.664 -13.916 6.629 1.00 0.69 H new ATOM 0 HH TYR A 56 -0.376 -15.638 6.186 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.327 -10.166 4.217 1.00 0.32 N ATOM 1128 CA ASP A 57 -7.082 -8.922 4.213 1.00 0.34 C ATOM 1129 C ASP A 57 -6.130 -7.749 4.393 1.00 0.29 C ATOM 1130 O ASP A 57 -5.180 -7.827 5.172 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.135 -8.935 5.330 1.00 0.43 C ATOM 1132 CG ASP A 57 -9.021 -7.702 5.336 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.627 -6.684 5.941 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.101 -7.736 4.712 1.00 0.99 O ATOM 0 H ASP A 57 -5.621 -10.224 4.951 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.598 -8.818 3.258 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.759 -9.822 5.221 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.631 -9.017 6.293 1.00 0.43 H new ATOM 1139 N MET A 58 -6.369 -6.678 3.656 1.00 0.27 N ATOM 1140 CA MET A 58 -5.510 -5.502 3.711 1.00 0.26 C ATOM 1141 C MET A 58 -6.366 -4.252 3.606 1.00 0.27 C ATOM 1142 O MET A 58 -7.340 -4.228 2.862 1.00 0.33 O ATOM 1143 CB MET A 58 -4.472 -5.557 2.580 1.00 0.30 C ATOM 1144 CG MET A 58 -3.431 -4.449 2.621 1.00 0.51 C ATOM 1145 SD MET A 58 -4.039 -2.880 1.986 1.00 0.98 S ATOM 1146 CE MET A 58 -2.610 -1.850 2.277 1.00 0.36 C ATOM 0 H MET A 58 -7.153 -6.596 3.009 1.00 0.27 H new ATOM 0 HA MET A 58 -4.973 -5.480 4.659 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.961 -6.519 2.620 1.00 0.30 H new ATOM 0 HB3 MET A 58 -4.993 -5.512 1.624 1.00 0.30 H new ATOM 0 HG2 MET A 58 -3.096 -4.312 3.649 1.00 0.51 H new ATOM 0 HG3 MET A 58 -2.561 -4.756 2.041 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.561 -1.072 1.515 1.00 0.36 H new ATOM 0 HE2 MET A 58 -2.688 -1.389 3.261 1.00 0.36 H new ATOM 0 HE3 MET A 58 -1.707 -2.459 2.233 1.00 0.36 H new ATOM 1156 N GLU A 59 -6.014 -3.215 4.347 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.846 -2.029 4.398 1.00 0.32 C ATOM 1158 C GLU A 59 -6.015 -0.752 4.503 1.00 0.31 C ATOM 1159 O GLU A 59 -4.914 -0.754 5.060 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.836 -2.166 5.567 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.702 -0.946 5.829 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.750 -1.198 6.898 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -9.452 -1.896 7.889 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -10.880 -0.689 6.752 1.00 1.11 O ATOM 0 H GLU A 59 -5.168 -3.171 4.915 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.404 -1.945 3.465 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -8.487 -3.018 5.373 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -7.274 -2.394 6.473 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -8.069 -0.113 6.134 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -9.195 -0.649 4.904 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.549 0.325 3.932 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.896 1.627 3.951 1.00 0.42 C ATOM 1173 C ASN A 60 -6.823 2.659 4.560 1.00 0.46 C ATOM 1174 O ASN A 60 -7.827 3.037 3.951 1.00 0.60 O ATOM 1175 CB ASN A 60 -5.524 2.087 2.538 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.536 1.175 1.847 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -3.333 1.343 1.980 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -5.041 0.224 1.075 1.00 1.02 N ATOM 0 H ASN A 60 -7.445 0.318 3.445 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.987 1.529 4.544 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -6.430 2.151 1.935 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -5.104 3.091 2.590 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -4.419 -0.402 0.564 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -6.052 0.118 0.992 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.500 3.108 5.757 1.00 0.38 N ATOM 1186 CA LEU A 61 -7.281 4.142 6.411 1.00 0.39 C ATOM 1187 C LEU A 61 -6.501 5.443 6.441 1.00 0.39 C ATOM 1188 O LEU A 61 -5.367 5.485 6.913 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.659 3.719 7.831 1.00 0.42 C ATOM 1190 CG LEU A 61 -8.648 2.558 7.922 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -8.927 2.213 9.376 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -9.941 2.900 7.197 1.00 1.66 C ATOM 0 H LEU A 61 -5.702 2.774 6.297 1.00 0.38 H new ATOM 0 HA LEU A 61 -8.199 4.292 5.843 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -6.750 3.443 8.365 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -8.084 4.579 8.348 1.00 0.42 H new ATOM 0 HG LEU A 61 -8.204 1.687 7.439 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -9.633 1.384 9.424 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -7.997 1.926 9.867 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -9.351 3.081 9.881 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -10.633 2.061 7.272 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -10.390 3.783 7.651 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -9.727 3.101 6.147 1.00 1.66 H new ATOM 1204 N THR A 62 -7.099 6.500 5.919 1.00 0.34 N ATOM 1205 CA THR A 62 -6.453 7.792 5.882 1.00 0.35 C ATOM 1206 C THR A 62 -7.413 8.842 6.411 1.00 0.37 C ATOM 1207 O THR A 62 -8.511 8.509 6.855 1.00 0.43 O ATOM 1208 CB THR A 62 -5.994 8.174 4.454 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.125 8.395 3.611 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.132 7.081 3.840 1.00 0.45 C ATOM 0 H THR A 62 -8.035 6.484 5.514 1.00 0.34 H new ATOM 0 HA THR A 62 -5.561 7.741 6.507 1.00 0.35 H new ATOM 0 HB THR A 62 -5.405 9.088 4.535 1.00 0.36 H new ATOM 0 HG1 THR A 62 -7.282 7.600 3.060 1.00 0.34 H new ATOM 0 HG21 THR A 62 -4.826 7.379 2.837 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.248 6.925 4.458 1.00 0.45 H new ATOM 0 HG23 THR A 62 -5.704 6.155 3.784 1.00 0.45 H new ATOM 1218 N THR A 63 -7.019 10.096 6.367 1.00 0.42 N ATOM 1219 CA THR A 63 -7.877 11.163 6.844 1.00 0.46 C ATOM 1220 C THR A 63 -8.858 11.593 5.758 1.00 0.46 C ATOM 1221 O THR A 63 -9.963 12.062 6.043 1.00 0.54 O ATOM 1222 CB THR A 63 -7.025 12.368 7.273 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.477 13.016 6.122 1.00 0.52 O ATOM 1224 CG2 THR A 63 -5.889 11.906 8.163 1.00 0.50 C ATOM 0 H THR A 63 -6.115 10.403 6.008 1.00 0.42 H new ATOM 0 HA THR A 63 -8.442 10.792 7.699 1.00 0.46 H new ATOM 0 HB THR A 63 -7.660 13.066 7.818 1.00 0.50 H new ATOM 0 HG1 THR A 63 -6.217 13.932 6.355 1.00 0.52 H new ATOM 0 HG21 THR A 63 -5.289 12.765 8.463 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.296 11.420 9.050 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.263 11.200 7.617 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.452 11.412 4.509 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.219 11.912 3.381 1.00 0.50 C ATOM 1234 C LYS A 64 -9.947 10.783 2.665 1.00 0.49 C ATOM 1235 O LYS A 64 -10.934 11.015 1.968 1.00 0.60 O ATOM 1236 CB LYS A 64 -8.279 12.615 2.398 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.985 13.561 1.446 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.590 14.743 2.185 1.00 0.88 C ATOM 1239 CE LYS A 64 -10.303 15.697 1.241 1.00 1.64 C ATOM 1240 NZ LYS A 64 -11.533 15.097 0.663 1.00 2.24 N ATOM 0 H LYS A 64 -7.595 10.922 4.253 1.00 0.46 H new ATOM 0 HA LYS A 64 -9.963 12.614 3.758 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -7.531 13.173 2.961 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -7.746 11.862 1.818 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -8.279 13.921 0.698 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -9.769 13.024 0.912 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -10.293 14.381 2.935 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -8.804 15.279 2.718 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -10.563 16.610 1.777 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -9.626 15.982 0.435 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -12.050 15.819 0.121 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -11.273 14.311 0.033 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -12.139 14.741 1.430 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.460 9.565 2.837 1.00 0.49 N ATOM 1255 CA LYS A 65 -9.958 8.430 2.079 1.00 0.49 C ATOM 1256 C LYS A 65 -10.024 7.168 2.937 1.00 0.52 C ATOM 1257 O LYS A 65 -10.038 7.240 4.168 1.00 1.09 O ATOM 1258 CB LYS A 65 -9.074 8.215 0.839 1.00 0.73 C ATOM 1259 CG LYS A 65 -9.458 9.088 -0.344 1.00 1.18 C ATOM 1260 CD LYS A 65 -10.883 8.804 -0.791 1.00 1.22 C ATOM 1261 CE LYS A 65 -11.238 9.554 -2.061 1.00 1.36 C ATOM 1262 NZ LYS A 65 -12.636 9.286 -2.489 1.00 1.82 N ATOM 0 H LYS A 65 -8.717 9.337 3.498 1.00 0.49 H new ATOM 0 HA LYS A 65 -10.977 8.645 1.756 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -8.036 8.415 1.105 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -9.131 7.168 0.540 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -9.361 10.139 -0.072 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -8.771 8.909 -1.171 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -11.005 7.733 -0.955 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -11.575 9.086 0.002 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -11.106 10.624 -1.900 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -10.552 9.265 -2.857 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -12.709 9.390 -3.521 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -12.902 8.318 -2.219 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -13.276 9.963 -2.027 1.00 1.82 H new ATOM 1276 N ASP A 66 -10.007 6.026 2.262 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.261 4.722 2.873 1.00 0.39 C ATOM 1278 C ASP A 66 -10.453 3.678 1.781 1.00 0.43 C ATOM 1279 O ASP A 66 -11.157 3.919 0.803 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.494 4.735 3.799 1.00 0.57 C ATOM 1281 CG ASP A 66 -12.806 4.993 3.074 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -13.528 4.019 2.770 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -13.116 6.171 2.788 1.00 2.12 O ATOM 0 H ASP A 66 -9.814 5.976 1.262 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.396 4.475 3.488 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.558 3.778 4.316 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -11.355 5.501 4.562 1.00 0.57 H new ATOM 1288 N THR A 67 -9.780 2.548 1.921 1.00 0.35 N ATOM 1289 CA THR A 67 -9.973 1.414 1.025 1.00 0.32 C ATOM 1290 C THR A 67 -9.883 0.127 1.830 1.00 0.26 C ATOM 1291 O THR A 67 -9.245 0.103 2.885 1.00 0.30 O ATOM 1292 CB THR A 67 -8.926 1.366 -0.114 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.605 1.284 0.430 1.00 0.38 O ATOM 1294 CG2 THR A 67 -9.028 2.587 -1.016 1.00 0.56 C ATOM 0 H THR A 67 -9.088 2.389 2.653 1.00 0.35 H new ATOM 0 HA THR A 67 -10.954 1.527 0.564 1.00 0.32 H new ATOM 0 HB THR A 67 -9.131 0.478 -0.712 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.948 1.413 -0.286 1.00 0.38 H new ATOM 0 HG21 THR A 67 -8.278 2.520 -1.805 1.00 0.56 H new ATOM 0 HG22 THR A 67 -10.022 2.628 -1.462 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.857 3.489 -0.428 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.508 -0.936 1.353 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.500 -2.193 2.078 1.00 0.23 C ATOM 1304 C HIS A 68 -10.404 -3.366 1.110 1.00 0.22 C ATOM 1305 O HIS A 68 -11.401 -3.794 0.532 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.757 -2.322 2.952 1.00 0.32 C ATOM 1307 CG HIS A 68 -11.744 -3.513 3.873 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -12.652 -3.684 4.896 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -10.932 -4.598 3.914 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -12.398 -4.820 5.523 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -11.359 -5.391 4.942 1.00 1.95 N ATOM 0 H HIS A 68 -11.024 -0.954 0.473 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.626 -2.207 2.729 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.867 -1.416 3.548 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.632 -2.386 2.305 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -10.100 -4.799 3.255 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -12.947 -5.213 6.366 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -10.942 -6.281 5.216 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.198 -3.889 0.956 1.00 0.23 N ATOM 1321 CA HIS A 69 -8.975 -5.074 0.147 1.00 0.26 C ATOM 1322 C HIS A 69 -9.422 -6.296 0.939 1.00 0.29 C ATOM 1323 O HIS A 69 -8.621 -6.930 1.627 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.496 -5.218 -0.230 1.00 0.32 C ATOM 1325 CG HIS A 69 -6.908 -4.033 -0.938 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.566 -3.328 -1.918 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.699 -3.440 -0.804 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -6.786 -2.362 -2.361 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.642 -2.406 -1.704 1.00 0.39 N ATOM 0 H HIS A 69 -8.354 -3.508 1.384 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.549 -4.985 -0.775 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -6.921 -5.403 0.677 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.381 -6.096 -0.865 1.00 0.32 H new ATOM 0 HD1 HIS A 69 -8.511 -3.522 -2.250 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -4.920 -3.728 -0.114 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.041 -1.652 -3.134 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -4.850 -1.778 -1.842 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.709 -6.590 0.874 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.291 -7.667 1.657 1.00 0.37 C ATOM 1340 C LYS A 70 -11.052 -9.040 1.026 1.00 0.31 C ATOM 1341 O LYS A 70 -11.383 -9.268 -0.143 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.782 -7.399 1.849 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.494 -6.987 0.570 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.862 -6.409 0.861 1.00 1.00 C ATOM 1345 CE LYS A 70 -14.760 -5.008 1.445 1.00 1.43 C ATOM 1346 NZ LYS A 70 -16.083 -4.490 1.883 1.00 2.30 N ATOM 0 H LYS A 70 -11.375 -6.094 0.282 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.797 -7.690 2.628 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -13.256 -8.296 2.246 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -12.909 -6.614 2.595 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -12.892 -6.251 0.038 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -13.595 -7.851 -0.087 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.449 -6.380 -0.057 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.392 -7.058 1.558 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -14.075 -5.018 2.293 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -14.335 -4.335 0.700 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -15.969 -3.533 2.275 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -16.729 -4.456 1.069 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -16.477 -5.118 2.612 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.429 -9.917 1.821 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.181 -11.327 1.477 1.00 0.37 C ATOM 1362 C ASP A 71 -9.612 -11.497 0.070 1.00 0.33 C ATOM 1363 O ASP A 71 -10.255 -12.030 -0.833 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.416 -12.229 1.708 1.00 0.51 C ATOM 1365 CG ASP A 71 -12.635 -11.887 0.870 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -12.846 -12.539 -0.172 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -13.363 -10.930 1.219 1.00 2.07 O ATOM 0 H ASP A 71 -10.074 -9.663 2.743 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.413 -11.667 2.172 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -11.134 -13.262 1.505 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -11.693 -12.175 2.761 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.376 -11.063 -0.090 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.650 -11.219 -1.339 1.00 0.30 C ATOM 1374 C TRP A 72 -6.620 -12.326 -1.200 1.00 0.31 C ATOM 1375 O TRP A 72 -6.122 -12.587 -0.108 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.948 -9.914 -1.727 1.00 0.30 C ATOM 1377 CG TRP A 72 -6.071 -9.359 -0.642 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.453 -8.513 0.351 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.670 -9.606 -0.435 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.389 -8.221 1.162 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.284 -8.877 0.701 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.701 -10.370 -1.093 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.981 -8.892 1.187 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.409 -10.371 -0.592 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -2.067 -9.640 0.530 1.00 0.43 C ATOM 0 H TRP A 72 -7.845 -10.592 0.642 1.00 0.29 H new ATOM 0 HA TRP A 72 -8.364 -11.477 -2.121 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -6.344 -10.087 -2.618 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.700 -9.171 -1.991 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.453 -8.126 0.482 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.417 -7.611 1.979 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.954 -10.946 -1.971 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.708 -8.323 2.063 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.651 -10.957 -1.090 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -1.049 -9.667 0.889 1.00 0.43 H new ATOM 1396 N ALA A 73 -6.322 -12.989 -2.295 1.00 0.41 N ATOM 1397 CA ALA A 73 -5.268 -13.982 -2.308 1.00 0.50 C ATOM 1398 C ALA A 73 -4.008 -13.385 -2.904 1.00 0.48 C ATOM 1399 O ALA A 73 -4.075 -12.560 -3.813 1.00 0.42 O ATOM 1400 CB ALA A 73 -5.707 -15.191 -3.112 1.00 0.55 C ATOM 0 H ALA A 73 -6.794 -12.859 -3.190 1.00 0.41 H new ATOM 0 HA ALA A 73 -5.060 -14.298 -1.286 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -4.909 -15.934 -3.117 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -6.601 -15.622 -2.662 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.927 -14.887 -4.135 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.864 -13.740 -2.361 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.609 -13.356 -2.967 1.00 0.67 C ATOM 1408 C LEU A 74 -1.482 -14.023 -4.339 1.00 0.57 C ATOM 1409 O LEU A 74 -1.412 -15.247 -4.442 1.00 0.56 O ATOM 1410 CB LEU A 74 -0.464 -13.747 -2.039 1.00 0.95 C ATOM 1411 CG LEU A 74 0.759 -12.832 -2.075 1.00 0.68 C ATOM 1412 CD1 LEU A 74 1.703 -13.176 -0.935 1.00 1.28 C ATOM 1413 CD2 LEU A 74 1.468 -12.947 -3.414 1.00 1.71 C ATOM 0 H LEU A 74 -2.777 -14.290 -1.507 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.570 -12.277 -3.115 1.00 0.67 H new ATOM 0 HB2 LEU A 74 -0.843 -13.777 -1.017 1.00 0.95 H new ATOM 0 HB3 LEU A 74 -0.146 -14.759 -2.291 1.00 0.95 H new ATOM 0 HG LEU A 74 0.430 -11.800 -1.952 1.00 0.68 H new ATOM 0 HD11 LEU A 74 2.571 -12.518 -0.970 1.00 1.28 H new ATOM 0 HD12 LEU A 74 1.187 -13.046 0.016 1.00 1.28 H new ATOM 0 HD13 LEU A 74 2.029 -14.212 -1.032 1.00 1.28 H new ATOM 0 HD21 LEU A 74 2.337 -12.289 -3.423 1.00 1.71 H new ATOM 0 HD22 LEU A 74 1.791 -13.977 -3.567 1.00 1.71 H new ATOM 0 HD23 LEU A 74 0.785 -12.658 -4.213 1.00 1.71 H new ATOM 1425 N GLY A 75 -1.421 -13.203 -5.377 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.512 -13.702 -6.736 1.00 0.56 C ATOM 1427 C GLY A 75 -2.923 -13.601 -7.290 1.00 0.51 C ATOM 1428 O GLY A 75 -3.277 -14.297 -8.241 1.00 0.59 O ATOM 0 H GLY A 75 -1.309 -12.192 -5.302 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.831 -13.139 -7.375 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -1.187 -14.742 -6.762 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.734 -12.745 -6.676 1.00 0.42 N ATOM 1433 CA GLU A 76 -5.110 -12.537 -7.106 1.00 0.40 C ATOM 1434 C GLU A 76 -5.264 -11.182 -7.791 1.00 0.36 C ATOM 1435 O GLU A 76 -4.503 -10.244 -7.525 1.00 0.47 O ATOM 1436 CB GLU A 76 -6.040 -12.622 -5.892 1.00 0.44 C ATOM 1437 CG GLU A 76 -7.520 -12.463 -6.195 1.00 0.92 C ATOM 1438 CD GLU A 76 -8.080 -13.605 -7.012 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -8.220 -13.447 -8.242 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.389 -14.663 -6.428 1.00 1.59 O ATOM 0 H GLU A 76 -3.458 -12.181 -5.873 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.376 -13.312 -7.824 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.887 -13.585 -5.405 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.748 -11.853 -5.177 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -8.072 -12.389 -5.258 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.677 -11.528 -6.732 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.257 -11.098 -8.665 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.582 -9.872 -9.375 1.00 0.43 C ATOM 1449 C GLU A 77 -8.070 -9.583 -9.204 1.00 0.44 C ATOM 1450 O GLU A 77 -8.915 -10.288 -9.757 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.230 -10.028 -10.857 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.543 -8.806 -11.706 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.196 -9.022 -13.165 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -5.087 -8.625 -13.579 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -7.032 -9.581 -13.906 1.00 0.90 O ATOM 0 H GLU A 77 -6.863 -11.884 -8.902 1.00 0.39 H new ATOM 0 HA GLU A 77 -6.007 -9.039 -8.970 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -5.167 -10.254 -10.944 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -6.772 -10.884 -11.259 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.602 -8.565 -11.618 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -5.988 -7.949 -11.325 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.387 -8.566 -8.424 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.770 -8.266 -8.083 1.00 0.41 C ATOM 1464 C PHE A 78 -10.064 -6.790 -8.305 1.00 0.42 C ATOM 1465 O PHE A 78 -9.149 -5.979 -8.353 1.00 0.42 O ATOM 1466 CB PHE A 78 -10.042 -8.642 -6.620 1.00 0.44 C ATOM 1467 CG PHE A 78 -9.221 -7.878 -5.620 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.957 -8.319 -5.260 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.710 -6.718 -5.041 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -7.198 -7.618 -4.347 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -8.954 -6.014 -4.126 1.00 0.57 C ATOM 1472 CZ PHE A 78 -7.713 -6.471 -3.762 1.00 0.52 C ATOM 0 H PHE A 78 -7.704 -7.930 -8.012 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.424 -8.852 -8.729 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -11.098 -8.478 -6.406 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.852 -9.707 -6.490 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.562 -9.223 -5.700 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -10.693 -6.361 -5.309 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -6.207 -7.961 -4.089 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -9.340 -5.102 -3.696 1.00 0.57 H new ATOM 0 HZ PHE A 78 -7.137 -5.938 -3.020 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.336 -6.449 -8.447 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.722 -5.054 -8.583 1.00 0.51 C ATOM 1484 C GLN A 79 -11.999 -4.468 -7.204 1.00 0.50 C ATOM 1485 O GLN A 79 -12.395 -5.188 -6.284 1.00 0.54 O ATOM 1486 CB GLN A 79 -12.948 -4.911 -9.490 1.00 0.62 C ATOM 1487 CG GLN A 79 -13.231 -3.475 -9.906 1.00 1.00 C ATOM 1488 CD GLN A 79 -14.438 -3.349 -10.811 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -14.323 -3.424 -12.034 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -15.602 -3.153 -10.216 1.00 1.94 N ATOM 0 H GLN A 79 -12.111 -7.112 -8.471 1.00 0.46 H new ATOM 0 HA GLN A 79 -10.903 -4.504 -9.047 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -12.802 -5.518 -10.384 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -13.821 -5.310 -8.973 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -13.387 -2.868 -9.014 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -12.357 -3.071 -10.417 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -15.652 -3.097 -9.199 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -16.450 -3.058 -10.774 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.801 -3.169 -7.071 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.900 -2.505 -5.778 1.00 0.49 C ATOM 1501 C ASP A 80 -12.128 -1.015 -5.999 1.00 0.52 C ATOM 1502 O ASP A 80 -12.086 -0.541 -7.137 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.608 -2.731 -4.980 1.00 0.63 C ATOM 1504 CG ASP A 80 -10.803 -2.664 -3.474 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -10.054 -3.330 -2.734 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -11.719 -1.940 -3.025 1.00 1.26 O ATOM 0 H ASP A 80 -11.569 -2.547 -7.846 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.736 -2.918 -5.214 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -10.195 -3.705 -5.241 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.872 -1.983 -5.276 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.361 -0.282 -4.924 1.00 0.53 N ATOM 1512 CA GLU A 81 -12.518 1.161 -4.998 1.00 0.65 C ATOM 1513 C GLU A 81 -11.389 1.826 -4.234 1.00 0.63 C ATOM 1514 O GLU A 81 -11.357 1.840 -3.003 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.895 1.604 -4.486 1.00 0.81 C ATOM 1516 CG GLU A 81 -14.287 1.016 -3.141 1.00 1.64 C ATOM 1517 CD GLU A 81 -15.683 1.421 -2.720 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -16.579 0.551 -2.693 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -15.891 2.614 -2.419 1.00 1.81 O ATOM 0 H GLU A 81 -12.446 -0.666 -3.983 1.00 0.53 H new ATOM 0 HA GLU A 81 -12.465 1.473 -6.041 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -13.908 2.691 -4.410 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -14.649 1.327 -5.223 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -14.226 -0.071 -3.191 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -13.573 1.340 -2.384 1.00 1.64 H new ATOM 1526 N ALA A 82 -10.452 2.349 -4.995 1.00 0.61 N ATOM 1527 CA ALA A 82 -9.183 2.793 -4.459 1.00 0.67 C ATOM 1528 C ALA A 82 -9.216 4.234 -3.961 1.00 0.60 C ATOM 1529 O ALA A 82 -10.247 4.904 -4.047 1.00 0.59 O ATOM 1530 CB ALA A 82 -8.109 2.609 -5.507 1.00 0.95 C ATOM 0 H ALA A 82 -10.548 2.478 -6.002 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.960 2.181 -3.585 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -7.151 2.942 -5.108 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -8.043 1.556 -5.779 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -8.358 3.197 -6.391 1.00 0.95 H new ATOM 1536 N LEU A 83 -8.080 4.701 -3.435 1.00 0.60 N ATOM 1537 CA LEU A 83 -7.961 6.063 -2.910 1.00 0.58 C ATOM 1538 C LEU A 83 -8.333 7.077 -3.985 1.00 0.59 C ATOM 1539 O LEU A 83 -8.854 8.152 -3.693 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.522 6.355 -2.433 1.00 0.66 C ATOM 1541 CG LEU A 83 -5.988 5.536 -1.243 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -6.965 5.553 -0.079 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -5.654 4.107 -1.653 1.00 1.34 C ATOM 0 H LEU A 83 -7.224 4.151 -3.362 1.00 0.60 H new ATOM 0 HA LEU A 83 -8.642 6.148 -2.063 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -5.850 6.200 -3.277 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -6.463 7.411 -2.168 1.00 0.66 H new ATOM 0 HG LEU A 83 -5.064 6.010 -0.912 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -6.559 4.966 0.745 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -7.122 6.580 0.250 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -7.916 5.125 -0.396 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -5.280 3.558 -0.789 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -6.551 3.618 -2.033 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -4.891 4.121 -2.432 1.00 1.34 H new ATOM 1555 N ASP A 84 -8.086 6.695 -5.227 1.00 0.60 N ATOM 1556 CA ASP A 84 -8.277 7.582 -6.375 1.00 0.67 C ATOM 1557 C ASP A 84 -9.754 7.740 -6.755 1.00 0.69 C ATOM 1558 O ASP A 84 -10.072 8.271 -7.820 1.00 0.78 O ATOM 1559 CB ASP A 84 -7.471 7.075 -7.572 1.00 0.70 C ATOM 1560 CG ASP A 84 -7.877 5.682 -8.008 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -7.197 4.711 -7.624 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -8.884 5.551 -8.736 1.00 1.39 O ATOM 0 H ASP A 84 -7.748 5.765 -5.473 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.916 8.568 -6.084 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.598 7.763 -8.407 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -6.411 7.076 -7.317 1.00 0.70 H new ATOM 1567 N SER A 85 -10.640 7.254 -5.888 1.00 0.67 N ATOM 1568 CA SER A 85 -12.080 7.519 -5.981 1.00 0.74 C ATOM 1569 C SER A 85 -12.774 6.735 -7.099 1.00 0.77 C ATOM 1570 O SER A 85 -13.983 6.874 -7.288 1.00 1.09 O ATOM 1571 CB SER A 85 -12.342 9.020 -6.159 1.00 0.84 C ATOM 1572 OG SER A 85 -11.736 9.772 -5.118 1.00 1.21 O ATOM 0 H SER A 85 -10.382 6.663 -5.098 1.00 0.67 H new ATOM 0 HA SER A 85 -12.510 7.175 -5.040 1.00 0.74 H new ATOM 0 HB2 SER A 85 -11.953 9.348 -7.123 1.00 0.84 H new ATOM 0 HB3 SER A 85 -13.416 9.206 -6.169 1.00 0.84 H new ATOM 0 HG SER A 85 -11.916 10.725 -5.256 1.00 1.21 H new ATOM 1578 N THR A 86 -12.043 5.912 -7.838 1.00 0.67 N ATOM 1579 CA THR A 86 -12.677 5.107 -8.871 1.00 0.67 C ATOM 1580 C THR A 86 -12.473 3.620 -8.624 1.00 0.66 C ATOM 1581 O THR A 86 -11.677 3.215 -7.769 1.00 0.76 O ATOM 1582 CB THR A 86 -12.199 5.471 -10.298 1.00 0.76 C ATOM 1583 OG1 THR A 86 -10.774 5.376 -10.423 1.00 0.86 O ATOM 1584 CG2 THR A 86 -12.657 6.868 -10.677 1.00 0.93 C ATOM 0 H THR A 86 -11.035 5.786 -7.746 1.00 0.67 H new ATOM 0 HA THR A 86 -13.741 5.336 -8.811 1.00 0.67 H new ATOM 0 HB THR A 86 -12.647 4.749 -10.981 1.00 0.76 H new ATOM 0 HG1 THR A 86 -10.384 5.147 -9.554 1.00 0.86 H new ATOM 0 HG21 THR A 86 -12.311 7.104 -11.683 1.00 0.93 H new ATOM 0 HG22 THR A 86 -13.746 6.914 -10.648 1.00 0.93 H new ATOM 0 HG23 THR A 86 -12.244 7.590 -9.972 1.00 0.93 H new ATOM 1592 N GLN A 87 -13.203 2.816 -9.382 1.00 0.68 N ATOM 1593 CA GLN A 87 -13.153 1.372 -9.252 1.00 0.76 C ATOM 1594 C GLN A 87 -12.239 0.824 -10.323 1.00 0.66 C ATOM 1595 O GLN A 87 -12.402 1.164 -11.490 1.00 0.89 O ATOM 1596 CB GLN A 87 -14.546 0.772 -9.451 1.00 1.02 C ATOM 1597 CG GLN A 87 -15.642 1.507 -8.702 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.132 0.762 -7.477 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -15.267 -0.037 -6.876 1.00 1.88 O flip ATOM 1600 NE2 GLN A 87 -17.291 0.897 -7.080 1.00 1.33 N flip ATOM 0 H GLN A 87 -13.845 3.147 -10.102 1.00 0.68 H new ATOM 0 HA GLN A 87 -12.789 1.114 -8.257 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -14.783 0.772 -10.515 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -14.533 -0.269 -9.128 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -15.272 2.487 -8.399 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -16.482 1.677 -9.376 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -17.929 1.524 -7.571 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -17.612 0.382 -6.260 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.271 0.011 -9.943 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.390 -0.604 -10.923 1.00 0.53 C ATOM 1611 C HIS A 88 -9.802 -1.901 -10.409 1.00 0.49 C ATOM 1612 O HIS A 88 -9.937 -2.228 -9.230 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.270 0.347 -11.340 1.00 0.63 C ATOM 1614 CG HIS A 88 -8.570 1.027 -10.208 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -7.690 0.383 -9.364 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -8.628 2.310 -9.787 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.239 1.245 -8.472 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -7.790 2.419 -8.710 1.00 0.97 N ATOM 0 H HIS A 88 -11.074 -0.238 -8.974 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.000 -0.827 -11.798 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -8.535 -0.212 -11.920 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -9.686 1.108 -12.001 1.00 0.63 H new ATOM 0 HD2 HIS A 88 -9.224 3.101 -10.219 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.537 1.026 -7.681 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -7.619 3.272 -8.177 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.141 -2.627 -11.304 1.00 0.49 N ATOM 1628 CA LYS A 89 -8.587 -3.925 -10.969 1.00 0.49 C ATOM 1629 C LYS A 89 -7.298 -3.761 -10.174 1.00 0.45 C ATOM 1630 O LYS A 89 -6.589 -2.757 -10.306 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.347 -4.768 -12.231 1.00 0.61 C ATOM 1632 CG LYS A 89 -7.095 -4.392 -13.008 1.00 1.06 C ATOM 1633 CD LYS A 89 -6.640 -5.522 -13.922 1.00 1.08 C ATOM 1634 CE LYS A 89 -7.681 -5.865 -14.977 1.00 1.15 C ATOM 1635 NZ LYS A 89 -7.759 -4.839 -16.050 1.00 1.49 N ATOM 0 H LYS A 89 -8.978 -2.334 -12.267 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.311 -4.455 -10.350 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -8.281 -5.818 -11.945 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -9.211 -4.670 -12.888 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -7.290 -3.499 -13.602 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -6.295 -4.143 -12.311 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -5.709 -5.237 -14.412 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -6.427 -6.408 -13.323 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -7.441 -6.832 -15.419 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -8.657 -5.965 -14.502 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -8.482 -5.117 -16.744 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -8.014 -3.920 -15.634 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -6.836 -4.761 -16.523 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.025 -4.736 -9.331 1.00 0.38 N ATOM 1650 CA ILE A 90 -5.877 -4.713 -8.447 1.00 0.35 C ATOM 1651 C ILE A 90 -5.283 -6.111 -8.312 1.00 0.34 C ATOM 1652 O ILE A 90 -6.015 -7.092 -8.197 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.287 -4.184 -7.055 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.632 -2.694 -7.136 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.190 -4.438 -6.037 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -7.081 -2.098 -5.825 1.00 0.54 C ATOM 0 H ILE A 90 -7.599 -5.574 -9.239 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.125 -4.049 -8.874 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.175 -4.723 -6.725 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.758 -2.148 -7.492 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.419 -2.553 -7.876 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.501 -4.057 -5.064 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -5.002 -5.509 -5.964 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.278 -3.930 -6.351 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.307 -1.041 -5.964 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -7.974 -2.617 -5.476 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.287 -2.205 -5.086 1.00 0.54 H new ATOM 1668 N THR A 91 -3.960 -6.199 -8.344 1.00 0.30 N ATOM 1669 CA THR A 91 -3.278 -7.477 -8.221 1.00 0.30 C ATOM 1670 C THR A 91 -2.200 -7.428 -7.138 1.00 0.28 C ATOM 1671 O THR A 91 -1.483 -6.434 -7.006 1.00 0.31 O ATOM 1672 CB THR A 91 -2.642 -7.886 -9.563 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.646 -7.930 -10.579 1.00 0.43 O ATOM 1674 CG2 THR A 91 -1.958 -9.242 -9.466 1.00 0.37 C ATOM 0 H THR A 91 -3.338 -5.398 -8.454 1.00 0.30 H new ATOM 0 HA THR A 91 -4.024 -8.219 -7.937 1.00 0.30 H new ATOM 0 HB THR A 91 -1.887 -7.142 -9.817 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.238 -8.189 -11.431 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.520 -9.499 -10.431 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.173 -9.200 -8.711 1.00 0.37 H new ATOM 0 HG23 THR A 91 -2.690 -10.000 -9.187 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.095 -8.508 -6.379 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.057 -8.650 -5.361 1.00 0.33 C ATOM 1684 C PHE A 92 -0.105 -9.757 -5.775 1.00 0.39 C ATOM 1685 O PHE A 92 -0.546 -10.796 -6.255 1.00 0.50 O ATOM 1686 CB PHE A 92 -1.658 -8.989 -3.994 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.340 -7.839 -3.306 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.598 -7.425 -3.703 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.724 -7.187 -2.246 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -4.231 -6.383 -3.059 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -2.355 -6.139 -1.600 1.00 0.46 C ATOM 1692 CZ PHE A 92 -3.610 -5.740 -2.008 1.00 0.52 C ATOM 0 H PHE A 92 -2.722 -9.309 -6.448 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.528 -7.701 -5.275 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -2.377 -9.798 -4.119 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -0.865 -9.364 -3.346 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -4.090 -7.923 -4.526 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.743 -7.501 -1.923 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -5.214 -6.070 -3.378 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -1.866 -5.635 -0.779 1.00 0.46 H new ATOM 0 HZ PHE A 92 -4.107 -4.924 -1.505 1.00 0.52 H new ATOM 1702 N ASP A 93 1.190 -9.544 -5.595 1.00 0.37 N ATOM 1703 CA ASP A 93 2.180 -10.552 -5.963 1.00 0.43 C ATOM 1704 C ASP A 93 3.489 -10.340 -5.217 1.00 0.36 C ATOM 1705 O ASP A 93 3.873 -9.213 -4.927 1.00 0.39 O ATOM 1706 CB ASP A 93 2.437 -10.532 -7.473 1.00 0.58 C ATOM 1707 CG ASP A 93 3.509 -11.520 -7.887 1.00 0.80 C ATOM 1708 OD1 ASP A 93 4.467 -11.111 -8.576 1.00 1.69 O ATOM 1709 OD2 ASP A 93 3.407 -12.710 -7.509 1.00 1.24 O ATOM 0 H ASP A 93 1.581 -8.689 -5.199 1.00 0.37 H new ATOM 0 HA ASP A 93 1.776 -11.525 -5.682 1.00 0.43 H new ATOM 0 HB2 ASP A 93 1.511 -10.762 -8.000 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.735 -9.528 -7.775 1.00 0.58 H new ATOM 1714 N LEU A 94 4.160 -11.433 -4.900 1.00 0.42 N ATOM 1715 CA LEU A 94 5.469 -11.379 -4.269 1.00 0.51 C ATOM 1716 C LEU A 94 6.543 -11.466 -5.341 1.00 0.56 C ATOM 1717 O LEU A 94 6.638 -12.464 -6.062 1.00 0.63 O ATOM 1718 CB LEU A 94 5.627 -12.517 -3.251 1.00 0.61 C ATOM 1719 CG LEU A 94 5.552 -12.112 -1.767 1.00 0.64 C ATOM 1720 CD1 LEU A 94 6.863 -11.509 -1.305 1.00 1.02 C ATOM 1721 CD2 LEU A 94 4.428 -11.120 -1.527 1.00 1.12 C ATOM 0 H LEU A 94 3.817 -12.378 -5.071 1.00 0.42 H new ATOM 0 HA LEU A 94 5.571 -10.436 -3.732 1.00 0.51 H new ATOM 0 HB2 LEU A 94 4.853 -13.260 -3.444 1.00 0.61 H new ATOM 0 HB3 LEU A 94 6.587 -13.004 -3.426 1.00 0.61 H new ATOM 0 HG LEU A 94 5.353 -13.017 -1.193 1.00 0.64 H new ATOM 0 HD11 LEU A 94 6.785 -11.231 -0.254 1.00 1.02 H new ATOM 0 HD12 LEU A 94 7.663 -12.239 -1.429 1.00 1.02 H new ATOM 0 HD13 LEU A 94 7.085 -10.623 -1.899 1.00 1.02 H new ATOM 0 HD21 LEU A 94 4.399 -10.852 -0.471 1.00 1.12 H new ATOM 0 HD22 LEU A 94 4.599 -10.224 -2.124 1.00 1.12 H new ATOM 0 HD23 LEU A 94 3.478 -11.571 -1.813 1.00 1.12 H new ATOM 1733 N LYS A 95 7.336 -10.417 -5.454 1.00 0.58 N ATOM 1734 CA LYS A 95 8.364 -10.341 -6.480 1.00 0.66 C ATOM 1735 C LYS A 95 9.658 -10.905 -5.925 1.00 0.69 C ATOM 1736 O LYS A 95 10.223 -11.862 -6.455 1.00 0.78 O ATOM 1737 CB LYS A 95 8.561 -8.888 -6.920 1.00 0.70 C ATOM 1738 CG LYS A 95 9.495 -8.731 -8.110 1.00 0.91 C ATOM 1739 CD LYS A 95 9.793 -7.267 -8.400 1.00 1.61 C ATOM 1740 CE LYS A 95 8.540 -6.488 -8.783 1.00 2.08 C ATOM 1741 NZ LYS A 95 7.893 -7.025 -10.011 1.00 3.03 N ATOM 0 H LYS A 95 7.289 -9.600 -4.845 1.00 0.58 H new ATOM 0 HA LYS A 95 8.059 -10.923 -7.349 1.00 0.66 H new ATOM 0 HB2 LYS A 95 7.591 -8.459 -7.172 1.00 0.70 H new ATOM 0 HB3 LYS A 95 8.955 -8.314 -6.082 1.00 0.70 H new ATOM 0 HG2 LYS A 95 10.427 -9.261 -7.914 1.00 0.91 H new ATOM 0 HG3 LYS A 95 9.045 -9.192 -8.989 1.00 0.91 H new ATOM 0 HD2 LYS A 95 10.248 -6.810 -7.521 1.00 1.61 H new ATOM 0 HD3 LYS A 95 10.522 -7.200 -9.208 1.00 1.61 H new ATOM 0 HE2 LYS A 95 7.829 -6.519 -7.957 1.00 2.08 H new ATOM 0 HE3 LYS A 95 8.800 -5.441 -8.940 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 7.151 -6.369 -10.328 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 8.606 -7.130 -10.761 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 7.470 -7.952 -9.803 1.00 3.03 H new ATOM 1755 N ASP A 96 10.109 -10.296 -4.845 1.00 0.65 N ATOM 1756 CA ASP A 96 11.243 -10.789 -4.085 1.00 0.70 C ATOM 1757 C ASP A 96 10.708 -11.365 -2.786 1.00 0.65 C ATOM 1758 O ASP A 96 9.563 -11.096 -2.437 1.00 0.60 O ATOM 1759 CB ASP A 96 12.229 -9.652 -3.787 1.00 0.76 C ATOM 1760 CG ASP A 96 12.805 -9.027 -5.040 1.00 1.09 C ATOM 1761 OD1 ASP A 96 12.238 -8.026 -5.527 1.00 1.03 O ATOM 1762 OD2 ASP A 96 13.834 -9.529 -5.540 1.00 1.79 O ATOM 0 H ASP A 96 9.698 -9.442 -4.468 1.00 0.65 H new ATOM 0 HA ASP A 96 11.776 -11.550 -4.656 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.723 -8.883 -3.203 1.00 0.76 H new ATOM 0 HB3 ASP A 96 13.043 -10.036 -3.172 1.00 0.76 H new ATOM 1767 N PRO A 97 11.510 -12.144 -2.039 1.00 0.73 N ATOM 1768 CA PRO A 97 11.062 -12.796 -0.796 1.00 0.76 C ATOM 1769 C PRO A 97 10.796 -11.798 0.332 1.00 0.66 C ATOM 1770 O PRO A 97 10.654 -12.181 1.494 1.00 0.73 O ATOM 1771 CB PRO A 97 12.229 -13.723 -0.427 1.00 0.91 C ATOM 1772 CG PRO A 97 13.086 -13.787 -1.646 1.00 0.98 C ATOM 1773 CD PRO A 97 12.911 -12.467 -2.334 1.00 0.87 C ATOM 0 HA PRO A 97 10.116 -13.318 -0.939 1.00 0.76 H new ATOM 0 HB2 PRO A 97 12.786 -13.333 0.425 1.00 0.91 H new ATOM 0 HB3 PRO A 97 11.870 -14.713 -0.147 1.00 0.91 H new ATOM 0 HG2 PRO A 97 14.130 -13.956 -1.382 1.00 0.98 H new ATOM 0 HG3 PRO A 97 12.784 -14.610 -2.294 1.00 0.98 H new ATOM 0 HD2 PRO A 97 13.593 -11.712 -1.944 1.00 0.87 H new ATOM 0 HD3 PRO A 97 13.095 -12.540 -3.406 1.00 0.87 H new ATOM 1781 N ASN A 98 10.718 -10.529 -0.026 1.00 0.57 N ATOM 1782 CA ASN A 98 10.434 -9.461 0.916 1.00 0.55 C ATOM 1783 C ASN A 98 9.909 -8.240 0.164 1.00 0.46 C ATOM 1784 O ASN A 98 10.046 -7.106 0.624 1.00 0.50 O ATOM 1785 CB ASN A 98 11.675 -9.097 1.747 1.00 0.68 C ATOM 1786 CG ASN A 98 12.838 -8.567 0.922 1.00 1.38 C ATOM 1787 OD1 ASN A 98 13.031 -8.943 -0.235 1.00 2.32 O ATOM 1788 ND2 ASN A 98 13.636 -7.701 1.527 1.00 1.91 N ATOM 0 H ASN A 98 10.851 -10.208 -0.985 1.00 0.57 H new ATOM 0 HA ASN A 98 9.671 -9.809 1.612 1.00 0.55 H new ATOM 0 HB2 ASN A 98 11.397 -8.347 2.488 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.004 -9.980 2.295 1.00 0.68 H new ATOM 0 HD21 ASN A 98 14.444 -7.321 1.034 1.00 1.91 H new ATOM 0 HD22 ASN A 98 13.443 -7.414 2.486 1.00 1.91 H new ATOM 1795 N THR A 99 9.292 -8.494 -0.989 1.00 0.43 N ATOM 1796 CA THR A 99 8.730 -7.432 -1.811 1.00 0.39 C ATOM 1797 C THR A 99 7.377 -7.843 -2.397 1.00 0.33 C ATOM 1798 O THR A 99 7.299 -8.715 -3.267 1.00 0.37 O ATOM 1799 CB THR A 99 9.673 -7.047 -2.967 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.963 -6.679 -2.459 1.00 0.56 O ATOM 1801 CG2 THR A 99 9.092 -5.892 -3.767 1.00 0.51 C ATOM 0 H THR A 99 9.170 -9.431 -1.373 1.00 0.43 H new ATOM 0 HA THR A 99 8.599 -6.570 -1.156 1.00 0.39 H new ATOM 0 HB THR A 99 9.780 -7.913 -3.620 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.552 -6.438 -3.205 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.772 -5.634 -4.579 1.00 0.51 H new ATOM 0 HG22 THR A 99 8.127 -6.185 -4.181 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.960 -5.028 -3.116 1.00 0.51 H new ATOM 1809 N LEU A 100 6.323 -7.209 -1.910 1.00 0.28 N ATOM 1810 CA LEU A 100 4.965 -7.446 -2.392 1.00 0.26 C ATOM 1811 C LEU A 100 4.528 -6.294 -3.293 1.00 0.27 C ATOM 1812 O LEU A 100 4.725 -5.141 -2.952 1.00 0.34 O ATOM 1813 CB LEU A 100 4.019 -7.580 -1.189 1.00 0.28 C ATOM 1814 CG LEU A 100 2.527 -7.376 -1.472 1.00 0.45 C ATOM 1815 CD1 LEU A 100 2.000 -8.438 -2.415 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.740 -7.380 -0.174 1.00 1.10 C ATOM 0 H LEU A 100 6.381 -6.513 -1.167 1.00 0.28 H new ATOM 0 HA LEU A 100 4.934 -8.368 -2.973 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.153 -8.572 -0.758 1.00 0.28 H new ATOM 0 HB3 LEU A 100 4.325 -6.859 -0.431 1.00 0.28 H new ATOM 0 HG LEU A 100 2.403 -6.407 -1.955 1.00 0.45 H new ATOM 0 HD11 LEU A 100 0.939 -8.268 -2.598 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.543 -8.389 -3.359 1.00 1.10 H new ATOM 0 HD13 LEU A 100 2.138 -9.422 -1.968 1.00 1.10 H new ATOM 0 HD21 LEU A 100 0.682 -7.234 -0.390 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.879 -8.335 0.333 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.094 -6.574 0.468 1.00 1.10 H new ATOM 1828 N THR A 101 3.941 -6.590 -4.439 1.00 0.29 N ATOM 1829 CA THR A 101 3.506 -5.545 -5.347 1.00 0.31 C ATOM 1830 C THR A 101 1.990 -5.510 -5.464 1.00 0.30 C ATOM 1831 O THR A 101 1.342 -6.544 -5.638 1.00 0.31 O ATOM 1832 CB THR A 101 4.127 -5.723 -6.744 1.00 0.36 C ATOM 1833 OG1 THR A 101 4.023 -7.092 -7.164 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.583 -5.293 -6.737 1.00 0.41 C ATOM 0 H THR A 101 3.756 -7.540 -4.761 1.00 0.29 H new ATOM 0 HA THR A 101 3.848 -4.598 -4.929 1.00 0.31 H new ATOM 0 HB THR A 101 3.579 -5.094 -7.446 1.00 0.36 H new ATOM 0 HG1 THR A 101 4.420 -7.192 -8.054 1.00 0.36 H new ATOM 0 HG21 THR A 101 6.006 -5.426 -7.733 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.651 -4.244 -6.451 1.00 0.41 H new ATOM 0 HG23 THR A 101 6.138 -5.901 -6.023 1.00 0.41 H new ATOM 1842 N GLU A 102 1.434 -4.315 -5.357 1.00 0.31 N ATOM 1843 CA GLU A 102 0.000 -4.116 -5.500 1.00 0.33 C ATOM 1844 C GLU A 102 -0.275 -3.261 -6.732 1.00 0.35 C ATOM 1845 O GLU A 102 -0.202 -2.029 -6.681 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.580 -3.460 -4.244 1.00 0.39 C ATOM 1847 CG GLU A 102 -2.097 -3.352 -4.246 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.638 -2.621 -3.030 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -2.218 -2.937 -1.906 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.503 -1.732 -3.202 1.00 0.98 O ATOM 0 H GLU A 102 1.959 -3.461 -5.170 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.484 -5.084 -5.626 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.268 -4.033 -3.371 1.00 0.39 H new ATOM 0 HB3 GLU A 102 -0.155 -2.462 -4.139 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -2.418 -2.833 -5.149 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.528 -4.353 -4.284 1.00 0.56 H new ATOM 1857 N THR A 103 -0.583 -3.922 -7.835 1.00 0.36 N ATOM 1858 CA THR A 103 -0.749 -3.251 -9.111 1.00 0.39 C ATOM 1859 C THR A 103 -2.192 -2.797 -9.297 1.00 0.39 C ATOM 1860 O THR A 103 -3.112 -3.614 -9.312 1.00 0.42 O ATOM 1861 CB THR A 103 -0.351 -4.188 -10.265 1.00 0.43 C ATOM 1862 OG1 THR A 103 0.954 -4.725 -10.016 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.361 -3.451 -11.596 1.00 0.46 C ATOM 0 H THR A 103 -0.724 -4.932 -7.871 1.00 0.36 H new ATOM 0 HA THR A 103 -0.100 -2.376 -9.119 1.00 0.39 H new ATOM 0 HB THR A 103 -1.078 -4.998 -10.320 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.207 -5.323 -10.750 1.00 0.51 H new ATOM 0 HG21 THR A 103 -0.076 -4.137 -12.394 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.361 -3.064 -11.790 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.347 -2.623 -11.559 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.386 -1.494 -9.412 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.715 -0.933 -9.590 1.00 0.45 C ATOM 1873 C HIS A 104 -3.939 -0.556 -11.047 1.00 0.40 C ATOM 1874 O HIS A 104 -3.606 0.558 -11.458 1.00 0.48 O ATOM 1875 CB HIS A 104 -3.908 0.320 -8.728 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.396 0.210 -7.329 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -2.610 1.180 -6.741 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -3.588 -0.736 -6.384 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -2.346 0.831 -5.498 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -2.928 -0.324 -5.259 1.00 1.69 N ATOM 0 H HIS A 104 -1.637 -0.802 -9.385 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.433 -1.694 -9.284 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -3.411 1.158 -9.216 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.971 0.557 -8.692 1.00 0.70 H new ATOM 0 HD2 HIS A 104 -4.156 -1.647 -6.496 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -1.753 1.397 -4.795 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -2.893 -0.832 -4.375 1.00 1.69 H new ATOM 1889 N ILE A 105 -4.494 -1.469 -11.825 1.00 0.45 N ATOM 1890 CA ILE A 105 -4.785 -1.175 -13.218 1.00 0.52 C ATOM 1891 C ILE A 105 -6.185 -0.606 -13.366 1.00 0.54 C ATOM 1892 O ILE A 105 -7.186 -1.285 -13.115 1.00 0.55 O ATOM 1893 CB ILE A 105 -4.620 -2.400 -14.134 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.152 -2.824 -14.170 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.134 -2.093 -15.539 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -2.849 -3.855 -15.226 1.00 0.75 C ATOM 0 H ILE A 105 -4.750 -2.409 -11.522 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.053 -0.432 -13.535 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.212 -3.224 -13.735 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -2.532 -1.944 -14.344 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -2.873 -3.222 -13.194 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -5.009 -2.971 -16.172 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.190 -1.828 -15.490 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.570 -1.260 -15.959 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -1.789 -4.108 -15.194 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -3.442 -4.751 -15.041 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.096 -3.453 -16.209 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.238 0.661 -13.729 1.00 0.59 N ATOM 1909 CA LYS A 106 -7.498 1.349 -13.944 1.00 0.63 C ATOM 1910 C LYS A 106 -8.306 0.699 -15.061 1.00 0.67 C ATOM 1911 O LYS A 106 -7.865 0.614 -16.206 1.00 0.70 O ATOM 1912 CB LYS A 106 -7.250 2.831 -14.227 1.00 0.73 C ATOM 1913 CG LYS A 106 -6.619 3.556 -13.047 1.00 0.81 C ATOM 1914 CD LYS A 106 -6.497 5.048 -13.293 1.00 1.05 C ATOM 1915 CE LYS A 106 -5.907 5.758 -12.084 1.00 1.47 C ATOM 1916 NZ LYS A 106 -5.842 7.229 -12.276 1.00 1.61 N ATOM 0 H LYS A 106 -5.413 1.241 -13.883 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.090 1.268 -13.032 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -6.600 2.927 -15.097 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -8.195 3.312 -14.480 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -7.219 3.384 -12.154 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -5.631 3.139 -12.852 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -5.868 5.225 -14.165 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -7.479 5.464 -13.519 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -6.509 5.534 -11.203 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -4.905 5.373 -11.892 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -5.901 7.703 -11.352 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -4.944 7.480 -12.737 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -6.636 7.536 -12.874 1.00 1.61 H new ATOM 1930 N VAL A 107 -9.482 0.208 -14.689 1.00 0.70 N ATOM 1931 CA VAL A 107 -10.379 -0.438 -15.634 1.00 0.78 C ATOM 1932 C VAL A 107 -10.887 0.557 -16.674 1.00 0.86 C ATOM 1933 O VAL A 107 -11.269 0.172 -17.780 1.00 0.92 O ATOM 1934 CB VAL A 107 -11.570 -1.115 -14.945 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -11.105 -2.263 -14.066 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -12.336 -0.102 -14.147 1.00 1.11 C ATOM 0 H VAL A 107 -9.836 0.246 -13.733 1.00 0.70 H new ATOM 0 HA VAL A 107 -9.795 -1.214 -16.129 1.00 0.78 H new ATOM 0 HB VAL A 107 -12.229 -1.531 -15.707 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -11.967 -2.728 -13.588 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -10.587 -3.002 -14.677 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -10.427 -1.884 -13.301 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.181 -0.587 -13.659 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -11.683 0.335 -13.392 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -12.701 0.683 -14.810 1.00 1.11 H new ATOM 1946 N ASP A 108 -10.878 1.840 -16.318 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.347 2.881 -17.221 1.00 1.00 C ATOM 1948 C ASP A 108 -10.247 3.268 -18.206 1.00 0.97 C ATOM 1949 O ASP A 108 -10.517 3.532 -19.380 1.00 1.06 O ATOM 1950 CB ASP A 108 -11.829 4.114 -16.438 1.00 1.05 C ATOM 1951 CG ASP A 108 -10.706 5.003 -15.931 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -10.445 6.053 -16.557 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -10.090 4.665 -14.899 1.00 2.50 O ATOM 0 H ASP A 108 -10.552 2.180 -15.413 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.194 2.486 -17.783 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -12.485 4.704 -17.078 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -12.427 3.782 -15.589 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.007 3.286 -17.732 1.00 0.91 N ATOM 1959 CA ASP A 109 -7.865 3.576 -18.585 1.00 0.92 C ATOM 1960 C ASP A 109 -6.612 2.909 -18.034 1.00 0.84 C ATOM 1961 O ASP A 109 -5.987 3.397 -17.091 1.00 0.85 O ATOM 1962 CB ASP A 109 -7.636 5.080 -18.711 1.00 1.03 C ATOM 1963 CG ASP A 109 -6.591 5.405 -19.757 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -5.386 5.372 -19.436 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -6.973 5.686 -20.916 1.00 1.94 O ATOM 0 H ASP A 109 -8.768 3.102 -16.758 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.080 3.178 -19.577 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -8.574 5.570 -18.971 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -7.323 5.482 -17.747 1.00 1.03 H new ATOM 1970 N PRO A 110 -6.245 1.771 -18.621 1.00 0.80 N ATOM 1971 CA PRO A 110 -5.097 0.976 -18.184 1.00 0.78 C ATOM 1972 C PRO A 110 -3.742 1.583 -18.557 1.00 0.86 C ATOM 1973 O PRO A 110 -2.707 0.936 -18.406 1.00 0.90 O ATOM 1974 CB PRO A 110 -5.306 -0.348 -18.910 1.00 0.80 C ATOM 1975 CG PRO A 110 -6.067 0.007 -20.134 1.00 0.84 C ATOM 1976 CD PRO A 110 -6.954 1.147 -19.746 1.00 0.83 C ATOM 0 HA PRO A 110 -5.058 0.900 -17.097 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -4.354 -0.818 -19.158 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -5.859 -1.055 -18.292 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -5.395 0.292 -20.943 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -6.653 -0.841 -20.490 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.091 1.846 -20.571 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -7.945 0.802 -19.453 1.00 0.83 H new ATOM 1984 N THR A 111 -3.734 2.817 -19.043 1.00 0.93 N ATOM 1985 CA THR A 111 -2.477 3.486 -19.345 1.00 1.05 C ATOM 1986 C THR A 111 -2.235 4.626 -18.373 1.00 0.94 C ATOM 1987 O THR A 111 -1.386 5.491 -18.589 1.00 0.98 O ATOM 1988 CB THR A 111 -2.423 3.990 -20.799 1.00 1.30 C ATOM 1989 OG1 THR A 111 -3.433 4.978 -21.051 1.00 1.33 O ATOM 1990 CG2 THR A 111 -2.613 2.826 -21.746 1.00 1.47 C ATOM 0 H THR A 111 -4.571 3.368 -19.234 1.00 0.93 H new ATOM 0 HA THR A 111 -1.681 2.750 -19.230 1.00 1.05 H new ATOM 0 HB THR A 111 -1.448 4.451 -20.960 1.00 1.30 H new ATOM 0 HG1 THR A 111 -4.175 4.856 -20.422 1.00 1.33 H new ATOM 0 HG21 THR A 111 -2.575 3.184 -22.775 1.00 1.47 H new ATOM 0 HG22 THR A 111 -1.821 2.094 -21.587 1.00 1.47 H new ATOM 0 HG23 THR A 111 -3.581 2.360 -21.560 1.00 1.47 H new ATOM 1998 N ASP A 112 -2.993 4.616 -17.293 1.00 0.86 N ATOM 1999 CA ASP A 112 -2.819 5.584 -16.216 1.00 0.86 C ATOM 2000 C ASP A 112 -2.754 4.842 -14.883 1.00 0.79 C ATOM 2001 O ASP A 112 -3.097 5.369 -13.823 1.00 1.18 O ATOM 2002 CB ASP A 112 -3.970 6.596 -16.223 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.692 7.818 -15.368 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -4.220 7.897 -14.241 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -2.954 8.719 -15.826 1.00 1.40 O ATOM 0 H ASP A 112 -3.743 3.943 -17.134 1.00 0.86 H new ATOM 0 HA ASP A 112 -1.889 6.134 -16.362 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -4.161 6.913 -17.248 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -4.877 6.108 -15.866 1.00 1.05 H new ATOM 2010 N VAL A 113 -2.296 3.600 -14.957 1.00 0.66 N ATOM 2011 CA VAL A 113 -2.252 2.715 -13.806 1.00 0.68 C ATOM 2012 C VAL A 113 -1.159 3.122 -12.829 1.00 0.60 C ATOM 2013 O VAL A 113 -0.436 4.085 -13.067 1.00 0.79 O ATOM 2014 CB VAL A 113 -2.011 1.264 -14.251 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -3.053 0.849 -15.265 1.00 1.60 C ATOM 2016 CG2 VAL A 113 -0.614 1.095 -14.825 1.00 1.23 C ATOM 0 H VAL A 113 -1.945 3.180 -15.817 1.00 0.66 H new ATOM 0 HA VAL A 113 -3.216 2.792 -13.304 1.00 0.68 H new ATOM 0 HB VAL A 113 -2.095 0.620 -13.376 1.00 0.86 H new ATOM 0 HG11 VAL A 113 -2.872 -0.181 -15.573 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -4.045 0.925 -14.819 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -2.995 1.503 -16.135 1.00 1.60 H new ATOM 0 HG21 VAL A 113 -0.470 0.059 -15.132 1.00 1.23 H new ATOM 0 HG22 VAL A 113 -0.494 1.750 -15.688 1.00 1.23 H new ATOM 0 HG23 VAL A 113 0.125 1.355 -14.067 1.00 1.23 H new ATOM 2026 N GLU A 114 -1.053 2.390 -11.731 1.00 0.45 N ATOM 2027 CA GLU A 114 -0.003 2.629 -10.753 1.00 0.47 C ATOM 2028 C GLU A 114 0.161 1.414 -9.852 1.00 0.44 C ATOM 2029 O GLU A 114 -0.789 0.664 -9.632 1.00 0.48 O ATOM 2030 CB GLU A 114 -0.321 3.871 -9.914 1.00 0.64 C ATOM 2031 CG GLU A 114 0.809 4.287 -8.984 1.00 0.96 C ATOM 2032 CD GLU A 114 2.133 4.436 -9.699 1.00 1.94 C ATOM 2033 OE1 GLU A 114 2.839 3.420 -9.872 1.00 2.78 O ATOM 2034 OE2 GLU A 114 2.470 5.571 -10.080 1.00 2.10 O ATOM 0 H GLU A 114 -1.683 1.624 -11.494 1.00 0.45 H new ATOM 0 HA GLU A 114 0.932 2.802 -11.285 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -0.553 4.700 -10.582 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -1.215 3.679 -9.321 1.00 0.64 H new ATOM 0 HG2 GLU A 114 0.551 5.232 -8.507 1.00 0.96 H new ATOM 0 HG3 GLU A 114 0.911 3.547 -8.191 1.00 0.96 H new ATOM 2041 N THR A 115 1.355 1.238 -9.320 1.00 0.45 N ATOM 2042 CA THR A 115 1.663 0.087 -8.500 1.00 0.45 C ATOM 2043 C THR A 115 2.345 0.511 -7.202 1.00 0.44 C ATOM 2044 O THR A 115 3.297 1.289 -7.206 1.00 0.51 O ATOM 2045 CB THR A 115 2.564 -0.904 -9.265 1.00 0.49 C ATOM 2046 OG1 THR A 115 1.908 -1.317 -10.471 1.00 0.53 O ATOM 2047 CG2 THR A 115 2.889 -2.130 -8.420 1.00 0.53 C ATOM 0 H THR A 115 2.133 1.886 -9.444 1.00 0.45 H new ATOM 0 HA THR A 115 0.723 -0.408 -8.256 1.00 0.45 H new ATOM 0 HB THR A 115 3.499 -0.396 -9.501 1.00 0.49 H new ATOM 0 HG1 THR A 115 2.482 -1.945 -10.957 1.00 0.53 H new ATOM 0 HG21 THR A 115 3.525 -2.807 -8.990 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.409 -1.820 -7.514 1.00 0.53 H new ATOM 0 HG23 THR A 115 1.965 -2.642 -8.151 1.00 0.53 H new ATOM 2055 N TYR A 116 1.832 0.003 -6.099 1.00 0.41 N ATOM 2056 CA TYR A 116 2.443 0.219 -4.797 1.00 0.43 C ATOM 2057 C TYR A 116 3.339 -0.971 -4.510 1.00 0.38 C ATOM 2058 O TYR A 116 2.996 -2.089 -4.893 1.00 0.39 O ATOM 2059 CB TYR A 116 1.376 0.347 -3.706 1.00 0.54 C ATOM 2060 CG TYR A 116 0.554 1.622 -3.753 1.00 0.57 C ATOM 2061 CD1 TYR A 116 0.683 2.538 -4.793 1.00 0.79 C ATOM 2062 CD2 TYR A 116 -0.359 1.905 -2.743 1.00 0.80 C ATOM 2063 CE1 TYR A 116 -0.074 3.693 -4.821 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -1.117 3.057 -2.765 1.00 0.91 C ATOM 2065 CZ TYR A 116 -0.972 3.949 -3.804 1.00 0.80 C ATOM 2066 OH TYR A 116 -1.731 5.095 -3.832 1.00 0.96 O ATOM 0 H TYR A 116 0.987 -0.567 -6.076 1.00 0.41 H new ATOM 0 HA TYR A 116 3.017 1.146 -4.804 1.00 0.43 H new ATOM 0 HB2 TYR A 116 0.700 -0.505 -3.779 1.00 0.54 H new ATOM 0 HB3 TYR A 116 1.864 0.284 -2.733 1.00 0.54 H new ATOM 0 HD1 TYR A 116 1.385 2.343 -5.590 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -0.477 1.209 -1.925 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.036 4.393 -5.636 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -1.821 3.259 -1.971 1.00 0.91 H new ATOM 0 HH TYR A 116 -2.312 5.122 -3.043 1.00 0.96 H new ATOM 2076 N GLU A 117 4.472 -0.777 -3.850 1.00 0.37 N ATOM 2077 CA GLU A 117 5.395 -1.876 -3.643 1.00 0.35 C ATOM 2078 C GLU A 117 5.767 -1.950 -2.163 1.00 0.34 C ATOM 2079 O GLU A 117 6.290 -0.994 -1.600 1.00 0.44 O ATOM 2080 CB GLU A 117 6.636 -1.670 -4.513 1.00 0.44 C ATOM 2081 CG GLU A 117 7.658 -2.787 -4.418 1.00 0.92 C ATOM 2082 CD GLU A 117 8.816 -2.589 -5.372 1.00 0.83 C ATOM 2083 OE1 GLU A 117 9.850 -2.029 -4.957 1.00 1.27 O ATOM 2084 OE2 GLU A 117 8.695 -2.991 -6.551 1.00 1.18 O ATOM 0 H GLU A 117 4.768 0.116 -3.456 1.00 0.37 H new ATOM 0 HA GLU A 117 4.928 -2.818 -3.930 1.00 0.35 H new ATOM 0 HB2 GLU A 117 6.324 -1.567 -5.552 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.113 -0.732 -4.229 1.00 0.44 H new ATOM 0 HG2 GLU A 117 8.037 -2.844 -3.397 1.00 0.92 H new ATOM 0 HG3 GLU A 117 7.173 -3.739 -4.632 1.00 0.92 H new ATOM 2091 N TYR A 118 5.467 -3.078 -1.543 1.00 0.29 N ATOM 2092 CA TYR A 118 5.669 -3.272 -0.115 1.00 0.29 C ATOM 2093 C TYR A 118 6.987 -3.985 0.148 1.00 0.31 C ATOM 2094 O TYR A 118 7.123 -5.177 -0.130 1.00 0.41 O ATOM 2095 CB TYR A 118 4.515 -4.093 0.477 1.00 0.32 C ATOM 2096 CG TYR A 118 3.157 -3.467 0.268 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.585 -2.641 1.231 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.437 -3.706 -0.891 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.347 -2.087 1.039 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.196 -3.148 -1.087 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.681 -2.297 -0.115 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.567 -1.789 -0.295 1.00 0.60 O ATOM 0 H TYR A 118 5.074 -3.891 -2.018 1.00 0.29 H new ATOM 0 HA TYR A 118 5.696 -2.292 0.361 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.520 -5.087 0.029 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.685 -4.224 1.546 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.125 -2.434 2.143 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.858 -4.343 -1.655 1.00 0.47 H new ATOM 0 HE1 TYR A 118 0.903 -1.480 1.814 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.631 -3.367 -1.981 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.952 -2.151 -1.121 1.00 0.60 H new ATOM 2112 N ARG A 119 7.948 -3.252 0.676 1.00 0.31 N ATOM 2113 CA ARG A 119 9.243 -3.816 1.011 1.00 0.35 C ATOM 2114 C ARG A 119 9.513 -3.643 2.503 1.00 0.35 C ATOM 2115 O ARG A 119 8.995 -2.723 3.130 1.00 0.42 O ATOM 2116 CB ARG A 119 10.338 -3.143 0.179 1.00 0.46 C ATOM 2117 CG ARG A 119 11.711 -3.763 0.362 1.00 1.14 C ATOM 2118 CD ARG A 119 12.732 -3.147 -0.577 1.00 1.30 C ATOM 2119 NE ARG A 119 14.061 -3.717 -0.376 1.00 1.83 N ATOM 2120 CZ ARG A 119 14.823 -4.205 -1.350 1.00 2.50 C ATOM 2121 NH1 ARG A 119 14.410 -4.169 -2.612 1.00 2.76 N ATOM 2122 NH2 ARG A 119 16.010 -4.720 -1.059 1.00 3.41 N ATOM 0 H ARG A 119 7.856 -2.258 0.884 1.00 0.31 H new ATOM 0 HA ARG A 119 9.243 -4.881 0.781 1.00 0.35 H new ATOM 0 HB2 ARG A 119 10.064 -3.193 -0.875 1.00 0.46 H new ATOM 0 HB3 ARG A 119 10.387 -2.087 0.446 1.00 0.46 H new ATOM 0 HG2 ARG A 119 12.037 -3.629 1.393 1.00 1.14 H new ATOM 0 HG3 ARG A 119 11.653 -4.837 0.183 1.00 1.14 H new ATOM 0 HD2 ARG A 119 12.420 -3.306 -1.609 1.00 1.30 H new ATOM 0 HD3 ARG A 119 12.770 -2.069 -0.418 1.00 1.30 H new ATOM 0 HE ARG A 119 14.429 -3.743 0.575 1.00 1.83 H new ATOM 0 HH11 ARG A 119 13.502 -3.765 -2.840 1.00 2.76 H new ATOM 0 HH12 ARG A 119 15.001 -4.546 -3.353 1.00 2.76 H new ATOM 0 HH21 ARG A 119 16.334 -4.740 -0.092 1.00 3.41 H new ATOM 0 HH22 ARG A 119 16.599 -5.096 -1.802 1.00 3.41 H new ATOM 2136 N ARG A 120 10.302 -4.532 3.077 1.00 0.36 N ATOM 2137 CA ARG A 120 10.609 -4.464 4.497 1.00 0.41 C ATOM 2138 C ARG A 120 11.955 -3.798 4.739 1.00 0.46 C ATOM 2139 O ARG A 120 12.919 -4.037 4.010 1.00 0.63 O ATOM 2140 CB ARG A 120 10.600 -5.861 5.116 1.00 0.49 C ATOM 2141 CG ARG A 120 9.205 -6.397 5.390 1.00 1.06 C ATOM 2142 CD ARG A 120 8.539 -5.656 6.540 1.00 0.97 C ATOM 2143 NE ARG A 120 9.237 -5.871 7.808 1.00 1.27 N ATOM 2144 CZ ARG A 120 8.740 -5.542 9.001 1.00 1.56 C ATOM 2145 NH1 ARG A 120 7.551 -4.954 9.093 1.00 1.62 N ATOM 2146 NH2 ARG A 120 9.428 -5.805 10.103 1.00 1.96 N ATOM 0 H ARG A 120 10.742 -5.309 2.584 1.00 0.36 H new ATOM 0 HA ARG A 120 9.837 -3.859 4.973 1.00 0.41 H new ATOM 0 HB2 ARG A 120 11.119 -6.548 4.448 1.00 0.49 H new ATOM 0 HB3 ARG A 120 11.161 -5.839 6.050 1.00 0.49 H new ATOM 0 HG2 ARG A 120 8.594 -6.301 4.492 1.00 1.06 H new ATOM 0 HG3 ARG A 120 9.262 -7.460 5.625 1.00 1.06 H new ATOM 0 HD2 ARG A 120 8.513 -4.589 6.317 1.00 0.97 H new ATOM 0 HD3 ARG A 120 7.505 -5.988 6.635 1.00 0.97 H new ATOM 0 HE ARG A 120 10.162 -6.300 7.777 1.00 1.27 H new ATOM 0 HH11 ARG A 120 7.015 -4.753 8.249 1.00 1.62 H new ATOM 0 HH12 ARG A 120 7.175 -4.704 10.008 1.00 1.62 H new ATOM 0 HH21 ARG A 120 10.339 -6.260 10.039 1.00 1.96 H new ATOM 0 HH22 ARG A 120 9.047 -5.553 11.015 1.00 1.96 H new ATOM 2160 N ASP A 121 12.011 -2.955 5.759 1.00 0.49 N ATOM 2161 CA ASP A 121 13.250 -2.301 6.148 1.00 0.59 C ATOM 2162 C ASP A 121 13.464 -2.464 7.641 1.00 0.66 C ATOM 2163 O ASP A 121 13.023 -1.633 8.438 1.00 1.08 O ATOM 2164 CB ASP A 121 13.220 -0.817 5.780 1.00 0.67 C ATOM 2165 CG ASP A 121 14.588 -0.174 5.883 1.00 0.82 C ATOM 2166 OD1 ASP A 121 15.402 -0.362 4.956 1.00 0.96 O ATOM 2167 OD2 ASP A 121 14.856 0.528 6.882 1.00 0.88 O ATOM 0 H ASP A 121 11.207 -2.707 6.335 1.00 0.49 H new ATOM 0 HA ASP A 121 14.075 -2.768 5.610 1.00 0.59 H new ATOM 0 HB2 ASP A 121 12.843 -0.704 4.764 1.00 0.67 H new ATOM 0 HB3 ASP A 121 12.525 -0.295 6.438 1.00 0.67 H new ATOM 2172 N GLY A 122 14.124 -3.551 8.014 1.00 0.73 N ATOM 2173 CA GLY A 122 14.320 -3.859 9.415 1.00 0.83 C ATOM 2174 C GLY A 122 13.016 -4.222 10.094 1.00 0.78 C ATOM 2175 O GLY A 122 12.570 -5.369 10.031 1.00 0.92 O ATOM 0 H GLY A 122 14.529 -4.228 7.367 1.00 0.73 H new ATOM 0 HA2 GLY A 122 15.023 -4.686 9.511 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.766 -3.001 9.918 1.00 0.83 H new ATOM 2179 N ASP A 123 12.394 -3.240 10.729 1.00 0.70 N ATOM 2180 CA ASP A 123 11.107 -3.447 11.378 1.00 0.78 C ATOM 2181 C ASP A 123 10.041 -2.553 10.756 1.00 0.64 C ATOM 2182 O ASP A 123 8.866 -2.616 11.124 1.00 0.75 O ATOM 2183 CB ASP A 123 11.203 -3.179 12.883 1.00 0.98 C ATOM 2184 CG ASP A 123 11.426 -1.718 13.217 1.00 1.67 C ATOM 2185 OD1 ASP A 123 10.454 -1.040 13.617 1.00 2.17 O ATOM 2186 OD2 ASP A 123 12.569 -1.236 13.063 1.00 2.31 O ATOM 0 H ASP A 123 12.759 -2.291 10.809 1.00 0.70 H new ATOM 0 HA ASP A 123 10.822 -4.489 11.230 1.00 0.78 H new ATOM 0 HB2 ASP A 123 10.287 -3.519 13.365 1.00 0.98 H new ATOM 0 HB3 ASP A 123 12.020 -3.769 13.299 1.00 0.98 H new ATOM 2191 N TYR A 124 10.453 -1.735 9.796 1.00 0.48 N ATOM 2192 CA TYR A 124 9.546 -0.808 9.136 1.00 0.36 C ATOM 2193 C TYR A 124 9.030 -1.392 7.833 1.00 0.33 C ATOM 2194 O TYR A 124 9.753 -2.103 7.130 1.00 0.39 O ATOM 2195 CB TYR A 124 10.246 0.525 8.854 1.00 0.32 C ATOM 2196 CG TYR A 124 10.363 1.423 10.063 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.208 1.092 11.116 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.637 2.600 10.151 1.00 0.49 C ATOM 2199 CE1 TYR A 124 11.323 1.913 12.221 1.00 0.53 C ATOM 2200 CE2 TYR A 124 9.747 3.426 11.250 1.00 0.58 C ATOM 2201 CZ TYR A 124 10.559 3.071 12.292 1.00 0.56 C ATOM 2202 OH TYR A 124 10.711 3.902 13.378 1.00 0.67 O ATOM 0 H TYR A 124 11.414 -1.696 9.457 1.00 0.48 H new ATOM 0 HA TYR A 124 8.704 -0.636 9.806 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.244 0.325 8.465 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.699 1.053 8.073 1.00 0.32 H new ATOM 0 HD1 TYR A 124 11.783 0.179 11.069 1.00 0.46 H new ATOM 0 HD2 TYR A 124 8.973 2.875 9.345 1.00 0.49 H new ATOM 0 HE1 TYR A 124 12.001 1.657 13.022 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.193 4.352 11.288 1.00 0.58 H new ATOM 0 HH TYR A 124 10.111 4.672 13.287 1.00 0.67 H new ATOM 2212 N LEU A 125 7.778 -1.107 7.526 1.00 0.30 N ATOM 2213 CA LEU A 125 7.202 -1.459 6.247 1.00 0.30 C ATOM 2214 C LEU A 125 7.361 -0.260 5.320 1.00 0.27 C ATOM 2215 O LEU A 125 6.845 0.817 5.596 1.00 0.31 O ATOM 2216 CB LEU A 125 5.721 -1.851 6.448 1.00 0.36 C ATOM 2217 CG LEU A 125 4.931 -2.334 5.217 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.288 -1.169 4.475 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.823 -3.134 4.279 1.00 0.88 C ATOM 0 H LEU A 125 7.136 -0.626 8.156 1.00 0.30 H new ATOM 0 HA LEU A 125 7.705 -2.316 5.799 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.682 -2.639 7.200 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.200 -0.988 6.863 1.00 0.36 H new ATOM 0 HG LEU A 125 4.133 -2.985 5.575 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.739 -1.546 3.612 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.602 -0.647 5.142 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.063 -0.480 4.139 1.00 1.03 H new ATOM 0 HD21 LEU A 125 5.242 -3.464 3.418 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.649 -2.509 3.941 1.00 0.88 H new ATOM 0 HD23 LEU A 125 6.217 -4.003 4.805 1.00 0.88 H new ATOM 2231 N VAL A 126 8.086 -0.439 4.235 1.00 0.29 N ATOM 2232 CA VAL A 126 8.415 0.671 3.364 1.00 0.34 C ATOM 2233 C VAL A 126 7.807 0.448 1.996 1.00 0.36 C ATOM 2234 O VAL A 126 7.954 -0.617 1.401 1.00 0.43 O ATOM 2235 CB VAL A 126 9.940 0.878 3.234 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.252 2.067 2.331 1.00 0.46 C ATOM 2237 CG2 VAL A 126 10.569 1.069 4.606 1.00 0.47 C ATOM 0 H VAL A 126 8.458 -1.340 3.935 1.00 0.29 H new ATOM 0 HA VAL A 126 8.000 1.574 3.812 1.00 0.34 H new ATOM 0 HB VAL A 126 10.368 -0.015 2.778 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.332 2.193 2.255 1.00 0.46 H new ATOM 0 HG12 VAL A 126 9.837 1.889 1.339 1.00 0.46 H new ATOM 0 HG13 VAL A 126 9.811 2.970 2.753 1.00 0.46 H new ATOM 0 HG21 VAL A 126 11.644 1.214 4.497 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.132 1.944 5.088 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.382 0.187 5.218 1.00 0.47 H new ATOM 2247 N MET A 127 7.108 1.447 1.513 1.00 0.38 N ATOM 2248 CA MET A 127 6.458 1.349 0.230 1.00 0.46 C ATOM 2249 C MET A 127 7.229 2.115 -0.824 1.00 0.33 C ATOM 2250 O MET A 127 7.721 3.218 -0.576 1.00 0.33 O ATOM 2251 CB MET A 127 5.022 1.854 0.317 1.00 0.65 C ATOM 2252 CG MET A 127 4.409 2.175 -1.035 1.00 0.87 C ATOM 2253 SD MET A 127 2.633 2.420 -0.944 1.00 1.08 S ATOM 2254 CE MET A 127 2.136 0.802 -0.376 1.00 0.66 C ATOM 0 H MET A 127 6.975 2.338 1.991 1.00 0.38 H new ATOM 0 HA MET A 127 6.437 0.299 -0.061 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.410 1.102 0.815 1.00 0.65 H new ATOM 0 HB3 MET A 127 4.997 2.748 0.940 1.00 0.65 H new ATOM 0 HG2 MET A 127 4.876 3.074 -1.438 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.625 1.364 -1.730 1.00 0.87 H new ATOM 0 HE1 MET A 127 1.137 0.576 -0.750 1.00 0.66 H new ATOM 0 HE2 MET A 127 2.839 0.055 -0.745 1.00 0.66 H new ATOM 0 HE3 MET A 127 2.128 0.786 0.714 1.00 0.66 H new ATOM 2264 N LYS A 128 7.330 1.523 -1.996 1.00 0.33 N ATOM 2265 CA LYS A 128 7.943 2.177 -3.127 1.00 0.35 C ATOM 2266 C LYS A 128 6.875 2.545 -4.136 1.00 0.35 C ATOM 2267 O LYS A 128 6.013 1.726 -4.475 1.00 0.44 O ATOM 2268 CB LYS A 128 9.004 1.283 -3.773 1.00 0.55 C ATOM 2269 CG LYS A 128 10.378 1.399 -3.136 1.00 0.82 C ATOM 2270 CD LYS A 128 10.950 2.797 -3.315 1.00 0.99 C ATOM 2271 CE LYS A 128 12.387 2.888 -2.826 1.00 1.42 C ATOM 2272 NZ LYS A 128 13.285 1.936 -3.533 1.00 2.20 N ATOM 0 H LYS A 128 6.991 0.580 -2.188 1.00 0.33 H new ATOM 0 HA LYS A 128 8.441 3.082 -2.780 1.00 0.35 H new ATOM 0 HB2 LYS A 128 8.674 0.246 -3.716 1.00 0.55 H new ATOM 0 HB3 LYS A 128 9.082 1.535 -4.831 1.00 0.55 H new ATOM 0 HG2 LYS A 128 10.310 1.164 -2.074 1.00 0.82 H new ATOM 0 HG3 LYS A 128 11.052 0.667 -3.582 1.00 0.82 H new ATOM 0 HD2 LYS A 128 10.906 3.075 -4.368 1.00 0.99 H new ATOM 0 HD3 LYS A 128 10.335 3.513 -2.770 1.00 0.99 H new ATOM 0 HE2 LYS A 128 12.754 3.904 -2.969 1.00 1.42 H new ATOM 0 HE3 LYS A 128 12.418 2.686 -1.755 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 14.157 2.427 -3.817 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 13.523 1.147 -2.899 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 12.804 1.568 -4.378 1.00 2.20 H new ATOM 2286 N MET A 129 6.905 3.796 -4.555 1.00 0.36 N ATOM 2287 CA MET A 129 6.016 4.297 -5.588 1.00 0.41 C ATOM 2288 C MET A 129 6.857 5.063 -6.596 1.00 0.35 C ATOM 2289 O MET A 129 7.637 5.932 -6.215 1.00 0.40 O ATOM 2290 CB MET A 129 4.948 5.208 -4.971 1.00 0.49 C ATOM 2291 CG MET A 129 4.121 4.525 -3.890 1.00 1.02 C ATOM 2292 SD MET A 129 3.236 5.686 -2.831 1.00 1.11 S ATOM 2293 CE MET A 129 2.103 6.428 -3.999 1.00 0.50 C ATOM 0 H MET A 129 7.549 4.497 -4.188 1.00 0.36 H new ATOM 0 HA MET A 129 5.502 3.472 -6.082 1.00 0.41 H new ATOM 0 HB2 MET A 129 5.432 6.087 -4.546 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.282 5.560 -5.759 1.00 0.49 H new ATOM 0 HG2 MET A 129 3.403 3.853 -4.361 1.00 1.02 H new ATOM 0 HG3 MET A 129 4.777 3.910 -3.274 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.184 7.514 -3.945 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.350 6.096 -5.007 1.00 0.50 H new ATOM 0 HE3 MET A 129 1.083 6.127 -3.758 1.00 0.50 H new ATOM 2303 N SER A 130 6.735 4.730 -7.867 1.00 0.34 N ATOM 2304 CA SER A 130 7.621 5.293 -8.871 1.00 0.33 C ATOM 2305 C SER A 130 6.886 5.638 -10.156 1.00 0.33 C ATOM 2306 O SER A 130 6.152 4.816 -10.709 1.00 0.38 O ATOM 2307 CB SER A 130 8.750 4.309 -9.157 1.00 0.39 C ATOM 2308 OG SER A 130 8.247 2.988 -9.300 1.00 1.06 O ATOM 0 H SER A 130 6.038 4.079 -8.228 1.00 0.34 H new ATOM 0 HA SER A 130 8.029 6.224 -8.476 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.273 4.604 -10.067 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.478 4.339 -8.347 1.00 0.39 H new ATOM 0 HG SER A 130 7.375 3.016 -9.747 1.00 1.06 H new ATOM 2314 N TRP A 131 7.099 6.857 -10.623 1.00 0.32 N ATOM 2315 CA TRP A 131 6.491 7.324 -11.857 1.00 0.34 C ATOM 2316 C TRP A 131 7.433 8.271 -12.576 1.00 0.34 C ATOM 2317 O TRP A 131 7.970 9.195 -11.969 1.00 0.33 O ATOM 2318 CB TRP A 131 5.174 8.035 -11.560 1.00 0.36 C ATOM 2319 CG TRP A 131 4.243 8.079 -12.730 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.928 9.163 -13.490 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.506 6.981 -13.272 1.00 0.47 C ATOM 2322 NE1 TRP A 131 3.032 8.808 -14.467 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.763 7.473 -14.358 1.00 0.54 C ATOM 2324 CE3 TRP A 131 3.402 5.629 -12.943 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 1.930 6.660 -15.119 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.575 4.822 -13.696 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.848 5.339 -14.776 1.00 0.76 C ATOM 0 H TRP A 131 7.693 7.546 -10.162 1.00 0.32 H new ATOM 0 HA TRP A 131 6.293 6.463 -12.495 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.678 7.532 -10.730 1.00 0.36 H new ATOM 0 HB3 TRP A 131 5.385 9.054 -11.235 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.325 10.157 -13.345 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.632 9.439 -15.162 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.960 5.221 -12.113 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 1.368 7.058 -15.951 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 2.486 3.774 -13.449 1.00 0.73 H new ATOM 0 HH2 TRP A 131 1.211 4.682 -15.349 1.00 0.76 H new ATOM 2338 N LYS A 132 7.628 8.026 -13.866 1.00 0.37 N ATOM 2339 CA LYS A 132 8.517 8.834 -14.697 1.00 0.40 C ATOM 2340 C LYS A 132 9.899 8.988 -14.060 1.00 0.39 C ATOM 2341 O LYS A 132 10.470 10.081 -14.032 1.00 0.42 O ATOM 2342 CB LYS A 132 7.891 10.200 -14.991 1.00 0.44 C ATOM 2343 CG LYS A 132 6.685 10.121 -15.915 1.00 0.68 C ATOM 2344 CD LYS A 132 6.083 11.490 -16.184 1.00 1.22 C ATOM 2345 CE LYS A 132 5.020 11.426 -17.274 1.00 1.43 C ATOM 2346 NZ LYS A 132 3.929 10.475 -16.937 1.00 1.96 N ATOM 0 H LYS A 132 7.175 7.262 -14.367 1.00 0.37 H new ATOM 0 HA LYS A 132 8.653 8.310 -15.643 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.591 10.665 -14.052 1.00 0.44 H new ATOM 0 HB3 LYS A 132 8.643 10.848 -15.441 1.00 0.44 H new ATOM 0 HG2 LYS A 132 6.981 9.663 -16.859 1.00 0.68 H new ATOM 0 HG3 LYS A 132 5.929 9.474 -15.470 1.00 0.68 H new ATOM 0 HD2 LYS A 132 5.643 11.882 -15.267 1.00 1.22 H new ATOM 0 HD3 LYS A 132 6.870 12.183 -16.481 1.00 1.22 H new ATOM 0 HE2 LYS A 132 4.599 12.420 -17.428 1.00 1.43 H new ATOM 0 HE3 LYS A 132 5.483 11.127 -18.214 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 4.046 9.602 -17.490 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 3.966 10.250 -15.922 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 3.010 10.907 -17.162 1.00 1.96 H new ATOM 2360 N GLY A 133 10.418 7.882 -13.539 1.00 0.40 N ATOM 2361 CA GLY A 133 11.744 7.878 -12.950 1.00 0.42 C ATOM 2362 C GLY A 133 11.772 8.416 -11.532 1.00 0.40 C ATOM 2363 O GLY A 133 12.810 8.370 -10.868 1.00 0.53 O ATOM 0 H GLY A 133 9.940 6.981 -13.514 1.00 0.40 H new ATOM 0 HA2 GLY A 133 12.132 6.859 -12.953 1.00 0.42 H new ATOM 0 HA3 GLY A 133 12.412 8.475 -13.571 1.00 0.42 H new ATOM 2367 N VAL A 134 10.645 8.930 -11.062 1.00 0.35 N ATOM 2368 CA VAL A 134 10.573 9.486 -9.721 1.00 0.34 C ATOM 2369 C VAL A 134 10.093 8.435 -8.735 1.00 0.36 C ATOM 2370 O VAL A 134 8.915 8.076 -8.723 1.00 0.40 O ATOM 2371 CB VAL A 134 9.621 10.693 -9.634 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.868 11.455 -8.345 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.761 11.602 -10.845 1.00 0.43 C ATOM 0 H VAL A 134 9.772 8.973 -11.587 1.00 0.35 H new ATOM 0 HA VAL A 134 11.582 9.817 -9.474 1.00 0.34 H new ATOM 0 HB VAL A 134 8.596 10.322 -9.630 1.00 0.38 H new ATOM 0 HG11 VAL A 134 9.191 12.307 -8.291 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.692 10.797 -7.494 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.899 11.809 -8.323 1.00 0.38 H new ATOM 0 HG21 VAL A 134 9.074 12.443 -10.750 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.784 11.974 -10.905 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.525 11.042 -11.750 1.00 0.43 H new ATOM 2383 N SER A 135 11.005 7.925 -7.929 1.00 0.38 N ATOM 2384 CA SER A 135 10.661 6.973 -6.908 1.00 0.42 C ATOM 2385 C SER A 135 10.549 7.662 -5.557 1.00 0.40 C ATOM 2386 O SER A 135 11.427 8.427 -5.157 1.00 0.51 O ATOM 2387 CB SER A 135 11.727 5.901 -6.833 1.00 0.50 C ATOM 2388 OG SER A 135 12.384 5.737 -8.083 1.00 1.14 O ATOM 0 H SER A 135 11.996 8.161 -7.968 1.00 0.38 H new ATOM 0 HA SER A 135 9.700 6.524 -7.160 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.457 6.164 -6.068 1.00 0.50 H new ATOM 0 HB3 SER A 135 11.275 4.956 -6.531 1.00 0.50 H new ATOM 0 HG SER A 135 13.068 5.040 -8.004 1.00 1.14 H new ATOM 2394 N THR A 136 9.475 7.375 -4.864 1.00 0.35 N ATOM 2395 CA THR A 136 9.249 7.913 -3.538 1.00 0.34 C ATOM 2396 C THR A 136 9.117 6.771 -2.540 1.00 0.31 C ATOM 2397 O THR A 136 8.537 5.725 -2.850 1.00 0.34 O ATOM 2398 CB THR A 136 7.995 8.822 -3.492 1.00 0.38 C ATOM 2399 OG1 THR A 136 7.767 9.289 -2.159 1.00 0.40 O ATOM 2400 CG2 THR A 136 6.757 8.093 -3.988 1.00 0.39 C ATOM 0 H THR A 136 8.731 6.763 -5.199 1.00 0.35 H new ATOM 0 HA THR A 136 10.106 8.532 -3.272 1.00 0.34 H new ATOM 0 HB THR A 136 8.183 9.669 -4.151 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.469 9.926 -1.911 1.00 0.40 H new ATOM 0 HG21 THR A 136 5.898 8.762 -3.941 1.00 0.39 H new ATOM 0 HG22 THR A 136 6.912 7.773 -5.018 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.573 7.221 -3.361 1.00 0.39 H new ATOM 2408 N SER A 137 9.692 6.953 -1.363 1.00 0.33 N ATOM 2409 CA SER A 137 9.633 5.937 -0.330 1.00 0.32 C ATOM 2410 C SER A 137 8.664 6.357 0.767 1.00 0.31 C ATOM 2411 O SER A 137 8.860 7.375 1.431 1.00 0.40 O ATOM 2412 CB SER A 137 11.025 5.694 0.255 1.00 0.39 C ATOM 2413 OG SER A 137 11.975 5.449 -0.771 1.00 0.79 O ATOM 0 H SER A 137 10.204 7.795 -1.101 1.00 0.33 H new ATOM 0 HA SER A 137 9.276 5.008 -0.774 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.333 6.560 0.841 1.00 0.39 H new ATOM 0 HB3 SER A 137 10.993 4.844 0.936 1.00 0.39 H new ATOM 0 HG SER A 137 12.857 5.298 -0.371 1.00 0.79 H new ATOM 2419 N ARG A 138 7.612 5.577 0.933 1.00 0.35 N ATOM 2420 CA ARG A 138 6.608 5.836 1.950 1.00 0.44 C ATOM 2421 C ARG A 138 6.912 4.964 3.168 1.00 0.39 C ATOM 2422 O ARG A 138 6.747 3.746 3.117 1.00 0.43 O ATOM 2423 CB ARG A 138 5.225 5.508 1.385 1.00 0.63 C ATOM 2424 CG ARG A 138 4.066 6.220 2.060 1.00 1.08 C ATOM 2425 CD ARG A 138 3.970 7.678 1.641 1.00 0.88 C ATOM 2426 NE ARG A 138 2.613 8.193 1.820 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.314 9.446 2.155 1.00 1.07 C ATOM 2428 NH1 ARG A 138 3.274 10.342 2.350 1.00 1.84 N ATOM 2429 NH2 ARG A 138 1.045 9.800 2.287 1.00 1.63 N ATOM 0 H ARG A 138 7.429 4.748 0.368 1.00 0.35 H new ATOM 0 HA ARG A 138 6.623 6.885 2.247 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.215 5.757 0.324 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.064 4.433 1.462 1.00 0.63 H new ATOM 0 HG2 ARG A 138 3.135 5.710 1.814 1.00 1.08 H new ATOM 0 HG3 ARG A 138 4.185 6.161 3.142 1.00 1.08 H new ATOM 0 HD2 ARG A 138 4.668 8.274 2.228 1.00 0.88 H new ATOM 0 HD3 ARG A 138 4.265 7.779 0.597 1.00 0.88 H new ATOM 0 HE ARG A 138 1.839 7.544 1.678 1.00 0.82 H new ATOM 0 HH11 ARG A 138 4.252 10.073 2.243 1.00 1.84 H new ATOM 0 HH12 ARG A 138 3.034 11.300 2.606 1.00 1.84 H new ATOM 0 HH21 ARG A 138 0.306 9.115 2.132 1.00 1.63 H new ATOM 0 HH22 ARG A 138 0.807 10.758 2.543 1.00 1.63 H new ATOM 2443 N TYR A 139 7.379 5.580 4.246 1.00 0.39 N ATOM 2444 CA TYR A 139 7.865 4.829 5.400 1.00 0.36 C ATOM 2445 C TYR A 139 6.761 4.585 6.420 1.00 0.34 C ATOM 2446 O TYR A 139 6.266 5.522 7.054 1.00 0.39 O ATOM 2447 CB TYR A 139 9.029 5.566 6.068 1.00 0.42 C ATOM 2448 CG TYR A 139 10.208 5.793 5.151 1.00 0.44 C ATOM 2449 CD1 TYR A 139 10.362 6.993 4.470 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.166 4.807 4.968 1.00 0.50 C ATOM 2451 CE1 TYR A 139 11.439 7.205 3.633 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.245 5.010 4.133 1.00 0.56 C ATOM 2453 CZ TYR A 139 12.373 6.215 3.462 1.00 0.56 C ATOM 2454 OH TYR A 139 13.456 6.416 2.634 1.00 0.64 O ATOM 0 H TYR A 139 7.432 6.594 4.347 1.00 0.39 H new ATOM 0 HA TYR A 139 8.210 3.862 5.034 1.00 0.36 H new ATOM 0 HB2 TYR A 139 8.675 6.529 6.436 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.359 4.995 6.936 1.00 0.42 H new ATOM 0 HD1 TYR A 139 9.627 7.774 4.597 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.066 3.865 5.487 1.00 0.50 H new ATOM 0 HE1 TYR A 139 11.546 8.147 3.115 1.00 0.52 H new ATOM 0 HE2 TYR A 139 12.985 4.234 4.003 1.00 0.56 H new ATOM 0 HH TYR A 139 14.018 5.613 2.630 1.00 0.64 H new ATOM 2464 N TYR A 140 6.386 3.326 6.573 1.00 0.29 N ATOM 2465 CA TYR A 140 5.383 2.939 7.547 1.00 0.27 C ATOM 2466 C TYR A 140 6.017 2.203 8.717 1.00 0.29 C ATOM 2467 O TYR A 140 7.000 1.479 8.561 1.00 0.37 O ATOM 2468 CB TYR A 140 4.323 2.035 6.918 1.00 0.27 C ATOM 2469 CG TYR A 140 3.565 2.666 5.779 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.475 3.490 6.019 1.00 0.39 C ATOM 2471 CD2 TYR A 140 3.930 2.423 4.464 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.769 4.055 4.978 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.233 2.988 3.418 1.00 0.52 C ATOM 2474 CZ TYR A 140 2.154 3.803 3.680 1.00 0.48 C ATOM 2475 OH TYR A 140 1.450 4.351 2.636 1.00 0.60 O ATOM 0 H TYR A 140 6.765 2.550 6.030 1.00 0.29 H new ATOM 0 HA TYR A 140 4.913 3.856 7.902 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.805 1.126 6.558 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.613 1.736 7.689 1.00 0.27 H new ATOM 0 HD1 TYR A 140 2.175 3.692 7.037 1.00 0.39 H new ATOM 0 HD2 TYR A 140 4.773 1.781 4.256 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.920 4.691 5.179 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.531 2.793 2.398 1.00 0.52 H new ATOM 0 HH TYR A 140 1.805 4.011 1.788 1.00 0.60 H new ATOM 2485 N LYS A 141 5.438 2.394 9.876 1.00 0.37 N ATOM 2486 CA LYS A 141 5.823 1.671 11.071 1.00 0.48 C ATOM 2487 C LYS A 141 4.565 1.075 11.657 1.00 0.45 C ATOM 2488 O LYS A 141 3.492 1.464 11.241 1.00 0.54 O ATOM 2489 CB LYS A 141 6.445 2.597 12.076 1.00 0.69 C ATOM 2490 CG LYS A 141 5.455 3.558 12.672 1.00 0.72 C ATOM 2491 CD LYS A 141 6.003 4.137 13.935 1.00 0.97 C ATOM 2492 CE LYS A 141 7.316 4.834 13.648 1.00 1.45 C ATOM 2493 NZ LYS A 141 7.951 5.393 14.868 1.00 1.92 N ATOM 0 H LYS A 141 4.680 3.060 10.022 1.00 0.37 H new ATOM 0 HA LYS A 141 6.554 0.901 10.823 1.00 0.48 H new ATOM 0 HB2 LYS A 141 6.899 2.009 12.873 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.248 3.159 11.598 1.00 0.69 H new ATOM 0 HG2 LYS A 141 5.236 4.355 11.962 1.00 0.72 H new ATOM 0 HG3 LYS A 141 4.515 3.045 12.875 1.00 0.72 H new ATOM 0 HD2 LYS A 141 5.291 4.843 14.362 1.00 0.97 H new ATOM 0 HD3 LYS A 141 6.152 3.349 14.673 1.00 0.97 H new ATOM 0 HE2 LYS A 141 8.001 4.128 13.178 1.00 1.45 H new ATOM 0 HE3 LYS A 141 7.146 5.638 12.932 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 8.673 6.090 14.595 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 7.228 5.855 15.455 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 8.398 4.626 15.409 1.00 1.92 H new ATOM 2507 N LYS A 142 4.664 0.147 12.594 1.00 0.44 N ATOM 2508 CA LYS A 142 3.463 -0.337 13.282 1.00 0.43 C ATOM 2509 C LYS A 142 2.666 0.826 13.898 1.00 0.36 C ATOM 2510 O LYS A 142 3.111 1.968 13.906 1.00 0.34 O ATOM 2511 CB LYS A 142 3.817 -1.351 14.372 1.00 0.54 C ATOM 2512 CG LYS A 142 4.413 -2.647 13.839 1.00 0.87 C ATOM 2513 CD LYS A 142 4.638 -3.665 14.951 1.00 1.30 C ATOM 2514 CE LYS A 142 3.327 -4.148 15.563 1.00 1.43 C ATOM 2515 NZ LYS A 142 2.502 -4.919 14.596 1.00 2.13 N ATOM 0 H LYS A 142 5.539 -0.283 12.896 1.00 0.44 H new ATOM 0 HA LYS A 142 2.843 -0.830 12.533 1.00 0.43 H new ATOM 0 HB2 LYS A 142 4.525 -0.894 15.063 1.00 0.54 H new ATOM 0 HB3 LYS A 142 2.919 -1.584 14.944 1.00 0.54 H new ATOM 0 HG2 LYS A 142 3.748 -3.071 13.087 1.00 0.87 H new ATOM 0 HG3 LYS A 142 5.360 -2.435 13.343 1.00 0.87 H new ATOM 0 HD2 LYS A 142 5.188 -4.518 14.554 1.00 1.30 H new ATOM 0 HD3 LYS A 142 5.258 -3.220 15.729 1.00 1.30 H new ATOM 0 HE2 LYS A 142 3.542 -4.771 16.431 1.00 1.43 H new ATOM 0 HE3 LYS A 142 2.757 -3.290 15.920 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 1.709 -5.368 15.097 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 2.132 -4.277 13.866 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 3.087 -5.652 14.148 1.00 2.13 H new ATOM 2529 N GLN A 143 1.435 0.563 14.289 1.00 0.44 N ATOM 2530 CA GLN A 143 0.721 1.486 15.164 1.00 0.53 C ATOM 2531 C GLN A 143 1.408 1.571 16.519 1.00 0.68 C ATOM 2532 O GLN A 143 2.129 2.557 16.762 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.729 1.042 15.348 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.583 1.147 14.099 1.00 0.63 C ATOM 2535 CD GLN A 143 -2.083 2.550 13.841 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -1.372 3.287 13.015 1.00 1.34 O flip ATOM 2537 NE2 GLN A 143 -3.121 2.962 14.357 1.00 1.28 N flip ATOM 2538 OXT GLN A 143 1.239 0.639 17.336 1.00 1.19 O ATOM 0 H GLN A 143 0.909 -0.269 14.022 1.00 0.44 H new ATOM 0 HA GLN A 143 0.730 2.471 14.697 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.738 0.008 15.693 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -1.183 1.644 16.135 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -1.003 0.810 13.240 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -2.436 0.475 14.191 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -3.647 2.363 14.993 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -3.456 3.903 14.149 1.00 1.28 H new TER 2547 GLN A 143 HETATM 2548 C1 OLA A1001 -0.250 6.377 0.450 1.00 0.86 C HETATM 2549 O1 OLA A1001 -0.935 5.333 0.393 1.00 1.40 O HETATM 2550 O2 OLA A1001 0.467 6.670 1.436 1.00 1.48 O HETATM 2551 C2 OLA A1001 -0.298 7.328 -0.730 1.00 0.78 C HETATM 2552 C3 OLA A1001 -1.550 8.189 -0.736 1.00 1.13 C HETATM 2553 C4 OLA A1001 -1.517 9.241 0.360 1.00 1.05 C HETATM 2554 C5 OLA A1001 -2.812 10.039 0.419 1.00 1.15 C HETATM 2555 C6 OLA A1001 -3.947 9.225 1.015 1.00 1.18 C HETATM 2556 C7 OLA A1001 -5.259 10.000 1.036 1.00 1.02 C HETATM 2557 C8 OLA A1001 -5.870 10.135 -0.351 1.00 0.99 C HETATM 2558 C9 OLA A1001 -5.482 11.341 -1.139 1.00 0.72 C HETATM 2559 C10 OLA A1001 -5.960 11.632 -2.317 1.00 0.75 C HETATM 2560 C11 OLA A1001 -6.977 10.812 -3.054 1.00 0.92 C HETATM 2561 C12 OLA A1001 -6.988 10.989 -4.567 1.00 0.77 C HETATM 2562 C13 OLA A1001 -5.606 10.803 -5.201 1.00 0.76 C HETATM 2563 C14 OLA A1001 -5.122 9.351 -5.182 1.00 0.88 C HETATM 2564 C15 OLA A1001 -4.450 8.965 -3.869 1.00 0.70 C HETATM 2565 C16 OLA A1001 -3.173 9.749 -3.620 1.00 0.59 C HETATM 2566 C17 OLA A1001 -2.010 9.217 -4.438 1.00 0.57 C HETATM 2567 C18 OLA A1001 -0.682 9.815 -4.039 1.00 0.40 C HETATM 0 H183 OLA A1001 -0.714 10.896 -4.176 1.00 0.40 H new HETATM 0 H182 OLA A1001 -0.480 9.587 -2.992 1.00 0.40 H new HETATM 0 H181 OLA A1001 0.108 9.394 -4.661 1.00 0.40 H new HETATM 0 H172 OLA A1001 -1.962 8.134 -4.328 1.00 0.57 H new HETATM 0 H171 OLA A1001 -2.192 9.422 -5.493 1.00 0.57 H new HETATM 0 H162 OLA A1001 -3.338 10.798 -3.865 1.00 0.59 H new HETATM 0 H161 OLA A1001 -2.921 9.705 -2.560 1.00 0.59 H new HETATM 0 H152 OLA A1001 -5.144 9.134 -3.045 1.00 0.70 H new HETATM 0 H151 OLA A1001 -4.222 7.899 -3.880 1.00 0.70 H new HETATM 0 H142 OLA A1001 -5.970 8.689 -5.359 1.00 0.88 H new HETATM 0 H141 OLA A1001 -4.421 9.197 -6.002 1.00 0.88 H new HETATM 0 H132 OLA A1001 -5.637 11.155 -6.232 1.00 0.76 H new HETATM 0 H131 OLA A1001 -4.885 11.426 -4.673 1.00 0.76 H new HETATM 0 H122 OLA A1001 -7.683 10.273 -5.006 1.00 0.77 H new HETATM 0 H121 OLA A1001 -7.361 11.984 -4.808 1.00 0.77 H new HETATM 0 H112 OLA A1001 -6.802 9.760 -2.830 1.00 0.92 H new HETATM 0 H111 OLA A1001 -7.966 11.060 -2.669 1.00 0.92 H new HETATM 0 HO2 OLA A1001 0.792 5.848 1.860 1.00 1.48 H new HETATM 0 H9 OLA A1001 -4.752 12.023 -0.702 1.00 0.72 H new HETATM 0 H82 OLA A1001 -5.602 9.250 -0.929 1.00 0.99 H new HETATM 0 H81 OLA A1001 -6.955 10.131 -0.247 1.00 0.99 H new HETATM 0 H72 OLA A1001 -5.966 9.496 1.695 1.00 1.02 H new HETATM 0 H71 OLA A1001 -5.086 10.992 1.453 1.00 1.02 H new HETATM 0 H62 OLA A1001 -4.077 8.309 0.439 1.00 1.18 H new HETATM 0 H61 OLA A1001 -3.685 8.928 2.031 1.00 1.18 H new HETATM 0 H52 OLA A1001 -2.658 10.939 1.014 1.00 1.15 H new HETATM 0 H51 OLA A1001 -3.085 10.364 -0.585 1.00 1.15 H new HETATM 0 H42 OLA A1001 -1.344 8.758 1.322 1.00 1.05 H new HETATM 0 H41 OLA A1001 -0.680 9.918 0.188 1.00 1.05 H new HETATM 0 H32 OLA A1001 -1.651 8.677 -1.705 1.00 1.13 H new HETATM 0 H31 OLA A1001 -2.427 7.556 -0.605 1.00 1.13 H new HETATM 0 H22 OLA A1001 0.581 7.972 -0.709 1.00 0.78 H new HETATM 0 H21 OLA A1001 -0.251 6.755 -1.656 1.00 0.78 H new HETATM 0 H10 OLA A1001 -5.594 12.537 -2.801 1.00 0.75 H new