USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 694 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 73 LYS NZ :NH3+ 146:sc= -8.44! (180deg=-11.7!) USER MOD Set 1.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 19 ASN : amide:sc=-0.00271 X(o=-0.0027,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 32 THR OG1 : rot 88:sc= 0.237 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -3.82! C(o=-5.4!,f=-3.8!) USER MOD Single : A 35 ASN :FLIP amide:sc= -5.52! C(o=-6.5!,f=-5.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.58) USER MOD Single : A 40 SER OG : rot 180:sc= -0.261 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 38:sc= 0.763 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.115 F(o=-1.4!,f=-0.11) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -1.7 USER MOD Single : A 61 TYR OH : rot 180:sc= -1.95 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= -0.242 (180deg=-0.852) USER MOD Single : A 82 LYS NZ :NH3+ -111:sc= 0.452 (180deg=-0.317) USER MOD Single : A 85 MET CE :methyl -170:sc=-0.00817 (180deg=-0.194) USER MOD Single : A 88 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0349) USER MOD Single : A 91 GLN : amide:sc= -0.0248 K(o=-0.025,f=-1.4) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N GLU A 13 -12.369 -4.442 2.011 1.00 0.00 N ATOM 148 CA GLU A 13 -13.017 -3.602 2.999 1.00 0.00 C ATOM 149 C GLU A 13 -12.288 -2.270 3.105 1.00 0.00 C ATOM 150 O GLU A 13 -11.069 -2.235 3.251 1.00 0.00 O ATOM 151 CB GLU A 13 -13.029 -4.321 4.344 1.00 0.00 C ATOM 152 CG GLU A 13 -14.452 -4.766 4.671 1.00 0.00 C ATOM 153 CD GLU A 13 -14.609 -5.034 6.161 1.00 0.00 C ATOM 154 OE1 GLU A 13 -13.915 -5.952 6.647 1.00 0.00 O ATOM 155 OE2 GLU A 13 -15.421 -4.316 6.784 1.00 0.00 O ATOM 0 HA GLU A 13 -14.046 -3.405 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.365 -5.185 4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.655 -3.659 5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.158 -3.997 4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.694 -5.667 4.108 1.00 0.00 H new ATOM 162 N PRO A 14 -13.043 -1.171 3.032 1.00 0.00 N ATOM 163 CA PRO A 14 -12.528 0.179 3.116 1.00 0.00 C ATOM 164 C PRO A 14 -12.108 0.477 4.548 1.00 0.00 C ATOM 165 O PRO A 14 -12.774 0.059 5.492 1.00 0.00 O ATOM 166 CB PRO A 14 -13.693 1.070 2.690 1.00 0.00 C ATOM 167 CG PRO A 14 -14.914 0.263 3.130 1.00 0.00 C ATOM 168 CD PRO A 14 -14.479 -1.175 2.860 1.00 0.00 C ATOM 0 HA PRO A 14 -11.652 0.339 2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.656 2.045 3.176 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.693 1.250 1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.149 0.425 4.182 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.804 0.531 2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.957 -1.868 3.552 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.755 -1.488 1.853 1.00 0.00 H new ATOM 176 N VAL A 15 -10.998 1.200 4.708 1.00 0.00 N ATOM 177 CA VAL A 15 -10.493 1.548 6.021 1.00 0.00 C ATOM 178 C VAL A 15 -9.707 2.849 5.943 1.00 0.00 C ATOM 179 O VAL A 15 -9.837 3.600 4.979 1.00 0.00 O ATOM 180 CB VAL A 15 -9.615 0.415 6.546 1.00 0.00 C ATOM 181 CG1 VAL A 15 -9.736 0.339 8.064 1.00 0.00 C ATOM 182 CG2 VAL A 15 -10.071 -0.906 5.931 1.00 0.00 C ATOM 0 H VAL A 15 -10.435 1.554 3.935 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.326 1.691 6.709 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.576 0.603 6.275 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.109 -0.470 8.439 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.411 1.283 8.503 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.774 0.150 8.337 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.445 -1.716 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.110 -1.095 6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.984 -0.851 4.846 1.00 0.00 H new ATOM 192 N GLY A 16 -8.886 3.115 6.963 1.00 0.00 N ATOM 193 CA GLY A 16 -8.085 4.322 7.000 1.00 0.00 C ATOM 194 C GLY A 16 -7.663 4.631 8.430 1.00 0.00 C ATOM 195 O GLY A 16 -7.103 3.779 9.114 1.00 0.00 O ATOM 0 H GLY A 16 -8.765 2.504 7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.203 4.201 6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.654 5.157 6.593 1.00 0.00 H new ATOM 199 N ASN A 17 -7.936 5.858 8.879 1.00 0.00 N ATOM 200 CA ASN A 17 -7.585 6.273 10.222 1.00 0.00 C ATOM 201 C ASN A 17 -6.117 5.974 10.491 1.00 0.00 C ATOM 202 O ASN A 17 -5.786 4.939 11.065 1.00 0.00 O ATOM 203 CB ASN A 17 -8.477 5.550 11.227 1.00 0.00 C ATOM 204 CG ASN A 17 -9.932 5.969 11.063 1.00 0.00 C ATOM 205 OD1 ASN A 17 -10.647 5.419 10.229 1.00 0.00 O ATOM 206 ND2 ASN A 17 -10.367 6.945 11.863 1.00 0.00 N ATOM 0 H ASN A 17 -8.400 6.577 8.324 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.740 7.347 10.325 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.387 4.472 11.090 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.143 5.771 12.241 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.333 7.266 11.797 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.733 7.370 12.540 1.00 0.00 H new ATOM 213 N GLU A 18 -5.237 6.887 10.074 1.00 0.00 N ATOM 214 CA GLU A 18 -3.811 6.717 10.273 1.00 0.00 C ATOM 215 C GLU A 18 -3.536 6.271 11.702 1.00 0.00 C ATOM 216 O GLU A 18 -2.459 5.759 12.001 1.00 0.00 O ATOM 217 CB GLU A 18 -3.096 8.030 9.968 1.00 0.00 C ATOM 218 CG GLU A 18 -3.575 9.107 10.938 1.00 0.00 C ATOM 219 CD GLU A 18 -2.827 10.412 10.712 1.00 0.00 C ATOM 220 OE1 GLU A 18 -1.580 10.373 10.789 1.00 0.00 O ATOM 221 OE2 GLU A 18 -3.517 11.426 10.466 1.00 0.00 O ATOM 0 H GLU A 18 -5.496 7.750 9.596 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.436 5.948 9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.018 7.899 10.057 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.296 8.335 8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.645 9.269 10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.426 8.771 11.964 1.00 0.00 H new ATOM 228 N ASN A 19 -4.516 6.468 12.587 1.00 0.00 N ATOM 229 CA ASN A 19 -4.375 6.085 13.978 1.00 0.00 C ATOM 230 C ASN A 19 -3.756 4.698 14.075 1.00 0.00 C ATOM 231 O ASN A 19 -3.181 4.340 15.100 1.00 0.00 O ATOM 232 CB ASN A 19 -5.743 6.114 14.652 1.00 0.00 C ATOM 233 CG ASN A 19 -5.813 7.223 15.694 1.00 0.00 C ATOM 234 OD1 ASN A 19 -6.059 6.958 16.868 1.00 0.00 O ATOM 235 ND2 ASN A 19 -5.592 8.466 15.260 1.00 0.00 N ATOM 0 H ASN A 19 -5.414 6.892 12.356 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.717 6.789 14.487 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.519 6.265 13.902 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.940 5.152 15.125 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.624 9.248 15.914 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.392 8.634 14.274 1.00 0.00 H new ATOM 242 N ASP A 20 -3.876 3.915 12.999 1.00 0.00 N ATOM 243 CA ASP A 20 -3.331 2.573 12.966 1.00 0.00 C ATOM 244 C ASP A 20 -1.891 2.614 12.474 1.00 0.00 C ATOM 245 O ASP A 20 -1.643 2.499 11.273 1.00 0.00 O ATOM 246 CB ASP A 20 -4.189 1.698 12.058 1.00 0.00 C ATOM 247 CG ASP A 20 -5.636 2.168 12.059 1.00 0.00 C ATOM 248 OD1 ASP A 20 -6.125 2.500 13.160 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.228 2.188 10.957 1.00 0.00 O ATOM 0 H ASP A 20 -4.349 4.197 12.141 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.339 2.148 13.970 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.795 1.725 11.042 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.139 0.662 12.392 1.00 0.00 H new ATOM 254 N LEU A 21 -0.947 2.779 13.400 1.00 0.00 N ATOM 255 CA LEU A 21 0.475 2.849 13.062 1.00 0.00 C ATOM 256 C LEU A 21 0.855 1.840 11.975 1.00 0.00 C ATOM 257 O LEU A 21 1.539 2.185 11.012 1.00 0.00 O ATOM 258 CB LEU A 21 1.315 2.602 14.318 1.00 0.00 C ATOM 259 CG LEU A 21 1.089 1.231 14.989 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.401 0.463 15.135 1.00 0.00 C ATOM 261 CD2 LEU A 21 0.421 1.392 16.350 1.00 0.00 C ATOM 0 H LEU A 21 -1.143 2.867 14.397 1.00 0.00 H new ATOM 0 HA LEU A 21 0.676 3.846 12.670 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.369 2.693 14.057 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.097 3.386 15.043 1.00 0.00 H new ATOM 0 HG LEU A 21 0.426 0.657 14.342 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.209 -0.499 15.611 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.838 0.299 14.150 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.094 1.039 15.748 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.273 0.411 16.801 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.056 1.997 16.997 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.544 1.883 16.226 1.00 0.00 H new ATOM 273 N HIS A 22 0.405 0.593 12.149 1.00 0.00 N ATOM 274 CA HIS A 22 0.677 -0.483 11.194 1.00 0.00 C ATOM 275 C HIS A 22 0.294 -0.047 9.768 1.00 0.00 C ATOM 276 O HIS A 22 1.143 -0.084 8.877 1.00 0.00 O ATOM 277 CB HIS A 22 -0.073 -1.757 11.602 1.00 0.00 C ATOM 278 CG HIS A 22 0.424 -2.985 10.898 1.00 0.00 C ATOM 279 ND1 HIS A 22 1.451 -3.766 11.385 1.00 0.00 N ATOM 280 CD2 HIS A 22 0.037 -3.558 9.734 1.00 0.00 C ATOM 281 CE1 HIS A 22 1.676 -4.766 10.551 1.00 0.00 C ATOM 282 NE2 HIS A 22 0.830 -4.663 9.543 1.00 0.00 N ATOM 0 H HIS A 22 -0.155 0.304 12.951 1.00 0.00 H new ATOM 0 HA HIS A 22 1.745 -0.700 11.203 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.023 -1.899 12.678 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.135 -1.629 11.391 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -0.748 -3.211 9.079 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.424 -5.536 10.673 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.774 -5.302 8.750 1.00 0.00 H new ATOM 291 N LEU A 23 -0.963 0.344 9.559 1.00 0.00 N ATOM 292 CA LEU A 23 -1.445 0.754 8.241 1.00 0.00 C ATOM 293 C LEU A 23 -0.489 1.737 7.562 1.00 0.00 C ATOM 294 O LEU A 23 -0.013 1.498 6.454 1.00 0.00 O ATOM 295 CB LEU A 23 -2.834 1.383 8.375 1.00 0.00 C ATOM 296 CG LEU A 23 -3.937 0.423 8.864 1.00 0.00 C ATOM 297 CD1 LEU A 23 -4.744 -0.137 7.696 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.342 -0.716 9.685 1.00 0.00 C ATOM 0 H LEU A 23 -1.671 0.385 10.292 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.499 -0.136 7.613 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.771 2.223 9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.128 1.788 7.407 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.611 0.997 9.500 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.513 -0.810 8.075 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.214 0.683 7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.082 -0.684 7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.140 -1.380 10.019 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.636 -1.277 9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.824 -0.307 10.552 1.00 0.00 H new ATOM 310 N VAL A 24 -0.218 2.854 8.243 1.00 0.00 N ATOM 311 CA VAL A 24 0.666 3.874 7.717 1.00 0.00 C ATOM 312 C VAL A 24 2.020 3.261 7.386 1.00 0.00 C ATOM 313 O VAL A 24 2.560 3.490 6.305 1.00 0.00 O ATOM 314 CB VAL A 24 0.816 4.994 8.742 1.00 0.00 C ATOM 315 CG1 VAL A 24 2.145 5.710 8.525 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.330 5.989 8.579 1.00 0.00 C ATOM 0 H VAL A 24 -0.605 3.067 9.163 1.00 0.00 H new ATOM 0 HA VAL A 24 0.244 4.291 6.802 1.00 0.00 H new ATOM 0 HB VAL A 24 0.792 4.572 9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.251 6.510 9.258 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.964 5.000 8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.171 6.132 7.520 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.224 6.790 9.311 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.306 6.411 7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.280 5.478 8.735 1.00 0.00 H new ATOM 326 N ASP A 25 2.568 2.480 8.320 1.00 0.00 N ATOM 327 CA ASP A 25 3.852 1.840 8.123 1.00 0.00 C ATOM 328 C ASP A 25 3.946 1.297 6.704 1.00 0.00 C ATOM 329 O ASP A 25 4.971 1.462 6.042 1.00 0.00 O ATOM 330 CB ASP A 25 4.023 0.719 9.143 1.00 0.00 C ATOM 331 CG ASP A 25 5.449 0.187 9.135 1.00 0.00 C ATOM 332 OD1 ASP A 25 6.370 1.033 9.154 1.00 0.00 O ATOM 333 OD2 ASP A 25 5.593 -1.054 9.110 1.00 0.00 O ATOM 0 H ASP A 25 2.133 2.281 9.221 1.00 0.00 H new ATOM 0 HA ASP A 25 4.651 2.568 8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.774 1.087 10.138 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.328 -0.090 8.919 1.00 0.00 H new ATOM 338 N LEU A 26 2.876 0.649 6.240 1.00 0.00 N ATOM 339 CA LEU A 26 2.837 0.068 4.899 1.00 0.00 C ATOM 340 C LEU A 26 3.032 1.125 3.809 1.00 0.00 C ATOM 341 O LEU A 26 3.904 0.999 2.952 1.00 0.00 O ATOM 342 CB LEU A 26 1.503 -0.655 4.692 1.00 0.00 C ATOM 343 CG LEU A 26 1.221 -1.795 5.693 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.966 -3.116 4.972 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.371 -1.949 6.681 1.00 0.00 C ATOM 0 H LEU A 26 2.020 0.513 6.778 1.00 0.00 H new ATOM 0 HA LEU A 26 3.662 -0.640 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.696 0.075 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.481 -1.064 3.682 1.00 0.00 H new ATOM 0 HG LEU A 26 0.320 -1.529 6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.771 -3.899 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.103 -3.011 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.842 -3.383 4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.148 -2.759 7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.288 -2.178 6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.501 -1.020 7.236 1.00 0.00 H new ATOM 357 N ALA A 27 2.202 2.170 3.853 1.00 0.00 N ATOM 358 CA ALA A 27 2.270 3.241 2.880 1.00 0.00 C ATOM 359 C ALA A 27 3.619 3.941 2.978 1.00 0.00 C ATOM 360 O ALA A 27 4.320 4.084 1.978 1.00 0.00 O ATOM 361 CB ALA A 27 1.132 4.226 3.129 1.00 0.00 C ATOM 0 H ALA A 27 1.475 2.289 4.559 1.00 0.00 H new ATOM 0 HA ALA A 27 2.166 2.832 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.182 5.032 2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.177 3.710 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.223 4.641 4.133 1.00 0.00 H new ATOM 367 N ARG A 28 3.981 4.376 4.186 1.00 0.00 N ATOM 368 CA ARG A 28 5.240 5.058 4.408 1.00 0.00 C ATOM 369 C ARG A 28 6.395 4.158 3.990 1.00 0.00 C ATOM 370 O ARG A 28 7.422 4.641 3.517 1.00 0.00 O ATOM 371 CB ARG A 28 5.359 5.439 5.881 1.00 0.00 C ATOM 372 CG ARG A 28 4.766 6.829 6.096 1.00 0.00 C ATOM 373 CD ARG A 28 5.677 7.632 7.021 1.00 0.00 C ATOM 374 NE ARG A 28 5.490 7.236 8.417 1.00 0.00 N ATOM 375 CZ ARG A 28 6.499 7.178 9.296 1.00 0.00 C ATOM 376 NH1 ARG A 28 7.743 7.492 8.909 1.00 0.00 N ATOM 377 NH2 ARG A 28 6.265 6.805 10.561 1.00 0.00 N ATOM 0 H ARG A 28 3.411 4.263 5.024 1.00 0.00 H new ATOM 0 HA ARG A 28 5.276 5.966 3.807 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.837 4.709 6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.405 5.427 6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.657 7.342 5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.769 6.748 6.530 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.717 7.481 6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.467 8.696 6.910 1.00 0.00 H new ATOM 0 HE ARG A 28 4.551 6.994 8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.921 7.775 7.945 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.512 7.448 9.578 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.318 6.565 10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.034 6.761 11.230 1.00 0.00 H new ATOM 391 N PHE A 29 6.223 2.846 4.163 1.00 0.00 N ATOM 392 CA PHE A 29 7.250 1.889 3.803 1.00 0.00 C ATOM 393 C PHE A 29 7.439 1.878 2.293 1.00 0.00 C ATOM 394 O PHE A 29 8.568 1.892 1.806 1.00 0.00 O ATOM 395 CB PHE A 29 6.852 0.504 4.308 1.00 0.00 C ATOM 396 CG PHE A 29 7.596 -0.621 3.630 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.996 -0.636 3.632 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.885 -1.648 2.997 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.685 -1.679 3.001 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.575 -2.690 2.366 1.00 0.00 C ATOM 401 CZ PHE A 29 8.975 -2.706 2.368 1.00 0.00 C ATOM 0 H PHE A 29 5.377 2.429 4.552 1.00 0.00 H new ATOM 0 HA PHE A 29 8.195 2.173 4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.031 0.452 5.382 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.782 0.364 4.156 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.544 0.156 4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.805 -1.636 2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.765 -1.691 3.003 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.027 -3.482 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.507 -3.510 1.881 1.00 0.00 H new ATOM 411 N ALA A 30 6.329 1.853 1.552 1.00 0.00 N ATOM 412 CA ALA A 30 6.377 1.840 0.103 1.00 0.00 C ATOM 413 C ALA A 30 7.303 2.942 -0.391 1.00 0.00 C ATOM 414 O ALA A 30 8.373 2.661 -0.929 1.00 0.00 O ATOM 415 CB ALA A 30 4.968 2.027 -0.453 1.00 0.00 C ATOM 0 H ALA A 30 5.386 1.841 1.941 1.00 0.00 H new ATOM 0 HA ALA A 30 6.766 0.883 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.003 2.017 -1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.328 1.217 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.566 2.981 -0.111 1.00 0.00 H new ATOM 421 N VAL A 31 6.890 4.198 -0.210 1.00 0.00 N ATOM 422 CA VAL A 31 7.681 5.333 -0.638 1.00 0.00 C ATOM 423 C VAL A 31 9.146 5.099 -0.294 1.00 0.00 C ATOM 424 O VAL A 31 10.027 5.366 -1.108 1.00 0.00 O ATOM 425 CB VAL A 31 7.162 6.599 0.039 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.928 7.808 -0.488 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.676 6.765 -0.265 1.00 0.00 C ATOM 0 H VAL A 31 6.006 4.446 0.234 1.00 0.00 H new ATOM 0 HA VAL A 31 7.596 5.454 -1.718 1.00 0.00 H new ATOM 0 HB VAL A 31 7.306 6.520 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.558 8.712 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.989 7.689 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.785 7.888 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.305 7.669 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.532 6.844 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.129 5.901 0.112 1.00 0.00 H new ATOM 437 N THR A 32 9.403 4.597 0.916 1.00 0.00 N ATOM 438 CA THR A 32 10.758 4.330 1.356 1.00 0.00 C ATOM 439 C THR A 32 11.405 3.298 0.445 1.00 0.00 C ATOM 440 O THR A 32 12.307 3.621 -0.326 1.00 0.00 O ATOM 441 CB THR A 32 10.733 3.837 2.800 1.00 0.00 C ATOM 442 OG1 THR A 32 10.476 4.923 3.663 1.00 0.00 O ATOM 443 CG2 THR A 32 12.085 3.220 3.149 1.00 0.00 C ATOM 0 H THR A 32 8.684 4.370 1.603 1.00 0.00 H new ATOM 0 HA THR A 32 11.347 5.246 1.307 1.00 0.00 H new ATOM 0 HB THR A 32 9.950 3.088 2.915 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.508 5.033 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.069 2.867 4.180 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.285 2.382 2.482 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.868 3.970 3.034 1.00 0.00 H new ATOM 451 N GLU A 33 10.941 2.049 0.534 1.00 0.00 N ATOM 452 CA GLU A 33 11.475 0.977 -0.282 1.00 0.00 C ATOM 453 C GLU A 33 11.719 1.476 -1.699 1.00 0.00 C ATOM 454 O GLU A 33 12.811 1.292 -2.238 1.00 0.00 O ATOM 455 CB GLU A 33 10.499 -0.195 -0.282 1.00 0.00 C ATOM 456 CG GLU A 33 11.016 -1.288 -1.214 1.00 0.00 C ATOM 457 CD GLU A 33 12.178 -2.038 -0.577 1.00 0.00 C ATOM 458 OE1 GLU A 33 11.927 -2.709 0.448 1.00 0.00 O ATOM 459 OE2 GLU A 33 13.294 -1.928 -1.128 1.00 0.00 O ATOM 0 H GLU A 33 10.194 1.763 1.168 1.00 0.00 H new ATOM 0 HA GLU A 33 12.426 0.641 0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.386 -0.588 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.513 0.139 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.211 -1.985 -1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.336 -0.846 -2.157 1.00 0.00 H new ATOM 466 N HIS A 34 10.702 2.105 -2.295 1.00 0.00 N ATOM 467 CA HIS A 34 10.796 2.650 -3.651 1.00 0.00 C ATOM 468 C HIS A 34 11.980 3.628 -3.757 1.00 0.00 C ATOM 469 O HIS A 34 12.797 3.496 -4.665 1.00 0.00 O ATOM 470 CB HIS A 34 9.480 3.332 -4.044 1.00 0.00 C ATOM 471 CG HIS A 34 9.384 3.627 -5.510 1.00 0.00 C ATOM 472 ND1 HIS A 34 10.268 4.198 -6.361 1.00 0.00 N flip ATOM 473 CD2 HIS A 34 8.275 3.313 -6.268 1.00 0.00 C flip ATOM 474 CE1 HIS A 34 9.680 4.220 -7.603 1.00 0.00 C flip ATOM 475 NE2 HIS A 34 8.480 3.678 -7.521 1.00 0.00 N flip ATOM 0 H HIS A 34 9.794 2.250 -1.853 1.00 0.00 H new ATOM 0 HA HIS A 34 10.973 1.830 -4.347 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.646 2.693 -3.753 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.379 4.262 -3.485 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.378 2.842 -5.895 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.128 4.617 -8.502 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.823 3.561 -8.293 1.00 0.00 H new ATOM 484 N ASN A 35 12.060 4.602 -2.847 1.00 0.00 N ATOM 485 CA ASN A 35 13.128 5.581 -2.867 1.00 0.00 C ATOM 486 C ASN A 35 14.477 4.879 -2.791 1.00 0.00 C ATOM 487 O ASN A 35 15.499 5.444 -3.174 1.00 0.00 O ATOM 488 CB ASN A 35 12.954 6.547 -1.699 1.00 0.00 C ATOM 489 CG ASN A 35 11.649 7.320 -1.824 1.00 0.00 C ATOM 490 OD1 ASN A 35 11.013 7.238 -2.995 1.00 0.00 O flip ATOM 491 ND2 ASN A 35 11.226 7.982 -0.878 1.00 0.00 N flip ATOM 0 H ASN A 35 11.391 4.726 -2.088 1.00 0.00 H new ATOM 0 HA ASN A 35 13.089 6.146 -3.798 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.965 5.994 -0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.792 7.243 -1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.749 8.013 -0.003 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.352 8.500 -0.968 1.00 0.00 H new ATOM 498 N LYS A 36 14.477 3.640 -2.292 1.00 0.00 N ATOM 499 CA LYS A 36 15.697 2.868 -2.168 1.00 0.00 C ATOM 500 C LYS A 36 16.198 2.466 -3.548 1.00 0.00 C ATOM 501 O LYS A 36 17.316 2.807 -3.929 1.00 0.00 O ATOM 502 CB LYS A 36 15.432 1.635 -1.309 1.00 0.00 C ATOM 503 CG LYS A 36 16.539 1.492 -0.269 1.00 0.00 C ATOM 504 CD LYS A 36 16.097 2.144 1.038 1.00 0.00 C ATOM 505 CE LYS A 36 16.409 1.209 2.203 1.00 0.00 C ATOM 506 NZ LYS A 36 15.610 1.559 3.388 1.00 0.00 N ATOM 0 H LYS A 36 13.639 3.157 -1.969 1.00 0.00 H new ATOM 0 HA LYS A 36 16.466 3.472 -1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.464 1.724 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.390 0.744 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.764 0.438 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.455 1.961 -0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.610 3.096 1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.029 2.360 1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.203 0.179 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.470 1.266 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.840 0.909 4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.826 2.535 3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.598 1.481 3.160 1.00 0.00 H new ATOM 520 N LYS A 37 15.367 1.740 -4.297 1.00 0.00 N ATOM 521 CA LYS A 37 15.729 1.296 -5.628 1.00 0.00 C ATOM 522 C LYS A 37 15.483 2.415 -6.631 1.00 0.00 C ATOM 523 O LYS A 37 15.693 2.235 -7.829 1.00 0.00 O ATOM 524 CB LYS A 37 14.915 0.058 -5.990 1.00 0.00 C ATOM 525 CG LYS A 37 15.841 -1.152 -6.080 1.00 0.00 C ATOM 526 CD LYS A 37 15.455 -2.170 -5.011 1.00 0.00 C ATOM 527 CE LYS A 37 14.703 -3.328 -5.660 1.00 0.00 C ATOM 528 NZ LYS A 37 15.429 -4.594 -5.482 1.00 0.00 N ATOM 0 H LYS A 37 14.437 1.450 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 37 16.788 1.039 -5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.144 -0.116 -5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.405 0.210 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.771 -1.604 -7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.877 -0.841 -5.944 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.348 -2.539 -4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.832 -1.698 -4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.708 -3.411 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.568 -3.128 -6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.897 -5.366 -5.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.369 -4.520 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.535 -4.793 -4.467 1.00 0.00 H new ATOM 542 N ALA A 38 15.039 3.572 -6.138 1.00 0.00 N ATOM 543 CA ALA A 38 14.767 4.712 -6.990 1.00 0.00 C ATOM 544 C ALA A 38 15.501 5.937 -6.464 1.00 0.00 C ATOM 545 O ALA A 38 15.256 7.053 -6.915 1.00 0.00 O ATOM 546 CB ALA A 38 13.262 4.964 -7.036 1.00 0.00 C ATOM 0 H ALA A 38 14.862 3.737 -5.147 1.00 0.00 H new ATOM 0 HA ALA A 38 15.120 4.507 -8.001 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.056 5.821 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.758 4.084 -7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.896 5.167 -6.029 1.00 0.00 H new ATOM 552 N ASN A 39 16.407 5.725 -5.505 1.00 0.00 N ATOM 553 CA ASN A 39 17.171 6.810 -4.925 1.00 0.00 C ATOM 554 C ASN A 39 16.256 7.992 -4.635 1.00 0.00 C ATOM 555 O ASN A 39 16.687 9.142 -4.686 1.00 0.00 O ATOM 556 CB ASN A 39 18.287 7.213 -5.883 1.00 0.00 C ATOM 557 CG ASN A 39 19.621 6.629 -5.440 1.00 0.00 C ATOM 558 OD1 ASN A 39 19.968 6.691 -4.262 1.00 0.00 O ATOM 559 ND2 ASN A 39 20.369 6.059 -6.387 1.00 0.00 N ATOM 0 H ASN A 39 16.623 4.806 -5.120 1.00 0.00 H new ATOM 0 HA ASN A 39 17.616 6.483 -3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.050 6.867 -6.889 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.358 8.300 -5.928 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.272 5.650 -6.146 1.00 0.00 H new ATOM 0 HD22 ASN A 39 20.038 6.032 -7.351 1.00 0.00 H new ATOM 566 N SER A 40 14.989 7.705 -4.327 1.00 0.00 N ATOM 567 CA SER A 40 14.022 8.740 -4.030 1.00 0.00 C ATOM 568 C SER A 40 13.582 9.423 -5.317 1.00 0.00 C ATOM 569 O SER A 40 14.320 9.426 -6.303 1.00 0.00 O ATOM 570 CB SER A 40 14.640 9.751 -3.067 1.00 0.00 C ATOM 571 OG SER A 40 15.426 9.071 -2.114 1.00 0.00 O ATOM 0 H SER A 40 14.617 6.756 -4.279 1.00 0.00 H new ATOM 0 HA SER A 40 13.144 8.297 -3.560 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.253 10.466 -3.617 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.856 10.321 -2.568 1.00 0.00 H new ATOM 0 HG SER A 40 15.825 9.719 -1.496 1.00 0.00 H new ATOM 577 N LEU A 41 12.381 10.000 -5.306 1.00 0.00 N ATOM 578 CA LEU A 41 11.829 10.681 -6.478 1.00 0.00 C ATOM 579 C LEU A 41 10.722 11.667 -6.099 1.00 0.00 C ATOM 580 O LEU A 41 10.666 12.784 -6.615 1.00 0.00 O ATOM 581 CB LEU A 41 11.289 9.644 -7.467 1.00 0.00 C ATOM 582 CG LEU A 41 9.799 9.287 -7.283 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.244 8.573 -8.512 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.594 8.431 -6.039 1.00 0.00 C ATOM 0 H LEU A 41 11.767 10.009 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 41 12.633 11.254 -6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.436 10.018 -8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.880 8.733 -7.375 1.00 0.00 H new ATOM 0 HG LEU A 41 9.252 10.221 -7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.193 8.335 -8.351 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.340 9.221 -9.383 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.802 7.652 -8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.536 8.193 -5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.166 7.508 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.934 8.979 -5.160 1.00 0.00 H new ATOM 596 N LEU A 42 9.842 11.238 -5.195 1.00 0.00 N ATOM 597 CA LEU A 42 8.719 12.060 -4.746 1.00 0.00 C ATOM 598 C LEU A 42 8.804 12.379 -3.251 1.00 0.00 C ATOM 599 O LEU A 42 9.771 12.024 -2.580 1.00 0.00 O ATOM 600 CB LEU A 42 7.401 11.343 -5.052 1.00 0.00 C ATOM 601 CG LEU A 42 7.244 9.962 -4.382 1.00 0.00 C ATOM 602 CD1 LEU A 42 6.851 10.100 -2.914 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.220 9.111 -5.123 1.00 0.00 C ATOM 0 H LEU A 42 9.886 10.318 -4.756 1.00 0.00 H new ATOM 0 HA LEU A 42 8.762 13.006 -5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.575 11.980 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.313 11.219 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 42 8.212 9.463 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.748 9.110 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.622 10.658 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.902 10.631 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.128 8.143 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.254 9.616 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.545 8.965 -6.153 1.00 0.00 H new ATOM 615 N GLU A 43 7.776 13.060 -2.738 1.00 0.00 N ATOM 616 CA GLU A 43 7.730 13.431 -1.339 1.00 0.00 C ATOM 617 C GLU A 43 6.362 13.103 -0.759 1.00 0.00 C ATOM 618 O GLU A 43 5.385 13.799 -1.032 1.00 0.00 O ATOM 619 CB GLU A 43 8.035 14.920 -1.198 1.00 0.00 C ATOM 620 CG GLU A 43 8.701 15.178 0.151 1.00 0.00 C ATOM 621 CD GLU A 43 8.913 16.667 0.375 1.00 0.00 C ATOM 622 OE1 GLU A 43 7.894 17.392 0.381 1.00 0.00 O ATOM 623 OE2 GLU A 43 10.090 17.055 0.537 1.00 0.00 O ATOM 0 H GLU A 43 6.967 13.362 -3.280 1.00 0.00 H new ATOM 0 HA GLU A 43 8.480 12.865 -0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.689 15.246 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.115 15.500 -1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.082 14.770 0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.659 14.660 0.193 1.00 0.00 H new ATOM 630 N PHE A 44 6.293 12.040 0.044 1.00 0.00 N ATOM 631 CA PHE A 44 5.047 11.625 0.658 1.00 0.00 C ATOM 632 C PHE A 44 4.476 12.767 1.487 1.00 0.00 C ATOM 633 O PHE A 44 5.199 13.410 2.245 1.00 0.00 O ATOM 634 CB PHE A 44 5.293 10.396 1.526 1.00 0.00 C ATOM 635 CG PHE A 44 4.172 10.109 2.496 1.00 0.00 C ATOM 636 CD1 PHE A 44 4.168 10.712 3.760 1.00 0.00 C ATOM 637 CD2 PHE A 44 3.136 9.241 2.131 1.00 0.00 C ATOM 638 CE1 PHE A 44 3.127 10.447 4.658 1.00 0.00 C ATOM 639 CE2 PHE A 44 2.095 8.976 3.029 1.00 0.00 C ATOM 640 CZ PHE A 44 2.091 9.579 4.292 1.00 0.00 C ATOM 0 H PHE A 44 7.093 11.454 0.280 1.00 0.00 H new ATOM 0 HA PHE A 44 4.324 11.367 -0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.436 9.529 0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.219 10.535 2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.968 11.381 4.042 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.140 8.776 1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.123 10.912 5.633 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.296 8.307 2.747 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.288 9.375 4.985 1.00 0.00 H new ATOM 650 N GLU A 45 3.173 13.018 1.342 1.00 0.00 N ATOM 651 CA GLU A 45 2.514 14.078 2.078 1.00 0.00 C ATOM 652 C GLU A 45 1.774 13.497 3.275 1.00 0.00 C ATOM 653 O GLU A 45 1.922 13.979 4.396 1.00 0.00 O ATOM 654 CB GLU A 45 1.552 14.817 1.153 1.00 0.00 C ATOM 655 CG GLU A 45 0.609 15.681 1.984 1.00 0.00 C ATOM 656 CD GLU A 45 0.647 17.130 1.518 1.00 0.00 C ATOM 657 OE1 GLU A 45 -0.028 17.418 0.507 1.00 0.00 O ATOM 658 OE2 GLU A 45 1.351 17.921 2.182 1.00 0.00 O ATOM 0 H GLU A 45 2.559 12.495 0.717 1.00 0.00 H new ATOM 0 HA GLU A 45 3.258 14.784 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.110 15.439 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.980 14.103 0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.408 15.296 1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.890 15.626 3.036 1.00 0.00 H new ATOM 665 N LYS A 46 0.974 12.455 3.033 1.00 0.00 N ATOM 666 CA LYS A 46 0.217 11.814 4.088 1.00 0.00 C ATOM 667 C LYS A 46 -0.583 10.652 3.518 1.00 0.00 C ATOM 668 O LYS A 46 -0.389 10.268 2.364 1.00 0.00 O ATOM 669 CB LYS A 46 -0.708 12.837 4.743 1.00 0.00 C ATOM 670 CG LYS A 46 -1.683 13.381 3.702 1.00 0.00 C ATOM 671 CD LYS A 46 -2.631 14.376 4.364 1.00 0.00 C ATOM 672 CE LYS A 46 -4.031 14.212 3.778 1.00 0.00 C ATOM 673 NZ LYS A 46 -5.062 14.541 4.774 1.00 0.00 N ATOM 0 H LYS A 46 0.840 12.043 2.109 1.00 0.00 H new ATOM 0 HA LYS A 46 0.899 11.423 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.256 12.374 5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.123 13.652 5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.136 13.866 2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.250 12.563 3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.654 14.211 5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.276 15.394 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.142 14.858 2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.167 13.187 3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.004 14.421 4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.968 13.908 5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.944 15.527 5.083 1.00 0.00 H new ATOM 687 N LEU A 47 -1.483 10.092 4.329 1.00 0.00 N ATOM 688 CA LEU A 47 -2.311 8.960 3.915 1.00 0.00 C ATOM 689 C LEU A 47 -3.804 9.298 3.952 1.00 0.00 C ATOM 690 O LEU A 47 -4.290 9.918 4.895 1.00 0.00 O ATOM 691 CB LEU A 47 -2.025 7.757 4.818 1.00 0.00 C ATOM 692 CG LEU A 47 -3.149 6.699 4.862 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.086 5.773 3.651 1.00 0.00 C ATOM 694 CD2 LEU A 47 -3.081 5.886 6.150 1.00 0.00 C ATOM 0 H LEU A 47 -1.657 10.408 5.283 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.056 8.719 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.106 7.277 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.843 8.116 5.831 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.100 7.231 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.890 5.040 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.197 6.359 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.126 5.258 3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.883 5.148 6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.119 5.377 6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.193 6.551 7.006 1.00 0.00 H new ATOM 706 N VAL A 48 -4.523 8.886 2.905 1.00 0.00 N ATOM 707 CA VAL A 48 -5.946 9.142 2.807 1.00 0.00 C ATOM 708 C VAL A 48 -6.720 8.005 3.461 1.00 0.00 C ATOM 709 O VAL A 48 -7.470 8.227 4.407 1.00 0.00 O ATOM 710 CB VAL A 48 -6.335 9.288 1.339 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.660 10.037 1.237 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.250 10.067 0.601 1.00 0.00 C ATOM 0 H VAL A 48 -4.133 8.372 2.115 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.191 10.068 3.327 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.441 8.300 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.939 10.142 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.434 9.480 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.555 11.025 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.527 10.172 -0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.143 11.055 1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.304 9.531 0.675 1.00 0.00 H new ATOM 722 N SER A 49 -6.534 6.785 2.951 1.00 0.00 N ATOM 723 CA SER A 49 -7.213 5.623 3.488 1.00 0.00 C ATOM 724 C SER A 49 -6.472 4.357 3.081 1.00 0.00 C ATOM 725 O SER A 49 -5.416 4.427 2.456 1.00 0.00 O ATOM 726 CB SER A 49 -8.651 5.595 2.979 1.00 0.00 C ATOM 727 OG SER A 49 -9.481 6.298 3.876 1.00 0.00 O ATOM 0 H SER A 49 -5.915 6.585 2.165 1.00 0.00 H new ATOM 0 HA SER A 49 -7.227 5.677 4.577 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.706 6.045 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.993 4.565 2.881 1.00 0.00 H new ATOM 0 HG SER A 49 -9.001 7.079 4.222 1.00 0.00 H new ATOM 733 N VAL A 50 -7.029 3.197 3.436 1.00 0.00 N ATOM 734 CA VAL A 50 -6.423 1.924 3.108 1.00 0.00 C ATOM 735 C VAL A 50 -7.468 0.820 3.183 1.00 0.00 C ATOM 736 O VAL A 50 -8.314 0.824 4.075 1.00 0.00 O ATOM 737 CB VAL A 50 -5.272 1.646 4.071 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.763 1.797 5.507 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.760 0.225 3.854 1.00 0.00 C ATOM 0 H VAL A 50 -7.905 3.123 3.954 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.030 1.955 2.092 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.465 2.355 3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.941 1.599 6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.129 2.812 5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.570 1.088 5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.938 0.026 4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.567 -0.484 4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.409 0.117 2.828 1.00 0.00 H new ATOM 749 N LYS A 51 -7.408 -0.127 2.244 1.00 0.00 N ATOM 750 CA LYS A 51 -8.347 -1.229 2.211 1.00 0.00 C ATOM 751 C LYS A 51 -7.655 -2.513 2.642 1.00 0.00 C ATOM 752 O LYS A 51 -6.484 -2.496 3.016 1.00 0.00 O ATOM 753 CB LYS A 51 -8.916 -1.368 0.801 1.00 0.00 C ATOM 754 CG LYS A 51 -10.083 -0.401 0.627 1.00 0.00 C ATOM 755 CD LYS A 51 -10.262 -0.081 -0.855 1.00 0.00 C ATOM 756 CE LYS A 51 -9.801 1.349 -1.125 1.00 0.00 C ATOM 757 NZ LYS A 51 -8.936 1.408 -2.314 1.00 0.00 N ATOM 0 H LYS A 51 -6.713 -0.144 1.498 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.166 -1.034 2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.142 -1.158 0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.249 -2.392 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.996 -0.841 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.897 0.515 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.687 -0.781 -1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.308 -0.197 -1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.668 1.993 -1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.261 1.731 -0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.636 2.390 -2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.098 0.810 -2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.462 1.065 -3.143 1.00 0.00 H new ATOM 771 N GLN A 52 -8.382 -3.632 2.588 1.00 0.00 N ATOM 772 CA GLN A 52 -7.836 -4.918 2.973 1.00 0.00 C ATOM 773 C GLN A 52 -8.523 -6.026 2.187 1.00 0.00 C ATOM 774 O GLN A 52 -9.748 -6.062 2.102 1.00 0.00 O ATOM 775 CB GLN A 52 -8.027 -5.120 4.473 1.00 0.00 C ATOM 776 CG GLN A 52 -9.492 -4.899 4.836 1.00 0.00 C ATOM 777 CD GLN A 52 -9.745 -5.234 6.299 1.00 0.00 C ATOM 778 OE1 GLN A 52 -9.013 -6.220 6.822 1.00 0.00 O flip ATOM 779 NE2 GLN A 52 -10.588 -4.613 6.942 1.00 0.00 N flip ATOM 0 H GLN A 52 -9.353 -3.664 2.279 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.770 -4.948 2.748 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.719 -6.126 4.757 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.396 -4.425 5.027 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.766 -3.862 4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.126 -5.519 4.202 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.122 -3.867 6.496 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.754 -4.843 7.922 1.00 0.00 H new ATOM 788 N GLN A 53 -7.729 -6.933 1.614 1.00 0.00 N ATOM 789 CA GLN A 53 -8.262 -8.036 0.841 1.00 0.00 C ATOM 790 C GLN A 53 -7.699 -9.352 1.358 1.00 0.00 C ATOM 791 O GLN A 53 -6.542 -9.416 1.768 1.00 0.00 O ATOM 792 CB GLN A 53 -7.910 -7.839 -0.632 1.00 0.00 C ATOM 793 CG GLN A 53 -8.359 -9.060 -1.430 1.00 0.00 C ATOM 794 CD GLN A 53 -9.727 -8.826 -2.057 1.00 0.00 C ATOM 795 OE1 GLN A 53 -10.681 -8.487 -1.360 1.00 0.00 O ATOM 796 NE2 GLN A 53 -9.819 -9.008 -3.376 1.00 0.00 N ATOM 0 H GLN A 53 -6.711 -6.917 1.676 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.347 -8.065 0.943 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.395 -6.942 -1.016 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.836 -7.693 -0.744 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.629 -9.278 -2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.398 -9.932 -0.777 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.997 -9.290 -3.910 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.711 -8.865 -3.850 1.00 0.00 H new ATOM 805 N VAL A 54 -8.520 -10.403 1.338 1.00 0.00 N ATOM 806 CA VAL A 54 -8.101 -11.711 1.804 1.00 0.00 C ATOM 807 C VAL A 54 -7.922 -12.646 0.618 1.00 0.00 C ATOM 808 O VAL A 54 -8.839 -12.818 -0.184 1.00 0.00 O ATOM 809 CB VAL A 54 -9.142 -12.261 2.776 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.535 -12.095 2.176 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.869 -13.740 3.028 1.00 0.00 C ATOM 0 H VAL A 54 -9.482 -10.366 1.001 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.146 -11.629 2.324 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.085 -11.715 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.279 -12.487 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.730 -11.038 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.593 -12.641 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.612 -14.134 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.926 -14.286 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.874 -13.858 3.456 1.00 0.00 H new ATOM 821 N VAL A 55 -6.739 -13.254 0.508 1.00 0.00 N ATOM 822 CA VAL A 55 -6.446 -14.169 -0.577 1.00 0.00 C ATOM 823 C VAL A 55 -5.337 -15.124 -0.160 1.00 0.00 C ATOM 824 O VAL A 55 -5.496 -15.887 0.790 1.00 0.00 O ATOM 825 CB VAL A 55 -6.039 -13.375 -1.815 1.00 0.00 C ATOM 826 CG1 VAL A 55 -7.197 -12.479 -2.248 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.824 -12.512 -1.489 1.00 0.00 C ATOM 0 H VAL A 55 -5.970 -13.123 1.165 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.334 -14.756 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.790 -14.064 -2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.907 -11.911 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.066 -13.095 -2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.446 -11.790 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.533 -11.945 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.073 -11.823 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.997 -13.151 -1.179 1.00 0.00 H new ATOM 837 N ALA A 56 -4.209 -15.081 -0.875 1.00 0.00 N ATOM 838 CA ALA A 56 -3.082 -15.940 -0.577 1.00 0.00 C ATOM 839 C ALA A 56 -2.301 -15.376 0.602 1.00 0.00 C ATOM 840 O ALA A 56 -1.155 -15.756 0.830 1.00 0.00 O ATOM 841 CB ALA A 56 -2.192 -16.056 -1.811 1.00 0.00 C ATOM 0 H ALA A 56 -4.061 -14.454 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.438 -16.934 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.343 -16.702 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.766 -16.481 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.831 -15.067 -2.093 1.00 0.00 H new ATOM 847 N GLY A 57 -2.924 -14.465 1.351 1.00 0.00 N ATOM 848 CA GLY A 57 -2.283 -13.856 2.499 1.00 0.00 C ATOM 849 C GLY A 57 -3.115 -12.688 3.010 1.00 0.00 C ATOM 850 O GLY A 57 -4.328 -12.804 3.167 1.00 0.00 O ATOM 0 H GLY A 57 -3.874 -14.137 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.158 -14.596 3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.286 -13.510 2.226 1.00 0.00 H new ATOM 854 N THR A 58 -2.457 -11.555 3.271 1.00 0.00 N ATOM 855 CA THR A 58 -3.137 -10.374 3.761 1.00 0.00 C ATOM 856 C THR A 58 -2.766 -9.170 2.910 1.00 0.00 C ATOM 857 O THR A 58 -1.671 -8.623 3.047 1.00 0.00 O ATOM 858 CB THR A 58 -2.760 -10.140 5.221 1.00 0.00 C ATOM 859 OG1 THR A 58 -3.169 -11.246 5.995 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.453 -8.880 5.730 1.00 0.00 C ATOM 0 H THR A 58 -1.451 -11.440 3.148 1.00 0.00 H new ATOM 0 HA THR A 58 -4.215 -10.520 3.695 1.00 0.00 H new ATOM 0 HB THR A 58 -1.680 -10.019 5.302 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.926 -11.097 6.933 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.184 -8.713 6.773 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.138 -8.025 5.132 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.533 -9.001 5.649 1.00 0.00 H new ATOM 868 N LEU A 59 -3.679 -8.758 2.030 1.00 0.00 N ATOM 869 CA LEU A 59 -3.450 -7.621 1.140 1.00 0.00 C ATOM 870 C LEU A 59 -4.118 -6.345 1.657 1.00 0.00 C ATOM 871 O LEU A 59 -5.171 -6.391 2.290 1.00 0.00 O ATOM 872 CB LEU A 59 -3.972 -7.951 -0.262 1.00 0.00 C ATOM 873 CG LEU A 59 -3.216 -7.259 -1.415 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.346 -5.740 -1.330 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.745 -7.661 -1.421 1.00 0.00 C ATOM 0 H LEU A 59 -4.591 -9.200 1.915 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.376 -7.438 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.920 -9.030 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.024 -7.672 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.671 -7.589 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.803 -5.282 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.398 -5.461 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.930 -5.392 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.234 -7.160 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.285 -7.370 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.663 -8.741 -1.547 1.00 0.00 H new ATOM 887 N TYR A 60 -3.487 -5.201 1.382 1.00 0.00 N ATOM 888 CA TYR A 60 -4.006 -3.920 1.818 1.00 0.00 C ATOM 889 C TYR A 60 -3.761 -2.871 0.742 1.00 0.00 C ATOM 890 O TYR A 60 -2.635 -2.700 0.282 1.00 0.00 O ATOM 891 CB TYR A 60 -3.332 -3.519 3.128 1.00 0.00 C ATOM 892 CG TYR A 60 -3.634 -4.455 4.273 1.00 0.00 C ATOM 893 CD1 TYR A 60 -4.962 -4.708 4.637 1.00 0.00 C ATOM 894 CD2 TYR A 60 -2.587 -5.070 4.970 1.00 0.00 C ATOM 895 CE1 TYR A 60 -5.242 -5.577 5.698 1.00 0.00 C ATOM 896 CE2 TYR A 60 -2.868 -5.939 6.031 1.00 0.00 C ATOM 897 CZ TYR A 60 -4.195 -6.192 6.396 1.00 0.00 C ATOM 898 OH TYR A 60 -4.469 -7.039 7.430 1.00 0.00 O ATOM 0 H TYR A 60 -2.614 -5.145 0.857 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.080 -3.996 1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.253 -3.481 2.975 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.651 -2.513 3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.770 -4.233 4.100 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.563 -4.874 4.689 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.266 -5.773 5.979 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.060 -6.414 6.568 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.331 -7.478 7.274 1.00 0.00 H new ATOM 908 N TYR A 61 -4.822 -2.167 0.341 1.00 0.00 N ATOM 909 CA TYR A 61 -4.718 -1.142 -0.677 1.00 0.00 C ATOM 910 C TYR A 61 -4.660 0.231 -0.024 1.00 0.00 C ATOM 911 O TYR A 61 -5.692 0.801 0.322 1.00 0.00 O ATOM 912 CB TYR A 61 -5.912 -1.242 -1.621 1.00 0.00 C ATOM 913 CG TYR A 61 -6.282 -2.662 -1.978 1.00 0.00 C ATOM 914 CD1 TYR A 61 -6.625 -3.570 -0.969 1.00 0.00 C ATOM 915 CD2 TYR A 61 -6.284 -3.070 -3.317 1.00 0.00 C ATOM 916 CE1 TYR A 61 -6.969 -4.886 -1.300 1.00 0.00 C ATOM 917 CE2 TYR A 61 -6.628 -4.386 -3.647 1.00 0.00 C ATOM 918 CZ TYR A 61 -6.970 -5.295 -2.638 1.00 0.00 C ATOM 919 OH TYR A 61 -7.305 -6.577 -2.960 1.00 0.00 O ATOM 0 H TYR A 61 -5.763 -2.296 0.713 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.803 -1.287 -1.252 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.772 -0.756 -1.159 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.689 -0.692 -2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.624 -3.255 0.064 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.020 -2.369 -4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.234 -5.586 -0.522 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.630 -4.701 -4.680 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.256 -6.694 -3.932 1.00 0.00 H new ATOM 929 N PHE A 62 -3.446 0.761 0.145 1.00 0.00 N ATOM 930 CA PHE A 62 -3.261 2.062 0.755 1.00 0.00 C ATOM 931 C PHE A 62 -3.408 3.153 -0.297 1.00 0.00 C ATOM 932 O PHE A 62 -2.854 3.045 -1.389 1.00 0.00 O ATOM 933 CB PHE A 62 -1.883 2.125 1.410 1.00 0.00 C ATOM 934 CG PHE A 62 -1.732 1.189 2.584 1.00 0.00 C ATOM 935 CD1 PHE A 62 -2.158 1.587 3.857 1.00 0.00 C ATOM 936 CD2 PHE A 62 -1.161 -0.077 2.402 1.00 0.00 C ATOM 937 CE1 PHE A 62 -2.015 0.719 4.946 1.00 0.00 C ATOM 938 CE2 PHE A 62 -1.019 -0.945 3.491 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.446 -0.547 4.763 1.00 0.00 C ATOM 0 H PHE A 62 -2.580 0.301 -0.136 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.021 2.219 1.520 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.124 1.886 0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.694 3.146 1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.597 2.564 3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.830 -0.384 1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.344 1.026 5.928 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.580 -1.922 3.350 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.337 -1.216 5.603 1.00 0.00 H new ATOM 949 N THR A 63 -4.159 4.205 0.033 1.00 0.00 N ATOM 950 CA THR A 63 -4.373 5.306 -0.885 1.00 0.00 C ATOM 951 C THR A 63 -3.811 6.591 -0.293 1.00 0.00 C ATOM 952 O THR A 63 -4.550 7.397 0.266 1.00 0.00 O ATOM 953 CB THR A 63 -5.866 5.449 -1.166 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.369 4.230 -1.662 1.00 0.00 O ATOM 955 CG2 THR A 63 -6.086 6.549 -2.202 1.00 0.00 C ATOM 0 H THR A 63 -4.627 4.310 0.933 1.00 0.00 H new ATOM 0 HA THR A 63 -3.856 5.106 -1.824 1.00 0.00 H new ATOM 0 HB THR A 63 -6.386 5.709 -0.244 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.328 4.321 -1.841 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.152 6.651 -2.403 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.697 7.492 -1.819 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.566 6.289 -3.124 1.00 0.00 H new ATOM 963 N ILE A 64 -2.495 6.779 -0.421 1.00 0.00 N ATOM 964 CA ILE A 64 -1.836 7.962 0.097 1.00 0.00 C ATOM 965 C ILE A 64 -1.601 8.955 -1.032 1.00 0.00 C ATOM 966 O ILE A 64 -1.909 8.670 -2.186 1.00 0.00 O ATOM 967 CB ILE A 64 -0.517 7.563 0.752 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.397 6.925 -0.290 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.787 6.563 1.872 1.00 0.00 C ATOM 970 CD1 ILE A 64 1.736 7.656 -0.309 1.00 0.00 C ATOM 0 H ILE A 64 -1.870 6.119 -0.883 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.468 8.438 0.847 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.034 8.449 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.549 5.871 -0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.069 6.971 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.155 6.278 2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.439 7.019 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.270 5.677 1.460 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.389 7.200 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.575 8.704 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.202 7.587 0.674 1.00 0.00 H new ATOM 982 N GLU A 65 -1.053 10.126 -0.696 1.00 0.00 N ATOM 983 CA GLU A 65 -0.780 11.151 -1.682 1.00 0.00 C ATOM 984 C GLU A 65 0.609 11.731 -1.458 1.00 0.00 C ATOM 985 O GLU A 65 0.964 12.085 -0.335 1.00 0.00 O ATOM 986 CB GLU A 65 -1.844 12.241 -1.588 1.00 0.00 C ATOM 987 CG GLU A 65 -1.269 13.559 -2.100 1.00 0.00 C ATOM 988 CD GLU A 65 -2.323 14.356 -2.852 1.00 0.00 C ATOM 989 OE1 GLU A 65 -3.000 13.741 -3.704 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.435 15.567 -2.560 1.00 0.00 O ATOM 0 H GLU A 65 -0.792 10.379 0.257 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.810 10.716 -2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.719 11.961 -2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.175 12.353 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.893 14.146 -1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.421 13.360 -2.756 1.00 0.00 H new ATOM 997 N VAL A 66 1.396 11.830 -2.532 1.00 0.00 N ATOM 998 CA VAL A 66 2.739 12.367 -2.450 1.00 0.00 C ATOM 999 C VAL A 66 2.977 13.336 -3.599 1.00 0.00 C ATOM 1000 O VAL A 66 2.410 13.176 -4.677 1.00 0.00 O ATOM 1001 CB VAL A 66 3.746 11.221 -2.492 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.193 10.028 -1.719 1.00 0.00 C ATOM 1003 CG2 VAL A 66 3.997 10.817 -3.942 1.00 0.00 C ATOM 0 H VAL A 66 1.116 11.541 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 66 2.863 12.909 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 66 4.683 11.544 -2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.912 9.210 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.015 10.317 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.256 9.704 -2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.716 9.999 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.061 10.494 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.394 11.669 -4.494 1.00 0.00 H new ATOM 1013 N LYS A 67 3.819 14.345 -3.365 1.00 0.00 N ATOM 1014 CA LYS A 67 4.127 15.334 -4.379 1.00 0.00 C ATOM 1015 C LYS A 67 5.392 14.934 -5.124 1.00 0.00 C ATOM 1016 O LYS A 67 6.497 15.098 -4.610 1.00 0.00 O ATOM 1017 CB LYS A 67 4.294 16.701 -3.723 1.00 0.00 C ATOM 1018 CG LYS A 67 5.353 16.612 -2.628 1.00 0.00 C ATOM 1019 CD LYS A 67 4.720 16.942 -1.279 1.00 0.00 C ATOM 1020 CE LYS A 67 4.745 18.451 -1.060 1.00 0.00 C ATOM 1021 NZ LYS A 67 3.826 18.844 0.020 1.00 0.00 N ATOM 0 H LYS A 67 4.297 14.492 -2.476 1.00 0.00 H new ATOM 0 HA LYS A 67 3.309 15.389 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.587 17.441 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.345 17.032 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.784 15.611 -2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.168 17.305 -2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.694 16.576 -1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.262 16.439 -0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.758 18.769 -0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.466 18.960 -1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.862 19.875 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.857 18.560 -0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.109 18.375 0.904 1.00 0.00 H new ATOM 1035 N GLU A 68 5.230 14.409 -6.340 1.00 0.00 N ATOM 1036 CA GLU A 68 6.359 13.992 -7.148 1.00 0.00 C ATOM 1037 C GLU A 68 6.971 15.196 -7.848 1.00 0.00 C ATOM 1038 O GLU A 68 6.322 15.839 -8.670 1.00 0.00 O ATOM 1039 CB GLU A 68 5.897 12.952 -8.165 1.00 0.00 C ATOM 1040 CG GLU A 68 6.842 12.959 -9.363 1.00 0.00 C ATOM 1041 CD GLU A 68 6.624 11.731 -10.236 1.00 0.00 C ATOM 1042 OE1 GLU A 68 7.236 10.690 -9.914 1.00 0.00 O ATOM 1043 OE2 GLU A 68 5.846 11.856 -11.207 1.00 0.00 O ATOM 0 H GLU A 68 4.322 14.265 -6.781 1.00 0.00 H new ATOM 0 HA GLU A 68 7.121 13.546 -6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.880 11.963 -7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.880 13.171 -8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.681 13.862 -9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.875 12.984 -9.016 1.00 0.00 H new ATOM 1050 N GLY A 69 8.229 15.503 -7.519 1.00 0.00 N ATOM 1051 CA GLY A 69 8.919 16.626 -8.117 1.00 0.00 C ATOM 1052 C GLY A 69 8.108 17.902 -7.935 1.00 0.00 C ATOM 1053 O GLY A 69 8.056 18.458 -6.839 1.00 0.00 O ATOM 0 H GLY A 69 8.783 14.982 -6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.902 16.743 -7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.081 16.438 -9.178 1.00 0.00 H new ATOM 1057 N ASP A 70 7.475 18.366 -9.013 1.00 0.00 N ATOM 1058 CA ASP A 70 6.672 19.571 -8.970 1.00 0.00 C ATOM 1059 C ASP A 70 5.210 19.225 -9.212 1.00 0.00 C ATOM 1060 O ASP A 70 4.470 20.018 -9.790 1.00 0.00 O ATOM 1061 CB ASP A 70 7.176 20.556 -10.022 1.00 0.00 C ATOM 1062 CG ASP A 70 8.516 21.151 -9.611 1.00 0.00 C ATOM 1063 OD1 ASP A 70 8.485 22.148 -8.859 1.00 0.00 O ATOM 1064 OD2 ASP A 70 9.543 20.597 -10.056 1.00 0.00 O ATOM 0 H ASP A 70 7.508 17.917 -9.928 1.00 0.00 H new ATOM 0 HA ASP A 70 6.757 20.035 -7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.278 20.049 -10.982 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.446 21.354 -10.159 1.00 0.00 H new ATOM 1069 N ALA A 71 4.795 18.036 -8.769 1.00 0.00 N ATOM 1070 CA ALA A 71 3.426 17.591 -8.941 1.00 0.00 C ATOM 1071 C ALA A 71 2.934 16.931 -7.660 1.00 0.00 C ATOM 1072 O ALA A 71 3.727 16.621 -6.774 1.00 0.00 O ATOM 1073 CB ALA A 71 3.352 16.620 -10.115 1.00 0.00 C ATOM 0 H ALA A 71 5.397 17.368 -8.288 1.00 0.00 H new ATOM 0 HA ALA A 71 2.784 18.446 -9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.323 16.285 -10.245 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.688 17.121 -11.023 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.992 15.760 -9.917 1.00 0.00 H new ATOM 1079 N LYS A 72 1.620 16.715 -7.566 1.00 0.00 N ATOM 1080 CA LYS A 72 1.032 16.094 -6.397 1.00 0.00 C ATOM 1081 C LYS A 72 -0.135 15.208 -6.812 1.00 0.00 C ATOM 1082 O LYS A 72 -0.998 15.630 -7.579 1.00 0.00 O ATOM 1083 CB LYS A 72 0.568 17.176 -5.425 1.00 0.00 C ATOM 1084 CG LYS A 72 1.534 18.355 -5.480 1.00 0.00 C ATOM 1085 CD LYS A 72 0.987 19.501 -4.634 1.00 0.00 C ATOM 1086 CE LYS A 72 0.584 20.658 -5.545 1.00 0.00 C ATOM 1087 NZ LYS A 72 -0.538 21.415 -4.968 1.00 0.00 N ATOM 0 H LYS A 72 0.949 16.965 -8.292 1.00 0.00 H new ATOM 0 HA LYS A 72 1.776 15.471 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.439 17.504 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.523 16.775 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.514 18.053 -5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.667 18.682 -6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.127 19.162 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.741 19.832 -3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.436 21.321 -5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.302 20.273 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.794 22.196 -5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.356 20.785 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.258 21.800 -4.043 1.00 0.00 H new ATOM 1101 N LYS A 73 -0.157 13.974 -6.304 1.00 0.00 N ATOM 1102 CA LYS A 73 -1.216 13.036 -6.624 1.00 0.00 C ATOM 1103 C LYS A 73 -1.271 11.939 -5.570 1.00 0.00 C ATOM 1104 O LYS A 73 -0.590 12.022 -4.548 1.00 0.00 O ATOM 1105 CB LYS A 73 -0.966 12.443 -8.008 1.00 0.00 C ATOM 1106 CG LYS A 73 0.478 11.963 -8.103 1.00 0.00 C ATOM 1107 CD LYS A 73 1.083 12.424 -9.425 1.00 0.00 C ATOM 1108 CE LYS A 73 1.577 13.861 -9.285 1.00 0.00 C ATOM 1109 NZ LYS A 73 2.402 14.020 -8.078 1.00 0.00 N ATOM 0 H LYS A 73 0.552 13.608 -5.669 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.175 13.553 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.649 11.613 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.163 13.190 -8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.059 12.357 -7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.516 10.876 -8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.908 11.770 -9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.340 12.360 -10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.157 14.137 -10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.725 14.539 -9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.151 14.718 -8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.806 14.348 -7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.832 13.107 -7.829 1.00 0.00 H new ATOM 1123 N LEU A 74 -2.085 10.913 -5.820 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.244 9.797 -4.889 1.00 0.00 C ATOM 1125 C LEU A 74 -1.727 8.481 -5.477 1.00 0.00 C ATOM 1126 O LEU A 74 -1.991 8.155 -6.632 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.720 9.653 -4.507 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.579 8.871 -5.523 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -5.930 8.488 -4.927 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.778 9.676 -6.801 1.00 0.00 C ATOM 0 H LEU A 74 -2.648 10.832 -6.667 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.649 10.016 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.783 9.155 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.147 10.648 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.042 7.955 -5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.512 7.938 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.776 7.861 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.469 9.390 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.386 9.103 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.281 10.614 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.809 9.888 -7.252 1.00 0.00 H new ATOM 1142 N TYR A 75 -0.979 7.732 -4.664 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.421 6.466 -5.094 1.00 0.00 C ATOM 1144 C TYR A 75 -1.048 5.327 -4.302 1.00 0.00 C ATOM 1145 O TYR A 75 -1.150 5.401 -3.079 1.00 0.00 O ATOM 1146 CB TYR A 75 1.093 6.488 -4.901 1.00 0.00 C ATOM 1147 CG TYR A 75 1.790 7.550 -5.719 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.380 8.885 -5.627 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.845 7.198 -6.570 1.00 0.00 C ATOM 1150 CE1 TYR A 75 2.025 9.869 -6.386 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.490 8.182 -7.328 1.00 0.00 C ATOM 1152 CZ TYR A 75 3.080 9.517 -7.236 1.00 0.00 C ATOM 1153 OH TYR A 75 3.709 10.475 -7.976 1.00 0.00 O ATOM 0 H TYR A 75 -0.750 7.989 -3.704 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.639 6.309 -6.150 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.314 6.650 -3.846 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.499 5.512 -5.166 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.566 9.156 -4.971 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.161 6.168 -6.641 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.709 10.899 -6.316 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.304 7.911 -7.984 1.00 0.00 H new ATOM 0 HH TYR A 75 4.419 10.062 -8.511 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.471 4.273 -5.003 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.084 3.128 -4.361 1.00 0.00 C ATOM 1165 C GLU A 76 -1.008 2.174 -3.861 1.00 0.00 C ATOM 1166 O GLU A 76 -0.555 1.302 -4.601 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.011 2.427 -5.351 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.574 3.451 -6.332 1.00 0.00 C ATOM 1169 CD GLU A 76 -4.623 2.818 -7.236 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -4.262 1.840 -7.926 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -5.766 3.323 -7.219 1.00 0.00 O ATOM 0 H GLU A 76 -1.396 4.197 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.671 3.460 -3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.466 1.652 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.823 1.933 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.016 4.282 -5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.767 3.862 -6.938 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.601 2.340 -2.602 1.00 0.00 N ATOM 1179 CA ALA A 77 0.417 1.497 -2.009 1.00 0.00 C ATOM 1180 C ALA A 77 -0.187 0.156 -1.620 1.00 0.00 C ATOM 1181 O ALA A 77 -1.018 0.084 -0.717 1.00 0.00 O ATOM 1182 CB ALA A 77 1.011 2.197 -0.790 1.00 0.00 C ATOM 0 H ALA A 77 -0.968 3.057 -1.977 1.00 0.00 H new ATOM 0 HA ALA A 77 1.213 1.319 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.777 1.563 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.456 3.144 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.224 2.385 -0.059 1.00 0.00 H new ATOM 1188 N LYS A 78 0.233 -0.911 -2.305 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.269 -2.242 -2.027 1.00 0.00 C ATOM 1190 C LYS A 78 0.818 -3.076 -1.363 1.00 0.00 C ATOM 1191 O LYS A 78 1.907 -3.233 -1.911 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.730 -2.893 -3.329 1.00 0.00 C ATOM 1193 CG LYS A 78 -1.591 -1.906 -4.113 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.701 -1.372 -3.212 1.00 0.00 C ATOM 1195 CE LYS A 78 -3.472 -0.279 -3.948 1.00 0.00 C ATOM 1196 NZ LYS A 78 -3.709 -0.654 -5.351 1.00 0.00 N ATOM 0 H LYS A 78 0.922 -0.870 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.118 -2.180 -1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.133 -3.192 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.299 -3.798 -3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.978 -1.083 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.021 -2.396 -4.986 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.375 -2.180 -2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.276 -0.975 -2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.425 -0.102 -3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.913 0.656 -3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.473 -0.067 -5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.840 -0.504 -5.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.982 -1.656 -5.401 1.00 0.00 H new ATOM 1210 N VAL A 79 0.517 -3.614 -0.178 1.00 0.00 N ATOM 1211 CA VAL A 79 1.466 -4.428 0.555 1.00 0.00 C ATOM 1212 C VAL A 79 0.875 -5.809 0.803 1.00 0.00 C ATOM 1213 O VAL A 79 -0.344 -5.974 0.804 1.00 0.00 O ATOM 1214 CB VAL A 79 1.811 -3.742 1.873 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.743 -4.638 2.684 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.504 -2.414 1.588 1.00 0.00 C ATOM 0 H VAL A 79 -0.382 -3.495 0.288 1.00 0.00 H new ATOM 0 HA VAL A 79 2.380 -4.545 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 79 0.897 -3.561 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.990 -4.148 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.249 -5.588 2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.657 -4.819 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.751 -1.923 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.418 -2.595 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.839 -1.774 1.008 1.00 0.00 H new ATOM 1226 N TRP A 80 1.741 -6.802 1.014 1.00 0.00 N ATOM 1227 CA TRP A 80 1.297 -8.158 1.263 1.00 0.00 C ATOM 1228 C TRP A 80 2.049 -8.738 2.453 1.00 0.00 C ATOM 1229 O TRP A 80 3.183 -9.192 2.316 1.00 0.00 O ATOM 1230 CB TRP A 80 1.526 -9.005 0.014 1.00 0.00 C ATOM 1231 CG TRP A 80 0.702 -10.249 -0.063 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.493 -10.432 0.540 1.00 0.00 C ATOM 1233 CD2 TRP A 80 0.985 -11.494 -0.772 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.965 -11.696 0.254 1.00 0.00 N ATOM 1235 CE2 TRP A 80 -0.092 -12.395 -0.552 1.00 0.00 C ATOM 1236 CE3 TRP A 80 2.042 -11.954 -1.578 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 -0.120 -13.680 -1.101 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 2.023 -13.241 -2.133 1.00 0.00 C ATOM 1239 CH2 TRP A 80 0.947 -14.105 -1.897 1.00 0.00 C ATOM 0 H TRP A 80 2.754 -6.683 1.016 1.00 0.00 H new ATOM 0 HA TRP A 80 0.232 -8.158 1.497 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.318 -8.394 -0.864 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.579 -9.281 -0.032 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -1.001 -9.701 1.152 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.851 -12.068 0.597 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.883 -11.304 -1.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.956 -14.337 -0.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.847 -13.570 -2.749 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.942 -15.095 -2.328 1.00 0.00 H new ATOM 1250 N GLU A 81 1.412 -8.724 3.627 1.00 0.00 N ATOM 1251 CA GLU A 81 2.021 -9.248 4.832 1.00 0.00 C ATOM 1252 C GLU A 81 1.310 -10.524 5.260 1.00 0.00 C ATOM 1253 O GLU A 81 0.181 -10.779 4.847 1.00 0.00 O ATOM 1254 CB GLU A 81 1.953 -8.195 5.933 1.00 0.00 C ATOM 1255 CG GLU A 81 0.585 -7.519 5.910 1.00 0.00 C ATOM 1256 CD GLU A 81 -0.279 -8.002 7.065 1.00 0.00 C ATOM 1257 OE1 GLU A 81 -0.694 -9.179 7.010 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -0.509 -7.184 7.981 1.00 0.00 O ATOM 0 H GLU A 81 0.471 -8.352 3.759 1.00 0.00 H new ATOM 0 HA GLU A 81 3.067 -9.488 4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.125 -8.658 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.739 -7.453 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.708 -6.438 5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.086 -7.731 4.964 1.00 0.00 H new ATOM 1265 N LYS A 82 1.975 -11.326 6.095 1.00 0.00 N ATOM 1266 CA LYS A 82 1.406 -12.569 6.576 1.00 0.00 C ATOM 1267 C LYS A 82 1.621 -12.690 8.077 1.00 0.00 C ATOM 1268 O LYS A 82 2.757 -12.746 8.542 1.00 0.00 O ATOM 1269 CB LYS A 82 2.049 -13.741 5.841 1.00 0.00 C ATOM 1270 CG LYS A 82 2.470 -13.295 4.443 1.00 0.00 C ATOM 1271 CD LYS A 82 1.227 -13.034 3.597 1.00 0.00 C ATOM 1272 CE LYS A 82 1.289 -13.881 2.329 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.460 -13.526 1.513 1.00 0.00 N ATOM 0 H LYS A 82 2.911 -11.128 6.448 1.00 0.00 H new ATOM 0 HA LYS A 82 0.334 -12.580 6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.915 -14.101 6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.346 -14.571 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.077 -12.392 4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.087 -14.062 3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.329 -13.276 4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.165 -11.977 3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.334 -14.937 2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.379 -13.737 1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.145 -13.057 0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.075 -12.881 2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.989 -14.388 1.272 1.00 0.00 H new ATOM 1287 N PRO A 83 0.523 -12.732 8.837 1.00 0.00 N ATOM 1288 CA PRO A 83 0.534 -12.847 10.280 1.00 0.00 C ATOM 1289 C PRO A 83 0.947 -14.256 10.676 1.00 0.00 C ATOM 1290 O PRO A 83 1.810 -14.436 11.534 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.904 -12.557 10.705 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.716 -13.045 9.507 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.827 -12.668 8.324 1.00 0.00 C ATOM 0 HA PRO A 83 1.238 -12.164 10.756 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.171 -13.089 11.618 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.063 -11.496 10.896 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.898 -14.119 9.551 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.690 -12.559 9.453 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.966 -13.357 7.490 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.063 -11.670 7.955 1.00 0.00 H new ATOM 1301 N TRP A 84 0.327 -15.260 10.050 1.00 0.00 N ATOM 1302 CA TRP A 84 0.636 -16.646 10.343 1.00 0.00 C ATOM 1303 C TRP A 84 2.144 -16.846 10.372 1.00 0.00 C ATOM 1304 O TRP A 84 2.634 -17.824 10.933 1.00 0.00 O ATOM 1305 CB TRP A 84 -0.008 -17.542 9.290 1.00 0.00 C ATOM 1306 CG TRP A 84 0.594 -17.443 7.925 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.735 -18.048 7.530 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.111 -16.704 6.762 1.00 0.00 C ATOM 1309 NE1 TRP A 84 1.990 -17.737 6.211 1.00 0.00 N ATOM 1310 CE2 TRP A 84 1.018 -16.909 5.687 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -1.000 -15.881 6.504 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 0.835 -16.331 4.428 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -1.194 -15.296 5.245 1.00 0.00 C ATOM 1314 CH2 TRP A 84 -0.281 -15.518 4.207 1.00 0.00 C ATOM 0 H TRP A 84 -0.391 -15.130 9.338 1.00 0.00 H new ATOM 0 HA TRP A 84 0.237 -16.912 11.322 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.057 -18.577 9.626 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.067 -17.295 9.223 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.353 -18.679 8.152 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.797 -18.077 5.688 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.717 -15.696 7.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.547 -16.510 3.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -2.056 -14.668 5.074 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.438 -15.063 3.240 1.00 0.00 H new ATOM 1325 N MET A 85 2.881 -15.913 9.766 1.00 0.00 N ATOM 1326 CA MET A 85 4.328 -15.992 9.725 1.00 0.00 C ATOM 1327 C MET A 85 4.927 -14.600 9.871 1.00 0.00 C ATOM 1328 O MET A 85 6.109 -14.397 9.596 1.00 0.00 O ATOM 1329 CB MET A 85 4.764 -16.632 8.411 1.00 0.00 C ATOM 1330 CG MET A 85 4.269 -15.785 7.243 1.00 0.00 C ATOM 1331 SD MET A 85 4.459 -16.578 5.626 1.00 0.00 S ATOM 1332 CE MET A 85 6.264 -16.685 5.567 1.00 0.00 C ATOM 0 H MET A 85 2.491 -15.095 9.298 1.00 0.00 H new ATOM 0 HA MET A 85 4.685 -16.607 10.551 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.850 -16.716 8.378 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.363 -17.643 8.336 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.216 -15.549 7.399 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.811 -14.839 7.238 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.578 -16.985 4.567 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.694 -15.712 5.806 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.609 -17.422 6.292 1.00 0.00 H new ATOM 1342 N ASP A 86 4.108 -13.640 10.304 1.00 0.00 N ATOM 1343 CA ASP A 86 4.559 -12.274 10.484 1.00 0.00 C ATOM 1344 C ASP A 86 5.540 -11.907 9.380 1.00 0.00 C ATOM 1345 O ASP A 86 6.752 -11.955 9.582 1.00 0.00 O ATOM 1346 CB ASP A 86 5.209 -12.130 11.856 1.00 0.00 C ATOM 1347 CG ASP A 86 4.301 -12.679 12.948 1.00 0.00 C ATOM 1348 OD1 ASP A 86 3.147 -12.205 13.018 1.00 0.00 O ATOM 1349 OD2 ASP A 86 4.779 -13.562 13.692 1.00 0.00 O ATOM 0 H ASP A 86 3.126 -13.792 10.535 1.00 0.00 H new ATOM 0 HA ASP A 86 3.708 -11.595 10.428 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.161 -12.660 11.869 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.426 -11.080 12.052 1.00 0.00 H new ATOM 1354 N PHE A 87 5.015 -11.539 8.209 1.00 0.00 N ATOM 1355 CA PHE A 87 5.848 -11.166 7.083 1.00 0.00 C ATOM 1356 C PHE A 87 5.217 -9.998 6.338 1.00 0.00 C ATOM 1357 O PHE A 87 4.126 -9.551 6.688 1.00 0.00 O ATOM 1358 CB PHE A 87 6.018 -12.369 6.158 1.00 0.00 C ATOM 1359 CG PHE A 87 6.496 -12.001 4.774 1.00 0.00 C ATOM 1360 CD1 PHE A 87 7.722 -11.347 4.607 1.00 0.00 C ATOM 1361 CD2 PHE A 87 5.711 -12.314 3.657 1.00 0.00 C ATOM 1362 CE1 PHE A 87 8.163 -11.004 3.323 1.00 0.00 C ATOM 1363 CE2 PHE A 87 6.152 -11.972 2.374 1.00 0.00 C ATOM 1364 CZ PHE A 87 7.379 -11.317 2.207 1.00 0.00 C ATOM 0 H PHE A 87 4.013 -11.494 8.024 1.00 0.00 H new ATOM 0 HA PHE A 87 6.830 -10.855 7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.728 -13.064 6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.066 -12.893 6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.328 -11.107 5.468 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.765 -12.819 3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.108 -10.498 3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.547 -12.213 1.513 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.720 -11.054 1.217 1.00 0.00 H new ATOM 1374 N LYS A 88 5.907 -9.503 5.308 1.00 0.00 N ATOM 1375 CA LYS A 88 5.411 -8.392 4.520 1.00 0.00 C ATOM 1376 C LYS A 88 6.381 -8.086 3.388 1.00 0.00 C ATOM 1377 O LYS A 88 7.581 -8.328 3.511 1.00 0.00 O ATOM 1378 CB LYS A 88 5.230 -7.174 5.420 1.00 0.00 C ATOM 1379 CG LYS A 88 6.586 -6.743 5.972 1.00 0.00 C ATOM 1380 CD LYS A 88 6.684 -5.221 5.951 1.00 0.00 C ATOM 1381 CE LYS A 88 7.109 -4.719 7.328 1.00 0.00 C ATOM 1382 NZ LYS A 88 6.014 -4.857 8.301 1.00 0.00 N ATOM 0 H LYS A 88 6.813 -9.861 5.006 1.00 0.00 H new ATOM 0 HA LYS A 88 4.447 -8.653 4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.778 -6.357 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.551 -7.411 6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.710 -7.112 6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.388 -7.178 5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.405 -4.903 5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.723 -4.788 5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.978 -5.280 7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.411 -3.674 7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.227 -4.289 9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.126 -4.524 7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.914 -5.856 8.572 1.00 0.00 H new ATOM 1396 N GLU A 89 5.859 -7.553 2.281 1.00 0.00 N ATOM 1397 CA GLU A 89 6.680 -7.217 1.135 1.00 0.00 C ATOM 1398 C GLU A 89 5.926 -6.266 0.218 1.00 0.00 C ATOM 1399 O GLU A 89 4.823 -6.577 -0.235 1.00 0.00 O ATOM 1400 CB GLU A 89 7.062 -8.495 0.394 1.00 0.00 C ATOM 1401 CG GLU A 89 8.125 -8.175 -0.654 1.00 0.00 C ATOM 1402 CD GLU A 89 7.978 -9.079 -1.869 1.00 0.00 C ATOM 1403 OE1 GLU A 89 8.222 -10.295 -1.706 1.00 0.00 O ATOM 1404 OE2 GLU A 89 7.624 -8.538 -2.939 1.00 0.00 O ATOM 0 H GLU A 89 4.867 -7.347 2.162 1.00 0.00 H new ATOM 0 HA GLU A 89 7.590 -6.719 1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.441 -9.237 1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.183 -8.928 -0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.039 -7.132 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.118 -8.299 -0.221 1.00 0.00 H new ATOM 1411 N LEU A 90 6.522 -5.106 -0.058 1.00 0.00 N ATOM 1412 CA LEU A 90 5.906 -4.094 -0.917 1.00 0.00 C ATOM 1413 C LEU A 90 5.644 -4.625 -2.328 1.00 0.00 C ATOM 1414 O LEU A 90 6.524 -5.200 -2.965 1.00 0.00 O ATOM 1415 CB LEU A 90 6.808 -2.859 -0.983 1.00 0.00 C ATOM 1416 CG LEU A 90 6.119 -1.582 -1.509 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.448 -1.830 -2.856 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.102 -1.058 -0.502 1.00 0.00 C ATOM 0 H LEU A 90 7.438 -4.842 0.304 1.00 0.00 H new ATOM 0 HA LEU A 90 4.942 -3.828 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.200 -2.659 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.662 -3.084 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 90 6.892 -0.826 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.972 -0.912 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.197 -2.145 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.695 -2.611 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.630 -0.158 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.341 -1.818 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.606 -0.823 0.435 1.00 0.00 H new ATOM 1430 N GLN A 91 4.412 -4.428 -2.807 1.00 0.00 N ATOM 1431 CA GLN A 91 4.024 -4.884 -4.126 1.00 0.00 C ATOM 1432 C GLN A 91 4.128 -3.736 -5.121 1.00 0.00 C ATOM 1433 O GLN A 91 4.629 -3.914 -6.229 1.00 0.00 O ATOM 1434 CB GLN A 91 2.600 -5.429 -4.076 1.00 0.00 C ATOM 1435 CG GLN A 91 2.592 -6.769 -3.346 1.00 0.00 C ATOM 1436 CD GLN A 91 2.804 -7.919 -4.321 1.00 0.00 C ATOM 1437 OE1 GLN A 91 3.313 -7.716 -5.421 1.00 0.00 O ATOM 1438 NE2 GLN A 91 2.411 -9.128 -3.913 1.00 0.00 N ATOM 0 H GLN A 91 3.671 -3.953 -2.292 1.00 0.00 H new ATOM 0 HA GLN A 91 4.693 -5.681 -4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.946 -4.721 -3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.211 -5.551 -5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.376 -6.780 -2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.643 -6.898 -2.825 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.994 -9.244 -2.990 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.528 -9.936 -4.525 1.00 0.00 H new ATOM 1447 N GLU A 92 3.652 -2.554 -4.722 1.00 0.00 N ATOM 1448 CA GLU A 92 3.695 -1.387 -5.579 1.00 0.00 C ATOM 1449 C GLU A 92 2.770 -0.308 -5.034 1.00 0.00 C ATOM 1450 O GLU A 92 1.644 -0.594 -4.632 1.00 0.00 O ATOM 1451 CB GLU A 92 3.290 -1.782 -6.996 1.00 0.00 C ATOM 1452 CG GLU A 92 4.525 -1.797 -7.893 1.00 0.00 C ATOM 1453 CD GLU A 92 4.353 -2.787 -9.036 1.00 0.00 C ATOM 1454 OE1 GLU A 92 3.421 -2.569 -9.839 1.00 0.00 O ATOM 1455 OE2 GLU A 92 5.158 -3.741 -9.086 1.00 0.00 O ATOM 0 H GLU A 92 3.233 -2.389 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 92 4.709 -0.988 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.820 -2.765 -6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.554 -1.079 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.700 -0.799 -8.294 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.403 -2.063 -7.305 1.00 0.00 H new ATOM 1462 N PHE A 93 3.248 0.938 -5.022 1.00 0.00 N ATOM 1463 CA PHE A 93 2.462 2.052 -4.529 1.00 0.00 C ATOM 1464 C PHE A 93 2.440 3.167 -5.565 1.00 0.00 C ATOM 1465 O PHE A 93 3.284 4.060 -5.539 1.00 0.00 O ATOM 1466 CB PHE A 93 3.056 2.548 -3.213 1.00 0.00 C ATOM 1467 CG PHE A 93 4.114 3.611 -3.392 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.363 3.273 -3.926 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.844 4.935 -3.025 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.342 4.259 -4.094 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.824 5.921 -3.191 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.073 5.583 -3.726 1.00 0.00 C ATOM 0 H PHE A 93 4.179 1.193 -5.351 1.00 0.00 H new ATOM 0 HA PHE A 93 1.436 1.729 -4.352 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.255 2.945 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.488 1.703 -2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.571 2.252 -4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.880 5.196 -2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.305 3.999 -4.508 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.617 6.942 -2.906 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.829 6.343 -3.855 1.00 0.00 H new ATOM 1482 N LYS A 94 1.469 3.113 -6.480 1.00 0.00 N ATOM 1483 CA LYS A 94 1.342 4.116 -7.518 1.00 0.00 C ATOM 1484 C LYS A 94 -0.092 4.155 -8.028 1.00 0.00 C ATOM 1485 O LYS A 94 -0.847 3.203 -7.841 1.00 0.00 O ATOM 1486 CB LYS A 94 2.311 3.798 -8.654 1.00 0.00 C ATOM 1487 CG LYS A 94 3.737 3.776 -8.112 1.00 0.00 C ATOM 1488 CD LYS A 94 4.719 3.607 -9.269 1.00 0.00 C ATOM 1489 CE LYS A 94 5.375 2.232 -9.183 1.00 0.00 C ATOM 1490 NZ LYS A 94 5.139 1.457 -10.411 1.00 0.00 N ATOM 0 H LYS A 94 0.761 2.379 -6.515 1.00 0.00 H new ATOM 0 HA LYS A 94 1.588 5.097 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.064 2.834 -9.098 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.221 4.545 -9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.947 4.701 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.854 2.959 -7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.198 3.714 -10.221 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.479 4.387 -9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.447 2.346 -9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.979 1.689 -8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.595 0.526 -10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.116 1.330 -10.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.538 1.966 -11.225 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.465 5.260 -8.676 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.785 5.475 -9.230 1.00 0.00 C ATOM 1506 C PRO A 95 -1.966 4.605 -10.466 1.00 0.00 C ATOM 1507 O PRO A 95 -2.984 4.695 -11.148 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.820 6.958 -9.594 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.359 7.261 -9.922 1.00 0.00 C ATOM 1510 CD PRO A 95 0.396 6.399 -8.914 1.00 0.00 C ATOM 0 HA PRO A 95 -2.585 5.214 -8.537 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.474 7.150 -10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.184 7.569 -8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.111 6.994 -10.949 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.128 8.320 -9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.363 6.087 -9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.589 6.947 -7.992 1.00 0.00 H new ATOM 1518 N VAL A 96 -0.971 3.762 -10.755 1.00 0.00 N ATOM 1519 CA VAL A 96 -1.025 2.882 -11.906 1.00 0.00 C ATOM 1520 C VAL A 96 -1.391 3.683 -13.148 1.00 0.00 C ATOM 1521 O VAL A 96 -2.558 3.735 -13.533 1.00 0.00 O ATOM 1522 CB VAL A 96 -2.044 1.777 -11.654 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -2.145 0.885 -12.890 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -1.602 0.939 -10.458 1.00 0.00 C ATOM 0 H VAL A 96 -0.119 3.677 -10.200 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.049 2.425 -12.067 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.017 2.222 -11.446 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.874 0.095 -12.710 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.462 1.482 -13.745 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.172 0.440 -13.098 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.331 0.149 -10.278 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.629 0.494 -10.665 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.530 1.574 -9.575 1.00 0.00 H new