USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 996 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: B 114 THR OG1 : rot 82:sc= 1.62 USER MOD Set 1.2: B 117 LYS NZ :NH3+ 172:sc= 1.06 (180deg=-0.25) USER MOD Set 2.1: B 108 TYR OH : rot 180:sc= 1.11 USER MOD Set 2.2: B 112 GLN : amide:sc= -0.0772 K(o=1,f=-0.5) USER MOD Set 3.1: A 123 LYS NZ :NH3+ 152:sc= 2.17 (180deg=0.219) USER MOD Set 3.2: B 82 SER OG : rot -142:sc= 2.22 USER MOD Set 3.3: B 83 ASN : amide:sc= -0.737 K(o=3.6,f=1.5) USER MOD Set 4.1: A 125 TYR OH : rot 15:sc= 0.682 USER MOD Set 4.2: B 81 GLN : amide:sc= 1.76 K(o=2.4,f=-0.15!) USER MOD Set 5.1: A 114 THR OG1 : rot 80:sc= 1.91 USER MOD Set 5.2: A 117 LYS NZ :NH3+ 174:sc= 2.75 (180deg=1.63) USER MOD Set 6.1: A 103 GLN : amide:sc= 0.749 K(o=0.48,f=-0.27) USER MOD Set 6.2: A 107 ASN : amide:sc= -0.266 K(o=0.48,f=-0.8) USER MOD Set 7.1: A 82 SER OG : rot -108:sc= 2.14 USER MOD Set 7.2: B 123 LYS NZ :NH3+ 168:sc= 0.552 (180deg=-0.658) USER MOD Set 8.1: A 81 GLN : amide:sc= 2.04 K(o=2.7,f=-0.04) USER MOD Set 8.2: B 125 TYR OH : rot 21:sc= 0.696 USER MOD Single : A 69 SER OG : rot 180:sc= 0.578 USER MOD Single : A 71 CYS SG : rot 23:sc= 1.37 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.39) USER MOD Single : A 88 SER OG : rot 180:sc= 0.103 USER MOD Single : A 96 ASN : amide:sc= 0.952 K(o=0.95,f=-0.68) USER MOD Single : A 97 GLN : amide:sc= 0.812 K(o=0.81,f=-1.4) USER MOD Single : A 100 GLN : amide:sc= 0.0436 K(o=0.044,f=-0.56) USER MOD Single : A 101 SER OG : rot 12:sc= 1.26 USER MOD Single : A 108 TYR OH : rot 27:sc= 1.26 USER MOD Single : A 111 THR OG1 : rot 76:sc= 0.975 USER MOD Single : A 112 GLN : amide:sc= 1 K(o=1,f=-1.9) USER MOD Single : A 115 TYR OH : rot -20:sc= 1.04 USER MOD Single : A 120 ASN : amide:sc= -0.536 K(o=-0.54,f=-1.3) USER MOD Single : A 121 GLN : amide:sc= -0.447 K(o=-0.45,f=-1.2) USER MOD Single : A 122 LYS NZ :NH3+ -161:sc= -0.275 (180deg=-1.5!) USER MOD Single : B 69 SER OG : rot 180:sc= 0.328 USER MOD Single : B 71 CYS SG : rot -102:sc= 1.25 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 SER OG : rot 180:sc= 0.0968 USER MOD Single : B 96 ASN : amide:sc= 1.34 K(o=1.3,f=-0.045) USER MOD Single : B 97 GLN : amide:sc= 0.986 K(o=0.99,f=-0.66) USER MOD Single : B 100 GLN : amide:sc= 0.267 X(o=0.27,f=-0.13) USER MOD Single : B 101 SER OG : rot 27:sc= 1.31 USER MOD Single : B 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 107 ASN : amide:sc= -0.629 X(o=-0.63,f=-1) USER MOD Single : B 111 THR OG1 : rot 75:sc= 0.958 USER MOD Single : B 115 TYR OH : rot -21:sc= 2.15 USER MOD Single : B 120 ASN : amide:sc= 0.318 K(o=0.32,f=-1.4) USER MOD Single : B 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 122 LYS NZ :NH3+ -121:sc= 0.29 (180deg=-0.154!) USER MOD ----------------------------------------------------------------- ATOM 114 N LEU A 68 -7.967 8.095 -7.526 1.00 0.00 N ATOM 115 CA LEU A 68 -8.997 7.867 -6.513 1.00 0.00 C ATOM 116 C LEU A 68 -10.410 7.996 -7.110 1.00 0.00 C ATOM 117 O LEU A 68 -11.238 8.806 -6.696 1.00 0.00 O ATOM 118 CB LEU A 68 -8.733 8.690 -5.237 1.00 0.00 C ATOM 119 CG LEU A 68 -7.557 8.138 -4.404 1.00 0.00 C ATOM 120 CD1 LEU A 68 -7.202 9.156 -3.314 1.00 0.00 C ATOM 121 CD2 LEU A 68 -7.870 6.795 -3.732 1.00 0.00 C ATOM 0 HA LEU A 68 -8.940 6.832 -6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.524 9.723 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.634 8.700 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.728 7.973 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.372 8.777 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.915 10.100 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.067 9.316 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.002 6.462 -3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.721 6.913 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.109 6.054 -4.494 1.00 0.00 H new ATOM 133 N SER A 69 -10.687 7.138 -8.092 1.00 0.00 N ATOM 134 CA SER A 69 -12.022 6.868 -8.608 1.00 0.00 C ATOM 135 C SER A 69 -12.842 5.999 -7.632 1.00 0.00 C ATOM 136 O SER A 69 -12.316 5.444 -6.671 1.00 0.00 O ATOM 137 CB SER A 69 -11.893 6.184 -9.978 1.00 0.00 C ATOM 138 OG SER A 69 -10.929 6.837 -10.792 1.00 0.00 O ATOM 0 H SER A 69 -9.962 6.596 -8.563 1.00 0.00 H new ATOM 0 HA SER A 69 -12.559 7.810 -8.717 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.609 5.141 -9.841 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.860 6.188 -10.481 1.00 0.00 H new ATOM 0 HG SER A 69 -10.867 6.379 -11.656 1.00 0.00 H new ATOM 144 N ALA A 70 -14.150 5.880 -7.884 1.00 0.00 N ATOM 145 CA ALA A 70 -15.109 5.210 -6.999 1.00 0.00 C ATOM 146 C ALA A 70 -14.617 3.883 -6.386 1.00 0.00 C ATOM 147 O ALA A 70 -14.647 3.709 -5.170 1.00 0.00 O ATOM 148 CB ALA A 70 -16.421 5.007 -7.762 1.00 0.00 C ATOM 0 H ALA A 70 -14.581 6.256 -8.729 1.00 0.00 H new ATOM 0 HA ALA A 70 -15.251 5.865 -6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -17.144 4.509 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -16.816 5.975 -8.071 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -16.238 4.392 -8.643 1.00 0.00 H new ATOM 154 N CYS A 71 -14.182 2.934 -7.215 1.00 0.00 N ATOM 155 CA CYS A 71 -13.730 1.624 -6.752 1.00 0.00 C ATOM 156 C CYS A 71 -12.537 1.687 -5.785 1.00 0.00 C ATOM 157 O CYS A 71 -12.629 1.203 -4.656 1.00 0.00 O ATOM 158 CB CYS A 71 -13.478 0.670 -7.931 1.00 0.00 C ATOM 159 SG CYS A 71 -12.584 1.409 -9.327 1.00 0.00 S ATOM 0 H CYS A 71 -14.133 3.053 -8.227 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.549 1.212 -6.162 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.914 -0.190 -7.570 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -14.437 0.295 -8.289 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.902 2.435 -8.912 1.00 0.00 H new ATOM 165 N GLU A 72 -11.412 2.282 -6.176 1.00 0.00 N ATOM 166 CA GLU A 72 -10.277 2.399 -5.273 1.00 0.00 C ATOM 167 C GLU A 72 -10.601 3.259 -4.032 1.00 0.00 C ATOM 168 O GLU A 72 -10.135 2.952 -2.943 1.00 0.00 O ATOM 169 CB GLU A 72 -9.012 2.807 -6.047 1.00 0.00 C ATOM 170 CG GLU A 72 -9.107 4.184 -6.726 1.00 0.00 C ATOM 171 CD GLU A 72 -9.596 4.175 -8.163 1.00 0.00 C ATOM 172 OE1 GLU A 72 -10.459 3.340 -8.503 1.00 0.00 O ATOM 173 OE2 GLU A 72 -9.117 5.044 -8.923 1.00 0.00 O ATOM 0 H GLU A 72 -11.266 2.685 -7.101 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.056 1.419 -4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.165 2.810 -5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.805 2.053 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.775 4.814 -6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.122 4.651 -6.699 1.00 0.00 H new ATOM 180 N VAL A 73 -11.461 4.278 -4.148 1.00 0.00 N ATOM 181 CA VAL A 73 -11.954 5.043 -2.995 1.00 0.00 C ATOM 182 C VAL A 73 -12.730 4.154 -2.012 1.00 0.00 C ATOM 183 O VAL A 73 -12.475 4.165 -0.809 1.00 0.00 O ATOM 184 CB VAL A 73 -12.805 6.233 -3.472 1.00 0.00 C ATOM 185 CG1 VAL A 73 -13.587 6.894 -2.332 1.00 0.00 C ATOM 186 CG2 VAL A 73 -11.888 7.299 -4.067 1.00 0.00 C ATOM 0 H VAL A 73 -11.835 4.596 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.092 5.432 -2.453 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.513 5.841 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.170 7.727 -2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -14.258 6.164 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -12.891 7.262 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.486 8.145 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.181 7.636 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.341 6.879 -4.911 1.00 0.00 H new ATOM 196 N ALA A 74 -13.666 3.356 -2.526 1.00 0.00 N ATOM 197 CA ALA A 74 -14.439 2.417 -1.712 1.00 0.00 C ATOM 198 C ALA A 74 -13.518 1.479 -0.917 1.00 0.00 C ATOM 199 O ALA A 74 -13.776 1.125 0.233 1.00 0.00 O ATOM 200 CB ALA A 74 -15.385 1.632 -2.627 1.00 0.00 C ATOM 0 H ALA A 74 -13.910 3.342 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 74 -15.027 2.971 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.967 0.929 -2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -16.059 2.323 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.803 1.085 -3.369 1.00 0.00 H new ATOM 206 N VAL A 75 -12.415 1.073 -1.543 1.00 0.00 N ATOM 207 CA VAL A 75 -11.454 0.163 -0.934 1.00 0.00 C ATOM 208 C VAL A 75 -10.488 0.874 0.044 1.00 0.00 C ATOM 209 O VAL A 75 -10.187 0.344 1.114 1.00 0.00 O ATOM 210 CB VAL A 75 -10.830 -0.716 -2.025 1.00 0.00 C ATOM 211 CG1 VAL A 75 -9.825 -1.695 -1.427 1.00 0.00 C ATOM 212 CG2 VAL A 75 -11.951 -1.540 -2.675 1.00 0.00 C ATOM 0 H VAL A 75 -12.165 1.367 -2.487 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.958 -0.530 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.323 -0.074 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.397 -2.307 -2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.031 -1.141 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.329 -2.338 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.531 -2.174 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.429 -2.163 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.690 -0.868 -3.112 1.00 0.00 H new ATOM 222 N LEU A 76 -10.056 2.105 -0.256 1.00 0.00 N ATOM 223 CA LEU A 76 -9.475 3.035 0.719 1.00 0.00 C ATOM 224 C LEU A 76 -10.269 3.125 2.032 1.00 0.00 C ATOM 225 O LEU A 76 -9.704 3.076 3.124 1.00 0.00 O ATOM 226 CB LEU A 76 -9.337 4.408 0.065 1.00 0.00 C ATOM 227 CG LEU A 76 -7.928 4.687 -0.466 1.00 0.00 C ATOM 228 CD1 LEU A 76 -7.038 5.229 0.659 1.00 0.00 C ATOM 229 CD2 LEU A 76 -7.226 3.530 -1.192 1.00 0.00 C ATOM 0 H LEU A 76 -10.101 2.489 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.496 2.649 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.049 4.485 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.603 5.177 0.790 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.079 5.434 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.038 5.424 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.464 6.155 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.978 4.494 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.238 3.852 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.125 2.683 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.816 3.233 -2.059 1.00 0.00 H new ATOM 241 N ASP A 77 -11.587 3.241 1.932 1.00 0.00 N ATOM 242 CA ASP A 77 -12.428 3.358 3.114 1.00 0.00 C ATOM 243 C ASP A 77 -12.464 2.020 3.873 1.00 0.00 C ATOM 244 O ASP A 77 -12.207 1.961 5.072 1.00 0.00 O ATOM 245 CB ASP A 77 -13.809 3.872 2.689 1.00 0.00 C ATOM 246 CG ASP A 77 -14.710 4.101 3.887 1.00 0.00 C ATOM 247 OD1 ASP A 77 -14.216 4.675 4.876 1.00 0.00 O ATOM 248 OD2 ASP A 77 -15.871 3.650 3.820 1.00 0.00 O ATOM 0 H ASP A 77 -12.094 3.256 1.047 1.00 0.00 H new ATOM 0 HA ASP A 77 -12.020 4.084 3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.697 4.803 2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -14.274 3.153 2.015 1.00 0.00 H new ATOM 253 N LEU A 78 -12.649 0.897 3.171 1.00 0.00 N ATOM 254 CA LEU A 78 -12.474 -0.430 3.746 1.00 0.00 C ATOM 255 C LEU A 78 -11.157 -0.567 4.536 1.00 0.00 C ATOM 256 O LEU A 78 -11.147 -1.187 5.602 1.00 0.00 O ATOM 257 CB LEU A 78 -12.631 -1.481 2.634 1.00 0.00 C ATOM 258 CG LEU A 78 -14.100 -1.687 2.234 1.00 0.00 C ATOM 259 CD1 LEU A 78 -14.196 -2.440 0.904 1.00 0.00 C ATOM 260 CD2 LEU A 78 -14.869 -2.480 3.299 1.00 0.00 C ATOM 0 H LEU A 78 -12.924 0.888 2.189 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.251 -0.601 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.058 -1.171 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.211 -2.429 2.970 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.544 -0.696 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.244 -2.576 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.695 -1.866 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.717 -3.414 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.904 -2.606 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.407 -3.459 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.843 -1.939 4.245 1.00 0.00 H new ATOM 272 N TYR A 79 -10.049 0.029 4.083 1.00 0.00 N ATOM 273 CA TYR A 79 -8.858 0.138 4.918 1.00 0.00 C ATOM 274 C TYR A 79 -9.094 0.897 6.232 1.00 0.00 C ATOM 275 O TYR A 79 -8.872 0.307 7.291 1.00 0.00 O ATOM 276 CB TYR A 79 -7.672 0.696 4.128 1.00 0.00 C ATOM 277 CG TYR A 79 -7.151 -0.242 3.069 1.00 0.00 C ATOM 278 CD1 TYR A 79 -6.754 -1.548 3.407 1.00 0.00 C ATOM 279 CD2 TYR A 79 -7.151 0.150 1.727 1.00 0.00 C ATOM 280 CE1 TYR A 79 -6.590 -2.503 2.392 1.00 0.00 C ATOM 281 CE2 TYR A 79 -7.037 -0.817 0.724 1.00 0.00 C ATOM 282 CZ TYR A 79 -6.935 -2.163 1.080 1.00 0.00 C ATOM 283 OH TYR A 79 -7.055 -3.146 0.152 1.00 0.00 O ATOM 0 H TYR A 79 -9.956 0.438 3.153 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.605 -0.878 5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.970 1.632 3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -6.864 0.931 4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.577 -1.814 4.439 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.239 1.194 1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.203 -3.485 2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.028 -0.526 -0.316 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.300 -2.753 -0.711 1.00 0.00 H new ATOM 293 N GLU A 80 -9.518 2.162 6.211 1.00 0.00 N ATOM 294 CA GLU A 80 -9.508 2.996 7.422 1.00 0.00 C ATOM 295 C GLU A 80 -10.739 2.842 8.333 1.00 0.00 C ATOM 296 O GLU A 80 -10.603 2.895 9.559 1.00 0.00 O ATOM 297 CB GLU A 80 -9.139 4.440 7.077 1.00 0.00 C ATOM 298 CG GLU A 80 -7.670 4.538 6.607 1.00 0.00 C ATOM 299 CD GLU A 80 -6.599 4.518 7.712 1.00 0.00 C ATOM 300 OE1 GLU A 80 -6.753 3.750 8.691 1.00 0.00 O ATOM 301 OE2 GLU A 80 -5.611 5.269 7.556 1.00 0.00 O ATOM 0 H GLU A 80 -9.871 2.632 5.377 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.716 2.608 8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.801 4.811 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.289 5.076 7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.473 3.711 5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.554 5.458 6.035 1.00 0.00 H new ATOM 308 N GLN A 81 -11.898 2.451 7.794 1.00 0.00 N ATOM 309 CA GLN A 81 -12.922 1.733 8.569 1.00 0.00 C ATOM 310 C GLN A 81 -12.258 0.637 9.424 1.00 0.00 C ATOM 311 O GLN A 81 -12.485 0.494 10.626 1.00 0.00 O ATOM 312 CB GLN A 81 -13.896 0.986 7.649 1.00 0.00 C ATOM 313 CG GLN A 81 -14.897 1.757 6.785 1.00 0.00 C ATOM 314 CD GLN A 81 -15.698 0.766 5.937 1.00 0.00 C ATOM 315 OE1 GLN A 81 -15.737 -0.430 6.228 1.00 0.00 O ATOM 316 NE2 GLN A 81 -16.341 1.204 4.878 1.00 0.00 N ATOM 0 H GLN A 81 -12.154 2.619 6.821 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.440 2.480 9.170 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.296 0.373 6.976 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.471 0.304 8.275 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.568 2.339 7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.372 2.463 6.142 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.310 2.194 4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.871 0.554 4.298 1.00 0.00 H new ATOM 325 N SER A 82 -11.406 -0.158 8.770 1.00 0.00 N ATOM 326 CA SER A 82 -10.644 -1.229 9.392 1.00 0.00 C ATOM 327 C SER A 82 -9.350 -0.756 10.087 1.00 0.00 C ATOM 328 O SER A 82 -8.653 -1.567 10.708 1.00 0.00 O ATOM 329 CB SER A 82 -10.375 -2.314 8.359 1.00 0.00 C ATOM 330 OG SER A 82 -10.182 -3.544 9.037 1.00 0.00 O ATOM 0 H SER A 82 -11.227 -0.067 7.770 1.00 0.00 H new ATOM 0 HA SER A 82 -11.250 -1.636 10.201 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.212 -2.392 7.665 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.493 -2.065 7.769 1.00 0.00 H new ATOM 0 HG SER A 82 -9.237 -3.798 8.991 1.00 0.00 H new ATOM 336 N ASN A 83 -9.065 0.545 10.035 1.00 0.00 N ATOM 337 CA ASN A 83 -7.986 1.264 10.707 1.00 0.00 C ATOM 338 C ASN A 83 -6.600 0.905 10.143 1.00 0.00 C ATOM 339 O ASN A 83 -5.643 0.727 10.905 1.00 0.00 O ATOM 340 CB ASN A 83 -8.106 1.092 12.234 1.00 0.00 C ATOM 341 CG ASN A 83 -9.549 0.912 12.696 1.00 0.00 C ATOM 342 OD1 ASN A 83 -9.876 -0.088 13.331 1.00 0.00 O ATOM 343 ND2 ASN A 83 -10.447 1.805 12.321 1.00 0.00 N ATOM 0 H ASN A 83 -9.634 1.177 9.472 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.093 2.329 10.498 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.519 0.228 12.545 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.677 1.964 12.728 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -11.430 1.670 12.558 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -10.158 2.629 11.794 1.00 0.00 H new ATOM 350 N ILE A 84 -6.512 0.722 8.824 1.00 0.00 N ATOM 351 CA ILE A 84 -5.288 0.424 8.077 1.00 0.00 C ATOM 352 C ILE A 84 -4.738 1.652 7.329 1.00 0.00 C ATOM 353 O ILE A 84 -5.263 2.020 6.281 1.00 0.00 O ATOM 354 CB ILE A 84 -5.554 -0.723 7.084 1.00 0.00 C ATOM 355 CG1 ILE A 84 -5.905 -2.008 7.843 1.00 0.00 C ATOM 356 CG2 ILE A 84 -4.338 -0.960 6.164 1.00 0.00 C ATOM 357 CD1 ILE A 84 -6.528 -3.057 6.924 1.00 0.00 C ATOM 0 H ILE A 84 -7.331 0.780 8.219 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.529 0.125 8.800 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.399 -0.438 6.457 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.005 -2.416 8.303 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.598 -1.775 8.651 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.557 -1.776 5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.128 -0.053 5.598 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.469 -1.219 6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.762 -3.952 7.500 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.443 -2.659 6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.824 -3.310 6.131 1.00 0.00 H new ATOM 369 N ARG A 85 -3.568 2.158 7.731 1.00 0.00 N ATOM 370 CA ARG A 85 -2.827 3.048 6.836 1.00 0.00 C ATOM 371 C ARG A 85 -2.330 2.269 5.606 1.00 0.00 C ATOM 372 O ARG A 85 -1.714 1.209 5.721 1.00 0.00 O ATOM 373 CB ARG A 85 -1.631 3.742 7.511 1.00 0.00 C ATOM 374 CG ARG A 85 -2.006 4.815 8.540 1.00 0.00 C ATOM 375 CD ARG A 85 -1.085 6.045 8.417 1.00 0.00 C ATOM 376 NE ARG A 85 0.342 5.724 8.671 1.00 0.00 N ATOM 377 CZ ARG A 85 1.410 6.474 8.350 1.00 0.00 C ATOM 378 NH1 ARG A 85 1.311 7.547 7.591 1.00 0.00 N ATOM 379 NH2 ARG A 85 2.613 6.163 8.787 1.00 0.00 N ATOM 0 H ARG A 85 -3.128 1.976 8.633 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.527 3.830 6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.020 2.985 8.003 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.012 4.199 6.739 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.043 5.117 8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.933 4.401 9.546 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.185 6.469 7.418 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.412 6.809 9.122 1.00 0.00 H new ATOM 0 HE ARG A 85 0.532 4.838 9.140 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.402 7.832 7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.144 8.092 7.368 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.744 5.342 9.378 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.413 6.743 8.534 1.00 0.00 H new ATOM 393 N ILE A 86 -2.546 2.824 4.419 1.00 0.00 N ATOM 394 CA ILE A 86 -1.915 2.373 3.182 1.00 0.00 C ATOM 395 C ILE A 86 -0.657 3.216 2.903 1.00 0.00 C ATOM 396 O ILE A 86 -0.756 4.441 2.825 1.00 0.00 O ATOM 397 CB ILE A 86 -2.943 2.456 2.044 1.00 0.00 C ATOM 398 CG1 ILE A 86 -4.063 1.409 2.198 1.00 0.00 C ATOM 399 CG2 ILE A 86 -2.265 2.286 0.689 1.00 0.00 C ATOM 400 CD1 ILE A 86 -3.629 -0.041 1.922 1.00 0.00 C ATOM 0 H ILE A 86 -3.176 3.615 4.286 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.591 1.336 3.267 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.396 3.446 2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.461 1.468 3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.877 1.666 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.012 2.348 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.524 3.074 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.773 1.314 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.481 -0.707 2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.260 -0.122 0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.837 -0.322 2.616 1.00 0.00 H new ATOM 412 N PRO A 87 0.535 2.609 2.749 1.00 0.00 N ATOM 413 CA PRO A 87 1.687 3.342 2.254 1.00 0.00 C ATOM 414 C PRO A 87 1.433 3.707 0.784 1.00 0.00 C ATOM 415 O PRO A 87 1.482 2.845 -0.087 1.00 0.00 O ATOM 416 CB PRO A 87 2.888 2.416 2.469 1.00 0.00 C ATOM 417 CG PRO A 87 2.296 1.006 2.486 1.00 0.00 C ATOM 418 CD PRO A 87 0.837 1.191 2.909 1.00 0.00 C ATOM 0 HA PRO A 87 1.876 4.284 2.769 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.621 2.527 1.670 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.399 2.642 3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.365 0.538 1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.830 0.362 3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.175 0.582 2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.690 0.877 3.943 1.00 0.00 H new ATOM 426 N SER A 88 1.108 4.977 0.526 1.00 0.00 N ATOM 427 CA SER A 88 0.597 5.545 -0.726 1.00 0.00 C ATOM 428 C SER A 88 1.262 5.078 -2.029 1.00 0.00 C ATOM 429 O SER A 88 0.625 5.152 -3.070 1.00 0.00 O ATOM 430 CB SER A 88 0.654 7.071 -0.612 1.00 0.00 C ATOM 431 OG SER A 88 0.185 7.471 0.667 1.00 0.00 O ATOM 0 H SER A 88 1.203 5.693 1.246 1.00 0.00 H new ATOM 0 HA SER A 88 -0.420 5.166 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.676 7.419 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.045 7.527 -1.393 1.00 0.00 H new ATOM 0 HG SER A 88 0.224 8.448 0.739 1.00 0.00 H new ATOM 437 N ASP A 89 2.497 4.580 -1.994 1.00 0.00 N ATOM 438 CA ASP A 89 3.108 3.836 -3.094 1.00 0.00 C ATOM 439 C ASP A 89 2.139 2.800 -3.716 1.00 0.00 C ATOM 440 O ASP A 89 1.855 2.819 -4.911 1.00 0.00 O ATOM 441 CB ASP A 89 4.362 3.185 -2.514 1.00 0.00 C ATOM 442 CG ASP A 89 5.076 2.415 -3.591 1.00 0.00 C ATOM 443 OD1 ASP A 89 5.807 3.058 -4.361 1.00 0.00 O ATOM 444 OD2 ASP A 89 4.994 1.175 -3.578 1.00 0.00 O ATOM 0 H ASP A 89 3.111 4.684 -1.187 1.00 0.00 H new ATOM 0 HA ASP A 89 3.360 4.500 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.022 3.948 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.092 2.519 -1.695 1.00 0.00 H new ATOM 449 N ILE A 90 1.533 1.978 -2.850 1.00 0.00 N ATOM 450 CA ILE A 90 0.387 1.115 -3.167 1.00 0.00 C ATOM 451 C ILE A 90 -0.600 1.809 -4.120 1.00 0.00 C ATOM 452 O ILE A 90 -1.001 1.279 -5.152 1.00 0.00 O ATOM 453 CB ILE A 90 -0.363 0.789 -1.855 1.00 0.00 C ATOM 454 CG1 ILE A 90 0.396 -0.112 -0.869 1.00 0.00 C ATOM 455 CG2 ILE A 90 -1.768 0.217 -2.102 1.00 0.00 C ATOM 456 CD1 ILE A 90 0.469 -1.565 -1.316 1.00 0.00 C ATOM 0 H ILE A 90 1.836 1.892 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 90 0.765 0.214 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.448 1.764 -1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.408 0.273 -0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.090 -0.063 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.248 0.007 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.364 0.942 -2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.689 -0.704 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.018 -2.146 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.540 -1.966 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.981 -1.625 -2.276 1.00 0.00 H new ATOM 468 N ILE A 91 -1.046 2.994 -3.711 1.00 0.00 N ATOM 469 CA ILE A 91 -2.117 3.737 -4.358 1.00 0.00 C ATOM 470 C ILE A 91 -1.624 4.324 -5.681 1.00 0.00 C ATOM 471 O ILE A 91 -2.311 4.203 -6.688 1.00 0.00 O ATOM 472 CB ILE A 91 -2.639 4.825 -3.395 1.00 0.00 C ATOM 473 CG1 ILE A 91 -3.132 4.180 -2.090 1.00 0.00 C ATOM 474 CG2 ILE A 91 -3.755 5.655 -4.037 1.00 0.00 C ATOM 475 CD1 ILE A 91 -3.533 5.191 -1.012 1.00 0.00 C ATOM 0 H ILE A 91 -0.660 3.474 -2.898 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.947 3.071 -4.592 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.814 5.501 -3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.987 3.542 -2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.347 3.535 -1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.098 6.411 -3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.375 6.143 -4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.587 5.003 -4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.870 4.659 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.675 5.814 -0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.341 5.820 -1.386 1.00 0.00 H new ATOM 487 N GLU A 92 -0.439 4.933 -5.696 1.00 0.00 N ATOM 488 CA GLU A 92 0.220 5.409 -6.909 1.00 0.00 C ATOM 489 C GLU A 92 0.230 4.324 -8.004 1.00 0.00 C ATOM 490 O GLU A 92 -0.339 4.511 -9.083 1.00 0.00 O ATOM 491 CB GLU A 92 1.626 5.900 -6.518 1.00 0.00 C ATOM 492 CG GLU A 92 2.536 6.271 -7.706 1.00 0.00 C ATOM 493 CD GLU A 92 1.946 7.260 -8.690 1.00 0.00 C ATOM 494 OE1 GLU A 92 1.120 8.108 -8.290 1.00 0.00 O ATOM 495 OE2 GLU A 92 2.271 7.155 -9.890 1.00 0.00 O ATOM 0 H GLU A 92 0.099 5.112 -4.848 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.329 6.242 -7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.524 6.771 -5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.117 5.123 -5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.466 6.684 -7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.794 5.359 -8.244 1.00 0.00 H new ATOM 502 N ASP A 93 0.804 3.157 -7.701 1.00 0.00 N ATOM 503 CA ASP A 93 0.854 2.029 -8.617 1.00 0.00 C ATOM 504 C ASP A 93 -0.565 1.589 -9.015 1.00 0.00 C ATOM 505 O ASP A 93 -0.936 1.575 -10.189 1.00 0.00 O ATOM 506 CB ASP A 93 1.646 0.908 -7.927 1.00 0.00 C ATOM 507 CG ASP A 93 1.510 -0.408 -8.660 1.00 0.00 C ATOM 508 OD1 ASP A 93 1.600 -0.391 -9.903 1.00 0.00 O ATOM 509 OD2 ASP A 93 1.252 -1.422 -7.977 1.00 0.00 O ATOM 0 H ASP A 93 1.250 2.973 -6.802 1.00 0.00 H new ATOM 0 HA ASP A 93 1.354 2.301 -9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.698 1.187 -7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.294 0.792 -6.902 1.00 0.00 H new ATOM 514 N LEU A 94 -1.395 1.264 -8.027 1.00 0.00 N ATOM 515 CA LEU A 94 -2.741 0.748 -8.285 1.00 0.00 C ATOM 516 C LEU A 94 -3.570 1.697 -9.173 1.00 0.00 C ATOM 517 O LEU A 94 -4.141 1.282 -10.179 1.00 0.00 O ATOM 518 CB LEU A 94 -3.423 0.419 -6.949 1.00 0.00 C ATOM 519 CG LEU A 94 -4.729 -0.397 -7.046 1.00 0.00 C ATOM 520 CD1 LEU A 94 -5.917 0.554 -6.942 1.00 0.00 C ATOM 521 CD2 LEU A 94 -4.896 -1.299 -8.274 1.00 0.00 C ATOM 0 H LEU A 94 -1.161 1.348 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.664 -0.175 -8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.717 -0.133 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.638 1.354 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.678 -1.098 -6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.845 -0.014 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.881 1.078 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.875 1.279 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.855 -1.815 -8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.862 -0.692 -9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.090 -2.032 -8.299 1.00 0.00 H new ATOM 533 N VAL A 95 -3.581 2.990 -8.856 1.00 0.00 N ATOM 534 CA VAL A 95 -4.119 4.047 -9.712 1.00 0.00 C ATOM 535 C VAL A 95 -3.507 4.014 -11.124 1.00 0.00 C ATOM 536 O VAL A 95 -4.253 4.050 -12.105 1.00 0.00 O ATOM 537 CB VAL A 95 -3.949 5.413 -9.024 1.00 0.00 C ATOM 538 CG1 VAL A 95 -4.220 6.586 -9.969 1.00 0.00 C ATOM 539 CG2 VAL A 95 -4.914 5.533 -7.836 1.00 0.00 C ATOM 0 H VAL A 95 -3.207 3.341 -7.975 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.186 3.872 -9.852 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.911 5.462 -8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.086 7.525 -9.432 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.525 6.545 -10.808 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.243 6.524 -10.342 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.784 6.504 -7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.941 5.438 -8.190 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.704 4.743 -7.115 1.00 0.00 H new ATOM 549 N ASN A 96 -2.180 3.925 -11.253 1.00 0.00 N ATOM 550 CA ASN A 96 -1.532 3.766 -12.558 1.00 0.00 C ATOM 551 C ASN A 96 -2.032 2.534 -13.332 1.00 0.00 C ATOM 552 O ASN A 96 -2.145 2.584 -14.555 1.00 0.00 O ATOM 553 CB ASN A 96 -0.002 3.696 -12.430 1.00 0.00 C ATOM 554 CG ASN A 96 0.631 4.953 -11.857 1.00 0.00 C ATOM 555 OD1 ASN A 96 0.153 6.066 -12.062 1.00 0.00 O ATOM 556 ND2 ASN A 96 1.751 4.803 -11.179 1.00 0.00 N ATOM 0 H ASN A 96 -1.532 3.961 -10.466 1.00 0.00 H new ATOM 0 HA ASN A 96 -1.807 4.655 -13.125 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.260 2.849 -11.796 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.426 3.503 -13.414 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.239 5.620 -10.813 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.130 3.869 -11.020 1.00 0.00 H new ATOM 563 N GLN A 97 -2.309 1.414 -12.655 1.00 0.00 N ATOM 564 CA GLN A 97 -2.803 0.202 -13.307 1.00 0.00 C ATOM 565 C GLN A 97 -4.307 0.243 -13.637 1.00 0.00 C ATOM 566 O GLN A 97 -4.673 0.199 -14.812 1.00 0.00 O ATOM 567 CB GLN A 97 -2.408 -1.065 -12.529 1.00 0.00 C ATOM 568 CG GLN A 97 -0.928 -1.164 -12.105 1.00 0.00 C ATOM 569 CD GLN A 97 0.103 -0.641 -13.103 1.00 0.00 C ATOM 570 OE1 GLN A 97 -0.073 -0.671 -14.320 1.00 0.00 O ATOM 571 NE2 GLN A 97 1.224 -0.149 -12.611 1.00 0.00 N ATOM 0 H GLN A 97 -2.197 1.325 -11.645 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.302 0.160 -14.274 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.027 -1.125 -11.634 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.649 -1.934 -13.142 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.804 -0.619 -11.169 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.702 -2.210 -11.897 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.370 -0.124 -11.602 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.944 0.206 -13.240 1.00 0.00 H new ATOM 580 N ARG A 98 -5.145 0.314 -12.605 1.00 0.00 N ATOM 581 CA ARG A 98 -6.595 0.094 -12.608 1.00 0.00 C ATOM 582 C ARG A 98 -7.017 -1.338 -12.971 1.00 0.00 C ATOM 583 O ARG A 98 -6.872 -1.776 -14.110 1.00 0.00 O ATOM 584 CB ARG A 98 -7.363 1.110 -13.465 1.00 0.00 C ATOM 585 CG ARG A 98 -7.208 2.560 -12.999 1.00 0.00 C ATOM 586 CD ARG A 98 -7.542 2.719 -11.506 1.00 0.00 C ATOM 587 NE ARG A 98 -8.004 4.075 -11.139 1.00 0.00 N ATOM 588 CZ ARG A 98 -7.628 5.260 -11.618 1.00 0.00 C ATOM 589 NH1 ARG A 98 -6.588 5.398 -12.411 1.00 0.00 N ATOM 590 NH2 ARG A 98 -8.292 6.353 -11.315 1.00 0.00 N ATOM 0 H ARG A 98 -4.804 0.544 -11.672 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.876 0.252 -11.567 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.021 1.032 -14.497 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.421 0.848 -13.460 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.186 2.893 -13.180 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.862 3.203 -13.588 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.313 1.997 -11.237 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.658 2.475 -10.917 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.717 4.108 -10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.039 4.581 -12.679 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.330 6.322 -12.758 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.108 6.301 -10.705 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.991 7.253 -11.690 1.00 0.00 H new ATOM 604 N LEU A 99 -7.598 -2.034 -11.994 1.00 0.00 N ATOM 605 CA LEU A 99 -8.455 -3.196 -12.214 1.00 0.00 C ATOM 606 C LEU A 99 -9.922 -2.741 -12.290 1.00 0.00 C ATOM 607 O LEU A 99 -10.200 -1.545 -12.207 1.00 0.00 O ATOM 608 CB LEU A 99 -8.182 -4.227 -11.115 1.00 0.00 C ATOM 609 CG LEU A 99 -6.678 -4.505 -10.928 1.00 0.00 C ATOM 610 CD1 LEU A 99 -6.512 -5.666 -9.951 1.00 0.00 C ATOM 611 CD2 LEU A 99 -5.990 -4.904 -12.241 1.00 0.00 C ATOM 0 H LEU A 99 -7.483 -1.800 -11.008 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.236 -3.682 -13.165 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.602 -3.871 -10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.693 -5.158 -11.360 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.220 -3.587 -10.560 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.451 -5.874 -9.809 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.961 -5.403 -8.993 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.005 -6.552 -10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.932 -5.089 -12.056 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.453 -5.809 -12.634 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.096 -4.098 -12.967 1.00 0.00 H new ATOM 623 N GLN A 100 -10.865 -3.655 -12.503 1.00 0.00 N ATOM 624 CA GLN A 100 -12.235 -3.279 -12.851 1.00 0.00 C ATOM 625 C GLN A 100 -13.076 -2.898 -11.619 1.00 0.00 C ATOM 626 O GLN A 100 -13.786 -1.894 -11.647 1.00 0.00 O ATOM 627 CB GLN A 100 -12.902 -4.386 -13.685 1.00 0.00 C ATOM 628 CG GLN A 100 -12.362 -4.514 -15.121 1.00 0.00 C ATOM 629 CD GLN A 100 -10.887 -4.881 -15.273 1.00 0.00 C ATOM 630 OE1 GLN A 100 -10.203 -4.352 -16.139 1.00 0.00 O ATOM 631 NE2 GLN A 100 -10.352 -5.798 -14.486 1.00 0.00 N ATOM 0 H GLN A 100 -10.707 -4.661 -12.441 1.00 0.00 H new ATOM 0 HA GLN A 100 -12.182 -2.379 -13.463 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.769 -5.339 -13.174 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.974 -4.195 -13.729 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -12.955 -5.267 -15.641 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -12.531 -3.567 -15.633 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.918 -6.242 -13.763 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.374 -6.062 -14.602 1.00 0.00 H new ATOM 640 N SER A 101 -13.031 -3.706 -10.558 1.00 0.00 N ATOM 641 CA SER A 101 -13.920 -3.586 -9.400 1.00 0.00 C ATOM 642 C SER A 101 -13.203 -3.569 -8.034 1.00 0.00 C ATOM 643 O SER A 101 -12.083 -4.052 -7.877 1.00 0.00 O ATOM 644 CB SER A 101 -14.932 -4.740 -9.469 1.00 0.00 C ATOM 645 OG SER A 101 -16.051 -4.478 -8.637 1.00 0.00 O ATOM 0 H SER A 101 -12.365 -4.475 -10.478 1.00 0.00 H new ATOM 0 HA SER A 101 -14.409 -2.613 -9.459 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.263 -4.879 -10.498 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.453 -5.669 -9.160 1.00 0.00 H new ATOM 0 HG SER A 101 -16.031 -3.542 -8.347 1.00 0.00 H new ATOM 651 N GLU A 102 -13.899 -3.061 -7.013 1.00 0.00 N ATOM 652 CA GLU A 102 -13.543 -3.068 -5.594 1.00 0.00 C ATOM 653 C GLU A 102 -12.824 -4.358 -5.151 1.00 0.00 C ATOM 654 O GLU A 102 -11.751 -4.348 -4.553 1.00 0.00 O ATOM 655 CB GLU A 102 -14.824 -2.872 -4.763 1.00 0.00 C ATOM 656 CG GLU A 102 -15.690 -1.668 -5.176 1.00 0.00 C ATOM 657 CD GLU A 102 -16.786 -2.036 -6.161 1.00 0.00 C ATOM 658 OE1 GLU A 102 -16.478 -2.243 -7.354 1.00 0.00 O ATOM 659 OE2 GLU A 102 -17.934 -2.267 -5.733 1.00 0.00 O ATOM 0 H GLU A 102 -14.795 -2.599 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.838 -2.253 -5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -15.428 -3.777 -4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.545 -2.758 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.141 -1.230 -4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.052 -0.904 -5.620 1.00 0.00 H new ATOM 666 N GLN A 103 -13.420 -5.502 -5.469 1.00 0.00 N ATOM 667 CA GLN A 103 -12.883 -6.814 -5.125 1.00 0.00 C ATOM 668 C GLN A 103 -11.496 -7.056 -5.733 1.00 0.00 C ATOM 669 O GLN A 103 -10.618 -7.635 -5.097 1.00 0.00 O ATOM 670 CB GLN A 103 -13.906 -7.861 -5.577 1.00 0.00 C ATOM 671 CG GLN A 103 -13.463 -9.323 -5.430 1.00 0.00 C ATOM 672 CD GLN A 103 -13.258 -9.735 -3.982 1.00 0.00 C ATOM 673 OE1 GLN A 103 -14.137 -10.313 -3.357 1.00 0.00 O ATOM 674 NE2 GLN A 103 -12.092 -9.471 -3.428 1.00 0.00 N ATOM 0 H GLN A 103 -14.302 -5.545 -5.980 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.730 -6.882 -4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.823 -7.718 -5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.150 -7.677 -6.623 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.212 -9.972 -5.885 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.534 -9.473 -5.980 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.370 -8.988 -3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.911 -9.749 -2.464 1.00 0.00 H new ATOM 683 N GLU A 104 -11.295 -6.623 -6.969 1.00 0.00 N ATOM 684 CA GLU A 104 -10.019 -6.776 -7.645 1.00 0.00 C ATOM 685 C GLU A 104 -8.974 -5.848 -7.031 1.00 0.00 C ATOM 686 O GLU A 104 -7.871 -6.285 -6.705 1.00 0.00 O ATOM 687 CB GLU A 104 -10.197 -6.474 -9.126 1.00 0.00 C ATOM 688 CG GLU A 104 -11.207 -7.418 -9.782 1.00 0.00 C ATOM 689 CD GLU A 104 -11.765 -6.761 -11.026 1.00 0.00 C ATOM 690 OE1 GLU A 104 -10.963 -6.437 -11.927 1.00 0.00 O ATOM 691 OE2 GLU A 104 -12.971 -6.452 -10.989 1.00 0.00 O ATOM 0 H GLU A 104 -12.010 -6.158 -7.528 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.669 -7.801 -7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.530 -5.443 -9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.236 -6.561 -9.633 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.727 -8.362 -10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.013 -7.649 -9.085 1.00 0.00 H new ATOM 698 N VAL A 105 -9.309 -4.571 -6.827 1.00 0.00 N ATOM 699 CA VAL A 105 -8.339 -3.661 -6.233 1.00 0.00 C ATOM 700 C VAL A 105 -8.023 -4.059 -4.792 1.00 0.00 C ATOM 701 O VAL A 105 -6.863 -3.998 -4.409 1.00 0.00 O ATOM 702 CB VAL A 105 -8.691 -2.177 -6.390 1.00 0.00 C ATOM 703 CG1 VAL A 105 -8.862 -1.803 -7.870 1.00 0.00 C ATOM 704 CG2 VAL A 105 -9.951 -1.776 -5.637 1.00 0.00 C ATOM 0 H VAL A 105 -10.213 -4.159 -7.057 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.421 -3.771 -6.810 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.852 -1.632 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.111 -0.745 -7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.933 -1.999 -8.405 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.664 -2.399 -8.306 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -10.144 -0.714 -5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.796 -2.355 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.817 -1.971 -4.573 1.00 0.00 H new ATOM 714 N LEU A 106 -8.983 -4.557 -4.000 1.00 0.00 N ATOM 715 CA LEU A 106 -8.613 -5.060 -2.678 1.00 0.00 C ATOM 716 C LEU A 106 -7.673 -6.271 -2.791 1.00 0.00 C ATOM 717 O LEU A 106 -6.698 -6.349 -2.051 1.00 0.00 O ATOM 718 CB LEU A 106 -9.817 -5.221 -1.731 1.00 0.00 C ATOM 719 CG LEU A 106 -10.610 -6.529 -1.836 1.00 0.00 C ATOM 720 CD1 LEU A 106 -9.982 -7.684 -1.042 1.00 0.00 C ATOM 721 CD2 LEU A 106 -12.021 -6.310 -1.278 1.00 0.00 C ATOM 0 H LEU A 106 -9.973 -4.620 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 106 -8.023 -4.296 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.459 -5.123 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.503 -4.393 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.616 -6.800 -2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.592 -8.580 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.977 -7.878 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.931 -7.415 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.589 -7.238 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.956 -6.005 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.523 -5.531 -1.853 1.00 0.00 H new ATOM 733 N ASN A 107 -7.900 -7.189 -3.743 1.00 0.00 N ATOM 734 CA ASN A 107 -6.953 -8.288 -3.979 1.00 0.00 C ATOM 735 C ASN A 107 -5.544 -7.762 -4.315 1.00 0.00 C ATOM 736 O ASN A 107 -4.559 -8.122 -3.665 1.00 0.00 O ATOM 737 CB ASN A 107 -7.459 -9.217 -5.094 1.00 0.00 C ATOM 738 CG ASN A 107 -8.774 -9.909 -4.770 1.00 0.00 C ATOM 739 OD1 ASN A 107 -9.147 -10.088 -3.617 1.00 0.00 O ATOM 740 ND2 ASN A 107 -9.499 -10.333 -5.794 1.00 0.00 N ATOM 0 H ASN A 107 -8.718 -7.193 -4.353 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.883 -8.861 -3.054 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.581 -8.637 -6.009 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.701 -9.974 -5.295 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.382 -10.816 -5.628 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.175 -10.176 -6.748 1.00 0.00 H new ATOM 747 N TYR A 108 -5.449 -6.902 -5.329 1.00 0.00 N ATOM 748 CA TYR A 108 -4.201 -6.288 -5.773 1.00 0.00 C ATOM 749 C TYR A 108 -3.495 -5.539 -4.640 1.00 0.00 C ATOM 750 O TYR A 108 -2.366 -5.866 -4.287 1.00 0.00 O ATOM 751 CB TYR A 108 -4.498 -5.353 -6.946 1.00 0.00 C ATOM 752 CG TYR A 108 -3.261 -4.786 -7.615 1.00 0.00 C ATOM 753 CD1 TYR A 108 -2.625 -3.641 -7.093 1.00 0.00 C ATOM 754 CD2 TYR A 108 -2.749 -5.402 -8.770 1.00 0.00 C ATOM 755 CE1 TYR A 108 -1.511 -3.093 -7.755 1.00 0.00 C ATOM 756 CE2 TYR A 108 -1.646 -4.843 -9.433 1.00 0.00 C ATOM 757 CZ TYR A 108 -1.035 -3.685 -8.934 1.00 0.00 C ATOM 758 OH TYR A 108 0.053 -3.203 -9.581 1.00 0.00 O ATOM 0 H TYR A 108 -6.258 -6.607 -5.876 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.520 -7.076 -6.094 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.084 -5.894 -7.689 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -5.117 -4.528 -6.592 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.993 -3.185 -6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.205 -6.306 -9.147 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.022 -2.217 -7.355 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.266 -5.307 -10.331 1.00 0.00 H new ATOM 0 HH TYR A 108 0.641 -2.750 -8.941 1.00 0.00 H new ATOM 768 N ILE A 109 -4.164 -4.554 -4.045 1.00 0.00 N ATOM 769 CA ILE A 109 -3.652 -3.794 -2.910 1.00 0.00 C ATOM 770 C ILE A 109 -3.160 -4.733 -1.807 1.00 0.00 C ATOM 771 O ILE A 109 -2.032 -4.601 -1.359 1.00 0.00 O ATOM 772 CB ILE A 109 -4.734 -2.856 -2.351 1.00 0.00 C ATOM 773 CG1 ILE A 109 -5.060 -1.731 -3.338 1.00 0.00 C ATOM 774 CG2 ILE A 109 -4.254 -2.261 -1.025 1.00 0.00 C ATOM 775 CD1 ILE A 109 -6.294 -0.951 -2.879 1.00 0.00 C ATOM 0 H ILE A 109 -5.093 -4.257 -4.344 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.813 -3.194 -3.261 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.643 -3.436 -2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.208 -1.057 -3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -5.236 -2.149 -4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -5.020 -1.595 -0.627 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -4.065 -3.064 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.335 -1.699 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.509 -0.156 -3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.149 -1.625 -2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.105 -0.515 -1.898 1.00 0.00 H new ATOM 787 N GLU A 110 -3.963 -5.697 -1.355 1.00 0.00 N ATOM 788 CA GLU A 110 -3.542 -6.662 -0.340 1.00 0.00 C ATOM 789 C GLU A 110 -2.269 -7.443 -0.757 1.00 0.00 C ATOM 790 O GLU A 110 -1.352 -7.651 0.052 1.00 0.00 O ATOM 791 CB GLU A 110 -4.738 -7.561 -0.005 1.00 0.00 C ATOM 792 CG GLU A 110 -5.816 -6.784 0.777 1.00 0.00 C ATOM 793 CD GLU A 110 -5.630 -6.885 2.272 1.00 0.00 C ATOM 794 OE1 GLU A 110 -5.987 -7.954 2.811 1.00 0.00 O ATOM 795 OE2 GLU A 110 -5.153 -5.912 2.884 1.00 0.00 O ATOM 0 H GLU A 110 -4.920 -5.830 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.241 -6.138 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.167 -7.958 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.402 -8.414 0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.790 -5.735 0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.801 -7.167 0.510 1.00 0.00 H new ATOM 802 N THR A 111 -2.171 -7.834 -2.029 1.00 0.00 N ATOM 803 CA THR A 111 -0.951 -8.420 -2.599 1.00 0.00 C ATOM 804 C THR A 111 0.247 -7.458 -2.523 1.00 0.00 C ATOM 805 O THR A 111 1.265 -7.786 -1.916 1.00 0.00 O ATOM 806 CB THR A 111 -1.196 -8.920 -4.032 1.00 0.00 C ATOM 807 OG1 THR A 111 -2.305 -9.795 -4.033 1.00 0.00 O ATOM 808 CG2 THR A 111 -0.002 -9.712 -4.562 1.00 0.00 C ATOM 0 H THR A 111 -2.937 -7.754 -2.697 1.00 0.00 H new ATOM 0 HA THR A 111 -0.690 -9.284 -1.988 1.00 0.00 H new ATOM 0 HB THR A 111 -1.364 -8.046 -4.661 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.132 -9.275 -3.955 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.211 -10.050 -5.577 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.883 -9.076 -4.566 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.175 -10.576 -3.922 1.00 0.00 H new ATOM 816 N GLN A 112 0.124 -6.246 -3.058 1.00 0.00 N ATOM 817 CA GLN A 112 1.164 -5.215 -3.057 1.00 0.00 C ATOM 818 C GLN A 112 1.553 -4.771 -1.620 1.00 0.00 C ATOM 819 O GLN A 112 2.706 -4.516 -1.291 1.00 0.00 O ATOM 820 CB GLN A 112 0.671 -4.077 -3.974 1.00 0.00 C ATOM 821 CG GLN A 112 1.756 -3.085 -4.411 1.00 0.00 C ATOM 822 CD GLN A 112 2.740 -3.704 -5.392 1.00 0.00 C ATOM 823 OE1 GLN A 112 3.603 -4.482 -5.008 1.00 0.00 O ATOM 824 NE2 GLN A 112 2.617 -3.405 -6.668 1.00 0.00 N ATOM 0 H GLN A 112 -0.732 -5.942 -3.521 1.00 0.00 H new ATOM 0 HA GLN A 112 2.103 -5.600 -3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.221 -4.516 -4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.116 -3.528 -3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.287 -2.215 -4.870 1.00 0.00 H new ATOM 0 HG3 GLN A 112 2.296 -2.730 -3.533 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.892 -2.755 -6.972 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.246 -3.824 -7.353 1.00 0.00 H new ATOM 833 N ARG A 113 0.587 -4.783 -0.704 1.00 0.00 N ATOM 834 CA ARG A 113 0.716 -4.621 0.747 1.00 0.00 C ATOM 835 C ARG A 113 1.460 -5.819 1.375 1.00 0.00 C ATOM 836 O ARG A 113 2.023 -5.754 2.471 1.00 0.00 O ATOM 837 CB ARG A 113 -0.715 -4.453 1.289 1.00 0.00 C ATOM 838 CG ARG A 113 -0.865 -4.130 2.774 1.00 0.00 C ATOM 839 CD ARG A 113 -2.349 -4.164 3.167 1.00 0.00 C ATOM 840 NE ARG A 113 -2.528 -3.801 4.591 1.00 0.00 N ATOM 841 CZ ARG A 113 -3.273 -4.442 5.506 1.00 0.00 C ATOM 842 NH1 ARG A 113 -4.036 -5.476 5.231 1.00 0.00 N ATOM 843 NH2 ARG A 113 -3.268 -4.073 6.766 1.00 0.00 N ATOM 0 H ARG A 113 -0.386 -4.917 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 113 1.317 -3.749 1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.201 -3.660 0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.263 -5.373 1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.305 -4.850 3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.446 -3.146 2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.911 -3.474 2.538 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.754 -5.160 2.988 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.030 -2.971 4.913 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.085 -5.834 4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.579 -5.920 5.971 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.691 -3.287 7.065 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -3.841 -4.573 7.446 1.00 0.00 H new ATOM 857 N THR A 114 1.435 -6.979 0.725 1.00 0.00 N ATOM 858 CA THR A 114 2.267 -8.140 1.060 1.00 0.00 C ATOM 859 C THR A 114 3.680 -8.084 0.456 1.00 0.00 C ATOM 860 O THR A 114 4.637 -8.373 1.176 1.00 0.00 O ATOM 861 CB THR A 114 1.474 -9.428 0.830 1.00 0.00 C ATOM 862 OG1 THR A 114 0.312 -9.310 1.642 1.00 0.00 O ATOM 863 CG2 THR A 114 2.238 -10.683 1.252 1.00 0.00 C ATOM 0 H THR A 114 0.820 -7.146 -0.072 1.00 0.00 H new ATOM 0 HA THR A 114 2.497 -8.121 2.125 1.00 0.00 H new ATOM 0 HB THR A 114 1.260 -9.539 -0.233 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.348 -8.746 1.188 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.623 -11.563 1.064 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.162 -10.757 0.679 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.474 -10.625 2.315 1.00 0.00 H new ATOM 871 N TYR A 115 3.847 -7.593 -0.774 1.00 0.00 N ATOM 872 CA TYR A 115 5.153 -7.112 -1.245 1.00 0.00 C ATOM 873 C TYR A 115 5.793 -6.157 -0.219 1.00 0.00 C ATOM 874 O TYR A 115 6.862 -6.443 0.324 1.00 0.00 O ATOM 875 CB TYR A 115 5.019 -6.469 -2.634 1.00 0.00 C ATOM 876 CG TYR A 115 6.177 -5.569 -3.021 1.00 0.00 C ATOM 877 CD1 TYR A 115 7.410 -6.142 -3.375 1.00 0.00 C ATOM 878 CD2 TYR A 115 6.053 -4.168 -2.938 1.00 0.00 C ATOM 879 CE1 TYR A 115 8.521 -5.319 -3.621 1.00 0.00 C ATOM 880 CE2 TYR A 115 7.171 -3.349 -3.174 1.00 0.00 C ATOM 881 CZ TYR A 115 8.402 -3.928 -3.516 1.00 0.00 C ATOM 882 OH TYR A 115 9.514 -3.152 -3.587 1.00 0.00 O ATOM 0 H TYR A 115 3.098 -7.517 -1.462 1.00 0.00 H new ATOM 0 HA TYR A 115 5.825 -7.964 -1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 115 4.924 -7.259 -3.379 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.097 -5.888 -2.665 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.503 -7.215 -3.458 1.00 0.00 H new ATOM 0 HD2 TYR A 115 5.100 -3.724 -2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.469 -5.760 -3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 115 7.082 -2.276 -3.092 1.00 0.00 H new ATOM 0 HH TYR A 115 10.305 -3.696 -3.391 1.00 0.00 H new ATOM 892 N TRP A 116 5.100 -5.074 0.139 1.00 0.00 N ATOM 893 CA TRP A 116 5.564 -4.131 1.152 1.00 0.00 C ATOM 894 C TRP A 116 5.902 -4.784 2.508 1.00 0.00 C ATOM 895 O TRP A 116 6.936 -4.475 3.092 1.00 0.00 O ATOM 896 CB TRP A 116 4.608 -2.934 1.261 1.00 0.00 C ATOM 897 CG TRP A 116 4.935 -1.808 0.322 1.00 0.00 C ATOM 898 CD1 TRP A 116 4.177 -1.357 -0.706 1.00 0.00 C ATOM 899 CD2 TRP A 116 6.149 -0.992 0.303 1.00 0.00 C ATOM 900 NE1 TRP A 116 4.842 -0.337 -1.355 1.00 0.00 N ATOM 901 CE2 TRP A 116 6.050 -0.061 -0.766 1.00 0.00 C ATOM 902 CE3 TRP A 116 7.333 -0.952 1.073 1.00 0.00 C ATOM 903 CZ2 TRP A 116 7.057 0.870 -1.052 1.00 0.00 C ATOM 904 CZ3 TRP A 116 8.368 -0.045 0.769 1.00 0.00 C ATOM 905 CH2 TRP A 116 8.227 0.874 -0.285 1.00 0.00 C ATOM 0 H TRP A 116 4.198 -4.828 -0.269 1.00 0.00 H new ATOM 0 HA TRP A 116 6.525 -3.745 0.811 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.591 -3.274 1.065 1.00 0.00 H new ATOM 0 HB3 TRP A 116 4.627 -2.558 2.284 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.203 -1.737 -0.976 1.00 0.00 H new ATOM 0 HE1 TRP A 116 4.480 0.152 -2.173 1.00 0.00 H new ATOM 0 HE3 TRP A 116 7.447 -1.627 1.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 6.931 1.578 -1.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 9.278 -0.056 1.351 1.00 0.00 H new ATOM 0 HH2 TRP A 116 9.016 1.578 -0.501 1.00 0.00 H new ATOM 916 N LYS A 117 5.113 -5.744 3.013 1.00 0.00 N ATOM 917 CA LYS A 117 5.578 -6.548 4.158 1.00 0.00 C ATOM 918 C LYS A 117 6.951 -7.204 3.917 1.00 0.00 C ATOM 919 O LYS A 117 7.823 -7.132 4.784 1.00 0.00 O ATOM 920 CB LYS A 117 4.559 -7.625 4.571 1.00 0.00 C ATOM 921 CG LYS A 117 3.390 -7.012 5.339 1.00 0.00 C ATOM 922 CD LYS A 117 2.382 -8.048 5.865 1.00 0.00 C ATOM 923 CE LYS A 117 1.573 -8.767 4.775 1.00 0.00 C ATOM 924 NZ LYS A 117 0.754 -7.843 3.954 1.00 0.00 N ATOM 0 H LYS A 117 4.184 -5.979 2.664 1.00 0.00 H new ATOM 0 HA LYS A 117 5.684 -5.835 4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.186 -8.137 3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 117 5.050 -8.376 5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.780 -6.439 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.869 -6.309 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.920 -8.794 6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.689 -7.549 6.543 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.256 -9.313 4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.920 -9.504 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.312 -8.371 3.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.014 -7.415 4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.361 -7.094 3.564 1.00 0.00 H new ATOM 938 N LEU A 118 7.155 -7.838 2.760 1.00 0.00 N ATOM 939 CA LEU A 118 8.435 -8.442 2.395 1.00 0.00 C ATOM 940 C LEU A 118 9.557 -7.381 2.378 1.00 0.00 C ATOM 941 O LEU A 118 10.581 -7.545 3.044 1.00 0.00 O ATOM 942 CB LEU A 118 8.245 -9.302 1.126 1.00 0.00 C ATOM 943 CG LEU A 118 9.203 -9.044 -0.043 1.00 0.00 C ATOM 944 CD1 LEU A 118 10.608 -9.603 0.220 1.00 0.00 C ATOM 945 CD2 LEU A 118 8.657 -9.737 -1.296 1.00 0.00 C ATOM 0 H LEU A 118 6.433 -7.946 2.048 1.00 0.00 H new ATOM 0 HA LEU A 118 8.787 -9.146 3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 118 8.334 -10.350 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 118 7.226 -9.155 0.767 1.00 0.00 H new ATOM 0 HG LEU A 118 9.275 -7.964 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.249 -9.395 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.027 -9.131 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 118 10.548 -10.680 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 118 9.332 -9.559 -2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.579 -10.809 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.671 -9.336 -1.533 1.00 0.00 H new ATOM 957 N GLU A 119 9.355 -6.235 1.721 1.00 0.00 N ATOM 958 CA GLU A 119 10.284 -5.102 1.795 1.00 0.00 C ATOM 959 C GLU A 119 10.570 -4.664 3.236 1.00 0.00 C ATOM 960 O GLU A 119 11.707 -4.396 3.616 1.00 0.00 O ATOM 961 CB GLU A 119 9.734 -3.909 1.007 1.00 0.00 C ATOM 962 CG GLU A 119 9.753 -4.138 -0.509 1.00 0.00 C ATOM 963 CD GLU A 119 11.147 -4.274 -1.094 1.00 0.00 C ATOM 964 OE1 GLU A 119 12.142 -4.015 -0.381 1.00 0.00 O ATOM 965 OE2 GLU A 119 11.258 -4.745 -2.245 1.00 0.00 O ATOM 0 H GLU A 119 8.545 -6.066 1.124 1.00 0.00 H new ATOM 0 HA GLU A 119 11.223 -5.442 1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.711 -3.709 1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.321 -3.022 1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.184 -5.040 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.244 -3.308 -0.998 1.00 0.00 H new ATOM 972 N ASN A 120 9.545 -4.622 4.083 1.00 0.00 N ATOM 973 CA ASN A 120 9.684 -4.292 5.497 1.00 0.00 C ATOM 974 C ASN A 120 10.346 -5.418 6.322 1.00 0.00 C ATOM 975 O ASN A 120 10.685 -5.213 7.491 1.00 0.00 O ATOM 976 CB ASN A 120 8.318 -3.938 6.092 1.00 0.00 C ATOM 977 CG ASN A 120 7.548 -2.798 5.432 1.00 0.00 C ATOM 978 OD1 ASN A 120 6.358 -2.645 5.672 1.00 0.00 O ATOM 979 ND2 ASN A 120 8.177 -1.969 4.620 1.00 0.00 N ATOM 0 H ASN A 120 8.584 -4.818 3.803 1.00 0.00 H new ATOM 0 HA ASN A 120 10.349 -3.430 5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.694 -4.831 6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.461 -3.686 7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.671 -1.196 4.189 1.00 0.00 H new ATOM 0 HD22 ASN A 120 9.169 -2.102 4.424 1.00 0.00 H new ATOM 986 N GLN A 121 10.493 -6.616 5.753 1.00 0.00 N ATOM 987 CA GLN A 121 11.122 -7.792 6.364 1.00 0.00 C ATOM 988 C GLN A 121 12.618 -7.903 6.013 1.00 0.00 C ATOM 989 O GLN A 121 13.431 -8.083 6.911 1.00 0.00 O ATOM 990 CB GLN A 121 10.291 -9.036 5.991 1.00 0.00 C ATOM 991 CG GLN A 121 11.009 -10.393 6.119 1.00 0.00 C ATOM 992 CD GLN A 121 11.751 -10.792 4.845 1.00 0.00 C ATOM 993 OE1 GLN A 121 12.971 -10.812 4.796 1.00 0.00 O ATOM 994 NE2 GLN A 121 11.030 -11.095 3.777 1.00 0.00 N ATOM 0 H GLN A 121 10.161 -6.803 4.807 1.00 0.00 H new ATOM 0 HA GLN A 121 11.118 -7.697 7.450 1.00 0.00 H new ATOM 0 HB2 GLN A 121 9.402 -9.057 6.622 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.949 -8.924 4.962 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.716 -10.348 6.947 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.279 -11.164 6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.011 -11.076 3.827 1.00 0.00 H new ATOM 0 HE22 GLN A 121 11.493 -11.348 2.904 1.00 0.00 H new ATOM 1003 N LYS A 122 12.985 -7.768 4.731 1.00 0.00 N ATOM 1004 CA LYS A 122 14.336 -7.977 4.191 1.00 0.00 C ATOM 1005 C LYS A 122 15.514 -7.643 5.145 1.00 0.00 C ATOM 1006 O LYS A 122 15.584 -6.545 5.706 1.00 0.00 O ATOM 1007 CB LYS A 122 14.460 -7.140 2.914 1.00 0.00 C ATOM 1008 CG LYS A 122 13.781 -7.688 1.652 1.00 0.00 C ATOM 1009 CD LYS A 122 14.076 -6.670 0.540 1.00 0.00 C ATOM 1010 CE LYS A 122 13.370 -6.942 -0.794 1.00 0.00 C ATOM 1011 NZ LYS A 122 13.563 -5.794 -1.710 1.00 0.00 N ATOM 0 H LYS A 122 12.317 -7.498 4.009 1.00 0.00 H new ATOM 0 HA LYS A 122 14.430 -9.049 4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 122 14.050 -6.151 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 122 15.520 -7.007 2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 122 14.172 -8.672 1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 122 12.708 -7.801 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 122 13.788 -5.679 0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 122 15.152 -6.647 0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 122 13.767 -7.850 -1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 122 12.306 -7.109 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 12.845 -5.825 -2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 13.469 -4.906 -1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 14.511 -5.845 -2.135 1.00 0.00 H new ATOM 1025 N LYS A 123 16.475 -8.560 5.271 1.00 0.00 N ATOM 1026 CA LYS A 123 17.750 -8.387 5.982 1.00 0.00 C ATOM 1027 C LYS A 123 18.498 -7.075 5.665 1.00 0.00 C ATOM 1028 O LYS A 123 18.704 -6.777 4.492 1.00 0.00 O ATOM 1029 CB LYS A 123 18.657 -9.590 5.646 1.00 0.00 C ATOM 1030 CG LYS A 123 18.969 -9.752 4.141 1.00 0.00 C ATOM 1031 CD LYS A 123 20.393 -9.291 3.780 1.00 0.00 C ATOM 1032 CE LYS A 123 20.602 -9.160 2.260 1.00 0.00 C ATOM 1033 NZ LYS A 123 19.891 -7.988 1.699 1.00 0.00 N ATOM 0 H LYS A 123 16.384 -9.490 4.861 1.00 0.00 H new ATOM 0 HA LYS A 123 17.510 -8.332 7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 123 19.596 -9.485 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 123 18.180 -10.501 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 123 18.847 -10.798 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 123 18.247 -9.178 3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 123 20.592 -8.330 4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 123 21.115 -10.002 4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.667 -9.073 2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 123 20.251 -10.067 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 20.392 -7.651 0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 18.921 -8.261 1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 19.860 -7.228 2.408 1.00 0.00 H new ATOM 1047 N LEU A 124 18.975 -6.351 6.687 1.00 0.00 N ATOM 1048 CA LEU A 124 20.056 -5.349 6.591 1.00 0.00 C ATOM 1049 C LEU A 124 21.161 -5.710 7.598 1.00 0.00 C ATOM 1050 O LEU A 124 20.889 -5.823 8.795 1.00 0.00 O ATOM 1051 CB LEU A 124 19.543 -3.920 6.860 1.00 0.00 C ATOM 1052 CG LEU A 124 20.273 -2.810 6.068 1.00 0.00 C ATOM 1053 CD1 LEU A 124 19.884 -1.442 6.610 1.00 0.00 C ATOM 1054 CD2 LEU A 124 21.801 -2.861 6.106 1.00 0.00 C ATOM 0 H LEU A 124 18.610 -6.446 7.635 1.00 0.00 H new ATOM 0 HA LEU A 124 20.449 -5.365 5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 124 18.480 -3.879 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 124 19.638 -3.709 7.925 1.00 0.00 H new ATOM 0 HG LEU A 124 19.960 -2.980 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 124 20.403 -0.666 6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 124 18.807 -1.304 6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 124 20.163 -1.374 7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 124 22.207 -2.038 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 124 22.142 -2.774 7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 124 22.144 -3.808 5.689 1.00 0.00 H new ATOM 1066 N TYR A 125 22.399 -5.895 7.152 1.00 0.00 N ATOM 1067 CA TYR A 125 23.530 -6.329 7.991 1.00 0.00 C ATOM 1068 C TYR A 125 24.101 -5.243 8.940 1.00 0.00 C ATOM 1069 O TYR A 125 25.255 -5.315 9.346 1.00 0.00 O ATOM 1070 CB TYR A 125 24.602 -6.947 7.073 1.00 0.00 C ATOM 1071 CG TYR A 125 24.827 -6.184 5.780 1.00 0.00 C ATOM 1072 CD1 TYR A 125 25.415 -4.906 5.804 1.00 0.00 C ATOM 1073 CD2 TYR A 125 24.228 -6.655 4.596 1.00 0.00 C ATOM 1074 CE1 TYR A 125 25.345 -4.081 4.669 1.00 0.00 C ATOM 1075 CE2 TYR A 125 24.129 -5.812 3.478 1.00 0.00 C ATOM 1076 CZ TYR A 125 24.680 -4.525 3.517 1.00 0.00 C ATOM 1077 OH TYR A 125 24.522 -3.704 2.451 1.00 0.00 O ATOM 0 H TYR A 125 22.658 -5.746 6.177 1.00 0.00 H new ATOM 0 HA TYR A 125 23.156 -7.078 8.689 1.00 0.00 H new ATOM 0 HB2 TYR A 125 25.544 -7.002 7.618 1.00 0.00 H new ATOM 0 HB3 TYR A 125 24.313 -7.970 6.833 1.00 0.00 H new ATOM 0 HD1 TYR A 125 25.920 -4.560 6.694 1.00 0.00 H new ATOM 0 HD2 TYR A 125 23.845 -7.664 4.548 1.00 0.00 H new ATOM 0 HE1 TYR A 125 25.804 -3.103 4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 125 23.627 -6.157 2.586 1.00 0.00 H new ATOM 0 HH TYR A 125 25.121 -2.933 2.540 1.00 0.00 H new ATOM 1087 N ARG A 126 23.295 -4.249 9.330 1.00 0.00 N ATOM 1088 CA ARG A 126 23.653 -3.128 10.214 1.00 0.00 C ATOM 1089 C ARG A 126 24.717 -2.168 9.636 1.00 0.00 C ATOM 1090 O ARG A 126 24.458 -0.977 9.499 1.00 0.00 O ATOM 1091 CB ARG A 126 24.051 -3.598 11.626 1.00 0.00 C ATOM 1092 CG ARG A 126 23.044 -4.491 12.367 1.00 0.00 C ATOM 1093 CD ARG A 126 21.636 -3.887 12.483 1.00 0.00 C ATOM 1094 NE ARG A 126 20.792 -4.329 11.358 1.00 0.00 N ATOM 1095 CZ ARG A 126 19.479 -4.156 11.192 1.00 0.00 C ATOM 1096 NH1 ARG A 126 18.753 -3.337 11.927 1.00 0.00 N ATOM 1097 NH2 ARG A 126 18.868 -4.832 10.247 1.00 0.00 N ATOM 0 H ARG A 126 22.324 -4.200 9.023 1.00 0.00 H new ATOM 0 HA ARG A 126 22.734 -2.546 10.290 1.00 0.00 H new ATOM 0 HB2 ARG A 126 24.994 -4.139 11.551 1.00 0.00 H new ATOM 0 HB3 ARG A 126 24.238 -2.716 12.238 1.00 0.00 H new ATOM 0 HG2 ARG A 126 22.975 -5.449 11.851 1.00 0.00 H new ATOM 0 HG3 ARG A 126 23.424 -4.695 13.368 1.00 0.00 H new ATOM 0 HD2 ARG A 126 21.181 -4.188 13.427 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.700 -2.799 12.492 1.00 0.00 H new ATOM 0 HE ARG A 126 21.273 -4.831 10.611 1.00 0.00 H new ATOM 0 HH11 ARG A 126 19.192 -2.793 12.670 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.752 -3.247 11.753 1.00 0.00 H new ATOM 0 HH21 ARG A 126 19.396 -5.475 9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.865 -4.715 10.103 1.00 0.00 H new ATOM 1284 N LEU B 68 17.667 14.478 4.324 1.00 0.00 N ATOM 1285 CA LEU B 68 18.715 13.535 3.911 1.00 0.00 C ATOM 1286 C LEU B 68 20.129 14.157 3.935 1.00 0.00 C ATOM 1287 O LEU B 68 20.674 14.577 2.917 1.00 0.00 O ATOM 1288 CB LEU B 68 18.339 12.857 2.575 1.00 0.00 C ATOM 1289 CG LEU B 68 17.886 11.401 2.763 1.00 0.00 C ATOM 1290 CD1 LEU B 68 16.615 11.285 3.608 1.00 0.00 C ATOM 1291 CD2 LEU B 68 17.619 10.785 1.386 1.00 0.00 C ATOM 0 HA LEU B 68 18.769 12.741 4.656 1.00 0.00 H new ATOM 0 HB2 LEU B 68 17.541 13.424 2.095 1.00 0.00 H new ATOM 0 HB3 LEU B 68 19.197 12.884 1.903 1.00 0.00 H new ATOM 0 HG LEU B 68 18.682 10.874 3.289 1.00 0.00 H new ATOM 0 HD11 LEU B 68 16.340 10.235 3.709 1.00 0.00 H new ATOM 0 HD12 LEU B 68 16.795 11.710 4.596 1.00 0.00 H new ATOM 0 HD13 LEU B 68 15.804 11.827 3.122 1.00 0.00 H new ATOM 0 HD21 LEU B 68 17.297 9.751 1.506 1.00 0.00 H new ATOM 0 HD22 LEU B 68 16.838 11.352 0.879 1.00 0.00 H new ATOM 0 HD23 LEU B 68 18.532 10.813 0.791 1.00 0.00 H new ATOM 1303 N SER B 69 20.754 14.184 5.120 1.00 0.00 N ATOM 1304 CA SER B 69 22.181 14.482 5.286 1.00 0.00 C ATOM 1305 C SER B 69 23.011 13.212 5.567 1.00 0.00 C ATOM 1306 O SER B 69 22.497 12.100 5.535 1.00 0.00 O ATOM 1307 CB SER B 69 22.336 15.543 6.376 1.00 0.00 C ATOM 1308 OG SER B 69 23.679 15.997 6.472 1.00 0.00 O ATOM 0 H SER B 69 20.275 13.997 6.001 1.00 0.00 H new ATOM 0 HA SER B 69 22.579 14.879 4.352 1.00 0.00 H new ATOM 0 HB2 SER B 69 21.680 16.386 6.160 1.00 0.00 H new ATOM 0 HB3 SER B 69 22.021 15.131 7.334 1.00 0.00 H new ATOM 0 HG SER B 69 23.745 16.676 7.176 1.00 0.00 H new ATOM 1314 N ALA B 70 24.312 13.378 5.817 1.00 0.00 N ATOM 1315 CA ALA B 70 25.333 12.325 5.774 1.00 0.00 C ATOM 1316 C ALA B 70 24.899 10.948 6.324 1.00 0.00 C ATOM 1317 O ALA B 70 24.800 9.979 5.580 1.00 0.00 O ATOM 1318 CB ALA B 70 26.598 12.835 6.474 1.00 0.00 C ATOM 0 H ALA B 70 24.700 14.288 6.066 1.00 0.00 H new ATOM 0 HA ALA B 70 25.523 12.126 4.719 1.00 0.00 H new ATOM 0 HB1 ALA B 70 27.365 12.061 6.449 1.00 0.00 H new ATOM 0 HB2 ALA B 70 26.964 13.725 5.962 1.00 0.00 H new ATOM 0 HB3 ALA B 70 26.366 13.082 7.510 1.00 0.00 H new ATOM 1324 N CYS B 71 24.663 10.846 7.630 1.00 0.00 N ATOM 1325 CA CYS B 71 24.343 9.580 8.294 1.00 0.00 C ATOM 1326 C CYS B 71 23.049 8.943 7.759 1.00 0.00 C ATOM 1327 O CYS B 71 23.023 7.769 7.402 1.00 0.00 O ATOM 1328 CB CYS B 71 24.200 9.830 9.793 1.00 0.00 C ATOM 1329 SG CYS B 71 25.763 10.290 10.578 1.00 0.00 S ATOM 0 H CYS B 71 24.688 11.645 8.264 1.00 0.00 H new ATOM 0 HA CYS B 71 25.156 8.883 8.089 1.00 0.00 H new ATOM 0 HB2 CYS B 71 23.469 10.622 9.957 1.00 0.00 H new ATOM 0 HB3 CYS B 71 23.809 8.932 10.271 1.00 0.00 H new ATOM 0 HG CYS B 71 26.253 9.262 11.204 1.00 0.00 H new ATOM 1335 N GLU B 72 21.946 9.689 7.722 1.00 0.00 N ATOM 1336 CA GLU B 72 20.683 9.167 7.219 1.00 0.00 C ATOM 1337 C GLU B 72 20.767 8.751 5.734 1.00 0.00 C ATOM 1338 O GLU B 72 20.275 7.691 5.363 1.00 0.00 O ATOM 1339 CB GLU B 72 19.526 10.115 7.584 1.00 0.00 C ATOM 1340 CG GLU B 72 19.671 11.565 7.086 1.00 0.00 C ATOM 1341 CD GLU B 72 20.419 12.529 7.996 1.00 0.00 C ATOM 1342 OE1 GLU B 72 21.299 12.105 8.777 1.00 0.00 O ATOM 1343 OE2 GLU B 72 20.084 13.727 7.912 1.00 0.00 O ATOM 0 H GLU B 72 21.905 10.659 8.036 1.00 0.00 H new ATOM 0 HA GLU B 72 20.456 8.228 7.724 1.00 0.00 H new ATOM 0 HB2 GLU B 72 18.601 9.702 7.181 1.00 0.00 H new ATOM 0 HB3 GLU B 72 19.422 10.131 8.669 1.00 0.00 H new ATOM 0 HG2 GLU B 72 20.179 11.544 6.122 1.00 0.00 H new ATOM 0 HG3 GLU B 72 18.673 11.966 6.912 1.00 0.00 H new ATOM 1350 N VAL B 73 21.479 9.508 4.896 1.00 0.00 N ATOM 1351 CA VAL B 73 21.802 9.091 3.528 1.00 0.00 C ATOM 1352 C VAL B 73 22.618 7.785 3.519 1.00 0.00 C ATOM 1353 O VAL B 73 22.286 6.843 2.807 1.00 0.00 O ATOM 1354 CB VAL B 73 22.520 10.236 2.793 1.00 0.00 C ATOM 1355 CG1 VAL B 73 23.027 9.797 1.417 1.00 0.00 C ATOM 1356 CG2 VAL B 73 21.556 11.401 2.563 1.00 0.00 C ATOM 0 H VAL B 73 21.848 10.426 5.145 1.00 0.00 H new ATOM 0 HA VAL B 73 20.877 8.876 2.993 1.00 0.00 H new ATOM 0 HB VAL B 73 23.361 10.532 3.421 1.00 0.00 H new ATOM 0 HG11 VAL B 73 23.528 10.634 0.930 1.00 0.00 H new ATOM 0 HG12 VAL B 73 23.729 8.972 1.534 1.00 0.00 H new ATOM 0 HG13 VAL B 73 22.185 9.473 0.806 1.00 0.00 H new ATOM 0 HG21 VAL B 73 22.075 12.205 2.042 1.00 0.00 H new ATOM 0 HG22 VAL B 73 20.714 11.063 1.960 1.00 0.00 H new ATOM 0 HG23 VAL B 73 21.191 11.766 3.523 1.00 0.00 H new ATOM 1366 N ALA B 74 23.655 7.706 4.354 1.00 0.00 N ATOM 1367 CA ALA B 74 24.463 6.496 4.525 1.00 0.00 C ATOM 1368 C ALA B 74 23.595 5.281 4.894 1.00 0.00 C ATOM 1369 O ALA B 74 23.848 4.149 4.490 1.00 0.00 O ATOM 1370 CB ALA B 74 25.543 6.763 5.584 1.00 0.00 C ATOM 0 H ALA B 74 23.961 8.486 4.936 1.00 0.00 H new ATOM 0 HA ALA B 74 24.944 6.251 3.578 1.00 0.00 H new ATOM 0 HB1 ALA B 74 26.150 5.868 5.718 1.00 0.00 H new ATOM 0 HB2 ALA B 74 26.178 7.586 5.257 1.00 0.00 H new ATOM 0 HB3 ALA B 74 25.068 7.025 6.530 1.00 0.00 H new ATOM 1376 N VAL B 75 22.543 5.521 5.676 1.00 0.00 N ATOM 1377 CA VAL B 75 21.609 4.478 6.086 1.00 0.00 C ATOM 1378 C VAL B 75 20.613 4.096 4.971 1.00 0.00 C ATOM 1379 O VAL B 75 20.331 2.916 4.766 1.00 0.00 O ATOM 1380 CB VAL B 75 20.992 4.839 7.439 1.00 0.00 C ATOM 1381 CG1 VAL B 75 19.830 3.914 7.790 1.00 0.00 C ATOM 1382 CG2 VAL B 75 22.095 4.680 8.487 1.00 0.00 C ATOM 0 H VAL B 75 22.316 6.445 6.042 1.00 0.00 H new ATOM 0 HA VAL B 75 22.151 3.545 6.244 1.00 0.00 H new ATOM 0 HB VAL B 75 20.602 5.856 7.406 1.00 0.00 H new ATOM 0 HG11 VAL B 75 19.417 4.200 8.757 1.00 0.00 H new ATOM 0 HG12 VAL B 75 19.057 3.995 7.026 1.00 0.00 H new ATOM 0 HG13 VAL B 75 20.186 2.885 7.838 1.00 0.00 H new ATOM 0 HG21 VAL B 75 21.699 4.928 9.472 1.00 0.00 H new ATOM 0 HG22 VAL B 75 22.451 3.650 8.488 1.00 0.00 H new ATOM 0 HG23 VAL B 75 22.922 5.349 8.249 1.00 0.00 H new ATOM 1392 N LEU B 76 20.115 5.069 4.206 1.00 0.00 N ATOM 1393 CA LEU B 76 19.447 4.801 2.931 1.00 0.00 C ATOM 1394 C LEU B 76 20.263 3.924 1.976 1.00 0.00 C ATOM 1395 O LEU B 76 19.732 3.018 1.341 1.00 0.00 O ATOM 1396 CB LEU B 76 19.082 6.135 2.284 1.00 0.00 C ATOM 1397 CG LEU B 76 17.672 6.602 2.651 1.00 0.00 C ATOM 1398 CD1 LEU B 76 16.650 5.889 1.757 1.00 0.00 C ATOM 1399 CD2 LEU B 76 17.276 6.467 4.128 1.00 0.00 C ATOM 0 H LEU B 76 20.163 6.058 4.450 1.00 0.00 H new ATOM 0 HA LEU B 76 18.549 4.221 3.142 1.00 0.00 H new ATOM 0 HB2 LEU B 76 19.803 6.893 2.591 1.00 0.00 H new ATOM 0 HB3 LEU B 76 19.159 6.042 1.201 1.00 0.00 H new ATOM 0 HG LEU B 76 17.675 7.678 2.476 1.00 0.00 H new ATOM 0 HD11 LEU B 76 15.645 6.221 2.017 1.00 0.00 H new ATOM 0 HD12 LEU B 76 16.852 6.127 0.713 1.00 0.00 H new ATOM 0 HD13 LEU B 76 16.726 4.812 1.905 1.00 0.00 H new ATOM 0 HD21 LEU B 76 16.257 6.829 4.266 1.00 0.00 H new ATOM 0 HD22 LEU B 76 17.332 5.420 4.426 1.00 0.00 H new ATOM 0 HD23 LEU B 76 17.957 7.056 4.743 1.00 0.00 H new ATOM 1411 N ASP B 77 21.563 4.169 1.900 1.00 0.00 N ATOM 1412 CA ASP B 77 22.441 3.355 1.075 1.00 0.00 C ATOM 1413 C ASP B 77 22.547 1.941 1.671 1.00 0.00 C ATOM 1414 O ASP B 77 22.279 0.952 0.999 1.00 0.00 O ATOM 1415 CB ASP B 77 23.782 4.084 0.919 1.00 0.00 C ATOM 1416 CG ASP B 77 24.721 3.345 -0.014 1.00 0.00 C ATOM 1417 OD1 ASP B 77 24.250 2.935 -1.095 1.00 0.00 O ATOM 1418 OD2 ASP B 77 25.890 3.159 0.383 1.00 0.00 O ATOM 0 H ASP B 77 22.032 4.925 2.400 1.00 0.00 H new ATOM 0 HA ASP B 77 22.042 3.219 0.070 1.00 0.00 H new ATOM 0 HB2 ASP B 77 23.606 5.089 0.536 1.00 0.00 H new ATOM 0 HB3 ASP B 77 24.252 4.193 1.896 1.00 0.00 H new ATOM 1423 N LEU B 78 22.796 1.811 2.978 1.00 0.00 N ATOM 1424 CA LEU B 78 22.705 0.533 3.681 1.00 0.00 C ATOM 1425 C LEU B 78 21.410 -0.242 3.356 1.00 0.00 C ATOM 1426 O LEU B 78 21.453 -1.462 3.168 1.00 0.00 O ATOM 1427 CB LEU B 78 22.896 0.772 5.187 1.00 0.00 C ATOM 1428 CG LEU B 78 24.373 0.909 5.586 1.00 0.00 C ATOM 1429 CD1 LEU B 78 24.497 1.543 6.976 1.00 0.00 C ATOM 1430 CD2 LEU B 78 25.075 -0.452 5.608 1.00 0.00 C ATOM 0 H LEU B 78 23.066 2.591 3.577 1.00 0.00 H new ATOM 0 HA LEU B 78 23.506 -0.116 3.327 1.00 0.00 H new ATOM 0 HB2 LEU B 78 22.361 1.676 5.477 1.00 0.00 H new ATOM 0 HB3 LEU B 78 22.450 -0.054 5.741 1.00 0.00 H new ATOM 0 HG LEU B 78 24.849 1.545 4.840 1.00 0.00 H new ATOM 0 HD11 LEU B 78 25.550 1.632 7.242 1.00 0.00 H new ATOM 0 HD12 LEU B 78 24.040 2.532 6.967 1.00 0.00 H new ATOM 0 HD13 LEU B 78 23.989 0.916 7.709 1.00 0.00 H new ATOM 0 HD21 LEU B 78 26.118 -0.319 5.894 1.00 0.00 H new ATOM 0 HD22 LEU B 78 24.582 -1.104 6.329 1.00 0.00 H new ATOM 0 HD23 LEU B 78 25.025 -0.903 4.617 1.00 0.00 H new ATOM 1442 N TYR B 79 20.254 0.421 3.249 1.00 0.00 N ATOM 1443 CA TYR B 79 19.058 -0.226 2.719 1.00 0.00 C ATOM 1444 C TYR B 79 19.247 -0.799 1.306 1.00 0.00 C ATOM 1445 O TYR B 79 19.107 -2.012 1.137 1.00 0.00 O ATOM 1446 CB TYR B 79 17.838 0.702 2.789 1.00 0.00 C ATOM 1447 CG TYR B 79 17.320 0.960 4.183 1.00 0.00 C ATOM 1448 CD1 TYR B 79 17.046 -0.103 5.058 1.00 0.00 C ATOM 1449 CD2 TYR B 79 17.169 2.275 4.641 1.00 0.00 C ATOM 1450 CE1 TYR B 79 16.913 0.153 6.429 1.00 0.00 C ATOM 1451 CE2 TYR B 79 17.116 2.524 6.016 1.00 0.00 C ATOM 1452 CZ TYR B 79 17.160 1.446 6.903 1.00 0.00 C ATOM 1453 OH TYR B 79 17.335 1.624 8.235 1.00 0.00 O ATOM 0 H TYR B 79 20.125 1.396 3.520 1.00 0.00 H new ATOM 0 HA TYR B 79 18.871 -1.082 3.367 1.00 0.00 H new ATOM 0 HB2 TYR B 79 18.098 1.656 2.330 1.00 0.00 H new ATOM 0 HB3 TYR B 79 17.035 0.270 2.192 1.00 0.00 H new ATOM 0 HD1 TYR B 79 16.939 -1.108 4.678 1.00 0.00 H new ATOM 0 HD2 TYR B 79 17.094 3.091 3.937 1.00 0.00 H new ATOM 0 HE1 TYR B 79 16.624 -0.635 7.109 1.00 0.00 H new ATOM 0 HE2 TYR B 79 17.042 3.536 6.387 1.00 0.00 H new ATOM 0 HH TYR B 79 17.499 2.572 8.420 1.00 0.00 H new ATOM 1463 N GLU B 80 19.537 0.012 0.292 1.00 0.00 N ATOM 1464 CA GLU B 80 19.484 -0.449 -1.099 1.00 0.00 C ATOM 1465 C GLU B 80 20.746 -1.208 -1.562 1.00 0.00 C ATOM 1466 O GLU B 80 20.635 -2.159 -2.334 1.00 0.00 O ATOM 1467 CB GLU B 80 19.035 0.698 -2.013 1.00 0.00 C ATOM 1468 CG GLU B 80 17.588 1.154 -1.696 1.00 0.00 C ATOM 1469 CD GLU B 80 16.448 0.279 -2.243 1.00 0.00 C ATOM 1470 OE1 GLU B 80 16.587 -0.967 -2.244 1.00 0.00 O ATOM 1471 OE2 GLU B 80 15.420 0.874 -2.639 1.00 0.00 O ATOM 0 H GLU B 80 19.810 0.988 0.403 1.00 0.00 H new ATOM 0 HA GLU B 80 18.721 -1.225 -1.171 1.00 0.00 H new ATOM 0 HB2 GLU B 80 19.715 1.542 -1.898 1.00 0.00 H new ATOM 0 HB3 GLU B 80 19.096 0.379 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU B 80 17.480 1.213 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU B 80 17.457 2.164 -2.085 1.00 0.00 H new ATOM 1478 N GLN B 81 21.926 -0.908 -0.998 1.00 0.00 N ATOM 1479 CA GLN B 81 23.063 -1.843 -0.963 1.00 0.00 C ATOM 1480 C GLN B 81 22.566 -3.251 -0.608 1.00 0.00 C ATOM 1481 O GLN B 81 22.817 -4.242 -1.294 1.00 0.00 O ATOM 1482 CB GLN B 81 24.049 -1.510 0.170 1.00 0.00 C ATOM 1483 CG GLN B 81 25.022 -0.335 0.067 1.00 0.00 C ATOM 1484 CD GLN B 81 25.852 -0.271 1.352 1.00 0.00 C ATOM 1485 OE1 GLN B 81 25.926 -1.239 2.112 1.00 0.00 O ATOM 1486 NE2 GLN B 81 26.486 0.842 1.648 1.00 0.00 N ATOM 0 H GLN B 81 22.120 -0.011 -0.553 1.00 0.00 H new ATOM 0 HA GLN B 81 23.535 -1.775 -1.943 1.00 0.00 H new ATOM 0 HB2 GLN B 81 23.455 -1.350 1.070 1.00 0.00 H new ATOM 0 HB3 GLN B 81 24.649 -2.404 0.339 1.00 0.00 H new ATOM 0 HG2 GLN B 81 25.674 -0.459 -0.798 1.00 0.00 H new ATOM 0 HG3 GLN B 81 24.475 0.597 -0.077 1.00 0.00 H new ATOM 0 HE21 GLN B 81 26.427 1.645 1.021 1.00 0.00 H new ATOM 0 HE22 GLN B 81 27.037 0.903 2.504 1.00 0.00 H new ATOM 1495 N SER B 82 21.869 -3.335 0.528 1.00 0.00 N ATOM 1496 CA SER B 82 21.344 -4.590 1.021 1.00 0.00 C ATOM 1497 C SER B 82 20.294 -5.159 0.054 1.00 0.00 C ATOM 1498 O SER B 82 20.345 -6.352 -0.251 1.00 0.00 O ATOM 1499 CB SER B 82 20.829 -4.423 2.450 1.00 0.00 C ATOM 1500 OG SER B 82 20.545 -5.698 2.996 1.00 0.00 O ATOM 0 H SER B 82 21.659 -2.533 1.122 1.00 0.00 H new ATOM 0 HA SER B 82 22.145 -5.328 1.063 1.00 0.00 H new ATOM 0 HB2 SER B 82 21.573 -3.911 3.060 1.00 0.00 H new ATOM 0 HB3 SER B 82 19.932 -3.804 2.456 1.00 0.00 H new ATOM 0 HG SER B 82 19.735 -5.646 3.545 1.00 0.00 H new ATOM 1506 N ASN B 83 19.354 -4.308 -0.373 1.00 0.00 N ATOM 1507 CA ASN B 83 18.265 -4.464 -1.350 1.00 0.00 C ATOM 1508 C ASN B 83 16.867 -4.141 -0.781 1.00 0.00 C ATOM 1509 O ASN B 83 15.902 -4.828 -1.124 1.00 0.00 O ATOM 1510 CB ASN B 83 18.293 -5.814 -2.099 1.00 0.00 C ATOM 1511 CG ASN B 83 17.786 -7.033 -1.317 1.00 0.00 C ATOM 1512 OD1 ASN B 83 17.733 -7.098 -0.088 1.00 0.00 O ATOM 1513 ND2 ASN B 83 17.389 -8.072 -2.034 1.00 0.00 N ATOM 0 H ASN B 83 19.336 -3.363 0.011 1.00 0.00 H new ATOM 0 HA ASN B 83 18.467 -3.699 -2.100 1.00 0.00 H new ATOM 0 HB2 ASN B 83 17.695 -5.716 -3.005 1.00 0.00 H new ATOM 0 HB3 ASN B 83 19.318 -6.010 -2.413 1.00 0.00 H new ATOM 0 HD21 ASN B 83 17.045 -8.912 -1.568 1.00 0.00 H new ATOM 0 HD22 ASN B 83 17.427 -8.033 -3.053 1.00 0.00 H new ATOM 1520 N ILE B 84 16.754 -3.167 0.125 1.00 0.00 N ATOM 1521 CA ILE B 84 15.536 -2.824 0.871 1.00 0.00 C ATOM 1522 C ILE B 84 14.853 -1.539 0.387 1.00 0.00 C ATOM 1523 O ILE B 84 15.313 -0.438 0.672 1.00 0.00 O ATOM 1524 CB ILE B 84 15.867 -2.677 2.366 1.00 0.00 C ATOM 1525 CG1 ILE B 84 16.365 -4.012 2.930 1.00 0.00 C ATOM 1526 CG2 ILE B 84 14.635 -2.187 3.156 1.00 0.00 C ATOM 1527 CD1 ILE B 84 16.987 -3.858 4.313 1.00 0.00 C ATOM 0 H ILE B 84 17.542 -2.568 0.371 1.00 0.00 H new ATOM 0 HA ILE B 84 14.836 -3.642 0.698 1.00 0.00 H new ATOM 0 HB ILE B 84 16.656 -1.933 2.471 1.00 0.00 H new ATOM 0 HG12 ILE B 84 15.533 -4.714 2.984 1.00 0.00 H new ATOM 0 HG13 ILE B 84 17.100 -4.440 2.249 1.00 0.00 H new ATOM 0 HG21 ILE B 84 14.894 -2.091 4.210 1.00 0.00 H new ATOM 0 HG22 ILE B 84 14.317 -1.218 2.770 1.00 0.00 H new ATOM 0 HG23 ILE B 84 13.823 -2.906 3.046 1.00 0.00 H new ATOM 0 HD11 ILE B 84 17.325 -4.831 4.670 1.00 0.00 H new ATOM 0 HD12 ILE B 84 17.836 -3.177 4.256 1.00 0.00 H new ATOM 0 HD13 ILE B 84 16.245 -3.456 5.003 1.00 0.00 H new ATOM 1539 N ARG B 85 13.634 -1.664 -0.137 1.00 0.00 N ATOM 1540 CA ARG B 85 12.811 -0.496 -0.400 1.00 0.00 C ATOM 1541 C ARG B 85 12.206 0.069 0.906 1.00 0.00 C ATOM 1542 O ARG B 85 11.673 -0.675 1.735 1.00 0.00 O ATOM 1543 CB ARG B 85 11.741 -0.868 -1.433 1.00 0.00 C ATOM 1544 CG ARG B 85 11.326 0.383 -2.205 1.00 0.00 C ATOM 1545 CD ARG B 85 10.165 0.062 -3.145 1.00 0.00 C ATOM 1546 NE ARG B 85 9.746 1.303 -3.818 1.00 0.00 N ATOM 1547 CZ ARG B 85 8.553 1.594 -4.335 1.00 0.00 C ATOM 1548 NH1 ARG B 85 7.580 0.704 -4.340 1.00 0.00 N ATOM 1549 NH2 ARG B 85 8.339 2.797 -4.827 1.00 0.00 N ATOM 0 H ARG B 85 13.203 -2.555 -0.384 1.00 0.00 H new ATOM 0 HA ARG B 85 13.425 0.304 -0.813 1.00 0.00 H new ATOM 0 HB2 ARG B 85 12.128 -1.621 -2.120 1.00 0.00 H new ATOM 0 HB3 ARG B 85 10.876 -1.306 -0.935 1.00 0.00 H new ATOM 0 HG2 ARG B 85 11.033 1.169 -1.508 1.00 0.00 H new ATOM 0 HG3 ARG B 85 12.172 0.764 -2.777 1.00 0.00 H new ATOM 0 HD2 ARG B 85 10.469 -0.683 -3.881 1.00 0.00 H new ATOM 0 HD3 ARG B 85 9.332 -0.364 -2.585 1.00 0.00 H new ATOM 0 HE ARG B 85 10.457 2.030 -3.898 1.00 0.00 H new ATOM 0 HH11 ARG B 85 7.735 -0.223 -3.944 1.00 0.00 H new ATOM 0 HH12 ARG B 85 6.672 0.943 -4.740 1.00 0.00 H new ATOM 0 HH21 ARG B 85 9.083 3.495 -4.810 1.00 0.00 H new ATOM 0 HH22 ARG B 85 7.430 3.031 -5.225 1.00 0.00 H new ATOM 1563 N ILE B 86 12.274 1.388 1.102 1.00 0.00 N ATOM 1564 CA ILE B 86 11.703 2.107 2.252 1.00 0.00 C ATOM 1565 C ILE B 86 10.400 2.839 1.864 1.00 0.00 C ATOM 1566 O ILE B 86 10.360 3.500 0.827 1.00 0.00 O ATOM 1567 CB ILE B 86 12.753 3.085 2.808 1.00 0.00 C ATOM 1568 CG1 ILE B 86 13.904 2.366 3.536 1.00 0.00 C ATOM 1569 CG2 ILE B 86 12.125 4.116 3.749 1.00 0.00 C ATOM 1570 CD1 ILE B 86 13.578 1.911 4.969 1.00 0.00 C ATOM 0 H ILE B 86 12.744 2.010 0.444 1.00 0.00 H new ATOM 0 HA ILE B 86 11.441 1.389 3.029 1.00 0.00 H new ATOM 0 HB ILE B 86 13.166 3.598 1.939 1.00 0.00 H new ATOM 0 HG12 ILE B 86 14.197 1.494 2.951 1.00 0.00 H new ATOM 0 HG13 ILE B 86 14.766 3.032 3.569 1.00 0.00 H new ATOM 0 HG21 ILE B 86 12.898 4.788 4.121 1.00 0.00 H new ATOM 0 HG22 ILE B 86 11.373 4.691 3.209 1.00 0.00 H new ATOM 0 HG23 ILE B 86 11.656 3.604 4.589 1.00 0.00 H new ATOM 0 HD11 ILE B 86 14.448 1.415 5.400 1.00 0.00 H new ATOM 0 HD12 ILE B 86 13.317 2.778 5.576 1.00 0.00 H new ATOM 0 HD13 ILE B 86 12.738 1.217 4.948 1.00 0.00 H new ATOM 1582 N PRO B 87 9.325 2.754 2.672 1.00 0.00 N ATOM 1583 CA PRO B 87 8.141 3.581 2.481 1.00 0.00 C ATOM 1584 C PRO B 87 8.392 4.999 3.033 1.00 0.00 C ATOM 1585 O PRO B 87 8.281 5.222 4.234 1.00 0.00 O ATOM 1586 CB PRO B 87 7.028 2.839 3.231 1.00 0.00 C ATOM 1587 CG PRO B 87 7.767 2.158 4.385 1.00 0.00 C ATOM 1588 CD PRO B 87 9.150 1.855 3.806 1.00 0.00 C ATOM 0 HA PRO B 87 7.874 3.722 1.434 1.00 0.00 H new ATOM 0 HB2 PRO B 87 6.262 3.525 3.594 1.00 0.00 H new ATOM 0 HB3 PRO B 87 6.528 2.113 2.591 1.00 0.00 H new ATOM 0 HG2 PRO B 87 7.832 2.809 5.257 1.00 0.00 H new ATOM 0 HG3 PRO B 87 7.259 1.248 4.704 1.00 0.00 H new ATOM 0 HD2 PRO B 87 9.928 2.015 4.553 1.00 0.00 H new ATOM 0 HD3 PRO B 87 9.220 0.814 3.491 1.00 0.00 H new ATOM 1596 N SER B 88 8.738 5.947 2.156 1.00 0.00 N ATOM 1597 CA SER B 88 9.142 7.339 2.412 1.00 0.00 C ATOM 1598 C SER B 88 8.620 8.021 3.685 1.00 0.00 C ATOM 1599 O SER B 88 9.378 8.724 4.339 1.00 0.00 O ATOM 1600 CB SER B 88 8.796 8.182 1.180 1.00 0.00 C ATOM 1601 OG SER B 88 9.168 7.473 0.006 1.00 0.00 O ATOM 0 H SER B 88 8.744 5.744 1.156 1.00 0.00 H new ATOM 0 HA SER B 88 10.214 7.277 2.602 1.00 0.00 H new ATOM 0 HB2 SER B 88 7.728 8.401 1.163 1.00 0.00 H new ATOM 0 HB3 SER B 88 9.317 9.138 1.222 1.00 0.00 H new ATOM 0 HG SER B 88 8.946 8.009 -0.784 1.00 0.00 H new ATOM 1607 N ASP B 89 7.352 7.829 4.046 1.00 0.00 N ATOM 1608 CA ASP B 89 6.771 8.214 5.334 1.00 0.00 C ATOM 1609 C ASP B 89 7.768 8.139 6.519 1.00 0.00 C ATOM 1610 O ASP B 89 8.052 9.142 7.175 1.00 0.00 O ATOM 1611 CB ASP B 89 5.537 7.310 5.492 1.00 0.00 C ATOM 1612 CG ASP B 89 4.965 7.271 6.890 1.00 0.00 C ATOM 1613 OD1 ASP B 89 5.476 6.456 7.682 1.00 0.00 O ATOM 1614 OD2 ASP B 89 3.903 7.884 7.122 1.00 0.00 O ATOM 0 H ASP B 89 6.674 7.384 3.427 1.00 0.00 H new ATOM 0 HA ASP B 89 6.493 9.268 5.349 1.00 0.00 H new ATOM 0 HB2 ASP B 89 4.762 7.651 4.805 1.00 0.00 H new ATOM 0 HB3 ASP B 89 5.804 6.296 5.194 1.00 0.00 H new ATOM 1619 N ILE B 90 8.394 6.979 6.731 1.00 0.00 N ATOM 1620 CA ILE B 90 9.383 6.837 7.807 1.00 0.00 C ATOM 1621 C ILE B 90 10.627 7.706 7.600 1.00 0.00 C ATOM 1622 O ILE B 90 11.170 8.249 8.553 1.00 0.00 O ATOM 1623 CB ILE B 90 9.718 5.364 8.102 1.00 0.00 C ATOM 1624 CG1 ILE B 90 10.311 4.562 6.931 1.00 0.00 C ATOM 1625 CG2 ILE B 90 8.421 4.726 8.596 1.00 0.00 C ATOM 1626 CD1 ILE B 90 10.575 3.104 7.329 1.00 0.00 C ATOM 0 H ILE B 90 8.238 6.134 6.181 1.00 0.00 H new ATOM 0 HA ILE B 90 8.908 7.227 8.707 1.00 0.00 H new ATOM 0 HB ILE B 90 10.518 5.343 8.842 1.00 0.00 H new ATOM 0 HG12 ILE B 90 9.626 4.591 6.084 1.00 0.00 H new ATOM 0 HG13 ILE B 90 11.242 5.026 6.604 1.00 0.00 H new ATOM 0 HG21 ILE B 90 8.596 3.674 8.823 1.00 0.00 H new ATOM 0 HG22 ILE B 90 8.082 5.240 9.496 1.00 0.00 H new ATOM 0 HG23 ILE B 90 7.658 4.808 7.822 1.00 0.00 H new ATOM 0 HD11 ILE B 90 10.994 2.565 6.479 1.00 0.00 H new ATOM 0 HD12 ILE B 90 11.280 3.076 8.160 1.00 0.00 H new ATOM 0 HD13 ILE B 90 9.639 2.634 7.631 1.00 0.00 H new ATOM 1638 N ILE B 91 11.076 7.879 6.356 1.00 0.00 N ATOM 1639 CA ILE B 91 12.162 8.812 6.060 1.00 0.00 C ATOM 1640 C ILE B 91 11.762 10.236 6.462 1.00 0.00 C ATOM 1641 O ILE B 91 12.543 10.941 7.104 1.00 0.00 O ATOM 1642 CB ILE B 91 12.538 8.772 4.563 1.00 0.00 C ATOM 1643 CG1 ILE B 91 12.810 7.339 4.089 1.00 0.00 C ATOM 1644 CG2 ILE B 91 13.758 9.661 4.304 1.00 0.00 C ATOM 1645 CD1 ILE B 91 13.136 7.249 2.593 1.00 0.00 C ATOM 0 H ILE B 91 10.706 7.388 5.542 1.00 0.00 H new ATOM 0 HA ILE B 91 13.034 8.508 6.639 1.00 0.00 H new ATOM 0 HB ILE B 91 11.691 9.153 3.993 1.00 0.00 H new ATOM 0 HG12 ILE B 91 13.641 6.926 4.661 1.00 0.00 H new ATOM 0 HG13 ILE B 91 11.938 6.721 4.302 1.00 0.00 H new ATOM 0 HG21 ILE B 91 14.015 9.626 3.245 1.00 0.00 H new ATOM 0 HG22 ILE B 91 13.527 10.688 4.588 1.00 0.00 H new ATOM 0 HG23 ILE B 91 14.601 9.303 4.894 1.00 0.00 H new ATOM 0 HD11 ILE B 91 13.318 6.209 2.322 1.00 0.00 H new ATOM 0 HD12 ILE B 91 12.296 7.633 2.014 1.00 0.00 H new ATOM 0 HD13 ILE B 91 14.026 7.841 2.378 1.00 0.00 H new ATOM 1657 N GLU B 92 10.556 10.660 6.077 1.00 0.00 N ATOM 1658 CA GLU B 92 10.073 12.003 6.355 1.00 0.00 C ATOM 1659 C GLU B 92 10.081 12.290 7.862 1.00 0.00 C ATOM 1660 O GLU B 92 10.814 13.160 8.338 1.00 0.00 O ATOM 1661 CB GLU B 92 8.689 12.178 5.710 1.00 0.00 C ATOM 1662 CG GLU B 92 8.153 13.616 5.863 1.00 0.00 C ATOM 1663 CD GLU B 92 9.128 14.719 5.471 1.00 0.00 C ATOM 1664 OE1 GLU B 92 9.799 14.560 4.427 1.00 0.00 O ATOM 1665 OE2 GLU B 92 9.181 15.705 6.236 1.00 0.00 O ATOM 0 H GLU B 92 9.892 10.079 5.565 1.00 0.00 H new ATOM 0 HA GLU B 92 10.742 12.742 5.914 1.00 0.00 H new ATOM 0 HB2 GLU B 92 8.749 11.925 4.651 1.00 0.00 H new ATOM 0 HB3 GLU B 92 7.987 11.480 6.166 1.00 0.00 H new ATOM 0 HG2 GLU B 92 7.253 13.717 5.257 1.00 0.00 H new ATOM 0 HG3 GLU B 92 7.857 13.767 6.901 1.00 0.00 H new ATOM 1672 N ASP B 93 9.334 11.518 8.653 1.00 0.00 N ATOM 1673 CA ASP B 93 9.310 11.725 10.095 1.00 0.00 C ATOM 1674 C ASP B 93 10.731 11.628 10.683 1.00 0.00 C ATOM 1675 O ASP B 93 11.158 12.475 11.465 1.00 0.00 O ATOM 1676 CB ASP B 93 8.358 10.711 10.742 1.00 0.00 C ATOM 1677 CG ASP B 93 8.640 10.608 12.226 1.00 0.00 C ATOM 1678 OD1 ASP B 93 8.212 11.504 12.977 1.00 0.00 O ATOM 1679 OD2 ASP B 93 9.368 9.660 12.586 1.00 0.00 O ATOM 0 H ASP B 93 8.746 10.754 8.321 1.00 0.00 H new ATOM 0 HA ASP B 93 8.942 12.728 10.311 1.00 0.00 H new ATOM 0 HB2 ASP B 93 7.324 11.016 10.580 1.00 0.00 H new ATOM 0 HB3 ASP B 93 8.479 9.735 10.272 1.00 0.00 H new ATOM 1684 N LEU B 94 11.504 10.628 10.261 1.00 0.00 N ATOM 1685 CA LEU B 94 12.883 10.480 10.724 1.00 0.00 C ATOM 1686 C LEU B 94 13.718 11.752 10.482 1.00 0.00 C ATOM 1687 O LEU B 94 14.430 12.209 11.374 1.00 0.00 O ATOM 1688 CB LEU B 94 13.494 9.218 10.108 1.00 0.00 C ATOM 1689 CG LEU B 94 14.875 8.798 10.637 1.00 0.00 C ATOM 1690 CD1 LEU B 94 15.955 9.327 9.703 1.00 0.00 C ATOM 1691 CD2 LEU B 94 15.222 9.181 12.082 1.00 0.00 C ATOM 0 H LEU B 94 11.200 9.911 9.602 1.00 0.00 H new ATOM 0 HA LEU B 94 12.886 10.353 11.807 1.00 0.00 H new ATOM 0 HB2 LEU B 94 12.802 8.391 10.266 1.00 0.00 H new ATOM 0 HB3 LEU B 94 13.572 9.367 9.031 1.00 0.00 H new ATOM 0 HG LEU B 94 14.829 7.709 10.657 1.00 0.00 H new ATOM 0 HD11 LEU B 94 16.935 9.031 10.076 1.00 0.00 H new ATOM 0 HD12 LEU B 94 15.807 8.915 8.705 1.00 0.00 H new ATOM 0 HD13 LEU B 94 15.897 10.415 9.659 1.00 0.00 H new ATOM 0 HD21 LEU B 94 16.223 8.823 12.323 1.00 0.00 H new ATOM 0 HD22 LEU B 94 15.188 10.265 12.189 1.00 0.00 H new ATOM 0 HD23 LEU B 94 14.501 8.727 12.762 1.00 0.00 H new ATOM 1703 N VAL B 95 13.607 12.378 9.311 1.00 0.00 N ATOM 1704 CA VAL B 95 14.134 13.726 9.079 1.00 0.00 C ATOM 1705 C VAL B 95 13.564 14.776 10.056 1.00 0.00 C ATOM 1706 O VAL B 95 14.334 15.546 10.638 1.00 0.00 O ATOM 1707 CB VAL B 95 13.967 14.117 7.600 1.00 0.00 C ATOM 1708 CG1 VAL B 95 14.251 15.607 7.370 1.00 0.00 C ATOM 1709 CG2 VAL B 95 14.930 13.288 6.741 1.00 0.00 C ATOM 0 H VAL B 95 13.150 11.967 8.497 1.00 0.00 H new ATOM 0 HA VAL B 95 15.202 13.707 9.296 1.00 0.00 H new ATOM 0 HB VAL B 95 12.933 13.919 7.318 1.00 0.00 H new ATOM 0 HG11 VAL B 95 14.122 15.843 6.314 1.00 0.00 H new ATOM 0 HG12 VAL B 95 13.559 16.205 7.962 1.00 0.00 H new ATOM 0 HG13 VAL B 95 15.274 15.833 7.670 1.00 0.00 H new ATOM 0 HG21 VAL B 95 14.813 13.564 5.693 1.00 0.00 H new ATOM 0 HG22 VAL B 95 15.956 13.482 7.054 1.00 0.00 H new ATOM 0 HG23 VAL B 95 14.707 12.228 6.864 1.00 0.00 H new ATOM 1719 N ASN B 96 12.246 14.823 10.268 1.00 0.00 N ATOM 1720 CA ASN B 96 11.628 15.733 11.245 1.00 0.00 C ATOM 1721 C ASN B 96 12.208 15.576 12.662 1.00 0.00 C ATOM 1722 O ASN B 96 12.595 16.562 13.286 1.00 0.00 O ATOM 1723 CB ASN B 96 10.097 15.605 11.264 1.00 0.00 C ATOM 1724 CG ASN B 96 9.463 16.170 10.001 1.00 0.00 C ATOM 1725 OD1 ASN B 96 9.139 17.350 9.944 1.00 0.00 O ATOM 1726 ND2 ASN B 96 9.297 15.340 8.994 1.00 0.00 N ATOM 0 H ASN B 96 11.577 14.235 9.771 1.00 0.00 H new ATOM 0 HA ASN B 96 11.878 16.739 10.908 1.00 0.00 H new ATOM 0 HB2 ASN B 96 9.822 14.556 11.370 1.00 0.00 H new ATOM 0 HB3 ASN B 96 9.700 16.128 12.134 1.00 0.00 H new ATOM 0 HD21 ASN B 96 8.884 15.672 8.122 1.00 0.00 H new ATOM 0 HD22 ASN B 96 9.581 14.365 9.085 1.00 0.00 H new ATOM 1733 N GLN B 97 12.323 14.357 13.191 1.00 0.00 N ATOM 1734 CA GLN B 97 12.945 14.122 14.495 1.00 0.00 C ATOM 1735 C GLN B 97 14.461 14.399 14.459 1.00 0.00 C ATOM 1736 O GLN B 97 14.974 15.253 15.184 1.00 0.00 O ATOM 1737 CB GLN B 97 12.637 12.699 14.993 1.00 0.00 C ATOM 1738 CG GLN B 97 11.157 12.281 14.914 1.00 0.00 C ATOM 1739 CD GLN B 97 10.162 13.309 15.436 1.00 0.00 C ATOM 1740 OE1 GLN B 97 10.445 14.066 16.359 1.00 0.00 O ATOM 1741 NE2 GLN B 97 8.973 13.357 14.869 1.00 0.00 N ATOM 0 H GLN B 97 11.990 13.510 12.731 1.00 0.00 H new ATOM 0 HA GLN B 97 12.513 14.826 15.206 1.00 0.00 H new ATOM 0 HB2 GLN B 97 13.229 11.992 14.412 1.00 0.00 H new ATOM 0 HB3 GLN B 97 12.967 12.615 16.029 1.00 0.00 H new ATOM 0 HG2 GLN B 97 10.914 12.059 13.875 1.00 0.00 H new ATOM 0 HG3 GLN B 97 11.027 11.356 15.476 1.00 0.00 H new ATOM 0 HE21 GLN B 97 8.748 12.723 14.102 1.00 0.00 H new ATOM 0 HE22 GLN B 97 8.278 14.028 15.197 1.00 0.00 H new ATOM 1750 N ARG B 98 15.164 13.714 13.564 1.00 0.00 N ATOM 1751 CA ARG B 98 16.592 13.769 13.289 1.00 0.00 C ATOM 1752 C ARG B 98 17.494 13.198 14.402 1.00 0.00 C ATOM 1753 O ARG B 98 18.249 13.920 15.054 1.00 0.00 O ATOM 1754 CB ARG B 98 17.016 15.164 12.820 1.00 0.00 C ATOM 1755 CG ARG B 98 18.277 15.026 11.960 1.00 0.00 C ATOM 1756 CD ARG B 98 17.950 14.827 10.471 1.00 0.00 C ATOM 1757 NE ARG B 98 17.657 16.133 9.855 1.00 0.00 N ATOM 1758 CZ ARG B 98 17.927 16.586 8.629 1.00 0.00 C ATOM 1759 NH1 ARG B 98 18.503 15.858 7.694 1.00 0.00 N ATOM 1760 NH2 ARG B 98 17.635 17.838 8.359 1.00 0.00 N ATOM 0 H ARG B 98 14.701 13.041 12.954 1.00 0.00 H new ATOM 0 HA ARG B 98 16.756 13.080 12.461 1.00 0.00 H new ATOM 0 HB2 ARG B 98 16.215 15.630 12.246 1.00 0.00 H new ATOM 0 HB3 ARG B 98 17.211 15.809 13.677 1.00 0.00 H new ATOM 0 HG2 ARG B 98 18.894 15.917 12.078 1.00 0.00 H new ATOM 0 HG3 ARG B 98 18.866 14.181 12.316 1.00 0.00 H new ATOM 0 HD2 ARG B 98 18.790 14.353 9.963 1.00 0.00 H new ATOM 0 HD3 ARG B 98 17.094 14.161 10.361 1.00 0.00 H new ATOM 0 HE ARG B 98 17.172 16.795 10.461 1.00 0.00 H new ATOM 0 HH11 ARG B 98 18.768 14.893 7.890 1.00 0.00 H new ATOM 0 HH12 ARG B 98 18.684 16.260 6.774 1.00 0.00 H new ATOM 0 HH21 ARG B 98 17.216 18.430 9.076 1.00 0.00 H new ATOM 0 HH22 ARG B 98 17.828 18.218 7.432 1.00 0.00 H new ATOM 1774 N LEU B 99 17.504 11.874 14.546 1.00 0.00 N ATOM 1775 CA LEU B 99 18.558 11.193 15.301 1.00 0.00 C ATOM 1776 C LEU B 99 19.925 11.358 14.614 1.00 0.00 C ATOM 1777 O LEU B 99 20.011 11.691 13.427 1.00 0.00 O ATOM 1778 CB LEU B 99 18.193 9.729 15.550 1.00 0.00 C ATOM 1779 CG LEU B 99 16.759 9.514 16.060 1.00 0.00 C ATOM 1780 CD1 LEU B 99 16.613 8.043 16.445 1.00 0.00 C ATOM 1781 CD2 LEU B 99 16.426 10.384 17.278 1.00 0.00 C ATOM 0 H LEU B 99 16.798 11.252 14.152 1.00 0.00 H new ATOM 0 HA LEU B 99 18.644 11.665 16.280 1.00 0.00 H new ATOM 0 HB2 LEU B 99 18.324 9.171 14.623 1.00 0.00 H new ATOM 0 HB3 LEU B 99 18.891 9.311 16.275 1.00 0.00 H new ATOM 0 HG LEU B 99 16.069 9.798 15.265 1.00 0.00 H new ATOM 0 HD11 LEU B 99 15.603 7.861 16.811 1.00 0.00 H new ATOM 0 HD12 LEU B 99 16.800 7.418 15.572 1.00 0.00 H new ATOM 0 HD13 LEU B 99 17.332 7.799 17.227 1.00 0.00 H new ATOM 0 HD21 LEU B 99 15.401 10.190 17.594 1.00 0.00 H new ATOM 0 HD22 LEU B 99 17.109 10.145 18.093 1.00 0.00 H new ATOM 0 HD23 LEU B 99 16.531 11.436 17.013 1.00 0.00 H new ATOM 1793 N GLN B 100 21.012 11.229 15.369 1.00 0.00 N ATOM 1794 CA GLN B 100 22.303 11.784 14.994 1.00 0.00 C ATOM 1795 C GLN B 100 23.105 10.822 14.117 1.00 0.00 C ATOM 1796 O GLN B 100 23.335 11.114 12.942 1.00 0.00 O ATOM 1797 CB GLN B 100 23.054 12.215 16.260 1.00 0.00 C ATOM 1798 CG GLN B 100 22.276 13.290 17.037 1.00 0.00 C ATOM 1799 CD GLN B 100 22.101 14.569 16.231 1.00 0.00 C ATOM 1800 OE1 GLN B 100 23.025 15.358 16.106 1.00 0.00 O ATOM 1801 NE2 GLN B 100 20.936 14.807 15.652 1.00 0.00 N ATOM 0 H GLN B 100 21.019 10.734 16.261 1.00 0.00 H new ATOM 0 HA GLN B 100 22.150 12.669 14.376 1.00 0.00 H new ATOM 0 HB2 GLN B 100 23.218 11.348 16.900 1.00 0.00 H new ATOM 0 HB3 GLN B 100 24.037 12.600 15.988 1.00 0.00 H new ATOM 0 HG2 GLN B 100 21.296 12.899 17.312 1.00 0.00 H new ATOM 0 HG3 GLN B 100 22.801 13.516 17.965 1.00 0.00 H new ATOM 0 HE21 GLN B 100 20.168 14.144 15.760 1.00 0.00 H new ATOM 0 HE22 GLN B 100 20.805 15.653 15.097 1.00 0.00 H new ATOM 1810 N SER B 101 23.509 9.686 14.664 1.00 0.00 N ATOM 1811 CA SER B 101 24.370 8.728 13.979 1.00 0.00 C ATOM 1812 C SER B 101 23.596 7.699 13.141 1.00 0.00 C ATOM 1813 O SER B 101 22.432 7.385 13.400 1.00 0.00 O ATOM 1814 CB SER B 101 25.274 8.042 15.009 1.00 0.00 C ATOM 1815 OG SER B 101 26.276 7.280 14.348 1.00 0.00 O ATOM 0 H SER B 101 23.247 9.398 15.607 1.00 0.00 H new ATOM 0 HA SER B 101 24.976 9.282 13.262 1.00 0.00 H new ATOM 0 HB2 SER B 101 25.739 8.790 15.651 1.00 0.00 H new ATOM 0 HB3 SER B 101 24.679 7.394 15.653 1.00 0.00 H new ATOM 0 HG SER B 101 26.450 7.665 13.464 1.00 0.00 H new ATOM 1821 N GLU B 102 24.278 7.127 12.148 1.00 0.00 N ATOM 1822 CA GLU B 102 23.820 6.029 11.300 1.00 0.00 C ATOM 1823 C GLU B 102 23.108 4.939 12.117 1.00 0.00 C ATOM 1824 O GLU B 102 22.030 4.463 11.778 1.00 0.00 O ATOM 1825 CB GLU B 102 25.000 5.392 10.539 1.00 0.00 C ATOM 1826 CG GLU B 102 26.102 6.352 10.066 1.00 0.00 C ATOM 1827 CD GLU B 102 27.094 6.662 11.170 1.00 0.00 C ATOM 1828 OE1 GLU B 102 27.877 5.750 11.508 1.00 0.00 O ATOM 1829 OE2 GLU B 102 26.940 7.731 11.796 1.00 0.00 O ATOM 0 H GLU B 102 25.218 7.436 11.901 1.00 0.00 H new ATOM 0 HA GLU B 102 23.112 6.455 10.589 1.00 0.00 H new ATOM 0 HB2 GLU B 102 25.455 4.639 11.182 1.00 0.00 H new ATOM 0 HB3 GLU B 102 24.604 4.870 9.668 1.00 0.00 H new ATOM 0 HG2 GLU B 102 26.628 5.912 9.219 1.00 0.00 H new ATOM 0 HG3 GLU B 102 25.649 7.279 9.714 1.00 0.00 H new ATOM 1836 N GLN B 103 23.720 4.542 13.228 1.00 0.00 N ATOM 1837 CA GLN B 103 23.162 3.509 14.085 1.00 0.00 C ATOM 1838 C GLN B 103 21.791 3.910 14.645 1.00 0.00 C ATOM 1839 O GLN B 103 20.858 3.117 14.647 1.00 0.00 O ATOM 1840 CB GLN B 103 24.171 3.159 15.179 1.00 0.00 C ATOM 1841 CG GLN B 103 23.570 2.125 16.139 1.00 0.00 C ATOM 1842 CD GLN B 103 24.628 1.378 16.928 1.00 0.00 C ATOM 1843 OE1 GLN B 103 24.891 1.656 18.088 1.00 0.00 O ATOM 1844 NE2 GLN B 103 25.283 0.413 16.316 1.00 0.00 N ATOM 0 H GLN B 103 24.607 4.924 13.555 1.00 0.00 H new ATOM 0 HA GLN B 103 22.981 2.612 13.492 1.00 0.00 H new ATOM 0 HB2 GLN B 103 25.083 2.764 14.731 1.00 0.00 H new ATOM 0 HB3 GLN B 103 24.450 4.058 15.729 1.00 0.00 H new ATOM 0 HG2 GLN B 103 22.893 2.627 16.830 1.00 0.00 H new ATOM 0 HG3 GLN B 103 22.974 1.411 15.571 1.00 0.00 H new ATOM 0 HE21 GLN B 103 25.063 0.182 15.347 1.00 0.00 H new ATOM 0 HE22 GLN B 103 26.011 -0.103 16.811 1.00 0.00 H new ATOM 1853 N GLU B 104 21.650 5.146 15.105 1.00 0.00 N ATOM 1854 CA GLU B 104 20.390 5.608 15.668 1.00 0.00 C ATOM 1855 C GLU B 104 19.293 5.628 14.607 1.00 0.00 C ATOM 1856 O GLU B 104 18.197 5.109 14.813 1.00 0.00 O ATOM 1857 CB GLU B 104 20.565 7.015 16.210 1.00 0.00 C ATOM 1858 CG GLU B 104 21.664 7.120 17.264 1.00 0.00 C ATOM 1859 CD GLU B 104 22.093 8.575 17.389 1.00 0.00 C ATOM 1860 OE1 GLU B 104 21.197 9.446 17.432 1.00 0.00 O ATOM 1861 OE2 GLU B 104 23.307 8.819 17.249 1.00 0.00 O ATOM 0 H GLU B 104 22.392 5.846 15.099 1.00 0.00 H new ATOM 0 HA GLU B 104 20.101 4.923 16.465 1.00 0.00 H new ATOM 0 HB2 GLU B 104 20.796 7.689 15.385 1.00 0.00 H new ATOM 0 HB3 GLU B 104 19.622 7.351 16.642 1.00 0.00 H new ATOM 0 HG2 GLU B 104 21.302 6.750 18.223 1.00 0.00 H new ATOM 0 HG3 GLU B 104 22.515 6.499 16.984 1.00 0.00 H new ATOM 1868 N VAL B 105 19.587 6.230 13.454 1.00 0.00 N ATOM 1869 CA VAL B 105 18.592 6.306 12.396 1.00 0.00 C ATOM 1870 C VAL B 105 18.272 4.908 11.868 1.00 0.00 C ATOM 1871 O VAL B 105 17.104 4.596 11.692 1.00 0.00 O ATOM 1872 CB VAL B 105 18.941 7.317 11.297 1.00 0.00 C ATOM 1873 CG1 VAL B 105 19.108 8.734 11.864 1.00 0.00 C ATOM 1874 CG2 VAL B 105 20.207 6.952 10.539 1.00 0.00 C ATOM 0 H VAL B 105 20.485 6.661 13.236 1.00 0.00 H new ATOM 0 HA VAL B 105 17.677 6.707 12.832 1.00 0.00 H new ATOM 0 HB VAL B 105 18.099 7.289 10.605 1.00 0.00 H new ATOM 0 HG11 VAL B 105 19.355 9.423 11.056 1.00 0.00 H new ATOM 0 HG12 VAL B 105 18.178 9.048 12.337 1.00 0.00 H new ATOM 0 HG13 VAL B 105 19.910 8.738 12.602 1.00 0.00 H new ATOM 0 HG21 VAL B 105 20.403 7.704 9.774 1.00 0.00 H new ATOM 0 HG22 VAL B 105 21.047 6.912 11.232 1.00 0.00 H new ATOM 0 HG23 VAL B 105 20.080 5.978 10.066 1.00 0.00 H new ATOM 1884 N LEU B 106 19.252 4.012 11.704 1.00 0.00 N ATOM 1885 CA LEU B 106 18.900 2.645 11.316 1.00 0.00 C ATOM 1886 C LEU B 106 18.073 1.943 12.403 1.00 0.00 C ATOM 1887 O LEU B 106 17.106 1.268 12.070 1.00 0.00 O ATOM 1888 CB LEU B 106 20.089 1.843 10.756 1.00 0.00 C ATOM 1889 CG LEU B 106 21.019 1.186 11.783 1.00 0.00 C ATOM 1890 CD1 LEU B 106 20.523 -0.183 12.265 1.00 0.00 C ATOM 1891 CD2 LEU B 106 22.401 0.977 11.153 1.00 0.00 C ATOM 0 H LEU B 106 20.248 4.196 11.827 1.00 0.00 H new ATOM 0 HA LEU B 106 18.232 2.707 10.457 1.00 0.00 H new ATOM 0 HB2 LEU B 106 19.697 1.063 10.104 1.00 0.00 H new ATOM 0 HB3 LEU B 106 20.686 2.509 10.133 1.00 0.00 H new ATOM 0 HG LEU B 106 21.051 1.858 12.641 1.00 0.00 H new ATOM 0 HD11 LEU B 106 21.228 -0.591 12.989 1.00 0.00 H new ATOM 0 HD12 LEU B 106 19.545 -0.071 12.733 1.00 0.00 H new ATOM 0 HD13 LEU B 106 20.443 -0.861 11.415 1.00 0.00 H new ATOM 0 HD21 LEU B 106 23.065 0.510 11.880 1.00 0.00 H new ATOM 0 HD22 LEU B 106 22.309 0.332 10.279 1.00 0.00 H new ATOM 0 HD23 LEU B 106 22.813 1.940 10.851 1.00 0.00 H new ATOM 1903 N ASN B 107 18.385 2.122 13.696 1.00 0.00 N ATOM 1904 CA ASN B 107 17.554 1.552 14.768 1.00 0.00 C ATOM 1905 C ASN B 107 16.094 2.029 14.642 1.00 0.00 C ATOM 1906 O ASN B 107 15.149 1.238 14.584 1.00 0.00 O ATOM 1907 CB ASN B 107 18.112 1.933 16.152 1.00 0.00 C ATOM 1908 CG ASN B 107 19.496 1.373 16.463 1.00 0.00 C ATOM 1909 OD1 ASN B 107 19.916 0.350 15.936 1.00 0.00 O ATOM 1910 ND2 ASN B 107 20.226 2.037 17.349 1.00 0.00 N ATOM 0 H ASN B 107 19.195 2.649 14.022 1.00 0.00 H new ATOM 0 HA ASN B 107 17.577 0.467 14.667 1.00 0.00 H new ATOM 0 HB2 ASN B 107 18.151 3.020 16.225 1.00 0.00 H new ATOM 0 HB3 ASN B 107 17.416 1.587 16.916 1.00 0.00 H new ATOM 0 HD21 ASN B 107 21.154 1.698 17.602 1.00 0.00 H new ATOM 0 HD22 ASN B 107 19.859 2.887 17.777 1.00 0.00 H new ATOM 1917 N TYR B 108 15.921 3.347 14.581 1.00 0.00 N ATOM 1918 CA TYR B 108 14.631 4.012 14.454 1.00 0.00 C ATOM 1919 C TYR B 108 13.875 3.587 13.187 1.00 0.00 C ATOM 1920 O TYR B 108 12.785 3.020 13.270 1.00 0.00 O ATOM 1921 CB TYR B 108 14.888 5.517 14.500 1.00 0.00 C ATOM 1922 CG TYR B 108 13.644 6.372 14.586 1.00 0.00 C ATOM 1923 CD1 TYR B 108 13.112 6.692 15.846 1.00 0.00 C ATOM 1924 CD2 TYR B 108 13.084 6.933 13.424 1.00 0.00 C ATOM 1925 CE1 TYR B 108 12.058 7.613 15.945 1.00 0.00 C ATOM 1926 CE2 TYR B 108 12.069 7.898 13.535 1.00 0.00 C ATOM 1927 CZ TYR B 108 11.545 8.222 14.792 1.00 0.00 C ATOM 1928 OH TYR B 108 10.465 9.029 14.924 1.00 0.00 O ATOM 0 H TYR B 108 16.702 4.001 14.620 1.00 0.00 H new ATOM 0 HA TYR B 108 13.979 3.719 15.277 1.00 0.00 H new ATOM 0 HB2 TYR B 108 15.522 5.737 15.359 1.00 0.00 H new ATOM 0 HB3 TYR B 108 15.447 5.803 13.609 1.00 0.00 H new ATOM 0 HD1 TYR B 108 13.513 6.230 16.736 1.00 0.00 H new ATOM 0 HD2 TYR B 108 13.433 6.623 12.450 1.00 0.00 H new ATOM 0 HE1 TYR B 108 11.641 7.853 16.912 1.00 0.00 H new ATOM 0 HE2 TYR B 108 11.693 8.390 12.650 1.00 0.00 H new ATOM 0 HH TYR B 108 10.214 9.386 14.046 1.00 0.00 H new ATOM 1938 N ILE B 109 14.463 3.812 12.011 1.00 0.00 N ATOM 1939 CA ILE B 109 13.899 3.410 10.725 1.00 0.00 C ATOM 1940 C ILE B 109 13.486 1.931 10.752 1.00 0.00 C ATOM 1941 O ILE B 109 12.359 1.603 10.409 1.00 0.00 O ATOM 1942 CB ILE B 109 14.891 3.647 9.574 1.00 0.00 C ATOM 1943 CG1 ILE B 109 15.188 5.136 9.365 1.00 0.00 C ATOM 1944 CG2 ILE B 109 14.318 3.103 8.260 1.00 0.00 C ATOM 1945 CD1 ILE B 109 16.374 5.310 8.413 1.00 0.00 C ATOM 0 H ILE B 109 15.361 4.288 11.926 1.00 0.00 H new ATOM 0 HA ILE B 109 13.017 4.027 10.552 1.00 0.00 H new ATOM 0 HB ILE B 109 15.811 3.131 9.847 1.00 0.00 H new ATOM 0 HG12 ILE B 109 14.309 5.636 8.958 1.00 0.00 H new ATOM 0 HG13 ILE B 109 15.408 5.608 10.322 1.00 0.00 H new ATOM 0 HG21 ILE B 109 15.030 3.277 7.453 1.00 0.00 H new ATOM 0 HG22 ILE B 109 14.135 2.033 8.358 1.00 0.00 H new ATOM 0 HG23 ILE B 109 13.381 3.612 8.033 1.00 0.00 H new ATOM 0 HD11 ILE B 109 16.575 6.372 8.273 1.00 0.00 H new ATOM 0 HD12 ILE B 109 17.254 4.827 8.837 1.00 0.00 H new ATOM 0 HD13 ILE B 109 16.138 4.855 7.451 1.00 0.00 H new ATOM 1957 N GLU B 110 14.364 1.014 11.167 1.00 0.00 N ATOM 1958 CA GLU B 110 14.040 -0.411 11.280 1.00 0.00 C ATOM 1959 C GLU B 110 12.824 -0.677 12.196 1.00 0.00 C ATOM 1960 O GLU B 110 11.955 -1.507 11.884 1.00 0.00 O ATOM 1961 CB GLU B 110 15.300 -1.159 11.737 1.00 0.00 C ATOM 1962 CG GLU B 110 16.347 -1.220 10.609 1.00 0.00 C ATOM 1963 CD GLU B 110 16.189 -2.460 9.764 1.00 0.00 C ATOM 1964 OE1 GLU B 110 16.609 -3.530 10.253 1.00 0.00 O ATOM 1965 OE2 GLU B 110 15.642 -2.358 8.651 1.00 0.00 O ATOM 0 H GLU B 110 15.322 1.239 11.435 1.00 0.00 H new ATOM 0 HA GLU B 110 13.734 -0.786 10.304 1.00 0.00 H new ATOM 0 HB2 GLU B 110 15.727 -0.661 12.607 1.00 0.00 H new ATOM 0 HB3 GLU B 110 15.035 -2.170 12.046 1.00 0.00 H new ATOM 0 HG2 GLU B 110 16.254 -0.336 9.978 1.00 0.00 H new ATOM 0 HG3 GLU B 110 17.348 -1.199 11.040 1.00 0.00 H new ATOM 1972 N THR B 111 12.725 0.048 13.310 1.00 0.00 N ATOM 1973 CA THR B 111 11.541 0.025 14.176 1.00 0.00 C ATOM 1974 C THR B 111 10.279 0.502 13.437 1.00 0.00 C ATOM 1975 O THR B 111 9.300 -0.238 13.343 1.00 0.00 O ATOM 1976 CB THR B 111 11.791 0.816 15.471 1.00 0.00 C ATOM 1977 OG1 THR B 111 12.946 0.309 16.105 1.00 0.00 O ATOM 1978 CG2 THR B 111 10.636 0.653 16.458 1.00 0.00 C ATOM 0 H THR B 111 13.463 0.670 13.640 1.00 0.00 H new ATOM 0 HA THR B 111 11.357 -1.012 14.458 1.00 0.00 H new ATOM 0 HB THR B 111 11.898 1.866 15.200 1.00 0.00 H new ATOM 0 HG1 THR B 111 13.744 0.614 15.624 1.00 0.00 H new ATOM 0 HG21 THR B 111 10.846 1.225 17.362 1.00 0.00 H new ATOM 0 HG22 THR B 111 9.715 1.018 16.004 1.00 0.00 H new ATOM 0 HG23 THR B 111 10.522 -0.400 16.714 1.00 0.00 H new ATOM 1986 N GLN B 112 10.287 1.699 12.850 1.00 0.00 N ATOM 1987 CA GLN B 112 9.144 2.230 12.109 1.00 0.00 C ATOM 1988 C GLN B 112 8.744 1.351 10.904 1.00 0.00 C ATOM 1989 O GLN B 112 7.585 1.018 10.699 1.00 0.00 O ATOM 1990 CB GLN B 112 9.460 3.647 11.644 1.00 0.00 C ATOM 1991 CG GLN B 112 9.775 4.636 12.769 1.00 0.00 C ATOM 1992 CD GLN B 112 9.911 6.034 12.190 1.00 0.00 C ATOM 1993 OE1 GLN B 112 10.683 6.239 11.266 1.00 0.00 O ATOM 1994 NE2 GLN B 112 9.153 6.980 12.706 1.00 0.00 N ATOM 0 H GLN B 112 11.089 2.329 12.875 1.00 0.00 H new ATOM 0 HA GLN B 112 8.290 2.233 12.786 1.00 0.00 H new ATOM 0 HB2 GLN B 112 10.310 3.610 10.963 1.00 0.00 H new ATOM 0 HB3 GLN B 112 8.611 4.025 11.074 1.00 0.00 H new ATOM 0 HG2 GLN B 112 8.983 4.616 13.518 1.00 0.00 H new ATOM 0 HG3 GLN B 112 10.697 4.348 13.273 1.00 0.00 H new ATOM 0 HE21 GLN B 112 8.522 6.764 13.478 1.00 0.00 H new ATOM 0 HE22 GLN B 112 9.197 7.929 12.334 1.00 0.00 H new ATOM 2003 N ARG B 113 9.717 0.901 10.123 1.00 0.00 N ATOM 2004 CA ARG B 113 9.604 -0.152 9.117 1.00 0.00 C ATOM 2005 C ARG B 113 8.902 -1.405 9.681 1.00 0.00 C ATOM 2006 O ARG B 113 8.160 -2.095 8.982 1.00 0.00 O ATOM 2007 CB ARG B 113 11.030 -0.445 8.635 1.00 0.00 C ATOM 2008 CG ARG B 113 11.165 -1.502 7.536 1.00 0.00 C ATOM 2009 CD ARG B 113 12.665 -1.701 7.273 1.00 0.00 C ATOM 2010 NE ARG B 113 12.902 -2.697 6.210 1.00 0.00 N ATOM 2011 CZ ARG B 113 13.644 -3.811 6.288 1.00 0.00 C ATOM 2012 NH1 ARG B 113 14.305 -4.184 7.360 1.00 0.00 N ATOM 2013 NH2 ARG B 113 13.740 -4.609 5.254 1.00 0.00 N ATOM 0 H ARG B 113 10.662 1.282 10.176 1.00 0.00 H new ATOM 0 HA ARG B 113 8.980 0.167 8.282 1.00 0.00 H new ATOM 0 HB2 ARG B 113 11.468 0.485 8.272 1.00 0.00 H new ATOM 0 HB3 ARG B 113 11.623 -0.763 9.492 1.00 0.00 H new ATOM 0 HG2 ARG B 113 10.702 -2.439 7.845 1.00 0.00 H new ATOM 0 HG3 ARG B 113 10.656 -1.179 6.628 1.00 0.00 H new ATOM 0 HD2 ARG B 113 13.114 -0.750 6.988 1.00 0.00 H new ATOM 0 HD3 ARG B 113 13.156 -2.024 8.191 1.00 0.00 H new ATOM 0 HE ARG B 113 12.450 -2.517 5.314 1.00 0.00 H new ATOM 0 HH11 ARG B 113 14.273 -3.612 8.204 1.00 0.00 H new ATOM 0 HH12 ARG B 113 14.851 -5.046 7.349 1.00 0.00 H new ATOM 0 HH21 ARG B 113 13.250 -4.383 4.388 1.00 0.00 H new ATOM 0 HH22 ARG B 113 14.305 -5.456 5.314 1.00 0.00 H new ATOM 2027 N THR B 114 9.132 -1.741 10.951 1.00 0.00 N ATOM 2028 CA THR B 114 8.389 -2.791 11.656 1.00 0.00 C ATOM 2029 C THR B 114 6.968 -2.385 12.078 1.00 0.00 C ATOM 2030 O THR B 114 6.058 -3.204 11.929 1.00 0.00 O ATOM 2031 CB THR B 114 9.260 -3.420 12.748 1.00 0.00 C ATOM 2032 OG1 THR B 114 10.387 -3.970 12.077 1.00 0.00 O ATOM 2033 CG2 THR B 114 8.550 -4.544 13.499 1.00 0.00 C ATOM 0 H THR B 114 9.844 -1.290 11.525 1.00 0.00 H new ATOM 0 HA THR B 114 8.178 -3.590 10.945 1.00 0.00 H new ATOM 0 HB THR B 114 9.517 -2.661 13.487 1.00 0.00 H new ATOM 0 HG1 THR B 114 11.042 -3.262 11.903 1.00 0.00 H new ATOM 0 HG21 THR B 114 9.216 -4.951 14.260 1.00 0.00 H new ATOM 0 HG22 THR B 114 7.651 -4.152 13.976 1.00 0.00 H new ATOM 0 HG23 THR B 114 8.275 -5.332 12.799 1.00 0.00 H new ATOM 2041 N TYR B 115 6.729 -1.131 12.467 1.00 0.00 N ATOM 2042 CA TYR B 115 5.370 -0.575 12.441 1.00 0.00 C ATOM 2043 C TYR B 115 4.702 -0.812 11.073 1.00 0.00 C ATOM 2044 O TYR B 115 3.713 -1.532 11.008 1.00 0.00 O ATOM 2045 CB TYR B 115 5.343 0.902 12.881 1.00 0.00 C ATOM 2046 CG TYR B 115 4.224 1.724 12.261 1.00 0.00 C ATOM 2047 CD1 TYR B 115 2.905 1.552 12.717 1.00 0.00 C ATOM 2048 CD2 TYR B 115 4.471 2.512 11.121 1.00 0.00 C ATOM 2049 CE1 TYR B 115 1.838 2.142 12.017 1.00 0.00 C ATOM 2050 CE2 TYR B 115 3.396 3.059 10.397 1.00 0.00 C ATOM 2051 CZ TYR B 115 2.082 2.879 10.849 1.00 0.00 C ATOM 2052 OH TYR B 115 1.044 3.401 10.141 1.00 0.00 O ATOM 0 H TYR B 115 7.446 -0.487 12.800 1.00 0.00 H new ATOM 0 HA TYR B 115 4.772 -1.112 13.178 1.00 0.00 H new ATOM 0 HB2 TYR B 115 5.249 0.943 13.966 1.00 0.00 H new ATOM 0 HB3 TYR B 115 6.298 1.361 12.627 1.00 0.00 H new ATOM 0 HD1 TYR B 115 2.712 0.967 13.604 1.00 0.00 H new ATOM 0 HD2 TYR B 115 5.486 2.697 10.802 1.00 0.00 H new ATOM 0 HE1 TYR B 115 0.827 2.027 12.380 1.00 0.00 H new ATOM 0 HE2 TYR B 115 3.584 3.618 9.492 1.00 0.00 H new ATOM 0 HH TYR B 115 0.221 2.916 10.361 1.00 0.00 H new ATOM 2062 N TRP B 116 5.253 -0.295 9.970 1.00 0.00 N ATOM 2063 CA TRP B 116 4.700 -0.498 8.629 1.00 0.00 C ATOM 2064 C TRP B 116 4.464 -1.977 8.296 1.00 0.00 C ATOM 2065 O TRP B 116 3.417 -2.341 7.760 1.00 0.00 O ATOM 2066 CB TRP B 116 5.551 0.180 7.555 1.00 0.00 C ATOM 2067 CG TRP B 116 5.193 1.608 7.291 1.00 0.00 C ATOM 2068 CD1 TRP B 116 6.016 2.660 7.471 1.00 0.00 C ATOM 2069 CD2 TRP B 116 3.931 2.168 6.809 1.00 0.00 C ATOM 2070 NE1 TRP B 116 5.360 3.824 7.123 1.00 0.00 N ATOM 2071 CE2 TRP B 116 4.084 3.577 6.681 1.00 0.00 C ATOM 2072 CE3 TRP B 116 2.661 1.639 6.493 1.00 0.00 C ATOM 2073 CZ2 TRP B 116 3.054 4.412 6.232 1.00 0.00 C ATOM 2074 CZ3 TRP B 116 1.602 2.478 6.094 1.00 0.00 C ATOM 2075 CH2 TRP B 116 1.798 3.860 5.948 1.00 0.00 C ATOM 0 H TRP B 116 6.097 0.277 9.983 1.00 0.00 H new ATOM 0 HA TRP B 116 3.721 -0.019 8.634 1.00 0.00 H new ATOM 0 HB2 TRP B 116 6.598 0.130 7.854 1.00 0.00 H new ATOM 0 HB3 TRP B 116 5.457 -0.383 6.626 1.00 0.00 H new ATOM 0 HD1 TRP B 116 7.032 2.602 7.832 1.00 0.00 H new ATOM 0 HE1 TRP B 116 5.773 4.754 7.187 1.00 0.00 H new ATOM 0 HE3 TRP B 116 2.498 0.573 6.558 1.00 0.00 H new ATOM 0 HZ2 TRP B 116 3.226 5.471 6.106 1.00 0.00 H new ATOM 0 HZ3 TRP B 116 0.629 2.053 5.898 1.00 0.00 H new ATOM 0 HH2 TRP B 116 0.987 4.493 5.619 1.00 0.00 H new ATOM 2086 N LYS B 117 5.397 -2.856 8.655 1.00 0.00 N ATOM 2087 CA LYS B 117 5.201 -4.294 8.506 1.00 0.00 C ATOM 2088 C LYS B 117 3.884 -4.770 9.157 1.00 0.00 C ATOM 2089 O LYS B 117 3.077 -5.425 8.498 1.00 0.00 O ATOM 2090 CB LYS B 117 6.445 -5.009 9.059 1.00 0.00 C ATOM 2091 CG LYS B 117 6.506 -6.514 8.786 1.00 0.00 C ATOM 2092 CD LYS B 117 7.942 -7.076 8.849 1.00 0.00 C ATOM 2093 CE LYS B 117 8.758 -6.704 10.105 1.00 0.00 C ATOM 2094 NZ LYS B 117 9.574 -5.474 9.927 1.00 0.00 N ATOM 0 H LYS B 117 6.299 -2.595 9.053 1.00 0.00 H new ATOM 0 HA LYS B 117 5.093 -4.548 7.451 1.00 0.00 H new ATOM 0 HB2 LYS B 117 7.333 -4.542 8.632 1.00 0.00 H new ATOM 0 HB3 LYS B 117 6.488 -4.849 10.136 1.00 0.00 H new ATOM 0 HG2 LYS B 117 5.884 -7.036 9.513 1.00 0.00 H new ATOM 0 HG3 LYS B 117 6.084 -6.717 7.802 1.00 0.00 H new ATOM 0 HD2 LYS B 117 7.889 -8.163 8.783 1.00 0.00 H new ATOM 0 HD3 LYS B 117 8.486 -6.729 7.970 1.00 0.00 H new ATOM 0 HE2 LYS B 117 8.077 -6.563 10.945 1.00 0.00 H new ATOM 0 HE3 LYS B 117 9.415 -7.535 10.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 9.991 -5.199 10.839 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 10.333 -5.657 9.240 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 8.969 -4.704 9.577 1.00 0.00 H new ATOM 2108 N LEU B 118 3.638 -4.417 10.424 1.00 0.00 N ATOM 2109 CA LEU B 118 2.401 -4.771 11.129 1.00 0.00 C ATOM 2110 C LEU B 118 1.166 -4.009 10.604 1.00 0.00 C ATOM 2111 O LEU B 118 0.085 -4.573 10.444 1.00 0.00 O ATOM 2112 CB LEU B 118 2.590 -4.565 12.637 1.00 0.00 C ATOM 2113 CG LEU B 118 3.677 -5.470 13.245 1.00 0.00 C ATOM 2114 CD1 LEU B 118 3.883 -5.074 14.711 1.00 0.00 C ATOM 2115 CD2 LEU B 118 3.317 -6.958 13.171 1.00 0.00 C ATOM 0 H LEU B 118 4.292 -3.877 10.990 1.00 0.00 H new ATOM 0 HA LEU B 118 2.200 -5.824 10.932 1.00 0.00 H new ATOM 0 HB2 LEU B 118 2.848 -3.523 12.824 1.00 0.00 H new ATOM 0 HB3 LEU B 118 1.644 -4.755 13.144 1.00 0.00 H new ATOM 0 HG LEU B 118 4.589 -5.329 12.665 1.00 0.00 H new ATOM 0 HD11 LEU B 118 4.651 -5.708 15.155 1.00 0.00 H new ATOM 0 HD12 LEU B 118 4.196 -4.031 14.766 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.948 -5.201 15.257 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.119 -7.549 13.614 1.00 0.00 H new ATOM 0 HD22 LEU B 118 2.391 -7.136 13.717 1.00 0.00 H new ATOM 0 HD23 LEU B 118 3.185 -7.249 12.129 1.00 0.00 H new ATOM 2127 N GLU B 119 1.311 -2.730 10.273 1.00 0.00 N ATOM 2128 CA GLU B 119 0.316 -1.909 9.588 1.00 0.00 C ATOM 2129 C GLU B 119 -0.180 -2.594 8.302 1.00 0.00 C ATOM 2130 O GLU B 119 -1.374 -2.759 8.064 1.00 0.00 O ATOM 2131 CB GLU B 119 0.982 -0.558 9.307 1.00 0.00 C ATOM 2132 CG GLU B 119 0.053 0.492 8.698 1.00 0.00 C ATOM 2133 CD GLU B 119 -1.100 0.853 9.599 1.00 0.00 C ATOM 2134 OE1 GLU B 119 -0.902 1.571 10.599 1.00 0.00 O ATOM 2135 OE2 GLU B 119 -2.212 0.358 9.345 1.00 0.00 O ATOM 0 H GLU B 119 2.164 -2.213 10.484 1.00 0.00 H new ATOM 0 HA GLU B 119 -0.572 -1.769 10.204 1.00 0.00 H new ATOM 0 HB2 GLU B 119 1.390 -0.167 10.239 1.00 0.00 H new ATOM 0 HB3 GLU B 119 1.824 -0.715 8.632 1.00 0.00 H new ATOM 0 HG2 GLU B 119 0.627 1.391 8.474 1.00 0.00 H new ATOM 0 HG3 GLU B 119 -0.336 0.119 7.751 1.00 0.00 H new ATOM 2142 N ASN B 120 0.749 -3.127 7.507 1.00 0.00 N ATOM 2143 CA ASN B 120 0.467 -3.918 6.310 1.00 0.00 C ATOM 2144 C ASN B 120 -0.059 -5.337 6.618 1.00 0.00 C ATOM 2145 O ASN B 120 -0.419 -6.083 5.703 1.00 0.00 O ATOM 2146 CB ASN B 120 1.711 -3.990 5.422 1.00 0.00 C ATOM 2147 CG ASN B 120 1.976 -2.723 4.627 1.00 0.00 C ATOM 2148 OD1 ASN B 120 1.892 -2.707 3.410 1.00 0.00 O ATOM 2149 ND2 ASN B 120 2.298 -1.641 5.292 1.00 0.00 N ATOM 0 H ASN B 120 1.747 -3.017 7.684 1.00 0.00 H new ATOM 0 HA ASN B 120 -0.336 -3.405 5.781 1.00 0.00 H new ATOM 0 HB2 ASN B 120 2.579 -4.203 6.046 1.00 0.00 H new ATOM 0 HB3 ASN B 120 1.603 -4.825 4.730 1.00 0.00 H new ATOM 0 HD21 ASN B 120 2.482 -0.771 4.792 1.00 0.00 H new ATOM 0 HD22 ASN B 120 2.365 -1.669 6.309 1.00 0.00 H new ATOM 2156 N GLN B 121 -0.098 -5.726 7.894 1.00 0.00 N ATOM 2157 CA GLN B 121 -0.570 -7.016 8.403 1.00 0.00 C ATOM 2158 C GLN B 121 -1.988 -6.925 9.000 1.00 0.00 C ATOM 2159 O GLN B 121 -2.758 -7.870 8.887 1.00 0.00 O ATOM 2160 CB GLN B 121 0.456 -7.512 9.431 1.00 0.00 C ATOM 2161 CG GLN B 121 0.479 -9.026 9.653 1.00 0.00 C ATOM 2162 CD GLN B 121 1.739 -9.402 10.425 1.00 0.00 C ATOM 2163 OE1 GLN B 121 2.801 -9.566 9.841 1.00 0.00 O ATOM 2164 NE2 GLN B 121 1.665 -9.481 11.741 1.00 0.00 N ATOM 0 H GLN B 121 0.218 -5.112 8.645 1.00 0.00 H new ATOM 0 HA GLN B 121 -0.652 -7.729 7.582 1.00 0.00 H new ATOM 0 HB2 GLN B 121 1.448 -7.193 9.113 1.00 0.00 H new ATOM 0 HB3 GLN B 121 0.255 -7.024 10.385 1.00 0.00 H new ATOM 0 HG2 GLN B 121 -0.407 -9.338 10.206 1.00 0.00 H new ATOM 0 HG3 GLN B 121 0.456 -9.546 8.695 1.00 0.00 H new ATOM 0 HE21 GLN B 121 0.770 -9.341 12.211 1.00 0.00 H new ATOM 0 HE22 GLN B 121 2.502 -9.682 12.288 1.00 0.00 H new ATOM 2173 N LYS B 122 -2.347 -5.784 9.607 1.00 0.00 N ATOM 2174 CA LYS B 122 -3.670 -5.507 10.171 1.00 0.00 C ATOM 2175 C LYS B 122 -4.841 -6.069 9.331 1.00 0.00 C ATOM 2176 O LYS B 122 -4.911 -5.847 8.116 1.00 0.00 O ATOM 2177 CB LYS B 122 -3.855 -3.987 10.284 1.00 0.00 C ATOM 2178 CG LYS B 122 -3.156 -3.244 11.431 1.00 0.00 C ATOM 2179 CD LYS B 122 -3.604 -1.775 11.303 1.00 0.00 C ATOM 2180 CE LYS B 122 -2.877 -0.783 12.224 1.00 0.00 C ATOM 2181 NZ LYS B 122 -3.174 0.611 11.816 1.00 0.00 N ATOM 0 H LYS B 122 -1.700 -5.004 9.721 1.00 0.00 H new ATOM 0 HA LYS B 122 -3.699 -6.004 11.141 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -3.518 -3.542 9.348 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -4.924 -3.789 10.364 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -3.441 -3.658 12.398 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -2.072 -3.332 11.353 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -3.461 -1.458 10.270 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -4.673 -1.719 11.509 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -3.188 -0.941 13.257 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -1.802 -0.960 12.184 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -2.287 1.100 11.580 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -3.797 0.604 10.984 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -3.646 1.108 12.598 1.00 0.00 H new ATOM 2195 N LYS B 123 -5.778 -6.738 10.008 1.00 0.00 N ATOM 2196 CA LYS B 123 -7.040 -7.259 9.477 1.00 0.00 C ATOM 2197 C LYS B 123 -7.820 -6.264 8.600 1.00 0.00 C ATOM 2198 O LYS B 123 -8.084 -5.156 9.050 1.00 0.00 O ATOM 2199 CB LYS B 123 -7.912 -7.695 10.673 1.00 0.00 C ATOM 2200 CG LYS B 123 -8.326 -6.548 11.630 1.00 0.00 C ATOM 2201 CD LYS B 123 -9.809 -6.152 11.466 1.00 0.00 C ATOM 2202 CE LYS B 123 -10.229 -4.951 12.342 1.00 0.00 C ATOM 2203 NZ LYS B 123 -9.972 -3.635 11.705 1.00 0.00 N ATOM 0 H LYS B 123 -5.669 -6.943 11.001 1.00 0.00 H new ATOM 0 HA LYS B 123 -6.796 -8.093 8.819 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -8.814 -8.174 10.291 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -7.369 -8.448 11.245 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -8.147 -6.855 12.660 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -7.697 -5.677 11.443 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -9.999 -5.912 10.420 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -10.435 -7.009 11.715 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -11.291 -5.033 12.572 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -9.693 -4.998 13.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -10.454 -2.888 12.245 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -8.949 -3.449 11.694 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -10.332 -3.645 10.730 1.00 0.00 H new ATOM 2217 N LEU B 124 -8.259 -6.675 7.404 1.00 0.00 N ATOM 2218 CA LEU B 124 -9.403 -6.077 6.693 1.00 0.00 C ATOM 2219 C LEU B 124 -10.444 -7.178 6.437 1.00 0.00 C ATOM 2220 O LEU B 124 -10.146 -8.158 5.755 1.00 0.00 O ATOM 2221 CB LEU B 124 -8.975 -5.406 5.372 1.00 0.00 C ATOM 2222 CG LEU B 124 -9.823 -4.174 4.978 1.00 0.00 C ATOM 2223 CD1 LEU B 124 -9.505 -3.755 3.550 1.00 0.00 C ATOM 2224 CD2 LEU B 124 -11.341 -4.361 5.027 1.00 0.00 C ATOM 0 H LEU B 124 -7.825 -7.444 6.893 1.00 0.00 H new ATOM 0 HA LEU B 124 -9.834 -5.290 7.312 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -7.931 -5.102 5.454 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -9.031 -6.142 4.570 1.00 0.00 H new ATOM 0 HG LEU B 124 -9.552 -3.432 5.729 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -10.108 -2.887 3.283 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -8.448 -3.501 3.472 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -9.732 -4.577 2.871 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -11.832 -3.434 4.731 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -11.632 -5.159 4.344 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -11.643 -4.624 6.041 1.00 0.00 H new ATOM 2236 N TYR B 125 -11.657 -7.044 6.965 1.00 0.00 N ATOM 2237 CA TYR B 125 -12.739 -8.039 6.858 1.00 0.00 C ATOM 2238 C TYR B 125 -13.349 -8.190 5.441 1.00 0.00 C ATOM 2239 O TYR B 125 -14.490 -8.610 5.295 1.00 0.00 O ATOM 2240 CB TYR B 125 -13.799 -7.692 7.923 1.00 0.00 C ATOM 2241 CG TYR B 125 -14.125 -6.212 8.022 1.00 0.00 C ATOM 2242 CD1 TYR B 125 -14.789 -5.560 6.964 1.00 0.00 C ATOM 2243 CD2 TYR B 125 -13.546 -5.449 9.056 1.00 0.00 C ATOM 2244 CE1 TYR B 125 -14.808 -4.155 6.904 1.00 0.00 C ATOM 2245 CE2 TYR B 125 -13.551 -4.048 8.981 1.00 0.00 C ATOM 2246 CZ TYR B 125 -14.182 -3.404 7.908 1.00 0.00 C ATOM 2247 OH TYR B 125 -14.084 -2.058 7.811 1.00 0.00 O ATOM 0 H TYR B 125 -11.931 -6.218 7.497 1.00 0.00 H new ATOM 0 HA TYR B 125 -12.313 -9.025 7.043 1.00 0.00 H new ATOM 0 HB2 TYR B 125 -14.715 -8.239 7.699 1.00 0.00 H new ATOM 0 HB3 TYR B 125 -13.449 -8.041 8.894 1.00 0.00 H new ATOM 0 HD1 TYR B 125 -15.284 -6.140 6.199 1.00 0.00 H new ATOM 0 HD2 TYR B 125 -13.099 -5.943 9.906 1.00 0.00 H new ATOM 0 HE1 TYR B 125 -15.304 -3.655 6.085 1.00 0.00 H new ATOM 0 HE2 TYR B 125 -13.068 -3.465 9.751 1.00 0.00 H new ATOM 0 HH TYR B 125 -14.760 -1.725 7.185 1.00 0.00 H new ATOM 2257 N ARG B 126 -12.595 -7.857 4.388 1.00 0.00 N ATOM 2258 CA ARG B 126 -13.029 -7.781 2.990 1.00 0.00 C ATOM 2259 C ARG B 126 -14.106 -6.706 2.746 1.00 0.00 C ATOM 2260 O ARG B 126 -13.867 -5.764 1.999 1.00 0.00 O ATOM 2261 CB ARG B 126 -13.454 -9.148 2.424 1.00 0.00 C ATOM 2262 CG ARG B 126 -12.420 -10.279 2.546 1.00 0.00 C ATOM 2263 CD ARG B 126 -11.047 -9.944 1.940 1.00 0.00 C ATOM 2264 NE ARG B 126 -10.174 -9.320 2.954 1.00 0.00 N ATOM 2265 CZ ARG B 126 -8.868 -9.052 2.870 1.00 0.00 C ATOM 2266 NH1 ARG B 126 -8.177 -9.155 1.753 1.00 0.00 N ATOM 2267 NH2 ARG B 126 -8.225 -8.667 3.949 1.00 0.00 N ATOM 0 H ARG B 126 -11.609 -7.620 4.495 1.00 0.00 H new ATOM 0 HA ARG B 126 -12.146 -7.466 2.434 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -14.367 -9.461 2.931 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -13.702 -9.021 1.370 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -12.290 -10.525 3.600 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -12.813 -11.170 2.057 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -10.580 -10.852 1.558 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -11.171 -9.269 1.093 1.00 0.00 H new ATOM 0 HE ARG B 126 -10.626 -9.060 3.831 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -8.638 -9.453 0.893 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -7.181 -8.937 1.748 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -8.723 -8.576 4.834 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -7.228 -8.459 3.901 1.00 0.00 H new