USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 733 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 90 SER OG : rot 180:sc= 0.0209 USER MOD Set 1.2: A 109 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.2!) USER MOD Set 2.1: A 58 MET CE :methyl -164:sc= -2.03 (180deg=-0.411) USER MOD Set 2.2: A 89 TYR OH : rot 30:sc= -0.807 USER MOD Set 3.1: A 56 TYR OH : rot -15:sc= 0.247 USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.0606 K(o=0.16,f=-0.42) USER MOD Set 3.3: A 78 THR OG1 : rot 140:sc= -0.0292 USER MOD Set 4.1: A 19 SER OG : rot 180:sc= -0.124 USER MOD Set 4.2: A 46 ASN : amide:sc= -1.61 K(o=-1.7,f=-5.7!) USER MOD Set 5.1: A 31 SER OG : rot -140:sc= 0.293 USER MOD Set 5.2: A 34 THR OG1 : rot 140:sc= -0.73 USER MOD Single : A 16 GLN : amide:sc= -0.0785 X(o=-0.078,f=0) USER MOD Single : A 20 SER OG : rot 20:sc= -0.395 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 29 MET CE :methyl 146:sc= -4.21! (180deg=-5.02!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc=-0.00567 X(o=-0.0057,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0992 X(o=-0.099,f=-0.21) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.751 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0574 USER MOD Single : A 65 ASN : amide:sc= -0.076 X(o=-0.076,f=-0.53) USER MOD Single : A 66 ASN : amide:sc= -0.0557 X(o=-0.056,f=0) USER MOD Single : A 68 MET CE :methyl -145:sc= 0 (180deg=-0.146) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.045 X(o=-0.045,f=-0.016) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.627 X(o=-0.63,f=-0.33) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 160:sc= -1.47 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -140:sc= -0.089 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0805 USER MOD Single : A 112 THR OG1 : rot -154:sc= -0.0475 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 186 N GLN A 16 -3.693 21.072 2.088 1.00 0.00 N ATOM 187 CA GLN A 16 -4.353 20.637 0.864 1.00 0.00 C ATOM 188 C GLN A 16 -4.389 19.115 0.775 1.00 0.00 C ATOM 189 O GLN A 16 -3.723 18.424 1.545 1.00 0.00 O ATOM 190 CB GLN A 16 -3.639 21.214 -0.359 1.00 0.00 C ATOM 191 CG GLN A 16 -2.123 21.138 -0.271 1.00 0.00 C ATOM 192 CD GLN A 16 -1.479 22.500 -0.108 1.00 0.00 C ATOM 193 OE1 GLN A 16 -0.794 22.761 0.882 1.00 0.00 O ATOM 194 NE2 GLN A 16 -1.695 23.378 -1.079 1.00 0.00 N ATOM 0 HA GLN A 16 -5.379 21.006 0.885 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.970 20.679 -1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.936 22.255 -0.485 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.843 20.505 0.571 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.734 20.662 -1.171 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.269 23.120 -1.882 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.287 24.311 -1.023 1.00 0.00 H new ATOM 203 N ALA A 17 -5.170 18.599 -0.169 1.00 0.00 N ATOM 204 CA ALA A 17 -5.291 17.160 -0.359 1.00 0.00 C ATOM 205 C ALA A 17 -3.963 16.551 -0.794 1.00 0.00 C ATOM 206 O ALA A 17 -3.074 17.236 -1.302 1.00 0.00 O ATOM 207 CB ALA A 17 -6.376 16.851 -1.379 1.00 0.00 C ATOM 0 H ALA A 17 -5.729 19.158 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.570 16.714 0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.455 15.772 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.329 17.244 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.122 17.315 -2.332 1.00 0.00 H new ATOM 213 N PRO A 18 -3.821 15.232 -0.592 1.00 0.00 N ATOM 214 CA PRO A 18 -2.603 14.502 -0.957 1.00 0.00 C ATOM 215 C PRO A 18 -2.426 14.387 -2.467 1.00 0.00 C ATOM 216 O PRO A 18 -3.389 14.156 -3.199 1.00 0.00 O ATOM 217 CB PRO A 18 -2.821 13.118 -0.338 1.00 0.00 C ATOM 218 CG PRO A 18 -4.301 12.972 -0.248 1.00 0.00 C ATOM 219 CD PRO A 18 -4.839 14.353 0.009 1.00 0.00 C ATOM 0 HA PRO A 18 -1.704 15.007 -0.603 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.383 12.334 -0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.356 13.046 0.645 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.709 12.560 -1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.578 12.290 0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.816 14.496 -0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.958 14.546 1.075 1.00 0.00 H new ATOM 227 N SER A 19 -1.190 14.552 -2.927 1.00 0.00 N ATOM 228 CA SER A 19 -0.888 14.472 -4.351 1.00 0.00 C ATOM 229 C SER A 19 0.236 13.474 -4.613 1.00 0.00 C ATOM 230 O SER A 19 0.951 13.573 -5.610 1.00 0.00 O ATOM 231 CB SER A 19 -0.498 15.848 -4.891 1.00 0.00 C ATOM 232 OG SER A 19 0.570 16.405 -4.145 1.00 0.00 O ATOM 0 H SER A 19 -0.382 14.742 -2.334 1.00 0.00 H new ATOM 0 HA SER A 19 -1.784 14.128 -4.867 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.208 15.762 -5.938 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.359 16.515 -4.852 1.00 0.00 H new ATOM 0 HG SER A 19 0.801 17.284 -4.511 1.00 0.00 H new ATOM 238 N SER A 20 0.387 12.511 -3.707 1.00 0.00 N ATOM 239 CA SER A 20 1.426 11.497 -3.836 1.00 0.00 C ATOM 240 C SER A 20 0.884 10.115 -3.483 1.00 0.00 C ATOM 241 O SER A 20 0.436 9.880 -2.361 1.00 0.00 O ATOM 242 CB SER A 20 2.616 11.836 -2.933 1.00 0.00 C ATOM 243 OG SER A 20 3.488 12.757 -3.566 1.00 0.00 O ATOM 0 H SER A 20 -0.197 12.413 -2.877 1.00 0.00 H new ATOM 0 HA SER A 20 1.758 11.484 -4.874 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.256 12.257 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.161 10.925 -2.686 1.00 0.00 H new ATOM 0 HG SER A 20 3.011 13.214 -4.290 1.00 0.00 H new ATOM 249 N ALA A 21 0.928 9.204 -4.449 1.00 0.00 N ATOM 250 CA ALA A 21 0.444 7.845 -4.241 1.00 0.00 C ATOM 251 C ALA A 21 1.352 7.078 -3.286 1.00 0.00 C ATOM 252 O ALA A 21 2.529 7.399 -3.118 1.00 0.00 O ATOM 253 CB ALA A 21 0.336 7.114 -5.570 1.00 0.00 C ATOM 0 H ALA A 21 1.294 9.383 -5.384 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.546 7.904 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.027 6.100 -5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.360 7.643 -6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.317 7.073 -6.044 1.00 0.00 H new ATOM 259 N PRO A 22 0.797 6.041 -2.643 1.00 0.00 N ATOM 260 CA PRO A 22 1.540 5.208 -1.693 1.00 0.00 C ATOM 261 C PRO A 22 2.593 4.344 -2.381 1.00 0.00 C ATOM 262 O PRO A 22 2.382 3.860 -3.493 1.00 0.00 O ATOM 263 CB PRO A 22 0.454 4.329 -1.067 1.00 0.00 C ATOM 264 CG PRO A 22 -0.625 4.272 -2.092 1.00 0.00 C ATOM 265 CD PRO A 22 -0.601 5.602 -2.795 1.00 0.00 C ATOM 0 HA PRO A 22 2.092 5.808 -0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.834 3.334 -0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.090 4.755 -0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.453 3.456 -2.794 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.595 4.094 -1.628 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.881 5.507 -3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.296 6.309 -2.342 1.00 0.00 H new ATOM 273 N ARG A 23 3.725 4.155 -1.712 1.00 0.00 N ATOM 274 CA ARG A 23 4.810 3.350 -2.258 1.00 0.00 C ATOM 275 C ARG A 23 5.198 2.232 -1.294 1.00 0.00 C ATOM 276 O ARG A 23 4.690 2.161 -0.175 1.00 0.00 O ATOM 277 CB ARG A 23 6.027 4.228 -2.553 1.00 0.00 C ATOM 278 CG ARG A 23 5.677 5.544 -3.228 1.00 0.00 C ATOM 279 CD ARG A 23 6.917 6.232 -3.781 1.00 0.00 C ATOM 280 NE ARG A 23 8.009 6.256 -2.812 1.00 0.00 N ATOM 281 CZ ARG A 23 8.008 7.015 -1.722 1.00 0.00 C ATOM 282 NH1 ARG A 23 6.978 7.809 -1.465 1.00 0.00 N ATOM 283 NH2 ARG A 23 9.040 6.981 -0.889 1.00 0.00 N ATOM 0 H ARG A 23 3.915 4.549 -0.790 1.00 0.00 H new ATOM 0 HA ARG A 23 4.461 2.900 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.550 4.436 -1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.718 3.675 -3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.969 5.363 -4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.183 6.201 -2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.245 5.717 -4.684 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.667 7.253 -4.070 1.00 0.00 H new ATOM 0 HE ARG A 23 8.817 5.657 -2.981 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.184 7.838 -2.105 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.979 8.391 -0.627 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.834 6.372 -1.086 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.039 7.564 -0.052 1.00 0.00 H new ATOM 297 N ASP A 24 6.098 1.362 -1.736 1.00 0.00 N ATOM 298 CA ASP A 24 6.554 0.247 -0.914 1.00 0.00 C ATOM 299 C ASP A 24 5.371 -0.557 -0.382 1.00 0.00 C ATOM 300 O ASP A 24 5.412 -1.080 0.730 1.00 0.00 O ATOM 301 CB ASP A 24 7.402 0.760 0.252 1.00 0.00 C ATOM 302 CG ASP A 24 8.687 -0.023 0.422 1.00 0.00 C ATOM 303 OD1 ASP A 24 8.611 -1.222 0.763 1.00 0.00 O ATOM 304 OD2 ASP A 24 9.771 0.562 0.213 1.00 0.00 O ATOM 0 H ASP A 24 6.527 1.407 -2.660 1.00 0.00 H new ATOM 0 HA ASP A 24 7.163 -0.407 -1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.640 1.811 0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.821 0.703 1.172 1.00 0.00 H new ATOM 309 N VAL A 25 4.317 -0.648 -1.187 1.00 0.00 N ATOM 310 CA VAL A 25 3.121 -1.388 -0.798 1.00 0.00 C ATOM 311 C VAL A 25 3.070 -2.748 -1.485 1.00 0.00 C ATOM 312 O VAL A 25 3.514 -2.897 -2.624 1.00 0.00 O ATOM 313 CB VAL A 25 1.840 -0.604 -1.141 1.00 0.00 C ATOM 314 CG1 VAL A 25 1.799 -0.269 -2.623 1.00 0.00 C ATOM 315 CG2 VAL A 25 0.608 -1.394 -0.730 1.00 0.00 C ATOM 0 H VAL A 25 4.266 -0.219 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 25 3.173 -1.530 0.281 1.00 0.00 H new ATOM 0 HB VAL A 25 1.847 0.332 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.887 0.285 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.665 0.339 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.815 -1.191 -3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.288 -0.826 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.593 -2.346 -1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.635 -1.577 0.344 1.00 0.00 H new ATOM 325 N GLN A 26 2.526 -3.738 -0.784 1.00 0.00 N ATOM 326 CA GLN A 26 2.416 -5.087 -1.327 1.00 0.00 C ATOM 327 C GLN A 26 1.453 -5.930 -0.500 1.00 0.00 C ATOM 328 O GLN A 26 0.887 -5.457 0.486 1.00 0.00 O ATOM 329 CB GLN A 26 3.792 -5.756 -1.367 1.00 0.00 C ATOM 330 CG GLN A 26 4.493 -5.622 -2.710 1.00 0.00 C ATOM 331 CD GLN A 26 4.823 -6.964 -3.331 1.00 0.00 C ATOM 332 OE1 GLN A 26 5.570 -7.760 -2.759 1.00 0.00 O ATOM 333 NE2 GLN A 26 4.267 -7.224 -4.509 1.00 0.00 N ATOM 0 H GLN A 26 2.155 -3.631 0.160 1.00 0.00 H new ATOM 0 HA GLN A 26 2.025 -5.012 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.422 -5.319 -0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.680 -6.814 -1.128 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.858 -5.056 -3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.412 -5.050 -2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.654 -6.536 -4.947 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.453 -8.112 -4.976 1.00 0.00 H new ATOM 342 N ALA A 27 1.267 -7.181 -0.908 1.00 0.00 N ATOM 343 CA ALA A 27 0.373 -8.091 -0.203 1.00 0.00 C ATOM 344 C ALA A 27 1.048 -9.432 0.061 1.00 0.00 C ATOM 345 O ALA A 27 1.482 -10.113 -0.870 1.00 0.00 O ATOM 346 CB ALA A 27 -0.909 -8.291 -0.998 1.00 0.00 C ATOM 0 H ALA A 27 1.724 -7.588 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 27 0.126 -7.644 0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.568 -8.973 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.409 -7.331 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.670 -8.712 -1.974 1.00 0.00 H new ATOM 352 N ARG A 28 1.136 -9.805 1.333 1.00 0.00 N ATOM 353 CA ARG A 28 1.762 -11.065 1.717 1.00 0.00 C ATOM 354 C ARG A 28 0.727 -12.038 2.274 1.00 0.00 C ATOM 355 O ARG A 28 -0.020 -11.705 3.194 1.00 0.00 O ATOM 356 CB ARG A 28 2.857 -10.818 2.756 1.00 0.00 C ATOM 357 CG ARG A 28 2.428 -9.897 3.886 1.00 0.00 C ATOM 358 CD ARG A 28 3.054 -8.518 3.750 1.00 0.00 C ATOM 359 NE ARG A 28 4.514 -8.574 3.791 1.00 0.00 N ATOM 360 CZ ARG A 28 5.299 -7.577 3.395 1.00 0.00 C ATOM 361 NH1 ARG A 28 4.766 -6.456 2.930 1.00 0.00 N ATOM 362 NH2 ARG A 28 6.617 -7.703 3.462 1.00 0.00 N ATOM 0 H ARG A 28 0.782 -9.254 2.115 1.00 0.00 H new ATOM 0 HA ARG A 28 2.209 -11.507 0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.169 -11.774 3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.727 -10.389 2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.342 -9.806 3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.714 -10.335 4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.735 -8.066 2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.693 -7.875 4.553 1.00 0.00 H new ATOM 0 HE ARG A 28 4.954 -9.424 4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.752 -6.358 2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.370 -5.692 2.627 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.029 -8.565 3.818 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.219 -6.937 3.158 1.00 0.00 H new ATOM 376 N MET A 29 0.689 -13.240 1.710 1.00 0.00 N ATOM 377 CA MET A 29 -0.254 -14.263 2.151 1.00 0.00 C ATOM 378 C MET A 29 0.261 -14.973 3.399 1.00 0.00 C ATOM 379 O MET A 29 1.420 -15.382 3.459 1.00 0.00 O ATOM 380 CB MET A 29 -0.497 -15.279 1.034 1.00 0.00 C ATOM 381 CG MET A 29 -1.859 -15.140 0.372 1.00 0.00 C ATOM 382 SD MET A 29 -3.220 -15.455 1.512 1.00 0.00 S ATOM 383 CE MET A 29 -4.100 -16.746 0.637 1.00 0.00 C ATOM 0 H MET A 29 1.300 -13.531 0.947 1.00 0.00 H new ATOM 0 HA MET A 29 -1.196 -13.773 2.396 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.279 -15.167 0.277 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.401 -16.285 1.442 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.959 -14.135 -0.038 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.924 -15.834 -0.466 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.537 -17.440 1.355 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.892 -16.302 0.034 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.408 -17.283 -0.011 1.00 0.00 H new ATOM 393 N LEU A 30 -0.610 -15.119 4.392 1.00 0.00 N ATOM 394 CA LEU A 30 -0.243 -15.782 5.639 1.00 0.00 C ATOM 395 C LEU A 30 -1.095 -17.026 5.865 1.00 0.00 C ATOM 396 O LEU A 30 -0.663 -17.978 6.515 1.00 0.00 O ATOM 397 CB LEU A 30 -0.404 -14.819 6.817 1.00 0.00 C ATOM 398 CG LEU A 30 -0.011 -13.365 6.554 1.00 0.00 C ATOM 399 CD1 LEU A 30 -0.466 -12.474 7.700 1.00 0.00 C ATOM 400 CD2 LEU A 30 1.492 -13.248 6.348 1.00 0.00 C ATOM 0 H LEU A 30 -1.574 -14.788 4.358 1.00 0.00 H new ATOM 0 HA LEU A 30 0.801 -16.087 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.445 -14.840 7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.194 -15.191 7.649 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.509 -13.032 5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.178 -11.443 7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.550 -12.535 7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.003 -12.805 8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.754 -12.206 6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.010 -13.599 7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.790 -13.855 5.493 1.00 0.00 H new ATOM 412 N SER A 31 -2.309 -17.013 5.323 1.00 0.00 N ATOM 413 CA SER A 31 -3.222 -18.140 5.466 1.00 0.00 C ATOM 414 C SER A 31 -3.786 -18.558 4.111 1.00 0.00 C ATOM 415 O SER A 31 -3.308 -18.120 3.066 1.00 0.00 O ATOM 416 CB SER A 31 -4.366 -17.780 6.418 1.00 0.00 C ATOM 417 OG SER A 31 -4.065 -16.607 7.155 1.00 0.00 O ATOM 0 H SER A 31 -2.683 -16.234 4.781 1.00 0.00 H new ATOM 0 HA SER A 31 -2.663 -18.978 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.284 -17.631 5.849 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.547 -18.608 7.104 1.00 0.00 H new ATOM 0 HG SER A 31 -4.372 -16.714 8.080 1.00 0.00 H new ATOM 423 N SER A 32 -4.808 -19.409 4.139 1.00 0.00 N ATOM 424 CA SER A 32 -5.436 -19.890 2.915 1.00 0.00 C ATOM 425 C SER A 32 -6.501 -18.913 2.429 1.00 0.00 C ATOM 426 O SER A 32 -6.919 -18.953 1.271 1.00 0.00 O ATOM 427 CB SER A 32 -6.058 -21.268 3.142 1.00 0.00 C ATOM 428 OG SER A 32 -5.197 -22.097 3.906 1.00 0.00 O ATOM 0 H SER A 32 -5.218 -19.779 4.997 1.00 0.00 H new ATOM 0 HA SER A 32 -4.665 -19.969 2.149 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.013 -21.159 3.656 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.264 -21.740 2.181 1.00 0.00 H new ATOM 0 HG SER A 32 -5.618 -22.972 4.039 1.00 0.00 H new ATOM 434 N THR A 33 -6.939 -18.033 3.324 1.00 0.00 N ATOM 435 CA THR A 33 -7.956 -17.044 2.990 1.00 0.00 C ATOM 436 C THR A 33 -7.763 -15.762 3.792 1.00 0.00 C ATOM 437 O THR A 33 -8.731 -15.128 4.211 1.00 0.00 O ATOM 438 CB THR A 33 -9.374 -17.589 3.249 1.00 0.00 C ATOM 439 OG1 THR A 33 -9.432 -18.215 4.536 1.00 0.00 O ATOM 440 CG2 THR A 33 -9.774 -18.589 2.174 1.00 0.00 C ATOM 0 H THR A 33 -6.605 -17.985 4.287 1.00 0.00 H new ATOM 0 HA THR A 33 -7.846 -16.824 1.928 1.00 0.00 H new ATOM 0 HB THR A 33 -10.071 -16.752 3.222 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.337 -18.557 4.693 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.778 -18.960 2.378 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.758 -18.101 1.199 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.072 -19.423 2.174 1.00 0.00 H new ATOM 448 N THR A 34 -6.506 -15.386 4.001 1.00 0.00 N ATOM 449 CA THR A 34 -6.184 -14.178 4.754 1.00 0.00 C ATOM 450 C THR A 34 -4.923 -13.514 4.214 1.00 0.00 C ATOM 451 O THR A 34 -3.845 -14.110 4.222 1.00 0.00 O ATOM 452 CB THR A 34 -5.990 -14.485 6.250 1.00 0.00 C ATOM 453 OG1 THR A 34 -6.516 -15.781 6.557 1.00 0.00 O ATOM 454 CG2 THR A 34 -6.677 -13.436 7.111 1.00 0.00 C ATOM 0 H THR A 34 -5.693 -15.900 3.660 1.00 0.00 H new ATOM 0 HA THR A 34 -7.027 -13.497 4.637 1.00 0.00 H new ATOM 0 HB THR A 34 -4.922 -14.467 6.466 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.919 -16.236 7.187 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.526 -13.674 8.164 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.253 -12.455 6.896 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.744 -13.426 6.890 1.00 0.00 H new ATOM 462 N ILE A 35 -5.064 -12.278 3.747 1.00 0.00 N ATOM 463 CA ILE A 35 -3.935 -11.533 3.206 1.00 0.00 C ATOM 464 C ILE A 35 -3.650 -10.286 4.037 1.00 0.00 C ATOM 465 O ILE A 35 -4.474 -9.867 4.852 1.00 0.00 O ATOM 466 CB ILE A 35 -4.183 -11.116 1.745 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.384 -10.170 1.659 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.407 -12.344 0.874 1.00 0.00 C ATOM 469 CD1 ILE A 35 -5.581 -9.568 0.284 1.00 0.00 C ATOM 0 H ILE A 35 -5.949 -11.772 3.733 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.072 -12.198 3.244 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.302 -10.590 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.286 -10.714 1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.256 -9.366 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.581 -12.033 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.526 -12.985 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.274 -12.895 1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.449 -8.909 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.695 -8.996 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.741 -10.365 -0.443 1.00 0.00 H new ATOM 481 N LEU A 36 -2.479 -9.696 3.826 1.00 0.00 N ATOM 482 CA LEU A 36 -2.085 -8.495 4.554 1.00 0.00 C ATOM 483 C LEU A 36 -1.451 -7.473 3.614 1.00 0.00 C ATOM 484 O LEU A 36 -0.451 -7.757 2.955 1.00 0.00 O ATOM 485 CB LEU A 36 -1.106 -8.852 5.674 1.00 0.00 C ATOM 486 CG LEU A 36 -0.230 -7.709 6.189 1.00 0.00 C ATOM 487 CD1 LEU A 36 -1.083 -6.501 6.543 1.00 0.00 C ATOM 488 CD2 LEU A 36 0.583 -8.162 7.393 1.00 0.00 C ATOM 0 H LEU A 36 -1.785 -10.030 3.157 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.981 -8.053 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.675 -9.253 6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.455 -9.651 5.319 1.00 0.00 H new ATOM 0 HG LEU A 36 0.461 -7.420 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.443 -5.698 6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.620 -6.163 5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.798 -6.775 7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.201 -7.336 7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.091 -8.478 8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.223 -8.997 7.107 1.00 0.00 H new ATOM 500 N VAL A 37 -2.038 -6.281 3.562 1.00 0.00 N ATOM 501 CA VAL A 37 -1.528 -5.216 2.708 1.00 0.00 C ATOM 502 C VAL A 37 -0.994 -4.053 3.538 1.00 0.00 C ATOM 503 O VAL A 37 -1.722 -3.463 4.336 1.00 0.00 O ATOM 504 CB VAL A 37 -2.618 -4.692 1.754 1.00 0.00 C ATOM 505 CG1 VAL A 37 -2.088 -3.536 0.920 1.00 0.00 C ATOM 506 CG2 VAL A 37 -3.127 -5.814 0.861 1.00 0.00 C ATOM 0 H VAL A 37 -2.867 -6.029 4.101 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.715 -5.643 2.121 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.453 -4.325 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.872 -3.179 0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.776 -2.725 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.235 -3.873 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.897 -5.427 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.302 -6.212 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.548 -6.608 1.478 1.00 0.00 H new ATOM 516 N GLN A 38 0.280 -3.731 3.344 1.00 0.00 N ATOM 517 CA GLN A 38 0.911 -2.639 4.074 1.00 0.00 C ATOM 518 C GLN A 38 1.662 -1.711 3.125 1.00 0.00 C ATOM 519 O GLN A 38 2.523 -2.151 2.363 1.00 0.00 O ATOM 520 CB GLN A 38 1.870 -3.192 5.131 1.00 0.00 C ATOM 521 CG GLN A 38 2.974 -4.063 4.554 1.00 0.00 C ATOM 522 CD GLN A 38 3.805 -4.738 5.628 1.00 0.00 C ATOM 523 OE1 GLN A 38 4.911 -4.296 5.942 1.00 0.00 O ATOM 524 NE2 GLN A 38 3.276 -5.815 6.197 1.00 0.00 N ATOM 0 H GLN A 38 0.896 -4.211 2.687 1.00 0.00 H new ATOM 0 HA GLN A 38 0.127 -2.065 4.568 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.320 -2.360 5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.302 -3.774 5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.533 -4.823 3.910 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.624 -3.452 3.927 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.356 -6.146 5.906 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.789 -6.311 6.925 1.00 0.00 H new ATOM 533 N TRP A 39 1.331 -0.426 3.178 1.00 0.00 N ATOM 534 CA TRP A 39 1.975 0.565 2.323 1.00 0.00 C ATOM 535 C TRP A 39 2.801 1.543 3.150 1.00 0.00 C ATOM 536 O TRP A 39 2.806 1.484 4.380 1.00 0.00 O ATOM 537 CB TRP A 39 0.926 1.324 1.510 1.00 0.00 C ATOM 538 CG TRP A 39 -0.164 1.917 2.351 1.00 0.00 C ATOM 539 CD1 TRP A 39 -0.263 3.213 2.769 1.00 0.00 C ATOM 540 CD2 TRP A 39 -1.306 1.235 2.878 1.00 0.00 C ATOM 541 NE1 TRP A 39 -1.399 3.378 3.524 1.00 0.00 N ATOM 542 CE2 TRP A 39 -2.057 2.179 3.606 1.00 0.00 C ATOM 543 CE3 TRP A 39 -1.769 -0.083 2.806 1.00 0.00 C ATOM 544 CZ2 TRP A 39 -3.243 1.846 4.255 1.00 0.00 C ATOM 545 CZ3 TRP A 39 -2.946 -0.411 3.451 1.00 0.00 C ATOM 546 CH2 TRP A 39 -3.672 0.549 4.168 1.00 0.00 C ATOM 0 H TRP A 39 0.621 -0.046 3.804 1.00 0.00 H new ATOM 0 HA TRP A 39 2.644 0.041 1.641 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.417 2.120 0.950 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.484 0.647 0.779 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.447 3.994 2.540 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -1.703 4.252 3.954 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.217 -0.831 2.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -3.805 2.585 4.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.313 -1.426 3.402 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.588 0.260 4.662 1.00 0.00 H new ATOM 557 N LYS A 40 3.502 2.443 2.467 1.00 0.00 N ATOM 558 CA LYS A 40 4.333 3.436 3.138 1.00 0.00 C ATOM 559 C LYS A 40 3.830 4.848 2.852 1.00 0.00 C ATOM 560 O LYS A 40 3.272 5.114 1.788 1.00 0.00 O ATOM 561 CB LYS A 40 5.789 3.301 2.689 1.00 0.00 C ATOM 562 CG LYS A 40 6.584 2.294 3.502 1.00 0.00 C ATOM 563 CD LYS A 40 8.028 2.218 3.035 1.00 0.00 C ATOM 564 CE LYS A 40 8.970 2.892 4.022 1.00 0.00 C ATOM 565 NZ LYS A 40 9.848 1.906 4.712 1.00 0.00 N ATOM 0 H LYS A 40 3.511 2.505 1.449 1.00 0.00 H new ATOM 0 HA LYS A 40 4.273 3.258 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.811 3.007 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.274 4.275 2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.555 2.571 4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.121 1.311 3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.316 1.174 2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.121 2.694 2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.586 3.621 3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.388 3.441 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.475 2.404 5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.261 1.225 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.422 1.400 4.008 1.00 0.00 H new ATOM 579 N GLU A 41 4.036 5.750 3.807 1.00 0.00 N ATOM 580 CA GLU A 41 3.603 7.134 3.656 1.00 0.00 C ATOM 581 C GLU A 41 4.104 7.719 2.338 1.00 0.00 C ATOM 582 O GLU A 41 5.158 7.346 1.824 1.00 0.00 O ATOM 583 CB GLU A 41 4.109 7.980 4.825 1.00 0.00 C ATOM 584 CG GLU A 41 3.036 8.308 5.848 1.00 0.00 C ATOM 585 CD GLU A 41 3.420 9.469 6.746 1.00 0.00 C ATOM 586 OE1 GLU A 41 3.197 10.630 6.345 1.00 0.00 O ATOM 587 OE2 GLU A 41 3.944 9.216 7.851 1.00 0.00 O ATOM 0 H GLU A 41 4.500 5.547 4.693 1.00 0.00 H new ATOM 0 HA GLU A 41 2.513 7.149 3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.922 7.450 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.525 8.910 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.107 8.546 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.843 7.428 6.461 1.00 0.00 H new ATOM 594 N PRO A 42 3.326 8.656 1.775 1.00 0.00 N ATOM 595 CA PRO A 42 3.668 9.312 0.509 1.00 0.00 C ATOM 596 C PRO A 42 4.866 10.247 0.646 1.00 0.00 C ATOM 597 O PRO A 42 5.349 10.494 1.751 1.00 0.00 O ATOM 598 CB PRO A 42 2.406 10.108 0.170 1.00 0.00 C ATOM 599 CG PRO A 42 1.747 10.353 1.484 1.00 0.00 C ATOM 600 CD PRO A 42 2.055 9.149 2.331 1.00 0.00 C ATOM 0 HA PRO A 42 3.954 8.593 -0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.651 11.045 -0.330 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.754 9.549 -0.502 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.126 11.264 1.947 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.671 10.481 1.364 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.153 9.413 3.384 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.268 8.398 2.262 1.00 0.00 H new ATOM 608 N GLU A 43 5.341 10.762 -0.483 1.00 0.00 N ATOM 609 CA GLU A 43 6.483 11.669 -0.488 1.00 0.00 C ATOM 610 C GLU A 43 6.028 13.116 -0.647 1.00 0.00 C ATOM 611 O GLU A 43 6.814 13.988 -1.019 1.00 0.00 O ATOM 612 CB GLU A 43 7.451 11.301 -1.615 1.00 0.00 C ATOM 613 CG GLU A 43 6.887 11.543 -3.005 1.00 0.00 C ATOM 614 CD GLU A 43 7.940 11.430 -4.090 1.00 0.00 C ATOM 615 OE1 GLU A 43 8.648 12.428 -4.335 1.00 0.00 O ATOM 616 OE2 GLU A 43 8.055 10.342 -4.693 1.00 0.00 O ATOM 0 H GLU A 43 4.953 10.567 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 43 6.996 11.570 0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.368 11.879 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.723 10.250 -1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.091 10.824 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.437 12.535 -3.043 1.00 0.00 H new ATOM 623 N GLU A 44 4.752 13.364 -0.364 1.00 0.00 N ATOM 624 CA GLU A 44 4.193 14.707 -0.476 1.00 0.00 C ATOM 625 C GLU A 44 2.744 14.734 0.004 1.00 0.00 C ATOM 626 O GLU A 44 1.805 14.851 -0.783 1.00 0.00 O ATOM 627 CB GLU A 44 4.271 15.195 -1.924 1.00 0.00 C ATOM 628 CG GLU A 44 4.367 16.707 -2.051 1.00 0.00 C ATOM 629 CD GLU A 44 5.101 17.140 -3.306 1.00 0.00 C ATOM 630 OE1 GLU A 44 6.344 17.017 -3.338 1.00 0.00 O ATOM 631 OE2 GLU A 44 4.433 17.601 -4.254 1.00 0.00 O ATOM 0 H GLU A 44 4.087 12.654 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 44 4.780 15.373 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.138 14.742 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.390 14.848 -2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.363 17.132 -2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.879 17.110 -1.177 1.00 0.00 H new ATOM 638 N PRO A 45 2.559 14.621 1.328 1.00 0.00 N ATOM 639 CA PRO A 45 1.228 14.631 1.943 1.00 0.00 C ATOM 640 C PRO A 45 0.496 15.950 1.721 1.00 0.00 C ATOM 641 O PRO A 45 -0.633 15.968 1.234 1.00 0.00 O ATOM 642 CB PRO A 45 1.524 14.428 3.431 1.00 0.00 C ATOM 643 CG PRO A 45 2.949 14.831 3.592 1.00 0.00 C ATOM 644 CD PRO A 45 3.632 14.478 2.325 1.00 0.00 C ATOM 0 HA PRO A 45 0.576 13.869 1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.868 15.038 4.052 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.370 13.390 3.727 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.030 15.900 3.792 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.405 14.314 4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.469 15.144 2.117 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.030 13.464 2.349 1.00 0.00 H new ATOM 652 N ASN A 46 1.146 17.050 2.082 1.00 0.00 N ATOM 653 CA ASN A 46 0.555 18.375 1.921 1.00 0.00 C ATOM 654 C ASN A 46 -0.691 18.523 2.790 1.00 0.00 C ATOM 655 O ASN A 46 -1.531 19.388 2.547 1.00 0.00 O ATOM 656 CB ASN A 46 0.199 18.624 0.455 1.00 0.00 C ATOM 657 CG ASN A 46 1.238 18.059 -0.495 1.00 0.00 C ATOM 658 OD1 ASN A 46 2.440 18.163 -0.253 1.00 0.00 O ATOM 659 ND2 ASN A 46 0.777 17.456 -1.586 1.00 0.00 N ATOM 0 H ASN A 46 2.082 17.052 2.488 1.00 0.00 H new ATOM 0 HA ASN A 46 1.290 19.114 2.239 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.770 18.175 0.238 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.099 19.696 0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.428 17.057 -2.262 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.228 17.392 -1.747 1.00 0.00 H new ATOM 666 N GLY A 47 -0.800 17.674 3.809 1.00 0.00 N ATOM 667 CA GLY A 47 -1.946 17.728 4.699 1.00 0.00 C ATOM 668 C GLY A 47 -1.983 16.561 5.664 1.00 0.00 C ATOM 669 O GLY A 47 -1.483 15.478 5.360 1.00 0.00 O ATOM 0 H GLY A 47 -0.116 16.951 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.922 18.661 5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.862 17.736 4.108 1.00 0.00 H new ATOM 673 N GLN A 48 -2.576 16.781 6.833 1.00 0.00 N ATOM 674 CA GLN A 48 -2.676 15.739 7.848 1.00 0.00 C ATOM 675 C GLN A 48 -3.467 14.544 7.326 1.00 0.00 C ATOM 676 O GLN A 48 -4.658 14.656 7.033 1.00 0.00 O ATOM 677 CB GLN A 48 -3.336 16.289 9.113 1.00 0.00 C ATOM 678 CG GLN A 48 -2.531 16.042 10.377 1.00 0.00 C ATOM 679 CD GLN A 48 -2.822 17.056 11.464 1.00 0.00 C ATOM 680 OE1 GLN A 48 -3.977 17.274 11.834 1.00 0.00 O ATOM 681 NE2 GLN A 48 -1.774 17.688 11.983 1.00 0.00 N ATOM 0 H GLN A 48 -2.995 17.672 7.101 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.667 15.406 8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.491 17.361 8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.321 15.835 9.225 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.749 15.042 10.752 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.468 16.068 10.137 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.834 17.477 11.648 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.910 18.384 12.717 1.00 0.00 H new ATOM 690 N ILE A 49 -2.798 13.402 7.212 1.00 0.00 N ATOM 691 CA ILE A 49 -3.440 12.187 6.725 1.00 0.00 C ATOM 692 C ILE A 49 -4.480 11.680 7.718 1.00 0.00 C ATOM 693 O ILE A 49 -4.204 11.554 8.910 1.00 0.00 O ATOM 694 CB ILE A 49 -2.410 11.071 6.464 1.00 0.00 C ATOM 695 CG1 ILE A 49 -1.368 11.537 5.444 1.00 0.00 C ATOM 696 CG2 ILE A 49 -3.107 9.809 5.979 1.00 0.00 C ATOM 697 CD1 ILE A 49 -1.947 11.817 4.076 1.00 0.00 C ATOM 0 H ILE A 49 -1.812 13.292 7.450 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.931 12.444 5.786 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.899 10.843 7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.884 12.440 5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.594 10.775 5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.366 9.030 5.799 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.814 9.470 6.736 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.642 10.022 5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.153 12.143 3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.406 10.910 3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.701 12.601 4.153 1.00 0.00 H new ATOM 709 N GLN A 50 -5.677 11.390 7.216 1.00 0.00 N ATOM 710 CA GLN A 50 -6.759 10.895 8.059 1.00 0.00 C ATOM 711 C GLN A 50 -6.951 9.393 7.874 1.00 0.00 C ATOM 712 O GLN A 50 -7.443 8.705 8.767 1.00 0.00 O ATOM 713 CB GLN A 50 -8.060 11.631 7.738 1.00 0.00 C ATOM 714 CG GLN A 50 -7.977 13.135 7.946 1.00 0.00 C ATOM 715 CD GLN A 50 -7.576 13.507 9.359 1.00 0.00 C ATOM 716 OE1 GLN A 50 -8.100 12.962 10.331 1.00 0.00 O ATOM 717 NE2 GLN A 50 -6.639 14.441 9.483 1.00 0.00 N ATOM 0 H GLN A 50 -5.921 11.489 6.231 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.491 11.082 9.099 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.335 11.431 6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.858 11.230 8.363 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.256 13.556 7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.944 13.584 7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.231 14.867 8.651 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.328 14.732 10.410 1.00 0.00 H new ATOM 726 N GLY A 51 -6.557 8.891 6.707 1.00 0.00 N ATOM 727 CA GLY A 51 -6.695 7.475 6.426 1.00 0.00 C ATOM 728 C GLY A 51 -6.304 7.125 5.004 1.00 0.00 C ATOM 729 O GLY A 51 -5.678 7.927 4.310 1.00 0.00 O ATOM 0 H GLY A 51 -6.145 9.440 5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.075 6.908 7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.727 7.172 6.601 1.00 0.00 H new ATOM 733 N TYR A 52 -6.671 5.925 4.569 1.00 0.00 N ATOM 734 CA TYR A 52 -6.352 5.469 3.222 1.00 0.00 C ATOM 735 C TYR A 52 -7.450 4.561 2.678 1.00 0.00 C ATOM 736 O TYR A 52 -8.143 3.884 3.436 1.00 0.00 O ATOM 737 CB TYR A 52 -5.012 4.729 3.215 1.00 0.00 C ATOM 738 CG TYR A 52 -3.911 5.464 3.945 1.00 0.00 C ATOM 739 CD1 TYR A 52 -3.757 5.336 5.320 1.00 0.00 C ATOM 740 CD2 TYR A 52 -3.025 6.285 3.261 1.00 0.00 C ATOM 741 CE1 TYR A 52 -2.754 6.005 5.993 1.00 0.00 C ATOM 742 CE2 TYR A 52 -2.016 6.957 3.925 1.00 0.00 C ATOM 743 CZ TYR A 52 -1.885 6.814 5.290 1.00 0.00 C ATOM 744 OH TYR A 52 -0.883 7.483 5.955 1.00 0.00 O ATOM 0 H TYR A 52 -7.190 5.250 5.130 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.279 6.345 2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.146 3.748 3.670 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.704 4.562 2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.434 4.702 5.872 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.126 6.401 2.192 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.650 5.896 7.062 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.334 7.591 3.378 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.359 8.008 5.314 1.00 0.00 H new ATOM 754 N ARG A 53 -7.601 4.553 1.357 1.00 0.00 N ATOM 755 CA ARG A 53 -8.616 3.728 0.710 1.00 0.00 C ATOM 756 C ARG A 53 -7.974 2.554 -0.023 1.00 0.00 C ATOM 757 O ARG A 53 -6.979 2.717 -0.727 1.00 0.00 O ATOM 758 CB ARG A 53 -9.436 4.568 -0.269 1.00 0.00 C ATOM 759 CG ARG A 53 -10.487 5.435 0.404 1.00 0.00 C ATOM 760 CD ARG A 53 -10.868 6.624 -0.463 1.00 0.00 C ATOM 761 NE ARG A 53 -11.230 7.793 0.336 1.00 0.00 N ATOM 762 CZ ARG A 53 -12.372 7.900 1.006 1.00 0.00 C ATOM 763 NH1 ARG A 53 -13.258 6.915 0.972 1.00 0.00 N ATOM 764 NH2 ARG A 53 -12.629 8.994 1.710 1.00 0.00 N ATOM 0 H ARG A 53 -7.035 5.107 0.715 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.277 3.334 1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.762 5.207 -0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.926 3.905 -0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.374 4.837 0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.108 5.789 1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.034 6.877 -1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.705 6.351 -1.105 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.570 8.569 0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.064 6.073 0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.134 6.999 1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.950 9.754 1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.506 9.075 2.224 1.00 0.00 H new ATOM 778 N VAL A 54 -8.553 1.369 0.148 1.00 0.00 N ATOM 779 CA VAL A 54 -8.039 0.167 -0.498 1.00 0.00 C ATOM 780 C VAL A 54 -9.080 -0.444 -1.429 1.00 0.00 C ATOM 781 O VAL A 54 -10.282 -0.364 -1.172 1.00 0.00 O ATOM 782 CB VAL A 54 -7.613 -0.889 0.540 1.00 0.00 C ATOM 783 CG1 VAL A 54 -6.994 -2.095 -0.150 1.00 0.00 C ATOM 784 CG2 VAL A 54 -6.644 -0.285 1.545 1.00 0.00 C ATOM 0 H VAL A 54 -9.378 1.216 0.728 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.167 0.468 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.499 -1.223 1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.699 -2.831 0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.722 -2.539 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.117 -1.780 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.353 -1.044 2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.758 0.077 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.126 0.545 2.061 1.00 0.00 H new ATOM 794 N TYR A 55 -8.611 -1.055 -2.511 1.00 0.00 N ATOM 795 CA TYR A 55 -9.501 -1.678 -3.484 1.00 0.00 C ATOM 796 C TYR A 55 -9.041 -3.095 -3.814 1.00 0.00 C ATOM 797 O TYR A 55 -7.898 -3.310 -4.217 1.00 0.00 O ATOM 798 CB TYR A 55 -9.565 -0.840 -4.761 1.00 0.00 C ATOM 799 CG TYR A 55 -9.798 0.632 -4.508 1.00 0.00 C ATOM 800 CD1 TYR A 55 -8.740 1.481 -4.201 1.00 0.00 C ATOM 801 CD2 TYR A 55 -11.075 1.176 -4.575 1.00 0.00 C ATOM 802 CE1 TYR A 55 -8.947 2.826 -3.968 1.00 0.00 C ATOM 803 CE2 TYR A 55 -11.292 2.521 -4.345 1.00 0.00 C ATOM 804 CZ TYR A 55 -10.224 3.341 -4.041 1.00 0.00 C ATOM 805 OH TYR A 55 -10.436 4.682 -3.810 1.00 0.00 O ATOM 0 H TYR A 55 -7.619 -1.132 -2.737 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.497 -1.731 -3.044 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.633 -0.962 -5.313 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.364 -1.222 -5.396 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.738 1.081 -4.144 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.913 0.536 -4.811 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.114 3.471 -3.730 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -12.291 2.928 -4.403 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.391 4.883 -3.902 1.00 0.00 H new ATOM 815 N TYR A 56 -9.940 -4.056 -3.640 1.00 0.00 N ATOM 816 CA TYR A 56 -9.628 -5.454 -3.918 1.00 0.00 C ATOM 817 C TYR A 56 -10.878 -6.220 -4.337 1.00 0.00 C ATOM 818 O TYR A 56 -11.904 -6.180 -3.656 1.00 0.00 O ATOM 819 CB TYR A 56 -9.001 -6.113 -2.688 1.00 0.00 C ATOM 820 CG TYR A 56 -9.960 -6.271 -1.530 1.00 0.00 C ATOM 821 CD1 TYR A 56 -10.179 -5.230 -0.637 1.00 0.00 C ATOM 822 CD2 TYR A 56 -10.648 -7.462 -1.330 1.00 0.00 C ATOM 823 CE1 TYR A 56 -11.055 -5.370 0.422 1.00 0.00 C ATOM 824 CE2 TYR A 56 -11.527 -7.611 -0.275 1.00 0.00 C ATOM 825 CZ TYR A 56 -11.728 -6.563 0.598 1.00 0.00 C ATOM 826 OH TYR A 56 -12.600 -6.707 1.651 1.00 0.00 O ATOM 0 H TYR A 56 -10.891 -3.894 -3.308 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.914 -5.483 -4.741 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.618 -7.094 -2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.147 -5.518 -2.363 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.656 -4.295 -0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -10.493 -8.285 -2.011 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -11.213 -4.551 1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -12.054 -8.543 -0.135 1.00 0.00 H new ATOM 0 HH TYR A 56 -12.451 -5.987 2.300 1.00 0.00 H new ATOM 836 N THR A 57 -10.787 -6.920 -5.462 1.00 0.00 N ATOM 837 CA THR A 57 -11.909 -7.695 -5.975 1.00 0.00 C ATOM 838 C THR A 57 -11.442 -8.749 -6.971 1.00 0.00 C ATOM 839 O THR A 57 -10.320 -8.687 -7.474 1.00 0.00 O ATOM 840 CB THR A 57 -12.954 -6.790 -6.655 1.00 0.00 C ATOM 841 OG1 THR A 57 -14.140 -7.539 -6.941 1.00 0.00 O ATOM 842 CG2 THR A 57 -12.400 -6.195 -7.941 1.00 0.00 C ATOM 0 H THR A 57 -9.946 -6.966 -6.037 1.00 0.00 H new ATOM 0 HA THR A 57 -12.368 -8.188 -5.118 1.00 0.00 H new ATOM 0 HB THR A 57 -13.196 -5.976 -5.972 1.00 0.00 H new ATOM 0 HG1 THR A 57 -14.799 -6.956 -7.371 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.156 -5.560 -8.403 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.515 -5.600 -7.715 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.132 -6.998 -8.627 1.00 0.00 H new ATOM 850 N MET A 58 -12.308 -9.717 -7.254 1.00 0.00 N ATOM 851 CA MET A 58 -11.982 -10.783 -8.193 1.00 0.00 C ATOM 852 C MET A 58 -12.446 -10.426 -9.604 1.00 0.00 C ATOM 853 O MET A 58 -11.932 -10.956 -10.589 1.00 0.00 O ATOM 854 CB MET A 58 -12.628 -12.097 -7.750 1.00 0.00 C ATOM 855 CG MET A 58 -14.123 -11.986 -7.497 1.00 0.00 C ATOM 856 SD MET A 58 -14.922 -13.594 -7.348 1.00 0.00 S ATOM 857 CE MET A 58 -13.972 -14.323 -6.017 1.00 0.00 C ATOM 0 H MET A 58 -13.241 -9.785 -6.846 1.00 0.00 H new ATOM 0 HA MET A 58 -10.899 -10.904 -8.205 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.453 -12.854 -8.514 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.139 -12.444 -6.840 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.292 -11.415 -6.584 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.585 -11.429 -8.312 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.144 -15.399 -5.994 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.912 -14.129 -6.178 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.281 -13.886 -5.068 1.00 0.00 H new ATOM 867 N ASP A 59 -13.419 -9.527 -9.690 1.00 0.00 N ATOM 868 CA ASP A 59 -13.951 -9.099 -10.980 1.00 0.00 C ATOM 869 C ASP A 59 -13.601 -7.639 -11.254 1.00 0.00 C ATOM 870 O ASP A 59 -14.429 -6.739 -11.116 1.00 0.00 O ATOM 871 CB ASP A 59 -15.469 -9.288 -11.017 1.00 0.00 C ATOM 872 CG ASP A 59 -15.868 -10.647 -11.556 1.00 0.00 C ATOM 873 OD1 ASP A 59 -16.041 -10.770 -12.787 1.00 0.00 O ATOM 874 OD2 ASP A 59 -16.010 -11.589 -10.748 1.00 0.00 O ATOM 0 H ASP A 59 -13.856 -9.080 -8.884 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.497 -9.715 -11.756 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.872 -9.166 -10.012 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.915 -8.509 -11.636 1.00 0.00 H new ATOM 879 N PRO A 60 -12.343 -7.397 -11.655 1.00 0.00 N ATOM 880 CA PRO A 60 -11.855 -6.049 -11.957 1.00 0.00 C ATOM 881 C PRO A 60 -12.473 -5.480 -13.230 1.00 0.00 C ATOM 882 O PRO A 60 -12.293 -4.305 -13.549 1.00 0.00 O ATOM 883 CB PRO A 60 -10.348 -6.251 -12.138 1.00 0.00 C ATOM 884 CG PRO A 60 -10.203 -7.675 -12.546 1.00 0.00 C ATOM 885 CD PRO A 60 -11.302 -8.422 -11.843 1.00 0.00 C ATOM 0 HA PRO A 60 -12.113 -5.337 -11.173 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.947 -5.579 -12.897 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.807 -6.047 -11.214 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.289 -7.782 -13.627 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.225 -8.064 -12.264 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.665 -9.259 -12.440 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.965 -8.832 -10.891 1.00 0.00 H new ATOM 941 N VAL A 64 -13.954 0.624 -10.402 1.00 0.00 N ATOM 942 CA VAL A 64 -13.280 0.619 -9.109 1.00 0.00 C ATOM 943 C VAL A 64 -14.249 0.964 -7.984 1.00 0.00 C ATOM 944 O VAL A 64 -14.033 0.595 -6.831 1.00 0.00 O ATOM 945 CB VAL A 64 -12.106 1.614 -9.085 1.00 0.00 C ATOM 946 CG1 VAL A 64 -11.415 1.591 -7.729 1.00 0.00 C ATOM 947 CG2 VAL A 64 -11.119 1.301 -10.200 1.00 0.00 C ATOM 0 HA VAL A 64 -12.894 -0.389 -8.956 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.499 2.617 -9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.588 2.300 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.128 1.867 -6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.034 0.589 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.296 2.014 -10.168 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.730 0.291 -10.069 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.624 1.373 -11.163 1.00 0.00 H new ATOM 957 N ASN A 65 -15.318 1.675 -8.327 1.00 0.00 N ATOM 958 CA ASN A 65 -16.321 2.071 -7.345 1.00 0.00 C ATOM 959 C ASN A 65 -17.239 0.902 -7.005 1.00 0.00 C ATOM 960 O ASN A 65 -17.853 0.873 -5.938 1.00 0.00 O ATOM 961 CB ASN A 65 -17.147 3.246 -7.875 1.00 0.00 C ATOM 962 CG ASN A 65 -17.054 4.467 -6.981 1.00 0.00 C ATOM 963 OD1 ASN A 65 -17.001 4.352 -5.756 1.00 0.00 O ATOM 964 ND2 ASN A 65 -17.035 5.646 -7.590 1.00 0.00 N ATOM 0 H ASN A 65 -15.512 1.989 -9.278 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.803 2.380 -6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.804 3.505 -8.877 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.190 2.943 -7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.974 6.503 -7.040 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.081 5.695 -8.608 1.00 0.00 H new ATOM 971 N ASN A 66 -17.329 -0.059 -7.918 1.00 0.00 N ATOM 972 CA ASN A 66 -18.172 -1.231 -7.714 1.00 0.00 C ATOM 973 C ASN A 66 -17.421 -2.317 -6.951 1.00 0.00 C ATOM 974 O ASN A 66 -18.028 -3.175 -6.313 1.00 0.00 O ATOM 975 CB ASN A 66 -18.655 -1.779 -9.059 1.00 0.00 C ATOM 976 CG ASN A 66 -19.855 -2.693 -8.914 1.00 0.00 C ATOM 977 OD1 ASN A 66 -19.796 -3.874 -9.258 1.00 0.00 O ATOM 978 ND2 ASN A 66 -20.954 -2.149 -8.403 1.00 0.00 N ATOM 0 H ASN A 66 -16.828 -0.049 -8.807 1.00 0.00 H new ATOM 0 HA ASN A 66 -19.035 -0.927 -7.122 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -18.912 -0.948 -9.715 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.842 -2.324 -9.539 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -21.794 -2.715 -8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -20.958 -1.166 -8.132 1.00 0.00 H new ATOM 985 N TRP A 67 -16.095 -2.270 -7.021 1.00 0.00 N ATOM 986 CA TRP A 67 -15.259 -3.251 -6.337 1.00 0.00 C ATOM 987 C TRP A 67 -15.634 -3.351 -4.862 1.00 0.00 C ATOM 988 O TRP A 67 -16.417 -2.547 -4.355 1.00 0.00 O ATOM 989 CB TRP A 67 -13.783 -2.877 -6.476 1.00 0.00 C ATOM 990 CG TRP A 67 -13.257 -3.039 -7.870 1.00 0.00 C ATOM 991 CD1 TRP A 67 -13.993 -3.199 -9.009 1.00 0.00 C ATOM 992 CD2 TRP A 67 -11.882 -3.058 -8.271 1.00 0.00 C ATOM 993 NE1 TRP A 67 -13.158 -3.317 -10.095 1.00 0.00 N ATOM 994 CE2 TRP A 67 -11.859 -3.233 -9.669 1.00 0.00 C ATOM 995 CE3 TRP A 67 -10.671 -2.943 -7.587 1.00 0.00 C ATOM 996 CZ2 TRP A 67 -10.671 -3.295 -10.391 1.00 0.00 C ATOM 997 CZ3 TRP A 67 -9.491 -3.005 -8.305 1.00 0.00 C ATOM 998 CH2 TRP A 67 -9.499 -3.179 -9.695 1.00 0.00 C ATOM 0 H TRP A 67 -15.576 -1.564 -7.544 1.00 0.00 H new ATOM 0 HA TRP A 67 -15.426 -4.223 -6.802 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -13.647 -1.842 -6.162 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -13.194 -3.495 -5.799 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -15.072 -3.229 -9.051 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -13.457 -3.446 -11.061 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -10.656 -2.808 -6.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -10.674 -3.430 -11.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -8.548 -2.918 -7.786 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -8.561 -3.222 -10.228 1.00 0.00 H new ATOM 1009 N MET A 68 -15.072 -4.342 -4.178 1.00 0.00 N ATOM 1010 CA MET A 68 -15.347 -4.545 -2.761 1.00 0.00 C ATOM 1011 C MET A 68 -14.877 -3.350 -1.939 1.00 0.00 C ATOM 1012 O MET A 68 -15.617 -2.826 -1.106 1.00 0.00 O ATOM 1013 CB MET A 68 -14.665 -5.821 -2.265 1.00 0.00 C ATOM 1014 CG MET A 68 -15.619 -6.805 -1.608 1.00 0.00 C ATOM 1015 SD MET A 68 -14.866 -8.418 -1.321 1.00 0.00 S ATOM 1016 CE MET A 68 -14.875 -9.096 -2.979 1.00 0.00 C ATOM 0 H MET A 68 -14.423 -5.017 -4.583 1.00 0.00 H new ATOM 0 HA MET A 68 -16.425 -4.647 -2.637 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.173 -6.311 -3.106 1.00 0.00 H new ATOM 0 HB3 MET A 68 -13.885 -5.553 -1.552 1.00 0.00 H new ATOM 0 HG2 MET A 68 -15.961 -6.394 -0.658 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.500 -6.927 -2.238 1.00 0.00 H new ATOM 0 HE1 MET A 68 -15.051 -10.171 -2.932 1.00 0.00 H new ATOM 0 HE2 MET A 68 -15.666 -8.624 -3.561 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.913 -8.907 -3.455 1.00 0.00 H new ATOM 1026 N LYS A 69 -13.642 -2.922 -2.179 1.00 0.00 N ATOM 1027 CA LYS A 69 -13.073 -1.787 -1.462 1.00 0.00 C ATOM 1028 C LYS A 69 -12.933 -2.097 0.026 1.00 0.00 C ATOM 1029 O LYS A 69 -13.636 -2.956 0.560 1.00 0.00 O ATOM 1030 CB LYS A 69 -13.945 -0.545 -1.653 1.00 0.00 C ATOM 1031 CG LYS A 69 -14.335 -0.293 -3.100 1.00 0.00 C ATOM 1032 CD LYS A 69 -15.358 0.825 -3.215 1.00 0.00 C ATOM 1033 CE LYS A 69 -14.686 2.172 -3.441 1.00 0.00 C ATOM 1034 NZ LYS A 69 -15.419 3.277 -2.764 1.00 0.00 N ATOM 0 H LYS A 69 -13.016 -3.344 -2.865 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.081 -1.594 -1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.850 -0.651 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.411 0.326 -1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.447 -0.036 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.743 -1.207 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.039 0.614 -4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.959 0.865 -2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.662 2.134 -3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.630 2.375 -4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.930 4.178 -2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.389 3.330 -3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.451 3.096 -1.740 1.00 0.00 H new ATOM 1048 N HIS A 70 -12.021 -1.394 0.689 1.00 0.00 N ATOM 1049 CA HIS A 70 -11.791 -1.594 2.117 1.00 0.00 C ATOM 1050 C HIS A 70 -11.737 -0.257 2.850 1.00 0.00 C ATOM 1051 O HIS A 70 -11.976 0.796 2.260 1.00 0.00 O ATOM 1052 CB HIS A 70 -10.489 -2.364 2.340 1.00 0.00 C ATOM 1053 CG HIS A 70 -10.590 -3.412 3.406 1.00 0.00 C ATOM 1054 ND1 HIS A 70 -11.681 -4.245 3.543 1.00 0.00 N ATOM 1055 CD2 HIS A 70 -9.728 -3.761 4.389 1.00 0.00 C ATOM 1056 CE1 HIS A 70 -11.487 -5.058 4.564 1.00 0.00 C ATOM 1057 NE2 HIS A 70 -10.307 -4.787 5.094 1.00 0.00 N ATOM 0 H HIS A 70 -11.429 -0.681 0.262 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.622 -2.175 2.518 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.191 -2.836 1.404 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.701 -1.660 2.607 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.764 -3.315 4.583 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.175 -5.816 4.908 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.894 -5.263 5.896 1.00 0.00 H new ATOM 1065 N ASN A 71 -11.425 -0.309 4.140 1.00 0.00 N ATOM 1066 CA ASN A 71 -11.342 0.898 4.955 1.00 0.00 C ATOM 1067 C ASN A 71 -10.051 0.916 5.770 1.00 0.00 C ATOM 1068 O ASN A 71 -9.469 -0.129 6.055 1.00 0.00 O ATOM 1069 CB ASN A 71 -12.550 0.992 5.890 1.00 0.00 C ATOM 1070 CG ASN A 71 -13.605 1.953 5.377 1.00 0.00 C ATOM 1071 OD1 ASN A 71 -13.788 3.041 5.923 1.00 0.00 O ATOM 1072 ND2 ASN A 71 -14.306 1.552 4.322 1.00 0.00 N ATOM 0 H ASN A 71 -11.225 -1.173 4.644 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.341 1.759 4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.991 0.002 6.010 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.218 1.314 6.877 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.031 2.155 3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.120 0.641 3.902 1.00 0.00 H new ATOM 1079 N VAL A 72 -9.611 2.114 6.143 1.00 0.00 N ATOM 1080 CA VAL A 72 -8.391 2.270 6.926 1.00 0.00 C ATOM 1081 C VAL A 72 -8.499 3.453 7.882 1.00 0.00 C ATOM 1082 O VAL A 72 -9.162 4.446 7.583 1.00 0.00 O ATOM 1083 CB VAL A 72 -7.162 2.468 6.018 1.00 0.00 C ATOM 1084 CG1 VAL A 72 -5.888 2.510 6.846 1.00 0.00 C ATOM 1085 CG2 VAL A 72 -7.092 1.366 4.971 1.00 0.00 C ATOM 0 H VAL A 72 -10.081 2.990 5.916 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.264 1.352 7.501 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.262 3.423 5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.031 2.650 6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.941 3.337 7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.777 1.573 7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.218 1.521 4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.015 0.398 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.993 1.389 4.358 1.00 0.00 H new ATOM 1095 N ALA A 73 -7.842 3.340 9.031 1.00 0.00 N ATOM 1096 CA ALA A 73 -7.861 4.401 10.030 1.00 0.00 C ATOM 1097 C ALA A 73 -6.449 4.884 10.346 1.00 0.00 C ATOM 1098 O ALA A 73 -5.993 4.793 11.485 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.554 3.921 11.298 1.00 0.00 C ATOM 0 H ALA A 73 -7.289 2.524 9.293 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.421 5.242 9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.561 4.724 12.035 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.579 3.633 11.066 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.019 3.062 11.702 1.00 0.00 H new ATOM 1105 N ASP A 74 -5.763 5.397 9.329 1.00 0.00 N ATOM 1106 CA ASP A 74 -4.403 5.894 9.500 1.00 0.00 C ATOM 1107 C ASP A 74 -3.523 4.849 10.179 1.00 0.00 C ATOM 1108 O ASP A 74 -2.893 5.122 11.200 1.00 0.00 O ATOM 1109 CB ASP A 74 -4.408 7.185 10.320 1.00 0.00 C ATOM 1110 CG ASP A 74 -3.130 7.983 10.153 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -2.535 7.926 9.055 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -2.724 8.663 11.118 1.00 0.00 O ATOM 0 H ASP A 74 -6.126 5.479 8.379 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.992 6.102 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.258 7.799 10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.546 6.942 11.374 1.00 0.00 H new ATOM 1117 N SER A 75 -3.486 3.651 9.603 1.00 0.00 N ATOM 1118 CA SER A 75 -2.686 2.563 10.155 1.00 0.00 C ATOM 1119 C SER A 75 -1.592 2.143 9.179 1.00 0.00 C ATOM 1120 O SER A 75 -0.636 1.467 9.556 1.00 0.00 O ATOM 1121 CB SER A 75 -3.578 1.364 10.486 1.00 0.00 C ATOM 1122 OG SER A 75 -3.664 1.165 11.887 1.00 0.00 O ATOM 0 H SER A 75 -4.000 3.409 8.756 1.00 0.00 H new ATOM 0 HA SER A 75 -2.214 2.920 11.070 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.575 1.524 10.076 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.179 0.467 10.012 1.00 0.00 H new ATOM 0 HG SER A 75 -4.240 0.395 12.073 1.00 0.00 H new ATOM 1128 N GLN A 76 -1.741 2.551 7.922 1.00 0.00 N ATOM 1129 CA GLN A 76 -0.767 2.216 6.890 1.00 0.00 C ATOM 1130 C GLN A 76 -0.652 0.705 6.719 1.00 0.00 C ATOM 1131 O GLN A 76 0.332 0.206 6.172 1.00 0.00 O ATOM 1132 CB GLN A 76 0.599 2.808 7.239 1.00 0.00 C ATOM 1133 CG GLN A 76 0.821 4.201 6.674 1.00 0.00 C ATOM 1134 CD GLN A 76 1.785 5.023 7.509 1.00 0.00 C ATOM 1135 OE1 GLN A 76 1.372 5.775 8.392 1.00 0.00 O ATOM 1136 NE2 GLN A 76 3.076 4.885 7.232 1.00 0.00 N ATOM 0 H GLN A 76 -2.526 3.113 7.594 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.111 2.643 5.948 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.704 2.844 8.323 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.379 2.145 6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.205 4.120 5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.135 4.721 6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.374 4.250 6.491 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.770 5.414 7.760 1.00 0.00 H new ATOM 1145 N ILE A 77 -1.661 -0.017 7.192 1.00 0.00 N ATOM 1146 CA ILE A 77 -1.674 -1.471 7.090 1.00 0.00 C ATOM 1147 C ILE A 77 -3.061 -2.032 7.384 1.00 0.00 C ATOM 1148 O ILE A 77 -3.744 -1.580 8.304 1.00 0.00 O ATOM 1149 CB ILE A 77 -0.658 -2.110 8.056 1.00 0.00 C ATOM 1150 CG1 ILE A 77 -0.524 -3.608 7.772 1.00 0.00 C ATOM 1151 CG2 ILE A 77 -1.080 -1.876 9.499 1.00 0.00 C ATOM 1152 CD1 ILE A 77 0.721 -4.228 8.367 1.00 0.00 C ATOM 0 H ILE A 77 -2.481 0.381 7.650 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.396 -1.718 6.065 1.00 0.00 H new ATOM 0 HB ILE A 77 0.313 -1.641 7.901 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.400 -4.124 8.165 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.519 -3.766 6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.352 -2.333 10.170 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.130 -0.805 9.694 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.060 -2.322 9.668 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.749 -5.291 8.126 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.604 -3.739 7.955 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.708 -4.102 9.450 1.00 0.00 H new ATOM 1164 N THR A 78 -3.472 -3.021 6.598 1.00 0.00 N ATOM 1165 CA THR A 78 -4.778 -3.645 6.772 1.00 0.00 C ATOM 1166 C THR A 78 -4.739 -5.119 6.386 1.00 0.00 C ATOM 1167 O THR A 78 -3.876 -5.550 5.621 1.00 0.00 O ATOM 1168 CB THR A 78 -5.857 -2.934 5.934 1.00 0.00 C ATOM 1169 OG1 THR A 78 -7.154 -3.433 6.281 1.00 0.00 O ATOM 1170 CG2 THR A 78 -5.609 -3.141 4.447 1.00 0.00 C ATOM 0 H THR A 78 -2.919 -3.408 5.833 1.00 0.00 H new ATOM 0 HA THR A 78 -5.032 -3.556 7.828 1.00 0.00 H new ATOM 0 HB THR A 78 -5.810 -1.867 6.149 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.794 -2.691 6.308 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.383 -2.630 3.874 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.633 -2.735 4.181 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.633 -4.207 4.219 1.00 0.00 H new ATOM 1178 N THR A 79 -5.680 -5.891 6.920 1.00 0.00 N ATOM 1179 CA THR A 79 -5.754 -7.318 6.631 1.00 0.00 C ATOM 1180 C THR A 79 -7.116 -7.694 6.058 1.00 0.00 C ATOM 1181 O THR A 79 -8.152 -7.255 6.558 1.00 0.00 O ATOM 1182 CB THR A 79 -5.490 -8.160 7.893 1.00 0.00 C ATOM 1183 OG1 THR A 79 -6.204 -7.613 9.007 1.00 0.00 O ATOM 1184 CG2 THR A 79 -4.003 -8.208 8.211 1.00 0.00 C ATOM 0 H THR A 79 -6.402 -5.552 7.555 1.00 0.00 H new ATOM 0 HA THR A 79 -4.982 -7.531 5.892 1.00 0.00 H new ATOM 0 HB THR A 79 -5.838 -9.175 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.032 -8.156 9.805 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.842 -8.808 9.106 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.466 -8.654 7.374 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.634 -7.196 8.381 1.00 0.00 H new ATOM 1192 N ILE A 80 -7.107 -8.509 5.010 1.00 0.00 N ATOM 1193 CA ILE A 80 -8.343 -8.944 4.371 1.00 0.00 C ATOM 1194 C ILE A 80 -8.495 -10.460 4.445 1.00 0.00 C ATOM 1195 O ILE A 80 -7.516 -11.197 4.354 1.00 0.00 O ATOM 1196 CB ILE A 80 -8.399 -8.507 2.895 1.00 0.00 C ATOM 1197 CG1 ILE A 80 -8.289 -6.984 2.788 1.00 0.00 C ATOM 1198 CG2 ILE A 80 -9.684 -8.998 2.245 1.00 0.00 C ATOM 1199 CD1 ILE A 80 -7.877 -6.502 1.414 1.00 0.00 C ATOM 0 H ILE A 80 -6.258 -8.882 4.585 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.162 -8.471 4.913 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.556 -8.952 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.250 -6.540 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.565 -6.628 3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.708 -8.681 1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.724 -10.086 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.541 -8.579 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.819 -5.414 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.902 -6.917 1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.613 -6.828 0.678 1.00 0.00 H new ATOM 1211 N GLY A 81 -9.732 -10.917 4.611 1.00 0.00 N ATOM 1212 CA GLY A 81 -9.992 -12.343 4.694 1.00 0.00 C ATOM 1213 C GLY A 81 -11.296 -12.734 4.028 1.00 0.00 C ATOM 1214 O GLY A 81 -11.904 -11.933 3.320 1.00 0.00 O ATOM 0 H GLY A 81 -10.559 -10.325 4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.171 -12.887 4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.018 -12.644 5.741 1.00 0.00 H new ATOM 1218 N ASN A 82 -11.726 -13.973 4.254 1.00 0.00 N ATOM 1219 CA ASN A 82 -12.964 -14.469 3.668 1.00 0.00 C ATOM 1220 C ASN A 82 -12.872 -14.502 2.146 1.00 0.00 C ATOM 1221 O ASN A 82 -13.834 -14.179 1.448 1.00 0.00 O ATOM 1222 CB ASN A 82 -14.144 -13.596 4.101 1.00 0.00 C ATOM 1223 CG ASN A 82 -15.483 -14.251 3.818 1.00 0.00 C ATOM 1224 OD1 ASN A 82 -15.879 -15.197 4.500 1.00 0.00 O ATOM 1225 ND2 ASN A 82 -16.187 -13.748 2.811 1.00 0.00 N ATOM 0 H ASN A 82 -11.235 -14.650 4.838 1.00 0.00 H new ATOM 0 HA ASN A 82 -13.123 -15.486 4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -14.064 -13.385 5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.094 -12.639 3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.096 -14.146 2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.819 -12.963 2.273 1.00 0.00 H new ATOM 1232 N LEU A 83 -11.709 -14.895 1.637 1.00 0.00 N ATOM 1233 CA LEU A 83 -11.491 -14.971 0.196 1.00 0.00 C ATOM 1234 C LEU A 83 -11.465 -16.421 -0.275 1.00 0.00 C ATOM 1235 O LEU A 83 -11.774 -17.338 0.487 1.00 0.00 O ATOM 1236 CB LEU A 83 -10.179 -14.278 -0.177 1.00 0.00 C ATOM 1237 CG LEU A 83 -9.956 -12.893 0.433 1.00 0.00 C ATOM 1238 CD1 LEU A 83 -8.482 -12.517 0.375 1.00 0.00 C ATOM 1239 CD2 LEU A 83 -10.802 -11.851 -0.285 1.00 0.00 C ATOM 0 H LEU A 83 -10.903 -15.166 2.200 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.318 -14.463 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.353 -14.923 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.135 -14.187 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.263 -12.923 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.341 -11.529 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.898 -13.248 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.150 -12.504 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.630 -10.872 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.526 -11.822 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.856 -12.112 -0.193 1.00 0.00 H new ATOM 1251 N VAL A 84 -11.093 -16.622 -1.535 1.00 0.00 N ATOM 1252 CA VAL A 84 -11.023 -17.961 -2.107 1.00 0.00 C ATOM 1253 C VAL A 84 -9.604 -18.294 -2.554 1.00 0.00 C ATOM 1254 O VAL A 84 -8.932 -17.502 -3.214 1.00 0.00 O ATOM 1255 CB VAL A 84 -11.975 -18.108 -3.309 1.00 0.00 C ATOM 1256 CG1 VAL A 84 -11.652 -17.073 -4.377 1.00 0.00 C ATOM 1257 CG2 VAL A 84 -11.899 -19.516 -3.879 1.00 0.00 C ATOM 0 H VAL A 84 -10.835 -15.874 -2.179 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.327 -18.656 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.995 -17.934 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.335 -17.193 -5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.763 -16.072 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.627 -17.212 -4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.578 -19.602 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.880 -19.721 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -12.185 -20.235 -3.111 1.00 0.00 H new ATOM 1267 N PRO A 85 -9.135 -19.496 -2.184 1.00 0.00 N ATOM 1268 CA PRO A 85 -7.791 -19.962 -2.537 1.00 0.00 C ATOM 1269 C PRO A 85 -7.651 -20.256 -4.026 1.00 0.00 C ATOM 1270 O PRO A 85 -8.637 -20.529 -4.709 1.00 0.00 O ATOM 1271 CB PRO A 85 -7.638 -21.249 -1.721 1.00 0.00 C ATOM 1272 CG PRO A 85 -9.032 -21.727 -1.502 1.00 0.00 C ATOM 1273 CD PRO A 85 -9.881 -20.491 -1.396 1.00 0.00 C ATOM 0 HA PRO A 85 -7.030 -19.211 -2.324 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.045 -21.990 -2.258 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.131 -21.060 -0.775 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.362 -22.358 -2.327 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -9.101 -22.327 -0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.881 -20.655 -1.798 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.002 -20.174 -0.360 1.00 0.00 H new ATOM 1281 N GLN A 86 -6.420 -20.196 -4.524 1.00 0.00 N ATOM 1282 CA GLN A 86 -6.152 -20.457 -5.933 1.00 0.00 C ATOM 1283 C GLN A 86 -6.956 -19.512 -6.823 1.00 0.00 C ATOM 1284 O GLN A 86 -7.653 -19.950 -7.739 1.00 0.00 O ATOM 1285 CB GLN A 86 -6.486 -21.908 -6.278 1.00 0.00 C ATOM 1286 CG GLN A 86 -5.392 -22.892 -5.893 1.00 0.00 C ATOM 1287 CD GLN A 86 -5.405 -24.143 -6.749 1.00 0.00 C ATOM 1288 OE1 GLN A 86 -4.793 -24.183 -7.818 1.00 0.00 O ATOM 1289 NE2 GLN A 86 -6.100 -25.174 -6.283 1.00 0.00 N ATOM 0 H GLN A 86 -5.593 -19.969 -3.972 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.091 -20.284 -6.113 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.410 -22.189 -5.773 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.672 -21.985 -7.349 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.421 -22.404 -5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.512 -23.171 -4.846 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.592 -25.097 -5.393 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.142 -26.043 -6.815 1.00 0.00 H new ATOM 1298 N LYS A 87 -6.854 -18.218 -6.546 1.00 0.00 N ATOM 1299 CA LYS A 87 -7.569 -17.211 -7.321 1.00 0.00 C ATOM 1300 C LYS A 87 -6.841 -15.871 -7.277 1.00 0.00 C ATOM 1301 O LYS A 87 -6.532 -15.354 -6.203 1.00 0.00 O ATOM 1302 CB LYS A 87 -8.994 -17.045 -6.788 1.00 0.00 C ATOM 1303 CG LYS A 87 -9.893 -18.235 -7.076 1.00 0.00 C ATOM 1304 CD LYS A 87 -10.025 -18.487 -8.569 1.00 0.00 C ATOM 1305 CE LYS A 87 -11.477 -18.410 -9.019 1.00 0.00 C ATOM 1306 NZ LYS A 87 -11.590 -18.217 -10.491 1.00 0.00 N ATOM 0 H LYS A 87 -6.283 -17.841 -5.790 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.611 -17.549 -8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.954 -16.883 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.436 -16.151 -7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.489 -19.123 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.880 -18.059 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.433 -17.754 -9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.619 -19.469 -8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.996 -19.325 -8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.974 -17.587 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.594 -18.169 -10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.117 -17.331 -10.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.138 -19.015 -10.981 1.00 0.00 H new ATOM 1320 N THR A 88 -6.568 -15.312 -8.453 1.00 0.00 N ATOM 1321 CA THR A 88 -5.877 -14.033 -8.548 1.00 0.00 C ATOM 1322 C THR A 88 -6.736 -12.900 -7.998 1.00 0.00 C ATOM 1323 O THR A 88 -7.924 -12.803 -8.306 1.00 0.00 O ATOM 1324 CB THR A 88 -5.493 -13.709 -10.005 1.00 0.00 C ATOM 1325 OG1 THR A 88 -4.634 -14.732 -10.524 1.00 0.00 O ATOM 1326 CG2 THR A 88 -4.797 -12.361 -10.094 1.00 0.00 C ATOM 0 H THR A 88 -6.815 -15.726 -9.352 1.00 0.00 H new ATOM 0 HA THR A 88 -4.970 -14.120 -7.950 1.00 0.00 H new ATOM 0 HB THR A 88 -6.407 -13.667 -10.598 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.396 -14.520 -11.451 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.536 -12.154 -11.132 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.464 -11.582 -9.726 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.891 -12.379 -9.488 1.00 0.00 H new ATOM 1334 N TYR A 89 -6.128 -12.046 -7.181 1.00 0.00 N ATOM 1335 CA TYR A 89 -6.838 -10.922 -6.585 1.00 0.00 C ATOM 1336 C TYR A 89 -6.021 -9.639 -6.701 1.00 0.00 C ATOM 1337 O TYR A 89 -4.821 -9.627 -6.426 1.00 0.00 O ATOM 1338 CB TYR A 89 -7.151 -11.208 -5.116 1.00 0.00 C ATOM 1339 CG TYR A 89 -8.597 -11.574 -4.865 1.00 0.00 C ATOM 1340 CD1 TYR A 89 -9.587 -10.598 -4.849 1.00 0.00 C ATOM 1341 CD2 TYR A 89 -8.973 -12.893 -4.644 1.00 0.00 C ATOM 1342 CE1 TYR A 89 -10.909 -10.927 -4.619 1.00 0.00 C ATOM 1343 CE2 TYR A 89 -10.294 -13.230 -4.415 1.00 0.00 C ATOM 1344 CZ TYR A 89 -11.258 -12.244 -4.404 1.00 0.00 C ATOM 1345 OH TYR A 89 -12.573 -12.575 -4.175 1.00 0.00 O ATOM 0 H TYR A 89 -5.145 -12.112 -6.917 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.773 -10.788 -7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.514 -12.021 -4.769 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.899 -10.330 -4.522 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.318 -9.566 -5.019 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.221 -13.668 -4.651 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.666 -10.156 -4.608 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.570 -14.260 -4.246 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.156 -11.940 -4.641 1.00 0.00 H new ATOM 1355 N SER A 90 -6.681 -8.560 -7.110 1.00 0.00 N ATOM 1356 CA SER A 90 -6.016 -7.271 -7.266 1.00 0.00 C ATOM 1357 C SER A 90 -6.029 -6.492 -5.954 1.00 0.00 C ATOM 1358 O SER A 90 -6.849 -6.749 -5.072 1.00 0.00 O ATOM 1359 CB SER A 90 -6.696 -6.452 -8.366 1.00 0.00 C ATOM 1360 OG SER A 90 -6.021 -5.225 -8.578 1.00 0.00 O ATOM 0 H SER A 90 -7.675 -8.553 -7.339 1.00 0.00 H new ATOM 0 HA SER A 90 -4.980 -7.456 -7.549 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.714 -7.026 -9.293 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.733 -6.258 -8.091 1.00 0.00 H new ATOM 0 HG SER A 90 -6.473 -4.721 -9.286 1.00 0.00 H new ATOM 1366 N VAL A 91 -5.113 -5.536 -5.833 1.00 0.00 N ATOM 1367 CA VAL A 91 -5.018 -4.717 -4.630 1.00 0.00 C ATOM 1368 C VAL A 91 -4.482 -3.326 -4.953 1.00 0.00 C ATOM 1369 O VAL A 91 -3.445 -3.183 -5.600 1.00 0.00 O ATOM 1370 CB VAL A 91 -4.107 -5.373 -3.575 1.00 0.00 C ATOM 1371 CG1 VAL A 91 -3.991 -4.486 -2.345 1.00 0.00 C ATOM 1372 CG2 VAL A 91 -4.634 -6.749 -3.200 1.00 0.00 C ATOM 0 H VAL A 91 -4.427 -5.310 -6.553 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.027 -4.630 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.112 -5.493 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.344 -4.965 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.566 -3.523 -2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.980 -4.333 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.979 -7.199 -2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.640 -6.654 -2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.662 -7.382 -4.087 1.00 0.00 H new ATOM 1382 N LYS A 92 -5.196 -2.302 -4.497 1.00 0.00 N ATOM 1383 CA LYS A 92 -4.793 -0.921 -4.735 1.00 0.00 C ATOM 1384 C LYS A 92 -4.838 -0.111 -3.442 1.00 0.00 C ATOM 1385 O LYS A 92 -5.614 -0.412 -2.536 1.00 0.00 O ATOM 1386 CB LYS A 92 -5.702 -0.277 -5.784 1.00 0.00 C ATOM 1387 CG LYS A 92 -5.587 -0.912 -7.160 1.00 0.00 C ATOM 1388 CD LYS A 92 -6.513 -0.242 -8.162 1.00 0.00 C ATOM 1389 CE LYS A 92 -5.796 0.859 -8.930 1.00 0.00 C ATOM 1390 NZ LYS A 92 -6.672 1.467 -9.971 1.00 0.00 N ATOM 0 H LYS A 92 -6.057 -2.403 -3.960 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.768 -0.926 -5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.736 -0.344 -5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.460 0.783 -5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.557 -0.840 -7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.828 -1.973 -7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.895 -0.986 -8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.374 0.177 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.467 1.632 -8.235 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.901 0.451 -9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.149 2.213 -10.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.966 0.735 -10.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.514 1.879 -9.519 1.00 0.00 H new ATOM 1404 N VAL A 93 -4.001 0.918 -3.367 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.946 1.775 -2.187 1.00 0.00 C ATOM 1406 C VAL A 93 -3.727 3.231 -2.575 1.00 0.00 C ATOM 1407 O VAL A 93 -3.021 3.531 -3.538 1.00 0.00 O ATOM 1408 CB VAL A 93 -2.825 1.336 -1.228 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -2.921 2.093 0.089 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -2.882 -0.167 -0.992 1.00 0.00 C ATOM 0 H VAL A 93 -3.351 1.179 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.906 1.679 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.866 1.573 -1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.120 1.769 0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.827 3.163 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.885 1.890 0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.082 -0.459 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.845 -0.430 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.760 -0.689 -1.941 1.00 0.00 H new ATOM 1420 N LEU A 94 -4.336 4.138 -1.818 1.00 0.00 N ATOM 1421 CA LEU A 94 -4.207 5.566 -2.082 1.00 0.00 C ATOM 1422 C LEU A 94 -4.256 6.367 -0.783 1.00 0.00 C ATOM 1423 O LEU A 94 -4.620 5.841 0.268 1.00 0.00 O ATOM 1424 CB LEU A 94 -5.317 6.033 -3.024 1.00 0.00 C ATOM 1425 CG LEU A 94 -6.661 6.357 -2.371 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -6.722 7.823 -1.970 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -7.808 6.011 -3.310 1.00 0.00 C ATOM 0 H LEU A 94 -4.924 3.909 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.241 5.737 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.969 6.921 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.478 5.259 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.760 5.751 -1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.686 8.034 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.924 8.040 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.600 8.448 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.757 6.248 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.713 6.589 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.777 4.947 -3.546 1.00 0.00 H new ATOM 1439 N ALA A 95 -3.889 7.641 -0.866 1.00 0.00 N ATOM 1440 CA ALA A 95 -3.896 8.515 0.301 1.00 0.00 C ATOM 1441 C ALA A 95 -4.919 9.635 0.142 1.00 0.00 C ATOM 1442 O ALA A 95 -5.023 10.248 -0.920 1.00 0.00 O ATOM 1443 CB ALA A 95 -2.509 9.093 0.535 1.00 0.00 C ATOM 0 H ALA A 95 -3.583 8.091 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.180 7.920 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.529 9.744 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.800 8.282 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.202 9.668 -0.339 1.00 0.00 H new ATOM 1449 N PHE A 96 -5.673 9.897 1.206 1.00 0.00 N ATOM 1450 CA PHE A 96 -6.689 10.943 1.184 1.00 0.00 C ATOM 1451 C PHE A 96 -6.731 11.687 2.515 1.00 0.00 C ATOM 1452 O PHE A 96 -6.475 11.110 3.572 1.00 0.00 O ATOM 1453 CB PHE A 96 -8.062 10.341 0.878 1.00 0.00 C ATOM 1454 CG PHE A 96 -8.668 9.608 2.040 1.00 0.00 C ATOM 1455 CD1 PHE A 96 -9.453 10.277 2.966 1.00 0.00 C ATOM 1456 CD2 PHE A 96 -8.452 8.250 2.209 1.00 0.00 C ATOM 1457 CE1 PHE A 96 -10.012 9.605 4.037 1.00 0.00 C ATOM 1458 CE2 PHE A 96 -9.008 7.572 3.278 1.00 0.00 C ATOM 1459 CZ PHE A 96 -9.790 8.250 4.192 1.00 0.00 C ATOM 0 H PHE A 96 -5.599 9.399 2.093 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.429 11.654 0.400 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.738 11.138 0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.970 9.656 0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.630 11.336 2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.842 7.714 1.497 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.621 10.138 4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.831 6.513 3.398 1.00 0.00 H new ATOM 0 HZ PHE A 96 -10.227 7.722 5.027 1.00 0.00 H new ATOM 1469 N THR A 97 -7.057 12.975 2.456 1.00 0.00 N ATOM 1470 CA THR A 97 -7.132 13.801 3.654 1.00 0.00 C ATOM 1471 C THR A 97 -8.473 14.520 3.743 1.00 0.00 C ATOM 1472 O THR A 97 -9.317 14.390 2.857 1.00 0.00 O ATOM 1473 CB THR A 97 -5.999 14.843 3.690 1.00 0.00 C ATOM 1474 OG1 THR A 97 -6.138 15.754 2.592 1.00 0.00 O ATOM 1475 CG2 THR A 97 -4.638 14.168 3.625 1.00 0.00 C ATOM 0 H THR A 97 -7.273 13.468 1.590 1.00 0.00 H new ATOM 0 HA THR A 97 -7.025 13.131 4.507 1.00 0.00 H new ATOM 0 HB THR A 97 -6.069 15.391 4.630 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.640 16.576 2.784 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.855 14.925 3.652 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.524 13.497 4.476 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.559 13.597 2.700 1.00 0.00 H new ATOM 1483 N SER A 98 -8.662 15.279 4.818 1.00 0.00 N ATOM 1484 CA SER A 98 -9.903 16.016 5.024 1.00 0.00 C ATOM 1485 C SER A 98 -10.183 16.947 3.848 1.00 0.00 C ATOM 1486 O SER A 98 -11.333 17.291 3.575 1.00 0.00 O ATOM 1487 CB SER A 98 -9.831 16.825 6.322 1.00 0.00 C ATOM 1488 OG SER A 98 -11.056 16.759 7.031 1.00 0.00 O ATOM 0 H SER A 98 -7.972 15.399 5.559 1.00 0.00 H new ATOM 0 HA SER A 98 -10.717 15.295 5.097 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.024 16.444 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.594 17.864 6.094 1.00 0.00 H new ATOM 0 HG SER A 98 -10.985 17.282 7.857 1.00 0.00 H new ATOM 1494 N ILE A 99 -9.123 17.350 3.155 1.00 0.00 N ATOM 1495 CA ILE A 99 -9.254 18.239 2.008 1.00 0.00 C ATOM 1496 C ILE A 99 -9.894 17.520 0.825 1.00 0.00 C ATOM 1497 O ILE A 99 -10.933 17.941 0.317 1.00 0.00 O ATOM 1498 CB ILE A 99 -7.889 18.804 1.574 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -7.132 19.356 2.783 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -8.073 19.885 0.519 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -7.815 20.539 3.434 1.00 0.00 C ATOM 0 H ILE A 99 -8.164 17.075 3.368 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.896 19.063 2.320 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.301 17.996 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.015 18.563 3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.130 19.651 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.099 20.274 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.575 19.462 -0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.678 20.694 0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.223 20.878 4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.908 21.349 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.806 20.243 3.777 1.00 0.00 H new ATOM 1513 N GLY A 100 -9.267 16.432 0.391 1.00 0.00 N ATOM 1514 CA GLY A 100 -9.789 15.669 -0.727 1.00 0.00 C ATOM 1515 C GLY A 100 -9.189 14.280 -0.814 1.00 0.00 C ATOM 1516 O GLY A 100 -8.922 13.647 0.207 1.00 0.00 O ATOM 0 H GLY A 100 -8.405 16.065 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.872 15.588 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.589 16.206 -1.654 1.00 0.00 H new ATOM 1520 N ASP A 101 -8.977 13.805 -2.036 1.00 0.00 N ATOM 1521 CA ASP A 101 -8.406 12.481 -2.252 1.00 0.00 C ATOM 1522 C ASP A 101 -7.137 12.568 -3.096 1.00 0.00 C ATOM 1523 O ASP A 101 -6.939 13.529 -3.838 1.00 0.00 O ATOM 1524 CB ASP A 101 -9.425 11.566 -2.933 1.00 0.00 C ATOM 1525 CG ASP A 101 -10.292 12.307 -3.931 1.00 0.00 C ATOM 1526 OD1 ASP A 101 -9.860 12.461 -5.093 1.00 0.00 O ATOM 1527 OD2 ASP A 101 -11.402 12.735 -3.552 1.00 0.00 O ATOM 0 H ASP A 101 -9.192 14.317 -2.892 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.147 12.061 -1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.900 10.758 -3.442 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.060 11.107 -2.175 1.00 0.00 H new ATOM 1532 N GLY A 102 -6.283 11.557 -2.978 1.00 0.00 N ATOM 1533 CA GLY A 102 -5.044 11.539 -3.736 1.00 0.00 C ATOM 1534 C GLY A 102 -5.032 10.461 -4.801 1.00 0.00 C ATOM 1535 O GLY A 102 -5.980 9.689 -4.944 1.00 0.00 O ATOM 0 H GLY A 102 -6.426 10.750 -2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.895 12.511 -4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.207 11.382 -3.055 1.00 0.00 H new ATOM 1539 N PRO A 103 -3.936 10.400 -5.573 1.00 0.00 N ATOM 1540 CA PRO A 103 -3.779 9.414 -6.646 1.00 0.00 C ATOM 1541 C PRO A 103 -3.599 7.998 -6.109 1.00 0.00 C ATOM 1542 O PRO A 103 -3.180 7.804 -4.967 1.00 0.00 O ATOM 1543 CB PRO A 103 -2.511 9.875 -7.369 1.00 0.00 C ATOM 1544 CG PRO A 103 -1.743 10.633 -6.341 1.00 0.00 C ATOM 1545 CD PRO A 103 -2.769 11.289 -5.458 1.00 0.00 C ATOM 0 HA PRO A 103 -4.659 9.366 -7.288 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -1.939 9.027 -7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -2.751 10.503 -8.227 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.100 9.968 -5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.096 11.377 -6.807 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.422 11.366 -4.427 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.000 12.300 -5.793 1.00 0.00 H new ATOM 1553 N LEU A 104 -3.918 7.010 -6.938 1.00 0.00 N ATOM 1554 CA LEU A 104 -3.790 5.610 -6.547 1.00 0.00 C ATOM 1555 C LEU A 104 -2.375 5.101 -6.799 1.00 0.00 C ATOM 1556 O LEU A 104 -1.542 5.809 -7.366 1.00 0.00 O ATOM 1557 CB LEU A 104 -4.798 4.753 -7.314 1.00 0.00 C ATOM 1558 CG LEU A 104 -6.273 5.017 -7.013 1.00 0.00 C ATOM 1559 CD1 LEU A 104 -7.074 5.110 -8.302 1.00 0.00 C ATOM 1560 CD2 LEU A 104 -6.837 3.931 -6.109 1.00 0.00 C ATOM 0 H LEU A 104 -4.267 7.152 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.997 5.536 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.634 4.903 -8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.587 3.705 -7.103 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.351 5.971 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.122 5.298 -8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.687 5.926 -8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.988 4.173 -8.852 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.888 4.136 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.745 2.963 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.283 3.914 -5.171 1.00 0.00 H new ATOM 1572 N SER A 105 -2.111 3.869 -6.377 1.00 0.00 N ATOM 1573 CA SER A 105 -0.796 3.264 -6.557 1.00 0.00 C ATOM 1574 C SER A 105 -0.828 2.211 -7.660 1.00 0.00 C ATOM 1575 O SER A 105 -1.897 1.789 -8.099 1.00 0.00 O ATOM 1576 CB SER A 105 -0.319 2.633 -5.248 1.00 0.00 C ATOM 1577 OG SER A 105 0.009 1.267 -5.430 1.00 0.00 O ATOM 0 H SER A 105 -2.790 3.270 -5.908 1.00 0.00 H new ATOM 0 HA SER A 105 -0.099 4.049 -6.849 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.552 3.173 -4.877 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.098 2.725 -4.491 1.00 0.00 H new ATOM 0 HG SER A 105 -0.300 0.751 -4.656 1.00 0.00 H new ATOM 1583 N SER A 106 0.354 1.793 -8.103 1.00 0.00 N ATOM 1584 CA SER A 106 0.464 0.792 -9.158 1.00 0.00 C ATOM 1585 C SER A 106 -0.373 -0.440 -8.827 1.00 0.00 C ATOM 1586 O SER A 106 -0.107 -1.139 -7.849 1.00 0.00 O ATOM 1587 CB SER A 106 1.926 0.390 -9.360 1.00 0.00 C ATOM 1588 OG SER A 106 2.724 0.808 -8.267 1.00 0.00 O ATOM 0 H SER A 106 1.248 2.132 -7.748 1.00 0.00 H new ATOM 0 HA SER A 106 0.085 1.231 -10.081 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.997 -0.692 -9.474 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.304 0.833 -10.281 1.00 0.00 H new ATOM 0 HG SER A 106 3.654 0.538 -8.419 1.00 0.00 H new ATOM 1594 N ASP A 107 -1.385 -0.700 -9.648 1.00 0.00 N ATOM 1595 CA ASP A 107 -2.259 -1.849 -9.445 1.00 0.00 C ATOM 1596 C ASP A 107 -1.447 -3.130 -9.292 1.00 0.00 C ATOM 1597 O ASP A 107 -0.859 -3.623 -10.254 1.00 0.00 O ATOM 1598 CB ASP A 107 -3.237 -1.986 -10.613 1.00 0.00 C ATOM 1599 CG ASP A 107 -2.538 -1.955 -11.958 1.00 0.00 C ATOM 1600 OD1 ASP A 107 -2.177 -0.851 -12.414 1.00 0.00 O ATOM 1601 OD2 ASP A 107 -2.354 -3.037 -12.556 1.00 0.00 O ATOM 0 H ASP A 107 -1.620 -0.130 -10.461 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.823 -1.687 -8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.788 -2.921 -10.514 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.968 -1.179 -10.568 1.00 0.00 H new ATOM 1606 N ILE A 108 -1.419 -3.665 -8.076 1.00 0.00 N ATOM 1607 CA ILE A 108 -0.678 -4.890 -7.797 1.00 0.00 C ATOM 1608 C ILE A 108 -1.616 -6.088 -7.695 1.00 0.00 C ATOM 1609 O ILE A 108 -2.815 -5.932 -7.467 1.00 0.00 O ATOM 1610 CB ILE A 108 0.130 -4.774 -6.492 1.00 0.00 C ATOM 1611 CG1 ILE A 108 -0.773 -4.318 -5.344 1.00 0.00 C ATOM 1612 CG2 ILE A 108 1.293 -3.809 -6.673 1.00 0.00 C ATOM 1613 CD1 ILE A 108 -0.073 -4.274 -4.004 1.00 0.00 C ATOM 0 H ILE A 108 -1.901 -3.270 -7.268 1.00 0.00 H new ATOM 0 HA ILE A 108 0.010 -5.039 -8.629 1.00 0.00 H new ATOM 0 HB ILE A 108 0.532 -5.756 -6.244 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.165 -3.327 -5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.628 -4.991 -5.276 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.855 -3.738 -5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.948 -4.173 -7.465 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.910 -2.825 -6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.774 -3.942 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.295 -5.269 -3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.765 -3.579 -4.054 1.00 0.00 H new ATOM 1625 N GLN A 109 -1.061 -7.284 -7.867 1.00 0.00 N ATOM 1626 CA GLN A 109 -1.848 -8.509 -7.793 1.00 0.00 C ATOM 1627 C GLN A 109 -1.211 -9.507 -6.833 1.00 0.00 C ATOM 1628 O GLN A 109 -0.059 -9.350 -6.430 1.00 0.00 O ATOM 1629 CB GLN A 109 -1.986 -9.135 -9.182 1.00 0.00 C ATOM 1630 CG GLN A 109 -2.464 -8.160 -10.245 1.00 0.00 C ATOM 1631 CD GLN A 109 -3.923 -7.785 -10.079 1.00 0.00 C ATOM 1632 OE1 GLN A 109 -4.718 -8.561 -9.549 1.00 0.00 O ATOM 1633 NE2 GLN A 109 -4.283 -6.591 -10.533 1.00 0.00 N ATOM 0 H GLN A 109 -0.070 -7.430 -8.058 1.00 0.00 H new ATOM 0 HA GLN A 109 -2.839 -8.254 -7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -1.022 -9.545 -9.484 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.684 -9.970 -9.127 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.854 -7.257 -10.205 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.316 -8.602 -11.231 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.590 -5.980 -10.966 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.252 -6.285 -10.449 1.00 0.00 H new ATOM 1642 N VAL A 110 -1.970 -10.537 -6.468 1.00 0.00 N ATOM 1643 CA VAL A 110 -1.481 -11.561 -5.556 1.00 0.00 C ATOM 1644 C VAL A 110 -2.376 -12.796 -5.585 1.00 0.00 C ATOM 1645 O VAL A 110 -3.599 -12.691 -5.500 1.00 0.00 O ATOM 1646 CB VAL A 110 -1.401 -11.035 -4.110 1.00 0.00 C ATOM 1647 CG1 VAL A 110 -2.782 -10.654 -3.603 1.00 0.00 C ATOM 1648 CG2 VAL A 110 -0.756 -12.069 -3.201 1.00 0.00 C ATOM 0 H VAL A 110 -2.926 -10.683 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.480 -11.831 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.778 -10.140 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.705 -10.285 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.201 -9.875 -4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.432 -11.529 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.708 -11.680 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.349 -12.984 -3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.252 -12.286 -3.554 1.00 0.00 H new ATOM 1658 N ILE A 111 -1.756 -13.966 -5.704 1.00 0.00 N ATOM 1659 CA ILE A 111 -2.496 -15.221 -5.744 1.00 0.00 C ATOM 1660 C ILE A 111 -2.654 -15.809 -4.345 1.00 0.00 C ATOM 1661 O ILE A 111 -1.753 -15.715 -3.514 1.00 0.00 O ATOM 1662 CB ILE A 111 -1.802 -16.256 -6.648 1.00 0.00 C ATOM 1663 CG1 ILE A 111 -1.693 -15.723 -8.079 1.00 0.00 C ATOM 1664 CG2 ILE A 111 -2.561 -17.574 -6.624 1.00 0.00 C ATOM 1665 CD1 ILE A 111 -0.294 -15.807 -8.649 1.00 0.00 C ATOM 0 H ILE A 111 -0.744 -14.070 -5.774 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.480 -14.995 -6.155 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.796 -16.432 -6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.372 -16.285 -8.720 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.023 -14.684 -8.098 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.058 -18.295 -7.268 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.592 -17.958 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.578 -17.415 -6.983 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.291 -15.412 -9.665 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.387 -15.222 -8.030 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.031 -16.847 -8.663 1.00 0.00 H new ATOM 1677 N THR A 112 -3.809 -16.418 -4.094 1.00 0.00 N ATOM 1678 CA THR A 112 -4.087 -17.024 -2.797 1.00 0.00 C ATOM 1679 C THR A 112 -3.523 -18.438 -2.718 1.00 0.00 C ATOM 1680 O THR A 112 -4.174 -19.398 -3.130 1.00 0.00 O ATOM 1681 CB THR A 112 -5.600 -17.069 -2.511 1.00 0.00 C ATOM 1682 OG1 THR A 112 -6.297 -17.596 -3.644 1.00 0.00 O ATOM 1683 CG2 THR A 112 -6.130 -15.682 -2.182 1.00 0.00 C ATOM 0 H THR A 112 -4.567 -16.505 -4.771 1.00 0.00 H new ATOM 0 HA THR A 112 -3.601 -16.401 -2.046 1.00 0.00 H new ATOM 0 HB THR A 112 -5.766 -17.717 -1.650 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.216 -17.255 -3.650 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.200 -15.739 -1.984 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.618 -15.296 -1.300 1.00 0.00 H new ATOM 0 HG23 THR A 112 -5.952 -15.015 -3.026 1.00 0.00 H new ATOM 1691 N GLN A 113 -2.312 -18.559 -2.188 1.00 0.00 N ATOM 1692 CA GLN A 113 -1.661 -19.857 -2.055 1.00 0.00 C ATOM 1693 C GLN A 113 -0.719 -19.875 -0.856 1.00 0.00 C ATOM 1694 O GLN A 113 0.291 -20.578 -0.856 1.00 0.00 O ATOM 1695 CB GLN A 113 -0.889 -20.197 -3.330 1.00 0.00 C ATOM 1696 CG GLN A 113 0.368 -19.363 -3.522 1.00 0.00 C ATOM 1697 CD GLN A 113 0.778 -19.254 -4.977 1.00 0.00 C ATOM 1698 OE1 GLN A 113 0.472 -20.127 -5.789 1.00 0.00 O ATOM 1699 NE2 GLN A 113 1.477 -18.175 -5.316 1.00 0.00 N ATOM 0 H GLN A 113 -1.760 -17.774 -1.843 1.00 0.00 H new ATOM 0 HA GLN A 113 -2.435 -20.608 -1.896 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -0.615 -21.252 -3.308 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -1.544 -20.055 -4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.202 -18.364 -3.119 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.184 -19.805 -2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 113 1.709 -17.475 -4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 113 1.781 -18.047 -6.281 1.00 0.00 H new