USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 HIS : no HD1:sc= -0.236 X(o=-0.36,f=-0.12) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= -0.119 USER MOD Set 2.1: A 20 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 22 CYS SG : rot -102:sc= 0.764 USER MOD Set 2.3: A 26 CYS SG : rot 160:sc= -0.483 USER MOD Set 3.1: A 14 ASN : amide:sc= -0.276 X(o=-0.32,f=-0.056) USER MOD Set 3.2: A 16 GLN : amide:sc= -0.0391 K(o=-0.32,f=-1) USER MOD Single : A 1 SER N :NH3+ -168:sc= -0.0353 (180deg=-0.195) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 6 LYS NZ :NH3+ -152:sc= -1.11 (180deg=-1.63) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.342 USER MOD Single : A 24 CYS SG : rot 27:sc= 0.12 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 44:sc= -1.83 USER MOD Single : A 37 ASN : amide:sc= -1.04 K(o=-1,f=-8.6!) USER MOD Single : A 38 SER OG : rot 2:sc= -1.07 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.16! K(o=-0.16!,f=-1.2) USER MOD Single : A 55 SER OG : rot -82:sc= 1.29 USER MOD Single : A 58 MET CE :methyl 157:sc= 0 (180deg=-0.1) USER MOD Single : A 63 GLN : amide:sc= -4.91! C(o=-4.9!,f=-5.2!) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0936 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -2.6! C(o=-9.8!,f=-2.6!) USER MOD Single : A 81 SER OG : rot -151:sc= 1.15 USER MOD Single : A 82 CYS SG : rot 180:sc= -0.113 USER MOD Single : A 86 HIS : no HD1:sc=-0.00625 X(o=-0.0063,f=-0.27) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.208 F(o=-1.1!,f=-0.21) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.6!) USER MOD Single : A 100 LYS NZ :NH3+ -157:sc= -0.0595 (180deg=-0.406) USER MOD Single : A 104 ASN : amide:sc= -1.02 K(o=-1,f=-2.5!) USER MOD Single : A 106 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.24) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0984 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 70:sc= -0.0316 USER MOD Single : A 116 SER OG : rot 140:sc= 0.061 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.1) USER MOD Single : A 122 HIS : no HD1:sc= -3.26! C(o=-3.3!,f=-6.5!) USER MOD Single : A 127 HIS : no HD1:sc= -0.0724 K(o=-0.072,f=-1.6) USER MOD Single : A 128 SER OG : rot 15:sc= 0.647 USER MOD Single : A 129 CYS SG : rot -72:sc= 0.59 USER MOD Single : A 130 LYS NZ :NH3+ -162:sc= -0.0139 (180deg=-0.329) USER MOD Single : A 135 THR OG1 : rot 1:sc= -0.569! USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.8) USER MOD Single : A 149 TYR OH : rot -2:sc= -3! USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 159:sc= -0.0428 (180deg=-0.638) USER MOD Single : A 156 TYR OH : rot 37:sc= 0.661 USER MOD Single : A 158 LYS NZ :NH3+ 163:sc= -0.0249 (180deg=-0.311) USER MOD Single : A 166 SER OG : rot 180:sc= -0.366 USER MOD Single : A 170 GLN : amide:sc= -0.115 K(o=-0.11,f=-2.2!) USER MOD Single : A 171 SER OG : rot -135:sc= -0.663 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.497 -15.578 -21.779 1.00 4.50 N ATOM 2 CA SER A 1 -12.916 -16.551 -20.812 1.00 4.52 C ATOM 3 C SER A 1 -12.002 -15.812 -19.832 1.00 3.57 C ATOM 4 O SER A 1 -11.874 -16.188 -18.684 1.00 3.03 O ATOM 5 CB SER A 1 -12.109 -17.602 -21.573 1.00 4.81 C ATOM 6 OG SER A 1 -12.927 -18.182 -22.579 1.00 5.28 O ATOM 0 H1 SER A 1 -14.266 -16.034 -22.311 1.00 4.50 H new ATOM 0 H2 SER A 1 -13.872 -14.757 -21.262 1.00 4.50 H new ATOM 0 H3 SER A 1 -12.759 -15.263 -22.440 1.00 4.50 H new ATOM 0 HA SER A 1 -13.718 -17.040 -20.259 1.00 4.52 H new ATOM 0 HB2 SER A 1 -11.228 -17.145 -22.023 1.00 4.81 H new ATOM 0 HB3 SER A 1 -11.754 -18.372 -20.888 1.00 4.81 H new ATOM 0 HG SER A 1 -12.413 -18.856 -23.071 1.00 5.28 H new ATOM 14 N LYS A 2 -11.365 -14.764 -20.277 1.00 3.60 N ATOM 15 CA LYS A 2 -10.461 -14.001 -19.373 1.00 3.08 C ATOM 16 C LYS A 2 -11.285 -13.344 -18.265 1.00 2.11 C ATOM 17 O LYS A 2 -12.085 -12.464 -18.519 1.00 2.12 O ATOM 18 CB LYS A 2 -9.727 -12.927 -20.177 1.00 3.28 C ATOM 19 CG LYS A 2 -8.960 -13.583 -21.327 1.00 3.95 C ATOM 20 CD LYS A 2 -7.991 -12.571 -21.941 1.00 4.66 C ATOM 21 CE LYS A 2 -7.266 -13.210 -23.128 1.00 5.66 C ATOM 22 NZ LYS A 2 -6.563 -12.153 -23.909 1.00 5.96 N ATOM 0 H LYS A 2 -11.432 -14.403 -21.229 1.00 3.60 H new ATOM 0 HA LYS A 2 -9.733 -14.678 -18.927 1.00 3.08 H new ATOM 0 HB2 LYS A 2 -10.439 -12.201 -20.569 1.00 3.28 H new ATOM 0 HB3 LYS A 2 -9.039 -12.382 -19.531 1.00 3.28 H new ATOM 0 HG2 LYS A 2 -8.412 -14.452 -20.963 1.00 3.95 H new ATOM 0 HG3 LYS A 2 -9.657 -13.941 -22.085 1.00 3.95 H new ATOM 0 HD2 LYS A 2 -8.534 -11.684 -22.268 1.00 4.66 H new ATOM 0 HD3 LYS A 2 -7.268 -12.244 -21.193 1.00 4.66 H new ATOM 0 HE2 LYS A 2 -6.550 -13.952 -22.774 1.00 5.66 H new ATOM 0 HE3 LYS A 2 -7.979 -13.733 -23.764 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 -6.070 -12.587 -24.716 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 -7.256 -11.461 -24.258 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 -5.871 -11.673 -23.299 1.00 5.96 H new ATOM 36 N THR A 3 -11.068 -13.719 -17.030 1.00 1.72 N ATOM 37 CA THR A 3 -11.806 -13.064 -15.909 1.00 1.18 C ATOM 38 C THR A 3 -10.976 -11.863 -15.459 1.00 1.02 C ATOM 39 O THR A 3 -10.416 -11.172 -16.287 1.00 1.63 O ATOM 40 CB THR A 3 -12.018 -14.046 -14.752 1.00 1.48 C ATOM 41 OG1 THR A 3 -10.772 -14.312 -14.125 1.00 2.13 O ATOM 42 CG2 THR A 3 -12.610 -15.350 -15.288 1.00 2.22 C ATOM 0 H THR A 3 -10.413 -14.449 -16.750 1.00 1.72 H new ATOM 0 HA THR A 3 -12.794 -12.742 -16.238 1.00 1.18 H new ATOM 0 HB THR A 3 -12.705 -13.610 -14.027 1.00 1.48 H new ATOM 0 HG1 THR A 3 -10.906 -14.939 -13.384 1.00 2.13 H new ATOM 0 HG21 THR A 3 -12.760 -16.047 -14.464 1.00 2.22 H new ATOM 0 HG22 THR A 3 -13.567 -15.145 -15.769 1.00 2.22 H new ATOM 0 HG23 THR A 3 -11.926 -15.789 -16.014 1.00 2.22 H new ATOM 50 N GLY A 4 -10.861 -11.583 -14.189 1.00 0.52 N ATOM 51 CA GLY A 4 -10.031 -10.400 -13.819 1.00 0.30 C ATOM 52 C GLY A 4 -10.084 -10.087 -12.322 1.00 0.41 C ATOM 53 O GLY A 4 -10.699 -10.776 -11.533 1.00 0.81 O ATOM 0 H GLY A 4 -11.287 -12.098 -13.418 1.00 0.52 H new ATOM 0 HA2 GLY A 4 -8.997 -10.581 -14.112 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -10.374 -9.531 -14.380 1.00 0.30 H new ATOM 57 N GLY A 5 -9.426 -9.020 -11.957 1.00 0.01 N ATOM 58 CA GLY A 5 -9.390 -8.577 -10.535 1.00 0.01 C ATOM 59 C GLY A 5 -10.681 -7.829 -10.199 1.00 0.01 C ATOM 60 O GLY A 5 -11.376 -7.352 -11.071 1.00 0.01 O ATOM 0 H GLY A 5 -8.902 -8.425 -12.599 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -9.275 -9.439 -9.878 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.529 -7.931 -10.366 1.00 0.01 H new ATOM 64 N LYS A 6 -11.005 -7.718 -8.937 1.00 0.00 N ATOM 65 CA LYS A 6 -12.253 -6.994 -8.538 1.00 0.01 C ATOM 66 C LYS A 6 -12.044 -6.260 -7.212 1.00 0.01 C ATOM 67 O LYS A 6 -11.506 -6.795 -6.262 1.00 0.00 O ATOM 68 CB LYS A 6 -13.410 -7.986 -8.387 1.00 0.02 C ATOM 69 CG LYS A 6 -14.735 -7.223 -8.325 1.00 0.02 C ATOM 70 CD LYS A 6 -15.839 -8.151 -7.813 1.00 0.02 C ATOM 71 CE LYS A 6 -15.931 -9.387 -8.711 1.00 0.02 C ATOM 72 NZ LYS A 6 -15.816 -8.975 -10.139 1.00 0.02 N ATOM 0 H LYS A 6 -10.460 -8.097 -8.163 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.492 -6.269 -9.316 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.418 -8.681 -9.226 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -13.278 -8.580 -7.482 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.638 -6.359 -7.667 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.994 -6.844 -9.313 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -15.629 -8.450 -6.786 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -16.794 -7.625 -7.803 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.138 -10.092 -8.460 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -16.878 -9.900 -8.545 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -16.325 -9.655 -10.739 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -16.229 -8.028 -10.262 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -14.813 -8.953 -10.414 1.00 0.02 H new ATOM 86 N ILE A 7 -12.495 -5.030 -7.150 1.00 0.02 N ATOM 87 CA ILE A 7 -12.371 -4.215 -5.901 1.00 0.00 C ATOM 88 C ILE A 7 -13.748 -3.624 -5.576 1.00 0.02 C ATOM 89 O ILE A 7 -14.463 -3.180 -6.454 1.00 0.01 O ATOM 90 CB ILE A 7 -11.325 -3.116 -6.103 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.373 -2.136 -4.929 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.602 -2.363 -7.402 1.00 0.01 C ATOM 93 CD1 ILE A 7 -10.147 -1.218 -4.977 1.00 0.02 C ATOM 0 H ILE A 7 -12.951 -4.549 -7.925 1.00 0.02 H new ATOM 0 HA ILE A 7 -12.042 -4.833 -5.066 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.337 -3.574 -6.156 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.286 -1.543 -4.974 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.394 -2.683 -3.986 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -10.853 -1.583 -7.537 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.559 -3.057 -8.241 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.593 -1.910 -7.356 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.182 -0.520 -4.140 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.240 -1.819 -4.911 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -10.146 -0.661 -5.914 1.00 0.02 H new ATOM 105 N SER A 8 -14.124 -3.613 -4.318 1.00 0.02 N ATOM 106 CA SER A 8 -15.459 -3.050 -3.914 1.00 0.02 C ATOM 107 C SER A 8 -15.268 -1.905 -2.916 1.00 0.01 C ATOM 108 O SER A 8 -14.586 -2.042 -1.922 1.00 0.02 O ATOM 109 CB SER A 8 -16.311 -4.142 -3.263 1.00 0.30 C ATOM 110 OG SER A 8 -16.196 -5.339 -4.021 1.00 0.39 O ATOM 0 H SER A 8 -13.561 -3.972 -3.547 1.00 0.02 H new ATOM 0 HA SER A 8 -15.961 -2.675 -4.806 1.00 0.02 H new ATOM 0 HB2 SER A 8 -15.982 -4.314 -2.238 1.00 0.30 H new ATOM 0 HB3 SER A 8 -17.353 -3.827 -3.215 1.00 0.30 H new ATOM 0 HG SER A 8 -16.739 -6.042 -3.607 1.00 0.39 H new ATOM 116 N PHE A 9 -15.894 -0.781 -3.172 1.00 0.02 N ATOM 117 CA PHE A 9 -15.795 0.393 -2.245 1.00 0.01 C ATOM 118 C PHE A 9 -17.153 0.590 -1.554 1.00 0.01 C ATOM 119 O PHE A 9 -18.187 0.442 -2.176 1.00 0.02 O ATOM 120 CB PHE A 9 -15.459 1.658 -3.046 1.00 0.02 C ATOM 121 CG PHE A 9 -14.349 1.384 -4.033 1.00 0.01 C ATOM 122 CD1 PHE A 9 -14.625 0.704 -5.224 1.00 0.01 C ATOM 123 CD2 PHE A 9 -13.048 1.829 -3.766 1.00 0.01 C ATOM 124 CE1 PHE A 9 -13.602 0.465 -6.147 1.00 0.02 C ATOM 125 CE2 PHE A 9 -12.025 1.593 -4.692 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.302 0.910 -5.882 1.00 0.02 C ATOM 0 H PHE A 9 -16.477 -0.625 -3.994 1.00 0.02 H new ATOM 0 HA PHE A 9 -15.014 0.212 -1.507 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.346 2.006 -3.576 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.160 2.456 -2.367 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -15.629 0.363 -5.431 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -12.834 2.354 -2.847 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -13.815 -0.063 -7.065 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -11.022 1.938 -4.488 1.00 0.02 H new ATOM 0 HZ PHE A 9 -11.512 0.726 -6.596 1.00 0.02 H new ATOM 136 N TYR A 10 -17.165 0.918 -0.279 1.00 0.02 N ATOM 137 CA TYR A 10 -18.466 1.119 0.449 1.00 0.01 C ATOM 138 C TYR A 10 -18.512 2.532 1.034 1.00 0.02 C ATOM 139 O TYR A 10 -17.527 3.040 1.532 1.00 0.01 O ATOM 140 CB TYR A 10 -18.574 0.102 1.590 1.00 0.02 C ATOM 141 CG TYR A 10 -18.170 -1.270 1.098 1.00 0.02 C ATOM 142 CD1 TYR A 10 -16.822 -1.552 0.846 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.141 -2.258 0.899 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.446 -2.822 0.394 1.00 0.02 C ATOM 145 CE2 TYR A 10 -18.764 -3.529 0.448 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.416 -3.811 0.195 1.00 0.00 C ATOM 147 OH TYR A 10 -17.044 -5.063 -0.249 1.00 0.02 O ATOM 0 H TYR A 10 -16.329 1.055 0.290 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.293 0.982 -0.247 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -17.934 0.403 2.419 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.595 0.075 1.969 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -16.073 -0.790 1.000 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.181 -2.040 1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.406 -3.039 0.199 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.513 -4.292 0.295 1.00 0.02 H new ATOM 0 HH TYR A 10 -17.839 -5.630 -0.333 1.00 0.02 H new ATOM 157 N GLU A 11 -19.642 3.191 0.949 1.00 0.00 N ATOM 158 CA GLU A 11 -19.729 4.584 1.469 1.00 0.02 C ATOM 159 C GLU A 11 -19.634 4.618 2.996 1.00 0.03 C ATOM 160 O GLU A 11 -19.192 5.601 3.558 1.00 0.03 O ATOM 161 CB GLU A 11 -21.064 5.204 1.037 1.00 0.00 C ATOM 162 CG GLU A 11 -21.000 5.594 -0.440 1.00 0.00 C ATOM 163 CD GLU A 11 -22.315 6.259 -0.847 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.309 6.011 -0.186 1.00 0.02 O ATOM 165 OE2 GLU A 11 -22.306 7.004 -1.813 1.00 0.01 O ATOM 0 H GLU A 11 -20.503 2.823 0.543 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.893 5.151 1.060 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -21.875 4.494 1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.282 6.082 1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.167 6.275 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -20.821 4.711 -1.053 1.00 0.00 H new ATOM 172 N ASP A 12 -20.035 3.572 3.685 1.00 0.02 N ATOM 173 CA ASP A 12 -19.957 3.581 5.184 1.00 0.01 C ATOM 174 C ASP A 12 -18.948 2.536 5.666 1.00 0.02 C ATOM 175 O ASP A 12 -18.473 1.707 4.914 1.00 0.02 O ATOM 176 CB ASP A 12 -21.330 3.252 5.776 1.00 0.01 C ATOM 177 CG ASP A 12 -21.335 3.575 7.273 1.00 0.01 C ATOM 178 OD1 ASP A 12 -21.616 4.712 7.614 1.00 0.02 O ATOM 179 OD2 ASP A 12 -21.058 2.679 8.052 1.00 0.03 O ATOM 0 H ASP A 12 -20.411 2.717 3.276 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.640 4.572 5.510 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -22.104 3.827 5.267 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -21.561 2.198 5.620 1.00 0.01 H new ATOM 184 N ARG A 13 -18.624 2.587 6.927 1.00 0.02 N ATOM 185 CA ARG A 13 -17.646 1.626 7.510 1.00 0.02 C ATOM 186 C ARG A 13 -18.302 0.254 7.702 1.00 0.00 C ATOM 187 O ARG A 13 -19.506 0.128 7.783 1.00 0.02 O ATOM 188 CB ARG A 13 -17.194 2.169 8.868 1.00 0.00 C ATOM 189 CG ARG A 13 -16.334 3.416 8.657 1.00 0.01 C ATOM 190 CD ARG A 13 -16.162 4.150 9.988 1.00 0.02 C ATOM 191 NE ARG A 13 -15.415 5.419 9.764 1.00 0.03 N ATOM 192 CZ ARG A 13 -15.404 6.342 10.686 1.00 0.02 C ATOM 193 NH1 ARG A 13 -16.048 6.155 11.806 1.00 0.02 N ATOM 194 NH2 ARG A 13 -14.750 7.453 10.490 1.00 0.02 N ATOM 0 H ARG A 13 -19.001 3.265 7.589 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.794 1.513 6.839 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -18.061 2.412 9.482 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.626 1.409 9.405 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -15.360 3.135 8.256 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -16.802 4.074 7.925 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -17.137 4.362 10.427 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -15.624 3.519 10.696 1.00 0.02 H new ATOM 0 HE ARG A 13 -14.912 5.567 8.889 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -16.560 5.287 11.961 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -16.039 6.877 12.526 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -14.247 7.601 9.615 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -14.742 8.174 11.211 1.00 0.02 H new ATOM 208 N ASN A 14 -17.493 -0.771 7.791 1.00 0.02 N ATOM 209 CA ASN A 14 -18.016 -2.156 7.997 1.00 0.02 C ATOM 210 C ASN A 14 -18.825 -2.630 6.783 1.00 0.02 C ATOM 211 O ASN A 14 -19.762 -3.395 6.893 1.00 0.02 O ATOM 212 CB ASN A 14 -18.876 -2.185 9.267 1.00 0.26 C ATOM 213 CG ASN A 14 -18.988 -3.621 9.785 1.00 0.12 C ATOM 214 OD1 ASN A 14 -18.083 -4.123 10.423 1.00 0.74 O ATOM 215 ND2 ASN A 14 -20.070 -4.308 9.537 1.00 0.46 N ATOM 0 H ASN A 14 -16.477 -0.706 7.729 1.00 0.02 H new ATOM 0 HA ASN A 14 -17.174 -2.839 8.113 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -18.433 -1.546 10.032 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -19.868 -1.787 9.054 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -20.156 -5.265 9.878 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -20.830 -3.887 9.002 1.00 0.46 H new ATOM 222 N PHE A 15 -18.422 -2.195 5.619 1.00 0.02 N ATOM 223 CA PHE A 15 -19.098 -2.618 4.354 1.00 0.02 C ATOM 224 C PHE A 15 -20.600 -2.320 4.398 1.00 0.00 C ATOM 225 O PHE A 15 -21.412 -3.109 3.954 1.00 0.02 O ATOM 226 CB PHE A 15 -18.880 -4.130 4.147 1.00 0.02 C ATOM 227 CG PHE A 15 -17.550 -4.539 4.733 1.00 0.02 C ATOM 228 CD1 PHE A 15 -16.367 -4.300 4.024 1.00 0.02 C ATOM 229 CD2 PHE A 15 -17.499 -5.161 5.988 1.00 0.02 C ATOM 230 CE1 PHE A 15 -15.136 -4.682 4.567 1.00 0.02 C ATOM 231 CE2 PHE A 15 -16.266 -5.543 6.530 1.00 0.02 C ATOM 232 CZ PHE A 15 -15.086 -5.303 5.821 1.00 0.02 C ATOM 0 H PHE A 15 -17.640 -1.554 5.488 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.666 -2.055 3.527 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.685 -4.691 4.621 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -18.908 -4.369 3.084 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -16.405 -3.820 3.057 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -18.411 -5.346 6.537 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -14.224 -4.498 4.019 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -16.227 -6.023 7.496 1.00 0.02 H new ATOM 0 HZ PHE A 15 -14.135 -5.597 6.240 1.00 0.02 H new ATOM 242 N GLN A 16 -20.968 -1.173 4.907 1.00 0.02 N ATOM 243 CA GLN A 16 -22.411 -0.782 4.968 1.00 0.02 C ATOM 244 C GLN A 16 -22.623 0.414 4.036 1.00 0.02 C ATOM 245 O GLN A 16 -21.679 1.042 3.599 1.00 0.02 O ATOM 246 CB GLN A 16 -22.762 -0.377 6.404 1.00 0.02 C ATOM 247 CG GLN A 16 -22.935 -1.633 7.261 1.00 0.00 C ATOM 248 CD GLN A 16 -23.136 -1.231 8.724 1.00 0.00 C ATOM 249 OE1 GLN A 16 -23.563 -0.130 9.011 1.00 0.02 O ATOM 250 NE2 GLN A 16 -22.846 -2.084 9.668 1.00 0.02 N ATOM 0 H GLN A 16 -20.323 -0.481 5.288 1.00 0.02 H new ATOM 0 HA GLN A 16 -23.045 -1.615 4.663 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -21.975 0.253 6.818 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.679 0.212 6.413 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -23.791 -2.210 6.911 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -22.058 -2.274 7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -22.488 -3.008 9.428 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -22.978 -1.827 10.646 1.00 0.02 H new ATOM 259 N GLY A 17 -23.849 0.742 3.724 1.00 0.03 N ATOM 260 CA GLY A 17 -24.099 1.910 2.826 1.00 0.03 C ATOM 261 C GLY A 17 -24.075 1.480 1.355 1.00 0.02 C ATOM 262 O GLY A 17 -24.090 0.309 1.035 1.00 0.02 O ATOM 0 H GLY A 17 -24.684 0.256 4.049 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -25.064 2.357 3.063 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.342 2.676 2.998 1.00 0.03 H new ATOM 266 N ARG A 18 -24.025 2.433 0.463 1.00 0.00 N ATOM 267 CA ARG A 18 -23.985 2.114 -0.995 1.00 0.02 C ATOM 268 C ARG A 18 -22.640 1.472 -1.338 1.00 0.02 C ATOM 269 O ARG A 18 -21.611 1.846 -0.809 1.00 0.02 O ATOM 270 CB ARG A 18 -24.152 3.410 -1.790 1.00 0.79 C ATOM 271 CG ARG A 18 -24.450 3.080 -3.253 1.00 1.49 C ATOM 272 CD ARG A 18 -24.769 4.370 -4.012 1.00 1.42 C ATOM 273 NE ARG A 18 -26.122 4.856 -3.618 1.00 2.07 N ATOM 274 CZ ARG A 18 -26.483 6.078 -3.895 1.00 2.35 C ATOM 275 NH1 ARG A 18 -25.663 6.876 -4.520 1.00 2.53 N ATOM 276 NH2 ARG A 18 -27.668 6.502 -3.548 1.00 2.76 N ATOM 0 H ARG A 18 -24.010 3.429 0.684 1.00 0.00 H new ATOM 0 HA ARG A 18 -24.788 1.421 -1.246 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -24.962 4.005 -1.369 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.245 4.011 -1.720 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -23.593 2.581 -3.706 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -25.291 2.390 -3.317 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -24.019 5.130 -3.791 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -24.734 4.191 -5.087 1.00 1.42 H new ATOM 0 HE ARG A 18 -26.766 4.232 -3.131 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -24.738 6.545 -4.793 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -25.947 7.832 -4.736 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -28.311 5.878 -3.061 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -27.951 7.458 -3.764 1.00 2.76 H new ATOM 290 N ARG A 19 -22.647 0.492 -2.212 1.00 0.02 N ATOM 291 CA ARG A 19 -21.380 -0.210 -2.596 1.00 0.02 C ATOM 292 C ARG A 19 -21.136 -0.073 -4.102 1.00 0.02 C ATOM 293 O ARG A 19 -22.057 -0.008 -4.891 1.00 0.02 O ATOM 294 CB ARG A 19 -21.520 -1.696 -2.251 1.00 0.85 C ATOM 295 CG ARG A 19 -20.173 -2.405 -2.427 1.00 1.31 C ATOM 296 CD ARG A 19 -20.366 -3.917 -2.287 1.00 1.34 C ATOM 297 NE ARG A 19 -20.934 -4.464 -3.549 1.00 1.50 N ATOM 298 CZ ARG A 19 -20.909 -5.748 -3.774 1.00 1.63 C ATOM 299 NH1 ARG A 19 -20.389 -6.553 -2.889 1.00 1.72 N ATOM 300 NH2 ARG A 19 -21.405 -6.227 -4.881 1.00 1.89 N ATOM 0 H ARG A 19 -23.485 0.146 -2.680 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.543 0.233 -2.056 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -21.868 -1.808 -1.224 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.270 -2.158 -2.893 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -19.753 -2.171 -3.405 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -19.463 -2.048 -1.681 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -19.413 -4.397 -2.067 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -21.032 -4.133 -1.452 1.00 1.34 H new ATOM 0 HE ARG A 19 -21.343 -3.834 -4.239 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -20.003 -6.178 -2.023 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -20.369 -7.558 -3.063 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -21.813 -5.597 -5.572 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -21.385 -7.232 -5.056 1.00 1.89 H new ATOM 314 N TYR A 20 -19.889 -0.052 -4.496 1.00 0.02 N ATOM 315 CA TYR A 20 -19.535 0.056 -5.947 1.00 0.02 C ATOM 316 C TYR A 20 -18.473 -0.998 -6.261 1.00 0.02 C ATOM 317 O TYR A 20 -17.470 -1.089 -5.589 1.00 0.02 O ATOM 318 CB TYR A 20 -18.981 1.453 -6.242 1.00 0.02 C ATOM 319 CG TYR A 20 -18.457 1.503 -7.661 1.00 0.01 C ATOM 320 CD1 TYR A 20 -19.335 1.303 -8.735 1.00 0.02 C ATOM 321 CD2 TYR A 20 -17.100 1.753 -7.906 1.00 0.01 C ATOM 322 CE1 TYR A 20 -18.855 1.348 -10.049 1.00 0.02 C ATOM 323 CE2 TYR A 20 -16.621 1.797 -9.219 1.00 0.02 C ATOM 324 CZ TYR A 20 -17.498 1.596 -10.292 1.00 0.02 C ATOM 325 OH TYR A 20 -17.027 1.641 -11.587 1.00 0.01 O ATOM 0 H TYR A 20 -19.088 -0.106 -3.866 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.420 -0.106 -6.563 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -19.762 2.201 -6.106 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.183 1.694 -5.540 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -20.382 1.114 -8.549 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -16.423 1.912 -7.080 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -19.531 1.191 -10.876 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -15.574 1.986 -9.406 1.00 0.02 H new ATOM 0 HH TYR A 20 -17.738 1.956 -12.183 1.00 0.01 H new ATOM 335 N ASP A 21 -18.698 -1.807 -7.269 1.00 0.01 N ATOM 336 CA ASP A 21 -17.717 -2.881 -7.632 1.00 0.02 C ATOM 337 C ASP A 21 -17.089 -2.570 -8.993 1.00 0.00 C ATOM 338 O ASP A 21 -17.760 -2.160 -9.919 1.00 0.01 O ATOM 339 CB ASP A 21 -18.461 -4.216 -7.716 1.00 0.12 C ATOM 340 CG ASP A 21 -19.661 -4.073 -8.652 1.00 0.41 C ATOM 341 OD1 ASP A 21 -19.445 -3.889 -9.838 1.00 0.56 O ATOM 342 OD2 ASP A 21 -20.779 -4.150 -8.165 1.00 1.12 O ATOM 0 H ASP A 21 -19.527 -1.769 -7.862 1.00 0.01 H new ATOM 0 HA ASP A 21 -16.932 -2.932 -6.877 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -17.792 -4.995 -8.082 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -18.794 -4.522 -6.724 1.00 0.12 H new ATOM 347 N CYS A 22 -15.795 -2.759 -9.111 1.00 0.01 N ATOM 348 CA CYS A 22 -15.093 -2.475 -10.404 1.00 0.00 C ATOM 349 C CYS A 22 -14.204 -3.664 -10.779 1.00 0.02 C ATOM 350 O CYS A 22 -13.554 -4.258 -9.939 1.00 0.01 O ATOM 351 CB CYS A 22 -14.245 -1.213 -10.246 1.00 0.00 C ATOM 352 SG CYS A 22 -13.769 -0.599 -11.881 1.00 0.02 S ATOM 0 H CYS A 22 -15.192 -3.100 -8.362 1.00 0.01 H new ATOM 0 HA CYS A 22 -15.825 -2.321 -11.196 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -14.807 -0.449 -9.708 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.356 -1.431 -9.654 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.533 -0.921 -12.122 1.00 0.02 H new ATOM 358 N ASP A 23 -14.184 -4.020 -12.043 1.00 0.01 N ATOM 359 CA ASP A 23 -13.354 -5.178 -12.510 1.00 0.02 C ATOM 360 C ASP A 23 -12.279 -4.690 -13.484 1.00 0.00 C ATOM 361 O ASP A 23 -11.610 -5.473 -14.130 1.00 0.02 O ATOM 362 CB ASP A 23 -14.255 -6.193 -13.216 1.00 0.16 C ATOM 363 CG ASP A 23 -13.450 -7.453 -13.545 1.00 0.17 C ATOM 364 OD1 ASP A 23 -13.405 -8.338 -12.706 1.00 0.17 O ATOM 365 OD2 ASP A 23 -12.894 -7.510 -14.629 1.00 0.20 O ATOM 0 H ASP A 23 -14.713 -3.552 -12.779 1.00 0.01 H new ATOM 0 HA ASP A 23 -12.873 -5.645 -11.651 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -15.103 -6.447 -12.579 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -14.661 -5.760 -14.130 1.00 0.16 H new ATOM 370 N CYS A 24 -12.096 -3.402 -13.587 1.00 0.01 N ATOM 371 CA CYS A 24 -11.054 -2.862 -14.507 1.00 0.01 C ATOM 372 C CYS A 24 -10.689 -1.453 -14.042 1.00 0.01 C ATOM 373 O CYS A 24 -11.297 -0.922 -13.134 1.00 0.01 O ATOM 374 CB CYS A 24 -11.603 -2.813 -15.937 1.00 0.62 C ATOM 375 SG CYS A 24 -11.586 -4.477 -16.649 1.00 1.23 S ATOM 0 H CYS A 24 -12.625 -2.698 -13.072 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.171 -3.501 -14.494 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -12.619 -2.418 -15.934 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -11.000 -2.139 -16.546 1.00 0.62 H new ATOM 0 HG CYS A 24 -11.676 -5.357 -15.697 1.00 1.23 H new ATOM 381 N ASP A 25 -9.710 -0.829 -14.639 1.00 0.02 N ATOM 382 CA ASP A 25 -9.337 0.547 -14.199 1.00 0.01 C ATOM 383 C ASP A 25 -10.525 1.490 -14.382 1.00 0.02 C ATOM 384 O ASP A 25 -11.276 1.377 -15.332 1.00 0.00 O ATOM 385 CB ASP A 25 -8.170 1.050 -15.051 1.00 0.01 C ATOM 386 CG ASP A 25 -8.511 0.888 -16.533 1.00 0.01 C ATOM 387 OD1 ASP A 25 -8.949 -0.189 -16.906 1.00 0.01 O ATOM 388 OD2 ASP A 25 -8.326 1.842 -17.269 1.00 0.01 O ATOM 0 H ASP A 25 -9.156 -1.208 -15.407 1.00 0.02 H new ATOM 0 HA ASP A 25 -9.050 0.521 -13.148 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -7.967 2.097 -14.826 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -7.265 0.492 -14.812 1.00 0.01 H new ATOM 393 N CYS A 26 -10.687 2.433 -13.488 1.00 0.01 N ATOM 394 CA CYS A 26 -11.812 3.415 -13.602 1.00 0.01 C ATOM 395 C CYS A 26 -11.251 4.822 -13.405 1.00 0.01 C ATOM 396 O CYS A 26 -10.693 5.139 -12.374 1.00 0.01 O ATOM 397 CB CYS A 26 -12.871 3.122 -12.537 1.00 0.01 C ATOM 398 SG CYS A 26 -14.390 4.022 -12.935 1.00 0.02 S ATOM 0 H CYS A 26 -10.083 2.567 -12.677 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.277 3.334 -14.585 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.071 2.051 -12.492 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -12.506 3.420 -11.554 1.00 0.01 H new ATOM 0 HG CYS A 26 -15.394 3.473 -12.317 1.00 0.02 H new ATOM 404 N ALA A 27 -11.354 5.658 -14.405 1.00 0.01 N ATOM 405 CA ALA A 27 -10.787 7.029 -14.287 1.00 0.01 C ATOM 406 C ALA A 27 -11.705 7.928 -13.457 1.00 0.01 C ATOM 407 O ALA A 27 -11.269 8.897 -12.869 1.00 0.02 O ATOM 408 CB ALA A 27 -10.612 7.629 -15.684 1.00 0.24 C ATOM 0 H ALA A 27 -11.806 5.449 -15.295 1.00 0.01 H new ATOM 0 HA ALA A 27 -9.821 6.964 -13.786 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -10.197 8.633 -15.599 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -9.935 7.004 -16.266 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.580 7.677 -16.183 1.00 0.24 H new ATOM 414 N ASP A 28 -12.973 7.623 -13.405 1.00 0.01 N ATOM 415 CA ASP A 28 -13.915 8.467 -12.613 1.00 0.02 C ATOM 416 C ASP A 28 -15.122 7.616 -12.200 1.00 0.01 C ATOM 417 O ASP A 28 -16.019 7.369 -12.982 1.00 0.02 O ATOM 418 CB ASP A 28 -14.387 9.646 -13.466 1.00 0.67 C ATOM 419 CG ASP A 28 -15.165 10.629 -12.591 1.00 0.90 C ATOM 420 OD1 ASP A 28 -16.196 10.238 -12.069 1.00 0.87 O ATOM 421 OD2 ASP A 28 -14.718 11.757 -12.457 1.00 1.14 O ATOM 0 H ASP A 28 -13.399 6.825 -13.877 1.00 0.01 H new ATOM 0 HA ASP A 28 -13.411 8.847 -11.724 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -13.531 10.146 -13.920 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -15.018 9.290 -14.281 1.00 0.67 H new ATOM 426 N PHE A 29 -15.144 7.174 -10.968 1.00 0.02 N ATOM 427 CA PHE A 29 -16.282 6.338 -10.462 1.00 0.02 C ATOM 428 C PHE A 29 -17.178 7.179 -9.545 1.00 0.00 C ATOM 429 O PHE A 29 -18.050 6.681 -8.857 1.00 0.02 O ATOM 430 CB PHE A 29 -15.737 5.116 -9.714 1.00 2.87 C ATOM 431 CG PHE A 29 -15.150 5.534 -8.387 1.00 3.99 C ATOM 432 CD1 PHE A 29 -13.891 6.141 -8.339 1.00 4.68 C ATOM 433 CD2 PHE A 29 -15.865 5.308 -7.203 1.00 4.52 C ATOM 434 CE1 PHE A 29 -13.345 6.522 -7.110 1.00 5.85 C ATOM 435 CE2 PHE A 29 -15.319 5.688 -5.975 1.00 5.75 C ATOM 436 CZ PHE A 29 -14.061 6.294 -5.928 1.00 6.37 C ATOM 0 H PHE A 29 -14.413 7.358 -10.280 1.00 0.02 H new ATOM 0 HA PHE A 29 -16.879 5.990 -11.305 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -16.536 4.392 -9.554 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -14.975 4.622 -10.317 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -13.341 6.315 -9.252 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -16.838 4.840 -7.240 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -12.373 6.991 -7.072 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -15.869 5.513 -5.062 1.00 5.75 H new ATOM 0 HZ PHE A 29 -13.640 6.587 -4.978 1.00 6.37 H new ATOM 446 N ARG A 30 -16.937 8.461 -9.516 1.00 0.01 N ATOM 447 CA ARG A 30 -17.733 9.368 -8.641 1.00 0.00 C ATOM 448 C ARG A 30 -19.222 9.287 -8.983 1.00 0.01 C ATOM 449 O ARG A 30 -20.065 9.601 -8.166 1.00 0.02 O ATOM 450 CB ARG A 30 -17.257 10.811 -8.839 1.00 0.32 C ATOM 451 CG ARG A 30 -15.777 10.943 -8.435 1.00 0.86 C ATOM 452 CD ARG A 30 -15.651 11.127 -6.917 1.00 1.62 C ATOM 453 NE ARG A 30 -14.235 11.431 -6.571 1.00 2.25 N ATOM 454 CZ ARG A 30 -13.940 11.912 -5.393 1.00 2.70 C ATOM 455 NH1 ARG A 30 -14.886 12.116 -4.517 1.00 3.11 N ATOM 456 NH2 ARG A 30 -12.701 12.186 -5.090 1.00 3.02 N ATOM 0 H ARG A 30 -16.214 8.924 -10.067 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.591 9.059 -7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -17.385 11.104 -9.881 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -17.867 11.488 -8.241 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -15.228 10.055 -8.747 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -15.327 11.792 -8.949 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -16.300 11.936 -6.583 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -15.977 10.223 -6.402 1.00 1.62 H new ATOM 0 HE ARG A 30 -13.496 11.264 -7.254 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -15.855 11.900 -4.753 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -14.657 12.492 -3.597 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -11.961 12.025 -5.773 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -12.472 12.562 -4.170 1.00 3.02 H new ATOM 470 N SER A 31 -19.569 8.890 -10.180 1.00 0.02 N ATOM 471 CA SER A 31 -21.013 8.823 -10.552 1.00 0.02 C ATOM 472 C SER A 31 -21.674 7.616 -9.885 1.00 0.01 C ATOM 473 O SER A 31 -22.884 7.522 -9.810 1.00 0.02 O ATOM 474 CB SER A 31 -21.138 8.694 -12.071 1.00 0.37 C ATOM 475 OG SER A 31 -20.527 9.819 -12.692 1.00 0.88 O ATOM 0 H SER A 31 -18.917 8.610 -10.913 1.00 0.02 H new ATOM 0 HA SER A 31 -21.510 9.732 -10.214 1.00 0.02 H new ATOM 0 HB2 SER A 31 -20.661 7.774 -12.410 1.00 0.37 H new ATOM 0 HB3 SER A 31 -22.188 8.633 -12.357 1.00 0.37 H new ATOM 0 HG SER A 31 -20.604 9.737 -13.666 1.00 0.88 H new ATOM 481 N TYR A 32 -20.885 6.683 -9.415 1.00 0.01 N ATOM 482 CA TYR A 32 -21.451 5.459 -8.766 1.00 0.01 C ATOM 483 C TYR A 32 -21.295 5.564 -7.251 1.00 0.02 C ATOM 484 O TYR A 32 -21.992 4.909 -6.502 1.00 0.02 O ATOM 485 CB TYR A 32 -20.680 4.237 -9.264 1.00 0.02 C ATOM 486 CG TYR A 32 -20.926 4.052 -10.742 1.00 0.02 C ATOM 487 CD1 TYR A 32 -20.114 4.709 -11.675 1.00 0.01 C ATOM 488 CD2 TYR A 32 -21.968 3.226 -11.180 1.00 0.01 C ATOM 489 CE1 TYR A 32 -20.343 4.539 -13.047 1.00 0.00 C ATOM 490 CE2 TYR A 32 -22.198 3.056 -12.550 1.00 0.02 C ATOM 491 CZ TYR A 32 -21.386 3.712 -13.483 1.00 0.02 C ATOM 492 OH TYR A 32 -21.612 3.545 -14.834 1.00 0.02 O ATOM 0 H TYR A 32 -19.866 6.716 -9.453 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.508 5.366 -9.016 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.614 4.365 -9.076 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -20.996 3.348 -8.718 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -19.311 5.347 -11.337 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -22.595 2.720 -10.461 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -19.716 5.045 -13.767 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -23.002 2.419 -12.888 1.00 0.02 H new ATOM 0 HH TYR A 32 -22.371 2.940 -14.966 1.00 0.02 H new ATOM 502 N LEU A 33 -20.377 6.370 -6.787 1.00 0.02 N ATOM 503 CA LEU A 33 -20.169 6.502 -5.312 1.00 0.02 C ATOM 504 C LEU A 33 -19.649 7.916 -5.000 1.00 0.02 C ATOM 505 O LEU A 33 -18.712 8.401 -5.603 1.00 0.02 O ATOM 506 CB LEU A 33 -19.125 5.452 -4.869 1.00 1.66 C ATOM 507 CG LEU A 33 -19.488 4.878 -3.484 1.00 2.38 C ATOM 508 CD1 LEU A 33 -20.807 4.071 -3.556 1.00 3.32 C ATOM 509 CD2 LEU A 33 -18.352 3.966 -3.003 1.00 2.80 C ATOM 0 H LEU A 33 -19.762 6.943 -7.364 1.00 0.02 H new ATOM 0 HA LEU A 33 -21.106 6.340 -4.779 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -19.078 4.646 -5.602 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -18.136 5.908 -4.832 1.00 1.66 H new ATOM 0 HG LEU A 33 -19.625 5.703 -2.785 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -21.045 3.675 -2.569 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -21.614 4.723 -3.890 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -20.691 3.247 -4.260 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -18.603 3.557 -2.024 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -18.215 3.150 -3.713 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -17.429 4.542 -2.930 1.00 2.80 H new ATOM 521 N SER A 34 -20.285 8.576 -4.068 1.00 0.02 N ATOM 522 CA SER A 34 -19.878 9.967 -3.707 1.00 0.02 C ATOM 523 C SER A 34 -18.745 9.959 -2.673 1.00 0.00 C ATOM 524 O SER A 34 -18.152 10.980 -2.388 1.00 0.01 O ATOM 525 CB SER A 34 -21.088 10.698 -3.124 1.00 0.02 C ATOM 526 OG SER A 34 -22.034 10.939 -4.156 1.00 0.02 O ATOM 0 H SER A 34 -21.075 8.209 -3.537 1.00 0.02 H new ATOM 0 HA SER A 34 -19.520 10.472 -4.604 1.00 0.02 H new ATOM 0 HB2 SER A 34 -21.541 10.101 -2.332 1.00 0.02 H new ATOM 0 HB3 SER A 34 -20.776 11.640 -2.674 1.00 0.02 H new ATOM 0 HG SER A 34 -22.811 11.406 -3.785 1.00 0.02 H new ATOM 532 N ARG A 35 -18.432 8.824 -2.110 1.00 0.02 N ATOM 533 CA ARG A 35 -17.335 8.752 -1.099 1.00 0.01 C ATOM 534 C ARG A 35 -17.072 7.277 -0.794 1.00 0.02 C ATOM 535 O ARG A 35 -17.892 6.428 -1.079 1.00 0.02 O ATOM 536 CB ARG A 35 -17.765 9.471 0.182 1.00 0.02 C ATOM 537 CG ARG A 35 -19.150 8.978 0.603 1.00 0.02 C ATOM 538 CD ARG A 35 -19.587 9.707 1.875 1.00 0.02 C ATOM 539 NE ARG A 35 -19.647 11.173 1.611 1.00 0.02 N ATOM 540 CZ ARG A 35 -20.272 11.961 2.441 1.00 0.02 C ATOM 541 NH1 ARG A 35 -20.843 11.467 3.507 1.00 0.00 N ATOM 542 NH2 ARG A 35 -20.326 13.243 2.207 1.00 0.02 N ATOM 0 H ARG A 35 -18.892 7.935 -2.308 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.434 9.229 -1.483 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -17.043 9.283 0.977 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -17.785 10.548 0.018 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -19.869 9.156 -0.196 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -19.127 7.902 0.777 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -20.563 9.344 2.198 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -18.887 9.501 2.684 1.00 0.02 H new ATOM 0 HE ARG A 35 -19.199 11.560 0.780 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -20.800 10.465 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -21.332 12.084 4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -19.879 13.629 1.375 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -20.815 13.860 2.856 1.00 0.02 H new ATOM 556 N CYS A 36 -15.946 6.952 -0.206 1.00 0.02 N ATOM 557 CA CYS A 36 -15.651 5.524 0.126 1.00 0.02 C ATOM 558 C CYS A 36 -14.908 5.469 1.463 1.00 0.02 C ATOM 559 O CYS A 36 -13.809 5.978 1.570 1.00 0.02 O ATOM 560 CB CYS A 36 -14.769 4.921 -0.967 1.00 0.02 C ATOM 561 SG CYS A 36 -13.410 6.056 -1.329 1.00 0.02 S ATOM 0 H CYS A 36 -15.218 7.616 0.058 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.581 4.960 0.194 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -14.377 3.957 -0.644 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -15.357 4.740 -1.867 1.00 0.02 H new ATOM 0 HG CYS A 36 -12.911 6.505 -0.216 1.00 0.02 H new ATOM 567 N ASN A 37 -15.484 4.888 2.494 1.00 0.02 N ATOM 568 CA ASN A 37 -14.783 4.853 3.824 1.00 0.01 C ATOM 569 C ASN A 37 -14.269 3.444 4.133 1.00 0.02 C ATOM 570 O ASN A 37 -13.680 3.194 5.167 1.00 0.02 O ATOM 571 CB ASN A 37 -15.748 5.287 4.931 1.00 0.02 C ATOM 572 CG ASN A 37 -16.268 6.696 4.635 1.00 0.01 C ATOM 573 OD1 ASN A 37 -16.309 7.112 3.494 1.00 0.03 O ATOM 574 ND2 ASN A 37 -16.666 7.453 5.622 1.00 0.02 N ATOM 0 H ASN A 37 -16.400 4.440 2.474 1.00 0.02 H new ATOM 0 HA ASN A 37 -13.935 5.537 3.779 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.581 4.587 4.996 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -15.242 5.271 5.896 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -17.012 8.394 5.435 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -16.631 7.103 6.579 1.00 0.02 H new ATOM 581 N SER A 38 -14.468 2.530 3.223 1.00 0.02 N ATOM 582 CA SER A 38 -13.980 1.136 3.416 1.00 0.02 C ATOM 583 C SER A 38 -13.818 0.504 2.035 1.00 0.01 C ATOM 584 O SER A 38 -14.453 0.911 1.082 1.00 0.02 O ATOM 585 CB SER A 38 -14.977 0.329 4.253 1.00 0.01 C ATOM 586 OG SER A 38 -14.358 -0.874 4.690 1.00 0.02 O ATOM 0 H SER A 38 -14.955 2.693 2.342 1.00 0.02 H new ATOM 0 HA SER A 38 -13.028 1.141 3.947 1.00 0.02 H new ATOM 0 HB2 SER A 38 -15.307 0.914 5.111 1.00 0.01 H new ATOM 0 HB3 SER A 38 -15.865 0.101 3.663 1.00 0.01 H new ATOM 0 HG SER A 38 -13.427 -0.893 4.384 1.00 0.02 H new ATOM 592 N ILE A 39 -12.958 -0.473 1.903 1.00 0.02 N ATOM 593 CA ILE A 39 -12.744 -1.101 0.560 1.00 0.02 C ATOM 594 C ILE A 39 -12.428 -2.591 0.713 1.00 0.02 C ATOM 595 O ILE A 39 -11.787 -3.016 1.653 1.00 0.02 O ATOM 596 CB ILE A 39 -11.554 -0.420 -0.127 1.00 0.00 C ATOM 597 CG1 ILE A 39 -11.684 1.101 0.012 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.535 -0.799 -1.610 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.588 1.791 -0.805 1.00 0.00 C ATOM 0 H ILE A 39 -12.397 -0.863 2.660 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.651 -0.982 -0.033 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.627 -0.748 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.666 1.424 -0.333 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -11.604 1.388 1.061 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.689 -0.315 -2.098 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -11.440 -1.880 -1.708 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.462 -0.472 -2.081 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -10.684 2.872 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.610 1.478 -0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.688 1.515 -1.855 1.00 0.00 H new ATOM 611 N ARG A 40 -12.848 -3.372 -0.251 1.00 0.02 N ATOM 612 CA ARG A 40 -12.559 -4.838 -0.247 1.00 0.02 C ATOM 613 C ARG A 40 -11.859 -5.188 -1.563 1.00 0.01 C ATOM 614 O ARG A 40 -12.392 -4.945 -2.626 1.00 0.02 O ATOM 615 CB ARG A 40 -13.853 -5.651 -0.140 1.00 0.01 C ATOM 616 CG ARG A 40 -13.517 -7.116 0.150 1.00 0.02 C ATOM 617 CD ARG A 40 -14.809 -7.896 0.402 1.00 0.02 C ATOM 618 NE ARG A 40 -15.496 -7.344 1.605 1.00 0.02 N ATOM 619 CZ ARG A 40 -16.744 -7.643 1.838 1.00 0.02 C ATOM 620 NH1 ARG A 40 -17.391 -8.423 1.018 1.00 0.02 N ATOM 621 NH2 ARG A 40 -17.344 -7.161 2.894 1.00 0.02 N ATOM 0 H ARG A 40 -13.388 -3.049 -1.054 1.00 0.02 H new ATOM 0 HA ARG A 40 -11.930 -5.078 0.610 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.483 -5.248 0.653 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.420 -5.574 -1.068 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -12.976 -7.549 -0.691 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -12.863 -7.185 1.019 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -15.463 -7.827 -0.467 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -14.586 -8.953 0.550 1.00 0.02 H new ATOM 0 HE ARG A 40 -14.990 -6.733 2.246 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -16.921 -8.799 0.195 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -18.367 -8.657 1.200 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -16.836 -6.551 3.535 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -18.320 -7.394 3.077 1.00 0.02 H new ATOM 635 N VAL A 41 -10.703 -5.797 -1.507 1.00 0.02 N ATOM 636 CA VAL A 41 -10.004 -6.216 -2.763 1.00 0.01 C ATOM 637 C VAL A 41 -10.128 -7.734 -2.862 1.00 0.02 C ATOM 638 O VAL A 41 -9.627 -8.461 -2.029 1.00 0.02 O ATOM 639 CB VAL A 41 -8.538 -5.790 -2.717 1.00 0.01 C ATOM 640 CG1 VAL A 41 -7.881 -6.094 -4.066 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.467 -4.286 -2.457 1.00 0.00 C ATOM 0 H VAL A 41 -10.210 -6.024 -0.643 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.451 -5.742 -3.637 1.00 0.01 H new ATOM 0 HB VAL A 41 -8.021 -6.332 -1.925 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.834 -5.791 -4.037 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.944 -7.163 -4.269 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.396 -5.544 -4.854 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.424 -3.972 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.980 -3.754 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.946 -4.058 -1.505 1.00 0.00 H new ATOM 651 N GLU A 42 -10.821 -8.214 -3.859 1.00 0.01 N ATOM 652 CA GLU A 42 -11.015 -9.687 -3.992 1.00 0.01 C ATOM 653 C GLU A 42 -9.818 -10.334 -4.687 1.00 0.02 C ATOM 654 O GLU A 42 -9.465 -11.459 -4.390 1.00 0.01 O ATOM 655 CB GLU A 42 -12.285 -9.963 -4.797 1.00 0.99 C ATOM 656 CG GLU A 42 -12.680 -11.434 -4.643 1.00 1.86 C ATOM 657 CD GLU A 42 -13.799 -11.769 -5.631 1.00 3.10 C ATOM 658 OE1 GLU A 42 -14.113 -10.920 -6.449 1.00 3.81 O ATOM 659 OE2 GLU A 42 -14.323 -12.868 -5.555 1.00 3.67 O ATOM 0 H GLU A 42 -11.261 -7.651 -4.587 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.108 -10.116 -2.994 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -13.094 -9.320 -4.451 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.120 -9.728 -5.849 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -11.817 -12.074 -4.825 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -13.011 -11.628 -3.623 1.00 1.86 H new ATOM 666 N GLY A 43 -9.191 -9.661 -5.613 1.00 0.01 N ATOM 667 CA GLY A 43 -8.033 -10.291 -6.300 1.00 0.02 C ATOM 668 C GLY A 43 -7.205 -9.245 -7.045 1.00 0.02 C ATOM 669 O GLY A 43 -7.713 -8.231 -7.476 1.00 0.02 O ATOM 0 H GLY A 43 -9.427 -8.717 -5.919 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.407 -10.803 -5.570 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.388 -11.046 -7.001 1.00 0.02 H new ATOM 673 N GLY A 44 -5.937 -9.491 -7.216 1.00 0.00 N ATOM 674 CA GLY A 44 -5.091 -8.512 -7.955 1.00 0.01 C ATOM 675 C GLY A 44 -4.623 -7.395 -7.017 1.00 0.01 C ATOM 676 O GLY A 44 -5.063 -7.286 -5.890 1.00 0.01 O ATOM 0 H GLY A 44 -5.451 -10.322 -6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.228 -9.020 -8.385 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -5.656 -8.086 -8.784 1.00 0.01 H new ATOM 680 N THR A 45 -3.758 -6.543 -7.506 1.00 0.01 N ATOM 681 CA THR A 45 -3.264 -5.386 -6.693 1.00 0.00 C ATOM 682 C THR A 45 -3.656 -4.099 -7.423 1.00 0.01 C ATOM 683 O THR A 45 -3.554 -4.020 -8.631 1.00 0.01 O ATOM 684 CB THR A 45 -1.738 -5.466 -6.569 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.391 -6.586 -5.764 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.202 -4.186 -5.924 1.00 1.48 C ATOM 0 H THR A 45 -3.367 -6.599 -8.446 1.00 0.01 H new ATOM 0 HA THR A 45 -3.700 -5.403 -5.694 1.00 0.00 H new ATOM 0 HB THR A 45 -1.299 -5.577 -7.561 1.00 0.73 H new ATOM 0 HG1 THR A 45 -0.416 -6.642 -5.684 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.117 -4.248 -5.838 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.469 -3.328 -6.542 1.00 1.48 H new ATOM 0 HG23 THR A 45 -1.638 -4.068 -4.932 1.00 1.48 H new ATOM 694 N TRP A 46 -4.175 -3.114 -6.722 1.00 0.02 N ATOM 695 CA TRP A 46 -4.644 -1.863 -7.412 1.00 0.01 C ATOM 696 C TRP A 46 -4.025 -0.604 -6.803 1.00 0.01 C ATOM 697 O TRP A 46 -3.675 -0.545 -5.641 1.00 0.01 O ATOM 698 CB TRP A 46 -6.165 -1.768 -7.279 1.00 0.00 C ATOM 699 CG TRP A 46 -6.801 -2.940 -7.953 1.00 0.01 C ATOM 700 CD1 TRP A 46 -6.685 -4.225 -7.549 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.649 -2.957 -9.137 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.407 -5.030 -8.412 1.00 0.00 N ATOM 703 CE2 TRP A 46 -8.020 -4.295 -9.407 1.00 0.01 C ATOM 704 CE3 TRP A 46 -8.130 -1.951 -9.994 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -8.837 -4.623 -10.489 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -8.952 -2.277 -11.084 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.306 -3.612 -11.330 1.00 0.01 C ATOM 0 H TRP A 46 -4.294 -3.121 -5.709 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.337 -1.922 -8.456 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.447 -1.744 -6.226 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.522 -0.840 -7.726 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.121 -4.567 -6.693 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.478 -6.044 -8.324 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.865 -0.920 -9.812 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -9.105 -5.653 -10.675 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -9.314 -1.496 -11.737 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -9.940 -3.857 -12.169 1.00 0.01 H new ATOM 718 N ALA A 47 -3.957 0.429 -7.603 1.00 0.01 N ATOM 719 CA ALA A 47 -3.445 1.751 -7.141 1.00 0.01 C ATOM 720 C ALA A 47 -4.661 2.672 -7.094 1.00 0.01 C ATOM 721 O ALA A 47 -5.442 2.723 -8.023 1.00 0.01 O ATOM 722 CB ALA A 47 -2.407 2.288 -8.131 1.00 0.24 C ATOM 0 H ALA A 47 -4.243 0.409 -8.582 1.00 0.01 H new ATOM 0 HA ALA A 47 -2.959 1.680 -6.168 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -2.039 3.254 -7.784 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.575 1.587 -8.202 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -2.867 2.406 -9.112 1.00 0.24 H new ATOM 728 N VAL A 48 -4.813 3.417 -6.029 1.00 0.01 N ATOM 729 CA VAL A 48 -5.967 4.366 -5.917 1.00 0.02 C ATOM 730 C VAL A 48 -5.429 5.794 -5.807 1.00 0.01 C ATOM 731 O VAL A 48 -4.407 6.028 -5.192 1.00 0.01 O ATOM 732 CB VAL A 48 -6.802 4.025 -4.681 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.405 2.629 -4.844 1.00 0.48 C ATOM 734 CG2 VAL A 48 -5.911 4.053 -3.436 1.00 0.65 C ATOM 0 H VAL A 48 -4.184 3.410 -5.226 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.599 4.281 -6.801 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.602 4.757 -4.571 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -8.000 2.385 -3.964 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -8.041 2.608 -5.729 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.604 1.898 -4.955 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.507 3.810 -2.556 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.110 3.322 -3.545 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.480 5.048 -3.319 1.00 0.65 H new ATOM 744 N TYR A 49 -6.101 6.746 -6.411 1.00 0.01 N ATOM 745 CA TYR A 49 -5.624 8.168 -6.361 1.00 0.01 C ATOM 746 C TYR A 49 -6.697 9.062 -5.739 1.00 0.01 C ATOM 747 O TYR A 49 -7.885 8.833 -5.861 1.00 0.02 O ATOM 748 CB TYR A 49 -5.318 8.643 -7.782 1.00 0.01 C ATOM 749 CG TYR A 49 -4.178 7.829 -8.346 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.421 6.548 -8.857 1.00 0.01 C ATOM 751 CD2 TYR A 49 -2.879 8.355 -8.360 1.00 0.01 C ATOM 752 CE1 TYR A 49 -3.366 5.794 -9.383 1.00 0.01 C ATOM 753 CE2 TYR A 49 -1.824 7.599 -8.886 1.00 0.01 C ATOM 754 CZ TYR A 49 -2.067 6.318 -9.397 1.00 0.02 C ATOM 755 OH TYR A 49 -1.027 5.573 -9.914 1.00 0.01 O ATOM 0 H TYR A 49 -6.962 6.600 -6.938 1.00 0.01 H new ATOM 0 HA TYR A 49 -4.723 8.225 -5.750 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.202 8.537 -8.411 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -5.056 9.701 -7.776 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.422 6.142 -8.845 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.692 9.343 -7.965 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -3.554 4.807 -9.779 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -0.823 8.004 -8.898 1.00 0.01 H new ATOM 0 HH TYR A 49 -0.194 6.085 -9.848 1.00 0.01 H new ATOM 765 N GLU A 50 -6.252 10.066 -5.027 1.00 0.01 N ATOM 766 CA GLU A 50 -7.184 10.991 -4.324 1.00 0.01 C ATOM 767 C GLU A 50 -8.014 11.803 -5.321 1.00 0.01 C ATOM 768 O GLU A 50 -9.157 12.115 -5.052 1.00 0.02 O ATOM 769 CB GLU A 50 -6.355 11.953 -3.467 1.00 0.02 C ATOM 770 CG GLU A 50 -7.270 12.732 -2.511 1.00 0.01 C ATOM 771 CD GLU A 50 -7.595 11.877 -1.282 1.00 0.02 C ATOM 772 OE1 GLU A 50 -7.476 10.666 -1.377 1.00 0.01 O ATOM 773 OE2 GLU A 50 -7.954 12.449 -0.266 1.00 0.02 O ATOM 0 H GLU A 50 -5.264 10.285 -4.903 1.00 0.01 H new ATOM 0 HA GLU A 50 -7.866 10.404 -3.708 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -5.611 11.396 -2.897 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -5.811 12.647 -4.108 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -6.783 13.657 -2.202 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -8.191 13.012 -3.023 1.00 0.01 H new ATOM 780 N ARG A 51 -7.455 12.176 -6.454 1.00 0.02 N ATOM 781 CA ARG A 51 -8.231 13.003 -7.442 1.00 0.02 C ATOM 782 C ARG A 51 -8.224 12.303 -8.820 1.00 0.01 C ATOM 783 O ARG A 51 -7.354 11.495 -9.101 1.00 0.02 O ATOM 784 CB ARG A 51 -7.543 14.385 -7.548 1.00 0.02 C ATOM 785 CG ARG A 51 -8.214 15.389 -6.603 1.00 0.01 C ATOM 786 CD ARG A 51 -7.434 16.707 -6.621 1.00 0.02 C ATOM 787 NE ARG A 51 -6.009 16.445 -6.275 1.00 0.02 N ATOM 788 CZ ARG A 51 -5.102 17.354 -6.515 1.00 0.02 C ATOM 789 NH1 ARG A 51 -5.445 18.490 -7.059 1.00 0.02 N ATOM 790 NH2 ARG A 51 -3.855 17.127 -6.209 1.00 0.01 N ATOM 0 H ARG A 51 -6.502 11.945 -6.736 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.265 13.120 -7.117 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -6.486 14.292 -7.299 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -7.598 14.748 -8.574 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.246 15.560 -6.910 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.246 14.987 -5.591 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -7.501 17.168 -7.606 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -7.869 17.409 -5.910 1.00 0.02 H new ATOM 0 HE ARG A 51 -5.742 15.557 -5.851 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -6.421 18.668 -7.296 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -4.737 19.200 -7.247 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -3.588 16.240 -5.782 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -3.147 17.837 -6.396 1.00 0.01 H new ATOM 804 N PRO A 52 -9.188 12.614 -9.673 1.00 0.02 N ATOM 805 CA PRO A 52 -9.274 11.986 -11.025 1.00 0.02 C ATOM 806 C PRO A 52 -7.976 12.116 -11.829 1.00 0.01 C ATOM 807 O PRO A 52 -7.090 12.885 -11.515 1.00 0.02 O ATOM 808 CB PRO A 52 -10.436 12.760 -11.690 1.00 0.02 C ATOM 809 CG PRO A 52 -10.893 13.871 -10.726 1.00 0.01 C ATOM 810 CD PRO A 52 -10.261 13.606 -9.353 1.00 0.01 C ATOM 0 HA PRO A 52 -9.438 10.910 -10.972 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -10.112 13.190 -12.638 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.263 12.086 -11.912 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -10.590 14.848 -11.102 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -11.980 13.883 -10.648 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -9.853 14.516 -8.912 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -10.985 13.205 -8.644 1.00 0.01 H new ATOM 818 N ASN A 53 -7.910 11.367 -12.896 1.00 0.02 N ATOM 819 CA ASN A 53 -6.731 11.409 -13.803 1.00 0.02 C ATOM 820 C ASN A 53 -5.467 10.940 -13.087 1.00 0.01 C ATOM 821 O ASN A 53 -4.380 11.427 -13.324 1.00 0.01 O ATOM 822 CB ASN A 53 -6.542 12.840 -14.317 1.00 0.01 C ATOM 823 CG ASN A 53 -5.651 12.828 -15.563 1.00 0.02 C ATOM 824 OD1 ASN A 53 -6.133 12.968 -16.670 1.00 0.02 O ATOM 825 ND2 ASN A 53 -4.364 12.667 -15.427 1.00 0.01 N ATOM 0 H ASN A 53 -8.640 10.715 -13.182 1.00 0.02 H new ATOM 0 HA ASN A 53 -6.910 10.735 -14.640 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.510 13.282 -14.554 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -6.091 13.459 -13.541 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -3.761 12.659 -16.250 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -3.960 12.550 -14.498 1.00 0.01 H new ATOM 832 N PHE A 54 -5.611 9.967 -12.228 1.00 0.02 N ATOM 833 CA PHE A 54 -4.439 9.414 -11.496 1.00 0.01 C ATOM 834 C PHE A 54 -3.556 10.544 -10.963 1.00 0.01 C ATOM 835 O PHE A 54 -2.361 10.575 -11.180 1.00 0.02 O ATOM 836 CB PHE A 54 -3.635 8.509 -12.446 1.00 1.78 C ATOM 837 CG PHE A 54 -4.580 7.821 -13.410 1.00 2.32 C ATOM 838 CD1 PHE A 54 -5.598 6.993 -12.919 1.00 2.53 C ATOM 839 CD2 PHE A 54 -4.443 8.015 -14.792 1.00 2.77 C ATOM 840 CE1 PHE A 54 -6.474 6.358 -13.808 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.320 7.380 -15.680 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.335 6.551 -15.187 1.00 3.39 C ATOM 0 H PHE A 54 -6.503 9.527 -12.001 1.00 0.02 H new ATOM 0 HA PHE A 54 -4.788 8.830 -10.645 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -2.904 9.101 -12.997 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.078 7.767 -11.874 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -5.707 6.844 -11.855 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -3.660 8.655 -15.172 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.258 5.719 -13.429 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -5.214 7.530 -16.744 1.00 3.32 H new ATOM 0 HZ PHE A 54 -7.011 6.060 -15.871 1.00 3.39 H new ATOM 852 N SER A 55 -4.160 11.475 -10.260 1.00 0.02 N ATOM 853 CA SER A 55 -3.394 12.631 -9.688 1.00 0.02 C ATOM 854 C SER A 55 -3.653 12.729 -8.181 1.00 0.01 C ATOM 855 O SER A 55 -4.581 12.139 -7.661 1.00 0.01 O ATOM 856 CB SER A 55 -3.856 13.920 -10.365 1.00 1.90 C ATOM 857 OG SER A 55 -5.236 14.121 -10.096 1.00 2.33 O ATOM 0 H SER A 55 -5.159 11.483 -10.056 1.00 0.02 H new ATOM 0 HA SER A 55 -2.328 12.482 -9.861 1.00 0.02 H new ATOM 0 HB2 SER A 55 -3.275 14.766 -9.998 1.00 1.90 H new ATOM 0 HB3 SER A 55 -3.688 13.860 -11.440 1.00 1.90 H new ATOM 0 HG SER A 55 -5.772 13.586 -10.718 1.00 2.33 H new ATOM 863 N GLY A 56 -2.828 13.457 -7.470 1.00 0.02 N ATOM 864 CA GLY A 56 -3.015 13.580 -5.993 1.00 0.02 C ATOM 865 C GLY A 56 -2.280 12.438 -5.282 1.00 0.02 C ATOM 866 O GLY A 56 -1.401 11.814 -5.843 1.00 0.00 O ATOM 0 H GLY A 56 -2.033 13.971 -7.850 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -2.634 14.541 -5.647 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -4.077 13.551 -5.747 1.00 0.02 H new ATOM 870 N HIS A 57 -2.615 12.168 -4.049 1.00 0.02 N ATOM 871 CA HIS A 57 -1.914 11.079 -3.304 1.00 0.02 C ATOM 872 C HIS A 57 -2.234 9.718 -3.928 1.00 0.01 C ATOM 873 O HIS A 57 -3.358 9.452 -4.303 1.00 0.01 O ATOM 874 CB HIS A 57 -2.369 11.094 -1.844 1.00 0.00 C ATOM 875 CG HIS A 57 -1.823 12.318 -1.162 1.00 0.01 C ATOM 876 ND1 HIS A 57 -0.976 12.239 -0.065 1.00 0.01 N ATOM 877 CD2 HIS A 57 -1.993 13.658 -1.407 1.00 0.01 C ATOM 878 CE1 HIS A 57 -0.673 13.497 0.303 1.00 0.02 C ATOM 879 NE2 HIS A 57 -1.266 14.401 -0.480 1.00 0.01 N ATOM 0 H HIS A 57 -3.343 12.653 -3.525 1.00 0.02 H new ATOM 0 HA HIS A 57 -0.838 11.245 -3.357 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.458 11.090 -1.791 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.022 10.195 -1.334 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.599 14.073 -2.199 1.00 0.01 H new ATOM 0 HE1 HIS A 57 -0.027 13.746 1.132 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -1.201 15.417 -0.414 1.00 0.01 H new ATOM 887 N MET A 58 -1.248 8.852 -4.035 1.00 0.02 N ATOM 888 CA MET A 58 -1.474 7.492 -4.631 1.00 0.02 C ATOM 889 C MET A 58 -1.162 6.411 -3.589 1.00 0.01 C ATOM 890 O MET A 58 -0.195 6.497 -2.859 1.00 0.01 O ATOM 891 CB MET A 58 -0.549 7.311 -5.837 1.00 2.61 C ATOM 892 CG MET A 58 0.909 7.363 -5.375 1.00 3.46 C ATOM 893 SD MET A 58 1.989 7.541 -6.814 1.00 4.50 S ATOM 894 CE MET A 58 2.230 5.777 -7.135 1.00 5.01 C ATOM 0 H MET A 58 -0.290 9.031 -3.733 1.00 0.02 H new ATOM 0 HA MET A 58 -2.514 7.403 -4.944 1.00 0.02 H new ATOM 0 HB2 MET A 58 -0.753 6.358 -6.325 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.736 8.093 -6.573 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.056 8.199 -4.691 1.00 3.46 H new ATOM 0 HG3 MET A 58 1.161 6.455 -4.827 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.511 5.632 -8.178 1.00 5.01 H new ATOM 0 HE2 MET A 58 3.021 5.394 -6.490 1.00 5.01 H new ATOM 0 HE3 MET A 58 1.304 5.240 -6.931 1.00 5.01 H new ATOM 904 N TYR A 59 -1.984 5.394 -3.519 1.00 0.02 N ATOM 905 CA TYR A 59 -1.766 4.283 -2.531 1.00 0.01 C ATOM 906 C TYR A 59 -1.924 2.928 -3.229 1.00 0.01 C ATOM 907 O TYR A 59 -2.819 2.721 -4.023 1.00 0.02 O ATOM 908 CB TYR A 59 -2.806 4.384 -1.415 1.00 0.01 C ATOM 909 CG TYR A 59 -2.749 5.758 -0.791 1.00 0.01 C ATOM 910 CD1 TYR A 59 -3.458 6.817 -1.367 1.00 0.01 C ATOM 911 CD2 TYR A 59 -1.988 5.970 0.365 1.00 0.01 C ATOM 912 CE1 TYR A 59 -3.409 8.089 -0.787 1.00 0.01 C ATOM 913 CE2 TYR A 59 -1.937 7.242 0.945 1.00 0.02 C ATOM 914 CZ TYR A 59 -2.647 8.302 0.369 1.00 0.01 C ATOM 915 OH TYR A 59 -2.596 9.558 0.940 1.00 0.01 O ATOM 0 H TYR A 59 -2.808 5.282 -4.110 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.761 4.368 -2.117 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.802 4.196 -1.815 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.617 3.622 -0.659 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -4.043 6.653 -2.260 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -1.440 5.152 0.809 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -3.958 8.906 -1.230 1.00 0.01 H new ATOM 0 HE2 TYR A 59 -1.350 7.406 1.837 1.00 0.02 H new ATOM 0 HH TYR A 59 -2.024 9.533 1.735 1.00 0.01 H new ATOM 925 N ILE A 60 -1.052 1.999 -2.920 1.00 0.02 N ATOM 926 CA ILE A 60 -1.122 0.636 -3.533 1.00 0.01 C ATOM 927 C ILE A 60 -1.897 -0.292 -2.590 1.00 0.01 C ATOM 928 O ILE A 60 -1.644 -0.321 -1.402 1.00 0.01 O ATOM 929 CB ILE A 60 0.297 0.092 -3.733 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.184 1.177 -4.356 1.00 1.35 C ATOM 931 CG2 ILE A 60 0.252 -1.128 -4.656 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.502 1.761 -5.597 1.00 1.72 C ATOM 0 H ILE A 60 -0.285 2.130 -2.260 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.626 0.689 -4.498 1.00 0.01 H new ATOM 0 HB ILE A 60 0.711 -0.199 -2.768 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.372 1.967 -3.629 1.00 1.35 H new ATOM 0 HG13 ILE A 60 2.152 0.756 -4.627 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.261 -1.514 -4.798 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.373 -1.901 -4.208 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.165 -0.839 -5.621 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.138 2.531 -6.034 1.00 1.72 H new ATOM 0 HD12 ILE A 60 0.337 0.969 -6.328 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -0.455 2.199 -5.314 1.00 1.72 H new ATOM 944 N LEU A 61 -2.861 -1.023 -3.104 1.00 0.01 N ATOM 945 CA LEU A 61 -3.690 -1.927 -2.232 1.00 0.01 C ATOM 946 C LEU A 61 -3.563 -3.406 -2.694 1.00 0.01 C ATOM 947 O LEU A 61 -4.081 -3.758 -3.735 1.00 0.00 O ATOM 948 CB LEU A 61 -5.175 -1.473 -2.353 1.00 0.01 C ATOM 949 CG LEU A 61 -5.700 -0.931 -1.012 1.00 0.02 C ATOM 950 CD1 LEU A 61 -7.003 -0.165 -1.244 1.00 0.01 C ATOM 951 CD2 LEU A 61 -5.974 -2.095 -0.057 1.00 0.01 C ATOM 0 H LEU A 61 -3.112 -1.034 -4.093 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.343 -1.863 -1.201 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.262 -0.702 -3.119 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -5.790 -2.313 -2.675 1.00 0.01 H new ATOM 0 HG LEU A 61 -4.952 -0.267 -0.579 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.374 0.218 -0.293 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -6.820 0.667 -1.924 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.745 -0.833 -1.680 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -6.346 -1.708 0.892 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.720 -2.758 -0.496 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -5.052 -2.650 0.114 1.00 0.01 H new ATOM 963 N PRO A 62 -2.925 -4.287 -1.931 1.00 0.02 N ATOM 964 CA PRO A 62 -2.845 -5.722 -2.336 1.00 0.01 C ATOM 965 C PRO A 62 -4.177 -6.432 -2.035 1.00 0.00 C ATOM 966 O PRO A 62 -5.030 -5.894 -1.358 1.00 0.02 O ATOM 967 CB PRO A 62 -1.705 -6.250 -1.450 1.00 1.47 C ATOM 968 CG PRO A 62 -1.514 -5.259 -0.288 1.00 1.29 C ATOM 969 CD PRO A 62 -2.233 -3.944 -0.651 1.00 0.82 C ATOM 0 HA PRO A 62 -2.664 -5.881 -3.399 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.945 -7.243 -1.070 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -0.785 -6.344 -2.027 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -1.921 -5.672 0.635 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.453 -5.077 -0.115 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -2.939 -3.642 0.122 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.530 -3.121 -0.779 1.00 0.82 H new ATOM 977 N GLN A 63 -4.370 -7.625 -2.531 1.00 0.02 N ATOM 978 CA GLN A 63 -5.652 -8.343 -2.266 1.00 0.00 C ATOM 979 C GLN A 63 -5.925 -8.415 -0.760 1.00 0.00 C ATOM 980 O GLN A 63 -5.025 -8.610 0.032 1.00 0.02 O ATOM 981 CB GLN A 63 -5.561 -9.764 -2.839 1.00 1.27 C ATOM 982 CG GLN A 63 -4.391 -10.519 -2.192 1.00 1.67 C ATOM 983 CD GLN A 63 -4.816 -11.069 -0.827 1.00 2.43 C ATOM 984 OE1 GLN A 63 -4.136 -10.867 0.160 1.00 4.25 O ATOM 985 NE2 GLN A 63 -5.918 -11.761 -0.729 1.00 3.04 N ATOM 0 H GLN A 63 -3.698 -8.133 -3.107 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.468 -7.800 -2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.494 -10.298 -2.658 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -5.423 -9.721 -3.919 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -4.072 -11.336 -2.839 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -3.537 -9.852 -2.075 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -6.489 -11.931 -1.557 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -6.208 -12.132 0.176 1.00 3.04 H new ATOM 994 N GLY A 64 -7.161 -8.264 -0.349 1.00 0.02 N ATOM 995 CA GLY A 64 -7.465 -8.335 1.111 1.00 0.01 C ATOM 996 C GLY A 64 -8.748 -7.561 1.432 1.00 0.02 C ATOM 997 O GLY A 64 -9.406 -7.030 0.561 1.00 0.02 O ATOM 0 H GLY A 64 -7.964 -8.096 -0.956 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.576 -9.376 1.415 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.633 -7.923 1.682 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.106 -7.506 2.690 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.350 -6.781 3.109 1.00 0.02 C ATOM 1003 C GLU A 65 -9.989 -5.647 4.070 1.00 0.02 C ATOM 1004 O GLU A 65 -9.274 -5.833 5.036 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.280 -7.766 3.822 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.502 -7.019 4.358 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.570 -8.026 4.790 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -14.087 -8.718 3.927 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -13.856 -8.086 5.975 1.00 0.71 O ATOM 0 H GLU A 65 -8.586 -7.936 3.454 1.00 0.02 H new ATOM 0 HA GLU A 65 -10.844 -6.365 2.231 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.594 -8.550 3.133 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.751 -8.254 4.641 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.216 -6.392 5.203 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -12.902 -6.357 3.590 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.505 -4.471 3.809 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.242 -3.293 4.689 1.00 0.02 C ATOM 1018 C TYR A 66 -11.598 -2.757 5.193 1.00 0.02 C ATOM 1019 O TYR A 66 -12.255 -2.008 4.492 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.549 -2.216 3.852 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.249 -2.771 3.322 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.249 -3.591 2.188 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -7.045 -2.473 3.969 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -7.046 -4.112 1.700 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -5.840 -2.995 3.483 1.00 0.02 C ATOM 1026 CZ TYR A 66 -5.840 -3.815 2.348 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.655 -4.331 1.868 1.00 0.01 O ATOM 0 H TYR A 66 -11.107 -4.276 3.009 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.613 -3.568 5.535 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.192 -1.908 3.027 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.361 -1.330 4.458 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -9.179 -3.822 1.689 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -7.045 -1.840 4.844 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -7.047 -4.743 0.824 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -4.911 -2.765 3.983 1.00 0.02 H new ATOM 0 HH TYR A 66 -3.914 -4.027 2.432 1.00 0.01 H new ATOM 1037 N PRO A 67 -12.038 -3.140 6.380 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.354 -2.664 6.896 1.00 0.02 C ATOM 1039 C PRO A 67 -13.390 -1.157 7.204 1.00 0.02 C ATOM 1040 O PRO A 67 -14.426 -0.626 7.548 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.548 -3.506 8.177 1.00 0.02 C ATOM 1042 CG PRO A 67 -12.299 -4.391 8.380 1.00 0.02 C ATOM 1043 CD PRO A 67 -11.282 -4.069 7.270 1.00 0.01 C ATOM 0 HA PRO A 67 -14.146 -2.789 6.158 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.694 -2.855 9.039 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.441 -4.126 8.091 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -11.860 -4.206 9.360 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.573 -5.445 8.347 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.382 -3.601 7.670 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -10.965 -4.967 6.740 1.00 0.01 H new ATOM 1051 N GLU A 68 -12.296 -0.456 7.071 1.00 0.01 N ATOM 1052 CA GLU A 68 -12.326 1.010 7.347 1.00 0.01 C ATOM 1053 C GLU A 68 -11.155 1.658 6.606 1.00 0.03 C ATOM 1054 O GLU A 68 -10.179 1.019 6.272 1.00 0.02 O ATOM 1055 CB GLU A 68 -12.175 1.271 8.852 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.437 0.821 9.591 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.439 1.407 11.004 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -13.296 2.613 11.126 1.00 1.55 O ATOM 1059 OE2 GLU A 68 -13.582 0.639 11.942 1.00 2.02 O ATOM 0 H GLU A 68 -11.391 -0.830 6.786 1.00 0.01 H new ATOM 0 HA GLU A 68 -13.276 1.428 7.013 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.308 0.735 9.237 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -11.999 2.332 9.029 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -14.324 1.148 9.049 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -13.475 -0.267 9.637 1.00 1.09 H new ATOM 1066 N TYR A 69 -11.281 2.919 6.306 1.00 0.02 N ATOM 1067 CA TYR A 69 -10.218 3.614 5.530 1.00 0.02 C ATOM 1068 C TYR A 69 -8.870 3.597 6.256 1.00 0.01 C ATOM 1069 O TYR A 69 -7.829 3.448 5.646 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.658 5.051 5.234 1.00 0.02 C ATOM 1071 CG TYR A 69 -10.818 5.814 6.526 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -11.987 5.673 7.284 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -9.797 6.664 6.968 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -12.137 6.387 8.479 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -9.946 7.376 8.162 1.00 0.02 C ATOM 1076 CZ TYR A 69 -11.115 7.236 8.919 1.00 0.02 C ATOM 1077 OH TYR A 69 -11.261 7.937 10.098 1.00 0.01 O ATOM 0 H TYR A 69 -12.078 3.501 6.566 1.00 0.02 H new ATOM 0 HA TYR A 69 -10.076 3.076 4.592 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -9.921 5.543 4.599 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -11.599 5.047 4.685 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.773 5.013 6.947 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -8.893 6.770 6.386 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -13.041 6.283 9.061 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -9.159 8.034 8.500 1.00 0.02 H new ATOM 0 HH TYR A 69 -10.460 8.479 10.258 1.00 0.01 H new ATOM 1087 N GLN A 70 -8.874 3.758 7.552 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.592 3.753 8.317 1.00 0.02 C ATOM 1089 C GLN A 70 -6.871 2.410 8.142 1.00 0.01 C ATOM 1090 O GLN A 70 -5.669 2.310 8.293 1.00 0.02 O ATOM 1091 CB GLN A 70 -7.893 3.965 9.802 1.00 0.01 C ATOM 1092 CG GLN A 70 -8.718 5.241 9.985 1.00 0.01 C ATOM 1093 CD GLN A 70 -8.969 5.478 11.475 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -8.095 5.933 12.186 1.00 0.01 O ATOM 1095 NE2 GLN A 70 -10.137 5.189 11.982 1.00 0.02 N ATOM 0 H GLN A 70 -9.713 3.893 8.116 1.00 0.01 H new ATOM 0 HA GLN A 70 -6.953 4.553 7.942 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.438 3.108 10.198 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -6.962 4.039 10.365 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -8.191 6.092 9.554 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -9.667 5.152 9.455 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -10.871 4.807 11.386 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -10.315 5.345 12.974 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.607 1.376 7.823 1.00 0.01 N ATOM 1105 CA ARG A 71 -6.980 0.035 7.634 1.00 0.02 C ATOM 1106 C ARG A 71 -6.129 0.058 6.363 1.00 0.01 C ATOM 1107 O ARG A 71 -5.260 -0.767 6.161 1.00 0.02 O ATOM 1108 CB ARG A 71 -8.071 -1.033 7.503 1.00 0.34 C ATOM 1109 CG ARG A 71 -8.960 -1.032 8.760 1.00 0.72 C ATOM 1110 CD ARG A 71 -8.304 -1.856 9.875 1.00 1.04 C ATOM 1111 NE ARG A 71 -9.239 -1.964 11.030 1.00 1.67 N ATOM 1112 CZ ARG A 71 -9.026 -2.854 11.960 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -7.993 -3.650 11.881 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -9.845 -2.948 12.971 1.00 3.42 N ATOM 0 H ARG A 71 -8.617 1.404 7.685 1.00 0.01 H new ATOM 0 HA ARG A 71 -6.353 -0.201 8.494 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.677 -0.839 6.618 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -7.617 -2.015 7.369 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -9.120 -0.009 9.100 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -9.940 -1.445 8.521 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -8.049 -2.849 9.506 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -7.373 -1.385 10.190 1.00 1.04 H new ATOM 0 HE ARG A 71 -10.045 -1.342 11.094 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -7.352 -3.576 11.091 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -7.828 -4.345 12.609 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -10.651 -2.326 13.034 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -9.679 -3.643 13.699 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.387 1.011 5.511 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.627 1.144 4.232 1.00 0.01 C ATOM 1130 C TRP A 72 -4.718 2.373 4.364 1.00 0.01 C ATOM 1131 O TRP A 72 -4.125 2.842 3.416 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.666 1.294 3.093 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.173 2.169 1.983 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -5.100 1.912 1.198 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -6.733 3.430 1.514 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -4.963 2.943 0.284 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -5.947 3.900 0.439 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -7.836 4.205 1.920 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -6.245 5.098 -0.213 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -8.139 5.409 1.266 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -7.345 5.854 0.201 1.00 0.02 C ATOM 0 H TRP A 72 -7.108 1.719 5.649 1.00 0.02 H new ATOM 0 HA TRP A 72 -5.000 0.280 4.011 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -6.909 0.309 2.695 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -7.588 1.711 3.498 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -4.458 1.047 1.272 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -4.225 2.990 -0.419 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -8.453 3.871 2.741 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -5.629 5.438 -1.032 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -8.988 5.995 1.585 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -7.583 6.781 -0.300 1.00 0.02 H new ATOM 1152 N MET A 73 -4.610 2.888 5.557 1.00 0.02 N ATOM 1153 CA MET A 73 -3.752 4.081 5.796 1.00 0.02 C ATOM 1154 C MET A 73 -4.254 5.270 4.966 1.00 0.01 C ATOM 1155 O MET A 73 -3.522 6.198 4.683 1.00 0.02 O ATOM 1156 CB MET A 73 -2.303 3.762 5.414 1.00 0.02 C ATOM 1157 CG MET A 73 -1.935 2.362 5.911 1.00 0.01 C ATOM 1158 SD MET A 73 -0.136 2.167 5.884 1.00 0.01 S ATOM 1159 CE MET A 73 -0.082 0.467 6.500 1.00 0.01 C ATOM 0 H MET A 73 -5.085 2.529 6.385 1.00 0.02 H new ATOM 0 HA MET A 73 -3.799 4.342 6.853 1.00 0.02 H new ATOM 0 HB2 MET A 73 -2.181 3.818 4.332 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.631 4.501 5.849 1.00 0.02 H new ATOM 0 HG2 MET A 73 -2.313 2.212 6.922 1.00 0.01 H new ATOM 0 HG3 MET A 73 -2.403 1.606 5.281 1.00 0.01 H new ATOM 0 HE1 MET A 73 0.955 0.136 6.564 1.00 0.01 H new ATOM 0 HE2 MET A 73 -0.539 0.424 7.489 1.00 0.01 H new ATOM 0 HE3 MET A 73 -0.629 -0.184 5.819 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.503 5.240 4.577 1.00 0.02 N ATOM 1170 CA GLY A 74 -6.059 6.359 3.768 1.00 0.02 C ATOM 1171 C GLY A 74 -5.950 7.656 4.565 1.00 0.01 C ATOM 1172 O GLY A 74 -6.116 7.671 5.768 1.00 0.01 O ATOM 0 H GLY A 74 -6.159 4.488 4.786 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.515 6.449 2.828 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -7.101 6.159 3.516 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.707 8.755 3.904 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.634 10.053 4.636 1.00 0.02 C ATOM 1178 C LEU A 75 -7.075 10.526 4.892 1.00 0.01 C ATOM 1179 O LEU A 75 -7.371 11.155 5.888 1.00 0.02 O ATOM 1180 CB LEU A 75 -4.858 11.077 3.783 1.00 0.55 C ATOM 1181 CG LEU A 75 -4.119 12.076 4.685 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -3.464 13.152 3.815 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -5.105 12.735 5.659 1.00 0.42 C ATOM 0 H LEU A 75 -5.557 8.811 2.897 1.00 0.02 H new ATOM 0 HA LEU A 75 -5.111 9.943 5.586 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -4.144 10.559 3.142 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -5.547 11.610 3.128 1.00 0.55 H new ATOM 0 HG LEU A 75 -3.356 11.548 5.256 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -2.938 13.864 4.451 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -2.756 12.685 3.130 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -4.231 13.674 3.243 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -4.571 13.442 6.294 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -5.875 13.263 5.096 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -5.570 11.969 6.279 1.00 0.42 H new ATOM 1195 N ASN A 76 -7.978 10.189 4.005 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.410 10.559 4.161 1.00 0.02 C ATOM 1197 C ASN A 76 -10.212 9.561 3.320 1.00 0.02 C ATOM 1198 O ASN A 76 -9.664 8.592 2.831 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.639 11.984 3.657 1.00 0.02 C ATOM 1200 CG ASN A 76 -8.970 12.151 2.291 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -8.401 11.121 1.729 1.00 0.01 O flip ATOM 1202 ND2 ASN A 76 -8.967 13.229 1.732 1.00 0.02 N flip ATOM 0 H ASN A 76 -7.772 9.659 3.158 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.718 10.525 5.206 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -10.707 12.187 3.579 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -9.229 12.703 4.366 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -9.413 14.033 2.173 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -8.519 13.330 0.821 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.493 9.766 3.147 1.00 0.01 N ATOM 1210 CA ASP A 77 -12.303 8.796 2.339 1.00 0.01 C ATOM 1211 C ASP A 77 -12.495 9.319 0.910 1.00 0.01 C ATOM 1212 O ASP A 77 -13.494 9.028 0.274 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.676 8.623 2.996 1.00 0.01 C ATOM 1214 CG ASP A 77 -14.230 9.992 3.394 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -13.638 10.622 4.255 1.00 0.01 O ATOM 1216 OD2 ASP A 77 -15.236 10.386 2.830 1.00 0.02 O ATOM 0 H ASP A 77 -12.013 10.557 3.526 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.778 7.842 2.300 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -14.361 8.129 2.307 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -13.592 7.984 3.875 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.571 10.104 0.403 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.728 10.664 -0.979 1.00 0.01 C ATOM 1223 C ARG A 78 -10.934 9.841 -2.005 1.00 0.02 C ATOM 1224 O ARG A 78 -9.732 9.697 -1.904 1.00 0.02 O ATOM 1225 CB ARG A 78 -11.238 12.114 -0.994 1.00 0.43 C ATOM 1226 CG ARG A 78 -12.246 13.004 -0.262 1.00 0.80 C ATOM 1227 CD ARG A 78 -11.715 14.438 -0.202 1.00 1.00 C ATOM 1228 NE ARG A 78 -11.531 14.961 -1.586 1.00 1.30 N ATOM 1229 CZ ARG A 78 -11.366 16.240 -1.786 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -11.359 17.061 -0.773 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -11.209 16.697 -2.998 1.00 3.20 N ATOM 0 H ARG A 78 -10.716 10.380 0.886 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.782 10.621 -1.252 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -10.261 12.183 -0.515 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -11.114 12.456 -2.021 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -13.207 12.982 -0.777 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -12.416 12.626 0.746 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -12.411 15.072 0.348 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -10.768 14.464 0.336 1.00 1.00 H new ATOM 0 HE ARG A 78 -11.534 14.318 -2.378 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -11.482 16.703 0.174 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -11.230 18.061 -0.928 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -11.215 16.054 -3.790 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -11.080 17.697 -3.153 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.595 9.339 -3.015 1.00 0.01 N ATOM 1246 CA LEU A 79 -10.893 8.566 -4.089 1.00 0.01 C ATOM 1247 C LEU A 79 -11.600 8.871 -5.414 1.00 0.01 C ATOM 1248 O LEU A 79 -12.797 8.702 -5.534 1.00 0.02 O ATOM 1249 CB LEU A 79 -10.962 7.061 -3.793 1.00 1.04 C ATOM 1250 CG LEU A 79 -9.942 6.681 -2.703 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.102 5.193 -2.365 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.499 6.952 -3.187 1.00 2.61 C ATOM 0 H LEU A 79 -12.602 9.431 -3.145 1.00 0.01 H new ATOM 0 HA LEU A 79 -9.842 8.852 -4.138 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -11.968 6.793 -3.468 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -10.760 6.495 -4.702 1.00 1.04 H new ATOM 0 HG LEU A 79 -10.127 7.288 -1.817 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -9.383 4.916 -1.594 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.113 5.009 -2.002 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -9.923 4.596 -3.259 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -7.794 6.677 -2.402 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.297 6.360 -4.080 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.386 8.011 -3.421 1.00 2.61 H new ATOM 1264 N GLY A 80 -10.883 9.376 -6.394 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.530 9.756 -7.697 1.00 0.02 C ATOM 1266 C GLY A 80 -11.151 8.808 -8.846 1.00 0.02 C ATOM 1267 O GLY A 80 -11.801 8.803 -9.874 1.00 0.01 O ATOM 0 H GLY A 80 -9.878 9.542 -6.349 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.613 9.756 -7.574 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -11.239 10.773 -7.960 1.00 0.02 H new ATOM 1271 N SER A 81 -10.119 8.017 -8.716 1.00 0.01 N ATOM 1272 CA SER A 81 -9.751 7.107 -9.848 1.00 0.01 C ATOM 1273 C SER A 81 -8.941 5.918 -9.331 1.00 0.02 C ATOM 1274 O SER A 81 -8.312 5.979 -8.292 1.00 0.01 O ATOM 1275 CB SER A 81 -8.920 7.884 -10.869 1.00 0.01 C ATOM 1276 OG SER A 81 -8.457 6.993 -11.873 1.00 0.01 O ATOM 0 H SER A 81 -9.522 7.959 -7.891 1.00 0.01 H new ATOM 0 HA SER A 81 -10.662 6.735 -10.317 1.00 0.01 H new ATOM 0 HB2 SER A 81 -9.521 8.675 -11.318 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.075 8.366 -10.376 1.00 0.01 H new ATOM 0 HG SER A 81 -7.609 7.323 -12.237 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.959 4.824 -10.060 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.192 3.614 -9.623 1.00 0.01 C ATOM 1284 C CYS A 82 -7.635 2.866 -10.843 1.00 0.01 C ATOM 1285 O CYS A 82 -8.237 2.841 -11.898 1.00 0.01 O ATOM 1286 CB CYS A 82 -9.119 2.684 -8.836 1.00 0.01 C ATOM 1287 SG CYS A 82 -10.516 2.201 -9.879 1.00 0.02 S ATOM 0 H CYS A 82 -9.471 4.719 -10.936 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.361 3.930 -8.993 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -8.572 1.799 -8.509 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -9.478 3.186 -7.938 1.00 0.01 H new ATOM 0 HG CYS A 82 -11.302 1.409 -9.212 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.491 2.239 -10.696 1.00 0.01 N ATOM 1294 CA ARG A 83 -5.884 1.473 -11.835 1.00 0.01 C ATOM 1295 C ARG A 83 -5.327 0.145 -11.314 1.00 0.01 C ATOM 1296 O ARG A 83 -4.796 0.062 -10.224 1.00 0.01 O ATOM 1297 CB ARG A 83 -4.710 2.265 -12.431 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.229 3.454 -13.245 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.088 4.016 -14.097 1.00 0.01 C ATOM 1300 NE ARG A 83 -2.819 3.971 -13.317 1.00 0.01 N ATOM 1301 CZ ARG A 83 -1.674 4.123 -13.923 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -1.640 4.315 -15.212 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -0.564 4.082 -13.240 1.00 0.01 N ATOM 0 H ARG A 83 -5.948 2.224 -9.832 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.652 1.305 -12.590 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -4.059 2.619 -11.632 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.109 1.615 -13.067 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -6.055 3.140 -13.883 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -5.616 4.225 -12.579 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -3.985 3.436 -15.014 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -4.310 5.042 -14.392 1.00 0.01 H new ATOM 0 HE ARG A 83 -2.846 3.821 -12.308 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -2.508 4.346 -15.746 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -0.745 4.434 -15.686 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -0.591 3.931 -12.232 1.00 0.01 H new ATOM 0 HH22 ARG A 83 0.331 4.201 -13.714 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.446 -0.902 -12.090 1.00 0.01 N ATOM 1318 CA ALA A 84 -4.926 -2.226 -11.648 1.00 0.01 C ATOM 1319 C ALA A 84 -3.409 -2.284 -11.860 1.00 0.01 C ATOM 1320 O ALA A 84 -2.901 -1.960 -12.915 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.590 -3.330 -12.470 1.00 0.43 C ATOM 0 H ALA A 84 -5.882 -0.895 -13.012 1.00 0.01 H new ATOM 0 HA ALA A 84 -5.150 -2.366 -10.590 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.211 -4.300 -12.149 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -6.669 -3.295 -12.322 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.363 -3.184 -13.526 1.00 0.43 H new ATOM 1327 N VAL A 85 -2.692 -2.721 -10.859 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.209 -2.840 -10.975 1.00 0.01 C ATOM 1329 C VAL A 85 -0.865 -4.245 -11.475 1.00 0.01 C ATOM 1330 O VAL A 85 -1.263 -5.230 -10.886 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.564 -2.608 -9.606 1.00 0.98 C ATOM 1332 CG1 VAL A 85 0.954 -2.507 -9.764 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -1.099 -1.304 -9.006 1.00 1.12 C ATOM 0 H VAL A 85 -3.075 -3.003 -9.957 1.00 0.01 H new ATOM 0 HA VAL A 85 -0.832 -2.095 -11.675 1.00 0.01 H new ATOM 0 HB VAL A 85 -0.806 -3.442 -8.947 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.411 -2.342 -8.788 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.338 -3.433 -10.192 1.00 1.25 H new ATOM 0 HG13 VAL A 85 1.196 -1.674 -10.424 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.641 -1.137 -8.031 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -0.857 -0.473 -9.668 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.181 -1.373 -8.891 1.00 1.12 H new ATOM 1343 N HIS A 86 -0.127 -4.359 -12.550 1.00 0.01 N ATOM 1344 CA HIS A 86 0.238 -5.712 -13.069 1.00 0.01 C ATOM 1345 C HIS A 86 1.606 -6.109 -12.516 1.00 0.01 C ATOM 1346 O HIS A 86 2.550 -5.350 -12.572 1.00 0.00 O ATOM 1347 CB HIS A 86 0.309 -5.668 -14.597 1.00 0.21 C ATOM 1348 CG HIS A 86 -1.061 -5.392 -15.155 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -1.572 -4.108 -15.255 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -2.038 -6.223 -15.645 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -2.805 -4.203 -15.788 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -3.137 -5.470 -16.045 1.00 1.71 N ATOM 0 H HIS A 86 0.238 -3.575 -13.090 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.513 -6.438 -12.758 1.00 0.01 H new ATOM 0 HB2 HIS A 86 1.006 -4.894 -14.917 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.686 -6.616 -14.982 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -1.964 -7.299 -15.710 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -3.447 -3.357 -15.984 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -4.009 -5.812 -16.448 1.00 1.71 H new ATOM 1360 N LEU A 87 1.723 -7.296 -11.984 1.00 0.01 N ATOM 1361 CA LEU A 87 3.032 -7.751 -11.424 1.00 0.01 C ATOM 1362 C LEU A 87 3.770 -8.549 -12.501 1.00 0.01 C ATOM 1363 O LEU A 87 3.180 -9.339 -13.209 1.00 0.01 O ATOM 1364 CB LEU A 87 2.764 -8.652 -10.204 1.00 0.67 C ATOM 1365 CG LEU A 87 1.538 -8.147 -9.438 1.00 1.25 C ATOM 1366 CD1 LEU A 87 1.353 -8.984 -8.171 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.740 -6.681 -9.051 1.00 1.34 C ATOM 0 H LEU A 87 0.965 -7.975 -11.912 1.00 0.01 H new ATOM 0 HA LEU A 87 3.636 -6.897 -11.119 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.602 -9.680 -10.529 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.635 -8.659 -9.549 1.00 0.67 H new ATOM 0 HG LEU A 87 0.655 -8.236 -10.070 1.00 1.25 H new ATOM 0 HD11 LEU A 87 0.481 -8.627 -7.623 1.00 1.63 H new ATOM 0 HD12 LEU A 87 1.208 -10.029 -8.444 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.239 -8.893 -7.542 1.00 1.63 H new ATOM 0 HD21 LEU A 87 0.866 -6.325 -8.506 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.623 -6.590 -8.419 1.00 1.34 H new ATOM 0 HD23 LEU A 87 1.875 -6.082 -9.952 1.00 1.34 H new ATOM 1379 N SER A 88 5.064 -8.362 -12.616 1.00 0.01 N ATOM 1380 CA SER A 88 5.868 -9.117 -13.624 1.00 0.01 C ATOM 1381 C SER A 88 6.780 -10.105 -12.898 1.00 0.01 C ATOM 1382 O SER A 88 7.537 -9.706 -12.034 1.00 0.01 O ATOM 1383 CB SER A 88 6.733 -8.146 -14.427 1.00 0.81 C ATOM 1384 OG SER A 88 7.697 -8.880 -15.171 1.00 1.08 O ATOM 0 H SER A 88 5.602 -7.709 -12.046 1.00 0.01 H new ATOM 0 HA SER A 88 5.195 -9.649 -14.296 1.00 0.01 H new ATOM 0 HB2 SER A 88 6.110 -7.557 -15.099 1.00 0.81 H new ATOM 0 HB3 SER A 88 7.231 -7.445 -13.757 1.00 0.81 H new ATOM 0 HG SER A 88 8.252 -8.260 -15.688 1.00 1.08 H new ATOM 1390 N SER A 89 6.777 -11.366 -13.248 1.00 0.01 N ATOM 1391 CA SER A 89 7.714 -12.329 -12.584 1.00 0.01 C ATOM 1392 C SER A 89 8.832 -12.609 -13.586 1.00 0.01 C ATOM 1393 O SER A 89 9.073 -11.801 -14.460 1.00 0.01 O ATOM 1394 CB SER A 89 6.970 -13.624 -12.253 1.00 0.43 C ATOM 1395 OG SER A 89 6.607 -14.278 -13.462 1.00 1.26 O ATOM 0 H SER A 89 6.170 -11.771 -13.961 1.00 0.01 H new ATOM 0 HA SER A 89 8.113 -11.921 -11.655 1.00 0.01 H new ATOM 0 HB2 SER A 89 7.601 -14.276 -11.649 1.00 0.43 H new ATOM 0 HB3 SER A 89 6.080 -13.405 -11.663 1.00 0.43 H new ATOM 0 HG SER A 89 6.131 -15.109 -13.254 1.00 1.26 H new ATOM 1401 N GLY A 90 9.496 -13.740 -13.521 1.00 0.01 N ATOM 1402 CA GLY A 90 10.560 -14.037 -14.535 1.00 0.00 C ATOM 1403 C GLY A 90 11.815 -14.656 -13.913 1.00 0.00 C ATOM 1404 O GLY A 90 12.266 -15.700 -14.345 1.00 0.01 O ATOM 0 H GLY A 90 9.350 -14.464 -12.817 1.00 0.01 H new ATOM 0 HA2 GLY A 90 10.159 -14.717 -15.287 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.832 -13.116 -15.050 1.00 0.00 H new ATOM 1408 N GLY A 91 12.395 -14.046 -12.910 1.00 0.00 N ATOM 1409 CA GLY A 91 13.614 -14.657 -12.313 1.00 0.00 C ATOM 1410 C GLY A 91 14.174 -13.813 -11.162 1.00 0.00 C ATOM 1411 O GLY A 91 13.671 -13.876 -10.056 1.00 0.01 O ATOM 0 H GLY A 91 12.084 -13.171 -12.488 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.377 -15.656 -11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.377 -14.771 -13.083 1.00 0.00 H new ATOM 1415 N GLN A 92 15.218 -13.048 -11.391 1.00 1.80 N ATOM 1416 CA GLN A 92 15.822 -12.225 -10.284 1.00 2.31 C ATOM 1417 C GLN A 92 15.831 -10.740 -10.655 1.00 1.91 C ATOM 1418 O GLN A 92 16.424 -10.324 -11.629 1.00 2.31 O ATOM 1419 CB GLN A 92 17.249 -12.717 -10.032 1.00 2.11 C ATOM 1420 CG GLN A 92 17.794 -12.071 -8.757 1.00 2.86 C ATOM 1421 CD GLN A 92 19.265 -12.454 -8.580 1.00 3.70 C ATOM 1422 OE1 GLN A 92 19.778 -13.390 -9.330 1.00 3.99 O flip ATOM 1423 NE2 GLN A 92 19.954 -11.895 -7.750 1.00 4.43 N flip ATOM 0 H GLN A 92 15.680 -12.956 -12.296 1.00 1.80 H new ATOM 0 HA GLN A 92 15.224 -12.339 -9.380 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.259 -13.803 -9.935 1.00 2.11 H new ATOM 0 HB3 GLN A 92 17.886 -12.467 -10.880 1.00 2.11 H new ATOM 0 HG2 GLN A 92 17.694 -10.987 -8.814 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.215 -12.400 -7.894 1.00 2.86 H new ATOM 0 HE21 GLN A 92 19.553 -11.163 -7.164 1.00 4.43 H new ATOM 0 HE22 GLN A 92 20.933 -12.158 -7.640 1.00 4.43 H new ATOM 1432 N ALA A 93 15.158 -9.947 -9.864 1.00 0.01 N ATOM 1433 CA ALA A 93 15.107 -8.483 -10.151 1.00 0.01 C ATOM 1434 C ALA A 93 16.408 -7.821 -9.671 1.00 0.01 C ATOM 1435 O ALA A 93 16.846 -8.032 -8.558 1.00 0.01 O ATOM 1436 CB ALA A 93 13.911 -7.859 -9.424 1.00 2.99 C ATOM 0 H ALA A 93 14.644 -10.247 -9.036 1.00 0.01 H new ATOM 0 HA ALA A 93 14.997 -8.327 -11.224 1.00 0.01 H new ATOM 0 HB1 ALA A 93 13.875 -6.790 -9.634 1.00 2.99 H new ATOM 0 HB2 ALA A 93 12.990 -8.328 -9.770 1.00 2.99 H new ATOM 0 HB3 ALA A 93 14.017 -8.014 -8.350 1.00 2.99 H new ATOM 1442 N LYS A 94 17.029 -7.027 -10.510 1.00 0.00 N ATOM 1443 CA LYS A 94 18.312 -6.343 -10.128 1.00 0.01 C ATOM 1444 C LYS A 94 18.198 -4.845 -10.439 1.00 0.01 C ATOM 1445 O LYS A 94 17.606 -4.459 -11.428 1.00 0.01 O ATOM 1446 CB LYS A 94 19.447 -6.962 -10.947 1.00 2.49 C ATOM 1447 CG LYS A 94 20.760 -6.237 -10.637 1.00 3.43 C ATOM 1448 CD LYS A 94 21.943 -7.066 -11.151 1.00 4.11 C ATOM 1449 CE LYS A 94 21.901 -7.129 -12.679 1.00 5.23 C ATOM 1450 NZ LYS A 94 23.216 -7.605 -13.192 1.00 6.36 N ATOM 0 H LYS A 94 16.701 -6.820 -11.453 1.00 0.00 H new ATOM 0 HA LYS A 94 18.512 -6.468 -9.064 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.541 -8.022 -10.713 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.222 -6.889 -12.011 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.762 -5.253 -11.106 1.00 3.43 H new ATOM 0 HG3 LYS A 94 20.854 -6.079 -9.563 1.00 3.43 H new ATOM 0 HD2 LYS A 94 22.882 -6.622 -10.821 1.00 4.11 H new ATOM 0 HD3 LYS A 94 21.903 -8.072 -10.734 1.00 4.11 H new ATOM 0 HE2 LYS A 94 21.107 -7.801 -13.004 1.00 5.23 H new ATOM 0 HE3 LYS A 94 21.673 -6.145 -13.088 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 23.188 -7.648 -14.231 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 23.964 -6.948 -12.893 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 23.415 -8.552 -12.811 1.00 6.36 H new ATOM 1464 N ILE A 95 18.745 -3.995 -9.591 1.00 0.00 N ATOM 1465 CA ILE A 95 18.651 -2.512 -9.826 1.00 0.01 C ATOM 1466 C ILE A 95 20.045 -1.876 -9.749 1.00 0.01 C ATOM 1467 O ILE A 95 20.875 -2.248 -8.941 1.00 0.01 O ATOM 1468 CB ILE A 95 17.748 -1.901 -8.745 1.00 0.34 C ATOM 1469 CG1 ILE A 95 17.881 -0.372 -8.743 1.00 0.30 C ATOM 1470 CG2 ILE A 95 18.158 -2.445 -7.375 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.722 0.245 -7.959 1.00 1.09 C ATOM 0 H ILE A 95 19.251 -4.265 -8.748 1.00 0.00 H new ATOM 0 HA ILE A 95 18.235 -2.324 -10.816 1.00 0.01 H new ATOM 0 HB ILE A 95 16.713 -2.168 -8.957 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.831 -0.081 -8.296 1.00 0.30 H new ATOM 0 HG13 ILE A 95 17.882 0.004 -9.766 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.518 -2.013 -6.606 1.00 0.36 H new ATOM 0 HG22 ILE A 95 18.052 -3.530 -7.368 1.00 0.36 H new ATOM 0 HG23 ILE A 95 19.196 -2.181 -7.174 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.820 1.331 -7.960 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.777 -0.035 -8.426 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.742 -0.121 -6.932 1.00 1.09 H new ATOM 1483 N GLN A 96 20.276 -0.870 -10.565 1.00 0.01 N ATOM 1484 CA GLN A 96 21.576 -0.127 -10.540 1.00 0.01 C ATOM 1485 C GLN A 96 21.258 1.350 -10.278 1.00 0.01 C ATOM 1486 O GLN A 96 20.369 1.906 -10.893 1.00 0.00 O ATOM 1487 CB GLN A 96 22.311 -0.286 -11.876 1.00 0.53 C ATOM 1488 CG GLN A 96 21.355 -0.011 -13.032 1.00 0.82 C ATOM 1489 CD GLN A 96 22.096 -0.176 -14.361 1.00 1.25 C ATOM 1490 OE1 GLN A 96 22.928 0.638 -14.713 1.00 1.75 O ATOM 1491 NE2 GLN A 96 21.827 -1.203 -15.120 1.00 2.05 N ATOM 0 H GLN A 96 19.607 -0.530 -11.256 1.00 0.01 H new ATOM 0 HA GLN A 96 22.225 -0.523 -9.759 1.00 0.01 H new ATOM 0 HB2 GLN A 96 23.156 0.402 -11.920 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.716 -1.294 -11.960 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.509 -0.697 -12.988 1.00 0.82 H new ATOM 0 HG3 GLN A 96 20.952 0.999 -12.952 1.00 0.82 H new ATOM 0 HE21 GLN A 96 21.129 -1.886 -14.825 1.00 2.05 H new ATOM 0 HE22 GLN A 96 22.315 -1.323 -16.008 1.00 2.05 H new ATOM 1500 N VAL A 97 21.956 2.001 -9.376 1.00 0.01 N ATOM 1501 CA VAL A 97 21.667 3.450 -9.086 1.00 0.01 C ATOM 1502 C VAL A 97 22.942 4.281 -9.262 1.00 0.01 C ATOM 1503 O VAL A 97 24.038 3.817 -9.021 1.00 0.01 O ATOM 1504 CB VAL A 97 21.160 3.586 -7.648 1.00 0.77 C ATOM 1505 CG1 VAL A 97 19.977 2.641 -7.432 1.00 1.10 C ATOM 1506 CG2 VAL A 97 22.283 3.222 -6.674 1.00 1.03 C ATOM 0 H VAL A 97 22.713 1.595 -8.827 1.00 0.01 H new ATOM 0 HA VAL A 97 20.908 3.813 -9.779 1.00 0.01 H new ATOM 0 HB VAL A 97 20.843 4.614 -7.472 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.616 2.738 -6.408 1.00 1.10 H new ATOM 0 HG12 VAL A 97 19.176 2.897 -8.125 1.00 1.10 H new ATOM 0 HG13 VAL A 97 20.295 1.614 -7.609 1.00 1.10 H new ATOM 0 HG21 VAL A 97 21.922 3.319 -5.650 1.00 1.03 H new ATOM 0 HG22 VAL A 97 22.600 2.194 -6.852 1.00 1.03 H new ATOM 0 HG23 VAL A 97 23.128 3.893 -6.826 1.00 1.03 H new ATOM 1516 N PHE A 98 22.796 5.507 -9.715 1.00 0.01 N ATOM 1517 CA PHE A 98 23.991 6.390 -9.954 1.00 0.01 C ATOM 1518 C PHE A 98 23.919 7.661 -9.099 1.00 0.01 C ATOM 1519 O PHE A 98 22.869 8.224 -8.871 1.00 0.01 O ATOM 1520 CB PHE A 98 24.034 6.777 -11.433 1.00 0.25 C ATOM 1521 CG PHE A 98 24.313 5.548 -12.264 1.00 0.36 C ATOM 1522 CD1 PHE A 98 23.264 4.695 -12.627 1.00 0.42 C ATOM 1523 CD2 PHE A 98 25.621 5.263 -12.675 1.00 0.58 C ATOM 1524 CE1 PHE A 98 23.522 3.557 -13.400 1.00 0.56 C ATOM 1525 CE2 PHE A 98 25.880 4.125 -13.449 1.00 0.73 C ATOM 1526 CZ PHE A 98 24.830 3.272 -13.812 1.00 0.69 C ATOM 0 H PHE A 98 21.897 5.937 -9.931 1.00 0.01 H new ATOM 0 HA PHE A 98 24.891 5.842 -9.676 1.00 0.01 H new ATOM 0 HB2 PHE A 98 23.086 7.224 -11.731 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.807 7.527 -11.602 1.00 0.25 H new ATOM 0 HD1 PHE A 98 22.255 4.915 -12.310 1.00 0.42 H new ATOM 0 HD2 PHE A 98 26.430 5.921 -12.395 1.00 0.58 H new ATOM 0 HE1 PHE A 98 22.713 2.899 -13.679 1.00 0.56 H new ATOM 0 HE2 PHE A 98 26.889 3.905 -13.766 1.00 0.73 H new ATOM 0 HZ PHE A 98 25.029 2.395 -14.410 1.00 0.69 H new ATOM 1536 N GLU A 99 25.052 8.083 -8.602 1.00 0.01 N ATOM 1537 CA GLU A 99 25.101 9.290 -7.723 1.00 0.01 C ATOM 1538 C GLU A 99 24.754 10.575 -8.493 1.00 0.01 C ATOM 1539 O GLU A 99 24.220 11.505 -7.922 1.00 0.01 O ATOM 1540 CB GLU A 99 26.505 9.427 -7.125 1.00 0.01 C ATOM 1541 CG GLU A 99 26.587 10.711 -6.292 1.00 0.01 C ATOM 1542 CD GLU A 99 27.816 10.656 -5.382 1.00 0.01 C ATOM 1543 OE1 GLU A 99 28.842 10.173 -5.833 1.00 0.01 O ATOM 1544 OE2 GLU A 99 27.711 11.099 -4.250 1.00 0.02 O ATOM 0 H GLU A 99 25.955 7.639 -8.769 1.00 0.01 H new ATOM 0 HA GLU A 99 24.359 9.158 -6.935 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.731 8.562 -6.501 1.00 0.01 H new ATOM 0 HB3 GLU A 99 27.249 9.450 -7.921 1.00 0.01 H new ATOM 0 HG2 GLU A 99 26.647 11.579 -6.949 1.00 0.01 H new ATOM 0 HG3 GLU A 99 25.684 10.826 -5.693 1.00 0.01 H new ATOM 1551 N LYS A 100 25.057 10.650 -9.773 1.00 0.01 N ATOM 1552 CA LYS A 100 24.745 11.898 -10.555 1.00 0.01 C ATOM 1553 C LYS A 100 23.719 11.598 -11.651 1.00 0.01 C ATOM 1554 O LYS A 100 23.433 10.457 -11.962 1.00 0.01 O ATOM 1555 CB LYS A 100 26.024 12.441 -11.195 1.00 0.94 C ATOM 1556 CG LYS A 100 27.058 12.723 -10.107 1.00 1.63 C ATOM 1557 CD LYS A 100 28.420 12.975 -10.754 1.00 2.19 C ATOM 1558 CE LYS A 100 29.382 13.536 -9.707 1.00 2.84 C ATOM 1559 NZ LYS A 100 29.000 14.938 -9.383 1.00 3.18 N ATOM 0 H LYS A 100 25.504 9.906 -10.308 1.00 0.01 H new ATOM 0 HA LYS A 100 24.331 12.641 -9.873 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.420 11.720 -11.910 1.00 0.94 H new ATOM 0 HB3 LYS A 100 25.806 13.353 -11.750 1.00 0.94 H new ATOM 0 HG2 LYS A 100 26.756 13.590 -9.519 1.00 1.63 H new ATOM 0 HG3 LYS A 100 27.120 11.878 -9.421 1.00 1.63 H new ATOM 0 HD2 LYS A 100 28.816 12.048 -11.168 1.00 2.19 H new ATOM 0 HD3 LYS A 100 28.318 13.676 -11.583 1.00 2.19 H new ATOM 0 HE2 LYS A 100 29.354 12.923 -8.806 1.00 2.84 H new ATOM 0 HE3 LYS A 100 30.405 13.504 -10.083 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 29.825 15.443 -9.000 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 28.671 15.416 -10.246 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 28.237 14.935 -8.676 1.00 3.18 H new ATOM 1573 N GLY A 101 23.173 12.631 -12.235 1.00 0.01 N ATOM 1574 CA GLY A 101 22.151 12.453 -13.307 1.00 0.01 C ATOM 1575 C GLY A 101 22.772 11.828 -14.557 1.00 0.00 C ATOM 1576 O GLY A 101 23.974 11.808 -14.737 1.00 0.01 O ATOM 0 H GLY A 101 23.394 13.601 -12.012 1.00 0.01 H new ATOM 0 HA2 GLY A 101 21.343 11.819 -12.942 1.00 0.01 H new ATOM 0 HA3 GLY A 101 21.711 13.418 -13.559 1.00 0.01 H new ATOM 1580 N ASP A 102 21.934 11.335 -15.431 1.00 0.01 N ATOM 1581 CA ASP A 102 22.415 10.718 -16.699 1.00 0.00 C ATOM 1582 C ASP A 102 23.386 9.573 -16.415 1.00 0.00 C ATOM 1583 O ASP A 102 24.351 9.363 -17.124 1.00 0.01 O ATOM 1584 CB ASP A 102 23.107 11.783 -17.550 1.00 0.01 C ATOM 1585 CG ASP A 102 22.273 13.065 -17.539 1.00 0.01 C ATOM 1586 OD1 ASP A 102 22.323 13.772 -16.546 1.00 0.01 O ATOM 1587 OD2 ASP A 102 21.600 13.319 -18.524 1.00 0.01 O ATOM 0 H ASP A 102 20.920 11.335 -15.316 1.00 0.01 H new ATOM 0 HA ASP A 102 21.558 10.313 -17.237 1.00 0.00 H new ATOM 0 HB2 ASP A 102 24.105 11.983 -17.161 1.00 0.01 H new ATOM 0 HB3 ASP A 102 23.229 11.424 -18.572 1.00 0.01 H new ATOM 1592 N PHE A 103 23.109 8.806 -15.398 1.00 0.01 N ATOM 1593 CA PHE A 103 23.970 7.638 -15.067 1.00 0.01 C ATOM 1594 C PHE A 103 25.437 8.054 -14.952 1.00 0.00 C ATOM 1595 O PHE A 103 26.296 7.499 -15.609 1.00 0.01 O ATOM 1596 CB PHE A 103 23.824 6.586 -16.168 1.00 0.01 C ATOM 1597 CG PHE A 103 22.364 6.435 -16.532 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.514 5.669 -15.723 1.00 0.01 C ATOM 1599 CD2 PHE A 103 21.861 7.061 -17.679 1.00 0.01 C ATOM 1600 CE1 PHE A 103 20.162 5.530 -16.063 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.508 6.922 -18.018 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.660 6.157 -17.210 1.00 0.01 C ATOM 0 H PHE A 103 22.313 8.941 -14.775 1.00 0.01 H new ATOM 0 HA PHE A 103 23.654 7.229 -14.107 1.00 0.01 H new ATOM 0 HB2 PHE A 103 24.400 6.880 -17.045 1.00 0.01 H new ATOM 0 HB3 PHE A 103 24.226 5.631 -15.829 1.00 0.01 H new ATOM 0 HD1 PHE A 103 21.901 5.186 -14.838 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.516 7.651 -18.303 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.507 4.939 -15.440 1.00 0.01 H new ATOM 0 HE2 PHE A 103 20.120 7.405 -18.903 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.618 6.050 -17.471 1.00 0.01 H new ATOM 1612 N ASN A 104 25.735 9.009 -14.104 1.00 0.00 N ATOM 1613 CA ASN A 104 27.157 9.446 -13.916 1.00 0.01 C ATOM 1614 C ASN A 104 27.466 9.438 -12.419 1.00 0.01 C ATOM 1615 O ASN A 104 26.575 9.355 -11.596 1.00 0.01 O ATOM 1616 CB ASN A 104 27.340 10.865 -14.469 1.00 1.68 C ATOM 1617 CG ASN A 104 27.474 10.805 -15.992 1.00 2.31 C ATOM 1618 OD1 ASN A 104 26.610 10.284 -16.670 1.00 3.15 O ATOM 1619 ND2 ASN A 104 28.527 11.321 -16.564 1.00 2.38 N ATOM 0 H ASN A 104 25.053 9.507 -13.532 1.00 0.00 H new ATOM 0 HA ASN A 104 27.830 8.772 -14.446 1.00 0.01 H new ATOM 0 HB2 ASN A 104 26.489 11.487 -14.192 1.00 1.68 H new ATOM 0 HB3 ASN A 104 28.227 11.325 -14.033 1.00 1.68 H new ATOM 0 HD21 ASN A 104 28.624 11.287 -17.579 1.00 2.38 H new ATOM 0 HD22 ASN A 104 29.253 11.759 -15.996 1.00 2.38 H new ATOM 1626 N GLY A 105 28.717 9.510 -12.048 1.00 0.01 N ATOM 1627 CA GLY A 105 29.067 9.499 -10.595 1.00 0.01 C ATOM 1628 C GLY A 105 29.340 8.063 -10.154 1.00 0.01 C ATOM 1629 O GLY A 105 29.530 7.183 -10.972 1.00 0.01 O ATOM 0 H GLY A 105 29.511 9.576 -12.685 1.00 0.01 H new ATOM 0 HA2 GLY A 105 29.945 10.120 -10.416 1.00 0.01 H new ATOM 0 HA3 GLY A 105 28.251 9.923 -10.009 1.00 0.01 H new ATOM 1633 N GLN A 106 29.343 7.805 -8.875 1.00 0.01 N ATOM 1634 CA GLN A 106 29.583 6.416 -8.403 1.00 0.01 C ATOM 1635 C GLN A 106 28.313 5.597 -8.636 1.00 0.01 C ATOM 1636 O GLN A 106 27.209 6.093 -8.524 1.00 0.01 O ATOM 1637 CB GLN A 106 29.918 6.433 -6.911 1.00 0.01 C ATOM 1638 CG GLN A 106 30.397 5.046 -6.483 1.00 0.01 C ATOM 1639 CD GLN A 106 31.775 4.770 -7.089 1.00 0.01 C ATOM 1640 OE1 GLN A 106 31.914 3.926 -7.952 1.00 0.01 O ATOM 1641 NE2 GLN A 106 32.808 5.452 -6.673 1.00 0.01 N ATOM 0 H GLN A 106 29.190 8.495 -8.140 1.00 0.01 H new ATOM 0 HA GLN A 106 30.417 5.974 -8.948 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.690 7.175 -6.709 1.00 0.01 H new ATOM 0 HB3 GLN A 106 29.040 6.721 -6.333 1.00 0.01 H new ATOM 0 HG2 GLN A 106 30.448 4.987 -5.396 1.00 0.01 H new ATOM 0 HG3 GLN A 106 29.686 4.287 -6.810 1.00 0.01 H new ATOM 0 HE21 GLN A 106 32.693 6.161 -5.949 1.00 0.01 H new ATOM 0 HE22 GLN A 106 33.730 5.276 -7.072 1.00 0.01 H new ATOM 1650 N MET A 107 28.474 4.343 -8.978 1.00 0.01 N ATOM 1651 CA MET A 107 27.293 3.461 -9.244 1.00 0.01 C ATOM 1652 C MET A 107 27.255 2.324 -8.224 1.00 0.01 C ATOM 1653 O MET A 107 28.271 1.773 -7.845 1.00 0.01 O ATOM 1654 CB MET A 107 27.412 2.865 -10.653 1.00 0.00 C ATOM 1655 CG MET A 107 26.217 1.945 -10.939 1.00 0.01 C ATOM 1656 SD MET A 107 26.531 0.304 -10.242 1.00 0.01 S ATOM 1657 CE MET A 107 27.381 -0.397 -11.676 1.00 0.01 C ATOM 0 H MET A 107 29.380 3.888 -9.086 1.00 0.01 H new ATOM 0 HA MET A 107 26.380 4.051 -9.165 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.450 3.665 -11.393 1.00 0.00 H new ATOM 0 HB3 MET A 107 28.342 2.304 -10.742 1.00 0.00 H new ATOM 0 HG2 MET A 107 25.309 2.367 -10.507 1.00 0.01 H new ATOM 0 HG3 MET A 107 26.053 1.869 -12.014 1.00 0.01 H new ATOM 0 HE1 MET A 107 27.670 -1.426 -11.461 1.00 0.01 H new ATOM 0 HE2 MET A 107 26.714 -0.380 -12.538 1.00 0.01 H new ATOM 0 HE3 MET A 107 28.272 0.192 -11.894 1.00 0.01 H new ATOM 1667 N TYR A 108 26.074 1.958 -7.794 1.00 0.01 N ATOM 1668 CA TYR A 108 25.914 0.840 -6.815 1.00 0.00 C ATOM 1669 C TYR A 108 24.819 -0.100 -7.334 1.00 0.01 C ATOM 1670 O TYR A 108 23.786 0.332 -7.811 1.00 0.01 O ATOM 1671 CB TYR A 108 25.501 1.400 -5.451 1.00 0.54 C ATOM 1672 CG TYR A 108 26.681 2.090 -4.813 1.00 0.60 C ATOM 1673 CD1 TYR A 108 27.575 1.359 -4.020 1.00 1.24 C ATOM 1674 CD2 TYR A 108 26.882 3.461 -5.013 1.00 0.93 C ATOM 1675 CE1 TYR A 108 28.669 2.000 -3.428 1.00 1.76 C ATOM 1676 CE2 TYR A 108 27.977 4.100 -4.421 1.00 1.51 C ATOM 1677 CZ TYR A 108 28.870 3.370 -3.629 1.00 1.82 C ATOM 1678 OH TYR A 108 29.946 4.002 -3.043 1.00 2.48 O ATOM 0 H TYR A 108 25.199 2.394 -8.085 1.00 0.01 H new ATOM 0 HA TYR A 108 26.856 0.302 -6.705 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.676 2.102 -5.569 1.00 0.54 H new ATOM 0 HB3 TYR A 108 25.145 0.595 -4.808 1.00 0.54 H new ATOM 0 HD1 TYR A 108 27.420 0.301 -3.866 1.00 1.24 H new ATOM 0 HD2 TYR A 108 26.192 4.025 -5.624 1.00 0.93 H new ATOM 0 HE1 TYR A 108 29.358 1.437 -2.816 1.00 1.76 H new ATOM 0 HE2 TYR A 108 28.133 5.157 -4.576 1.00 1.51 H new ATOM 0 HH TYR A 108 29.939 4.952 -3.285 1.00 2.48 H new ATOM 1688 N GLU A 109 25.059 -1.386 -7.268 1.00 0.01 N ATOM 1689 CA GLU A 109 24.068 -2.390 -7.779 1.00 0.01 C ATOM 1690 C GLU A 109 23.601 -3.293 -6.637 1.00 0.01 C ATOM 1691 O GLU A 109 24.394 -3.776 -5.852 1.00 0.01 O ATOM 1692 CB GLU A 109 24.765 -3.227 -8.857 1.00 0.01 C ATOM 1693 CG GLU A 109 23.758 -4.186 -9.505 1.00 0.01 C ATOM 1694 CD GLU A 109 23.531 -5.394 -8.592 1.00 0.00 C ATOM 1695 OE1 GLU A 109 24.416 -6.230 -8.517 1.00 0.00 O ATOM 1696 OE2 GLU A 109 22.475 -5.461 -7.984 1.00 0.00 O ATOM 0 H GLU A 109 25.910 -1.790 -6.877 1.00 0.01 H new ATOM 0 HA GLU A 109 23.195 -1.886 -8.193 1.00 0.01 H new ATOM 0 HB2 GLU A 109 25.197 -2.573 -9.615 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.587 -3.792 -8.417 1.00 0.01 H new ATOM 0 HG2 GLU A 109 22.814 -3.671 -9.683 1.00 0.01 H new ATOM 0 HG3 GLU A 109 24.129 -4.516 -10.475 1.00 0.01 H new ATOM 1703 N THR A 110 22.311 -3.525 -6.530 1.00 0.01 N ATOM 1704 CA THR A 110 21.802 -4.395 -5.426 1.00 0.00 C ATOM 1705 C THR A 110 20.549 -5.164 -5.863 1.00 0.01 C ATOM 1706 O THR A 110 19.782 -4.733 -6.706 1.00 0.01 O ATOM 1707 CB THR A 110 21.458 -3.538 -4.205 1.00 1.21 C ATOM 1708 OG1 THR A 110 20.920 -4.365 -3.183 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.432 -2.475 -4.599 1.00 1.69 C ATOM 0 H THR A 110 21.597 -3.152 -7.155 1.00 0.01 H new ATOM 0 HA THR A 110 22.585 -5.110 -5.174 1.00 0.00 H new ATOM 0 HB THR A 110 22.360 -3.049 -3.838 1.00 1.21 H new ATOM 0 HG1 THR A 110 20.701 -3.817 -2.400 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.188 -1.865 -3.729 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.848 -1.840 -5.382 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.528 -2.960 -4.967 1.00 1.69 H new ATOM 1717 N THR A 111 20.369 -6.322 -5.284 1.00 0.00 N ATOM 1718 CA THR A 111 19.195 -7.194 -5.610 1.00 0.01 C ATOM 1719 C THR A 111 18.232 -7.255 -4.417 1.00 0.01 C ATOM 1720 O THR A 111 17.328 -8.067 -4.394 1.00 0.01 O ATOM 1721 CB THR A 111 19.693 -8.606 -5.929 1.00 0.01 C ATOM 1722 OG1 THR A 111 20.401 -9.120 -4.810 1.00 0.01 O ATOM 1723 CG2 THR A 111 20.621 -8.561 -7.142 1.00 0.01 C ATOM 0 H THR A 111 20.999 -6.711 -4.583 1.00 0.00 H new ATOM 0 HA THR A 111 18.669 -6.779 -6.470 1.00 0.01 H new ATOM 0 HB THR A 111 18.841 -9.250 -6.150 1.00 0.01 H new ATOM 0 HG1 THR A 111 20.719 -10.025 -5.012 1.00 0.01 H new ATOM 0 HG21 THR A 111 20.974 -9.567 -7.367 1.00 0.01 H new ATOM 0 HG22 THR A 111 20.078 -8.166 -8.001 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.473 -7.917 -6.924 1.00 0.01 H new ATOM 1731 N GLU A 112 18.436 -6.433 -3.411 1.00 0.01 N ATOM 1732 CA GLU A 112 17.551 -6.477 -2.194 1.00 0.01 C ATOM 1733 C GLU A 112 16.855 -5.131 -1.954 1.00 0.01 C ATOM 1734 O GLU A 112 17.264 -4.104 -2.455 1.00 0.01 O ATOM 1735 CB GLU A 112 18.413 -6.808 -0.974 1.00 0.85 C ATOM 1736 CG GLU A 112 19.150 -8.128 -1.209 1.00 1.61 C ATOM 1737 CD GLU A 112 20.046 -8.434 -0.009 1.00 2.51 C ATOM 1738 OE1 GLU A 112 19.729 -7.972 1.076 1.00 3.07 O ATOM 1739 OE2 GLU A 112 21.034 -9.124 -0.195 1.00 3.21 O ATOM 0 H GLU A 112 19.177 -5.733 -3.378 1.00 0.01 H new ATOM 0 HA GLU A 112 16.785 -7.235 -2.354 1.00 0.01 H new ATOM 0 HB2 GLU A 112 19.130 -6.007 -0.794 1.00 0.85 H new ATOM 0 HB3 GLU A 112 17.788 -6.882 -0.084 1.00 0.85 H new ATOM 0 HG2 GLU A 112 18.433 -8.936 -1.356 1.00 1.61 H new ATOM 0 HG3 GLU A 112 19.750 -8.065 -2.117 1.00 1.61 H new ATOM 1746 N ASP A 113 15.815 -5.139 -1.157 1.00 0.01 N ATOM 1747 CA ASP A 113 15.084 -3.877 -0.830 1.00 0.01 C ATOM 1748 C ASP A 113 15.996 -3.000 0.032 1.00 0.00 C ATOM 1749 O ASP A 113 16.887 -3.489 0.697 1.00 0.01 O ATOM 1750 CB ASP A 113 13.820 -4.212 -0.041 1.00 0.01 C ATOM 1751 CG ASP A 113 14.203 -4.845 1.299 1.00 0.01 C ATOM 1752 OD1 ASP A 113 15.201 -5.545 1.337 1.00 0.00 O ATOM 1753 OD2 ASP A 113 13.493 -4.619 2.264 1.00 0.00 O ATOM 0 H ASP A 113 15.438 -5.977 -0.714 1.00 0.01 H new ATOM 0 HA ASP A 113 14.810 -3.354 -1.747 1.00 0.01 H new ATOM 0 HB2 ASP A 113 13.234 -3.308 0.127 1.00 0.01 H new ATOM 0 HB3 ASP A 113 13.194 -4.897 -0.612 1.00 0.01 H new ATOM 1758 N CYS A 114 15.753 -1.707 0.053 1.00 0.01 N ATOM 1759 CA CYS A 114 16.572 -0.786 0.908 1.00 0.01 C ATOM 1760 C CYS A 114 15.624 0.061 1.791 1.00 0.01 C ATOM 1761 O CYS A 114 14.899 0.889 1.273 1.00 0.01 O ATOM 1762 CB CYS A 114 17.372 0.157 0.008 1.00 0.01 C ATOM 1763 SG CYS A 114 18.613 1.026 0.999 1.00 0.01 S ATOM 0 H CYS A 114 15.019 -1.250 -0.488 1.00 0.01 H new ATOM 0 HA CYS A 114 17.247 -1.370 1.533 1.00 0.01 H new ATOM 0 HB2 CYS A 114 17.857 -0.407 -0.789 1.00 0.01 H new ATOM 0 HB3 CYS A 114 16.705 0.874 -0.470 1.00 0.01 H new ATOM 0 HG CYS A 114 19.535 0.189 1.371 1.00 0.01 H new ATOM 1769 N PRO A 115 15.616 -0.097 3.105 1.00 0.01 N ATOM 1770 CA PRO A 115 14.717 0.740 3.951 1.00 0.01 C ATOM 1771 C PRO A 115 15.260 2.168 4.085 1.00 0.01 C ATOM 1772 O PRO A 115 14.512 3.110 4.279 1.00 0.01 O ATOM 1773 CB PRO A 115 14.739 -0.009 5.295 1.00 0.01 C ATOM 1774 CG PRO A 115 15.963 -0.945 5.291 1.00 0.01 C ATOM 1775 CD PRO A 115 16.458 -1.089 3.838 1.00 0.01 C ATOM 0 HA PRO A 115 13.713 0.861 3.544 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.799 0.696 6.124 1.00 0.01 H new ATOM 0 HB3 PRO A 115 13.821 -0.581 5.429 1.00 0.01 H new ATOM 0 HG2 PRO A 115 16.753 -0.539 5.923 1.00 0.01 H new ATOM 0 HG3 PRO A 115 15.697 -1.920 5.700 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.521 -0.863 3.748 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.314 -2.101 3.459 1.00 0.01 H new ATOM 1783 N SER A 116 16.556 2.334 3.995 1.00 0.01 N ATOM 1784 CA SER A 116 17.156 3.698 4.122 1.00 0.02 C ATOM 1785 C SER A 116 18.326 3.823 3.144 1.00 0.01 C ATOM 1786 O SER A 116 19.362 3.201 3.302 1.00 0.00 O ATOM 1787 CB SER A 116 17.651 3.899 5.554 1.00 0.01 C ATOM 1788 OG SER A 116 18.569 4.985 5.585 1.00 0.01 O ATOM 0 H SER A 116 17.226 1.581 3.839 1.00 0.01 H new ATOM 0 HA SER A 116 16.409 4.457 3.891 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.810 4.100 6.217 1.00 0.01 H new ATOM 0 HB3 SER A 116 18.132 2.990 5.916 1.00 0.01 H new ATOM 0 HG SER A 116 18.414 5.521 6.390 1.00 0.01 H new ATOM 1794 N ILE A 117 18.142 4.605 2.113 1.00 0.01 N ATOM 1795 CA ILE A 117 19.200 4.776 1.077 1.00 0.01 C ATOM 1796 C ILE A 117 20.449 5.423 1.679 1.00 0.01 C ATOM 1797 O ILE A 117 21.558 5.079 1.319 1.00 0.00 O ATOM 1798 CB ILE A 117 18.649 5.672 -0.040 1.00 0.57 C ATOM 1799 CG1 ILE A 117 17.529 4.931 -0.777 1.00 1.44 C ATOM 1800 CG2 ILE A 117 19.761 6.021 -1.035 1.00 0.93 C ATOM 1801 CD1 ILE A 117 16.768 5.906 -1.677 1.00 1.83 C ATOM 0 H ILE A 117 17.290 5.140 1.944 1.00 0.01 H new ATOM 0 HA ILE A 117 19.477 3.798 0.682 1.00 0.01 H new ATOM 0 HB ILE A 117 18.262 6.591 0.400 1.00 0.57 H new ATOM 0 HG12 ILE A 117 17.948 4.121 -1.375 1.00 1.44 H new ATOM 0 HG13 ILE A 117 16.847 4.477 -0.058 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.358 6.657 -1.823 1.00 0.93 H new ATOM 0 HG22 ILE A 117 20.561 6.549 -0.516 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.156 5.105 -1.475 1.00 0.93 H new ATOM 0 HD11 ILE A 117 15.973 5.374 -2.199 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.335 6.700 -1.069 1.00 1.83 H new ATOM 0 HD13 ILE A 117 17.453 6.339 -2.405 1.00 1.83 H new ATOM 1813 N MET A 118 20.287 6.377 2.555 1.00 0.02 N ATOM 1814 CA MET A 118 21.486 7.055 3.123 1.00 0.01 C ATOM 1815 C MET A 118 22.261 6.097 4.025 1.00 0.01 C ATOM 1816 O MET A 118 23.472 6.105 4.042 1.00 0.02 O ATOM 1817 CB MET A 118 21.069 8.295 3.915 1.00 0.24 C ATOM 1818 CG MET A 118 22.312 9.110 4.279 1.00 0.63 C ATOM 1819 SD MET A 118 21.823 10.552 5.254 1.00 1.20 S ATOM 1820 CE MET A 118 23.345 10.696 6.221 1.00 1.34 C ATOM 0 H MET A 118 19.387 6.713 2.899 1.00 0.02 H new ATOM 0 HA MET A 118 22.131 7.362 2.300 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.383 8.903 3.325 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.537 8.000 4.819 1.00 0.24 H new ATOM 0 HG2 MET A 118 23.010 8.494 4.846 1.00 0.63 H new ATOM 0 HG3 MET A 118 22.829 9.428 3.374 1.00 0.63 H new ATOM 0 HE1 MET A 118 23.263 11.541 6.905 1.00 1.34 H new ATOM 0 HE2 MET A 118 23.501 9.781 6.792 1.00 1.34 H new ATOM 0 HE3 MET A 118 24.189 10.854 5.550 1.00 1.34 H new ATOM 1830 N GLU A 119 21.597 5.275 4.777 1.00 0.01 N ATOM 1831 CA GLU A 119 22.342 4.345 5.668 1.00 0.02 C ATOM 1832 C GLU A 119 23.070 3.292 4.829 1.00 0.02 C ATOM 1833 O GLU A 119 24.160 2.864 5.156 1.00 0.01 O ATOM 1834 CB GLU A 119 21.357 3.651 6.611 1.00 0.30 C ATOM 1835 CG GLU A 119 20.801 4.671 7.604 1.00 0.99 C ATOM 1836 CD GLU A 119 21.880 5.026 8.630 1.00 1.69 C ATOM 1837 OE1 GLU A 119 22.455 4.112 9.197 1.00 2.11 O ATOM 1838 OE2 GLU A 119 22.115 6.208 8.829 1.00 2.07 O ATOM 0 H GLU A 119 20.580 5.204 4.816 1.00 0.01 H new ATOM 0 HA GLU A 119 23.073 4.909 6.248 1.00 0.02 H new ATOM 0 HB2 GLU A 119 20.544 3.203 6.040 1.00 0.30 H new ATOM 0 HB3 GLU A 119 21.856 2.842 7.145 1.00 0.30 H new ATOM 0 HG2 GLU A 119 20.477 5.568 7.077 1.00 0.99 H new ATOM 0 HG3 GLU A 119 19.925 4.263 8.108 1.00 0.99 H new ATOM 1845 N GLN A 120 22.449 2.829 3.780 1.00 0.00 N ATOM 1846 CA GLN A 120 23.075 1.752 2.955 1.00 0.01 C ATOM 1847 C GLN A 120 24.135 2.299 1.989 1.00 0.01 C ATOM 1848 O GLN A 120 25.196 1.723 1.843 1.00 0.01 O ATOM 1849 CB GLN A 120 21.980 1.043 2.154 1.00 0.52 C ATOM 1850 CG GLN A 120 22.535 -0.252 1.555 1.00 1.07 C ATOM 1851 CD GLN A 120 22.759 -1.275 2.670 1.00 1.08 C ATOM 1852 OE1 GLN A 120 21.960 -1.386 3.576 1.00 0.98 O ATOM 1853 NE2 GLN A 120 23.822 -2.031 2.641 1.00 2.08 N ATOM 0 H GLN A 120 21.536 3.148 3.457 1.00 0.00 H new ATOM 0 HA GLN A 120 23.575 1.060 3.632 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.130 0.821 2.799 1.00 0.52 H new ATOM 0 HB3 GLN A 120 21.616 1.696 1.360 1.00 0.52 H new ATOM 0 HG2 GLN A 120 21.840 -0.650 0.816 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.473 -0.053 1.036 1.00 1.07 H new ATOM 0 HE21 GLN A 120 24.494 -1.938 1.879 1.00 2.08 H new ATOM 0 HE22 GLN A 120 23.981 -2.716 3.380 1.00 2.08 H new ATOM 1862 N PHE A 121 23.831 3.358 1.275 1.00 0.02 N ATOM 1863 CA PHE A 121 24.797 3.888 0.251 1.00 0.01 C ATOM 1864 C PHE A 121 25.397 5.239 0.650 1.00 0.01 C ATOM 1865 O PHE A 121 26.188 5.804 -0.078 1.00 0.01 O ATOM 1866 CB PHE A 121 24.066 4.037 -1.082 1.00 0.01 C ATOM 1867 CG PHE A 121 23.384 2.735 -1.429 1.00 0.01 C ATOM 1868 CD1 PHE A 121 24.089 1.737 -2.113 1.00 0.01 C ATOM 1869 CD2 PHE A 121 22.049 2.525 -1.068 1.00 0.01 C ATOM 1870 CE1 PHE A 121 23.458 0.530 -2.436 1.00 0.01 C ATOM 1871 CE2 PHE A 121 21.417 1.317 -1.393 1.00 0.01 C ATOM 1872 CZ PHE A 121 22.123 0.320 -2.076 1.00 0.01 C ATOM 0 H PHE A 121 22.958 3.879 1.355 1.00 0.02 H new ATOM 0 HA PHE A 121 25.621 3.179 0.173 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.331 4.839 -1.018 1.00 0.01 H new ATOM 0 HB3 PHE A 121 24.771 4.312 -1.867 1.00 0.01 H new ATOM 0 HD1 PHE A 121 25.120 1.899 -2.391 1.00 0.01 H new ATOM 0 HD2 PHE A 121 21.505 3.294 -0.539 1.00 0.01 H new ATOM 0 HE1 PHE A 121 24.002 -0.239 -2.963 1.00 0.01 H new ATOM 0 HE2 PHE A 121 20.386 1.156 -1.117 1.00 0.01 H new ATOM 0 HZ PHE A 121 21.637 -0.612 -2.325 1.00 0.01 H new ATOM 1882 N HIS A 122 25.036 5.772 1.783 1.00 0.01 N ATOM 1883 CA HIS A 122 25.599 7.089 2.194 1.00 0.01 C ATOM 1884 C HIS A 122 25.230 8.148 1.151 1.00 0.01 C ATOM 1885 O HIS A 122 25.980 9.071 0.899 1.00 0.02 O ATOM 1886 CB HIS A 122 27.121 6.972 2.323 1.00 0.01 C ATOM 1887 CG HIS A 122 27.473 5.641 2.933 1.00 0.01 C ATOM 1888 ND1 HIS A 122 27.481 4.467 2.194 1.00 0.01 N ATOM 1889 CD2 HIS A 122 27.827 5.281 4.209 1.00 0.01 C ATOM 1890 CE1 HIS A 122 27.831 3.467 3.025 1.00 0.00 C ATOM 1891 NE2 HIS A 122 28.052 3.909 4.265 1.00 0.01 N ATOM 0 H HIS A 122 24.378 5.355 2.441 1.00 0.01 H new ATOM 0 HA HIS A 122 25.185 7.386 3.158 1.00 0.01 H new ATOM 0 HB2 HIS A 122 27.588 7.070 1.343 1.00 0.01 H new ATOM 0 HB3 HIS A 122 27.507 7.781 2.942 1.00 0.01 H new ATOM 0 HD2 HIS A 122 27.917 5.960 5.044 1.00 0.01 H new ATOM 0 HE1 HIS A 122 27.922 2.434 2.725 1.00 0.00 H new ATOM 0 HE2 HIS A 122 28.327 3.359 5.079 1.00 0.01 H new ATOM 1899 N LEU A 123 24.072 8.018 0.544 1.00 0.01 N ATOM 1900 CA LEU A 123 23.628 9.013 -0.494 1.00 0.01 C ATOM 1901 C LEU A 123 22.429 9.792 0.051 1.00 0.02 C ATOM 1902 O LEU A 123 21.518 9.228 0.625 1.00 0.01 O ATOM 1903 CB LEU A 123 23.212 8.263 -1.778 1.00 0.01 C ATOM 1904 CG LEU A 123 24.441 7.987 -2.670 1.00 0.01 C ATOM 1905 CD1 LEU A 123 24.147 6.817 -3.618 1.00 0.01 C ATOM 1906 CD2 LEU A 123 24.770 9.225 -3.519 1.00 0.01 C ATOM 0 H LEU A 123 23.410 7.262 0.722 1.00 0.01 H new ATOM 0 HA LEU A 123 24.443 9.699 -0.725 1.00 0.01 H new ATOM 0 HB2 LEU A 123 22.728 7.322 -1.515 1.00 0.01 H new ATOM 0 HB3 LEU A 123 22.481 8.854 -2.330 1.00 0.01 H new ATOM 0 HG LEU A 123 25.285 7.745 -2.024 1.00 0.01 H new ATOM 0 HD11 LEU A 123 25.019 6.628 -4.244 1.00 0.01 H new ATOM 0 HD12 LEU A 123 23.919 5.925 -3.035 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.294 7.066 -4.249 1.00 0.01 H new ATOM 0 HD21 LEU A 123 25.639 9.017 -4.144 1.00 0.01 H new ATOM 0 HD22 LEU A 123 23.917 9.469 -4.153 1.00 0.01 H new ATOM 0 HD23 LEU A 123 24.988 10.068 -2.864 1.00 0.01 H new ATOM 1918 N ARG A 124 22.424 11.090 -0.119 1.00 0.01 N ATOM 1919 CA ARG A 124 21.288 11.913 0.392 1.00 0.00 C ATOM 1920 C ARG A 124 20.218 12.068 -0.693 1.00 0.01 C ATOM 1921 O ARG A 124 19.069 12.343 -0.409 1.00 0.01 O ATOM 1922 CB ARG A 124 21.800 13.298 0.793 1.00 1.67 C ATOM 1923 CG ARG A 124 22.650 13.183 2.062 1.00 1.98 C ATOM 1924 CD ARG A 124 23.326 14.526 2.345 1.00 2.92 C ATOM 1925 NE ARG A 124 24.178 14.406 3.561 1.00 3.54 N ATOM 1926 CZ ARG A 124 25.077 15.318 3.818 1.00 4.57 C ATOM 1927 NH1 ARG A 124 25.227 16.332 3.011 1.00 5.25 N ATOM 1928 NH2 ARG A 124 25.823 15.218 4.884 1.00 5.32 N ATOM 0 H ARG A 124 23.160 11.616 -0.591 1.00 0.01 H new ATOM 0 HA ARG A 124 20.852 11.414 1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 124 22.392 13.726 -0.016 1.00 1.67 H new ATOM 0 HB3 ARG A 124 20.960 13.972 0.965 1.00 1.67 H new ATOM 0 HG2 ARG A 124 22.025 12.893 2.907 1.00 1.98 H new ATOM 0 HG3 ARG A 124 23.402 12.404 1.940 1.00 1.98 H new ATOM 0 HD2 ARG A 124 23.933 14.827 1.491 1.00 2.92 H new ATOM 0 HD3 ARG A 124 22.573 15.301 2.490 1.00 2.92 H new ATOM 0 HE ARG A 124 24.060 13.613 4.192 1.00 3.54 H new ATOM 0 HH11 ARG A 124 24.642 16.413 2.179 1.00 5.25 H new ATOM 0 HH12 ARG A 124 25.929 17.044 3.212 1.00 5.25 H new ATOM 0 HH21 ARG A 124 25.704 14.427 5.517 1.00 5.32 H new ATOM 0 HH22 ARG A 124 26.525 15.931 5.084 1.00 5.32 H new ATOM 1942 N GLU A 125 20.591 11.914 -1.939 1.00 0.01 N ATOM 1943 CA GLU A 125 19.607 12.075 -3.055 1.00 0.01 C ATOM 1944 C GLU A 125 19.994 11.166 -4.227 1.00 0.01 C ATOM 1945 O GLU A 125 21.111 10.699 -4.316 1.00 0.01 O ATOM 1946 CB GLU A 125 19.623 13.528 -3.536 1.00 0.01 C ATOM 1947 CG GLU A 125 19.040 14.431 -2.446 1.00 0.01 C ATOM 1948 CD GLU A 125 18.838 15.840 -3.005 1.00 0.02 C ATOM 1949 OE1 GLU A 125 19.359 16.113 -4.074 1.00 0.01 O ATOM 1950 OE2 GLU A 125 18.167 16.623 -2.354 1.00 0.02 O ATOM 0 H GLU A 125 21.540 11.682 -2.233 1.00 0.01 H new ATOM 0 HA GLU A 125 18.614 11.807 -2.695 1.00 0.01 H new ATOM 0 HB2 GLU A 125 20.643 13.834 -3.770 1.00 0.01 H new ATOM 0 HB3 GLU A 125 19.042 13.625 -4.453 1.00 0.01 H new ATOM 0 HG2 GLU A 125 18.090 14.028 -2.095 1.00 0.01 H new ATOM 0 HG3 GLU A 125 19.710 14.462 -1.587 1.00 0.01 H new ATOM 1957 N ILE A 126 19.083 10.942 -5.144 1.00 0.01 N ATOM 1958 CA ILE A 126 19.393 10.094 -6.345 1.00 0.01 C ATOM 1959 C ILE A 126 18.912 10.847 -7.588 1.00 0.01 C ATOM 1960 O ILE A 126 17.792 11.316 -7.634 1.00 0.01 O ATOM 1961 CB ILE A 126 18.670 8.740 -6.233 1.00 1.33 C ATOM 1962 CG1 ILE A 126 19.433 7.865 -5.228 1.00 1.49 C ATOM 1963 CG2 ILE A 126 18.642 8.043 -7.607 1.00 2.17 C ATOM 1964 CD1 ILE A 126 18.704 6.537 -5.019 1.00 1.70 C ATOM 0 H ILE A 126 18.133 11.311 -5.114 1.00 0.01 H new ATOM 0 HA ILE A 126 20.464 9.903 -6.410 1.00 0.01 H new ATOM 0 HB ILE A 126 17.644 8.894 -5.898 1.00 1.33 H new ATOM 0 HG12 ILE A 126 20.444 7.679 -5.591 1.00 1.49 H new ATOM 0 HG13 ILE A 126 19.527 8.389 -4.277 1.00 1.49 H new ATOM 0 HG21 ILE A 126 18.129 7.086 -7.519 1.00 2.17 H new ATOM 0 HG22 ILE A 126 18.115 8.673 -8.324 1.00 2.17 H new ATOM 0 HG23 ILE A 126 19.663 7.877 -7.952 1.00 2.17 H new ATOM 0 HD11 ILE A 126 19.257 5.927 -4.304 1.00 1.70 H new ATOM 0 HD12 ILE A 126 17.702 6.728 -4.635 1.00 1.70 H new ATOM 0 HD13 ILE A 126 18.633 6.007 -5.969 1.00 1.70 H new ATOM 1976 N HIS A 127 19.760 11.004 -8.582 1.00 0.01 N ATOM 1977 CA HIS A 127 19.352 11.774 -9.804 1.00 0.01 C ATOM 1978 C HIS A 127 19.149 10.866 -11.021 1.00 0.01 C ATOM 1979 O HIS A 127 18.572 11.273 -12.009 1.00 0.01 O ATOM 1980 CB HIS A 127 20.418 12.821 -10.127 1.00 0.02 C ATOM 1981 CG HIS A 127 20.653 13.687 -8.921 1.00 0.01 C ATOM 1982 ND1 HIS A 127 19.644 14.444 -8.345 1.00 0.01 N ATOM 1983 CD2 HIS A 127 21.776 13.926 -8.169 1.00 0.01 C ATOM 1984 CE1 HIS A 127 20.176 15.096 -7.296 1.00 0.01 C ATOM 1985 NE2 HIS A 127 21.473 14.816 -7.144 1.00 0.02 N ATOM 0 H HIS A 127 20.711 10.635 -8.599 1.00 0.01 H new ATOM 0 HA HIS A 127 18.398 12.254 -9.586 1.00 0.01 H new ATOM 0 HB2 HIS A 127 21.346 12.331 -10.422 1.00 0.02 H new ATOM 0 HB3 HIS A 127 20.098 13.433 -10.970 1.00 0.02 H new ATOM 0 HD2 HIS A 127 22.748 13.489 -8.346 1.00 0.01 H new ATOM 0 HE1 HIS A 127 19.622 15.765 -6.654 1.00 0.01 H new ATOM 0 HE2 HIS A 127 22.105 15.177 -6.430 1.00 0.02 H new ATOM 1993 N SER A 128 19.583 9.633 -10.954 1.00 0.01 N ATOM 1994 CA SER A 128 19.372 8.704 -12.100 1.00 0.01 C ATOM 1995 C SER A 128 19.487 7.261 -11.598 1.00 0.01 C ATOM 1996 O SER A 128 20.198 6.980 -10.652 1.00 0.01 O ATOM 1997 CB SER A 128 20.429 8.963 -13.175 1.00 0.01 C ATOM 1998 OG SER A 128 20.064 10.116 -13.920 1.00 0.01 O ATOM 0 H SER A 128 20.074 9.232 -10.155 1.00 0.01 H new ATOM 0 HA SER A 128 18.383 8.866 -12.529 1.00 0.01 H new ATOM 0 HB2 SER A 128 21.406 9.107 -12.714 1.00 0.01 H new ATOM 0 HB3 SER A 128 20.513 8.100 -13.835 1.00 0.01 H new ATOM 0 HG SER A 128 19.368 10.610 -13.438 1.00 0.01 H new ATOM 2004 N CYS A 129 18.800 6.346 -12.227 1.00 0.01 N ATOM 2005 CA CYS A 129 18.862 4.924 -11.790 1.00 0.01 C ATOM 2006 C CYS A 129 18.195 4.052 -12.855 1.00 0.00 C ATOM 2007 O CYS A 129 17.266 4.486 -13.509 1.00 0.01 O ATOM 2008 CB CYS A 129 18.125 4.759 -10.459 1.00 0.69 C ATOM 2009 SG CYS A 129 16.355 5.036 -10.714 1.00 1.22 S ATOM 0 H CYS A 129 18.196 6.525 -13.029 1.00 0.01 H new ATOM 0 HA CYS A 129 19.902 4.624 -11.660 1.00 0.01 H new ATOM 0 HB2 CYS A 129 18.294 3.759 -10.059 1.00 0.69 H new ATOM 0 HB3 CYS A 129 18.513 5.466 -9.726 1.00 0.69 H new ATOM 0 HG CYS A 129 16.140 6.300 -10.926 1.00 1.22 H new ATOM 2015 N LYS A 130 18.654 2.832 -13.046 1.00 0.01 N ATOM 2016 CA LYS A 130 18.032 1.945 -14.086 1.00 0.01 C ATOM 2017 C LYS A 130 17.507 0.663 -13.430 1.00 0.01 C ATOM 2018 O LYS A 130 18.247 -0.187 -12.968 1.00 0.01 O ATOM 2019 CB LYS A 130 19.079 1.594 -15.161 1.00 0.55 C ATOM 2020 CG LYS A 130 18.380 1.260 -16.485 1.00 0.80 C ATOM 2021 CD LYS A 130 19.428 0.873 -17.528 1.00 0.29 C ATOM 2022 CE LYS A 130 18.736 0.523 -18.846 1.00 0.33 C ATOM 2023 NZ LYS A 130 17.968 -0.743 -18.679 1.00 1.41 N ATOM 0 H LYS A 130 19.428 2.415 -12.529 1.00 0.01 H new ATOM 0 HA LYS A 130 17.200 2.470 -14.555 1.00 0.01 H new ATOM 0 HB2 LYS A 130 19.762 2.432 -15.302 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.679 0.745 -14.833 1.00 0.55 H new ATOM 0 HG2 LYS A 130 17.675 0.441 -16.340 1.00 0.80 H new ATOM 0 HG3 LYS A 130 17.805 2.118 -16.832 1.00 0.80 H new ATOM 0 HD2 LYS A 130 20.126 1.696 -17.680 1.00 0.29 H new ATOM 0 HD3 LYS A 130 20.011 0.022 -17.174 1.00 0.29 H new ATOM 0 HE2 LYS A 130 18.067 1.331 -19.144 1.00 0.33 H new ATOM 0 HE3 LYS A 130 19.475 0.411 -19.639 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 17.754 -1.145 -19.614 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 18.534 -1.422 -18.131 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 17.080 -0.546 -18.175 1.00 1.41 H new ATOM 2037 N VAL A 131 16.211 0.540 -13.406 1.00 0.01 N ATOM 2038 CA VAL A 131 15.528 -0.651 -12.822 1.00 0.01 C ATOM 2039 C VAL A 131 14.901 -1.432 -13.976 1.00 0.01 C ATOM 2040 O VAL A 131 14.174 -0.865 -14.768 1.00 0.01 O ATOM 2041 CB VAL A 131 14.429 -0.180 -11.856 1.00 0.01 C ATOM 2042 CG1 VAL A 131 14.064 -1.313 -10.894 1.00 0.01 C ATOM 2043 CG2 VAL A 131 14.936 1.027 -11.058 1.00 0.01 C ATOM 0 H VAL A 131 15.572 1.241 -13.781 1.00 0.01 H new ATOM 0 HA VAL A 131 16.233 -1.277 -12.275 1.00 0.01 H new ATOM 0 HB VAL A 131 13.545 0.104 -12.426 1.00 0.01 H new ATOM 0 HG11 VAL A 131 13.285 -0.974 -10.211 1.00 0.01 H new ATOM 0 HG12 VAL A 131 13.701 -2.170 -11.462 1.00 0.01 H new ATOM 0 HG13 VAL A 131 14.946 -1.603 -10.323 1.00 0.01 H new ATOM 0 HG21 VAL A 131 14.158 1.363 -10.372 1.00 0.01 H new ATOM 0 HG22 VAL A 131 15.822 0.742 -10.490 1.00 0.01 H new ATOM 0 HG23 VAL A 131 15.189 1.836 -11.743 1.00 0.01 H new ATOM 2053 N VAL A 132 15.122 -2.727 -14.073 1.00 0.01 N ATOM 2054 CA VAL A 132 14.483 -3.518 -15.151 1.00 0.01 C ATOM 2055 C VAL A 132 13.823 -4.724 -14.498 1.00 0.00 C ATOM 2056 O VAL A 132 14.409 -5.773 -14.313 1.00 0.01 O ATOM 2057 CB VAL A 132 15.553 -3.990 -16.140 1.00 1.22 C ATOM 2058 CG1 VAL A 132 14.882 -4.635 -17.352 1.00 1.00 C ATOM 2059 CG2 VAL A 132 16.386 -2.792 -16.600 1.00 1.98 C ATOM 0 H VAL A 132 15.722 -3.261 -13.444 1.00 0.01 H new ATOM 0 HA VAL A 132 13.748 -2.920 -15.690 1.00 0.01 H new ATOM 0 HB VAL A 132 16.199 -4.719 -15.652 1.00 1.22 H new ATOM 0 HG11 VAL A 132 15.645 -4.970 -18.055 1.00 1.00 H new ATOM 0 HG12 VAL A 132 14.287 -5.489 -17.027 1.00 1.00 H new ATOM 0 HG13 VAL A 132 14.234 -3.907 -17.840 1.00 1.00 H new ATOM 0 HG21 VAL A 132 17.148 -3.127 -17.304 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.738 -2.063 -17.087 1.00 1.98 H new ATOM 0 HG23 VAL A 132 16.867 -2.331 -15.738 1.00 1.98 H new ATOM 2069 N GLU A 133 12.584 -4.559 -14.199 1.00 0.01 N ATOM 2070 CA GLU A 133 11.754 -5.639 -13.597 1.00 0.01 C ATOM 2071 C GLU A 133 10.344 -5.426 -14.127 1.00 0.01 C ATOM 2072 O GLU A 133 9.871 -6.135 -14.993 1.00 0.01 O ATOM 2073 CB GLU A 133 11.774 -5.522 -12.069 1.00 0.00 C ATOM 2074 CG GLU A 133 11.024 -6.705 -11.448 1.00 0.00 C ATOM 2075 CD GLU A 133 9.515 -6.487 -11.587 1.00 0.00 C ATOM 2076 OE1 GLU A 133 9.073 -5.374 -11.349 1.00 0.00 O ATOM 2077 OE2 GLU A 133 8.828 -7.436 -11.929 1.00 0.00 O ATOM 0 H GLU A 133 12.081 -3.685 -14.350 1.00 0.01 H new ATOM 0 HA GLU A 133 12.129 -6.630 -13.854 1.00 0.01 H new ATOM 0 HB2 GLU A 133 12.803 -5.503 -11.710 1.00 0.00 H new ATOM 0 HB3 GLU A 133 11.312 -4.584 -11.761 1.00 0.00 H new ATOM 0 HG2 GLU A 133 11.315 -7.632 -11.942 1.00 0.00 H new ATOM 0 HG3 GLU A 133 11.292 -6.806 -10.396 1.00 0.00 H new ATOM 2084 N GLY A 134 9.669 -4.446 -13.599 1.00 0.01 N ATOM 2085 CA GLY A 134 8.283 -4.157 -14.041 1.00 0.01 C ATOM 2086 C GLY A 134 7.679 -3.115 -13.101 1.00 0.01 C ATOM 2087 O GLY A 134 7.495 -1.973 -13.467 1.00 0.01 O ATOM 0 H GLY A 134 10.025 -3.827 -12.871 1.00 0.01 H new ATOM 0 HA2 GLY A 134 8.282 -3.787 -15.066 1.00 0.01 H new ATOM 0 HA3 GLY A 134 7.685 -5.068 -14.030 1.00 0.01 H new ATOM 2091 N THR A 135 7.374 -3.505 -11.887 1.00 0.01 N ATOM 2092 CA THR A 135 6.782 -2.546 -10.898 1.00 0.01 C ATOM 2093 C THR A 135 7.698 -2.414 -9.672 1.00 0.01 C ATOM 2094 O THR A 135 7.896 -3.349 -8.927 1.00 0.01 O ATOM 2095 CB THR A 135 5.414 -3.065 -10.453 1.00 1.43 C ATOM 2096 OG1 THR A 135 5.593 -4.150 -9.555 1.00 1.92 O ATOM 2097 CG2 THR A 135 4.618 -3.532 -11.673 1.00 2.30 C ATOM 0 H THR A 135 7.510 -4.453 -11.535 1.00 0.01 H new ATOM 0 HA THR A 135 6.676 -1.568 -11.368 1.00 0.01 H new ATOM 0 HB THR A 135 4.866 -2.266 -9.954 1.00 1.43 H new ATOM 0 HG1 THR A 135 6.551 -4.309 -9.420 1.00 1.92 H new ATOM 0 HG21 THR A 135 3.644 -3.901 -11.352 1.00 2.30 H new ATOM 0 HG22 THR A 135 4.481 -2.697 -12.360 1.00 2.30 H new ATOM 0 HG23 THR A 135 5.161 -4.331 -12.177 1.00 2.30 H new ATOM 2105 N TRP A 136 8.233 -1.238 -9.458 1.00 0.01 N ATOM 2106 CA TRP A 136 9.123 -0.983 -8.273 1.00 0.01 C ATOM 2107 C TRP A 136 8.542 0.228 -7.540 1.00 0.01 C ATOM 2108 O TRP A 136 7.951 1.085 -8.165 1.00 0.00 O ATOM 2109 CB TRP A 136 10.560 -0.693 -8.745 1.00 0.01 C ATOM 2110 CG TRP A 136 11.330 -1.975 -8.847 1.00 0.01 C ATOM 2111 CD1 TRP A 136 11.001 -3.018 -9.643 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.544 -2.363 -8.142 1.00 0.01 C ATOM 2113 NE1 TRP A 136 11.937 -4.021 -9.470 1.00 0.00 N ATOM 2114 CE2 TRP A 136 12.908 -3.665 -8.556 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.355 -1.718 -7.194 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 14.039 -4.303 -8.047 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.493 -2.358 -6.679 1.00 0.01 C ATOM 2118 CH2 TRP A 136 14.834 -3.648 -7.105 1.00 0.01 C ATOM 0 H TRP A 136 8.091 -0.428 -10.062 1.00 0.01 H new ATOM 0 HA TRP A 136 9.164 -1.850 -7.614 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.540 -0.192 -9.713 1.00 0.01 H new ATOM 0 HB3 TRP A 136 11.053 -0.017 -8.046 1.00 0.01 H new ATOM 0 HD1 TRP A 136 10.148 -3.060 -10.304 1.00 0.01 H new ATOM 0 HE1 TRP A 136 11.913 -4.916 -9.959 1.00 0.00 H new ATOM 0 HE3 TRP A 136 13.101 -0.723 -6.859 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.298 -5.297 -8.380 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 15.109 -1.853 -5.950 1.00 0.01 H new ATOM 0 HH2 TRP A 136 15.711 -4.135 -6.705 1.00 0.01 H new ATOM 2129 N ILE A 137 8.689 0.337 -6.232 1.00 0.01 N ATOM 2130 CA ILE A 137 8.122 1.526 -5.513 1.00 0.00 C ATOM 2131 C ILE A 137 9.221 2.270 -4.755 1.00 0.01 C ATOM 2132 O ILE A 137 10.063 1.684 -4.100 1.00 0.01 O ATOM 2133 CB ILE A 137 7.072 1.065 -4.501 1.00 0.60 C ATOM 2134 CG1 ILE A 137 5.962 0.298 -5.225 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.476 2.293 -3.805 1.00 1.37 C ATOM 2136 CD1 ILE A 137 5.013 -0.340 -4.202 1.00 1.69 C ATOM 0 H ILE A 137 9.172 -0.340 -5.641 1.00 0.01 H new ATOM 0 HA ILE A 137 7.674 2.188 -6.254 1.00 0.00 H new ATOM 0 HB ILE A 137 7.536 0.411 -3.762 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.407 0.973 -5.877 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.397 -0.473 -5.861 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.726 1.973 -3.082 1.00 1.37 H new ATOM 0 HG22 ILE A 137 7.267 2.839 -3.291 1.00 1.37 H new ATOM 0 HG23 ILE A 137 6.011 2.942 -4.547 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.226 -0.884 -4.725 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.571 -1.030 -3.569 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.566 0.439 -3.584 1.00 1.69 H new ATOM 2148 N PHE A 138 9.181 3.571 -4.825 1.00 0.01 N ATOM 2149 CA PHE A 138 10.172 4.426 -4.103 1.00 0.01 C ATOM 2150 C PHE A 138 9.403 5.213 -3.043 1.00 0.01 C ATOM 2151 O PHE A 138 8.283 5.616 -3.274 1.00 0.00 O ATOM 2152 CB PHE A 138 10.826 5.389 -5.091 1.00 1.11 C ATOM 2153 CG PHE A 138 11.844 4.642 -5.922 1.00 1.11 C ATOM 2154 CD1 PHE A 138 13.136 4.431 -5.426 1.00 1.54 C ATOM 2155 CD2 PHE A 138 11.495 4.158 -7.188 1.00 1.46 C ATOM 2156 CE1 PHE A 138 14.078 3.738 -6.195 1.00 2.35 C ATOM 2157 CE2 PHE A 138 12.436 3.463 -7.957 1.00 2.01 C ATOM 2158 CZ PHE A 138 13.728 3.253 -7.461 1.00 2.49 C ATOM 0 H PHE A 138 8.489 4.091 -5.364 1.00 0.01 H new ATOM 0 HA PHE A 138 10.952 3.820 -3.642 1.00 0.01 H new ATOM 0 HB2 PHE A 138 10.069 5.834 -5.737 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.308 6.206 -4.554 1.00 1.11 H new ATOM 0 HD1 PHE A 138 13.406 4.803 -4.449 1.00 1.54 H new ATOM 0 HD2 PHE A 138 10.499 4.321 -7.572 1.00 1.46 H new ATOM 0 HE1 PHE A 138 15.075 3.577 -5.812 1.00 2.35 H new ATOM 0 HE2 PHE A 138 12.165 3.089 -8.933 1.00 2.01 H new ATOM 0 HZ PHE A 138 14.454 2.717 -8.054 1.00 2.49 H new ATOM 2168 N TYR A 139 9.987 5.446 -1.888 1.00 0.01 N ATOM 2169 CA TYR A 139 9.278 6.217 -0.814 1.00 0.01 C ATOM 2170 C TYR A 139 10.120 7.430 -0.415 1.00 0.01 C ATOM 2171 O TYR A 139 11.338 7.390 -0.433 1.00 0.01 O ATOM 2172 CB TYR A 139 9.064 5.321 0.407 1.00 0.01 C ATOM 2173 CG TYR A 139 8.422 4.020 -0.022 1.00 0.01 C ATOM 2174 CD1 TYR A 139 9.173 3.065 -0.716 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.078 3.767 0.278 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.582 1.858 -1.112 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.487 2.560 -0.118 1.00 0.02 C ATOM 2178 CZ TYR A 139 7.239 1.606 -0.812 1.00 0.02 C ATOM 2179 OH TYR A 139 6.655 0.417 -1.200 1.00 0.00 O ATOM 0 H TYR A 139 10.927 5.134 -1.643 1.00 0.01 H new ATOM 0 HA TYR A 139 8.311 6.553 -1.190 1.00 0.01 H new ATOM 0 HB2 TYR A 139 10.018 5.123 0.897 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.431 5.827 1.135 1.00 0.01 H new ATOM 0 HD1 TYR A 139 10.210 3.259 -0.947 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.497 4.502 0.815 1.00 0.01 H new ATOM 0 HE1 TYR A 139 9.163 1.122 -1.649 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.450 2.366 0.113 1.00 0.02 H new ATOM 0 HH TYR A 139 5.718 0.403 -0.912 1.00 0.00 H new ATOM 2189 N GLU A 140 9.472 8.526 -0.112 1.00 0.01 N ATOM 2190 CA GLU A 140 10.208 9.782 0.220 1.00 0.02 C ATOM 2191 C GLU A 140 10.836 9.720 1.616 1.00 0.01 C ATOM 2192 O GLU A 140 11.855 10.337 1.848 1.00 0.01 O ATOM 2193 CB GLU A 140 9.198 10.931 0.176 1.00 0.01 C ATOM 2194 CG GLU A 140 9.943 12.269 0.132 1.00 0.02 C ATOM 2195 CD GLU A 140 10.500 12.503 -1.274 1.00 0.02 C ATOM 2196 OE1 GLU A 140 10.383 11.606 -2.093 1.00 0.02 O ATOM 2197 OE2 GLU A 140 11.033 13.574 -1.507 1.00 0.01 O ATOM 0 H GLU A 140 8.456 8.604 -0.080 1.00 0.01 H new ATOM 0 HA GLU A 140 11.016 9.924 -0.498 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.557 10.831 -0.700 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.550 10.893 1.052 1.00 0.01 H new ATOM 0 HG2 GLU A 140 9.269 13.081 0.406 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.754 12.269 0.860 1.00 0.02 H new ATOM 2204 N LEU A 141 10.255 8.998 2.552 1.00 0.01 N ATOM 2205 CA LEU A 141 10.852 8.930 3.931 1.00 0.02 C ATOM 2206 C LEU A 141 11.272 7.475 4.221 1.00 0.01 C ATOM 2207 O LEU A 141 10.713 6.548 3.664 1.00 0.01 O ATOM 2208 CB LEU A 141 9.782 9.375 4.949 1.00 0.57 C ATOM 2209 CG LEU A 141 9.767 10.912 5.074 1.00 0.81 C ATOM 2210 CD1 LEU A 141 8.409 11.371 5.613 1.00 1.48 C ATOM 2211 CD2 LEU A 141 10.868 11.386 6.037 1.00 1.24 C ATOM 0 H LEU A 141 9.400 8.457 2.422 1.00 0.01 H new ATOM 0 HA LEU A 141 11.724 9.580 4.004 1.00 0.02 H new ATOM 0 HB2 LEU A 141 8.801 9.020 4.634 1.00 0.57 H new ATOM 0 HB3 LEU A 141 9.987 8.926 5.921 1.00 0.57 H new ATOM 0 HG LEU A 141 9.944 11.340 4.087 1.00 0.81 H new ATOM 0 HD11 LEU A 141 8.401 12.457 5.701 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.621 11.056 4.929 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.238 10.927 6.593 1.00 1.48 H new ATOM 0 HD21 LEU A 141 10.842 12.473 6.113 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.702 10.950 7.022 1.00 1.24 H new ATOM 0 HD23 LEU A 141 11.841 11.072 5.660 1.00 1.24 H new ATOM 2223 N PRO A 142 12.246 7.265 5.089 1.00 0.01 N ATOM 2224 CA PRO A 142 12.713 5.884 5.411 1.00 0.01 C ATOM 2225 C PRO A 142 11.580 4.956 5.867 1.00 0.01 C ATOM 2226 O PRO A 142 10.470 5.372 6.146 1.00 0.01 O ATOM 2227 CB PRO A 142 13.735 6.125 6.546 1.00 0.01 C ATOM 2228 CG PRO A 142 13.729 7.625 6.898 1.00 0.02 C ATOM 2229 CD PRO A 142 12.950 8.372 5.807 1.00 0.01 C ATOM 0 HA PRO A 142 13.130 5.376 4.541 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.476 5.529 7.421 1.00 0.01 H new ATOM 0 HB3 PRO A 142 14.731 5.814 6.231 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.266 7.785 7.872 1.00 0.02 H new ATOM 0 HG3 PRO A 142 14.749 8.004 6.964 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.248 9.091 6.231 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.613 8.927 5.144 1.00 0.01 H new ATOM 2237 N ASN A 143 11.901 3.690 5.952 1.00 0.01 N ATOM 2238 CA ASN A 143 10.923 2.663 6.411 1.00 0.01 C ATOM 2239 C ASN A 143 9.671 2.652 5.537 1.00 0.01 C ATOM 2240 O ASN A 143 8.583 2.352 5.987 1.00 0.01 O ATOM 2241 CB ASN A 143 10.522 2.964 7.857 1.00 0.23 C ATOM 2242 CG ASN A 143 11.782 3.147 8.709 1.00 0.11 C ATOM 2243 OD1 ASN A 143 11.978 4.279 9.328 1.00 0.75 O flip ATOM 2244 ND2 ASN A 143 12.594 2.249 8.812 1.00 0.56 N flip ATOM 0 H ASN A 143 12.822 3.319 5.717 1.00 0.01 H new ATOM 0 HA ASN A 143 11.397 1.684 6.339 1.00 0.01 H new ATOM 0 HB2 ASN A 143 9.910 3.865 7.896 1.00 0.23 H new ATOM 0 HB3 ASN A 143 9.916 2.150 8.255 1.00 0.23 H new ATOM 0 HD21 ASN A 143 12.440 1.364 8.328 1.00 0.56 H new ATOM 0 HD22 ASN A 143 13.429 2.380 9.383 1.00 0.56 H new ATOM 2251 N TYR A 144 9.829 2.953 4.280 1.00 0.01 N ATOM 2252 CA TYR A 144 8.675 2.940 3.344 1.00 0.02 C ATOM 2253 C TYR A 144 7.553 3.853 3.847 1.00 0.01 C ATOM 2254 O TYR A 144 6.400 3.466 3.883 1.00 0.01 O ATOM 2255 CB TYR A 144 8.150 1.503 3.209 1.00 0.01 C ATOM 2256 CG TYR A 144 9.317 0.540 3.241 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.388 0.715 2.357 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.332 -0.522 4.157 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.473 -0.170 2.385 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.418 -1.407 4.184 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.489 -1.230 3.299 1.00 0.01 C ATOM 2262 OH TYR A 144 12.559 -2.100 3.329 1.00 0.01 O ATOM 0 H TYR A 144 10.721 3.211 3.857 1.00 0.01 H new ATOM 0 HA TYR A 144 9.007 3.309 2.374 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.456 1.279 4.020 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.597 1.392 2.276 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.378 1.533 1.652 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.507 -0.658 4.841 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.298 -0.035 1.701 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.429 -2.226 4.888 1.00 0.01 H new ATOM 0 HH TYR A 144 12.411 -2.777 4.022 1.00 0.01 H new ATOM 2272 N ARG A 145 7.882 5.066 4.228 1.00 0.02 N ATOM 2273 CA ARG A 145 6.831 6.022 4.723 1.00 0.01 C ATOM 2274 C ARG A 145 6.843 7.298 3.872 1.00 0.01 C ATOM 2275 O ARG A 145 7.779 7.557 3.142 1.00 0.01 O ATOM 2276 CB ARG A 145 7.134 6.397 6.177 1.00 0.01 C ATOM 2277 CG ARG A 145 6.952 5.169 7.069 1.00 0.02 C ATOM 2278 CD ARG A 145 7.439 5.488 8.483 1.00 0.01 C ATOM 2279 NE ARG A 145 8.849 5.967 8.425 1.00 0.01 N ATOM 2280 CZ ARG A 145 9.372 6.576 9.452 1.00 0.01 C ATOM 2281 NH1 ARG A 145 8.662 6.763 10.530 1.00 0.02 N ATOM 2282 NH2 ARG A 145 10.606 6.998 9.403 1.00 0.01 N ATOM 0 H ARG A 145 8.832 5.438 4.219 1.00 0.02 H new ATOM 0 HA ARG A 145 5.854 5.545 4.652 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.153 6.773 6.262 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.470 7.198 6.503 1.00 0.01 H new ATOM 0 HG2 ARG A 145 5.902 4.876 7.092 1.00 0.02 H new ATOM 0 HG3 ARG A 145 7.510 4.325 6.663 1.00 0.02 H new ATOM 0 HD2 ARG A 145 6.803 6.249 8.935 1.00 0.01 H new ATOM 0 HD3 ARG A 145 7.370 4.600 9.112 1.00 0.01 H new ATOM 0 HE ARG A 145 9.404 5.818 7.582 1.00 0.01 H new ATOM 0 HH11 ARG A 145 7.698 6.433 10.569 1.00 0.02 H new ATOM 0 HH12 ARG A 145 9.071 7.239 11.334 1.00 0.02 H new ATOM 0 HH21 ARG A 145 11.162 6.851 8.561 1.00 0.01 H new ATOM 0 HH22 ARG A 145 11.014 7.474 10.207 1.00 0.01 H new ATOM 2296 N GLY A 146 5.801 8.093 3.947 1.00 0.01 N ATOM 2297 CA GLY A 146 5.743 9.350 3.141 1.00 0.02 C ATOM 2298 C GLY A 146 5.114 9.076 1.770 1.00 0.01 C ATOM 2299 O GLY A 146 4.508 8.048 1.541 1.00 0.02 O ATOM 0 H GLY A 146 4.986 7.922 4.535 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.161 10.103 3.672 1.00 0.02 H new ATOM 0 HA3 GLY A 146 6.747 9.755 3.013 1.00 0.02 H new ATOM 2303 N ARG A 147 5.255 10.002 0.861 1.00 0.01 N ATOM 2304 CA ARG A 147 4.670 9.826 -0.502 1.00 0.01 C ATOM 2305 C ARG A 147 5.433 8.729 -1.239 1.00 0.01 C ATOM 2306 O ARG A 147 6.630 8.573 -1.089 1.00 0.01 O ATOM 2307 CB ARG A 147 4.792 11.142 -1.272 1.00 0.01 C ATOM 2308 CG ARG A 147 4.272 10.950 -2.699 1.00 0.01 C ATOM 2309 CD ARG A 147 4.046 12.317 -3.347 1.00 0.01 C ATOM 2310 NE ARG A 147 5.142 13.244 -2.950 1.00 0.02 N ATOM 2311 CZ ARG A 147 5.324 14.359 -3.605 1.00 0.02 C ATOM 2312 NH1 ARG A 147 4.546 14.660 -4.608 1.00 0.01 N ATOM 2313 NH2 ARG A 147 6.286 15.170 -3.259 1.00 0.02 N ATOM 0 H ARG A 147 5.754 10.880 1.004 1.00 0.01 H new ATOM 0 HA ARG A 147 3.620 9.546 -0.422 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.223 11.924 -0.769 1.00 0.01 H new ATOM 0 HB3 ARG A 147 5.832 11.468 -1.293 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.988 10.372 -3.284 1.00 0.01 H new ATOM 0 HG3 ARG A 147 3.341 10.384 -2.685 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.016 12.216 -4.432 1.00 0.01 H new ATOM 0 HD3 ARG A 147 3.083 12.723 -3.038 1.00 0.01 H new ATOM 0 HE ARG A 147 5.751 13.008 -2.166 1.00 0.02 H new ATOM 0 HH11 ARG A 147 3.796 14.025 -4.880 1.00 0.01 H new ATOM 0 HH12 ARG A 147 4.688 15.531 -5.120 1.00 0.01 H new ATOM 0 HH21 ARG A 147 6.896 14.933 -2.477 1.00 0.02 H new ATOM 0 HH22 ARG A 147 6.428 16.041 -3.771 1.00 0.02 H new ATOM 2327 N GLN A 148 4.724 7.939 -2.011 1.00 0.01 N ATOM 2328 CA GLN A 148 5.358 6.803 -2.746 1.00 0.01 C ATOM 2329 C GLN A 148 5.282 7.041 -4.259 1.00 0.01 C ATOM 2330 O GLN A 148 4.347 7.635 -4.760 1.00 0.01 O ATOM 2331 CB GLN A 148 4.568 5.533 -2.397 1.00 0.00 C ATOM 2332 CG GLN A 148 4.156 5.577 -0.923 1.00 0.02 C ATOM 2333 CD GLN A 148 3.690 4.190 -0.478 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.711 3.876 0.696 1.00 0.02 O ATOM 2335 NE2 GLN A 148 3.266 3.340 -1.372 1.00 0.01 N ATOM 0 H GLN A 148 3.720 8.036 -2.163 1.00 0.01 H new ATOM 0 HA GLN A 148 6.406 6.709 -2.462 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.684 5.456 -3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.176 4.649 -2.589 1.00 0.00 H new ATOM 0 HG2 GLN A 148 4.996 5.903 -0.310 1.00 0.02 H new ATOM 0 HG3 GLN A 148 3.356 6.303 -0.780 1.00 0.02 H new ATOM 0 HE21 GLN A 148 3.248 3.603 -2.357 1.00 0.01 H new ATOM 0 HE22 GLN A 148 2.952 2.413 -1.086 1.00 0.01 H new ATOM 2344 N TYR A 149 6.261 6.559 -4.983 1.00 0.01 N ATOM 2345 CA TYR A 149 6.282 6.714 -6.473 1.00 0.01 C ATOM 2346 C TYR A 149 6.423 5.330 -7.113 1.00 0.01 C ATOM 2347 O TYR A 149 7.216 4.523 -6.670 1.00 0.01 O ATOM 2348 CB TYR A 149 7.467 7.592 -6.881 1.00 0.01 C ATOM 2349 CG TYR A 149 7.170 9.033 -6.543 1.00 0.01 C ATOM 2350 CD1 TYR A 149 6.423 9.821 -7.428 1.00 0.01 C ATOM 2351 CD2 TYR A 149 7.645 9.585 -5.345 1.00 0.01 C ATOM 2352 CE1 TYR A 149 6.149 11.158 -7.116 1.00 0.01 C ATOM 2353 CE2 TYR A 149 7.373 10.922 -5.034 1.00 0.01 C ATOM 2354 CZ TYR A 149 6.624 11.708 -5.919 1.00 0.01 C ATOM 2355 OH TYR A 149 6.357 13.027 -5.614 1.00 0.01 O ATOM 0 H TYR A 149 7.061 6.056 -4.599 1.00 0.01 H new ATOM 0 HA TYR A 149 5.358 7.184 -6.809 1.00 0.01 H new ATOM 0 HB2 TYR A 149 8.369 7.265 -6.364 1.00 0.01 H new ATOM 0 HB3 TYR A 149 7.657 7.490 -7.949 1.00 0.01 H new ATOM 0 HD1 TYR A 149 6.058 9.397 -8.352 1.00 0.01 H new ATOM 0 HD2 TYR A 149 8.221 8.978 -4.662 1.00 0.01 H new ATOM 0 HE1 TYR A 149 5.572 11.765 -7.798 1.00 0.01 H new ATOM 0 HE2 TYR A 149 7.740 11.348 -4.112 1.00 0.01 H new ATOM 0 HH TYR A 149 5.858 13.438 -6.350 1.00 0.01 H new ATOM 2365 N LEU A 150 5.659 5.032 -8.136 1.00 0.01 N ATOM 2366 CA LEU A 150 5.753 3.681 -8.780 1.00 0.01 C ATOM 2367 C LEU A 150 6.611 3.787 -10.047 1.00 0.01 C ATOM 2368 O LEU A 150 6.301 4.534 -10.954 1.00 0.01 O ATOM 2369 CB LEU A 150 4.328 3.216 -9.130 1.00 0.01 C ATOM 2370 CG LEU A 150 4.263 1.682 -9.195 1.00 0.01 C ATOM 2371 CD1 LEU A 150 2.806 1.243 -9.352 1.00 0.01 C ATOM 2372 CD2 LEU A 150 5.084 1.174 -10.387 1.00 0.01 C ATOM 0 H LEU A 150 4.975 5.663 -8.553 1.00 0.01 H new ATOM 0 HA LEU A 150 6.216 2.960 -8.106 1.00 0.01 H new ATOM 0 HB2 LEU A 150 3.625 3.584 -8.383 1.00 0.01 H new ATOM 0 HB3 LEU A 150 4.026 3.640 -10.088 1.00 0.01 H new ATOM 0 HG LEU A 150 4.674 1.265 -8.276 1.00 0.01 H new ATOM 0 HD11 LEU A 150 2.757 0.155 -9.398 1.00 0.01 H new ATOM 0 HD12 LEU A 150 2.226 1.596 -8.500 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.396 1.664 -10.270 1.00 0.01 H new ATOM 0 HD21 LEU A 150 5.033 0.086 -10.427 1.00 0.01 H new ATOM 0 HD22 LEU A 150 4.681 1.590 -11.310 1.00 0.01 H new ATOM 0 HD23 LEU A 150 6.122 1.485 -10.272 1.00 0.01 H new ATOM 2384 N LEU A 151 7.678 3.030 -10.128 1.00 0.01 N ATOM 2385 CA LEU A 151 8.542 3.072 -11.348 1.00 0.01 C ATOM 2386 C LEU A 151 8.141 1.922 -12.274 1.00 0.01 C ATOM 2387 O LEU A 151 7.751 0.860 -11.821 1.00 0.01 O ATOM 2388 CB LEU A 151 10.012 2.917 -10.948 1.00 0.01 C ATOM 2389 CG LEU A 151 10.913 3.144 -12.174 1.00 0.01 C ATOM 2390 CD1 LEU A 151 10.840 4.614 -12.634 1.00 0.01 C ATOM 2391 CD2 LEU A 151 12.360 2.786 -11.808 1.00 0.01 C ATOM 0 H LEU A 151 7.988 2.385 -9.401 1.00 0.01 H new ATOM 0 HA LEU A 151 8.412 4.026 -11.859 1.00 0.01 H new ATOM 0 HB2 LEU A 151 10.262 3.632 -10.164 1.00 0.01 H new ATOM 0 HB3 LEU A 151 10.184 1.922 -10.538 1.00 0.01 H new ATOM 0 HG LEU A 151 10.570 2.509 -12.991 1.00 0.01 H new ATOM 0 HD11 LEU A 151 11.484 4.756 -13.502 1.00 0.01 H new ATOM 0 HD12 LEU A 151 9.812 4.861 -12.900 1.00 0.01 H new ATOM 0 HD13 LEU A 151 11.172 5.265 -11.826 1.00 0.01 H new ATOM 0 HD21 LEU A 151 13.004 2.945 -12.673 1.00 0.01 H new ATOM 0 HD22 LEU A 151 12.694 3.418 -10.986 1.00 0.01 H new ATOM 0 HD23 LEU A 151 12.411 1.740 -11.505 1.00 0.01 H new ATOM 2403 N ASP A 152 8.231 2.122 -13.567 1.00 0.01 N ATOM 2404 CA ASP A 152 7.842 1.048 -14.536 1.00 0.01 C ATOM 2405 C ASP A 152 9.093 0.396 -15.134 1.00 0.00 C ATOM 2406 O ASP A 152 9.994 -0.003 -14.422 1.00 0.01 O ATOM 2407 CB ASP A 152 7.010 1.668 -15.661 1.00 1.04 C ATOM 2408 CG ASP A 152 5.923 2.561 -15.060 1.00 1.54 C ATOM 2409 OD1 ASP A 152 4.956 2.021 -14.548 1.00 1.57 O ATOM 2410 OD2 ASP A 152 6.075 3.770 -15.124 1.00 2.27 O ATOM 0 H ASP A 152 8.559 2.988 -13.995 1.00 0.01 H new ATOM 0 HA ASP A 152 7.261 0.288 -14.014 1.00 0.01 H new ATOM 0 HB2 ASP A 152 7.651 2.252 -16.322 1.00 1.04 H new ATOM 0 HB3 ASP A 152 6.557 0.884 -16.267 1.00 1.04 H new ATOM 2415 N LYS A 153 9.146 0.270 -16.438 1.00 0.01 N ATOM 2416 CA LYS A 153 10.325 -0.376 -17.103 1.00 0.01 C ATOM 2417 C LYS A 153 10.776 0.477 -18.296 1.00 0.01 C ATOM 2418 O LYS A 153 10.923 -0.014 -19.397 1.00 0.01 O ATOM 2419 CB LYS A 153 9.909 -1.765 -17.599 1.00 0.38 C ATOM 2420 CG LYS A 153 11.152 -2.587 -17.956 1.00 0.71 C ATOM 2421 CD LYS A 153 10.741 -3.788 -18.813 1.00 0.72 C ATOM 2422 CE LYS A 153 11.989 -4.547 -19.271 1.00 1.09 C ATOM 2423 NZ LYS A 153 11.626 -5.473 -20.381 1.00 1.84 N ATOM 0 H LYS A 153 8.418 0.589 -17.077 1.00 0.01 H new ATOM 0 HA LYS A 153 11.148 -0.463 -16.394 1.00 0.01 H new ATOM 0 HB2 LYS A 153 9.332 -2.278 -16.829 1.00 0.38 H new ATOM 0 HB3 LYS A 153 9.262 -1.670 -18.471 1.00 0.38 H new ATOM 0 HG2 LYS A 153 11.867 -1.968 -18.498 1.00 0.71 H new ATOM 0 HG3 LYS A 153 11.649 -2.928 -17.048 1.00 0.71 H new ATOM 0 HD2 LYS A 153 10.091 -4.450 -18.241 1.00 0.72 H new ATOM 0 HD3 LYS A 153 10.171 -3.451 -19.679 1.00 0.72 H new ATOM 0 HE2 LYS A 153 12.753 -3.845 -19.604 1.00 1.09 H new ATOM 0 HE3 LYS A 153 12.413 -5.108 -18.438 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 12.473 -5.989 -20.693 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 10.911 -6.150 -20.048 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 11.241 -4.926 -21.177 1.00 1.84 H new ATOM 2437 N LYS A 154 10.997 1.750 -18.080 1.00 0.00 N ATOM 2438 CA LYS A 154 11.444 2.655 -19.191 1.00 0.01 C ATOM 2439 C LYS A 154 12.842 3.192 -18.880 1.00 0.01 C ATOM 2440 O LYS A 154 13.499 2.746 -17.960 1.00 0.00 O ATOM 2441 CB LYS A 154 10.470 3.829 -19.309 1.00 0.39 C ATOM 2442 CG LYS A 154 9.067 3.301 -19.622 1.00 0.48 C ATOM 2443 CD LYS A 154 8.087 4.473 -19.711 1.00 0.97 C ATOM 2444 CE LYS A 154 6.767 3.993 -20.315 1.00 1.44 C ATOM 2445 NZ LYS A 154 6.361 2.713 -19.667 1.00 2.28 N ATOM 0 H LYS A 154 10.887 2.207 -17.175 1.00 0.00 H new ATOM 0 HA LYS A 154 11.466 2.098 -20.128 1.00 0.01 H new ATOM 0 HB2 LYS A 154 10.457 4.399 -18.380 1.00 0.39 H new ATOM 0 HB3 LYS A 154 10.798 4.509 -20.095 1.00 0.39 H new ATOM 0 HG2 LYS A 154 9.076 2.749 -20.562 1.00 0.48 H new ATOM 0 HG3 LYS A 154 8.748 2.605 -18.847 1.00 0.48 H new ATOM 0 HD2 LYS A 154 7.914 4.892 -18.720 1.00 0.97 H new ATOM 0 HD3 LYS A 154 8.511 5.269 -20.324 1.00 0.97 H new ATOM 0 HE2 LYS A 154 5.993 4.747 -20.171 1.00 1.44 H new ATOM 0 HE3 LYS A 154 6.877 3.850 -21.390 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 5.339 2.568 -19.796 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 6.881 1.924 -20.102 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 6.580 2.754 -18.651 1.00 2.28 H new ATOM 2459 N GLU A 155 13.297 4.159 -19.639 1.00 0.01 N ATOM 2460 CA GLU A 155 14.650 4.751 -19.398 1.00 0.01 C ATOM 2461 C GLU A 155 14.466 6.125 -18.757 1.00 0.01 C ATOM 2462 O GLU A 155 14.021 7.060 -19.393 1.00 0.01 O ATOM 2463 CB GLU A 155 15.384 4.907 -20.731 1.00 0.01 C ATOM 2464 CG GLU A 155 16.843 5.286 -20.472 1.00 0.01 C ATOM 2465 CD GLU A 155 17.586 5.396 -21.805 1.00 0.01 C ATOM 2466 OE1 GLU A 155 17.876 4.363 -22.384 1.00 0.01 O ATOM 2467 OE2 GLU A 155 17.850 6.509 -22.223 1.00 0.01 O ATOM 0 H GLU A 155 12.785 4.567 -20.421 1.00 0.01 H new ATOM 0 HA GLU A 155 15.232 4.103 -18.743 1.00 0.01 H new ATOM 0 HB2 GLU A 155 15.334 3.976 -21.296 1.00 0.01 H new ATOM 0 HB3 GLU A 155 14.901 5.674 -21.336 1.00 0.01 H new ATOM 0 HG2 GLU A 155 16.894 6.234 -19.936 1.00 0.01 H new ATOM 0 HG3 GLU A 155 17.318 4.536 -19.840 1.00 0.01 H new ATOM 2474 N TYR A 156 14.781 6.250 -17.493 1.00 0.00 N ATOM 2475 CA TYR A 156 14.599 7.557 -16.793 1.00 0.01 C ATOM 2476 C TYR A 156 15.929 8.310 -16.708 1.00 0.01 C ATOM 2477 O TYR A 156 16.850 7.887 -16.038 1.00 0.01 O ATOM 2478 CB TYR A 156 14.051 7.279 -15.393 1.00 0.01 C ATOM 2479 CG TYR A 156 13.013 6.186 -15.480 1.00 0.00 C ATOM 2480 CD1 TYR A 156 11.674 6.510 -15.731 1.00 0.01 C ATOM 2481 CD2 TYR A 156 13.391 4.848 -15.318 1.00 0.01 C ATOM 2482 CE1 TYR A 156 10.712 5.495 -15.817 1.00 0.01 C ATOM 2483 CE2 TYR A 156 12.431 3.833 -15.405 1.00 0.01 C ATOM 2484 CZ TYR A 156 11.091 4.157 -15.654 1.00 0.01 C ATOM 2485 OH TYR A 156 10.145 3.156 -15.739 1.00 0.01 O ATOM 0 H TYR A 156 15.158 5.500 -16.914 1.00 0.00 H new ATOM 0 HA TYR A 156 13.900 8.182 -17.349 1.00 0.01 H new ATOM 0 HB2 TYR A 156 14.859 6.979 -14.725 1.00 0.01 H new ATOM 0 HB3 TYR A 156 13.611 8.184 -14.974 1.00 0.01 H new ATOM 0 HD1 TYR A 156 11.383 7.542 -15.858 1.00 0.01 H new ATOM 0 HD2 TYR A 156 14.424 4.599 -15.126 1.00 0.01 H new ATOM 0 HE1 TYR A 156 9.679 5.744 -16.009 1.00 0.01 H new ATOM 0 HE2 TYR A 156 12.723 2.801 -15.280 1.00 0.01 H new ATOM 0 HH TYR A 156 9.489 3.384 -16.431 1.00 0.01 H new ATOM 2495 N ARG A 157 16.048 9.405 -17.411 1.00 0.01 N ATOM 2496 CA ARG A 157 17.334 10.170 -17.405 1.00 0.01 C ATOM 2497 C ARG A 157 17.295 11.323 -16.394 1.00 0.00 C ATOM 2498 O ARG A 157 18.327 11.787 -15.953 1.00 0.01 O ATOM 2499 CB ARG A 157 17.573 10.744 -18.803 1.00 0.01 C ATOM 2500 CG ARG A 157 19.009 11.259 -18.906 1.00 0.01 C ATOM 2501 CD ARG A 157 19.232 11.880 -20.287 1.00 0.00 C ATOM 2502 NE ARG A 157 19.064 10.833 -21.332 1.00 0.01 N ATOM 2503 CZ ARG A 157 18.907 11.177 -22.581 1.00 0.01 C ATOM 2504 NH1 ARG A 157 18.891 12.438 -22.914 1.00 0.01 N ATOM 2505 NH2 ARG A 157 18.766 10.258 -23.497 1.00 0.01 N ATOM 0 H ARG A 157 15.310 9.805 -17.991 1.00 0.01 H new ATOM 0 HA ARG A 157 18.138 9.491 -17.120 1.00 0.01 H new ATOM 0 HB2 ARG A 157 17.396 9.977 -19.557 1.00 0.01 H new ATOM 0 HB3 ARG A 157 16.870 11.554 -19.000 1.00 0.01 H new ATOM 0 HG2 ARG A 157 19.198 11.999 -18.128 1.00 0.01 H new ATOM 0 HG3 ARG A 157 19.712 10.442 -18.746 1.00 0.01 H new ATOM 0 HD2 ARG A 157 18.523 12.691 -20.452 1.00 0.00 H new ATOM 0 HD3 ARG A 157 20.231 12.312 -20.347 1.00 0.00 H new ATOM 0 HE ARG A 157 19.072 9.847 -21.072 1.00 0.01 H new ATOM 0 HH11 ARG A 157 19.001 13.156 -22.198 1.00 0.01 H new ATOM 0 HH12 ARG A 157 18.768 12.706 -23.890 1.00 0.01 H new ATOM 0 HH21 ARG A 157 18.779 9.272 -23.236 1.00 0.01 H new ATOM 0 HH22 ARG A 157 18.643 10.526 -24.474 1.00 0.01 H new ATOM 2519 N LYS A 158 16.126 11.788 -16.013 1.00 0.01 N ATOM 2520 CA LYS A 158 16.035 12.910 -15.017 1.00 0.01 C ATOM 2521 C LYS A 158 15.097 12.484 -13.872 1.00 0.01 C ATOM 2522 O LYS A 158 14.218 11.675 -14.077 1.00 0.01 O ATOM 2523 CB LYS A 158 15.455 14.147 -15.724 1.00 0.58 C ATOM 2524 CG LYS A 158 16.567 14.881 -16.478 1.00 0.97 C ATOM 2525 CD LYS A 158 15.985 16.113 -17.174 1.00 1.44 C ATOM 2526 CE LYS A 158 17.104 16.871 -17.889 1.00 2.13 C ATOM 2527 NZ LYS A 158 17.617 16.047 -19.021 1.00 2.54 N ATOM 0 H LYS A 158 15.229 11.439 -16.349 1.00 0.01 H new ATOM 0 HA LYS A 158 17.020 13.143 -14.614 1.00 0.01 H new ATOM 0 HB2 LYS A 158 14.670 13.846 -16.418 1.00 0.58 H new ATOM 0 HB3 LYS A 158 14.997 14.814 -14.993 1.00 0.58 H new ATOM 0 HG2 LYS A 158 17.354 15.179 -15.786 1.00 0.97 H new ATOM 0 HG3 LYS A 158 17.023 14.217 -17.212 1.00 0.97 H new ATOM 0 HD2 LYS A 158 15.220 15.812 -17.890 1.00 1.44 H new ATOM 0 HD3 LYS A 158 15.501 16.762 -16.444 1.00 1.44 H new ATOM 0 HE2 LYS A 158 16.732 17.826 -18.260 1.00 2.13 H new ATOM 0 HE3 LYS A 158 17.911 17.093 -17.191 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 18.157 16.651 -19.673 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 18.235 15.296 -18.652 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 16.817 15.618 -19.529 1.00 2.54 H new ATOM 2541 N PRO A 159 15.242 13.033 -12.682 1.00 0.01 N ATOM 2542 CA PRO A 159 14.324 12.664 -11.565 1.00 0.02 C ATOM 2543 C PRO A 159 12.868 12.989 -11.934 1.00 0.01 C ATOM 2544 O PRO A 159 11.962 12.246 -11.614 1.00 0.01 O ATOM 2545 CB PRO A 159 14.839 13.541 -10.402 1.00 0.41 C ATOM 2546 CG PRO A 159 15.887 14.521 -10.966 1.00 0.70 C ATOM 2547 CD PRO A 159 16.300 14.034 -12.365 1.00 0.28 C ATOM 0 HA PRO A 159 14.323 11.602 -11.321 1.00 0.02 H new ATOM 0 HB2 PRO A 159 14.015 14.088 -9.944 1.00 0.41 H new ATOM 0 HB3 PRO A 159 15.280 12.919 -9.623 1.00 0.41 H new ATOM 0 HG2 PRO A 159 15.474 15.528 -11.021 1.00 0.70 H new ATOM 0 HG3 PRO A 159 16.755 14.568 -10.309 1.00 0.70 H new ATOM 0 HD2 PRO A 159 16.319 14.848 -13.089 1.00 0.28 H new ATOM 0 HD3 PRO A 159 17.294 13.587 -12.362 1.00 0.28 H new ATOM 2555 N VAL A 160 12.632 14.084 -12.598 1.00 0.01 N ATOM 2556 CA VAL A 160 11.231 14.432 -12.973 1.00 0.02 C ATOM 2557 C VAL A 160 10.666 13.328 -13.870 1.00 0.02 C ATOM 2558 O VAL A 160 9.468 13.185 -14.007 1.00 0.02 O ATOM 2559 CB VAL A 160 11.225 15.762 -13.728 1.00 0.14 C ATOM 2560 CG1 VAL A 160 9.780 16.180 -14.013 1.00 0.86 C ATOM 2561 CG2 VAL A 160 11.905 16.833 -12.872 1.00 0.74 C ATOM 0 H VAL A 160 13.343 14.751 -12.897 1.00 0.01 H new ATOM 0 HA VAL A 160 10.618 14.524 -12.076 1.00 0.02 H new ATOM 0 HB VAL A 160 11.763 15.650 -14.669 1.00 0.14 H new ATOM 0 HG11 VAL A 160 9.775 17.128 -14.551 1.00 0.86 H new ATOM 0 HG12 VAL A 160 9.293 15.416 -14.619 1.00 0.86 H new ATOM 0 HG13 VAL A 160 9.242 16.294 -13.072 1.00 0.86 H new ATOM 0 HG21 VAL A 160 11.902 17.782 -13.407 1.00 0.74 H new ATOM 0 HG22 VAL A 160 11.364 16.945 -11.932 1.00 0.74 H new ATOM 0 HG23 VAL A 160 12.933 16.535 -12.666 1.00 0.74 H new ATOM 2571 N ASP A 161 11.507 12.544 -14.480 1.00 0.00 N ATOM 2572 CA ASP A 161 10.986 11.461 -15.356 1.00 0.01 C ATOM 2573 C ASP A 161 10.221 10.429 -14.517 1.00 0.01 C ATOM 2574 O ASP A 161 9.461 9.637 -15.038 1.00 0.01 O ATOM 2575 CB ASP A 161 12.145 10.774 -16.080 1.00 0.00 C ATOM 2576 CG ASP A 161 12.923 11.805 -16.900 1.00 0.02 C ATOM 2577 OD1 ASP A 161 12.533 12.961 -16.887 1.00 0.00 O ATOM 2578 OD2 ASP A 161 13.895 11.421 -17.528 1.00 0.00 O ATOM 0 H ASP A 161 12.523 12.604 -14.412 1.00 0.00 H new ATOM 0 HA ASP A 161 10.310 11.898 -16.091 1.00 0.01 H new ATOM 0 HB2 ASP A 161 12.806 10.296 -15.357 1.00 0.00 H new ATOM 0 HB3 ASP A 161 11.764 9.988 -16.732 1.00 0.00 H new ATOM 2583 N TRP A 162 10.395 10.448 -13.215 1.00 0.01 N ATOM 2584 CA TRP A 162 9.651 9.482 -12.341 1.00 0.01 C ATOM 2585 C TRP A 162 8.425 10.186 -11.759 1.00 0.01 C ATOM 2586 O TRP A 162 7.759 9.665 -10.887 1.00 0.01 O ATOM 2587 CB TRP A 162 10.524 9.015 -11.170 1.00 0.01 C ATOM 2588 CG TRP A 162 11.793 8.399 -11.671 1.00 0.02 C ATOM 2589 CD1 TRP A 162 11.886 7.508 -12.685 1.00 0.01 C ATOM 2590 CD2 TRP A 162 13.151 8.605 -11.184 1.00 0.01 C ATOM 2591 NE1 TRP A 162 13.213 7.157 -12.851 1.00 0.01 N ATOM 2592 CE2 TRP A 162 14.032 7.809 -11.952 1.00 0.01 C ATOM 2593 CE3 TRP A 162 13.698 9.402 -10.162 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 15.407 7.801 -11.715 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 15.081 9.398 -9.920 1.00 0.01 C ATOM 2596 CH2 TRP A 162 15.934 8.598 -10.695 1.00 0.01 C ATOM 0 H TRP A 162 11.017 11.088 -12.721 1.00 0.01 H new ATOM 0 HA TRP A 162 9.367 8.621 -12.946 1.00 0.01 H new ATOM 0 HB2 TRP A 162 10.755 9.860 -10.522 1.00 0.01 H new ATOM 0 HB3 TRP A 162 9.976 8.291 -10.567 1.00 0.01 H new ATOM 0 HD1 TRP A 162 11.059 7.132 -13.269 1.00 0.01 H new ATOM 0 HE1 TRP A 162 13.546 6.496 -13.553 1.00 0.01 H new ATOM 0 HE3 TRP A 162 13.050 10.021 -9.560 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 16.059 7.184 -12.315 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 15.490 10.014 -9.133 1.00 0.01 H new ATOM 0 HH2 TRP A 162 16.997 8.598 -10.504 1.00 0.01 H new ATOM 2607 N GLY A 163 8.099 11.349 -12.247 1.00 0.02 N ATOM 2608 CA GLY A 163 6.893 12.057 -11.733 1.00 0.01 C ATOM 2609 C GLY A 163 7.195 12.772 -10.412 1.00 0.01 C ATOM 2610 O GLY A 163 6.299 13.212 -9.719 1.00 0.01 O ATOM 0 H GLY A 163 8.614 11.840 -12.978 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.550 12.781 -12.472 1.00 0.01 H new ATOM 0 HA3 GLY A 163 6.083 11.343 -11.587 1.00 0.01 H new ATOM 2614 N ALA A 164 8.447 12.871 -10.043 1.00 0.01 N ATOM 2615 CA ALA A 164 8.809 13.533 -8.749 1.00 0.02 C ATOM 2616 C ALA A 164 9.281 14.967 -9.003 1.00 0.01 C ATOM 2617 O ALA A 164 9.981 15.249 -9.953 1.00 0.02 O ATOM 2618 CB ALA A 164 9.962 12.759 -8.107 1.00 0.01 C ATOM 0 H ALA A 164 9.238 12.521 -10.583 1.00 0.01 H new ATOM 0 HA ALA A 164 7.934 13.545 -8.098 1.00 0.02 H new ATOM 0 HB1 ALA A 164 10.236 13.231 -7.163 1.00 0.01 H new ATOM 0 HB2 ALA A 164 9.651 11.731 -7.922 1.00 0.01 H new ATOM 0 HB3 ALA A 164 10.821 12.764 -8.778 1.00 0.01 H new ATOM 2624 N ALA A 165 8.896 15.872 -8.144 1.00 0.02 N ATOM 2625 CA ALA A 165 9.306 17.297 -8.304 1.00 0.01 C ATOM 2626 C ALA A 165 10.685 17.527 -7.674 1.00 0.02 C ATOM 2627 O ALA A 165 11.275 18.577 -7.834 1.00 0.01 O ATOM 2628 CB ALA A 165 8.287 18.207 -7.614 1.00 0.59 C ATOM 0 H ALA A 165 8.310 15.683 -7.331 1.00 0.02 H new ATOM 0 HA ALA A 165 9.351 17.529 -9.368 1.00 0.01 H new ATOM 0 HB1 ALA A 165 8.589 19.247 -7.733 1.00 0.59 H new ATOM 0 HB2 ALA A 165 7.305 18.061 -8.064 1.00 0.59 H new ATOM 0 HB3 ALA A 165 8.240 17.962 -6.553 1.00 0.59 H new ATOM 2634 N SER A 166 11.214 16.558 -6.965 1.00 0.01 N ATOM 2635 CA SER A 166 12.564 16.729 -6.334 1.00 0.01 C ATOM 2636 C SER A 166 13.328 15.389 -6.390 1.00 0.02 C ATOM 2637 O SER A 166 12.717 14.340 -6.353 1.00 0.01 O ATOM 2638 CB SER A 166 12.386 17.148 -4.873 1.00 0.72 C ATOM 2639 OG SER A 166 13.555 16.805 -4.141 1.00 0.87 O ATOM 0 H SER A 166 10.770 15.656 -6.795 1.00 0.01 H new ATOM 0 HA SER A 166 13.126 17.493 -6.871 1.00 0.01 H new ATOM 0 HB2 SER A 166 12.205 18.221 -4.810 1.00 0.72 H new ATOM 0 HB3 SER A 166 11.515 16.652 -4.444 1.00 0.72 H new ATOM 0 HG SER A 166 13.445 17.073 -3.205 1.00 0.87 H new ATOM 2645 N PRO A 167 14.651 15.397 -6.460 1.00 0.02 N ATOM 2646 CA PRO A 167 15.423 14.117 -6.493 1.00 0.01 C ATOM 2647 C PRO A 167 15.496 13.449 -5.110 1.00 0.01 C ATOM 2648 O PRO A 167 16.354 12.620 -4.857 1.00 0.01 O ATOM 2649 CB PRO A 167 16.814 14.602 -6.928 1.00 0.38 C ATOM 2650 CG PRO A 167 16.906 16.092 -6.568 1.00 0.35 C ATOM 2651 CD PRO A 167 15.474 16.646 -6.520 1.00 0.22 C ATOM 0 HA PRO A 167 14.978 13.365 -7.144 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.595 14.035 -6.422 1.00 0.38 H new ATOM 0 HB3 PRO A 167 16.956 14.455 -7.999 1.00 0.38 H new ATOM 0 HG2 PRO A 167 17.400 16.224 -5.606 1.00 0.35 H new ATOM 0 HG3 PRO A 167 17.500 16.629 -7.308 1.00 0.35 H new ATOM 0 HD2 PRO A 167 15.313 17.282 -5.649 1.00 0.22 H new ATOM 0 HD3 PRO A 167 15.240 17.245 -7.400 1.00 0.22 H new ATOM 2659 N ALA A 168 14.638 13.827 -4.198 1.00 0.01 N ATOM 2660 CA ALA A 168 14.711 13.230 -2.832 1.00 0.01 C ATOM 2661 C ALA A 168 13.995 11.880 -2.778 1.00 0.01 C ATOM 2662 O ALA A 168 12.819 11.761 -3.052 1.00 0.02 O ATOM 2663 CB ALA A 168 14.052 14.179 -1.829 1.00 0.18 C ATOM 0 H ALA A 168 13.898 14.515 -4.337 1.00 0.01 H new ATOM 0 HA ALA A 168 15.761 13.078 -2.583 1.00 0.01 H new ATOM 0 HB1 ALA A 168 14.104 13.746 -0.830 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.574 15.136 -1.837 1.00 0.18 H new ATOM 0 HB3 ALA A 168 13.009 14.332 -2.104 1.00 0.18 H new ATOM 2669 N ILE A 169 14.727 10.874 -2.383 1.00 0.01 N ATOM 2670 CA ILE A 169 14.170 9.493 -2.248 1.00 0.01 C ATOM 2671 C ILE A 169 14.914 8.829 -1.083 1.00 0.01 C ATOM 2672 O ILE A 169 16.128 8.854 -1.035 1.00 0.01 O ATOM 2673 CB ILE A 169 14.408 8.682 -3.549 1.00 1.81 C ATOM 2674 CG1 ILE A 169 14.254 9.566 -4.804 1.00 2.75 C ATOM 2675 CG2 ILE A 169 13.405 7.532 -3.636 1.00 2.24 C ATOM 2676 CD1 ILE A 169 12.783 9.970 -5.026 1.00 3.99 C ATOM 0 H ILE A 169 15.715 10.952 -2.141 1.00 0.01 H new ATOM 0 HA ILE A 169 13.095 9.527 -2.068 1.00 0.01 H new ATOM 0 HB ILE A 169 15.427 8.297 -3.513 1.00 1.81 H new ATOM 0 HG12 ILE A 169 14.867 10.461 -4.699 1.00 2.75 H new ATOM 0 HG13 ILE A 169 14.622 9.028 -5.678 1.00 2.75 H new ATOM 0 HG21 ILE A 169 13.578 6.967 -4.552 1.00 2.24 H new ATOM 0 HG22 ILE A 169 13.529 6.875 -2.775 1.00 2.24 H new ATOM 0 HG23 ILE A 169 12.391 7.933 -3.643 1.00 2.24 H new ATOM 0 HD11 ILE A 169 12.707 10.592 -5.918 1.00 3.99 H new ATOM 0 HD12 ILE A 169 12.175 9.074 -5.156 1.00 3.99 H new ATOM 0 HD13 ILE A 169 12.425 10.529 -4.162 1.00 3.99 H new ATOM 2688 N GLN A 170 14.206 8.271 -0.122 1.00 0.01 N ATOM 2689 CA GLN A 170 14.885 7.649 1.066 1.00 0.01 C ATOM 2690 C GLN A 170 14.752 6.119 1.104 1.00 0.02 C ATOM 2691 O GLN A 170 15.513 5.474 1.795 1.00 0.01 O ATOM 2692 CB GLN A 170 14.282 8.227 2.346 1.00 2.62 C ATOM 2693 CG GLN A 170 14.583 9.724 2.421 1.00 3.39 C ATOM 2694 CD GLN A 170 16.063 9.929 2.745 1.00 4.36 C ATOM 2695 OE1 GLN A 170 16.745 9.005 3.143 1.00 4.83 O ATOM 2696 NE2 GLN A 170 16.592 11.112 2.593 1.00 5.17 N ATOM 0 H GLN A 170 13.187 8.220 -0.110 1.00 0.01 H new ATOM 0 HA GLN A 170 15.947 7.881 0.984 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.205 8.061 2.360 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.695 7.718 3.217 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.337 10.203 1.474 1.00 3.39 H new ATOM 0 HG3 GLN A 170 13.964 10.193 3.186 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.020 11.887 2.259 1.00 5.17 H new ATOM 0 HE22 GLN A 170 17.578 11.261 2.808 1.00 5.17 H new ATOM 2705 N SER A 171 13.833 5.495 0.405 1.00 0.01 N ATOM 2706 CA SER A 171 13.769 3.995 0.495 1.00 0.01 C ATOM 2707 C SER A 171 13.062 3.418 -0.736 1.00 0.01 C ATOM 2708 O SER A 171 12.344 4.101 -1.436 1.00 0.01 O ATOM 2709 CB SER A 171 13.001 3.591 1.755 1.00 0.01 C ATOM 2710 OG SER A 171 11.615 3.516 1.454 1.00 0.02 O ATOM 0 H SER A 171 13.145 5.937 -0.205 1.00 0.01 H new ATOM 0 HA SER A 171 14.785 3.602 0.539 1.00 0.01 H new ATOM 0 HB2 SER A 171 13.359 2.628 2.120 1.00 0.01 H new ATOM 0 HB3 SER A 171 13.174 4.317 2.549 1.00 0.01 H new ATOM 0 HG SER A 171 11.102 3.956 2.163 1.00 0.02 H new ATOM 2716 N PHE A 172 13.248 2.144 -0.993 1.00 0.01 N ATOM 2717 CA PHE A 172 12.568 1.506 -2.164 1.00 0.01 C ATOM 2718 C PHE A 172 12.317 0.022 -1.880 1.00 0.01 C ATOM 2719 O PHE A 172 13.023 -0.606 -1.109 1.00 0.01 O ATOM 2720 CB PHE A 172 13.423 1.663 -3.431 1.00 1.06 C ATOM 2721 CG PHE A 172 14.681 0.824 -3.346 1.00 0.75 C ATOM 2722 CD1 PHE A 172 14.625 -0.560 -3.568 1.00 0.75 C ATOM 2723 CD2 PHE A 172 15.911 1.434 -3.063 1.00 1.29 C ATOM 2724 CE1 PHE A 172 15.795 -1.327 -3.501 1.00 1.16 C ATOM 2725 CE2 PHE A 172 17.078 0.666 -3.000 1.00 2.02 C ATOM 2726 CZ PHE A 172 17.020 -0.714 -3.217 1.00 1.92 C ATOM 0 H PHE A 172 13.840 1.521 -0.444 1.00 0.01 H new ATOM 0 HA PHE A 172 11.612 2.003 -2.326 1.00 0.01 H new ATOM 0 HB2 PHE A 172 12.842 1.366 -4.305 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.689 2.711 -3.566 1.00 1.06 H new ATOM 0 HD1 PHE A 172 13.680 -1.034 -3.790 1.00 0.75 H new ATOM 0 HD2 PHE A 172 15.957 2.500 -2.893 1.00 1.29 H new ATOM 0 HE1 PHE A 172 15.751 -2.393 -3.669 1.00 1.16 H new ATOM 0 HE2 PHE A 172 18.024 1.139 -2.784 1.00 2.02 H new ATOM 0 HZ PHE A 172 17.921 -1.307 -3.165 1.00 1.92 H new ATOM 2736 N ARG A 173 11.292 -0.538 -2.484 1.00 0.01 N ATOM 2737 CA ARG A 173 10.955 -1.977 -2.242 1.00 0.01 C ATOM 2738 C ARG A 173 10.417 -2.609 -3.535 1.00 0.01 C ATOM 2739 O ARG A 173 9.787 -1.959 -4.352 1.00 0.01 O ATOM 2740 CB ARG A 173 9.867 -2.059 -1.144 1.00 0.01 C ATOM 2741 CG ARG A 173 10.507 -2.168 0.261 1.00 0.01 C ATOM 2742 CD ARG A 173 10.674 -3.641 0.653 1.00 0.01 C ATOM 2743 NE ARG A 173 9.360 -4.188 1.092 1.00 0.01 N ATOM 2744 CZ ARG A 173 9.191 -5.478 1.191 1.00 0.01 C ATOM 2745 NH1 ARG A 173 10.172 -6.289 0.907 1.00 0.01 N ATOM 2746 NH2 ARG A 173 8.039 -5.955 1.574 1.00 0.01 N ATOM 0 H ARG A 173 10.673 -0.056 -3.136 1.00 0.01 H new ATOM 0 HA ARG A 173 11.849 -2.513 -1.925 1.00 0.01 H new ATOM 0 HB2 ARG A 173 9.231 -1.175 -1.190 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.227 -2.923 -1.324 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.477 -1.670 0.267 1.00 0.01 H new ATOM 0 HG3 ARG A 173 9.882 -1.657 0.994 1.00 0.01 H new ATOM 0 HD2 ARG A 173 11.054 -4.213 -0.193 1.00 0.01 H new ATOM 0 HD3 ARG A 173 11.406 -3.735 1.455 1.00 0.01 H new ATOM 0 HE ARG A 173 8.593 -3.554 1.315 1.00 0.01 H new ATOM 0 HH11 ARG A 173 11.072 -5.915 0.607 1.00 0.01 H new ATOM 0 HH12 ARG A 173 10.039 -7.297 0.985 1.00 0.01 H new ATOM 0 HH21 ARG A 173 7.272 -5.320 1.795 1.00 0.01 H new ATOM 0 HH22 ARG A 173 7.905 -6.963 1.652 1.00 0.01 H new ATOM 2760 N ARG A 174 10.654 -3.883 -3.707 1.00 0.01 N ATOM 2761 CA ARG A 174 10.158 -4.594 -4.922 1.00 0.01 C ATOM 2762 C ARG A 174 8.739 -5.114 -4.667 1.00 0.01 C ATOM 2763 O ARG A 174 8.412 -5.541 -3.577 1.00 0.01 O ATOM 2764 CB ARG A 174 11.074 -5.781 -5.229 1.00 0.01 C ATOM 2765 CG ARG A 174 10.747 -6.332 -6.619 1.00 0.01 C ATOM 2766 CD ARG A 174 11.404 -7.702 -6.794 1.00 0.01 C ATOM 2767 NE ARG A 174 12.770 -7.679 -6.201 1.00 0.01 N ATOM 2768 CZ ARG A 174 13.398 -8.798 -5.970 1.00 0.01 C ATOM 2769 NH1 ARG A 174 12.828 -9.938 -6.258 1.00 0.01 N ATOM 2770 NH2 ARG A 174 14.594 -8.780 -5.449 1.00 0.01 N ATOM 0 H ARG A 174 11.175 -4.466 -3.052 1.00 0.01 H new ATOM 0 HA ARG A 174 10.153 -3.903 -5.765 1.00 0.01 H new ATOM 0 HB2 ARG A 174 12.118 -5.469 -5.186 1.00 0.01 H new ATOM 0 HB3 ARG A 174 10.943 -6.559 -4.477 1.00 0.01 H new ATOM 0 HG2 ARG A 174 9.667 -6.416 -6.743 1.00 0.01 H new ATOM 0 HG3 ARG A 174 11.104 -5.645 -7.387 1.00 0.01 H new ATOM 0 HD2 ARG A 174 10.800 -8.471 -6.312 1.00 0.01 H new ATOM 0 HD3 ARG A 174 11.460 -7.958 -7.852 1.00 0.01 H new ATOM 0 HE ARG A 174 13.214 -6.789 -5.976 1.00 0.01 H new ATOM 0 HH11 ARG A 174 11.892 -9.952 -6.663 1.00 0.01 H new ATOM 0 HH12 ARG A 174 13.319 -10.814 -6.077 1.00 0.01 H new ATOM 0 HH21 ARG A 174 15.038 -7.890 -5.222 1.00 0.01 H new ATOM 0 HH22 ARG A 174 15.085 -9.656 -5.268 1.00 0.01 H new ATOM 2784 N ILE A 175 7.897 -5.097 -5.671 1.00 0.01 N ATOM 2785 CA ILE A 175 6.505 -5.613 -5.485 1.00 0.01 C ATOM 2786 C ILE A 175 6.455 -7.083 -5.915 1.00 0.00 C ATOM 2787 O ILE A 175 6.889 -7.431 -6.997 1.00 0.01 O ATOM 2788 CB ILE A 175 5.508 -4.810 -6.337 1.00 1.52 C ATOM 2789 CG1 ILE A 175 5.892 -3.327 -6.330 1.00 2.51 C ATOM 2790 CG2 ILE A 175 4.098 -4.968 -5.762 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.813 -2.508 -7.059 1.00 3.04 C ATOM 0 H ILE A 175 8.111 -4.750 -6.606 1.00 0.01 H new ATOM 0 HA ILE A 175 6.232 -5.512 -4.435 1.00 0.01 H new ATOM 0 HB ILE A 175 5.532 -5.185 -7.360 1.00 1.52 H new ATOM 0 HG12 ILE A 175 5.999 -2.974 -5.304 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.857 -3.189 -6.817 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.392 -4.398 -6.367 1.00 1.75 H new ATOM 0 HG22 ILE A 175 3.817 -6.021 -5.772 1.00 1.75 H new ATOM 0 HG23 ILE A 175 4.079 -4.597 -4.737 1.00 1.75 H new ATOM 0 HD11 ILE A 175 5.090 -1.454 -7.052 1.00 3.04 H new ATOM 0 HD12 ILE A 175 4.728 -2.854 -8.089 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.856 -2.635 -6.553 1.00 3.04 H new ATOM 2803 N VAL A 176 5.935 -7.953 -5.083 1.00 0.01 N ATOM 2804 CA VAL A 176 5.863 -9.404 -5.446 1.00 0.00 C ATOM 2805 C VAL A 176 4.491 -9.962 -5.060 1.00 0.01 C ATOM 2806 O VAL A 176 3.893 -9.549 -4.086 1.00 0.00 O ATOM 2807 CB VAL A 176 6.943 -10.177 -4.685 1.00 1.38 C ATOM 2808 CG1 VAL A 176 8.318 -9.597 -5.017 1.00 1.88 C ATOM 2809 CG2 VAL A 176 6.688 -10.052 -3.182 1.00 1.89 C ATOM 0 H VAL A 176 5.556 -7.720 -4.165 1.00 0.01 H new ATOM 0 HA VAL A 176 6.018 -9.512 -6.520 1.00 0.00 H new ATOM 0 HB VAL A 176 6.914 -11.227 -4.977 1.00 1.38 H new ATOM 0 HG11 VAL A 176 9.086 -10.148 -4.475 1.00 1.88 H new ATOM 0 HG12 VAL A 176 8.499 -9.681 -6.088 1.00 1.88 H new ATOM 0 HG13 VAL A 176 8.350 -8.547 -4.725 1.00 1.88 H new ATOM 0 HG21 VAL A 176 7.455 -10.601 -2.636 1.00 1.89 H new ATOM 0 HG22 VAL A 176 6.719 -9.001 -2.894 1.00 1.89 H new ATOM 0 HG23 VAL A 176 5.708 -10.464 -2.944 1.00 1.89 H new ATOM 2819 N GLU A 177 3.989 -10.897 -5.818 1.00 0.01 N ATOM 2820 CA GLU A 177 2.656 -11.486 -5.503 1.00 0.01 C ATOM 2821 C GLU A 177 2.668 -12.039 -4.077 1.00 0.01 C ATOM 2822 CB GLU A 177 2.352 -12.618 -6.488 1.00 2.15 C ATOM 2823 CG GLU A 177 3.559 -13.555 -6.578 1.00 3.19 C ATOM 2824 CD GLU A 177 3.238 -14.705 -7.536 1.00 4.20 C ATOM 2825 OE1 GLU A 177 2.606 -14.447 -8.547 1.00 4.77 O ATOM 2826 OE2 GLU A 177 3.629 -15.822 -7.241 1.00 4.89 O ATOM 0 H GLU A 177 4.446 -11.280 -6.645 1.00 0.01 H new ATOM 0 HA GLU A 177 1.889 -10.716 -5.588 1.00 0.01 H new ATOM 0 HB2 GLU A 177 1.472 -13.172 -6.161 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.123 -12.207 -7.471 1.00 2.15 H new ATOM 0 HG2 GLU A 177 4.433 -13.007 -6.929 1.00 3.19 H new ATOM 0 HG3 GLU A 177 3.804 -13.947 -5.591 1.00 3.19 H new TER 2833 GLU A 177