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: A 82 SER OG : rot 80:sc= 1.66 USER MOD Set 1.2: B 125 TYR OH : rot 47:sc= 1.16 USER MOD Set 2.1: A 83 ASN : amide:sc= 0.45 K(o=3.2,f=-3.9!) USER MOD Set 2.2: B 122 LYS NZ :NH3+ 166:sc= 2.75 (180deg=2.15) USER MOD Set 3.1: B 114 THR OG1 : rot 83:sc= 1.94 USER MOD Set 3.2: B 117 LYS NZ :NH3+ 135:sc= 0.16 (180deg=-1.18) USER MOD Set 4.1: B 96 ASN : amide:sc= 0.636 X(o=3.9,f=3.4) USER MOD Set 4.2: B 97 GLN : amide:sc= 0.832 K(o=3.9,f=2.9) USER MOD Set 4.3: B 108 TYR OH : rot 25:sc= 1.2 USER MOD Set 4.4: B 112 GLN : amide:sc= 1.21 K(o=3.9,f=2.2) USER MOD Set 5.1: A 125 TYR OH : rot 27:sc= 0.696 USER MOD Set 5.2: B 81 GLN : amide:sc= 1.69 K(o=2.4,f=0.021!) USER MOD Set 6.1: A 122 LYS NZ :NH3+ -109:sc= 1.51 (180deg=0.125!) USER MOD Set 6.2: B 83 ASN : amide:sc= 0.276 K(o=1.8,f=-3.2) USER MOD Set 7.1: A 120 ASN : amide:sc= 0.443 K(o=1.5,f=-4.5) USER MOD Set 7.2: B 120 ASN : amide:sc= 1.02 K(o=1.5,f=-4.5!) USER MOD Set 8.1: A 114 THR OG1 : rot 74:sc= 0.48 USER MOD Set 8.2: A 117 LYS NZ :NH3+ 175:sc= 1.67 (180deg=1.61) USER MOD Set 9.1: A 97 GLN : amide:sc= 0.671 K(o=2.7,f=-2.6!) USER MOD Set 9.2: A 108 TYR OH : rot 2:sc= 2.04 USER MOD Single : A 69 SER OG : rot 180:sc= 0.377 USER MOD Single : A 71 CYS SG : rot 25:sc= 1.35 USER MOD Single : A 79 TYR OH : rot 60:sc= -0.674 USER MOD Single : A 81 GLN : amide:sc= 0.404 K(o=0.4,f=-0.16) USER MOD Single : A 88 SER OG : rot 90:sc= 1.22 USER MOD Single : A 96 ASN : amide:sc= 0.139 K(o=0.14,f=-0.71) USER MOD Single : A 100 GLN : amide:sc= 1.21 K(o=1.2,f=-0.0069) USER MOD Single : A 101 SER OG : rot 180:sc= 0.2 USER MOD Single : A 103 GLN : amide:sc= -0.969 K(o=-0.97,f=-3.7!) USER MOD Single : A 107 ASN : amide:sc= 1.22 K(o=1.2,f=-9.9!) USER MOD Single : A 111 THR OG1 : rot 76:sc= 0.864 USER MOD Single : A 112 GLN : amide:sc= 1.01 K(o=1,f=-1) USER MOD Single : A 115 TYR OH : rot 130:sc= -0.282 USER MOD Single : A 121 GLN : amide:sc= -0.0255 X(o=-0.026,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 155:sc= 2.02 (180deg=-0.561) USER MOD Single : B 69 SER OG : rot 180:sc=-0.00776 USER MOD Single : B 71 CYS SG : rot -163:sc= 0.0778 USER MOD Single : B 79 TYR OH : rot -9:sc= 0.46 USER MOD Single : B 82 SER OG : rot -40:sc= 0.951 USER MOD Single : B 88 SER OG : rot 80:sc= 0.71 USER MOD Single : B 100 GLN : amide:sc= 1.12 K(o=1.1,f=-0.74) USER MOD Single : B 101 SER OG : rot 51:sc= 1.23 USER MOD Single : B 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 107 ASN : amide:sc= -0.643 X(o=-0.64,f=-0.44) USER MOD Single : B 111 THR OG1 : rot 78:sc= 0.983 USER MOD Single : B 115 TYR OH : rot 90:sc= 0.72 USER MOD Single : B 121 GLN : amide:sc= 0.651 K(o=0.65,f=0) USER MOD Single : B 123 LYS NZ :NH3+ 160:sc= 1.35 (180deg=0.723) USER MOD ----------------------------------------------------------------- ATOM 114 N LEU A 68 -6.871 7.255 -6.903 1.00 0.00 N ATOM 115 CA LEU A 68 -7.406 7.531 -5.568 1.00 0.00 C ATOM 116 C LEU A 68 -8.743 8.285 -5.701 1.00 0.00 C ATOM 117 O LEU A 68 -8.986 9.318 -5.081 1.00 0.00 O ATOM 118 CB LEU A 68 -6.372 8.112 -4.593 1.00 0.00 C ATOM 119 CG LEU A 68 -6.608 7.635 -3.139 1.00 0.00 C ATOM 120 CD1 LEU A 68 -6.211 6.165 -2.934 1.00 0.00 C ATOM 121 CD2 LEU A 68 -5.760 8.498 -2.197 1.00 0.00 C ATOM 0 HA LEU A 68 -7.642 6.592 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.371 7.821 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.414 9.201 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.673 7.730 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.396 5.879 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.803 5.533 -3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.153 6.039 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.915 8.174 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.706 8.392 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.054 9.543 -2.297 1.00 0.00 H new ATOM 133 N SER A 69 -9.601 7.731 -6.565 1.00 0.00 N ATOM 134 CA SER A 69 -10.985 8.112 -6.833 1.00 0.00 C ATOM 135 C SER A 69 -11.947 6.954 -6.489 1.00 0.00 C ATOM 136 O SER A 69 -11.560 5.995 -5.831 1.00 0.00 O ATOM 137 CB SER A 69 -11.075 8.531 -8.306 1.00 0.00 C ATOM 138 OG SER A 69 -12.368 9.024 -8.630 1.00 0.00 O ATOM 0 H SER A 69 -9.317 6.938 -7.141 1.00 0.00 H new ATOM 0 HA SER A 69 -11.287 8.949 -6.204 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.330 9.299 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.840 7.678 -8.943 1.00 0.00 H new ATOM 0 HG SER A 69 -12.392 9.284 -9.575 1.00 0.00 H new ATOM 144 N ALA A 70 -13.209 7.051 -6.918 1.00 0.00 N ATOM 145 CA ALA A 70 -14.362 6.262 -6.475 1.00 0.00 C ATOM 146 C ALA A 70 -14.059 4.841 -5.962 1.00 0.00 C ATOM 147 O ALA A 70 -14.209 4.559 -4.777 1.00 0.00 O ATOM 148 CB ALA A 70 -15.399 6.239 -7.603 1.00 0.00 C ATOM 0 H ALA A 70 -13.470 7.730 -7.633 1.00 0.00 H new ATOM 0 HA ALA A 70 -14.748 6.764 -5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.265 5.655 -7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.712 7.258 -7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -14.959 5.787 -8.492 1.00 0.00 H new ATOM 154 N CYS A 71 -13.662 3.932 -6.854 1.00 0.00 N ATOM 155 CA CYS A 71 -13.430 2.530 -6.507 1.00 0.00 C ATOM 156 C CYS A 71 -12.294 2.331 -5.492 1.00 0.00 C ATOM 157 O CYS A 71 -12.516 1.787 -4.414 1.00 0.00 O ATOM 158 CB CYS A 71 -13.278 1.652 -7.763 1.00 0.00 C ATOM 159 SG CYS A 71 -12.293 2.377 -9.097 1.00 0.00 S ATOM 0 H CYS A 71 -13.492 4.147 -7.837 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.327 2.189 -5.990 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.824 0.705 -7.472 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -14.271 1.424 -8.149 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.463 3.245 -8.601 1.00 0.00 H new ATOM 165 N GLU A 72 -11.077 2.782 -5.783 1.00 0.00 N ATOM 166 CA GLU A 72 -9.959 2.631 -4.861 1.00 0.00 C ATOM 167 C GLU A 72 -10.172 3.389 -3.528 1.00 0.00 C ATOM 168 O GLU A 72 -9.741 2.945 -2.465 1.00 0.00 O ATOM 169 CB GLU A 72 -8.646 2.937 -5.600 1.00 0.00 C ATOM 170 CG GLU A 72 -8.554 4.367 -6.164 1.00 0.00 C ATOM 171 CD GLU A 72 -9.110 4.611 -7.558 1.00 0.00 C ATOM 172 OE1 GLU A 72 -9.962 3.832 -8.022 1.00 0.00 O ATOM 173 OE2 GLU A 72 -8.697 5.641 -8.138 1.00 0.00 O ATOM 0 H GLU A 72 -10.841 3.257 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.892 1.594 -4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.812 2.774 -4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.530 2.228 -6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.071 5.034 -5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.504 4.661 -6.165 1.00 0.00 H new ATOM 180 N VAL A 73 -10.916 4.497 -3.550 1.00 0.00 N ATOM 181 CA VAL A 73 -11.363 5.201 -2.344 1.00 0.00 C ATOM 182 C VAL A 73 -12.379 4.368 -1.542 1.00 0.00 C ATOM 183 O VAL A 73 -12.278 4.267 -0.326 1.00 0.00 O ATOM 184 CB VAL A 73 -11.890 6.598 -2.708 1.00 0.00 C ATOM 185 CG1 VAL A 73 -12.519 7.303 -1.507 1.00 0.00 C ATOM 186 CG2 VAL A 73 -10.725 7.473 -3.177 1.00 0.00 C ATOM 0 H VAL A 73 -11.229 4.937 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.507 5.339 -1.684 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.642 6.463 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.878 8.287 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.355 6.711 -1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.774 7.415 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.096 8.465 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.989 7.558 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.259 7.020 -4.052 1.00 0.00 H new ATOM 196 N ALA A 74 -13.333 3.718 -2.210 1.00 0.00 N ATOM 197 CA ALA A 74 -14.235 2.779 -1.541 1.00 0.00 C ATOM 198 C ALA A 74 -13.466 1.580 -0.956 1.00 0.00 C ATOM 199 O ALA A 74 -13.752 1.069 0.124 1.00 0.00 O ATOM 200 CB ALA A 74 -15.326 2.338 -2.518 1.00 0.00 C ATOM 0 H ALA A 74 -13.501 3.824 -3.210 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.709 3.280 -0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.998 1.639 -2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.890 3.209 -2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.868 1.851 -3.379 1.00 0.00 H new ATOM 206 N VAL A 75 -12.419 1.129 -1.629 1.00 0.00 N ATOM 207 CA VAL A 75 -11.520 0.154 -1.024 1.00 0.00 C ATOM 208 C VAL A 75 -10.829 0.721 0.232 1.00 0.00 C ATOM 209 O VAL A 75 -10.657 0.018 1.231 1.00 0.00 O ATOM 210 CB VAL A 75 -10.569 -0.364 -2.101 1.00 0.00 C ATOM 211 CG1 VAL A 75 -9.335 -1.008 -1.488 1.00 0.00 C ATOM 212 CG2 VAL A 75 -11.332 -1.322 -3.018 1.00 0.00 C ATOM 0 H VAL A 75 -12.172 1.415 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 75 -12.078 -0.704 -0.648 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.205 0.471 -2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.679 -1.366 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.804 -0.274 -0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.636 -1.847 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.661 -1.698 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.715 -2.158 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.164 -0.794 -3.485 1.00 0.00 H new ATOM 222 N LEU A 76 -10.485 2.009 0.218 1.00 0.00 N ATOM 223 CA LEU A 76 -10.084 2.729 1.428 1.00 0.00 C ATOM 224 C LEU A 76 -11.103 2.628 2.582 1.00 0.00 C ATOM 225 O LEU A 76 -10.715 2.537 3.746 1.00 0.00 O ATOM 226 CB LEU A 76 -9.693 4.179 1.111 1.00 0.00 C ATOM 227 CG LEU A 76 -8.225 4.432 1.465 1.00 0.00 C ATOM 228 CD1 LEU A 76 -7.777 5.771 0.882 1.00 0.00 C ATOM 229 CD2 LEU A 76 -7.977 4.435 2.979 1.00 0.00 C ATOM 0 H LEU A 76 -10.476 2.580 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.194 2.222 1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.858 4.383 0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -10.331 4.864 1.670 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.647 3.614 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.732 5.947 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.888 5.751 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.391 6.571 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.920 4.619 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.574 5.220 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.260 3.469 3.396 1.00 0.00 H new ATOM 241 N ASP A 77 -12.398 2.587 2.275 1.00 0.00 N ATOM 242 CA ASP A 77 -13.457 2.426 3.272 1.00 0.00 C ATOM 243 C ASP A 77 -13.388 1.027 3.912 1.00 0.00 C ATOM 244 O ASP A 77 -13.376 0.883 5.135 1.00 0.00 O ATOM 245 CB ASP A 77 -14.823 2.850 2.669 1.00 0.00 C ATOM 246 CG ASP A 77 -15.678 1.814 1.950 1.00 0.00 C ATOM 247 OD1 ASP A 77 -15.813 0.659 2.411 1.00 0.00 O ATOM 248 OD2 ASP A 77 -16.215 2.139 0.870 1.00 0.00 O ATOM 0 H ASP A 77 -12.746 2.665 1.319 1.00 0.00 H new ATOM 0 HA ASP A 77 -13.313 3.102 4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -15.423 3.264 3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -14.633 3.661 1.966 1.00 0.00 H new ATOM 253 N LEU A 78 -13.213 -0.012 3.094 1.00 0.00 N ATOM 254 CA LEU A 78 -13.013 -1.364 3.596 1.00 0.00 C ATOM 255 C LEU A 78 -11.717 -1.470 4.416 1.00 0.00 C ATOM 256 O LEU A 78 -11.671 -2.157 5.437 1.00 0.00 O ATOM 257 CB LEU A 78 -13.083 -2.365 2.435 1.00 0.00 C ATOM 258 CG LEU A 78 -14.453 -3.049 2.330 1.00 0.00 C ATOM 259 CD1 LEU A 78 -14.468 -3.891 1.054 1.00 0.00 C ATOM 260 CD2 LEU A 78 -14.772 -3.994 3.499 1.00 0.00 C ATOM 0 H LEU A 78 -13.206 0.062 2.077 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.817 -1.616 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.866 -1.848 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.311 -3.123 2.566 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.199 -2.254 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.433 -4.388 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.304 -3.246 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.678 -4.640 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.757 -4.437 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.022 -4.783 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.764 -3.433 4.433 1.00 0.00 H new ATOM 272 N TYR A 79 -10.657 -0.762 4.021 1.00 0.00 N ATOM 273 CA TYR A 79 -9.493 -0.593 4.878 1.00 0.00 C ATOM 274 C TYR A 79 -9.815 0.092 6.210 1.00 0.00 C ATOM 275 O TYR A 79 -9.357 -0.384 7.248 1.00 0.00 O ATOM 276 CB TYR A 79 -8.374 0.150 4.143 1.00 0.00 C ATOM 277 CG TYR A 79 -7.703 -0.637 3.044 1.00 0.00 C ATOM 278 CD1 TYR A 79 -7.347 -1.984 3.248 1.00 0.00 C ATOM 279 CD2 TYR A 79 -7.414 -0.030 1.811 1.00 0.00 C ATOM 280 CE1 TYR A 79 -6.924 -2.763 2.165 1.00 0.00 C ATOM 281 CE2 TYR A 79 -7.027 -0.829 0.730 1.00 0.00 C ATOM 282 CZ TYR A 79 -6.996 -2.216 0.881 1.00 0.00 C ATOM 283 OH TYR A 79 -6.807 -3.024 -0.189 1.00 0.00 O ATOM 0 H TYR A 79 -10.585 -0.299 3.115 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.149 -1.598 5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.785 1.065 3.716 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.618 0.449 4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.400 -2.415 4.237 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.490 1.041 1.699 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.550 -3.765 2.318 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.755 -0.377 -0.212 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.482 -3.734 -0.186 1.00 0.00 H new ATOM 293 N GLU A 80 -10.590 1.171 6.206 1.00 0.00 N ATOM 294 CA GLU A 80 -10.967 1.890 7.417 1.00 0.00 C ATOM 295 C GLU A 80 -11.707 0.955 8.386 1.00 0.00 C ATOM 296 O GLU A 80 -11.287 0.739 9.524 1.00 0.00 O ATOM 297 CB GLU A 80 -11.789 3.121 7.012 1.00 0.00 C ATOM 298 CG GLU A 80 -11.863 4.088 8.195 1.00 0.00 C ATOM 299 CD GLU A 80 -12.565 5.395 7.866 1.00 0.00 C ATOM 300 OE1 GLU A 80 -13.811 5.364 7.833 1.00 0.00 O ATOM 301 OE2 GLU A 80 -11.829 6.387 7.680 1.00 0.00 O ATOM 0 H GLU A 80 -10.978 1.575 5.353 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.086 2.238 7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.331 3.612 6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.792 2.820 6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.385 3.602 9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.852 4.305 8.541 1.00 0.00 H new ATOM 308 N GLN A 81 -12.724 0.268 7.864 1.00 0.00 N ATOM 309 CA GLN A 81 -13.443 -0.814 8.539 1.00 0.00 C ATOM 310 C GLN A 81 -12.496 -1.916 9.062 1.00 0.00 C ATOM 311 O GLN A 81 -12.666 -2.433 10.164 1.00 0.00 O ATOM 312 CB GLN A 81 -14.479 -1.393 7.566 1.00 0.00 C ATOM 313 CG GLN A 81 -15.588 -0.379 7.234 1.00 0.00 C ATOM 314 CD GLN A 81 -16.166 -0.595 5.841 1.00 0.00 C ATOM 315 OE1 GLN A 81 -16.494 -1.710 5.452 1.00 0.00 O ATOM 316 NE2 GLN A 81 -16.271 0.467 5.066 1.00 0.00 N ATOM 0 H GLN A 81 -13.082 0.456 6.928 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.942 -0.405 9.418 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.981 -1.700 6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.924 -2.288 8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -16.385 -0.460 7.973 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.187 0.632 7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.991 1.383 5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.633 0.372 4.117 1.00 0.00 H new ATOM 325 N SER A 82 -11.471 -2.276 8.286 1.00 0.00 N ATOM 326 CA SER A 82 -10.437 -3.233 8.698 1.00 0.00 C ATOM 327 C SER A 82 -9.344 -2.631 9.601 1.00 0.00 C ATOM 328 O SER A 82 -8.389 -3.325 9.951 1.00 0.00 O ATOM 329 CB SER A 82 -9.808 -3.892 7.470 1.00 0.00 C ATOM 330 OG SER A 82 -10.814 -4.490 6.680 1.00 0.00 O ATOM 0 H SER A 82 -11.333 -1.909 7.345 1.00 0.00 H new ATOM 0 HA SER A 82 -10.946 -3.981 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.267 -3.149 6.884 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.082 -4.643 7.781 1.00 0.00 H new ATOM 0 HG SER A 82 -11.259 -3.803 6.141 1.00 0.00 H new ATOM 336 N ASN A 83 -9.438 -1.345 9.943 1.00 0.00 N ATOM 337 CA ASN A 83 -8.404 -0.577 10.634 1.00 0.00 C ATOM 338 C ASN A 83 -7.041 -0.685 9.922 1.00 0.00 C ATOM 339 O ASN A 83 -6.059 -1.131 10.508 1.00 0.00 O ATOM 340 CB ASN A 83 -8.346 -0.999 12.114 1.00 0.00 C ATOM 341 CG ASN A 83 -7.375 -0.147 12.921 1.00 0.00 C ATOM 342 OD1 ASN A 83 -6.295 -0.591 13.310 1.00 0.00 O ATOM 343 ND2 ASN A 83 -7.718 1.103 13.169 1.00 0.00 N ATOM 0 H ASN A 83 -10.269 -0.790 9.738 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.665 0.481 10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -9.342 -0.923 12.550 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.049 -2.046 12.180 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.085 1.712 13.688 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.616 1.460 12.842 1.00 0.00 H new ATOM 350 N ILE A 84 -6.961 -0.300 8.649 1.00 0.00 N ATOM 351 CA ILE A 84 -5.765 -0.448 7.814 1.00 0.00 C ATOM 352 C ILE A 84 -5.255 0.895 7.267 1.00 0.00 C ATOM 353 O ILE A 84 -5.867 1.498 6.394 1.00 0.00 O ATOM 354 CB ILE A 84 -6.033 -1.499 6.712 1.00 0.00 C ATOM 355 CG1 ILE A 84 -5.906 -2.894 7.348 1.00 0.00 C ATOM 356 CG2 ILE A 84 -5.090 -1.314 5.512 1.00 0.00 C ATOM 357 CD1 ILE A 84 -6.250 -4.064 6.420 1.00 0.00 C ATOM 0 H ILE A 84 -7.742 0.133 8.157 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.947 -0.815 8.435 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.039 -1.375 6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.884 -3.022 7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.557 -2.939 8.221 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.308 -2.070 4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.236 -0.322 5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.056 -1.418 5.842 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.130 -5.004 6.959 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.282 -3.969 6.082 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.583 -4.053 5.558 1.00 0.00 H new ATOM 369 N ARG A 85 -4.072 1.334 7.706 1.00 0.00 N ATOM 370 CA ARG A 85 -3.389 2.455 7.060 1.00 0.00 C ATOM 371 C ARG A 85 -2.689 1.984 5.771 1.00 0.00 C ATOM 372 O ARG A 85 -1.931 1.011 5.784 1.00 0.00 O ATOM 373 CB ARG A 85 -2.397 3.111 8.033 1.00 0.00 C ATOM 374 CG ARG A 85 -1.965 4.490 7.509 1.00 0.00 C ATOM 375 CD ARG A 85 -0.806 5.066 8.334 1.00 0.00 C ATOM 376 NE ARG A 85 -0.337 6.338 7.745 1.00 0.00 N ATOM 377 CZ ARG A 85 0.873 6.907 7.845 1.00 0.00 C ATOM 378 NH1 ARG A 85 1.837 6.379 8.577 1.00 0.00 N ATOM 379 NH2 ARG A 85 1.107 8.022 7.184 1.00 0.00 N ATOM 0 H ARG A 85 -3.572 0.933 8.500 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.127 3.207 6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.857 3.216 9.016 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.523 2.472 8.157 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.663 4.406 6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.812 5.175 7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.130 5.231 9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.015 4.350 8.369 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.023 6.850 7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.672 5.512 9.088 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.746 6.838 8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.374 8.437 6.609 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.021 8.470 7.247 1.00 0.00 H new ATOM 393 N ILE A 86 -2.914 2.660 4.647 1.00 0.00 N ATOM 394 CA ILE A 86 -2.229 2.380 3.382 1.00 0.00 C ATOM 395 C ILE A 86 -0.973 3.260 3.219 1.00 0.00 C ATOM 396 O ILE A 86 -1.082 4.484 3.301 1.00 0.00 O ATOM 397 CB ILE A 86 -3.233 2.526 2.226 1.00 0.00 C ATOM 398 CG1 ILE A 86 -4.373 1.490 2.320 1.00 0.00 C ATOM 399 CG2 ILE A 86 -2.534 2.396 0.870 1.00 0.00 C ATOM 400 CD1 ILE A 86 -3.914 0.022 2.296 1.00 0.00 C ATOM 0 H ILE A 86 -3.584 3.427 4.585 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.863 1.353 3.375 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.667 3.522 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.931 1.667 3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.063 1.654 1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.267 2.503 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.777 3.175 0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.059 1.418 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.783 -0.632 2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.384 -0.178 1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.249 -0.165 3.139 1.00 0.00 H new ATOM 412 N PRO A 87 0.227 2.673 3.031 1.00 0.00 N ATOM 413 CA PRO A 87 1.408 3.424 2.624 1.00 0.00 C ATOM 414 C PRO A 87 1.177 4.232 1.342 1.00 0.00 C ATOM 415 O PRO A 87 0.590 3.731 0.384 1.00 0.00 O ATOM 416 CB PRO A 87 2.509 2.379 2.389 1.00 0.00 C ATOM 417 CG PRO A 87 2.080 1.186 3.239 1.00 0.00 C ATOM 418 CD PRO A 87 0.554 1.265 3.204 1.00 0.00 C ATOM 0 HA PRO A 87 1.673 4.149 3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 87 2.585 2.111 1.335 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.486 2.754 2.694 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.444 0.245 2.826 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.464 1.257 4.257 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.151 0.668 2.386 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.122 0.875 4.126 1.00 0.00 H new ATOM 426 N SER A 88 1.738 5.438 1.287 1.00 0.00 N ATOM 427 CA SER A 88 2.061 6.144 0.050 1.00 0.00 C ATOM 428 C SER A 88 2.543 5.168 -1.026 1.00 0.00 C ATOM 429 O SER A 88 1.994 5.110 -2.118 1.00 0.00 O ATOM 430 CB SER A 88 3.166 7.158 0.388 1.00 0.00 C ATOM 431 OG SER A 88 4.069 6.580 1.326 1.00 0.00 O ATOM 0 H SER A 88 1.987 5.965 2.124 1.00 0.00 H new ATOM 0 HA SER A 88 1.178 6.646 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.700 7.446 -0.518 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.727 8.066 0.801 1.00 0.00 H new ATOM 0 HG SER A 88 4.785 6.113 0.846 1.00 0.00 H new ATOM 437 N ASP A 89 3.515 4.334 -0.688 1.00 0.00 N ATOM 438 CA ASP A 89 4.159 3.400 -1.590 1.00 0.00 C ATOM 439 C ASP A 89 3.300 2.188 -2.026 1.00 0.00 C ATOM 440 O ASP A 89 3.778 1.319 -2.752 1.00 0.00 O ATOM 441 CB ASP A 89 5.451 2.975 -0.904 1.00 0.00 C ATOM 442 CG ASP A 89 6.365 4.134 -0.592 1.00 0.00 C ATOM 443 OD1 ASP A 89 5.954 5.000 0.208 1.00 0.00 O ATOM 444 OD2 ASP A 89 7.467 4.152 -1.169 1.00 0.00 O ATOM 0 H ASP A 89 3.889 4.290 0.260 1.00 0.00 H new ATOM 0 HA ASP A 89 4.340 3.902 -2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.209 2.452 0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.978 2.266 -1.543 1.00 0.00 H new ATOM 449 N ILE A 90 2.033 2.106 -1.611 1.00 0.00 N ATOM 450 CA ILE A 90 1.013 1.343 -2.341 1.00 0.00 C ATOM 451 C ILE A 90 0.433 2.223 -3.452 1.00 0.00 C ATOM 452 O ILE A 90 0.302 1.814 -4.599 1.00 0.00 O ATOM 453 CB ILE A 90 -0.121 0.933 -1.384 1.00 0.00 C ATOM 454 CG1 ILE A 90 0.319 -0.097 -0.333 1.00 0.00 C ATOM 455 CG2 ILE A 90 -1.375 0.449 -2.125 1.00 0.00 C ATOM 456 CD1 ILE A 90 0.542 -1.502 -0.887 1.00 0.00 C ATOM 0 H ILE A 90 1.686 2.562 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 90 1.468 0.448 -2.766 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.383 1.847 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.242 0.248 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.436 -0.144 0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.142 0.173 -1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.751 1.248 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.124 -0.418 -2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.850 -2.167 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.385 -1.871 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 90 1.320 -1.473 -1.650 1.00 0.00 H new ATOM 468 N ILE A 91 0.028 3.433 -3.080 1.00 0.00 N ATOM 469 CA ILE A 91 -0.727 4.357 -3.917 1.00 0.00 C ATOM 470 C ILE A 91 0.126 4.793 -5.128 1.00 0.00 C ATOM 471 O ILE A 91 -0.325 4.709 -6.268 1.00 0.00 O ATOM 472 CB ILE A 91 -1.171 5.513 -2.986 1.00 0.00 C ATOM 473 CG1 ILE A 91 -2.093 4.970 -1.871 1.00 0.00 C ATOM 474 CG2 ILE A 91 -1.864 6.663 -3.718 1.00 0.00 C ATOM 475 CD1 ILE A 91 -2.219 5.902 -0.662 1.00 0.00 C ATOM 0 H ILE A 91 0.224 3.810 -2.153 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.616 3.909 -4.361 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.258 5.926 -2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.085 4.794 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.712 4.005 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.145 7.434 -3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.184 7.086 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.757 6.290 -4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.882 5.452 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.235 6.059 -0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.630 6.860 -0.982 1.00 0.00 H new ATOM 487 N GLU A 92 1.386 5.161 -4.865 1.00 0.00 N ATOM 488 CA GLU A 92 2.501 5.390 -5.797 1.00 0.00 C ATOM 489 C GLU A 92 2.519 4.404 -6.984 1.00 0.00 C ATOM 490 O GLU A 92 2.843 4.759 -8.115 1.00 0.00 O ATOM 491 CB GLU A 92 3.790 5.290 -4.956 1.00 0.00 C ATOM 492 CG GLU A 92 5.050 5.958 -5.540 1.00 0.00 C ATOM 493 CD GLU A 92 5.791 5.171 -6.603 1.00 0.00 C ATOM 494 OE1 GLU A 92 6.266 4.059 -6.275 1.00 0.00 O ATOM 495 OE2 GLU A 92 5.916 5.678 -7.738 1.00 0.00 O ATOM 0 H GLU A 92 1.680 5.322 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 92 2.399 6.370 -6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.594 5.730 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.009 4.235 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.763 6.920 -5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.740 6.163 -4.722 1.00 0.00 H new ATOM 502 N ASP A 93 2.165 3.147 -6.714 1.00 0.00 N ATOM 503 CA ASP A 93 1.986 2.086 -7.694 1.00 0.00 C ATOM 504 C ASP A 93 0.538 1.979 -8.215 1.00 0.00 C ATOM 505 O ASP A 93 0.262 2.165 -9.402 1.00 0.00 O ATOM 506 CB ASP A 93 2.508 0.809 -7.022 1.00 0.00 C ATOM 507 CG ASP A 93 2.491 -0.365 -7.960 1.00 0.00 C ATOM 508 OD1 ASP A 93 3.070 -0.216 -9.056 1.00 0.00 O ATOM 509 OD2 ASP A 93 1.895 -1.384 -7.567 1.00 0.00 O ATOM 0 H ASP A 93 1.988 2.831 -5.761 1.00 0.00 H new ATOM 0 HA ASP A 93 2.547 2.289 -8.606 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.525 0.975 -6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.898 0.584 -6.147 1.00 0.00 H new ATOM 514 N LEU A 94 -0.405 1.671 -7.332 1.00 0.00 N ATOM 515 CA LEU A 94 -1.787 1.350 -7.677 1.00 0.00 C ATOM 516 C LEU A 94 -2.473 2.426 -8.536 1.00 0.00 C ATOM 517 O LEU A 94 -3.084 2.127 -9.564 1.00 0.00 O ATOM 518 CB LEU A 94 -2.541 1.085 -6.367 1.00 0.00 C ATOM 519 CG LEU A 94 -3.882 0.341 -6.505 1.00 0.00 C ATOM 520 CD1 LEU A 94 -5.043 1.323 -6.397 1.00 0.00 C ATOM 521 CD2 LEU A 94 -4.076 -0.510 -7.763 1.00 0.00 C ATOM 0 H LEU A 94 -0.225 1.636 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.798 0.462 -8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.893 0.508 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.726 2.041 -5.876 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.860 -0.372 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.985 0.784 -6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.010 1.821 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.965 2.067 -7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.060 -0.979 -7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.000 0.124 -8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.307 -1.281 -7.803 1.00 0.00 H new ATOM 533 N VAL A 95 -2.320 3.697 -8.158 1.00 0.00 N ATOM 534 CA VAL A 95 -2.837 4.857 -8.899 1.00 0.00 C ATOM 535 C VAL A 95 -2.382 4.879 -10.375 1.00 0.00 C ATOM 536 O VAL A 95 -3.055 5.470 -11.219 1.00 0.00 O ATOM 537 CB VAL A 95 -2.475 6.143 -8.127 1.00 0.00 C ATOM 538 CG1 VAL A 95 -2.871 7.460 -8.803 1.00 0.00 C ATOM 539 CG2 VAL A 95 -3.191 6.137 -6.771 1.00 0.00 C ATOM 0 H VAL A 95 -1.821 3.958 -7.307 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.923 4.785 -8.959 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.387 6.118 -8.062 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.569 8.297 -8.174 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.375 7.536 -9.771 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.951 7.485 -8.946 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.938 7.044 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.269 6.097 -6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.876 5.266 -6.197 1.00 0.00 H new ATOM 549 N ASN A 96 -1.286 4.194 -10.720 1.00 0.00 N ATOM 550 CA ASN A 96 -0.832 4.029 -12.104 1.00 0.00 C ATOM 551 C ASN A 96 -1.694 3.030 -12.877 1.00 0.00 C ATOM 552 O ASN A 96 -2.047 3.274 -14.029 1.00 0.00 O ATOM 553 CB ASN A 96 0.627 3.558 -12.146 1.00 0.00 C ATOM 554 CG ASN A 96 1.506 4.386 -11.234 1.00 0.00 C ATOM 555 OD1 ASN A 96 1.229 5.546 -10.987 1.00 0.00 O ATOM 556 ND2 ASN A 96 2.542 3.794 -10.679 1.00 0.00 N ATOM 0 H ASN A 96 -0.683 3.734 -10.038 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.922 5.006 -12.578 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.680 2.510 -11.851 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.001 3.621 -13.168 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.134 4.308 -10.026 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.753 2.821 -10.902 1.00 0.00 H new ATOM 563 N GLN A 97 -2.010 1.895 -12.253 1.00 0.00 N ATOM 564 CA GLN A 97 -2.609 0.750 -12.938 1.00 0.00 C ATOM 565 C GLN A 97 -4.028 1.011 -13.476 1.00 0.00 C ATOM 566 O GLN A 97 -4.271 0.885 -14.671 1.00 0.00 O ATOM 567 CB GLN A 97 -2.574 -0.486 -12.024 1.00 0.00 C ATOM 568 CG GLN A 97 -1.203 -0.819 -11.406 1.00 0.00 C ATOM 569 CD GLN A 97 -0.110 -1.225 -12.392 1.00 0.00 C ATOM 570 OE1 GLN A 97 -0.170 -0.973 -13.585 1.00 0.00 O ATOM 571 NE2 GLN A 97 0.935 -1.870 -11.910 1.00 0.00 N ATOM 0 H GLN A 97 -1.857 1.744 -11.256 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.001 0.566 -13.824 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.290 -0.338 -11.216 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.913 -1.349 -12.597 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.857 0.050 -10.847 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.336 -1.628 -10.687 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.988 -2.082 -10.914 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.690 -2.157 -12.534 1.00 0.00 H new ATOM 580 N ARG A 98 -4.962 1.363 -12.587 1.00 0.00 N ATOM 581 CA ARG A 98 -6.404 1.440 -12.865 1.00 0.00 C ATOM 582 C ARG A 98 -6.990 0.072 -13.260 1.00 0.00 C ATOM 583 O ARG A 98 -7.191 -0.222 -14.437 1.00 0.00 O ATOM 584 CB ARG A 98 -6.765 2.510 -13.914 1.00 0.00 C ATOM 585 CG ARG A 98 -6.447 3.951 -13.500 1.00 0.00 C ATOM 586 CD ARG A 98 -4.968 4.290 -13.683 1.00 0.00 C ATOM 587 NE ARG A 98 -4.736 5.738 -13.540 1.00 0.00 N ATOM 588 CZ ARG A 98 -3.639 6.396 -13.923 1.00 0.00 C ATOM 589 NH1 ARG A 98 -2.696 5.805 -14.626 1.00 0.00 N ATOM 590 NH2 ARG A 98 -3.448 7.670 -13.636 1.00 0.00 N ATOM 0 H ARG A 98 -4.731 1.610 -11.625 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.863 1.750 -11.926 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.232 2.287 -14.838 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.830 2.437 -14.135 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.052 4.639 -14.091 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.725 4.097 -12.456 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.373 3.749 -12.947 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.635 3.960 -14.667 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.480 6.287 -13.110 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.795 4.825 -14.889 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.867 6.328 -14.908 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.151 8.184 -13.105 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.597 8.140 -13.945 1.00 0.00 H new ATOM 604 N LEU A 99 -7.278 -0.762 -12.261 1.00 0.00 N ATOM 605 CA LEU A 99 -7.966 -2.036 -12.462 1.00 0.00 C ATOM 606 C LEU A 99 -9.467 -1.817 -12.748 1.00 0.00 C ATOM 607 O LEU A 99 -9.946 -0.685 -12.731 1.00 0.00 O ATOM 608 CB LEU A 99 -7.692 -2.950 -11.259 1.00 0.00 C ATOM 609 CG LEU A 99 -6.203 -2.976 -10.852 1.00 0.00 C ATOM 610 CD1 LEU A 99 -5.999 -3.990 -9.731 1.00 0.00 C ATOM 611 CD2 LEU A 99 -5.285 -3.363 -12.020 1.00 0.00 C ATOM 0 H LEU A 99 -7.040 -0.572 -11.287 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.577 -2.539 -13.347 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.290 -2.615 -10.411 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.016 -3.963 -11.497 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.942 -1.968 -10.528 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.948 -4.008 -9.444 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.605 -3.708 -8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.298 -4.980 -10.077 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.249 -3.367 -11.682 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.553 -4.356 -12.380 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.401 -2.641 -12.828 1.00 0.00 H new ATOM 623 N GLN A 100 -10.210 -2.882 -13.042 1.00 0.00 N ATOM 624 CA GLN A 100 -11.619 -2.797 -13.426 1.00 0.00 C ATOM 625 C GLN A 100 -12.520 -2.568 -12.204 1.00 0.00 C ATOM 626 O GLN A 100 -13.447 -1.761 -12.245 1.00 0.00 O ATOM 627 CB GLN A 100 -12.066 -4.079 -14.152 1.00 0.00 C ATOM 628 CG GLN A 100 -11.023 -4.685 -15.105 1.00 0.00 C ATOM 629 CD GLN A 100 -11.509 -5.991 -15.721 1.00 0.00 C ATOM 630 OE1 GLN A 100 -11.654 -6.106 -16.931 1.00 0.00 O ATOM 631 NE2 GLN A 100 -11.764 -7.005 -14.913 1.00 0.00 N ATOM 0 H GLN A 100 -9.849 -3.836 -13.021 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.718 -1.946 -14.100 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.331 -4.827 -13.405 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.970 -3.860 -14.720 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.797 -3.972 -15.897 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.095 -4.863 -14.562 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.640 -6.899 -13.906 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.085 -7.894 -15.296 1.00 0.00 H new ATOM 640 N SER A 101 -12.290 -3.350 -11.145 1.00 0.00 N ATOM 641 CA SER A 101 -13.211 -3.482 -10.013 1.00 0.00 C ATOM 642 C SER A 101 -12.652 -3.002 -8.665 1.00 0.00 C ATOM 643 O SER A 101 -11.477 -3.179 -8.340 1.00 0.00 O ATOM 644 CB SER A 101 -13.648 -4.946 -9.914 1.00 0.00 C ATOM 645 OG SER A 101 -14.495 -5.149 -8.789 1.00 0.00 O ATOM 0 H SER A 101 -11.447 -3.917 -11.049 1.00 0.00 H new ATOM 0 HA SER A 101 -14.054 -2.822 -10.215 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.172 -5.236 -10.825 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.770 -5.587 -9.833 1.00 0.00 H new ATOM 0 HG SER A 101 -14.763 -6.091 -8.747 1.00 0.00 H new ATOM 651 N GLU A 102 -13.556 -2.494 -7.824 1.00 0.00 N ATOM 652 CA GLU A 102 -13.379 -2.326 -6.379 1.00 0.00 C ATOM 653 C GLU A 102 -12.701 -3.569 -5.761 1.00 0.00 C ATOM 654 O GLU A 102 -11.654 -3.496 -5.119 1.00 0.00 O ATOM 655 CB GLU A 102 -14.781 -2.015 -5.809 1.00 0.00 C ATOM 656 CG GLU A 102 -14.807 -1.299 -4.441 1.00 0.00 C ATOM 657 CD GLU A 102 -14.917 -2.180 -3.203 1.00 0.00 C ATOM 658 OE1 GLU A 102 -15.064 -3.413 -3.351 1.00 0.00 O ATOM 659 OE2 GLU A 102 -14.949 -1.583 -2.105 1.00 0.00 O ATOM 0 H GLU A 102 -14.470 -2.175 -8.145 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.706 -1.506 -6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -15.317 -1.399 -6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -15.331 -2.951 -5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.899 -0.703 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.646 -0.604 -4.438 1.00 0.00 H new ATOM 666 N GLN A 103 -13.209 -4.755 -6.106 1.00 0.00 N ATOM 667 CA GLN A 103 -12.651 -6.025 -5.654 1.00 0.00 C ATOM 668 C GLN A 103 -11.194 -6.228 -6.107 1.00 0.00 C ATOM 669 O GLN A 103 -10.356 -6.734 -5.359 1.00 0.00 O ATOM 670 CB GLN A 103 -13.562 -7.164 -6.143 1.00 0.00 C ATOM 671 CG GLN A 103 -13.287 -8.512 -5.448 1.00 0.00 C ATOM 672 CD GLN A 103 -13.520 -8.521 -3.940 1.00 0.00 C ATOM 673 OE1 GLN A 103 -12.950 -9.330 -3.213 1.00 0.00 O ATOM 674 NE2 GLN A 103 -14.349 -7.632 -3.429 1.00 0.00 N ATOM 0 H GLN A 103 -14.024 -4.858 -6.711 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.618 -6.023 -4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -14.602 -6.884 -5.976 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.433 -7.286 -7.218 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.921 -9.274 -5.903 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.254 -8.799 -5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.819 -6.963 -4.039 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -14.520 -7.613 -2.424 1.00 0.00 H new ATOM 683 N GLU A 104 -10.892 -5.853 -7.344 1.00 0.00 N ATOM 684 CA GLU A 104 -9.559 -6.004 -7.912 1.00 0.00 C ATOM 685 C GLU A 104 -8.552 -5.080 -7.229 1.00 0.00 C ATOM 686 O GLU A 104 -7.469 -5.532 -6.860 1.00 0.00 O ATOM 687 CB GLU A 104 -9.602 -5.741 -9.411 1.00 0.00 C ATOM 688 CG GLU A 104 -10.362 -6.848 -10.161 1.00 0.00 C ATOM 689 CD GLU A 104 -10.770 -6.390 -11.550 1.00 0.00 C ATOM 690 OE1 GLU A 104 -10.270 -5.325 -11.966 1.00 0.00 O ATOM 691 OE2 GLU A 104 -11.642 -7.052 -12.142 1.00 0.00 O ATOM 0 H GLU A 104 -11.567 -5.434 -7.983 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.229 -7.028 -7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.081 -4.780 -9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.585 -5.671 -9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.734 -7.736 -10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.248 -7.132 -9.594 1.00 0.00 H new ATOM 698 N VAL A 105 -8.886 -3.804 -7.018 1.00 0.00 N ATOM 699 CA VAL A 105 -7.950 -2.934 -6.308 1.00 0.00 C ATOM 700 C VAL A 105 -7.747 -3.393 -4.866 1.00 0.00 C ATOM 701 O VAL A 105 -6.608 -3.401 -4.413 1.00 0.00 O ATOM 702 CB VAL A 105 -8.212 -1.429 -6.462 1.00 0.00 C ATOM 703 CG1 VAL A 105 -8.129 -1.007 -7.934 1.00 0.00 C ATOM 704 CG2 VAL A 105 -9.553 -0.965 -5.908 1.00 0.00 C ATOM 0 H VAL A 105 -9.758 -3.366 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.992 -3.053 -6.814 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.430 -0.952 -5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.318 0.063 -8.017 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.135 -1.231 -8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.875 -1.553 -8.512 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.656 0.110 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.360 -1.483 -6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.604 -1.189 -4.843 1.00 0.00 H new ATOM 714 N LEU A 106 -8.776 -3.878 -4.159 1.00 0.00 N ATOM 715 CA LEU A 106 -8.496 -4.446 -2.833 1.00 0.00 C ATOM 716 C LEU A 106 -7.644 -5.728 -2.884 1.00 0.00 C ATOM 717 O LEU A 106 -6.760 -5.912 -2.046 1.00 0.00 O ATOM 718 CB LEU A 106 -9.718 -4.502 -1.905 1.00 0.00 C ATOM 719 CG LEU A 106 -10.893 -5.359 -2.363 1.00 0.00 C ATOM 720 CD1 LEU A 106 -10.651 -6.839 -2.106 1.00 0.00 C ATOM 721 CD2 LEU A 106 -12.153 -4.969 -1.586 1.00 0.00 C ATOM 0 H LEU A 106 -9.751 -3.891 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.847 -3.724 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.389 -4.869 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.078 -3.484 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.010 -5.188 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.512 -7.413 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.762 -7.162 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.505 -7.004 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.990 -5.584 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.986 -5.126 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.381 -3.919 -1.767 1.00 0.00 H new ATOM 733 N ASN A 107 -7.830 -6.597 -3.886 1.00 0.00 N ATOM 734 CA ASN A 107 -6.945 -7.749 -4.106 1.00 0.00 C ATOM 735 C ASN A 107 -5.487 -7.309 -4.328 1.00 0.00 C ATOM 736 O ASN A 107 -4.577 -7.718 -3.600 1.00 0.00 O ATOM 737 CB ASN A 107 -7.433 -8.583 -5.304 1.00 0.00 C ATOM 738 CG ASN A 107 -8.685 -9.401 -5.018 1.00 0.00 C ATOM 739 OD1 ASN A 107 -8.840 -9.974 -3.942 1.00 0.00 O ATOM 740 ND2 ASN A 107 -9.590 -9.509 -5.973 1.00 0.00 N ATOM 0 H ASN A 107 -8.591 -6.523 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.978 -8.364 -3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.631 -7.915 -6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.634 -9.256 -5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.427 -10.072 -5.821 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.452 -9.030 -6.863 1.00 0.00 H new ATOM 747 N TYR A 108 -5.272 -6.467 -5.336 1.00 0.00 N ATOM 748 CA TYR A 108 -3.978 -5.901 -5.685 1.00 0.00 C ATOM 749 C TYR A 108 -3.317 -5.227 -4.479 1.00 0.00 C ATOM 750 O TYR A 108 -2.199 -5.566 -4.102 1.00 0.00 O ATOM 751 CB TYR A 108 -4.182 -4.915 -6.834 1.00 0.00 C ATOM 752 CG TYR A 108 -2.897 -4.388 -7.434 1.00 0.00 C ATOM 753 CD1 TYR A 108 -2.222 -3.303 -6.840 1.00 0.00 C ATOM 754 CD2 TYR A 108 -2.408 -4.946 -8.628 1.00 0.00 C ATOM 755 CE1 TYR A 108 -1.087 -2.756 -7.462 1.00 0.00 C ATOM 756 CE2 TYR A 108 -1.271 -4.400 -9.241 1.00 0.00 C ATOM 757 CZ TYR A 108 -0.614 -3.308 -8.660 1.00 0.00 C ATOM 758 OH TYR A 108 0.490 -2.818 -9.275 1.00 0.00 O ATOM 0 H TYR A 108 -6.022 -6.151 -5.951 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.302 -6.697 -5.999 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.763 -5.402 -7.617 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.774 -4.073 -6.475 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.577 -2.892 -5.907 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.907 -5.794 -9.073 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.580 -1.912 -7.018 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.901 -4.823 -10.163 1.00 0.00 H new ATOM 0 HH TYR A 108 0.870 -2.093 -8.736 1.00 0.00 H new ATOM 768 N ILE A 109 -4.015 -4.299 -3.831 1.00 0.00 N ATOM 769 CA ILE A 109 -3.509 -3.605 -2.654 1.00 0.00 C ATOM 770 C ILE A 109 -3.164 -4.584 -1.517 1.00 0.00 C ATOM 771 O ILE A 109 -2.081 -4.491 -0.951 1.00 0.00 O ATOM 772 CB ILE A 109 -4.499 -2.533 -2.194 1.00 0.00 C ATOM 773 CG1 ILE A 109 -4.588 -1.391 -3.212 1.00 0.00 C ATOM 774 CG2 ILE A 109 -4.059 -1.979 -0.834 1.00 0.00 C ATOM 775 CD1 ILE A 109 -5.773 -0.476 -2.899 1.00 0.00 C ATOM 0 H ILE A 109 -4.952 -4.007 -4.110 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.580 -3.108 -2.933 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.485 -2.990 -2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -3.664 -0.814 -3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -4.694 -1.801 -4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -4.765 -1.215 -0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -4.034 -2.787 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.065 -1.540 -0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.817 0.327 -3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.697 -1.052 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.651 -0.050 -1.903 1.00 0.00 H new ATOM 787 N GLU A 110 -4.029 -5.546 -1.161 1.00 0.00 N ATOM 788 CA GLU A 110 -3.649 -6.592 -0.201 1.00 0.00 C ATOM 789 C GLU A 110 -2.335 -7.312 -0.611 1.00 0.00 C ATOM 790 O GLU A 110 -1.460 -7.564 0.228 1.00 0.00 O ATOM 791 CB GLU A 110 -4.806 -7.588 0.029 1.00 0.00 C ATOM 792 CG GLU A 110 -5.931 -7.098 0.972 1.00 0.00 C ATOM 793 CD GLU A 110 -6.654 -8.242 1.668 1.00 0.00 C ATOM 794 OE1 GLU A 110 -7.565 -8.863 1.071 1.00 0.00 O ATOM 795 OE2 GLU A 110 -6.291 -8.550 2.822 1.00 0.00 O ATOM 0 H GLU A 110 -4.982 -5.621 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.448 -6.100 0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.247 -7.834 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.392 -8.511 0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.506 -6.432 1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.651 -6.514 0.399 1.00 0.00 H new ATOM 802 N THR A 111 -2.171 -7.609 -1.902 1.00 0.00 N ATOM 803 CA THR A 111 -0.934 -8.184 -2.452 1.00 0.00 C ATOM 804 C THR A 111 0.275 -7.250 -2.267 1.00 0.00 C ATOM 805 O THR A 111 1.235 -7.605 -1.585 1.00 0.00 O ATOM 806 CB THR A 111 -1.127 -8.604 -3.919 1.00 0.00 C ATOM 807 OG1 THR A 111 -2.301 -9.383 -4.026 1.00 0.00 O ATOM 808 CG2 THR A 111 0.038 -9.465 -4.408 1.00 0.00 C ATOM 0 H THR A 111 -2.896 -7.457 -2.603 1.00 0.00 H new ATOM 0 HA THR A 111 -0.709 -9.085 -1.881 1.00 0.00 H new ATOM 0 HB THR A 111 -1.188 -7.697 -4.521 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.087 -8.800 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.128 -9.745 -5.448 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.967 -8.900 -4.329 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.107 -10.365 -3.796 1.00 0.00 H new ATOM 816 N GLN A 112 0.219 -6.017 -2.771 1.00 0.00 N ATOM 817 CA GLN A 112 1.274 -5.031 -2.573 1.00 0.00 C ATOM 818 C GLN A 112 1.501 -4.687 -1.083 1.00 0.00 C ATOM 819 O GLN A 112 2.589 -4.298 -0.679 1.00 0.00 O ATOM 820 CB GLN A 112 0.999 -3.798 -3.446 1.00 0.00 C ATOM 821 CG GLN A 112 0.932 -4.086 -4.953 1.00 0.00 C ATOM 822 CD GLN A 112 2.280 -4.483 -5.530 1.00 0.00 C ATOM 823 OE1 GLN A 112 2.782 -5.567 -5.271 1.00 0.00 O ATOM 824 NE2 GLN A 112 2.905 -3.611 -6.291 1.00 0.00 N ATOM 0 H GLN A 112 -0.563 -5.676 -3.330 1.00 0.00 H new ATOM 0 HA GLN A 112 2.219 -5.467 -2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.056 -3.350 -3.132 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.779 -3.059 -3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.213 -4.885 -5.135 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.564 -3.201 -5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.472 -2.711 -6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.823 -3.835 -6.675 1.00 0.00 H new ATOM 833 N ARG A 113 0.503 -4.883 -0.218 1.00 0.00 N ATOM 834 CA ARG A 113 0.634 -4.784 1.237 1.00 0.00 C ATOM 835 C ARG A 113 1.321 -6.020 1.855 1.00 0.00 C ATOM 836 O ARG A 113 1.840 -6.004 2.976 1.00 0.00 O ATOM 837 CB ARG A 113 -0.750 -4.513 1.835 1.00 0.00 C ATOM 838 CG ARG A 113 -0.636 -4.035 3.282 1.00 0.00 C ATOM 839 CD ARG A 113 -1.957 -3.412 3.758 1.00 0.00 C ATOM 840 NE ARG A 113 -1.685 -2.423 4.822 1.00 0.00 N ATOM 841 CZ ARG A 113 -2.010 -2.453 6.114 1.00 0.00 C ATOM 842 NH1 ARG A 113 -2.554 -3.500 6.704 1.00 0.00 N ATOM 843 NH2 ARG A 113 -1.738 -1.411 6.862 1.00 0.00 N ATOM 0 H ARG A 113 -0.442 -5.121 -0.518 1.00 0.00 H new ATOM 0 HA ARG A 113 1.294 -3.951 1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.267 -3.761 1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -1.352 -5.421 1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.371 -4.873 3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.167 -3.303 3.365 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.466 -2.931 2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.623 -4.189 4.132 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.172 -1.594 4.523 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.747 -4.345 6.167 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.781 -3.464 7.698 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -1.284 -0.594 6.453 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.980 -1.417 7.853 1.00 0.00 H new ATOM 857 N THR A 114 1.301 -7.137 1.140 1.00 0.00 N ATOM 858 CA THR A 114 2.172 -8.291 1.372 1.00 0.00 C ATOM 859 C THR A 114 3.628 -8.029 0.960 1.00 0.00 C ATOM 860 O THR A 114 4.511 -8.238 1.792 1.00 0.00 O ATOM 861 CB THR A 114 1.539 -9.575 0.824 1.00 0.00 C ATOM 862 OG1 THR A 114 0.272 -9.675 1.450 1.00 0.00 O ATOM 863 CG2 THR A 114 2.359 -10.820 1.164 1.00 0.00 C ATOM 0 H THR A 114 0.660 -7.273 0.358 1.00 0.00 H new ATOM 0 HA THR A 114 2.254 -8.457 2.446 1.00 0.00 H new ATOM 0 HB THR A 114 1.481 -9.525 -0.263 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.340 -9.018 1.057 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.868 -11.702 0.753 1.00 0.00 H new ATOM 0 HG22 THR A 114 3.357 -10.727 0.735 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.438 -10.919 2.247 1.00 0.00 H new ATOM 871 N TYR A 115 3.880 -7.468 -0.226 1.00 0.00 N ATOM 872 CA TYR A 115 5.182 -6.846 -0.530 1.00 0.00 C ATOM 873 C TYR A 115 5.616 -5.910 0.608 1.00 0.00 C ATOM 874 O TYR A 115 6.596 -6.176 1.296 1.00 0.00 O ATOM 875 CB TYR A 115 5.128 -6.134 -1.896 1.00 0.00 C ATOM 876 CG TYR A 115 6.106 -4.986 -2.129 1.00 0.00 C ATOM 877 CD1 TYR A 115 7.471 -5.249 -2.355 1.00 0.00 C ATOM 878 CD2 TYR A 115 5.631 -3.662 -2.255 1.00 0.00 C ATOM 879 CE1 TYR A 115 8.338 -4.206 -2.732 1.00 0.00 C ATOM 880 CE2 TYR A 115 6.506 -2.621 -2.615 1.00 0.00 C ATOM 881 CZ TYR A 115 7.858 -2.892 -2.858 1.00 0.00 C ATOM 882 OH TYR A 115 8.700 -1.905 -3.259 1.00 0.00 O ATOM 0 H TYR A 115 3.207 -7.429 -0.991 1.00 0.00 H new ATOM 0 HA TYR A 115 5.943 -7.623 -0.603 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.295 -6.881 -2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.118 -5.749 -2.036 1.00 0.00 H new ATOM 0 HD1 TYR A 115 7.853 -6.252 -2.239 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.588 -3.447 -2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.379 -4.418 -2.926 1.00 0.00 H new ATOM 0 HE2 TYR A 115 6.134 -1.611 -2.704 1.00 0.00 H new ATOM 0 HH TYR A 115 8.288 -1.402 -3.992 1.00 0.00 H new ATOM 892 N TRP A 116 4.842 -4.867 0.900 1.00 0.00 N ATOM 893 CA TRP A 116 5.208 -3.908 1.933 1.00 0.00 C ATOM 894 C TRP A 116 5.520 -4.523 3.304 1.00 0.00 C ATOM 895 O TRP A 116 6.545 -4.203 3.906 1.00 0.00 O ATOM 896 CB TRP A 116 4.205 -2.744 1.980 1.00 0.00 C ATOM 897 CG TRP A 116 4.680 -1.604 1.143 1.00 0.00 C ATOM 898 CD1 TRP A 116 4.137 -1.128 0.000 1.00 0.00 C ATOM 899 CD2 TRP A 116 5.959 -0.939 1.289 1.00 0.00 C ATOM 900 NE1 TRP A 116 5.013 -0.234 -0.582 1.00 0.00 N ATOM 901 CE2 TRP A 116 6.181 -0.122 0.149 1.00 0.00 C ATOM 902 CE3 TRP A 116 6.989 -1.031 2.245 1.00 0.00 C ATOM 903 CZ2 TRP A 116 7.387 0.569 -0.031 1.00 0.00 C ATOM 904 CZ3 TRP A 116 8.214 -0.383 2.045 1.00 0.00 C ATOM 905 CH2 TRP A 116 8.396 0.450 0.932 1.00 0.00 C ATOM 0 H TRP A 116 3.957 -4.667 0.434 1.00 0.00 H new ATOM 0 HA TRP A 116 6.172 -3.493 1.638 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.232 -3.082 1.624 1.00 0.00 H new ATOM 0 HB3 TRP A 116 4.071 -2.414 3.010 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.170 -1.404 -0.395 1.00 0.00 H new ATOM 0 HE1 TRP A 116 4.823 0.279 -1.443 1.00 0.00 H new ATOM 0 HE3 TRP A 116 6.832 -1.609 3.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 7.536 1.187 -0.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 9.020 -0.525 2.749 1.00 0.00 H new ATOM 0 HH2 TRP A 116 9.317 1.002 0.817 1.00 0.00 H new ATOM 916 N LYS A 117 4.694 -5.448 3.808 1.00 0.00 N ATOM 917 CA LYS A 117 5.077 -6.140 5.039 1.00 0.00 C ATOM 918 C LYS A 117 6.430 -6.879 4.907 1.00 0.00 C ATOM 919 O LYS A 117 7.251 -6.810 5.821 1.00 0.00 O ATOM 920 CB LYS A 117 3.917 -6.974 5.623 1.00 0.00 C ATOM 921 CG LYS A 117 3.861 -8.449 5.198 1.00 0.00 C ATOM 922 CD LYS A 117 2.680 -9.177 5.872 1.00 0.00 C ATOM 923 CE LYS A 117 1.438 -9.370 4.985 1.00 0.00 C ATOM 924 NZ LYS A 117 0.817 -8.099 4.546 1.00 0.00 N ATOM 0 H LYS A 117 3.799 -5.724 3.405 1.00 0.00 H new ATOM 0 HA LYS A 117 5.270 -5.384 5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.979 -6.933 6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.977 -6.500 5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.762 -8.515 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.796 -8.943 5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.022 -10.156 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.389 -8.618 6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.717 -9.951 4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.699 -9.955 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.040 -8.302 3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.444 -7.591 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.530 -7.510 4.070 1.00 0.00 H new ATOM 938 N LEU A 118 6.712 -7.520 3.764 1.00 0.00 N ATOM 939 CA LEU A 118 8.034 -8.098 3.499 1.00 0.00 C ATOM 940 C LEU A 118 9.154 -7.040 3.465 1.00 0.00 C ATOM 941 O LEU A 118 10.171 -7.208 4.135 1.00 0.00 O ATOM 942 CB LEU A 118 8.016 -8.970 2.233 1.00 0.00 C ATOM 943 CG LEU A 118 7.231 -10.278 2.434 1.00 0.00 C ATOM 944 CD1 LEU A 118 6.847 -10.848 1.064 1.00 0.00 C ATOM 945 CD2 LEU A 118 8.062 -11.324 3.186 1.00 0.00 C ATOM 0 H LEU A 118 6.040 -7.651 3.008 1.00 0.00 H new ATOM 0 HA LEU A 118 8.270 -8.748 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.573 -8.406 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 118 9.040 -9.205 1.942 1.00 0.00 H new ATOM 0 HG LEU A 118 6.343 -10.052 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 118 6.290 -11.775 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.227 -10.127 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.750 -11.048 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.475 -12.234 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.965 -11.548 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.337 -10.934 4.166 1.00 0.00 H new ATOM 957 N GLU A 119 8.997 -5.916 2.767 1.00 0.00 N ATOM 958 CA GLU A 119 9.972 -4.819 2.798 1.00 0.00 C ATOM 959 C GLU A 119 10.195 -4.274 4.218 1.00 0.00 C ATOM 960 O GLU A 119 11.306 -3.924 4.619 1.00 0.00 O ATOM 961 CB GLU A 119 9.540 -3.703 1.841 1.00 0.00 C ATOM 962 CG GLU A 119 9.353 -4.198 0.399 1.00 0.00 C ATOM 963 CD GLU A 119 10.477 -5.089 -0.084 1.00 0.00 C ATOM 964 OE1 GLU A 119 11.606 -4.599 -0.281 1.00 0.00 O ATOM 965 OE2 GLU A 119 10.276 -6.312 -0.218 1.00 0.00 O ATOM 0 H GLU A 119 8.194 -5.737 2.165 1.00 0.00 H new ATOM 0 HA GLU A 119 10.929 -5.220 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.606 -3.268 2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.287 -2.909 1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.412 -4.744 0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.272 -3.337 -0.265 1.00 0.00 H new ATOM 972 N ASN A 120 9.157 -4.274 5.050 1.00 0.00 N ATOM 973 CA ASN A 120 9.264 -3.934 6.467 1.00 0.00 C ATOM 974 C ASN A 120 9.951 -5.025 7.327 1.00 0.00 C ATOM 975 O ASN A 120 10.247 -4.802 8.506 1.00 0.00 O ATOM 976 CB ASN A 120 7.873 -3.613 7.015 1.00 0.00 C ATOM 977 CG ASN A 120 7.084 -2.541 6.276 1.00 0.00 C ATOM 978 OD1 ASN A 120 5.863 -2.548 6.308 1.00 0.00 O ATOM 979 ND2 ASN A 120 7.738 -1.590 5.630 1.00 0.00 N ATOM 0 H ASN A 120 8.209 -4.512 4.758 1.00 0.00 H new ATOM 0 HA ASN A 120 9.913 -3.061 6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.285 -4.531 7.014 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.979 -3.303 8.055 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.223 -0.851 5.151 1.00 0.00 H new ATOM 0 HD22 ASN A 120 8.758 -1.595 5.611 1.00 0.00 H new ATOM 986 N GLN A 121 10.198 -6.206 6.754 1.00 0.00 N ATOM 987 CA GLN A 121 10.704 -7.415 7.417 1.00 0.00 C ATOM 988 C GLN A 121 12.129 -7.810 6.978 1.00 0.00 C ATOM 989 O GLN A 121 12.942 -8.206 7.807 1.00 0.00 O ATOM 990 CB GLN A 121 9.691 -8.529 7.128 1.00 0.00 C ATOM 991 CG GLN A 121 9.902 -9.831 7.906 1.00 0.00 C ATOM 992 CD GLN A 121 8.709 -10.751 7.681 1.00 0.00 C ATOM 993 OE1 GLN A 121 7.697 -10.633 8.355 1.00 0.00 O ATOM 994 NE2 GLN A 121 8.776 -11.640 6.705 1.00 0.00 N ATOM 0 H GLN A 121 10.042 -6.354 5.757 1.00 0.00 H new ATOM 0 HA GLN A 121 10.798 -7.230 8.487 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.692 -8.153 7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.720 -8.755 6.062 1.00 0.00 H new ATOM 0 HG2 GLN A 121 10.820 -10.320 7.578 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.017 -9.618 8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 121 9.628 -11.726 6.151 1.00 0.00 H new ATOM 0 HE22 GLN A 121 7.975 -12.240 6.506 1.00 0.00 H new ATOM 1003 N LYS A 122 12.445 -7.703 5.684 1.00 0.00 N ATOM 1004 CA LYS A 122 13.714 -8.096 5.065 1.00 0.00 C ATOM 1005 C LYS A 122 14.979 -7.698 5.864 1.00 0.00 C ATOM 1006 O LYS A 122 15.065 -6.601 6.421 1.00 0.00 O ATOM 1007 CB LYS A 122 13.776 -7.448 3.675 1.00 0.00 C ATOM 1008 CG LYS A 122 13.093 -8.195 2.519 1.00 0.00 C ATOM 1009 CD LYS A 122 13.259 -7.311 1.271 1.00 0.00 C ATOM 1010 CE LYS A 122 12.782 -7.947 -0.042 1.00 0.00 C ATOM 1011 NZ LYS A 122 12.751 -6.931 -1.120 1.00 0.00 N ATOM 0 H LYS A 122 11.788 -7.320 5.005 1.00 0.00 H new ATOM 0 HA LYS A 122 13.724 -9.185 5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 122 13.331 -6.456 3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 122 14.825 -7.309 3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 122 13.549 -9.173 2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 122 12.039 -8.366 2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 122 12.711 -6.382 1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 122 14.312 -7.047 1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 122 13.447 -8.764 -0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 122 11.789 -8.376 0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 11.764 -6.709 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 13.232 -6.067 -0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 13.236 -7.303 -1.962 1.00 0.00 H new ATOM 1025 N LYS A 123 15.990 -8.573 5.845 1.00 0.00 N ATOM 1026 CA LYS A 123 17.321 -8.345 6.419 1.00 0.00 C ATOM 1027 C LYS A 123 18.056 -7.122 5.837 1.00 0.00 C ATOM 1028 O LYS A 123 18.088 -6.947 4.620 1.00 0.00 O ATOM 1029 CB LYS A 123 18.170 -9.625 6.255 1.00 0.00 C ATOM 1030 CG LYS A 123 18.411 -10.085 4.801 1.00 0.00 C ATOM 1031 CD LYS A 123 19.683 -9.480 4.166 1.00 0.00 C ATOM 1032 CE LYS A 123 19.558 -9.223 2.654 1.00 0.00 C ATOM 1033 NZ LYS A 123 18.463 -8.277 2.334 1.00 0.00 N ATOM 0 H LYS A 123 15.901 -9.493 5.414 1.00 0.00 H new ATOM 0 HA LYS A 123 17.177 -8.115 7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 123 19.137 -9.461 6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.682 -10.435 6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 123 18.486 -11.172 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 123 17.547 -9.813 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 123 19.917 -8.541 4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 123 20.522 -10.153 4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 123 20.500 -8.826 2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 123 19.381 -10.168 2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 18.662 -7.810 1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 17.564 -8.796 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 18.393 -7.560 3.084 1.00 0.00 H new ATOM 1047 N LEU A 124 18.720 -6.348 6.701 1.00 0.00 N ATOM 1048 CA LEU A 124 19.699 -5.307 6.353 1.00 0.00 C ATOM 1049 C LEU A 124 20.860 -5.392 7.350 1.00 0.00 C ATOM 1050 O LEU A 124 20.655 -5.208 8.551 1.00 0.00 O ATOM 1051 CB LEU A 124 19.019 -3.932 6.389 1.00 0.00 C ATOM 1052 CG LEU A 124 19.844 -2.762 5.820 1.00 0.00 C ATOM 1053 CD1 LEU A 124 18.968 -1.526 5.851 1.00 0.00 C ATOM 1054 CD2 LEU A 124 21.109 -2.405 6.596 1.00 0.00 C ATOM 0 H LEU A 124 18.585 -6.432 7.709 1.00 0.00 H new ATOM 0 HA LEU A 124 20.088 -5.454 5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 124 18.083 -3.996 5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 124 18.762 -3.702 7.423 1.00 0.00 H new ATOM 0 HG LEU A 124 20.159 -3.083 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 124 19.523 -0.676 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 124 18.079 -1.695 5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 124 18.671 -1.317 6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 124 21.611 -1.570 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 124 20.844 -2.124 7.615 1.00 0.00 H new ATOM 0 HD23 LEU A 124 21.777 -3.266 6.619 1.00 0.00 H new ATOM 1066 N TYR A 125 22.065 -5.715 6.890 1.00 0.00 N ATOM 1067 CA TYR A 125 23.206 -6.109 7.736 1.00 0.00 C ATOM 1068 C TYR A 125 23.895 -4.963 8.521 1.00 0.00 C ATOM 1069 O TYR A 125 25.065 -5.071 8.867 1.00 0.00 O ATOM 1070 CB TYR A 125 24.191 -6.921 6.871 1.00 0.00 C ATOM 1071 CG TYR A 125 24.385 -6.357 5.476 1.00 0.00 C ATOM 1072 CD1 TYR A 125 24.961 -5.083 5.315 1.00 0.00 C ATOM 1073 CD2 TYR A 125 23.695 -6.952 4.402 1.00 0.00 C ATOM 1074 CE1 TYR A 125 24.770 -4.374 4.116 1.00 0.00 C ATOM 1075 CE2 TYR A 125 23.467 -6.222 3.227 1.00 0.00 C ATOM 1076 CZ TYR A 125 24.014 -4.940 3.083 1.00 0.00 C ATOM 1077 OH TYR A 125 23.732 -4.238 1.963 1.00 0.00 O ATOM 0 H TYR A 125 22.289 -5.712 5.895 1.00 0.00 H new ATOM 0 HA TYR A 125 22.809 -6.725 8.543 1.00 0.00 H new ATOM 0 HB2 TYR A 125 25.157 -6.960 7.375 1.00 0.00 H new ATOM 0 HB3 TYR A 125 23.831 -7.947 6.792 1.00 0.00 H new ATOM 0 HD1 TYR A 125 25.549 -4.651 6.111 1.00 0.00 H new ATOM 0 HD2 TYR A 125 23.342 -7.969 4.483 1.00 0.00 H new ATOM 0 HE1 TYR A 125 25.206 -3.394 3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 125 22.870 -6.647 2.434 1.00 0.00 H new ATOM 0 HH TYR A 125 24.430 -3.567 1.813 1.00 0.00 H new ATOM 1087 N ARG A 126 23.168 -3.889 8.845 1.00 0.00 N ATOM 1088 CA ARG A 126 23.613 -2.738 9.646 1.00 0.00 C ATOM 1089 C ARG A 126 24.676 -1.846 8.968 1.00 0.00 C ATOM 1090 O ARG A 126 24.478 -0.642 8.857 1.00 0.00 O ATOM 1091 CB ARG A 126 24.054 -3.157 11.059 1.00 0.00 C ATOM 1092 CG ARG A 126 23.039 -4.002 11.847 1.00 0.00 C ATOM 1093 CD ARG A 126 21.678 -3.314 12.029 1.00 0.00 C ATOM 1094 NE ARG A 126 20.729 -3.706 10.967 1.00 0.00 N ATOM 1095 CZ ARG A 126 19.404 -3.526 10.948 1.00 0.00 C ATOM 1096 NH1 ARG A 126 18.745 -2.886 11.889 1.00 0.00 N ATOM 1097 NH2 ARG A 126 18.699 -4.020 9.959 1.00 0.00 N ATOM 0 H ARG A 126 22.200 -3.791 8.540 1.00 0.00 H new ATOM 0 HA ARG A 126 22.727 -2.109 9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 126 24.984 -3.720 10.978 1.00 0.00 H new ATOM 0 HB3 ARG A 126 24.275 -2.257 11.633 1.00 0.00 H new ATOM 0 HG2 ARG A 126 22.891 -4.951 11.332 1.00 0.00 H new ATOM 0 HG3 ARG A 126 23.454 -4.233 12.828 1.00 0.00 H new ATOM 0 HD2 ARG A 126 21.264 -3.575 13.003 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.811 -2.232 12.019 1.00 0.00 H new ATOM 0 HE ARG A 126 21.132 -4.169 10.152 1.00 0.00 H new ATOM 0 HH11 ARG A 126 19.246 -2.496 12.687 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.733 -2.780 11.821 1.00 0.00 H new ATOM 0 HH21 ARG A 126 19.162 -4.537 9.211 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.688 -3.887 9.937 1.00 0.00 H new ATOM 1284 N LEU B 68 17.821 14.315 3.492 1.00 0.00 N ATOM 1285 CA LEU B 68 18.720 13.347 2.865 1.00 0.00 C ATOM 1286 C LEU B 68 20.187 13.823 2.884 1.00 0.00 C ATOM 1287 O LEU B 68 20.850 13.987 1.862 1.00 0.00 O ATOM 1288 CB LEU B 68 18.180 12.836 1.513 1.00 0.00 C ATOM 1289 CG LEU B 68 17.455 11.476 1.647 1.00 0.00 C ATOM 1290 CD1 LEU B 68 16.195 11.589 2.515 1.00 0.00 C ATOM 1291 CD2 LEU B 68 17.060 10.978 0.253 1.00 0.00 C ATOM 0 HA LEU B 68 18.739 12.446 3.478 1.00 0.00 H new ATOM 0 HB2 LEU B 68 17.492 13.572 1.097 1.00 0.00 H new ATOM 0 HB3 LEU B 68 19.006 12.737 0.808 1.00 0.00 H new ATOM 0 HG LEU B 68 18.137 10.775 2.128 1.00 0.00 H new ATOM 0 HD11 LEU B 68 15.713 10.614 2.586 1.00 0.00 H new ATOM 0 HD12 LEU B 68 16.470 11.931 3.513 1.00 0.00 H new ATOM 0 HD13 LEU B 68 15.505 12.303 2.064 1.00 0.00 H new ATOM 0 HD21 LEU B 68 16.548 10.019 0.340 1.00 0.00 H new ATOM 0 HD22 LEU B 68 16.395 11.703 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU B 68 17.955 10.857 -0.357 1.00 0.00 H new ATOM 1303 N SER B 69 20.690 14.043 4.099 1.00 0.00 N ATOM 1304 CA SER B 69 22.110 14.204 4.387 1.00 0.00 C ATOM 1305 C SER B 69 22.860 12.863 4.330 1.00 0.00 C ATOM 1306 O SER B 69 22.258 11.798 4.188 1.00 0.00 O ATOM 1307 CB SER B 69 22.279 14.838 5.772 1.00 0.00 C ATOM 1308 OG SER B 69 23.622 15.264 5.944 1.00 0.00 O ATOM 0 H SER B 69 20.103 14.116 4.930 1.00 0.00 H new ATOM 0 HA SER B 69 22.539 14.853 3.624 1.00 0.00 H new ATOM 0 HB2 SER B 69 21.602 15.686 5.879 1.00 0.00 H new ATOM 0 HB3 SER B 69 22.014 14.118 6.547 1.00 0.00 H new ATOM 0 HG SER B 69 23.725 15.670 6.830 1.00 0.00 H new ATOM 1314 N ALA B 70 24.184 12.929 4.470 1.00 0.00 N ATOM 1315 CA ALA B 70 25.099 11.795 4.349 1.00 0.00 C ATOM 1316 C ALA B 70 24.627 10.542 5.105 1.00 0.00 C ATOM 1317 O ALA B 70 24.493 9.476 4.517 1.00 0.00 O ATOM 1318 CB ALA B 70 26.493 12.231 4.811 1.00 0.00 C ATOM 0 H ALA B 70 24.665 13.804 4.678 1.00 0.00 H new ATOM 0 HA ALA B 70 25.126 11.501 3.300 1.00 0.00 H new ATOM 0 HB1 ALA B 70 27.184 11.392 4.725 1.00 0.00 H new ATOM 0 HB2 ALA B 70 26.842 13.054 4.187 1.00 0.00 H new ATOM 0 HB3 ALA B 70 26.446 12.557 5.850 1.00 0.00 H new ATOM 1324 N CYS B 71 24.372 10.665 6.407 1.00 0.00 N ATOM 1325 CA CYS B 71 23.965 9.539 7.240 1.00 0.00 C ATOM 1326 C CYS B 71 22.660 8.867 6.777 1.00 0.00 C ATOM 1327 O CYS B 71 22.684 7.681 6.448 1.00 0.00 O ATOM 1328 CB CYS B 71 23.974 9.951 8.716 1.00 0.00 C ATOM 1329 SG CYS B 71 22.890 11.352 9.077 1.00 0.00 S ATOM 0 H CYS B 71 24.442 11.548 6.912 1.00 0.00 H new ATOM 0 HA CYS B 71 24.704 8.746 7.120 1.00 0.00 H new ATOM 0 HB2 CYS B 71 23.670 9.100 9.325 1.00 0.00 H new ATOM 0 HB3 CYS B 71 24.993 10.205 9.009 1.00 0.00 H new ATOM 0 HG CYS B 71 23.214 11.866 10.226 1.00 0.00 H new ATOM 1335 N GLU B 72 21.513 9.554 6.705 1.00 0.00 N ATOM 1336 CA GLU B 72 20.300 8.864 6.272 1.00 0.00 C ATOM 1337 C GLU B 72 20.372 8.382 4.811 1.00 0.00 C ATOM 1338 O GLU B 72 19.857 7.310 4.502 1.00 0.00 O ATOM 1339 CB GLU B 72 19.028 9.646 6.636 1.00 0.00 C ATOM 1340 CG GLU B 72 18.773 10.896 5.781 1.00 0.00 C ATOM 1341 CD GLU B 72 19.383 12.175 6.305 1.00 0.00 C ATOM 1342 OE1 GLU B 72 20.382 12.152 7.053 1.00 0.00 O ATOM 1343 OE2 GLU B 72 18.836 13.246 5.966 1.00 0.00 O ATOM 0 H GLU B 72 21.403 10.543 6.930 1.00 0.00 H new ATOM 0 HA GLU B 72 20.232 7.940 6.846 1.00 0.00 H new ATOM 0 HB2 GLU B 72 18.170 8.980 6.545 1.00 0.00 H new ATOM 0 HB3 GLU B 72 19.089 9.945 7.682 1.00 0.00 H new ATOM 0 HG2 GLU B 72 19.158 10.714 4.778 1.00 0.00 H new ATOM 0 HG3 GLU B 72 17.696 11.038 5.688 1.00 0.00 H new ATOM 1350 N VAL B 73 21.063 9.106 3.922 1.00 0.00 N ATOM 1351 CA VAL B 73 21.346 8.622 2.568 1.00 0.00 C ATOM 1352 C VAL B 73 22.138 7.310 2.609 1.00 0.00 C ATOM 1353 O VAL B 73 21.778 6.343 1.948 1.00 0.00 O ATOM 1354 CB VAL B 73 22.080 9.697 1.746 1.00 0.00 C ATOM 1355 CG1 VAL B 73 22.631 9.146 0.424 1.00 0.00 C ATOM 1356 CG2 VAL B 73 21.109 10.829 1.405 1.00 0.00 C ATOM 0 H VAL B 73 21.438 10.034 4.119 1.00 0.00 H new ATOM 0 HA VAL B 73 20.396 8.417 2.074 1.00 0.00 H new ATOM 0 HB VAL B 73 22.913 10.048 2.355 1.00 0.00 H new ATOM 0 HG11 VAL B 73 23.140 9.943 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL B 73 23.336 8.341 0.631 1.00 0.00 H new ATOM 0 HG13 VAL B 73 21.809 8.762 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL B 73 21.628 11.591 0.823 1.00 0.00 H new ATOM 0 HG22 VAL B 73 20.277 10.432 0.823 1.00 0.00 H new ATOM 0 HG23 VAL B 73 20.729 11.272 2.326 1.00 0.00 H new ATOM 1366 N ALA B 74 23.196 7.257 3.416 1.00 0.00 N ATOM 1367 CA ALA B 74 24.030 6.068 3.540 1.00 0.00 C ATOM 1368 C ALA B 74 23.194 4.870 3.996 1.00 0.00 C ATOM 1369 O ALA B 74 23.269 3.786 3.424 1.00 0.00 O ATOM 1370 CB ALA B 74 25.194 6.347 4.497 1.00 0.00 C ATOM 0 H ALA B 74 23.497 8.037 4.000 1.00 0.00 H new ATOM 0 HA ALA B 74 24.448 5.818 2.565 1.00 0.00 H new ATOM 0 HB1 ALA B 74 25.814 5.455 4.586 1.00 0.00 H new ATOM 0 HB2 ALA B 74 25.795 7.169 4.109 1.00 0.00 H new ATOM 0 HB3 ALA B 74 24.802 6.616 5.478 1.00 0.00 H new ATOM 1376 N VAL B 75 22.346 5.059 5.007 1.00 0.00 N ATOM 1377 CA VAL B 75 21.485 3.968 5.451 1.00 0.00 C ATOM 1378 C VAL B 75 20.427 3.614 4.376 1.00 0.00 C ATOM 1379 O VAL B 75 20.181 2.436 4.137 1.00 0.00 O ATOM 1380 CB VAL B 75 20.939 4.226 6.868 1.00 0.00 C ATOM 1381 CG1 VAL B 75 20.335 2.935 7.437 1.00 0.00 C ATOM 1382 CG2 VAL B 75 22.058 4.608 7.845 1.00 0.00 C ATOM 0 H VAL B 75 22.239 5.933 5.521 1.00 0.00 H new ATOM 0 HA VAL B 75 22.077 3.059 5.555 1.00 0.00 H new ATOM 0 HB VAL B 75 20.209 5.030 6.775 1.00 0.00 H new ATOM 0 HG11 VAL B 75 19.951 3.124 8.439 1.00 0.00 H new ATOM 0 HG12 VAL B 75 19.522 2.600 6.794 1.00 0.00 H new ATOM 0 HG13 VAL B 75 21.103 2.163 7.483 1.00 0.00 H new ATOM 0 HG21 VAL B 75 21.634 4.782 8.834 1.00 0.00 H new ATOM 0 HG22 VAL B 75 22.785 3.798 7.900 1.00 0.00 H new ATOM 0 HG23 VAL B 75 22.551 5.516 7.497 1.00 0.00 H new ATOM 1392 N LEU B 76 19.844 4.599 3.677 1.00 0.00 N ATOM 1393 CA LEU B 76 19.017 4.403 2.463 1.00 0.00 C ATOM 1394 C LEU B 76 19.698 3.583 1.354 1.00 0.00 C ATOM 1395 O LEU B 76 19.057 2.829 0.621 1.00 0.00 O ATOM 1396 CB LEU B 76 18.450 5.739 1.979 1.00 0.00 C ATOM 1397 CG LEU B 76 17.227 6.138 2.828 1.00 0.00 C ATOM 1398 CD1 LEU B 76 16.956 7.629 2.667 1.00 0.00 C ATOM 1399 CD2 LEU B 76 15.950 5.389 2.411 1.00 0.00 C ATOM 0 H LEU B 76 19.933 5.580 3.941 1.00 0.00 H new ATOM 0 HA LEU B 76 18.177 3.773 2.754 1.00 0.00 H new ATOM 0 HB2 LEU B 76 19.215 6.512 2.045 1.00 0.00 H new ATOM 0 HB3 LEU B 76 18.164 5.662 0.930 1.00 0.00 H new ATOM 0 HG LEU B 76 17.466 5.879 3.860 1.00 0.00 H new ATOM 0 HD11 LEU B 76 16.091 7.909 3.268 1.00 0.00 H new ATOM 0 HD12 LEU B 76 17.827 8.195 2.999 1.00 0.00 H new ATOM 0 HD13 LEU B 76 16.757 7.851 1.619 1.00 0.00 H new ATOM 0 HD21 LEU B 76 15.119 5.707 3.041 1.00 0.00 H new ATOM 0 HD22 LEU B 76 15.721 5.612 1.369 1.00 0.00 H new ATOM 0 HD23 LEU B 76 16.103 4.316 2.527 1.00 0.00 H new ATOM 1411 N ASP B 77 21.018 3.669 1.282 1.00 0.00 N ATOM 1412 CA ASP B 77 21.796 2.877 0.344 1.00 0.00 C ATOM 1413 C ASP B 77 21.946 1.450 0.891 1.00 0.00 C ATOM 1414 O ASP B 77 21.584 0.494 0.214 1.00 0.00 O ATOM 1415 CB ASP B 77 23.120 3.595 0.056 1.00 0.00 C ATOM 1416 CG ASP B 77 23.905 2.891 -1.031 1.00 0.00 C ATOM 1417 OD1 ASP B 77 24.633 1.944 -0.668 1.00 0.00 O ATOM 1418 OD2 ASP B 77 23.769 3.298 -2.200 1.00 0.00 O ATOM 0 H ASP B 77 21.577 4.287 1.870 1.00 0.00 H new ATOM 0 HA ASP B 77 21.293 2.778 -0.618 1.00 0.00 H new ATOM 0 HB2 ASP B 77 22.920 4.623 -0.245 1.00 0.00 H new ATOM 0 HB3 ASP B 77 23.717 3.640 0.967 1.00 0.00 H new ATOM 1423 N LEU B 78 22.326 1.261 2.163 1.00 0.00 N ATOM 1424 CA LEU B 78 22.272 -0.060 2.784 1.00 0.00 C ATOM 1425 C LEU B 78 20.895 -0.732 2.627 1.00 0.00 C ATOM 1426 O LEU B 78 20.820 -1.942 2.390 1.00 0.00 O ATOM 1427 CB LEU B 78 22.640 0.003 4.266 1.00 0.00 C ATOM 1428 CG LEU B 78 23.973 0.673 4.611 1.00 0.00 C ATOM 1429 CD1 LEU B 78 24.253 0.446 6.096 1.00 0.00 C ATOM 1430 CD2 LEU B 78 25.141 0.141 3.778 1.00 0.00 C ATOM 0 H LEU B 78 22.670 2.002 2.773 1.00 0.00 H new ATOM 0 HA LEU B 78 23.007 -0.667 2.256 1.00 0.00 H new ATOM 0 HB2 LEU B 78 21.846 0.532 4.793 1.00 0.00 H new ATOM 0 HB3 LEU B 78 22.658 -1.014 4.657 1.00 0.00 H new ATOM 0 HG LEU B 78 23.886 1.735 4.381 1.00 0.00 H new ATOM 0 HD11 LEU B 78 25.199 0.916 6.364 1.00 0.00 H new ATOM 0 HD12 LEU B 78 23.450 0.884 6.689 1.00 0.00 H new ATOM 0 HD13 LEU B 78 24.310 -0.624 6.296 1.00 0.00 H new ATOM 0 HD21 LEU B 78 26.058 0.654 4.068 1.00 0.00 H new ATOM 0 HD22 LEU B 78 25.254 -0.929 3.951 1.00 0.00 H new ATOM 0 HD23 LEU B 78 24.945 0.319 2.721 1.00 0.00 H new ATOM 1442 N TYR B 79 19.803 0.030 2.762 1.00 0.00 N ATOM 1443 CA TYR B 79 18.465 -0.437 2.438 1.00 0.00 C ATOM 1444 C TYR B 79 18.426 -1.096 1.044 1.00 0.00 C ATOM 1445 O TYR B 79 18.151 -2.298 0.968 1.00 0.00 O ATOM 1446 CB TYR B 79 17.432 0.698 2.623 1.00 0.00 C ATOM 1447 CG TYR B 79 16.946 0.918 4.047 1.00 0.00 C ATOM 1448 CD1 TYR B 79 16.229 -0.107 4.683 1.00 0.00 C ATOM 1449 CD2 TYR B 79 17.313 2.047 4.801 1.00 0.00 C ATOM 1450 CE1 TYR B 79 16.183 -0.159 6.084 1.00 0.00 C ATOM 1451 CE2 TYR B 79 17.240 2.012 6.195 1.00 0.00 C ATOM 1452 CZ TYR B 79 16.845 0.834 6.817 1.00 0.00 C ATOM 1453 OH TYR B 79 16.975 0.685 8.156 1.00 0.00 O ATOM 0 H TYR B 79 19.831 0.991 3.101 1.00 0.00 H new ATOM 0 HA TYR B 79 18.182 -1.222 3.139 1.00 0.00 H new ATOM 0 HB2 TYR B 79 17.871 1.627 2.260 1.00 0.00 H new ATOM 0 HB3 TYR B 79 16.569 0.486 1.992 1.00 0.00 H new ATOM 0 HD1 TYR B 79 15.714 -0.853 4.096 1.00 0.00 H new ATOM 0 HD2 TYR B 79 17.652 2.942 4.301 1.00 0.00 H new ATOM 0 HE1 TYR B 79 15.647 -0.950 6.588 1.00 0.00 H new ATOM 0 HE2 TYR B 79 17.486 2.886 6.780 1.00 0.00 H new ATOM 0 HH TYR B 79 16.432 -0.074 8.455 1.00 0.00 H new ATOM 1463 N GLU B 80 18.750 -0.393 -0.043 1.00 0.00 N ATOM 1464 CA GLU B 80 18.609 -0.967 -1.389 1.00 0.00 C ATOM 1465 C GLU B 80 19.749 -1.899 -1.838 1.00 0.00 C ATOM 1466 O GLU B 80 19.509 -2.879 -2.543 1.00 0.00 O ATOM 1467 CB GLU B 80 18.282 0.118 -2.414 1.00 0.00 C ATOM 1468 CG GLU B 80 16.825 0.588 -2.244 1.00 0.00 C ATOM 1469 CD GLU B 80 15.742 -0.377 -2.764 1.00 0.00 C ATOM 1470 OE1 GLU B 80 16.034 -1.584 -2.952 1.00 0.00 O ATOM 1471 OE2 GLU B 80 14.610 0.109 -2.964 1.00 0.00 O ATOM 0 H GLU B 80 19.107 0.562 -0.023 1.00 0.00 H new ATOM 0 HA GLU B 80 17.757 -1.644 -1.325 1.00 0.00 H new ATOM 0 HB2 GLU B 80 18.961 0.962 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU B 80 18.432 -0.267 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU B 80 16.644 0.770 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU B 80 16.710 1.543 -2.756 1.00 0.00 H new ATOM 1478 N GLN B 81 20.971 -1.722 -1.335 1.00 0.00 N ATOM 1479 CA GLN B 81 21.991 -2.779 -1.369 1.00 0.00 C ATOM 1480 C GLN B 81 21.401 -4.108 -0.869 1.00 0.00 C ATOM 1481 O GLN B 81 21.590 -5.178 -1.449 1.00 0.00 O ATOM 1482 CB GLN B 81 23.156 -2.463 -0.429 1.00 0.00 C ATOM 1483 CG GLN B 81 24.126 -1.336 -0.794 1.00 0.00 C ATOM 1484 CD GLN B 81 25.219 -1.231 0.270 1.00 0.00 C ATOM 1485 OE1 GLN B 81 25.394 -2.125 1.101 1.00 0.00 O ATOM 1486 NE2 GLN B 81 25.978 -0.158 0.288 1.00 0.00 N ATOM 0 H GLN B 81 21.282 -0.855 -0.897 1.00 0.00 H new ATOM 0 HA GLN B 81 22.331 -2.845 -2.403 1.00 0.00 H new ATOM 0 HB2 GLN B 81 22.735 -2.229 0.549 1.00 0.00 H new ATOM 0 HB3 GLN B 81 23.741 -3.375 -0.314 1.00 0.00 H new ATOM 0 HG2 GLN B 81 24.572 -1.529 -1.770 1.00 0.00 H new ATOM 0 HG3 GLN B 81 23.588 -0.391 -0.871 1.00 0.00 H new ATOM 0 HE21 GLN B 81 25.833 0.581 -0.400 1.00 0.00 H new ATOM 0 HE22 GLN B 81 26.712 -0.064 0.990 1.00 0.00 H new ATOM 1495 N SER B 82 20.672 -4.044 0.248 1.00 0.00 N ATOM 1496 CA SER B 82 19.996 -5.197 0.821 1.00 0.00 C ATOM 1497 C SER B 82 18.658 -5.528 0.123 1.00 0.00 C ATOM 1498 O SER B 82 18.007 -6.512 0.487 1.00 0.00 O ATOM 1499 CB SER B 82 19.868 -4.994 2.334 1.00 0.00 C ATOM 1500 OG SER B 82 18.643 -4.401 2.691 1.00 0.00 O ATOM 0 H SER B 82 20.537 -3.183 0.779 1.00 0.00 H new ATOM 0 HA SER B 82 20.602 -6.086 0.644 1.00 0.00 H new ATOM 0 HB2 SER B 82 19.964 -5.956 2.837 1.00 0.00 H new ATOM 0 HB3 SER B 82 20.688 -4.368 2.685 1.00 0.00 H new ATOM 0 HG SER B 82 18.416 -3.703 2.041 1.00 0.00 H new ATOM 1506 N ASN B 83 18.263 -4.742 -0.876 1.00 0.00 N ATOM 1507 CA ASN B 83 16.973 -4.731 -1.559 1.00 0.00 C ATOM 1508 C ASN B 83 15.782 -4.576 -0.606 1.00 0.00 C ATOM 1509 O ASN B 83 14.899 -5.434 -0.553 1.00 0.00 O ATOM 1510 CB ASN B 83 16.834 -5.920 -2.519 1.00 0.00 C ATOM 1511 CG ASN B 83 15.505 -5.869 -3.267 1.00 0.00 C ATOM 1512 OD1 ASN B 83 14.685 -6.780 -3.164 1.00 0.00 O ATOM 1513 ND2 ASN B 83 15.224 -4.788 -3.972 1.00 0.00 N ATOM 0 H ASN B 83 18.892 -4.037 -1.261 1.00 0.00 H new ATOM 0 HA ASN B 83 16.951 -3.830 -2.172 1.00 0.00 H new ATOM 0 HB2 ASN B 83 17.657 -5.913 -3.233 1.00 0.00 H new ATOM 0 HB3 ASN B 83 16.905 -6.853 -1.960 1.00 0.00 H new ATOM 0 HD21 ASN B 83 14.320 -4.703 -4.437 1.00 0.00 H new ATOM 0 HD22 ASN B 83 15.911 -4.038 -4.051 1.00 0.00 H new ATOM 1520 N ILE B 84 15.763 -3.493 0.160 1.00 0.00 N ATOM 1521 CA ILE B 84 14.581 -2.969 0.846 1.00 0.00 C ATOM 1522 C ILE B 84 14.210 -1.573 0.328 1.00 0.00 C ATOM 1523 O ILE B 84 14.916 -0.613 0.621 1.00 0.00 O ATOM 1524 CB ILE B 84 14.876 -2.855 2.346 1.00 0.00 C ATOM 1525 CG1 ILE B 84 15.123 -4.231 2.956 1.00 0.00 C ATOM 1526 CG2 ILE B 84 13.708 -2.169 3.085 1.00 0.00 C ATOM 1527 CD1 ILE B 84 15.893 -4.085 4.264 1.00 0.00 C ATOM 0 H ILE B 84 16.598 -2.933 0.329 1.00 0.00 H new ATOM 0 HA ILE B 84 13.753 -3.653 0.658 1.00 0.00 H new ATOM 0 HB ILE B 84 15.774 -2.248 2.460 1.00 0.00 H new ATOM 0 HG12 ILE B 84 14.173 -4.735 3.137 1.00 0.00 H new ATOM 0 HG13 ILE B 84 15.686 -4.852 2.259 1.00 0.00 H new ATOM 0 HG21 ILE B 84 13.940 -2.100 4.148 1.00 0.00 H new ATOM 0 HG22 ILE B 84 13.559 -1.168 2.680 1.00 0.00 H new ATOM 0 HG23 ILE B 84 12.798 -2.754 2.950 1.00 0.00 H new ATOM 0 HD11 ILE B 84 16.067 -5.071 4.696 1.00 0.00 H new ATOM 0 HD12 ILE B 84 16.850 -3.600 4.071 1.00 0.00 H new ATOM 0 HD13 ILE B 84 15.314 -3.480 4.962 1.00 0.00 H new ATOM 1539 N ARG B 85 13.024 -1.418 -0.258 1.00 0.00 N ATOM 1540 CA ARG B 85 12.440 -0.078 -0.382 1.00 0.00 C ATOM 1541 C ARG B 85 11.997 0.404 1.016 1.00 0.00 C ATOM 1542 O ARG B 85 11.340 -0.337 1.750 1.00 0.00 O ATOM 1543 CB ARG B 85 11.294 -0.087 -1.411 1.00 0.00 C ATOM 1544 CG ARG B 85 10.779 1.322 -1.778 1.00 0.00 C ATOM 1545 CD ARG B 85 9.655 1.230 -2.828 1.00 0.00 C ATOM 1546 NE ARG B 85 8.825 2.459 -2.882 1.00 0.00 N ATOM 1547 CZ ARG B 85 8.066 2.893 -3.896 1.00 0.00 C ATOM 1548 NH1 ARG B 85 8.000 2.297 -5.071 1.00 0.00 N ATOM 1549 NH2 ARG B 85 7.340 3.979 -3.774 1.00 0.00 N ATOM 0 H ARG B 85 12.461 -2.176 -0.644 1.00 0.00 H new ATOM 0 HA ARG B 85 13.178 0.630 -0.758 1.00 0.00 H new ATOM 0 HB2 ARG B 85 11.635 -0.587 -2.317 1.00 0.00 H new ATOM 0 HB3 ARG B 85 10.466 -0.675 -1.015 1.00 0.00 H new ATOM 0 HG2 ARG B 85 10.409 1.825 -0.884 1.00 0.00 H new ATOM 0 HG3 ARG B 85 11.599 1.925 -2.167 1.00 0.00 H new ATOM 0 HD2 ARG B 85 10.093 1.048 -3.809 1.00 0.00 H new ATOM 0 HD3 ARG B 85 9.018 0.375 -2.600 1.00 0.00 H new ATOM 0 HE ARG B 85 8.834 3.043 -2.046 1.00 0.00 H new ATOM 0 HH11 ARG B 85 8.548 1.455 -5.247 1.00 0.00 H new ATOM 0 HH12 ARG B 85 7.401 2.679 -5.803 1.00 0.00 H new ATOM 0 HH21 ARG B 85 7.350 4.503 -2.899 1.00 0.00 H new ATOM 0 HH22 ARG B 85 6.766 4.299 -4.554 1.00 0.00 H new ATOM 1563 N ILE B 86 12.351 1.625 1.417 1.00 0.00 N ATOM 1564 CA ILE B 86 11.775 2.302 2.588 1.00 0.00 C ATOM 1565 C ILE B 86 10.514 3.074 2.152 1.00 0.00 C ATOM 1566 O ILE B 86 10.553 3.718 1.108 1.00 0.00 O ATOM 1567 CB ILE B 86 12.839 3.215 3.231 1.00 0.00 C ATOM 1568 CG1 ILE B 86 13.856 2.421 4.073 1.00 0.00 C ATOM 1569 CG2 ILE B 86 12.228 4.328 4.084 1.00 0.00 C ATOM 1570 CD1 ILE B 86 13.338 1.961 5.447 1.00 0.00 C ATOM 0 H ILE B 86 13.055 2.183 0.934 1.00 0.00 H new ATOM 0 HA ILE B 86 11.474 1.579 3.346 1.00 0.00 H new ATOM 0 HB ILE B 86 13.362 3.677 2.394 1.00 0.00 H new ATOM 0 HG12 ILE B 86 14.169 1.544 3.507 1.00 0.00 H new ATOM 0 HG13 ILE B 86 14.742 3.037 4.222 1.00 0.00 H new ATOM 0 HG21 ILE B 86 13.024 4.938 4.511 1.00 0.00 H new ATOM 0 HG22 ILE B 86 11.586 4.952 3.462 1.00 0.00 H new ATOM 0 HG23 ILE B 86 11.638 3.888 4.888 1.00 0.00 H new ATOM 0 HD11 ILE B 86 14.123 1.411 5.966 1.00 0.00 H new ATOM 0 HD12 ILE B 86 13.053 2.831 6.038 1.00 0.00 H new ATOM 0 HD13 ILE B 86 12.471 1.315 5.311 1.00 0.00 H new ATOM 1582 N PRO B 87 9.388 2.994 2.888 1.00 0.00 N ATOM 1583 CA PRO B 87 8.179 3.692 2.487 1.00 0.00 C ATOM 1584 C PRO B 87 8.304 5.192 2.797 1.00 0.00 C ATOM 1585 O PRO B 87 8.797 5.571 3.858 1.00 0.00 O ATOM 1586 CB PRO B 87 7.042 3.010 3.254 1.00 0.00 C ATOM 1587 CG PRO B 87 7.715 2.517 4.535 1.00 0.00 C ATOM 1588 CD PRO B 87 9.169 2.252 4.121 1.00 0.00 C ATOM 0 HA PRO B 87 7.991 3.637 1.415 1.00 0.00 H new ATOM 0 HB2 PRO B 87 6.231 3.705 3.470 1.00 0.00 H new ATOM 0 HB3 PRO B 87 6.612 2.186 2.684 1.00 0.00 H new ATOM 0 HG2 PRO B 87 7.657 3.263 5.328 1.00 0.00 H new ATOM 0 HG3 PRO B 87 7.238 1.613 4.913 1.00 0.00 H new ATOM 0 HD2 PRO B 87 9.860 2.579 4.898 1.00 0.00 H new ATOM 0 HD3 PRO B 87 9.341 1.187 3.969 1.00 0.00 H new ATOM 1596 N SER B 88 7.859 6.035 1.866 1.00 0.00 N ATOM 1597 CA SER B 88 7.992 7.492 1.878 1.00 0.00 C ATOM 1598 C SER B 88 7.625 8.110 3.232 1.00 0.00 C ATOM 1599 O SER B 88 8.305 9.004 3.722 1.00 0.00 O ATOM 1600 CB SER B 88 7.111 8.102 0.777 1.00 0.00 C ATOM 1601 OG SER B 88 7.227 7.409 -0.455 1.00 0.00 O ATOM 0 H SER B 88 7.368 5.701 1.036 1.00 0.00 H new ATOM 0 HA SER B 88 9.042 7.719 1.694 1.00 0.00 H new ATOM 0 HB2 SER B 88 6.070 8.091 1.100 1.00 0.00 H new ATOM 0 HB3 SER B 88 7.388 9.146 0.631 1.00 0.00 H new ATOM 0 HG SER B 88 6.682 6.595 -0.425 1.00 0.00 H new ATOM 1607 N ASP B 89 6.540 7.629 3.837 1.00 0.00 N ATOM 1608 CA ASP B 89 6.065 8.041 5.149 1.00 0.00 C ATOM 1609 C ASP B 89 7.186 8.149 6.206 1.00 0.00 C ATOM 1610 O ASP B 89 7.456 9.213 6.759 1.00 0.00 O ATOM 1611 CB ASP B 89 4.982 7.028 5.531 1.00 0.00 C ATOM 1612 CG ASP B 89 4.368 7.352 6.868 1.00 0.00 C ATOM 1613 OD1 ASP B 89 3.697 8.392 6.958 1.00 0.00 O ATOM 1614 OD2 ASP B 89 4.438 6.490 7.766 1.00 0.00 O ATOM 0 H ASP B 89 5.949 6.916 3.408 1.00 0.00 H new ATOM 0 HA ASP B 89 5.665 9.054 5.112 1.00 0.00 H new ATOM 0 HB2 ASP B 89 4.206 7.018 4.766 1.00 0.00 H new ATOM 0 HB3 ASP B 89 5.413 6.027 5.561 1.00 0.00 H new ATOM 1619 N ILE B 90 7.906 7.057 6.467 1.00 0.00 N ATOM 1620 CA ILE B 90 8.981 7.117 7.459 1.00 0.00 C ATOM 1621 C ILE B 90 10.177 7.947 6.982 1.00 0.00 C ATOM 1622 O ILE B 90 10.899 8.490 7.809 1.00 0.00 O ATOM 1623 CB ILE B 90 9.355 5.742 8.033 1.00 0.00 C ATOM 1624 CG1 ILE B 90 9.953 4.786 6.998 1.00 0.00 C ATOM 1625 CG2 ILE B 90 8.101 5.178 8.707 1.00 0.00 C ATOM 1626 CD1 ILE B 90 10.280 3.422 7.617 1.00 0.00 C ATOM 0 H ILE B 90 7.772 6.149 6.023 1.00 0.00 H new ATOM 0 HA ILE B 90 8.579 7.664 8.312 1.00 0.00 H new ATOM 0 HB ILE B 90 10.157 5.859 8.761 1.00 0.00 H new ATOM 0 HG12 ILE B 90 9.251 4.654 6.174 1.00 0.00 H new ATOM 0 HG13 ILE B 90 10.859 5.223 6.578 1.00 0.00 H new ATOM 0 HG21 ILE B 90 8.324 4.198 9.129 1.00 0.00 H new ATOM 0 HG22 ILE B 90 7.781 5.852 9.502 1.00 0.00 H new ATOM 0 HG23 ILE B 90 7.304 5.082 7.970 1.00 0.00 H new ATOM 0 HD11 ILE B 90 10.703 2.768 6.854 1.00 0.00 H new ATOM 0 HD12 ILE B 90 11.001 3.552 8.424 1.00 0.00 H new ATOM 0 HD13 ILE B 90 9.369 2.975 8.014 1.00 0.00 H new ATOM 1638 N ILE B 91 10.376 8.133 5.673 1.00 0.00 N ATOM 1639 CA ILE B 91 11.325 9.143 5.196 1.00 0.00 C ATOM 1640 C ILE B 91 10.869 10.545 5.639 1.00 0.00 C ATOM 1641 O ILE B 91 11.643 11.297 6.230 1.00 0.00 O ATOM 1642 CB ILE B 91 11.532 9.049 3.668 1.00 0.00 C ATOM 1643 CG1 ILE B 91 11.828 7.598 3.264 1.00 0.00 C ATOM 1644 CG2 ILE B 91 12.668 9.982 3.228 1.00 0.00 C ATOM 1645 CD1 ILE B 91 12.182 7.393 1.787 1.00 0.00 C ATOM 0 H ILE B 91 9.903 7.608 4.937 1.00 0.00 H new ATOM 0 HA ILE B 91 12.298 8.950 5.648 1.00 0.00 H new ATOM 0 HB ILE B 91 10.618 9.365 3.166 1.00 0.00 H new ATOM 0 HG12 ILE B 91 12.653 7.229 3.874 1.00 0.00 H new ATOM 0 HG13 ILE B 91 10.957 6.987 3.501 1.00 0.00 H new ATOM 0 HG21 ILE B 91 12.804 9.906 2.149 1.00 0.00 H new ATOM 0 HG22 ILE B 91 12.417 11.010 3.491 1.00 0.00 H new ATOM 0 HG23 ILE B 91 13.591 9.694 3.731 1.00 0.00 H new ATOM 0 HD11 ILE B 91 12.374 6.336 1.602 1.00 0.00 H new ATOM 0 HD12 ILE B 91 11.352 7.726 1.164 1.00 0.00 H new ATOM 0 HD13 ILE B 91 13.073 7.971 1.543 1.00 0.00 H new ATOM 1657 N GLU B 92 9.600 10.884 5.393 1.00 0.00 N ATOM 1658 CA GLU B 92 8.984 12.148 5.800 1.00 0.00 C ATOM 1659 C GLU B 92 9.134 12.414 7.313 1.00 0.00 C ATOM 1660 O GLU B 92 9.458 13.532 7.717 1.00 0.00 O ATOM 1661 CB GLU B 92 7.519 12.140 5.322 1.00 0.00 C ATOM 1662 CG GLU B 92 6.770 13.460 5.566 1.00 0.00 C ATOM 1663 CD GLU B 92 7.386 14.648 4.865 1.00 0.00 C ATOM 1664 OE1 GLU B 92 7.070 14.880 3.681 1.00 0.00 O ATOM 1665 OE2 GLU B 92 8.172 15.376 5.512 1.00 0.00 O ATOM 0 H GLU B 92 8.957 10.270 4.892 1.00 0.00 H new ATOM 0 HA GLU B 92 9.503 12.983 5.330 1.00 0.00 H new ATOM 0 HB2 GLU B 92 7.498 11.915 4.256 1.00 0.00 H new ATOM 0 HB3 GLU B 92 6.987 11.334 5.829 1.00 0.00 H new ATOM 0 HG2 GLU B 92 5.738 13.348 5.233 1.00 0.00 H new ATOM 0 HG3 GLU B 92 6.740 13.657 6.638 1.00 0.00 H new ATOM 1672 N ASP B 93 8.946 11.389 8.152 1.00 0.00 N ATOM 1673 CA ASP B 93 9.188 11.471 9.587 1.00 0.00 C ATOM 1674 C ASP B 93 10.691 11.649 9.877 1.00 0.00 C ATOM 1675 O ASP B 93 11.124 12.697 10.359 1.00 0.00 O ATOM 1676 CB ASP B 93 8.596 10.212 10.243 1.00 0.00 C ATOM 1677 CG ASP B 93 8.841 10.160 11.737 1.00 0.00 C ATOM 1678 OD1 ASP B 93 9.084 11.232 12.327 1.00 0.00 O ATOM 1679 OD2 ASP B 93 8.822 9.040 12.287 1.00 0.00 O ATOM 0 H ASP B 93 8.618 10.473 7.846 1.00 0.00 H new ATOM 0 HA ASP B 93 8.699 12.347 10.014 1.00 0.00 H new ATOM 0 HB2 ASP B 93 7.523 10.179 10.054 1.00 0.00 H new ATOM 0 HB3 ASP B 93 9.029 9.327 9.777 1.00 0.00 H new ATOM 1684 N LEU B 94 11.499 10.643 9.535 1.00 0.00 N ATOM 1685 CA LEU B 94 12.936 10.580 9.840 1.00 0.00 C ATOM 1686 C LEU B 94 13.659 11.887 9.462 1.00 0.00 C ATOM 1687 O LEU B 94 14.378 12.484 10.261 1.00 0.00 O ATOM 1688 CB LEU B 94 13.558 9.361 9.128 1.00 0.00 C ATOM 1689 CG LEU B 94 14.841 8.777 9.742 1.00 0.00 C ATOM 1690 CD1 LEU B 94 15.901 9.810 10.114 1.00 0.00 C ATOM 1691 CD2 LEU B 94 14.539 7.926 10.969 1.00 0.00 C ATOM 0 H LEU B 94 11.166 9.826 9.024 1.00 0.00 H new ATOM 0 HA LEU B 94 13.059 10.461 10.916 1.00 0.00 H new ATOM 0 HB2 LEU B 94 12.809 8.570 9.092 1.00 0.00 H new ATOM 0 HB3 LEU B 94 13.773 9.643 8.097 1.00 0.00 H new ATOM 0 HG LEU B 94 15.257 8.164 8.942 1.00 0.00 H new ATOM 0 HD11 LEU B 94 16.768 9.305 10.539 1.00 0.00 H new ATOM 0 HD12 LEU B 94 16.202 10.360 9.222 1.00 0.00 H new ATOM 0 HD13 LEU B 94 15.491 10.505 10.847 1.00 0.00 H new ATOM 0 HD21 LEU B 94 15.470 7.530 11.375 1.00 0.00 H new ATOM 0 HD22 LEU B 94 14.045 8.538 11.723 1.00 0.00 H new ATOM 0 HD23 LEU B 94 13.886 7.100 10.687 1.00 0.00 H new ATOM 1703 N VAL B 95 13.437 12.370 8.240 1.00 0.00 N ATOM 1704 CA VAL B 95 13.966 13.649 7.771 1.00 0.00 C ATOM 1705 C VAL B 95 13.611 14.830 8.699 1.00 0.00 C ATOM 1706 O VAL B 95 14.449 15.705 8.916 1.00 0.00 O ATOM 1707 CB VAL B 95 13.506 13.868 6.322 1.00 0.00 C ATOM 1708 CG1 VAL B 95 13.793 15.286 5.837 1.00 0.00 C ATOM 1709 CG2 VAL B 95 14.237 12.896 5.385 1.00 0.00 C ATOM 0 H VAL B 95 12.879 11.879 7.541 1.00 0.00 H new ATOM 0 HA VAL B 95 15.055 13.609 7.797 1.00 0.00 H new ATOM 0 HB VAL B 95 12.430 13.696 6.305 1.00 0.00 H new ATOM 0 HG11 VAL B 95 13.451 15.395 4.808 1.00 0.00 H new ATOM 0 HG12 VAL B 95 13.268 16.001 6.471 1.00 0.00 H new ATOM 0 HG13 VAL B 95 14.865 15.477 5.885 1.00 0.00 H new ATOM 0 HG21 VAL B 95 13.904 13.059 4.360 1.00 0.00 H new ATOM 0 HG22 VAL B 95 15.312 13.068 5.449 1.00 0.00 H new ATOM 0 HG23 VAL B 95 14.015 11.870 5.680 1.00 0.00 H new ATOM 1719 N ASN B 96 12.396 14.865 9.254 1.00 0.00 N ATOM 1720 CA ASN B 96 11.985 15.856 10.256 1.00 0.00 C ATOM 1721 C ASN B 96 12.698 15.655 11.602 1.00 0.00 C ATOM 1722 O ASN B 96 13.261 16.600 12.150 1.00 0.00 O ATOM 1723 CB ASN B 96 10.448 15.904 10.359 1.00 0.00 C ATOM 1724 CG ASN B 96 9.859 15.608 11.736 1.00 0.00 C ATOM 1725 OD1 ASN B 96 9.560 16.516 12.496 1.00 0.00 O ATOM 1726 ND2 ASN B 96 9.644 14.350 12.064 1.00 0.00 N ATOM 0 H ASN B 96 11.661 14.199 9.018 1.00 0.00 H new ATOM 0 HA ASN B 96 12.308 16.843 9.924 1.00 0.00 H new ATOM 0 HB2 ASN B 96 10.114 16.894 10.048 1.00 0.00 H new ATOM 0 HB3 ASN B 96 10.034 15.190 9.648 1.00 0.00 H new ATOM 0 HD21 ASN B 96 9.222 14.123 12.964 1.00 0.00 H new ATOM 0 HD22 ASN B 96 9.900 13.604 11.418 1.00 0.00 H new ATOM 1733 N GLN B 97 12.736 14.416 12.105 1.00 0.00 N ATOM 1734 CA GLN B 97 13.501 14.069 13.308 1.00 0.00 C ATOM 1735 C GLN B 97 14.982 14.472 13.178 1.00 0.00 C ATOM 1736 O GLN B 97 15.640 14.824 14.155 1.00 0.00 O ATOM 1737 CB GLN B 97 13.392 12.563 13.596 1.00 0.00 C ATOM 1738 CG GLN B 97 11.956 12.025 13.672 1.00 0.00 C ATOM 1739 CD GLN B 97 11.095 12.634 14.770 1.00 0.00 C ATOM 1740 OE1 GLN B 97 11.585 13.176 15.753 1.00 0.00 O ATOM 1741 NE2 GLN B 97 9.786 12.549 14.627 1.00 0.00 N ATOM 0 H GLN B 97 12.239 13.628 11.691 1.00 0.00 H new ATOM 0 HA GLN B 97 13.073 14.628 14.140 1.00 0.00 H new ATOM 0 HB2 GLN B 97 13.928 12.019 12.819 1.00 0.00 H new ATOM 0 HB3 GLN B 97 13.895 12.350 14.539 1.00 0.00 H new ATOM 0 HG2 GLN B 97 11.469 12.197 12.712 1.00 0.00 H new ATOM 0 HG3 GLN B 97 11.996 10.946 13.820 1.00 0.00 H new ATOM 0 HE21 GLN B 97 9.391 12.095 13.803 1.00 0.00 H new ATOM 0 HE22 GLN B 97 9.169 12.937 15.340 1.00 0.00 H new ATOM 1750 N ARG B 98 15.513 14.413 11.954 1.00 0.00 N ATOM 1751 CA ARG B 98 16.814 14.947 11.578 1.00 0.00 C ATOM 1752 C ARG B 98 17.955 14.330 12.402 1.00 0.00 C ATOM 1753 O ARG B 98 18.933 14.991 12.756 1.00 0.00 O ATOM 1754 CB ARG B 98 16.726 16.484 11.611 1.00 0.00 C ATOM 1755 CG ARG B 98 17.956 17.284 11.161 1.00 0.00 C ATOM 1756 CD ARG B 98 18.567 16.812 9.838 1.00 0.00 C ATOM 1757 NE ARG B 98 19.375 15.589 10.029 1.00 0.00 N ATOM 1758 CZ ARG B 98 19.693 14.718 9.068 1.00 0.00 C ATOM 1759 NH1 ARG B 98 19.490 15.027 7.807 1.00 0.00 N ATOM 1760 NH2 ARG B 98 20.208 13.540 9.352 1.00 0.00 N ATOM 0 H ARG B 98 15.026 13.975 11.172 1.00 0.00 H new ATOM 0 HA ARG B 98 17.074 14.660 10.559 1.00 0.00 H new ATOM 0 HB2 ARG B 98 15.885 16.784 10.986 1.00 0.00 H new ATOM 0 HB3 ARG B 98 16.488 16.783 12.632 1.00 0.00 H new ATOM 0 HG2 ARG B 98 17.677 18.333 11.065 1.00 0.00 H new ATOM 0 HG3 ARG B 98 18.717 17.227 11.940 1.00 0.00 H new ATOM 0 HD2 ARG B 98 17.773 16.618 9.117 1.00 0.00 H new ATOM 0 HD3 ARG B 98 19.191 17.602 9.420 1.00 0.00 H new ATOM 0 HE ARG B 98 19.717 15.395 10.970 1.00 0.00 H new ATOM 0 HH11 ARG B 98 19.089 15.932 7.562 1.00 0.00 H new ATOM 0 HH12 ARG B 98 19.733 14.361 7.073 1.00 0.00 H new ATOM 0 HH21 ARG B 98 20.372 13.276 10.323 1.00 0.00 H new ATOM 0 HH22 ARG B 98 20.443 12.891 8.601 1.00 0.00 H new ATOM 1774 N LEU B 99 17.875 13.019 12.622 1.00 0.00 N ATOM 1775 CA LEU B 99 18.791 12.280 13.491 1.00 0.00 C ATOM 1776 C LEU B 99 20.270 12.423 13.086 1.00 0.00 C ATOM 1777 O LEU B 99 20.600 12.770 11.950 1.00 0.00 O ATOM 1778 CB LEU B 99 18.369 10.809 13.580 1.00 0.00 C ATOM 1779 CG LEU B 99 16.898 10.613 13.991 1.00 0.00 C ATOM 1780 CD1 LEU B 99 16.583 9.120 14.053 1.00 0.00 C ATOM 1781 CD2 LEU B 99 16.590 11.237 15.357 1.00 0.00 C ATOM 0 H LEU B 99 17.160 12.430 12.195 1.00 0.00 H new ATOM 0 HA LEU B 99 18.718 12.728 14.482 1.00 0.00 H new ATOM 0 HB2 LEU B 99 18.534 10.333 12.613 1.00 0.00 H new ATOM 0 HB3 LEU B 99 19.010 10.299 14.299 1.00 0.00 H new ATOM 0 HG LEU B 99 16.281 11.112 13.243 1.00 0.00 H new ATOM 0 HD11 LEU B 99 15.542 8.980 14.344 1.00 0.00 H new ATOM 0 HD12 LEU B 99 16.750 8.672 13.073 1.00 0.00 H new ATOM 0 HD13 LEU B 99 17.232 8.641 14.786 1.00 0.00 H new ATOM 0 HD21 LEU B 99 15.541 11.073 15.604 1.00 0.00 H new ATOM 0 HD22 LEU B 99 17.218 10.775 16.118 1.00 0.00 H new ATOM 0 HD23 LEU B 99 16.791 12.308 15.322 1.00 0.00 H new ATOM 1793 N GLN B 100 21.173 12.195 14.040 1.00 0.00 N ATOM 1794 CA GLN B 100 22.557 12.655 13.935 1.00 0.00 C ATOM 1795 C GLN B 100 23.416 11.799 12.995 1.00 0.00 C ATOM 1796 O GLN B 100 24.171 12.325 12.180 1.00 0.00 O ATOM 1797 CB GLN B 100 23.179 12.824 15.333 1.00 0.00 C ATOM 1798 CG GLN B 100 23.205 11.564 16.220 1.00 0.00 C ATOM 1799 CD GLN B 100 23.981 11.784 17.517 1.00 0.00 C ATOM 1800 OE1 GLN B 100 24.396 12.886 17.841 1.00 0.00 O ATOM 1801 NE2 GLN B 100 24.217 10.743 18.298 1.00 0.00 N ATOM 0 H GLN B 100 20.967 11.690 14.902 1.00 0.00 H new ATOM 0 HA GLN B 100 22.535 13.637 13.462 1.00 0.00 H new ATOM 0 HB2 GLN B 100 24.202 13.180 15.213 1.00 0.00 H new ATOM 0 HB3 GLN B 100 22.630 13.604 15.861 1.00 0.00 H new ATOM 0 HG2 GLN B 100 22.183 11.268 16.456 1.00 0.00 H new ATOM 0 HG3 GLN B 100 23.655 10.741 15.665 1.00 0.00 H new ATOM 0 HE21 GLN B 100 23.874 9.819 18.034 1.00 0.00 H new ATOM 0 HE22 GLN B 100 24.742 10.864 19.164 1.00 0.00 H new ATOM 1810 N SER B 101 23.302 10.478 13.103 1.00 0.00 N ATOM 1811 CA SER B 101 24.178 9.542 12.395 1.00 0.00 C ATOM 1812 C SER B 101 23.514 8.178 12.153 1.00 0.00 C ATOM 1813 O SER B 101 22.380 7.926 12.562 1.00 0.00 O ATOM 1814 CB SER B 101 25.531 9.442 13.123 1.00 0.00 C ATOM 1815 OG SER B 101 25.342 9.280 14.516 1.00 0.00 O ATOM 0 H SER B 101 22.599 10.023 13.685 1.00 0.00 H new ATOM 0 HA SER B 101 24.368 9.934 11.396 1.00 0.00 H new ATOM 0 HB2 SER B 101 26.100 8.600 12.728 1.00 0.00 H new ATOM 0 HB3 SER B 101 26.118 10.340 12.933 1.00 0.00 H new ATOM 0 HG SER B 101 24.708 8.551 14.677 1.00 0.00 H new ATOM 1821 N GLU B 102 24.218 7.315 11.434 1.00 0.00 N ATOM 1822 CA GLU B 102 23.717 6.073 10.856 1.00 0.00 C ATOM 1823 C GLU B 102 23.051 5.148 11.881 1.00 0.00 C ATOM 1824 O GLU B 102 21.984 4.601 11.626 1.00 0.00 O ATOM 1825 CB GLU B 102 24.849 5.347 10.110 1.00 0.00 C ATOM 1826 CG GLU B 102 25.737 6.286 9.272 1.00 0.00 C ATOM 1827 CD GLU B 102 26.875 6.858 10.099 1.00 0.00 C ATOM 1828 OE1 GLU B 102 27.778 6.069 10.443 1.00 0.00 O ATOM 1829 OE2 GLU B 102 26.720 8.031 10.501 1.00 0.00 O ATOM 0 H GLU B 102 25.205 7.469 11.227 1.00 0.00 H new ATOM 0 HA GLU B 102 22.932 6.346 10.151 1.00 0.00 H new ATOM 0 HB2 GLU B 102 25.472 4.822 10.834 1.00 0.00 H new ATOM 0 HB3 GLU B 102 24.415 4.591 9.456 1.00 0.00 H new ATOM 0 HG2 GLU B 102 26.143 5.741 8.420 1.00 0.00 H new ATOM 0 HG3 GLU B 102 25.132 7.099 8.871 1.00 0.00 H new ATOM 1836 N GLN B 103 23.652 4.974 13.059 1.00 0.00 N ATOM 1837 CA GLN B 103 23.061 4.118 14.087 1.00 0.00 C ATOM 1838 C GLN B 103 21.730 4.679 14.624 1.00 0.00 C ATOM 1839 O GLN B 103 20.798 3.944 14.967 1.00 0.00 O ATOM 1840 CB GLN B 103 24.058 3.816 15.209 1.00 0.00 C ATOM 1841 CG GLN B 103 23.600 2.523 15.903 1.00 0.00 C ATOM 1842 CD GLN B 103 24.433 2.182 17.121 1.00 0.00 C ATOM 1843 OE1 GLN B 103 25.606 1.858 17.017 1.00 0.00 O ATOM 1844 NE2 GLN B 103 23.841 2.235 18.299 1.00 0.00 N ATOM 0 H GLN B 103 24.536 5.409 13.322 1.00 0.00 H new ATOM 0 HA GLN B 103 22.819 3.169 13.609 1.00 0.00 H new ATOM 0 HB2 GLN B 103 25.064 3.698 14.806 1.00 0.00 H new ATOM 0 HB3 GLN B 103 24.094 4.640 15.921 1.00 0.00 H new ATOM 0 HG2 GLN B 103 22.556 2.626 16.200 1.00 0.00 H new ATOM 0 HG3 GLN B 103 23.649 1.698 15.192 1.00 0.00 H new ATOM 0 HE21 GLN B 103 22.860 2.508 18.365 1.00 0.00 H new ATOM 0 HE22 GLN B 103 24.364 2.003 19.143 1.00 0.00 H new ATOM 1853 N GLU B 104 21.625 6.000 14.694 1.00 0.00 N ATOM 1854 CA GLU B 104 20.400 6.683 15.054 1.00 0.00 C ATOM 1855 C GLU B 104 19.337 6.553 13.960 1.00 0.00 C ATOM 1856 O GLU B 104 18.182 6.251 14.264 1.00 0.00 O ATOM 1857 CB GLU B 104 20.714 8.113 15.490 1.00 0.00 C ATOM 1858 CG GLU B 104 21.533 8.085 16.798 1.00 0.00 C ATOM 1859 CD GLU B 104 23.037 7.922 16.666 1.00 0.00 C ATOM 1860 OE1 GLU B 104 23.561 7.659 15.563 1.00 0.00 O ATOM 1861 OE2 GLU B 104 23.717 8.142 17.687 1.00 0.00 O ATOM 0 H GLU B 104 22.402 6.631 14.499 1.00 0.00 H new ATOM 0 HA GLU B 104 19.945 6.199 15.918 1.00 0.00 H new ATOM 0 HB2 GLU B 104 21.274 8.628 14.709 1.00 0.00 H new ATOM 0 HB3 GLU B 104 19.789 8.670 15.639 1.00 0.00 H new ATOM 0 HG2 GLU B 104 21.339 9.011 17.339 1.00 0.00 H new ATOM 0 HG3 GLU B 104 21.157 7.270 17.416 1.00 0.00 H new ATOM 1868 N VAL B 105 19.730 6.676 12.687 1.00 0.00 N ATOM 1869 CA VAL B 105 18.812 6.377 11.593 1.00 0.00 C ATOM 1870 C VAL B 105 18.338 4.933 11.723 1.00 0.00 C ATOM 1871 O VAL B 105 17.147 4.686 11.839 1.00 0.00 O ATOM 1872 CB VAL B 105 19.450 6.631 10.219 1.00 0.00 C ATOM 1873 CG1 VAL B 105 18.499 6.210 9.089 1.00 0.00 C ATOM 1874 CG2 VAL B 105 19.768 8.116 10.041 1.00 0.00 C ATOM 0 H VAL B 105 20.661 6.975 12.397 1.00 0.00 H new ATOM 0 HA VAL B 105 17.957 7.049 11.662 1.00 0.00 H new ATOM 0 HB VAL B 105 20.366 6.042 10.172 1.00 0.00 H new ATOM 0 HG11 VAL B 105 18.972 6.399 8.126 1.00 0.00 H new ATOM 0 HG12 VAL B 105 18.274 5.147 9.180 1.00 0.00 H new ATOM 0 HG13 VAL B 105 17.575 6.784 9.158 1.00 0.00 H new ATOM 0 HG21 VAL B 105 20.219 8.277 9.062 1.00 0.00 H new ATOM 0 HG22 VAL B 105 18.849 8.697 10.116 1.00 0.00 H new ATOM 0 HG23 VAL B 105 20.463 8.435 10.818 1.00 0.00 H new ATOM 1884 N LEU B 106 19.255 3.967 11.755 1.00 0.00 N ATOM 1885 CA LEU B 106 18.854 2.566 11.758 1.00 0.00 C ATOM 1886 C LEU B 106 17.956 2.216 12.951 1.00 0.00 C ATOM 1887 O LEU B 106 16.910 1.611 12.749 1.00 0.00 O ATOM 1888 CB LEU B 106 20.027 1.605 11.494 1.00 0.00 C ATOM 1889 CG LEU B 106 20.957 1.316 12.674 1.00 0.00 C ATOM 1890 CD1 LEU B 106 20.478 0.145 13.542 1.00 0.00 C ATOM 1891 CD2 LEU B 106 22.352 0.973 12.132 1.00 0.00 C ATOM 0 H LEU B 106 20.262 4.126 11.779 1.00 0.00 H new ATOM 0 HA LEU B 106 18.208 2.410 10.894 1.00 0.00 H new ATOM 0 HB2 LEU B 106 19.618 0.658 11.143 1.00 0.00 H new ATOM 0 HB3 LEU B 106 20.626 2.015 10.681 1.00 0.00 H new ATOM 0 HG LEU B 106 20.970 2.209 13.299 1.00 0.00 H new ATOM 0 HD11 LEU B 106 21.179 -0.011 14.362 1.00 0.00 H new ATOM 0 HD12 LEU B 106 19.491 0.371 13.946 1.00 0.00 H new ATOM 0 HD13 LEU B 106 20.423 -0.759 12.935 1.00 0.00 H new ATOM 0 HD21 LEU B 106 23.025 0.765 12.964 1.00 0.00 H new ATOM 0 HD22 LEU B 106 22.287 0.095 11.490 1.00 0.00 H new ATOM 0 HD23 LEU B 106 22.736 1.816 11.557 1.00 0.00 H new ATOM 1903 N ASN B 107 18.281 2.600 14.193 1.00 0.00 N ATOM 1904 CA ASN B 107 17.404 2.177 15.293 1.00 0.00 C ATOM 1905 C ASN B 107 15.993 2.797 15.205 1.00 0.00 C ATOM 1906 O ASN B 107 14.993 2.081 15.300 1.00 0.00 O ATOM 1907 CB ASN B 107 18.091 2.286 16.661 1.00 0.00 C ATOM 1908 CG ASN B 107 17.932 3.635 17.334 1.00 0.00 C ATOM 1909 OD1 ASN B 107 16.946 3.894 18.005 1.00 0.00 O ATOM 1910 ND2 ASN B 107 18.912 4.502 17.201 1.00 0.00 N ATOM 0 H ASN B 107 19.089 3.165 14.453 1.00 0.00 H new ATOM 0 HA ASN B 107 17.221 1.109 15.173 1.00 0.00 H new ATOM 0 HB2 ASN B 107 17.689 1.515 17.319 1.00 0.00 H new ATOM 0 HB3 ASN B 107 19.154 2.077 16.538 1.00 0.00 H new ATOM 0 HD21 ASN B 107 18.856 5.410 17.663 1.00 0.00 H new ATOM 0 HD22 ASN B 107 19.728 4.267 16.636 1.00 0.00 H new ATOM 1917 N TYR B 108 15.893 4.103 14.941 1.00 0.00 N ATOM 1918 CA TYR B 108 14.593 4.750 14.770 1.00 0.00 C ATOM 1919 C TYR B 108 13.853 4.241 13.519 1.00 0.00 C ATOM 1920 O TYR B 108 12.722 3.760 13.607 1.00 0.00 O ATOM 1921 CB TYR B 108 14.785 6.268 14.750 1.00 0.00 C ATOM 1922 CG TYR B 108 13.488 7.057 14.758 1.00 0.00 C ATOM 1923 CD1 TYR B 108 12.750 7.204 13.572 1.00 0.00 C ATOM 1924 CD2 TYR B 108 13.039 7.686 15.934 1.00 0.00 C ATOM 1925 CE1 TYR B 108 11.645 8.065 13.526 1.00 0.00 C ATOM 1926 CE2 TYR B 108 11.859 8.451 15.909 1.00 0.00 C ATOM 1927 CZ TYR B 108 11.162 8.638 14.706 1.00 0.00 C ATOM 1928 OH TYR B 108 10.005 9.346 14.711 1.00 0.00 O ATOM 0 H TYR B 108 16.693 4.728 14.842 1.00 0.00 H new ATOM 0 HA TYR B 108 13.956 4.489 15.615 1.00 0.00 H new ATOM 0 HB2 TYR B 108 15.380 6.560 15.615 1.00 0.00 H new ATOM 0 HB3 TYR B 108 15.357 6.539 13.863 1.00 0.00 H new ATOM 0 HD1 TYR B 108 13.036 6.650 12.690 1.00 0.00 H new ATOM 0 HD2 TYR B 108 13.598 7.582 16.852 1.00 0.00 H new ATOM 0 HE1 TYR B 108 11.168 8.285 12.582 1.00 0.00 H new ATOM 0 HE2 TYR B 108 11.488 8.896 16.820 1.00 0.00 H new ATOM 0 HH TYR B 108 9.438 9.051 13.968 1.00 0.00 H new ATOM 1938 N ILE B 109 14.481 4.323 12.342 1.00 0.00 N ATOM 1939 CA ILE B 109 13.887 3.871 11.081 1.00 0.00 C ATOM 1940 C ILE B 109 13.396 2.420 11.200 1.00 0.00 C ATOM 1941 O ILE B 109 12.288 2.118 10.783 1.00 0.00 O ATOM 1942 CB ILE B 109 14.837 4.067 9.874 1.00 0.00 C ATOM 1943 CG1 ILE B 109 14.100 4.561 8.625 1.00 0.00 C ATOM 1944 CG2 ILE B 109 15.569 2.774 9.512 1.00 0.00 C ATOM 1945 CD1 ILE B 109 14.959 4.444 7.358 1.00 0.00 C ATOM 0 H ILE B 109 15.420 4.707 12.237 1.00 0.00 H new ATOM 0 HA ILE B 109 13.020 4.502 10.885 1.00 0.00 H new ATOM 0 HB ILE B 109 15.554 4.824 10.191 1.00 0.00 H new ATOM 0 HG12 ILE B 109 13.184 3.985 8.495 1.00 0.00 H new ATOM 0 HG13 ILE B 109 13.805 5.601 8.767 1.00 0.00 H new ATOM 0 HG21 ILE B 109 16.225 2.954 8.661 1.00 0.00 H new ATOM 0 HG22 ILE B 109 16.162 2.441 10.364 1.00 0.00 H new ATOM 0 HG23 ILE B 109 14.842 2.004 9.253 1.00 0.00 H new ATOM 0 HD11 ILE B 109 14.393 4.806 6.500 1.00 0.00 H new ATOM 0 HD12 ILE B 109 15.863 5.042 7.475 1.00 0.00 H new ATOM 0 HD13 ILE B 109 15.232 3.401 7.198 1.00 0.00 H new ATOM 1957 N GLU B 110 14.179 1.507 11.792 1.00 0.00 N ATOM 1958 CA GLU B 110 13.791 0.110 11.967 1.00 0.00 C ATOM 1959 C GLU B 110 12.586 -0.018 12.919 1.00 0.00 C ATOM 1960 O GLU B 110 11.718 -0.871 12.710 1.00 0.00 O ATOM 1961 CB GLU B 110 14.998 -0.728 12.418 1.00 0.00 C ATOM 1962 CG GLU B 110 16.120 -0.759 11.355 1.00 0.00 C ATOM 1963 CD GLU B 110 15.969 -1.807 10.278 1.00 0.00 C ATOM 1964 OE1 GLU B 110 16.356 -2.965 10.546 1.00 0.00 O ATOM 1965 OE2 GLU B 110 15.531 -1.460 9.162 1.00 0.00 O ATOM 0 H GLU B 110 15.104 1.724 12.163 1.00 0.00 H new ATOM 0 HA GLU B 110 13.464 -0.289 11.006 1.00 0.00 H new ATOM 0 HB2 GLU B 110 15.393 -0.321 13.349 1.00 0.00 H new ATOM 0 HB3 GLU B 110 14.672 -1.746 12.629 1.00 0.00 H new ATOM 0 HG2 GLU B 110 16.173 0.220 10.879 1.00 0.00 H new ATOM 0 HG3 GLU B 110 17.072 -0.919 11.862 1.00 0.00 H new ATOM 1972 N THR B 111 12.497 0.846 13.935 1.00 0.00 N ATOM 1973 CA THR B 111 11.307 0.968 14.784 1.00 0.00 C ATOM 1974 C THR B 111 10.072 1.401 13.979 1.00 0.00 C ATOM 1975 O THR B 111 9.102 0.646 13.910 1.00 0.00 O ATOM 1976 CB THR B 111 11.566 1.881 15.993 1.00 0.00 C ATOM 1977 OG1 THR B 111 12.657 1.364 16.725 1.00 0.00 O ATOM 1978 CG2 THR B 111 10.368 1.910 16.942 1.00 0.00 C ATOM 0 H THR B 111 13.251 1.483 14.193 1.00 0.00 H new ATOM 0 HA THR B 111 11.087 -0.024 15.179 1.00 0.00 H new ATOM 0 HB THR B 111 11.758 2.886 15.616 1.00 0.00 H new ATOM 0 HG1 THR B 111 13.495 1.601 16.275 1.00 0.00 H new ATOM 0 HG21 THR B 111 10.587 2.565 17.785 1.00 0.00 H new ATOM 0 HG22 THR B 111 9.492 2.283 16.411 1.00 0.00 H new ATOM 0 HG23 THR B 111 10.169 0.903 17.308 1.00 0.00 H new ATOM 1986 N GLN B 112 10.099 2.548 13.296 1.00 0.00 N ATOM 1987 CA GLN B 112 8.963 3.014 12.494 1.00 0.00 C ATOM 1988 C GLN B 112 8.606 2.029 11.359 1.00 0.00 C ATOM 1989 O GLN B 112 7.453 1.685 11.121 1.00 0.00 O ATOM 1990 CB GLN B 112 9.266 4.414 11.947 1.00 0.00 C ATOM 1991 CG GLN B 112 9.639 5.467 12.995 1.00 0.00 C ATOM 1992 CD GLN B 112 8.488 5.781 13.931 1.00 0.00 C ATOM 1993 OE1 GLN B 112 8.157 4.997 14.810 1.00 0.00 O ATOM 1994 NE2 GLN B 112 7.842 6.913 13.744 1.00 0.00 N ATOM 0 H GLN B 112 10.902 3.177 13.282 1.00 0.00 H new ATOM 0 HA GLN B 112 8.086 3.064 13.139 1.00 0.00 H new ATOM 0 HB2 GLN B 112 10.083 4.335 11.230 1.00 0.00 H new ATOM 0 HB3 GLN B 112 8.393 4.767 11.398 1.00 0.00 H new ATOM 0 HG2 GLN B 112 10.490 5.112 13.576 1.00 0.00 H new ATOM 0 HG3 GLN B 112 9.955 6.381 12.492 1.00 0.00 H new ATOM 0 HE21 GLN B 112 8.136 7.552 13.005 1.00 0.00 H new ATOM 0 HE22 GLN B 112 7.048 7.151 14.338 1.00 0.00 H new ATOM 2003 N ARG B 113 9.617 1.490 10.687 1.00 0.00 N ATOM 2004 CA ARG B 113 9.514 0.365 9.762 1.00 0.00 C ATOM 2005 C ARG B 113 8.852 -0.866 10.422 1.00 0.00 C ATOM 2006 O ARG B 113 8.174 -1.650 9.762 1.00 0.00 O ATOM 2007 CB ARG B 113 10.931 0.080 9.233 1.00 0.00 C ATOM 2008 CG ARG B 113 11.011 -1.025 8.179 1.00 0.00 C ATOM 2009 CD ARG B 113 12.471 -1.173 7.728 1.00 0.00 C ATOM 2010 NE ARG B 113 12.626 -2.359 6.852 1.00 0.00 N ATOM 2011 CZ ARG B 113 13.382 -3.443 7.082 1.00 0.00 C ATOM 2012 NH1 ARG B 113 14.243 -3.511 8.074 1.00 0.00 N ATOM 2013 NH2 ARG B 113 13.281 -4.502 6.306 1.00 0.00 N ATOM 0 H ARG B 113 10.571 1.839 10.775 1.00 0.00 H new ATOM 0 HA ARG B 113 8.858 0.611 8.927 1.00 0.00 H new ATOM 0 HB2 ARG B 113 11.337 0.998 8.808 1.00 0.00 H new ATOM 0 HB3 ARG B 113 11.570 -0.192 10.073 1.00 0.00 H new ATOM 0 HG2 ARG B 113 10.646 -1.966 8.590 1.00 0.00 H new ATOM 0 HG3 ARG B 113 10.376 -0.781 7.327 1.00 0.00 H new ATOM 0 HD2 ARG B 113 12.786 -0.276 7.195 1.00 0.00 H new ATOM 0 HD3 ARG B 113 13.119 -1.270 8.599 1.00 0.00 H new ATOM 0 HE ARG B 113 12.100 -2.350 5.978 1.00 0.00 H new ATOM 0 HH11 ARG B 113 14.356 -2.719 8.706 1.00 0.00 H new ATOM 0 HH12 ARG B 113 14.797 -4.356 8.211 1.00 0.00 H new ATOM 0 HH21 ARG B 113 12.625 -4.501 5.525 1.00 0.00 H new ATOM 0 HH22 ARG B 113 13.859 -5.323 6.486 1.00 0.00 H new ATOM 2027 N THR B 114 9.036 -1.081 11.726 1.00 0.00 N ATOM 2028 CA THR B 114 8.333 -2.113 12.494 1.00 0.00 C ATOM 2029 C THR B 114 6.894 -1.737 12.869 1.00 0.00 C ATOM 2030 O THR B 114 6.017 -2.595 12.763 1.00 0.00 O ATOM 2031 CB THR B 114 9.191 -2.613 13.663 1.00 0.00 C ATOM 2032 OG1 THR B 114 10.311 -3.265 13.087 1.00 0.00 O ATOM 2033 CG2 THR B 114 8.462 -3.629 14.543 1.00 0.00 C ATOM 0 H THR B 114 9.688 -0.534 12.288 1.00 0.00 H new ATOM 0 HA THR B 114 8.195 -2.968 11.832 1.00 0.00 H new ATOM 0 HB THR B 114 9.453 -1.764 14.294 1.00 0.00 H new ATOM 0 HG1 THR B 114 10.991 -2.600 12.850 1.00 0.00 H new ATOM 0 HG21 THR B 114 9.119 -3.946 15.353 1.00 0.00 H new ATOM 0 HG22 THR B 114 7.566 -3.171 14.961 1.00 0.00 H new ATOM 0 HG23 THR B 114 8.181 -4.495 13.943 1.00 0.00 H new ATOM 2041 N TYR B 115 6.606 -0.474 13.184 1.00 0.00 N ATOM 2042 CA TYR B 115 5.233 0.039 13.133 1.00 0.00 C ATOM 2043 C TYR B 115 4.566 -0.328 11.795 1.00 0.00 C ATOM 2044 O TYR B 115 3.568 -1.050 11.774 1.00 0.00 O ATOM 2045 CB TYR B 115 5.221 1.554 13.417 1.00 0.00 C ATOM 2046 CG TYR B 115 4.167 2.351 12.663 1.00 0.00 C ATOM 2047 CD1 TYR B 115 2.802 2.121 12.914 1.00 0.00 C ATOM 2048 CD2 TYR B 115 4.548 3.242 11.638 1.00 0.00 C ATOM 2049 CE1 TYR B 115 1.826 2.780 12.148 1.00 0.00 C ATOM 2050 CE2 TYR B 115 3.568 3.891 10.867 1.00 0.00 C ATOM 2051 CZ TYR B 115 2.213 3.679 11.143 1.00 0.00 C ATOM 2052 OH TYR B 115 1.261 4.375 10.468 1.00 0.00 O ATOM 0 H TYR B 115 7.301 0.212 13.477 1.00 0.00 H new ATOM 0 HA TYR B 115 4.638 -0.435 13.914 1.00 0.00 H new ATOM 0 HB2 TYR B 115 5.070 1.705 14.486 1.00 0.00 H new ATOM 0 HB3 TYR B 115 6.203 1.960 13.173 1.00 0.00 H new ATOM 0 HD1 TYR B 115 2.504 1.438 13.696 1.00 0.00 H new ATOM 0 HD2 TYR B 115 5.595 3.426 11.445 1.00 0.00 H new ATOM 0 HE1 TYR B 115 0.778 2.595 12.333 1.00 0.00 H new ATOM 0 HE2 TYR B 115 3.860 4.551 10.064 1.00 0.00 H new ATOM 0 HH TYR B 115 1.083 5.220 10.932 1.00 0.00 H new ATOM 2062 N TRP B 116 5.150 0.084 10.669 1.00 0.00 N ATOM 2063 CA TRP B 116 4.651 -0.290 9.350 1.00 0.00 C ATOM 2064 C TRP B 116 4.528 -1.804 9.152 1.00 0.00 C ATOM 2065 O TRP B 116 3.537 -2.268 8.599 1.00 0.00 O ATOM 2066 CB TRP B 116 5.470 0.361 8.237 1.00 0.00 C ATOM 2067 CG TRP B 116 4.972 1.706 7.824 1.00 0.00 C ATOM 2068 CD1 TRP B 116 5.686 2.849 7.858 1.00 0.00 C ATOM 2069 CD2 TRP B 116 3.650 2.070 7.315 1.00 0.00 C ATOM 2070 NE1 TRP B 116 4.904 3.886 7.397 1.00 0.00 N ATOM 2071 CE2 TRP B 116 3.660 3.459 7.004 1.00 0.00 C ATOM 2072 CE3 TRP B 116 2.438 1.378 7.095 1.00 0.00 C ATOM 2073 CZ2 TRP B 116 2.553 4.119 6.455 1.00 0.00 C ATOM 2074 CZ3 TRP B 116 1.303 2.043 6.595 1.00 0.00 C ATOM 2075 CH2 TRP B 116 1.370 3.399 6.234 1.00 0.00 C ATOM 0 H TRP B 116 5.976 0.682 10.648 1.00 0.00 H new ATOM 0 HA TRP B 116 3.635 0.100 9.291 1.00 0.00 H new ATOM 0 HB2 TRP B 116 6.504 0.454 8.568 1.00 0.00 H new ATOM 0 HB3 TRP B 116 5.471 -0.297 7.368 1.00 0.00 H new ATOM 0 HD1 TRP B 116 6.709 2.938 8.193 1.00 0.00 H new ATOM 0 HE1 TRP B 116 5.213 4.857 7.353 1.00 0.00 H new ATOM 0 HE3 TRP B 116 2.382 0.322 7.314 1.00 0.00 H new ATOM 0 HZ2 TRP B 116 2.610 5.168 6.205 1.00 0.00 H new ATOM 0 HZ3 TRP B 116 0.372 1.506 6.488 1.00 0.00 H new ATOM 0 HH2 TRP B 116 0.514 3.885 5.788 1.00 0.00 H new ATOM 2086 N LYS B 117 5.481 -2.603 9.628 1.00 0.00 N ATOM 2087 CA LYS B 117 5.329 -4.056 9.614 1.00 0.00 C ATOM 2088 C LYS B 117 4.043 -4.519 10.333 1.00 0.00 C ATOM 2089 O LYS B 117 3.227 -5.224 9.743 1.00 0.00 O ATOM 2090 CB LYS B 117 6.588 -4.702 10.214 1.00 0.00 C ATOM 2091 CG LYS B 117 6.609 -6.231 10.168 1.00 0.00 C ATOM 2092 CD LYS B 117 8.032 -6.803 10.321 1.00 0.00 C ATOM 2093 CE LYS B 117 8.862 -6.259 11.500 1.00 0.00 C ATOM 2094 NZ LYS B 117 9.620 -5.033 11.152 1.00 0.00 N ATOM 0 H LYS B 117 6.360 -2.272 10.025 1.00 0.00 H new ATOM 0 HA LYS B 117 5.221 -4.384 8.580 1.00 0.00 H new ATOM 0 HB2 LYS B 117 7.461 -4.325 9.682 1.00 0.00 H new ATOM 0 HB3 LYS B 117 6.684 -4.382 11.252 1.00 0.00 H new ATOM 0 HG2 LYS B 117 5.975 -6.625 10.962 1.00 0.00 H new ATOM 0 HG3 LYS B 117 6.184 -6.569 9.223 1.00 0.00 H new ATOM 0 HD2 LYS B 117 7.956 -7.885 10.426 1.00 0.00 H new ATOM 0 HD3 LYS B 117 8.580 -6.610 9.399 1.00 0.00 H new ATOM 0 HE2 LYS B 117 8.198 -6.045 12.337 1.00 0.00 H new ATOM 0 HE3 LYS B 117 9.558 -7.028 11.834 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 9.515 -4.332 11.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 10.626 -5.269 11.034 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 9.251 -4.637 10.264 1.00 0.00 H new ATOM 2108 N LEU B 118 3.851 -4.125 11.596 1.00 0.00 N ATOM 2109 CA LEU B 118 2.683 -4.515 12.393 1.00 0.00 C ATOM 2110 C LEU B 118 1.365 -4.001 11.783 1.00 0.00 C ATOM 2111 O LEU B 118 0.346 -4.697 11.764 1.00 0.00 O ATOM 2112 CB LEU B 118 2.859 -4.003 13.830 1.00 0.00 C ATOM 2113 CG LEU B 118 4.036 -4.656 14.573 1.00 0.00 C ATOM 2114 CD1 LEU B 118 4.345 -3.849 15.837 1.00 0.00 C ATOM 2115 CD2 LEU B 118 3.726 -6.106 14.967 1.00 0.00 C ATOM 0 H LEU B 118 4.505 -3.523 12.097 1.00 0.00 H new ATOM 0 HA LEU B 118 2.618 -5.603 12.397 1.00 0.00 H new ATOM 0 HB2 LEU B 118 3.008 -2.923 13.807 1.00 0.00 H new ATOM 0 HB3 LEU B 118 1.941 -4.186 14.388 1.00 0.00 H new ATOM 0 HG LEU B 118 4.894 -4.663 13.901 1.00 0.00 H new ATOM 0 HD11 LEU B 118 5.179 -4.309 16.367 1.00 0.00 H new ATOM 0 HD12 LEU B 118 4.609 -2.828 15.561 1.00 0.00 H new ATOM 0 HD13 LEU B 118 3.468 -3.835 16.484 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.582 -6.532 15.490 1.00 0.00 H new ATOM 0 HD22 LEU B 118 2.854 -6.127 15.621 1.00 0.00 H new ATOM 0 HD23 LEU B 118 3.521 -6.691 14.070 1.00 0.00 H new ATOM 2127 N GLU B 119 1.387 -2.790 11.235 1.00 0.00 N ATOM 2128 CA GLU B 119 0.284 -2.195 10.495 1.00 0.00 C ATOM 2129 C GLU B 119 -0.034 -3.001 9.214 1.00 0.00 C ATOM 2130 O GLU B 119 -1.155 -3.470 9.007 1.00 0.00 O ATOM 2131 CB GLU B 119 0.670 -0.724 10.260 1.00 0.00 C ATOM 2132 CG GLU B 119 -0.369 0.128 9.516 1.00 0.00 C ATOM 2133 CD GLU B 119 -1.784 -0.063 10.021 1.00 0.00 C ATOM 2134 OE1 GLU B 119 -2.030 0.213 11.210 1.00 0.00 O ATOM 2135 OE2 GLU B 119 -2.609 -0.550 9.222 1.00 0.00 O ATOM 0 H GLU B 119 2.200 -2.178 11.297 1.00 0.00 H new ATOM 0 HA GLU B 119 -0.655 -2.225 11.048 1.00 0.00 H new ATOM 0 HB2 GLU B 119 0.867 -0.261 11.227 1.00 0.00 H new ATOM 0 HB3 GLU B 119 1.603 -0.698 9.698 1.00 0.00 H new ATOM 0 HG2 GLU B 119 -0.098 1.180 9.609 1.00 0.00 H new ATOM 0 HG3 GLU B 119 -0.335 -0.117 8.455 1.00 0.00 H new ATOM 2142 N ASN B 120 0.971 -3.247 8.373 1.00 0.00 N ATOM 2143 CA ASN B 120 0.894 -4.039 7.140 1.00 0.00 C ATOM 2144 C ASN B 120 0.661 -5.537 7.363 1.00 0.00 C ATOM 2145 O ASN B 120 0.321 -6.259 6.423 1.00 0.00 O ATOM 2146 CB ASN B 120 2.094 -3.754 6.229 1.00 0.00 C ATOM 2147 CG ASN B 120 2.095 -2.313 5.740 1.00 0.00 C ATOM 2148 OD1 ASN B 120 1.064 -1.761 5.365 1.00 0.00 O ATOM 2149 ND2 ASN B 120 3.251 -1.684 5.711 1.00 0.00 N ATOM 0 H ASN B 120 1.909 -2.882 8.540 1.00 0.00 H new ATOM 0 HA ASN B 120 -0.007 -3.707 6.624 1.00 0.00 H new ATOM 0 HB2 ASN B 120 3.018 -3.956 6.770 1.00 0.00 H new ATOM 0 HB3 ASN B 120 2.071 -4.429 5.374 1.00 0.00 H new ATOM 0 HD21 ASN B 120 3.300 -0.723 5.373 1.00 0.00 H new ATOM 0 HD22 ASN B 120 4.097 -2.158 6.026 1.00 0.00 H new ATOM 2156 N GLN B 121 0.790 -6.008 8.598 1.00 0.00 N ATOM 2157 CA GLN B 121 0.298 -7.313 9.030 1.00 0.00 C ATOM 2158 C GLN B 121 -1.237 -7.394 8.920 1.00 0.00 C ATOM 2159 O GLN B 121 -1.764 -8.420 8.498 1.00 0.00 O ATOM 2160 CB GLN B 121 0.865 -7.615 10.431 1.00 0.00 C ATOM 2161 CG GLN B 121 -0.135 -8.169 11.458 1.00 0.00 C ATOM 2162 CD GLN B 121 0.462 -8.173 12.858 1.00 0.00 C ATOM 2163 OE1 GLN B 121 0.871 -9.197 13.379 1.00 0.00 O ATOM 2164 NE2 GLN B 121 0.531 -7.013 13.487 1.00 0.00 N ATOM 0 H GLN B 121 1.249 -5.483 9.343 1.00 0.00 H new ATOM 0 HA GLN B 121 0.654 -8.102 8.368 1.00 0.00 H new ATOM 0 HB2 GLN B 121 1.680 -8.331 10.325 1.00 0.00 H new ATOM 0 HB3 GLN B 121 1.296 -6.698 10.832 1.00 0.00 H new ATOM 0 HG2 GLN B 121 -1.043 -7.566 11.448 1.00 0.00 H new ATOM 0 HG3 GLN B 121 -0.423 -9.183 11.179 1.00 0.00 H new ATOM 0 HE21 GLN B 121 0.184 -6.167 13.036 1.00 0.00 H new ATOM 0 HE22 GLN B 121 0.931 -6.964 14.424 1.00 0.00 H new ATOM 2173 N LYS B 122 -1.962 -6.321 9.259 1.00 0.00 N ATOM 2174 CA LYS B 122 -3.424 -6.325 9.203 1.00 0.00 C ATOM 2175 C LYS B 122 -3.971 -6.577 7.777 1.00 0.00 C ATOM 2176 O LYS B 122 -3.432 -6.075 6.784 1.00 0.00 O ATOM 2177 CB LYS B 122 -3.987 -5.039 9.826 1.00 0.00 C ATOM 2178 CG LYS B 122 -3.854 -5.021 11.359 1.00 0.00 C ATOM 2179 CD LYS B 122 -4.430 -3.719 11.947 1.00 0.00 C ATOM 2180 CE LYS B 122 -3.381 -2.597 11.909 1.00 0.00 C ATOM 2181 NZ LYS B 122 -3.975 -1.261 12.121 1.00 0.00 N ATOM 0 H LYS B 122 -1.557 -5.440 9.575 1.00 0.00 H new ATOM 0 HA LYS B 122 -3.772 -7.169 9.798 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -3.465 -4.178 9.409 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -5.038 -4.937 9.554 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -4.377 -5.878 11.783 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -2.805 -5.117 11.638 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -5.313 -3.418 11.383 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -4.751 -3.889 12.975 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -2.628 -2.782 12.675 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -2.869 -2.615 10.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -3.221 -0.574 12.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -4.489 -0.970 11.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -4.634 -1.298 12.925 1.00 0.00 H new ATOM 2195 N LYS B 123 -5.034 -7.383 7.702 1.00 0.00 N ATOM 2196 CA LYS B 123 -5.579 -8.022 6.503 1.00 0.00 C ATOM 2197 C LYS B 123 -7.022 -7.558 6.236 1.00 0.00 C ATOM 2198 O LYS B 123 -7.817 -7.464 7.166 1.00 0.00 O ATOM 2199 CB LYS B 123 -5.504 -9.537 6.772 1.00 0.00 C ATOM 2200 CG LYS B 123 -5.864 -10.447 5.590 1.00 0.00 C ATOM 2201 CD LYS B 123 -7.369 -10.770 5.527 1.00 0.00 C ATOM 2202 CE LYS B 123 -7.688 -11.609 4.281 1.00 0.00 C ATOM 2203 NZ LYS B 123 -7.626 -10.788 3.053 1.00 0.00 N ATOM 0 H LYS B 123 -5.572 -7.622 8.535 1.00 0.00 H new ATOM 0 HA LYS B 123 -5.016 -7.754 5.609 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -4.492 -9.779 7.096 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -6.170 -9.772 7.602 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -5.560 -9.966 4.660 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -5.300 -11.376 5.667 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -7.668 -11.312 6.424 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -7.945 -9.845 5.507 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -6.981 -12.435 4.205 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -8.681 -12.047 4.379 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -7.506 -11.408 2.227 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -8.507 -10.245 2.954 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -6.821 -10.133 3.114 1.00 0.00 H new ATOM 2217 N LEU B 124 -7.397 -7.300 4.978 1.00 0.00 N ATOM 2218 CA LEU B 124 -8.774 -6.928 4.633 1.00 0.00 C ATOM 2219 C LEU B 124 -9.632 -8.191 4.449 1.00 0.00 C ATOM 2220 O LEU B 124 -9.535 -8.893 3.440 1.00 0.00 O ATOM 2221 CB LEU B 124 -8.803 -6.033 3.382 1.00 0.00 C ATOM 2222 CG LEU B 124 -9.819 -4.884 3.511 1.00 0.00 C ATOM 2223 CD1 LEU B 124 -9.876 -4.098 2.201 1.00 0.00 C ATOM 2224 CD2 LEU B 124 -11.242 -5.351 3.836 1.00 0.00 C ATOM 0 H LEU B 124 -6.764 -7.342 4.179 1.00 0.00 H new ATOM 0 HA LEU B 124 -9.199 -6.349 5.453 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -7.809 -5.619 3.211 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -9.051 -6.638 2.510 1.00 0.00 H new ATOM 0 HG LEU B 124 -9.470 -4.271 4.342 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -10.596 -3.285 2.295 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -8.891 -3.686 1.981 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -10.181 -4.761 1.392 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -11.901 -4.486 3.911 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -11.598 -6.010 3.045 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -11.241 -5.889 4.784 1.00 0.00 H new ATOM 2236 N TYR B 125 -10.429 -8.557 5.448 1.00 0.00 N ATOM 2237 CA TYR B 125 -11.231 -9.793 5.425 1.00 0.00 C ATOM 2238 C TYR B 125 -12.498 -9.697 4.545 1.00 0.00 C ATOM 2239 O TYR B 125 -13.296 -10.627 4.509 1.00 0.00 O ATOM 2240 CB TYR B 125 -11.533 -10.250 6.861 1.00 0.00 C ATOM 2241 CG TYR B 125 -12.162 -9.163 7.700 1.00 0.00 C ATOM 2242 CD1 TYR B 125 -11.312 -8.292 8.405 1.00 0.00 C ATOM 2243 CD2 TYR B 125 -13.478 -8.765 7.408 1.00 0.00 C ATOM 2244 CE1 TYR B 125 -11.665 -6.941 8.530 1.00 0.00 C ATOM 2245 CE2 TYR B 125 -13.842 -7.418 7.561 1.00 0.00 C ATOM 2246 CZ TYR B 125 -12.909 -6.499 8.056 1.00 0.00 C ATOM 2247 OH TYR B 125 -13.164 -5.174 7.931 1.00 0.00 O ATOM 0 H TYR B 125 -10.543 -8.010 6.301 1.00 0.00 H new ATOM 0 HA TYR B 125 -10.630 -10.562 4.940 1.00 0.00 H new ATOM 0 HB2 TYR B 125 -12.200 -11.111 6.831 1.00 0.00 H new ATOM 0 HB3 TYR B 125 -10.608 -10.579 7.335 1.00 0.00 H new ATOM 0 HD1 TYR B 125 -10.397 -8.660 8.845 1.00 0.00 H new ATOM 0 HD2 TYR B 125 -14.203 -9.490 7.069 1.00 0.00 H new ATOM 0 HE1 TYR B 125 -10.981 -6.243 8.990 1.00 0.00 H new ATOM 0 HE2 TYR B 125 -14.837 -7.092 7.298 1.00 0.00 H new ATOM 0 HH TYR B 125 -12.407 -4.736 7.489 1.00 0.00 H new ATOM 2257 N ARG B 126 -12.675 -8.601 3.800 1.00 0.00 N ATOM 2258 CA ARG B 126 -13.722 -8.400 2.787 1.00 0.00 C ATOM 2259 C ARG B 126 -15.116 -8.127 3.382 1.00 0.00 C ATOM 2260 O ARG B 126 -15.790 -7.186 2.975 1.00 0.00 O ATOM 2261 CB ARG B 126 -13.738 -9.536 1.743 1.00 0.00 C ATOM 2262 CG ARG B 126 -12.351 -9.960 1.224 1.00 0.00 C ATOM 2263 CD ARG B 126 -11.572 -8.783 0.630 1.00 0.00 C ATOM 2264 NE ARG B 126 -10.208 -9.175 0.213 1.00 0.00 N ATOM 2265 CZ ARG B 126 -9.825 -9.637 -0.980 1.00 0.00 C ATOM 2266 NH1 ARG B 126 -10.673 -9.977 -1.931 1.00 0.00 N ATOM 2267 NH2 ARG B 126 -8.541 -9.735 -1.245 1.00 0.00 N ATOM 0 H ARG B 126 -12.064 -7.789 3.890 1.00 0.00 H new ATOM 0 HA ARG B 126 -13.454 -7.483 2.262 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -14.227 -10.406 2.182 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -14.347 -9.222 0.895 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -11.777 -10.398 2.041 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -12.469 -10.735 0.466 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -12.114 -8.386 -0.229 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -11.510 -7.981 1.366 1.00 0.00 H new ATOM 0 HE ARG B 126 -9.476 -9.082 0.917 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -11.677 -9.892 -1.773 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -10.325 -10.325 -2.825 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -7.853 -9.460 -0.544 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -8.233 -10.086 -2.152 1.00 0.00 H new