USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 471 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: A2651 ASN : amide:sc= -5.9! C(o=-13!,f=-24!) USER MOD Set 1.2: A2654 ASN : amide:sc= -7.56! C(o=-13!,f=-19!) USER MOD Single : A2639 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2640 THR OG1 : rot -10:sc= 0.743 USER MOD Single : A2642 THR OG1 : rot -44:sc= 0.416 USER MOD Single : A2652 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.0076) USER MOD Single : A2656 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2657 LYS NZ :NH3+ -146:sc= -0.339 (180deg=-1.78!) USER MOD Single : A2658 MET CE :methyl -139:sc= -1.76 (180deg=-3.82!) USER MOD Single : A2666 MET CE :methyl 173:sc= -6.98! (180deg=-7.96!) USER MOD Single : A2667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2676 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.6) USER MOD Single : A2686 THR OG1 : rot 180:sc= 0 USER MOD Single : A2690 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2691 GLN : amide:sc= -0.756 X(o=-0.76,f=-0.74) USER MOD Single : A2692 SER OG : rot -90:sc= 1.19 USER MOD Single : A2698 SER OG : rot 180:sc= 0 USER MOD Single : A2699 MET CE :methyl -163:sc= -1.75 (180deg=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 140 N ILE A2638 11.571 -4.945 2.961 1.00 0.00 N ATOM 141 CA ILE A2638 11.117 -3.567 2.942 1.00 0.00 C ATOM 142 C ILE A2638 12.125 -2.609 2.304 1.00 0.00 C ATOM 143 O ILE A2638 11.824 -1.434 2.124 1.00 0.00 O ATOM 144 CB ILE A2638 10.783 -3.077 4.361 1.00 0.00 C ATOM 145 CG1 ILE A2638 11.935 -3.379 5.319 1.00 0.00 C ATOM 146 CG2 ILE A2638 9.494 -3.720 4.851 1.00 0.00 C ATOM 147 CD1 ILE A2638 12.064 -2.365 6.434 1.00 0.00 C ATOM 0 HA ILE A2638 10.219 -3.561 2.324 1.00 0.00 H new ATOM 0 HB ILE A2638 10.641 -1.997 4.331 1.00 0.00 H new ATOM 0 HG12 ILE A2638 11.789 -4.369 5.752 1.00 0.00 H new ATOM 0 HG13 ILE A2638 12.868 -3.411 4.756 1.00 0.00 H new ATOM 0 HG21 ILE A2638 9.269 -3.364 5.857 1.00 0.00 H new ATOM 0 HG22 ILE A2638 8.677 -3.453 4.181 1.00 0.00 H new ATOM 0 HG23 ILE A2638 9.611 -4.804 4.867 1.00 0.00 H new ATOM 0 HD11 ILE A2638 12.900 -2.637 7.078 1.00 0.00 H new ATOM 0 HD12 ILE A2638 12.240 -1.377 6.009 1.00 0.00 H new ATOM 0 HD13 ILE A2638 11.145 -2.349 7.020 1.00 0.00 H new ATOM 159 N ASN A2639 13.327 -3.076 1.980 1.00 0.00 N ATOM 160 CA ASN A2639 14.329 -2.197 1.383 1.00 0.00 C ATOM 161 C ASN A2639 14.004 -1.875 -0.079 1.00 0.00 C ATOM 162 O ASN A2639 14.480 -0.875 -0.618 1.00 0.00 O ATOM 163 CB ASN A2639 15.712 -2.841 1.478 1.00 0.00 C ATOM 164 CG ASN A2639 16.326 -2.685 2.856 1.00 0.00 C ATOM 165 OD1 ASN A2639 17.033 -1.715 3.127 1.00 0.00 O ATOM 166 ND2 ASN A2639 16.057 -3.644 3.734 1.00 0.00 N ATOM 0 H ASN A2639 13.628 -4.041 2.117 1.00 0.00 H new ATOM 0 HA ASN A2639 14.321 -1.260 1.940 1.00 0.00 H new ATOM 0 HB2 ASN A2639 15.634 -3.901 1.235 1.00 0.00 H new ATOM 0 HB3 ASN A2639 16.372 -2.391 0.736 1.00 0.00 H new ATOM 0 HD21 ASN A2639 16.442 -3.594 4.677 1.00 0.00 H new ATOM 0 HD22 ASN A2639 15.465 -4.430 3.465 1.00 0.00 H new ATOM 173 N THR A2640 13.216 -2.733 -0.723 1.00 0.00 N ATOM 174 CA THR A2640 12.859 -2.539 -2.134 1.00 0.00 C ATOM 175 C THR A2640 11.730 -1.515 -2.322 1.00 0.00 C ATOM 176 O THR A2640 11.073 -1.478 -3.377 1.00 0.00 O ATOM 177 CB THR A2640 12.473 -3.877 -2.770 1.00 0.00 C ATOM 178 OG1 THR A2640 11.858 -3.679 -4.030 1.00 0.00 O ATOM 179 CG2 THR A2640 11.527 -4.694 -1.921 1.00 0.00 C ATOM 0 H THR A2640 12.812 -3.567 -0.296 1.00 0.00 H new ATOM 0 HA THR A2640 13.740 -2.137 -2.635 1.00 0.00 H new ATOM 0 HB THR A2640 13.410 -4.425 -2.871 1.00 0.00 H new ATOM 0 HG1 THR A2640 11.668 -2.726 -4.155 1.00 0.00 H new ATOM 0 HG21 THR A2640 11.295 -5.629 -2.431 1.00 0.00 H new ATOM 0 HG22 THR A2640 11.995 -4.911 -0.961 1.00 0.00 H new ATOM 0 HG23 THR A2640 10.607 -4.132 -1.757 1.00 0.00 H new ATOM 187 N LEU A2641 11.501 -0.669 -1.316 1.00 0.00 N ATOM 188 CA LEU A2641 10.467 0.345 -1.410 1.00 0.00 C ATOM 189 C LEU A2641 10.973 1.580 -2.143 1.00 0.00 C ATOM 190 O LEU A2641 10.564 2.693 -1.834 1.00 0.00 O ATOM 191 CB LEU A2641 9.991 0.757 -0.021 1.00 0.00 C ATOM 192 CG LEU A2641 9.659 -0.381 0.936 1.00 0.00 C ATOM 193 CD1 LEU A2641 9.700 0.125 2.370 1.00 0.00 C ATOM 194 CD2 LEU A2641 8.299 -0.974 0.617 1.00 0.00 C ATOM 0 H LEU A2641 12.017 -0.671 -0.436 1.00 0.00 H new ATOM 0 HA LEU A2641 9.638 -0.088 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A2641 10.762 1.377 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A2641 9.105 1.382 -0.133 1.00 0.00 H new ATOM 0 HG LEU A2641 10.403 -1.168 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A2641 9.462 -0.692 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A2641 10.697 0.505 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A2641 8.970 0.925 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A2641 8.083 -1.785 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A2641 7.535 -0.202 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A2641 8.301 -1.361 -0.402 1.00 0.00 H new ATOM 206 N THR A2642 11.859 1.395 -3.115 1.00 0.00 N ATOM 207 CA THR A2642 12.387 2.523 -3.872 1.00 0.00 C ATOM 208 C THR A2642 11.432 2.904 -5.002 1.00 0.00 C ATOM 209 O THR A2642 11.824 3.573 -5.958 1.00 0.00 O ATOM 210 CB THR A2642 13.766 2.184 -4.443 1.00 0.00 C ATOM 211 OG1 THR A2642 14.412 3.352 -4.916 1.00 0.00 O ATOM 212 CG2 THR A2642 13.715 1.192 -5.585 1.00 0.00 C ATOM 0 H THR A2642 12.224 0.485 -3.395 1.00 0.00 H new ATOM 0 HA THR A2642 12.485 3.373 -3.196 1.00 0.00 H new ATOM 0 HB THR A2642 14.318 1.733 -3.618 1.00 0.00 H new ATOM 0 HG1 THR A2642 13.775 3.894 -5.427 1.00 0.00 H new ATOM 0 HG21 THR A2642 14.726 0.996 -5.942 1.00 0.00 H new ATOM 0 HG22 THR A2642 13.266 0.261 -5.239 1.00 0.00 H new ATOM 0 HG23 THR A2642 13.116 1.603 -6.398 1.00 0.00 H new ATOM 220 N GLY A2643 10.180 2.464 -4.890 1.00 0.00 N ATOM 221 CA GLY A2643 9.198 2.758 -5.912 1.00 0.00 C ATOM 222 C GLY A2643 8.792 1.519 -6.680 1.00 0.00 C ATOM 223 O GLY A2643 7.748 1.502 -7.334 1.00 0.00 O ATOM 0 H GLY A2643 9.832 1.909 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY A2643 8.317 3.204 -5.451 1.00 0.00 H new ATOM 0 HA3 GLY A2643 9.604 3.496 -6.603 1.00 0.00 H new ATOM 227 N GLU A2644 9.634 0.484 -6.607 1.00 0.00 N ATOM 228 CA GLU A2644 9.389 -0.768 -7.312 1.00 0.00 C ATOM 229 C GLU A2644 8.564 -1.759 -6.488 1.00 0.00 C ATOM 230 O GLU A2644 7.819 -2.558 -7.055 1.00 0.00 O ATOM 231 CB GLU A2644 10.719 -1.412 -7.710 1.00 0.00 C ATOM 232 CG GLU A2644 11.159 -1.067 -9.124 1.00 0.00 C ATOM 233 CD GLU A2644 12.564 -1.550 -9.432 1.00 0.00 C ATOM 234 OE1 GLU A2644 12.823 -2.761 -9.278 1.00 0.00 O ATOM 235 OE2 GLU A2644 13.405 -0.715 -9.828 1.00 0.00 O ATOM 0 H GLU A2644 10.496 0.494 -6.062 1.00 0.00 H new ATOM 0 HA GLU A2644 8.808 -0.524 -8.201 1.00 0.00 H new ATOM 0 HB2 GLU A2644 11.492 -1.095 -7.010 1.00 0.00 H new ATOM 0 HB3 GLU A2644 10.631 -2.495 -7.619 1.00 0.00 H new ATOM 0 HG2 GLU A2644 10.462 -1.510 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A2644 11.112 0.013 -9.262 1.00 0.00 H new ATOM 242 N GLU A2645 8.686 -1.721 -5.158 1.00 0.00 N ATOM 243 CA GLU A2645 7.926 -2.640 -4.307 1.00 0.00 C ATOM 244 C GLU A2645 6.446 -2.692 -4.695 1.00 0.00 C ATOM 245 O GLU A2645 5.869 -1.695 -5.130 1.00 0.00 O ATOM 246 CB GLU A2645 8.049 -2.222 -2.842 1.00 0.00 C ATOM 247 CG GLU A2645 9.024 -3.073 -2.055 1.00 0.00 C ATOM 248 CD GLU A2645 8.474 -4.451 -1.742 1.00 0.00 C ATOM 249 OE1 GLU A2645 7.581 -4.915 -2.482 1.00 0.00 O ATOM 250 OE2 GLU A2645 8.935 -5.065 -0.757 1.00 0.00 O ATOM 0 H GLU A2645 9.293 -1.075 -4.654 1.00 0.00 H new ATOM 0 HA GLU A2645 8.348 -3.635 -4.450 1.00 0.00 H new ATOM 0 HB2 GLU A2645 8.366 -1.180 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A2645 7.067 -2.278 -2.372 1.00 0.00 H new ATOM 0 HG2 GLU A2645 9.950 -3.175 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A2645 9.274 -2.565 -1.123 1.00 0.00 H new ATOM 257 N ARG A2646 5.839 -3.864 -4.513 1.00 0.00 N ATOM 258 CA ARG A2646 4.424 -4.059 -4.819 1.00 0.00 C ATOM 259 C ARG A2646 3.607 -4.085 -3.529 1.00 0.00 C ATOM 260 O ARG A2646 3.448 -5.132 -2.901 1.00 0.00 O ATOM 261 CB ARG A2646 4.214 -5.359 -5.600 1.00 0.00 C ATOM 262 CG ARG A2646 5.272 -5.612 -6.664 1.00 0.00 C ATOM 263 CD ARG A2646 4.662 -5.678 -8.055 1.00 0.00 C ATOM 264 NE ARG A2646 5.522 -5.059 -9.060 1.00 0.00 N ATOM 265 CZ ARG A2646 5.428 -5.297 -10.367 1.00 0.00 C ATOM 266 NH1 ARG A2646 4.512 -6.138 -10.832 1.00 0.00 N ATOM 267 NH2 ARG A2646 6.252 -4.691 -11.211 1.00 0.00 N ATOM 0 H ARG A2646 6.308 -4.695 -4.154 1.00 0.00 H new ATOM 0 HA ARG A2646 4.087 -3.227 -5.437 1.00 0.00 H new ATOM 0 HB2 ARG A2646 4.207 -6.195 -4.901 1.00 0.00 H new ATOM 0 HB3 ARG A2646 3.233 -5.333 -6.075 1.00 0.00 H new ATOM 0 HG2 ARG A2646 6.019 -4.819 -6.631 1.00 0.00 H new ATOM 0 HG3 ARG A2646 5.790 -6.547 -6.448 1.00 0.00 H new ATOM 0 HD2 ARG A2646 4.483 -6.719 -8.323 1.00 0.00 H new ATOM 0 HD3 ARG A2646 3.693 -5.179 -8.050 1.00 0.00 H new ATOM 0 HE ARG A2646 6.237 -4.405 -8.742 1.00 0.00 H new ATOM 0 HH11 ARG A2646 3.875 -6.606 -10.187 1.00 0.00 H new ATOM 0 HH12 ARG A2646 4.445 -6.316 -11.834 1.00 0.00 H new ATOM 0 HH21 ARG A2646 6.957 -4.043 -10.859 1.00 0.00 H new ATOM 0 HH22 ARG A2646 6.181 -4.873 -12.212 1.00 0.00 H new ATOM 281 N VAL A2647 3.122 -2.917 -3.129 1.00 0.00 N ATOM 282 CA VAL A2647 2.350 -2.779 -1.897 1.00 0.00 C ATOM 283 C VAL A2647 0.962 -3.420 -1.994 1.00 0.00 C ATOM 284 O VAL A2647 0.149 -3.030 -2.830 1.00 0.00 O ATOM 285 CB VAL A2647 2.184 -1.300 -1.525 1.00 0.00 C ATOM 286 CG1 VAL A2647 1.611 -1.161 -0.129 1.00 0.00 C ATOM 287 CG2 VAL A2647 3.511 -0.569 -1.634 1.00 0.00 C ATOM 0 H VAL A2647 3.250 -2.045 -3.642 1.00 0.00 H new ATOM 0 HA VAL A2647 2.914 -3.303 -1.125 1.00 0.00 H new ATOM 0 HB VAL A2647 1.485 -0.847 -2.228 1.00 0.00 H new ATOM 0 HG11 VAL A2647 1.501 -0.105 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A2647 0.636 -1.647 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A2647 2.283 -1.632 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A2647 3.372 0.478 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A2647 4.234 -1.024 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A2647 3.880 -0.636 -2.657 1.00 0.00 H new ATOM 297 N PRO A2648 0.671 -4.409 -1.120 1.00 0.00 N ATOM 298 CA PRO A2648 -0.625 -5.104 -1.092 1.00 0.00 C ATOM 299 C PRO A2648 -1.755 -4.223 -0.563 1.00 0.00 C ATOM 300 O PRO A2648 -1.593 -3.512 0.436 1.00 0.00 O ATOM 301 CB PRO A2648 -0.394 -6.284 -0.134 1.00 0.00 C ATOM 302 CG PRO A2648 1.076 -6.328 0.110 1.00 0.00 C ATOM 303 CD PRO A2648 1.573 -4.928 -0.089 1.00 0.00 C ATOM 0 HA PRO A2648 -0.933 -5.401 -2.095 1.00 0.00 H new ATOM 0 HB2 PRO A2648 -0.941 -6.143 0.798 1.00 0.00 H new ATOM 0 HB3 PRO A2648 -0.746 -7.218 -0.572 1.00 0.00 H new ATOM 0 HG2 PRO A2648 1.293 -6.679 1.119 1.00 0.00 H new ATOM 0 HG3 PRO A2648 1.565 -7.017 -0.579 1.00 0.00 H new ATOM 0 HD2 PRO A2648 1.517 -4.344 0.830 1.00 0.00 H new ATOM 0 HD3 PRO A2648 2.613 -4.910 -0.415 1.00 0.00 H new ATOM 311 N VAL A2649 -2.907 -4.285 -1.228 1.00 0.00 N ATOM 312 CA VAL A2649 -4.068 -3.500 -0.827 1.00 0.00 C ATOM 313 C VAL A2649 -5.246 -4.396 -0.461 1.00 0.00 C ATOM 314 O VAL A2649 -5.463 -5.443 -1.072 1.00 0.00 O ATOM 315 CB VAL A2649 -4.497 -2.531 -1.945 1.00 0.00 C ATOM 316 CG1 VAL A2649 -3.372 -1.558 -2.266 1.00 0.00 C ATOM 317 CG2 VAL A2649 -4.917 -3.299 -3.191 1.00 0.00 C ATOM 0 H VAL A2649 -3.059 -4.872 -2.048 1.00 0.00 H new ATOM 0 HA VAL A2649 -3.774 -2.926 0.052 1.00 0.00 H new ATOM 0 HB VAL A2649 -5.356 -1.959 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A2649 -3.692 -0.881 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A2649 -3.123 -0.982 -1.374 1.00 0.00 H new ATOM 0 HG13 VAL A2649 -2.494 -2.113 -2.596 1.00 0.00 H new ATOM 0 HG21 VAL A2649 -5.216 -2.596 -3.968 1.00 0.00 H new ATOM 0 HG22 VAL A2649 -4.080 -3.900 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A2649 -5.756 -3.952 -2.950 1.00 0.00 H new ATOM 327 N VAL A2650 -6.006 -3.969 0.541 1.00 0.00 N ATOM 328 CA VAL A2650 -7.169 -4.715 1.000 1.00 0.00 C ATOM 329 C VAL A2650 -8.419 -3.848 0.957 1.00 0.00 C ATOM 330 O VAL A2650 -8.431 -2.728 1.472 1.00 0.00 O ATOM 331 CB VAL A2650 -6.992 -5.251 2.444 1.00 0.00 C ATOM 332 CG1 VAL A2650 -7.160 -6.763 2.481 1.00 0.00 C ATOM 333 CG2 VAL A2650 -5.644 -4.842 3.028 1.00 0.00 C ATOM 0 H VAL A2650 -5.835 -3.104 1.053 1.00 0.00 H new ATOM 0 HA VAL A2650 -7.274 -5.563 0.323 1.00 0.00 H new ATOM 0 HB VAL A2650 -7.770 -4.803 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A2650 -7.032 -7.118 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A2650 -8.157 -7.027 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A2650 -6.412 -7.228 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A2650 -5.552 -5.234 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A2650 -4.842 -5.245 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A2650 -5.573 -3.755 3.052 1.00 0.00 H new ATOM 343 N ASN A2651 -9.471 -4.377 0.349 1.00 0.00 N ATOM 344 CA ASN A2651 -10.735 -3.662 0.251 1.00 0.00 C ATOM 345 C ASN A2651 -11.341 -3.489 1.638 1.00 0.00 C ATOM 346 O ASN A2651 -11.398 -4.434 2.425 1.00 0.00 O ATOM 347 CB ASN A2651 -11.712 -4.402 -0.662 1.00 0.00 C ATOM 348 CG ASN A2651 -13.034 -3.673 -0.798 1.00 0.00 C ATOM 349 OD1 ASN A2651 -13.765 -3.509 0.175 1.00 0.00 O ATOM 350 ND2 ASN A2651 -13.354 -3.235 -2.009 1.00 0.00 N ATOM 0 H ASN A2651 -9.474 -5.300 -0.084 1.00 0.00 H new ATOM 0 HA ASN A2651 -10.543 -2.680 -0.182 1.00 0.00 H new ATOM 0 HB2 ASN A2651 -11.264 -4.524 -1.648 1.00 0.00 H new ATOM 0 HB3 ASN A2651 -11.890 -5.402 -0.266 1.00 0.00 H new ATOM 0 HD21 ASN A2651 -14.235 -2.742 -2.157 1.00 0.00 H new ATOM 0 HD22 ASN A2651 -12.719 -3.391 -2.792 1.00 0.00 H new ATOM 357 N LYS A2652 -11.761 -2.272 1.941 1.00 0.00 N ATOM 358 CA LYS A2652 -12.328 -1.959 3.247 1.00 0.00 C ATOM 359 C LYS A2652 -13.694 -2.609 3.463 1.00 0.00 C ATOM 360 O LYS A2652 -14.049 -2.951 4.591 1.00 0.00 O ATOM 361 CB LYS A2652 -12.446 -0.442 3.422 1.00 0.00 C ATOM 362 CG LYS A2652 -11.348 0.345 2.720 1.00 0.00 C ATOM 363 CD LYS A2652 -11.007 1.620 3.473 1.00 0.00 C ATOM 364 CE LYS A2652 -10.418 1.316 4.842 1.00 0.00 C ATOM 365 NZ LYS A2652 -9.463 2.370 5.281 1.00 0.00 N ATOM 0 H LYS A2652 -11.721 -1.480 1.299 1.00 0.00 H new ATOM 0 HA LYS A2652 -11.648 -2.368 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A2652 -13.414 -0.116 3.041 1.00 0.00 H new ATOM 0 HB3 LYS A2652 -12.426 -0.206 4.486 1.00 0.00 H new ATOM 0 HG2 LYS A2652 -10.456 -0.275 2.630 1.00 0.00 H new ATOM 0 HG3 LYS A2652 -11.667 0.593 1.708 1.00 0.00 H new ATOM 0 HD2 LYS A2652 -10.297 2.208 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A2652 -11.905 2.227 3.588 1.00 0.00 H new ATOM 0 HE2 LYS A2652 -11.223 1.228 5.572 1.00 0.00 H new ATOM 0 HE3 LYS A2652 -9.908 0.353 4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A2652 -9.332 2.312 6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A2652 -8.548 2.229 4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A2652 -9.841 3.306 5.032 1.00 0.00 H new ATOM 379 N ARG A2653 -14.473 -2.752 2.396 1.00 0.00 N ATOM 380 CA ARG A2653 -15.813 -3.329 2.503 1.00 0.00 C ATOM 381 C ARG A2653 -15.833 -4.839 2.260 1.00 0.00 C ATOM 382 O ARG A2653 -16.246 -5.606 3.131 1.00 0.00 O ATOM 383 CB ARG A2653 -16.749 -2.642 1.508 1.00 0.00 C ATOM 384 CG ARG A2653 -18.220 -2.957 1.737 1.00 0.00 C ATOM 385 CD ARG A2653 -19.103 -1.758 1.430 1.00 0.00 C ATOM 386 NE ARG A2653 -20.108 -2.063 0.415 1.00 0.00 N ATOM 387 CZ ARG A2653 -20.840 -1.141 -0.207 1.00 0.00 C ATOM 388 NH1 ARG A2653 -20.684 0.146 0.084 1.00 0.00 N ATOM 389 NH2 ARG A2653 -21.729 -1.505 -1.120 1.00 0.00 N ATOM 0 H ARG A2653 -14.204 -2.479 1.451 1.00 0.00 H new ATOM 0 HA ARG A2653 -16.150 -3.163 3.526 1.00 0.00 H new ATOM 0 HB2 ARG A2653 -16.603 -1.564 1.570 1.00 0.00 H new ATOM 0 HB3 ARG A2653 -16.475 -2.943 0.497 1.00 0.00 H new ATOM 0 HG2 ARG A2653 -18.515 -3.797 1.109 1.00 0.00 H new ATOM 0 HG3 ARG A2653 -18.370 -3.265 2.772 1.00 0.00 H new ATOM 0 HD2 ARG A2653 -19.599 -1.430 2.344 1.00 0.00 H new ATOM 0 HD3 ARG A2653 -18.483 -0.929 1.088 1.00 0.00 H new ATOM 0 HE ARG A2653 -20.258 -3.041 0.168 1.00 0.00 H new ATOM 0 HH11 ARG A2653 -20.001 0.431 0.786 1.00 0.00 H new ATOM 0 HH12 ARG A2653 -21.247 0.849 -0.395 1.00 0.00 H new ATOM 0 HH21 ARG A2653 -21.853 -2.492 -1.346 1.00 0.00 H new ATOM 0 HH22 ARG A2653 -22.290 -0.798 -1.596 1.00 0.00 H new ATOM 403 N ASN A2654 -15.420 -5.267 1.068 1.00 0.00 N ATOM 404 CA ASN A2654 -15.436 -6.691 0.727 1.00 0.00 C ATOM 405 C ASN A2654 -14.217 -7.436 1.270 1.00 0.00 C ATOM 406 O ASN A2654 -14.234 -8.663 1.367 1.00 0.00 O ATOM 407 CB ASN A2654 -15.553 -6.907 -0.789 1.00 0.00 C ATOM 408 CG ASN A2654 -14.874 -5.824 -1.604 1.00 0.00 C ATOM 409 OD1 ASN A2654 -15.404 -4.724 -1.759 1.00 0.00 O ATOM 410 ND2 ASN A2654 -13.699 -6.135 -2.134 1.00 0.00 N ATOM 0 H ASN A2654 -15.073 -4.656 0.328 1.00 0.00 H new ATOM 0 HA ASN A2654 -16.321 -7.107 1.209 1.00 0.00 H new ATOM 0 HB2 ASN A2654 -15.117 -7.872 -1.046 1.00 0.00 H new ATOM 0 HB3 ASN A2654 -16.607 -6.950 -1.062 1.00 0.00 H new ATOM 0 HD21 ASN A2654 -13.196 -5.449 -2.697 1.00 0.00 H new ATOM 0 HD22 ASN A2654 -13.298 -7.060 -1.979 1.00 0.00 H new ATOM 417 N GLY A2655 -13.170 -6.705 1.641 1.00 0.00 N ATOM 418 CA GLY A2655 -11.987 -7.347 2.186 1.00 0.00 C ATOM 419 C GLY A2655 -11.049 -7.904 1.129 1.00 0.00 C ATOM 420 O GLY A2655 -10.010 -8.471 1.465 1.00 0.00 O ATOM 0 H GLY A2655 -13.119 -5.688 1.575 1.00 0.00 H new ATOM 0 HA2 GLY A2655 -11.443 -6.627 2.797 1.00 0.00 H new ATOM 0 HA3 GLY A2655 -12.296 -8.157 2.847 1.00 0.00 H new ATOM 424 N LYS A2656 -11.400 -7.747 -0.148 1.00 0.00 N ATOM 425 CA LYS A2656 -10.555 -8.248 -1.233 1.00 0.00 C ATOM 426 C LYS A2656 -9.103 -7.838 -1.006 1.00 0.00 C ATOM 427 O LYS A2656 -8.784 -6.654 -0.931 1.00 0.00 O ATOM 428 CB LYS A2656 -11.047 -7.726 -2.587 1.00 0.00 C ATOM 429 CG LYS A2656 -10.132 -8.079 -3.751 1.00 0.00 C ATOM 430 CD LYS A2656 -10.925 -8.409 -5.007 1.00 0.00 C ATOM 431 CE LYS A2656 -10.823 -7.299 -6.043 1.00 0.00 C ATOM 432 NZ LYS A2656 -12.159 -6.913 -6.577 1.00 0.00 N ATOM 0 H LYS A2656 -12.254 -7.282 -0.455 1.00 0.00 H new ATOM 0 HA LYS A2656 -10.616 -9.336 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A2656 -12.040 -8.130 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A2656 -11.149 -6.642 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A2656 -9.461 -7.244 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A2656 -9.509 -8.931 -3.479 1.00 0.00 H new ATOM 0 HD2 LYS A2656 -10.558 -9.342 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A2656 -11.971 -8.568 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A2656 -10.345 -6.427 -5.595 1.00 0.00 H new ATOM 0 HE3 LYS A2656 -10.185 -7.626 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A2656 -12.046 -6.154 -7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A2656 -12.605 -7.738 -7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A2656 -12.760 -6.577 -5.798 1.00 0.00 H new ATOM 446 N LYS A2657 -8.228 -8.827 -0.893 1.00 0.00 N ATOM 447 CA LYS A2657 -6.813 -8.566 -0.663 1.00 0.00 C ATOM 448 C LYS A2657 -5.985 -8.904 -1.893 1.00 0.00 C ATOM 449 O LYS A2657 -6.149 -9.965 -2.495 1.00 0.00 O ATOM 450 CB LYS A2657 -6.309 -9.367 0.538 1.00 0.00 C ATOM 451 CG LYS A2657 -4.850 -9.099 0.876 1.00 0.00 C ATOM 452 CD LYS A2657 -4.650 -8.883 2.369 1.00 0.00 C ATOM 453 CE LYS A2657 -3.364 -9.528 2.862 1.00 0.00 C ATOM 454 NZ LYS A2657 -3.226 -10.932 2.384 1.00 0.00 N ATOM 0 H LYS A2657 -8.471 -9.815 -0.957 1.00 0.00 H new ATOM 0 HA LYS A2657 -6.701 -7.502 -0.455 1.00 0.00 H new ATOM 0 HB2 LYS A2657 -6.924 -9.131 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A2657 -6.438 -10.430 0.336 1.00 0.00 H new ATOM 0 HG2 LYS A2657 -4.239 -9.939 0.545 1.00 0.00 H new ATOM 0 HG3 LYS A2657 -4.506 -8.220 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A2657 -4.626 -7.814 2.582 1.00 0.00 H new ATOM 0 HD3 LYS A2657 -5.498 -9.298 2.914 1.00 0.00 H new ATOM 0 HE2 LYS A2657 -2.510 -8.943 2.520 1.00 0.00 H new ATOM 0 HE3 LYS A2657 -3.345 -9.512 3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A2657 -2.744 -11.500 3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A2657 -4.169 -11.331 2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A2657 -2.668 -10.947 1.506 1.00 0.00 H new ATOM 468 N MET A2658 -5.091 -7.996 -2.253 1.00 0.00 N ATOM 469 CA MET A2658 -4.224 -8.192 -3.406 1.00 0.00 C ATOM 470 C MET A2658 -2.784 -7.839 -3.060 1.00 0.00 C ATOM 471 O MET A2658 -2.425 -6.665 -2.976 1.00 0.00 O ATOM 472 CB MET A2658 -4.698 -7.347 -4.588 1.00 0.00 C ATOM 473 CG MET A2658 -6.212 -7.249 -4.705 1.00 0.00 C ATOM 474 SD MET A2658 -6.741 -6.437 -6.224 1.00 0.00 S ATOM 475 CE MET A2658 -6.762 -4.724 -5.701 1.00 0.00 C ATOM 0 H MET A2658 -4.946 -7.114 -1.762 1.00 0.00 H new ATOM 0 HA MET A2658 -4.270 -9.244 -3.687 1.00 0.00 H new ATOM 0 HB2 MET A2658 -4.284 -6.343 -4.494 1.00 0.00 H new ATOM 0 HB3 MET A2658 -4.298 -7.771 -5.509 1.00 0.00 H new ATOM 0 HG2 MET A2658 -6.641 -8.250 -4.665 1.00 0.00 H new ATOM 0 HG3 MET A2658 -6.604 -6.700 -3.849 1.00 0.00 H new ATOM 0 HE1 MET A2658 -7.640 -4.228 -6.115 1.00 0.00 H new ATOM 0 HE2 MET A2658 -6.797 -4.676 -4.613 1.00 0.00 H new ATOM 0 HE3 MET A2658 -5.861 -4.224 -6.057 1.00 0.00 H new ATOM 526 N ALA A2663 -0.939 -5.818 -6.993 1.00 0.00 N ATOM 527 CA ALA A2663 -0.917 -4.760 -5.993 1.00 0.00 C ATOM 528 C ALA A2663 -0.197 -3.518 -6.513 1.00 0.00 C ATOM 529 O ALA A2663 0.725 -3.615 -7.324 1.00 0.00 O ATOM 530 CB ALA A2663 -0.267 -5.259 -4.713 1.00 0.00 C ATOM 0 HA ALA A2663 -1.948 -4.478 -5.777 1.00 0.00 H new ATOM 0 HB1 ALA A2663 -0.257 -4.458 -3.974 1.00 0.00 H new ATOM 0 HB2 ALA A2663 -0.833 -6.105 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A2663 0.756 -5.572 -4.922 1.00 0.00 H new ATOM 536 N PRO A2664 -0.620 -2.326 -6.056 1.00 0.00 N ATOM 537 CA PRO A2664 -0.027 -1.051 -6.480 1.00 0.00 C ATOM 538 C PRO A2664 1.456 -0.932 -6.133 1.00 0.00 C ATOM 539 O PRO A2664 1.912 -1.463 -5.118 1.00 0.00 O ATOM 540 CB PRO A2664 -0.831 -0.002 -5.701 1.00 0.00 C ATOM 541 CG PRO A2664 -1.446 -0.750 -4.569 1.00 0.00 C ATOM 542 CD PRO A2664 -1.720 -2.125 -5.099 1.00 0.00 C ATOM 0 HA PRO A2664 -0.072 -0.938 -7.563 1.00 0.00 H new ATOM 0 HB2 PRO A2664 -0.188 0.801 -5.340 1.00 0.00 H new ATOM 0 HB3 PRO A2664 -1.593 0.458 -6.330 1.00 0.00 H new ATOM 0 HG2 PRO A2664 -0.774 -0.787 -3.712 1.00 0.00 H new ATOM 0 HG3 PRO A2664 -2.365 -0.269 -4.234 1.00 0.00 H new ATOM 0 HD2 PRO A2664 -1.710 -2.874 -4.307 1.00 0.00 H new ATOM 0 HD3 PRO A2664 -2.695 -2.186 -5.583 1.00 0.00 H new ATOM 550 N PRO A2665 2.229 -0.218 -6.975 1.00 0.00 N ATOM 551 CA PRO A2665 3.656 -0.015 -6.759 1.00 0.00 C ATOM 552 C PRO A2665 3.936 1.206 -5.887 1.00 0.00 C ATOM 553 O PRO A2665 3.230 2.212 -5.960 1.00 0.00 O ATOM 554 CB PRO A2665 4.176 0.200 -8.175 1.00 0.00 C ATOM 555 CG PRO A2665 3.050 0.860 -8.901 1.00 0.00 C ATOM 556 CD PRO A2665 1.770 0.455 -8.203 1.00 0.00 C ATOM 0 HA PRO A2665 4.127 -0.846 -6.234 1.00 0.00 H new ATOM 0 HB2 PRO A2665 5.069 0.826 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO A2665 4.448 -0.746 -8.644 1.00 0.00 H new ATOM 0 HG2 PRO A2665 3.168 1.944 -8.890 1.00 0.00 H new ATOM 0 HG3 PRO A2665 3.033 0.551 -9.946 1.00 0.00 H new ATOM 0 HD2 PRO A2665 1.149 1.321 -7.975 1.00 0.00 H new ATOM 0 HD3 PRO A2665 1.171 -0.212 -8.823 1.00 0.00 H new ATOM 564 N MET A2666 4.954 1.096 -5.043 1.00 0.00 N ATOM 565 CA MET A2666 5.328 2.171 -4.126 1.00 0.00 C ATOM 566 C MET A2666 5.316 3.547 -4.796 1.00 0.00 C ATOM 567 O MET A2666 4.743 4.496 -4.261 1.00 0.00 O ATOM 568 CB MET A2666 6.713 1.905 -3.537 1.00 0.00 C ATOM 569 CG MET A2666 6.788 2.137 -2.041 1.00 0.00 C ATOM 570 SD MET A2666 6.302 0.680 -1.105 1.00 0.00 S ATOM 571 CE MET A2666 5.838 1.417 0.459 1.00 0.00 C ATOM 0 H MET A2666 5.542 0.265 -4.973 1.00 0.00 H new ATOM 0 HA MET A2666 4.579 2.183 -3.334 1.00 0.00 H new ATOM 0 HB2 MET A2666 6.999 0.875 -3.752 1.00 0.00 H new ATOM 0 HB3 MET A2666 7.440 2.548 -4.033 1.00 0.00 H new ATOM 0 HG2 MET A2666 7.805 2.419 -1.769 1.00 0.00 H new ATOM 0 HG3 MET A2666 6.142 2.973 -1.771 1.00 0.00 H new ATOM 0 HE1 MET A2666 5.397 0.656 1.103 1.00 0.00 H new ATOM 0 HE2 MET A2666 6.722 1.833 0.942 1.00 0.00 H new ATOM 0 HE3 MET A2666 5.112 2.211 0.286 1.00 0.00 H new ATOM 581 N LYS A2667 5.980 3.663 -5.942 1.00 0.00 N ATOM 582 CA LYS A2667 6.069 4.945 -6.643 1.00 0.00 C ATOM 583 C LYS A2667 4.735 5.399 -7.255 1.00 0.00 C ATOM 584 O LYS A2667 4.653 6.499 -7.801 1.00 0.00 O ATOM 585 CB LYS A2667 7.153 4.880 -7.722 1.00 0.00 C ATOM 586 CG LYS A2667 6.729 4.161 -8.994 1.00 0.00 C ATOM 587 CD LYS A2667 6.876 5.059 -10.214 1.00 0.00 C ATOM 588 CE LYS A2667 7.722 4.402 -11.295 1.00 0.00 C ATOM 589 NZ LYS A2667 8.672 5.365 -11.919 1.00 0.00 N ATOM 0 H LYS A2667 6.462 2.892 -6.405 1.00 0.00 H new ATOM 0 HA LYS A2667 6.334 5.692 -5.894 1.00 0.00 H new ATOM 0 HB2 LYS A2667 7.457 5.895 -7.977 1.00 0.00 H new ATOM 0 HB3 LYS A2667 8.029 4.379 -7.310 1.00 0.00 H new ATOM 0 HG2 LYS A2667 7.334 3.264 -9.126 1.00 0.00 H new ATOM 0 HG3 LYS A2667 5.693 3.836 -8.902 1.00 0.00 H new ATOM 0 HD2 LYS A2667 5.890 5.293 -10.615 1.00 0.00 H new ATOM 0 HD3 LYS A2667 7.332 6.004 -9.918 1.00 0.00 H new ATOM 0 HE2 LYS A2667 8.279 3.570 -10.864 1.00 0.00 H new ATOM 0 HE3 LYS A2667 7.070 3.986 -12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A2667 9.229 4.879 -12.650 1.00 0.00 H new ATOM 0 HZ2 LYS A2667 8.140 6.146 -12.352 1.00 0.00 H new ATOM 0 HZ3 LYS A2667 9.311 5.743 -11.191 1.00 0.00 H new ATOM 603 N ASP A2668 3.698 4.568 -7.175 1.00 0.00 N ATOM 604 CA ASP A2668 2.396 4.933 -7.742 1.00 0.00 C ATOM 605 C ASP A2668 1.250 4.725 -6.747 1.00 0.00 C ATOM 606 O ASP A2668 0.086 4.948 -7.081 1.00 0.00 O ATOM 607 CB ASP A2668 2.129 4.126 -9.014 1.00 0.00 C ATOM 608 CG ASP A2668 1.259 4.875 -10.003 1.00 0.00 C ATOM 609 OD1 ASP A2668 0.050 4.572 -10.079 1.00 0.00 O ATOM 610 OD2 ASP A2668 1.787 5.766 -10.702 1.00 0.00 O ATOM 0 H ASP A2668 3.729 3.650 -6.731 1.00 0.00 H new ATOM 0 HA ASP A2668 2.436 5.996 -7.981 1.00 0.00 H new ATOM 0 HB2 ASP A2668 3.078 3.875 -9.487 1.00 0.00 H new ATOM 0 HB3 ASP A2668 1.646 3.185 -8.749 1.00 0.00 H new ATOM 615 N LEU A2669 1.579 4.292 -5.533 1.00 0.00 N ATOM 616 CA LEU A2669 0.570 4.048 -4.499 1.00 0.00 C ATOM 617 C LEU A2669 -0.475 5.167 -4.425 1.00 0.00 C ATOM 618 O LEU A2669 -1.670 4.893 -4.314 1.00 0.00 O ATOM 619 CB LEU A2669 1.234 3.884 -3.131 1.00 0.00 C ATOM 620 CG LEU A2669 2.125 2.654 -2.984 1.00 0.00 C ATOM 621 CD1 LEU A2669 2.885 2.706 -1.666 1.00 0.00 C ATOM 622 CD2 LEU A2669 1.300 1.383 -3.073 1.00 0.00 C ATOM 0 H LEU A2669 2.537 4.102 -5.238 1.00 0.00 H new ATOM 0 HA LEU A2669 0.056 3.128 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A2669 1.832 4.772 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A2669 0.455 3.842 -2.370 1.00 0.00 H new ATOM 0 HG LEU A2669 2.847 2.651 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A2669 3.516 1.822 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A2669 3.507 3.601 -1.640 1.00 0.00 H new ATOM 0 HD13 LEU A2669 2.176 2.732 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A2669 1.953 0.517 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A2669 0.555 1.376 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A2669 0.798 1.342 -4.040 1.00 0.00 H new ATOM 634 N PRO A2670 -0.050 6.445 -4.470 1.00 0.00 N ATOM 635 CA PRO A2670 -0.972 7.587 -4.389 1.00 0.00 C ATOM 636 C PRO A2670 -1.926 7.656 -5.578 1.00 0.00 C ATOM 637 O PRO A2670 -3.062 8.126 -5.455 1.00 0.00 O ATOM 638 CB PRO A2670 -0.047 8.812 -4.383 1.00 0.00 C ATOM 639 CG PRO A2670 1.308 8.283 -4.052 1.00 0.00 C ATOM 640 CD PRO A2670 1.350 6.884 -4.589 1.00 0.00 C ATOM 0 HA PRO A2670 -1.612 7.517 -3.510 1.00 0.00 H new ATOM 0 HB2 PRO A2670 -0.048 9.310 -5.353 1.00 0.00 H new ATOM 0 HB3 PRO A2670 -0.373 9.547 -3.647 1.00 0.00 H new ATOM 0 HG2 PRO A2670 2.087 8.897 -4.503 1.00 0.00 H new ATOM 0 HG3 PRO A2670 1.478 8.293 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A2670 1.695 6.858 -5.623 1.00 0.00 H new ATOM 0 HD3 PRO A2670 2.023 6.250 -4.012 1.00 0.00 H new ATOM 648 N ARG A2671 -1.471 7.152 -6.717 1.00 0.00 N ATOM 649 CA ARG A2671 -2.292 7.136 -7.917 1.00 0.00 C ATOM 650 C ARG A2671 -3.302 6.007 -7.821 1.00 0.00 C ATOM 651 O ARG A2671 -4.507 6.214 -7.957 1.00 0.00 O ATOM 652 CB ARG A2671 -1.419 6.962 -9.162 1.00 0.00 C ATOM 653 CG ARG A2671 -0.932 8.277 -9.750 1.00 0.00 C ATOM 654 CD ARG A2671 0.455 8.637 -9.240 1.00 0.00 C ATOM 655 NE ARG A2671 1.394 8.880 -10.333 1.00 0.00 N ATOM 656 CZ ARG A2671 2.675 9.193 -10.154 1.00 0.00 C ATOM 657 NH1 ARG A2671 3.174 9.299 -8.929 1.00 0.00 N ATOM 658 NH2 ARG A2671 3.460 9.399 -11.203 1.00 0.00 N ATOM 0 H ARG A2671 -0.541 6.750 -6.834 1.00 0.00 H new ATOM 0 HA ARG A2671 -2.819 8.086 -8.001 1.00 0.00 H new ATOM 0 HB2 ARG A2671 -0.557 6.345 -8.908 1.00 0.00 H new ATOM 0 HB3 ARG A2671 -1.985 6.422 -9.921 1.00 0.00 H new ATOM 0 HG2 ARG A2671 -0.914 8.206 -10.838 1.00 0.00 H new ATOM 0 HG3 ARG A2671 -1.632 9.072 -9.495 1.00 0.00 H new ATOM 0 HD2 ARG A2671 0.391 9.526 -8.613 1.00 0.00 H new ATOM 0 HD3 ARG A2671 0.831 7.830 -8.612 1.00 0.00 H new ATOM 0 HE ARG A2671 1.047 8.805 -11.289 1.00 0.00 H new ATOM 0 HH11 ARG A2671 2.575 9.140 -8.119 1.00 0.00 H new ATOM 0 HH12 ARG A2671 4.157 9.539 -8.798 1.00 0.00 H new ATOM 0 HH21 ARG A2671 3.082 9.318 -12.147 1.00 0.00 H new ATOM 0 HH22 ARG A2671 4.442 9.639 -11.066 1.00 0.00 H new ATOM 672 N TRP A2672 -2.794 4.810 -7.574 1.00 0.00 N ATOM 673 CA TRP A2672 -3.636 3.638 -7.445 1.00 0.00 C ATOM 674 C TRP A2672 -4.661 3.831 -6.340 1.00 0.00 C ATOM 675 O TRP A2672 -5.834 3.498 -6.507 1.00 0.00 O ATOM 676 CB TRP A2672 -2.776 2.415 -7.154 1.00 0.00 C ATOM 677 CG TRP A2672 -3.538 1.127 -7.144 1.00 0.00 C ATOM 678 CD1 TRP A2672 -3.551 0.179 -8.124 1.00 0.00 C ATOM 679 CD2 TRP A2672 -4.381 0.635 -6.095 1.00 0.00 C ATOM 680 NE1 TRP A2672 -4.349 -0.874 -7.751 1.00 0.00 N ATOM 681 CE2 TRP A2672 -4.869 -0.618 -6.510 1.00 0.00 C ATOM 682 CE3 TRP A2672 -4.771 1.130 -4.845 1.00 0.00 C ATOM 683 CZ2 TRP A2672 -5.723 -1.380 -5.720 1.00 0.00 C ATOM 684 CZ3 TRP A2672 -5.619 0.369 -4.064 1.00 0.00 C ATOM 685 CH2 TRP A2672 -6.086 -0.875 -4.505 1.00 0.00 C ATOM 0 H TRP A2672 -1.797 4.627 -7.459 1.00 0.00 H new ATOM 0 HA TRP A2672 -4.169 3.487 -8.384 1.00 0.00 H new ATOM 0 HB2 TRP A2672 -1.986 2.352 -7.902 1.00 0.00 H new ATOM 0 HB3 TRP A2672 -2.290 2.546 -6.187 1.00 0.00 H new ATOM 0 HD1 TRP A2672 -3.012 0.247 -9.058 1.00 0.00 H new ATOM 0 HE1 TRP A2672 -4.526 -1.710 -8.307 1.00 0.00 H new ATOM 0 HE3 TRP A2672 -4.416 2.089 -4.498 1.00 0.00 H new ATOM 0 HZ2 TRP A2672 -6.087 -2.339 -6.057 1.00 0.00 H new ATOM 0 HZ3 TRP A2672 -5.927 0.740 -3.097 1.00 0.00 H new ATOM 0 HH2 TRP A2672 -6.747 -1.447 -3.871 1.00 0.00 H new ATOM 696 N LEU A2673 -4.220 4.377 -5.210 1.00 0.00 N ATOM 697 CA LEU A2673 -5.126 4.609 -4.101 1.00 0.00 C ATOM 698 C LEU A2673 -6.219 5.577 -4.520 1.00 0.00 C ATOM 699 O LEU A2673 -7.405 5.272 -4.390 1.00 0.00 O ATOM 700 CB LEU A2673 -4.375 5.136 -2.886 1.00 0.00 C ATOM 701 CG LEU A2673 -4.026 4.057 -1.866 1.00 0.00 C ATOM 702 CD1 LEU A2673 -5.292 3.450 -1.281 1.00 0.00 C ATOM 703 CD2 LEU A2673 -3.166 2.978 -2.510 1.00 0.00 C ATOM 0 H LEU A2673 -3.255 4.662 -5.044 1.00 0.00 H new ATOM 0 HA LEU A2673 -5.585 3.660 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A2673 -3.457 5.619 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A2673 -4.980 5.901 -2.400 1.00 0.00 H new ATOM 0 HG LEU A2673 -3.458 4.515 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A2673 -5.025 2.682 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A2673 -5.875 4.228 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A2673 -5.885 3.004 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A2673 -2.925 2.215 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A2673 -3.712 2.523 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A2673 -2.245 3.423 -2.886 1.00 0.00 H new ATOM 715 N GLU A2674 -5.829 6.745 -5.032 1.00 0.00 N ATOM 716 CA GLU A2674 -6.812 7.728 -5.469 1.00 0.00 C ATOM 717 C GLU A2674 -7.810 7.078 -6.423 1.00 0.00 C ATOM 718 O GLU A2674 -8.980 7.457 -6.476 1.00 0.00 O ATOM 719 CB GLU A2674 -6.122 8.932 -6.131 1.00 0.00 C ATOM 720 CG GLU A2674 -5.624 8.678 -7.547 1.00 0.00 C ATOM 721 CD GLU A2674 -5.671 9.923 -8.410 1.00 0.00 C ATOM 722 OE1 GLU A2674 -6.778 10.459 -8.619 1.00 0.00 O ATOM 723 OE2 GLU A2674 -4.598 10.360 -8.879 1.00 0.00 O ATOM 0 H GLU A2674 -4.856 7.027 -5.152 1.00 0.00 H new ATOM 0 HA GLU A2674 -7.354 8.094 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A2674 -6.820 9.769 -6.150 1.00 0.00 H new ATOM 0 HB3 GLU A2674 -5.278 9.236 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A2674 -4.600 8.305 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A2674 -6.230 7.897 -8.007 1.00 0.00 H new ATOM 730 N GLU A2675 -7.330 6.088 -7.171 1.00 0.00 N ATOM 731 CA GLU A2675 -8.159 5.366 -8.126 1.00 0.00 C ATOM 732 C GLU A2675 -9.016 4.314 -7.426 1.00 0.00 C ATOM 733 O GLU A2675 -10.087 3.952 -7.912 1.00 0.00 O ATOM 734 CB GLU A2675 -7.277 4.701 -9.185 1.00 0.00 C ATOM 735 CG GLU A2675 -7.291 5.418 -10.526 1.00 0.00 C ATOM 736 CD GLU A2675 -7.802 4.542 -11.653 1.00 0.00 C ATOM 737 OE1 GLU A2675 -7.024 4.271 -12.593 1.00 0.00 O ATOM 738 OE2 GLU A2675 -8.977 4.127 -11.597 1.00 0.00 O ATOM 0 H GLU A2675 -6.363 5.767 -7.132 1.00 0.00 H new ATOM 0 HA GLU A2675 -8.825 6.082 -8.607 1.00 0.00 H new ATOM 0 HB2 GLU A2675 -6.252 4.657 -8.817 1.00 0.00 H new ATOM 0 HB3 GLU A2675 -7.609 3.673 -9.329 1.00 0.00 H new ATOM 0 HG2 GLU A2675 -7.916 6.308 -10.451 1.00 0.00 H new ATOM 0 HG3 GLU A2675 -6.282 5.756 -10.763 1.00 0.00 H new ATOM 745 N ASN A2676 -8.542 3.823 -6.282 1.00 0.00 N ATOM 746 CA ASN A2676 -9.275 2.813 -5.526 1.00 0.00 C ATOM 747 C ASN A2676 -9.653 3.338 -4.142 1.00 0.00 C ATOM 748 O ASN A2676 -9.027 2.988 -3.142 1.00 0.00 O ATOM 749 CB ASN A2676 -8.438 1.540 -5.393 1.00 0.00 C ATOM 750 CG ASN A2676 -8.102 0.925 -6.738 1.00 0.00 C ATOM 751 OD1 ASN A2676 -8.872 0.133 -7.282 1.00 0.00 O ATOM 752 ND2 ASN A2676 -6.947 1.288 -7.282 1.00 0.00 N ATOM 0 H ASN A2676 -7.658 4.108 -5.861 1.00 0.00 H new ATOM 0 HA ASN A2676 -10.191 2.581 -6.068 1.00 0.00 H new ATOM 0 HB2 ASN A2676 -7.515 1.770 -4.861 1.00 0.00 H new ATOM 0 HB3 ASN A2676 -8.981 0.813 -4.790 1.00 0.00 H new ATOM 0 HD21 ASN A2676 -6.667 0.908 -8.186 1.00 0.00 H new ATOM 0 HD22 ASN A2676 -6.339 1.947 -6.796 1.00 0.00 H new ATOM 759 N PRO A2677 -10.689 4.193 -4.069 1.00 0.00 N ATOM 760 CA PRO A2677 -11.151 4.774 -2.804 1.00 0.00 C ATOM 761 C PRO A2677 -11.715 3.731 -1.843 1.00 0.00 C ATOM 762 O PRO A2677 -11.763 3.953 -0.634 1.00 0.00 O ATOM 763 CB PRO A2677 -12.250 5.750 -3.233 1.00 0.00 C ATOM 764 CG PRO A2677 -12.705 5.255 -4.562 1.00 0.00 C ATOM 765 CD PRO A2677 -11.489 4.661 -5.215 1.00 0.00 C ATOM 0 HA PRO A2677 -10.331 5.243 -2.260 1.00 0.00 H new ATOM 0 HB2 PRO A2677 -13.070 5.763 -2.514 1.00 0.00 H new ATOM 0 HB3 PRO A2677 -11.869 6.769 -3.300 1.00 0.00 H new ATOM 0 HG2 PRO A2677 -13.494 4.510 -4.453 1.00 0.00 H new ATOM 0 HG3 PRO A2677 -13.114 6.067 -5.163 1.00 0.00 H new ATOM 0 HD2 PRO A2677 -11.751 3.842 -5.885 1.00 0.00 H new ATOM 0 HD3 PRO A2677 -10.949 5.399 -5.809 1.00 0.00 H new ATOM 773 N GLU A2678 -12.143 2.594 -2.384 1.00 0.00 N ATOM 774 CA GLU A2678 -12.704 1.528 -1.563 1.00 0.00 C ATOM 775 C GLU A2678 -11.613 0.597 -1.047 1.00 0.00 C ATOM 776 O GLU A2678 -11.894 -0.354 -0.317 1.00 0.00 O ATOM 777 CB GLU A2678 -13.721 0.715 -2.365 1.00 0.00 C ATOM 778 CG GLU A2678 -14.637 1.557 -3.238 1.00 0.00 C ATOM 779 CD GLU A2678 -16.000 1.777 -2.613 1.00 0.00 C ATOM 780 OE1 GLU A2678 -16.057 2.326 -1.493 1.00 0.00 O ATOM 781 OE2 GLU A2678 -17.010 1.400 -3.243 1.00 0.00 O ATOM 0 H GLU A2678 -12.112 2.388 -3.383 1.00 0.00 H new ATOM 0 HA GLU A2678 -13.199 1.995 -0.712 1.00 0.00 H new ATOM 0 HB2 GLU A2678 -13.186 0.005 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU A2678 -14.330 0.132 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A2678 -14.167 2.523 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A2678 -14.760 1.070 -4.205 1.00 0.00 H new ATOM 788 N PHE A2679 -10.370 0.859 -1.438 1.00 0.00 N ATOM 789 CA PHE A2679 -9.257 0.021 -1.019 1.00 0.00 C ATOM 790 C PHE A2679 -8.301 0.754 -0.090 1.00 0.00 C ATOM 791 O PHE A2679 -8.268 1.984 -0.043 1.00 0.00 O ATOM 792 CB PHE A2679 -8.496 -0.491 -2.238 1.00 0.00 C ATOM 793 CG PHE A2679 -9.064 -1.762 -2.788 1.00 0.00 C ATOM 794 CD1 PHE A2679 -8.429 -2.971 -2.565 1.00 0.00 C ATOM 795 CD2 PHE A2679 -10.239 -1.748 -3.519 1.00 0.00 C ATOM 796 CE1 PHE A2679 -8.954 -4.146 -3.061 1.00 0.00 C ATOM 797 CE2 PHE A2679 -10.769 -2.919 -4.021 1.00 0.00 C ATOM 798 CZ PHE A2679 -10.125 -4.123 -3.791 1.00 0.00 C ATOM 0 H PHE A2679 -10.111 1.640 -2.041 1.00 0.00 H new ATOM 0 HA PHE A2679 -9.678 -0.818 -0.465 1.00 0.00 H new ATOM 0 HB2 PHE A2679 -8.509 0.273 -3.015 1.00 0.00 H new ATOM 0 HB3 PHE A2679 -7.453 -0.653 -1.967 1.00 0.00 H new ATOM 0 HD1 PHE A2679 -7.511 -2.995 -1.996 1.00 0.00 H new ATOM 0 HD2 PHE A2679 -10.746 -0.811 -3.698 1.00 0.00 H new ATOM 0 HE1 PHE A2679 -8.449 -5.083 -2.878 1.00 0.00 H new ATOM 0 HE2 PHE A2679 -11.685 -2.896 -4.593 1.00 0.00 H new ATOM 0 HZ PHE A2679 -10.538 -5.041 -4.182 1.00 0.00 H new ATOM 808 N ALA A2680 -7.520 -0.029 0.638 1.00 0.00 N ATOM 809 CA ALA A2680 -6.537 0.494 1.571 1.00 0.00 C ATOM 810 C ALA A2680 -5.303 -0.398 1.562 1.00 0.00 C ATOM 811 O ALA A2680 -5.286 -1.414 0.871 1.00 0.00 O ATOM 812 CB ALA A2680 -7.135 0.596 2.964 1.00 0.00 C ATOM 0 H ALA A2680 -7.551 -1.048 0.597 1.00 0.00 H new ATOM 0 HA ALA A2680 -6.240 1.497 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A2680 -6.387 0.989 3.653 1.00 0.00 H new ATOM 0 HB2 ALA A2680 -7.996 1.264 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A2680 -7.451 -0.392 3.297 1.00 0.00 H new ATOM 818 N VAL A2681 -4.261 -0.025 2.296 1.00 0.00 N ATOM 819 CA VAL A2681 -3.039 -0.825 2.312 1.00 0.00 C ATOM 820 C VAL A2681 -2.917 -1.682 3.567 1.00 0.00 C ATOM 821 O VAL A2681 -3.370 -1.298 4.642 1.00 0.00 O ATOM 822 CB VAL A2681 -1.788 0.058 2.216 1.00 0.00 C ATOM 823 CG1 VAL A2681 -0.595 -0.786 1.826 1.00 0.00 C ATOM 824 CG2 VAL A2681 -1.996 1.196 1.226 1.00 0.00 C ATOM 0 H VAL A2681 -4.235 0.811 2.879 1.00 0.00 H new ATOM 0 HA VAL A2681 -3.107 -1.477 1.441 1.00 0.00 H new ATOM 0 HB VAL A2681 -1.599 0.504 3.193 1.00 0.00 H new ATOM 0 HG11 VAL A2681 0.291 -0.155 1.759 1.00 0.00 H new ATOM 0 HG12 VAL A2681 -0.434 -1.558 2.578 1.00 0.00 H new ATOM 0 HG13 VAL A2681 -0.781 -1.254 0.859 1.00 0.00 H new ATOM 0 HG21 VAL A2681 -1.094 1.806 1.178 1.00 0.00 H new ATOM 0 HG22 VAL A2681 -2.209 0.785 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A2681 -2.834 1.813 1.551 1.00 0.00 H new ATOM 834 N ALA A2682 -2.318 -2.864 3.410 1.00 0.00 N ATOM 835 CA ALA A2682 -2.153 -3.800 4.519 1.00 0.00 C ATOM 836 C ALA A2682 -1.534 -3.128 5.751 1.00 0.00 C ATOM 837 O ALA A2682 -0.818 -2.133 5.638 1.00 0.00 O ATOM 838 CB ALA A2682 -1.298 -4.979 4.078 1.00 0.00 C ATOM 0 H ALA A2682 -1.939 -3.194 2.523 1.00 0.00 H new ATOM 0 HA ALA A2682 -3.144 -4.154 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A2682 -1.179 -5.673 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A2682 -1.783 -5.489 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A2682 -0.319 -4.620 3.762 1.00 0.00 H new ATOM 844 N PRO A2683 -1.827 -3.670 6.951 1.00 0.00 N ATOM 845 CA PRO A2683 -1.330 -3.137 8.231 1.00 0.00 C ATOM 846 C PRO A2683 0.183 -2.919 8.257 1.00 0.00 C ATOM 847 O PRO A2683 0.649 -1.822 8.555 1.00 0.00 O ATOM 848 CB PRO A2683 -1.728 -4.211 9.258 1.00 0.00 C ATOM 849 CG PRO A2683 -2.169 -5.393 8.459 1.00 0.00 C ATOM 850 CD PRO A2683 -2.682 -4.845 7.161 1.00 0.00 C ATOM 0 HA PRO A2683 -1.753 -2.152 8.429 1.00 0.00 H new ATOM 0 HB2 PRO A2683 -0.887 -4.466 9.903 1.00 0.00 H new ATOM 0 HB3 PRO A2683 -2.530 -3.855 9.905 1.00 0.00 H new ATOM 0 HG2 PRO A2683 -1.341 -6.082 8.292 1.00 0.00 H new ATOM 0 HG3 PRO A2683 -2.946 -5.950 8.982 1.00 0.00 H new ATOM 0 HD2 PRO A2683 -2.586 -5.567 6.350 1.00 0.00 H new ATOM 0 HD3 PRO A2683 -3.736 -4.574 7.223 1.00 0.00 H new ATOM 858 N ASP A2684 0.949 -3.964 7.950 1.00 0.00 N ATOM 859 CA ASP A2684 2.409 -3.862 7.952 1.00 0.00 C ATOM 860 C ASP A2684 2.879 -2.929 6.842 1.00 0.00 C ATOM 861 O ASP A2684 4.018 -2.429 6.845 1.00 0.00 O ATOM 862 CB ASP A2684 3.039 -5.245 7.776 1.00 0.00 C ATOM 863 CG ASP A2684 2.666 -6.196 8.896 1.00 0.00 C ATOM 864 OD1 ASP A2684 3.585 -6.749 9.536 1.00 0.00 O ATOM 865 OD2 ASP A2684 1.455 -6.386 9.135 1.00 0.00 O ATOM 0 H ASP A2684 0.588 -4.884 7.699 1.00 0.00 H new ATOM 0 HA ASP A2684 2.724 -3.451 8.911 1.00 0.00 H new ATOM 0 HB2 ASP A2684 2.721 -5.668 6.823 1.00 0.00 H new ATOM 0 HB3 ASP A2684 4.124 -5.145 7.734 1.00 0.00 H new ATOM 870 N TRP A2685 1.974 -2.645 5.922 1.00 0.00 N ATOM 871 CA TRP A2685 2.269 -1.744 4.842 1.00 0.00 C ATOM 872 C TRP A2685 1.888 -0.326 5.236 1.00 0.00 C ATOM 873 O TRP A2685 2.239 0.630 4.559 1.00 0.00 O ATOM 874 CB TRP A2685 1.578 -2.211 3.568 1.00 0.00 C ATOM 875 CG TRP A2685 2.292 -3.376 2.960 1.00 0.00 C ATOM 876 CD1 TRP A2685 1.983 -4.697 3.108 1.00 0.00 C ATOM 877 CD2 TRP A2685 3.461 -3.327 2.134 1.00 0.00 C ATOM 878 NE1 TRP A2685 2.886 -5.470 2.426 1.00 0.00 N ATOM 879 CE2 TRP A2685 3.803 -4.654 1.817 1.00 0.00 C ATOM 880 CE3 TRP A2685 4.250 -2.288 1.630 1.00 0.00 C ATOM 881 CZ2 TRP A2685 4.900 -4.971 1.020 1.00 0.00 C ATOM 882 CZ3 TRP A2685 5.339 -2.604 0.838 1.00 0.00 C ATOM 883 CH2 TRP A2685 5.654 -3.935 0.539 1.00 0.00 C ATOM 0 H TRP A2685 1.030 -3.030 5.909 1.00 0.00 H new ATOM 0 HA TRP A2685 3.340 -1.743 4.637 1.00 0.00 H new ATOM 0 HB2 TRP A2685 0.548 -2.489 3.791 1.00 0.00 H new ATOM 0 HB3 TRP A2685 1.539 -1.391 2.851 1.00 0.00 H new ATOM 0 HD1 TRP A2685 1.149 -5.078 3.679 1.00 0.00 H new ATOM 0 HE1 TRP A2685 2.877 -6.489 2.379 1.00 0.00 H new ATOM 0 HE3 TRP A2685 4.013 -1.259 1.855 1.00 0.00 H new ATOM 0 HZ2 TRP A2685 5.147 -5.997 0.790 1.00 0.00 H new ATOM 0 HZ3 TRP A2685 5.957 -1.811 0.444 1.00 0.00 H new ATOM 0 HH2 TRP A2685 6.510 -4.149 -0.084 1.00 0.00 H new ATOM 894 N THR A2686 1.219 -0.192 6.380 1.00 0.00 N ATOM 895 CA THR A2686 0.869 1.116 6.894 1.00 0.00 C ATOM 896 C THR A2686 2.159 1.780 7.344 1.00 0.00 C ATOM 897 O THR A2686 2.419 2.948 7.051 1.00 0.00 O ATOM 898 CB THR A2686 -0.129 1.006 8.061 1.00 0.00 C ATOM 899 OG1 THR A2686 -0.935 2.165 8.152 1.00 0.00 O ATOM 900 CG2 THR A2686 0.519 0.826 9.414 1.00 0.00 C ATOM 0 H THR A2686 0.913 -0.973 6.960 1.00 0.00 H new ATOM 0 HA THR A2686 0.380 1.710 6.122 1.00 0.00 H new ATOM 0 HB THR A2686 -0.714 0.116 7.828 1.00 0.00 H new ATOM 0 HG1 THR A2686 -1.562 2.070 8.900 1.00 0.00 H new ATOM 0 HG21 THR A2686 -0.253 0.757 10.181 1.00 0.00 H new ATOM 0 HG22 THR A2686 1.113 -0.088 9.414 1.00 0.00 H new ATOM 0 HG23 THR A2686 1.165 1.679 9.625 1.00 0.00 H new ATOM 908 N ASP A2687 2.983 0.990 8.033 1.00 0.00 N ATOM 909 CA ASP A2687 4.270 1.459 8.503 1.00 0.00 C ATOM 910 C ASP A2687 5.226 1.553 7.326 1.00 0.00 C ATOM 911 O ASP A2687 5.852 2.592 7.111 1.00 0.00 O ATOM 912 CB ASP A2687 4.829 0.515 9.571 1.00 0.00 C ATOM 913 CG ASP A2687 5.112 1.227 10.879 1.00 0.00 C ATOM 914 OD1 ASP A2687 4.211 1.259 11.745 1.00 0.00 O ATOM 915 OD2 ASP A2687 6.234 1.753 11.039 1.00 0.00 O ATOM 0 H ASP A2687 2.774 0.021 8.274 1.00 0.00 H new ATOM 0 HA ASP A2687 4.151 2.444 8.954 1.00 0.00 H new ATOM 0 HB2 ASP A2687 4.118 -0.293 9.746 1.00 0.00 H new ATOM 0 HB3 ASP A2687 5.747 0.057 9.203 1.00 0.00 H new ATOM 920 N ILE A2688 5.334 0.472 6.541 1.00 0.00 N ATOM 921 CA ILE A2688 6.213 0.484 5.378 1.00 0.00 C ATOM 922 C ILE A2688 5.854 1.643 4.443 1.00 0.00 C ATOM 923 O ILE A2688 6.689 2.502 4.153 1.00 0.00 O ATOM 924 CB ILE A2688 6.133 -0.853 4.608 1.00 0.00 C ATOM 925 CG1 ILE A2688 6.643 -2.000 5.483 1.00 0.00 C ATOM 926 CG2 ILE A2688 6.923 -0.785 3.308 1.00 0.00 C ATOM 927 CD1 ILE A2688 6.379 -3.372 4.899 1.00 0.00 C ATOM 0 H ILE A2688 4.832 -0.403 6.691 1.00 0.00 H new ATOM 0 HA ILE A2688 7.234 0.618 5.735 1.00 0.00 H new ATOM 0 HB ILE A2688 5.088 -1.038 4.358 1.00 0.00 H new ATOM 0 HG12 ILE A2688 7.715 -1.880 5.636 1.00 0.00 H new ATOM 0 HG13 ILE A2688 6.172 -1.935 6.464 1.00 0.00 H new ATOM 0 HG21 ILE A2688 6.849 -1.740 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A2688 6.517 0.005 2.677 1.00 0.00 H new ATOM 0 HG23 ILE A2688 7.969 -0.572 3.529 1.00 0.00 H new ATOM 0 HD11 ILE A2688 6.768 -4.135 5.573 1.00 0.00 H new ATOM 0 HD12 ILE A2688 5.306 -3.513 4.772 1.00 0.00 H new ATOM 0 HD13 ILE A2688 6.873 -3.457 3.931 1.00 0.00 H new ATOM 939 N VAL A2689 4.604 1.670 3.983 1.00 0.00 N ATOM 940 CA VAL A2689 4.146 2.731 3.093 1.00 0.00 C ATOM 941 C VAL A2689 4.390 4.099 3.723 1.00 0.00 C ATOM 942 O VAL A2689 4.800 5.041 3.046 1.00 0.00 O ATOM 943 CB VAL A2689 2.655 2.583 2.727 1.00 0.00 C ATOM 944 CG1 VAL A2689 2.160 3.803 1.965 1.00 0.00 C ATOM 945 CG2 VAL A2689 2.432 1.324 1.903 1.00 0.00 C ATOM 0 H VAL A2689 3.895 0.973 4.211 1.00 0.00 H new ATOM 0 HA VAL A2689 4.723 2.645 2.172 1.00 0.00 H new ATOM 0 HB VAL A2689 2.086 2.502 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A2689 1.106 3.675 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A2689 2.282 4.692 2.583 1.00 0.00 H new ATOM 0 HG13 VAL A2689 2.736 3.917 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A2689 1.375 1.235 1.653 1.00 0.00 H new ATOM 0 HG22 VAL A2689 3.018 1.381 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A2689 2.743 0.452 2.479 1.00 0.00 H new ATOM 955 N LYS A2690 4.148 4.211 5.025 1.00 0.00 N ATOM 956 CA LYS A2690 4.369 5.474 5.716 1.00 0.00 C ATOM 957 C LYS A2690 5.787 5.974 5.450 1.00 0.00 C ATOM 958 O LYS A2690 5.990 7.125 5.065 1.00 0.00 O ATOM 959 CB LYS A2690 4.138 5.314 7.222 1.00 0.00 C ATOM 960 CG LYS A2690 2.793 5.845 7.691 1.00 0.00 C ATOM 961 CD LYS A2690 2.906 6.534 9.043 1.00 0.00 C ATOM 962 CE LYS A2690 1.540 6.762 9.670 1.00 0.00 C ATOM 963 NZ LYS A2690 1.497 6.313 11.089 1.00 0.00 N ATOM 0 H LYS A2690 3.804 3.454 5.615 1.00 0.00 H new ATOM 0 HA LYS A2690 3.657 6.206 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A2690 4.213 4.258 7.483 1.00 0.00 H new ATOM 0 HB3 LYS A2690 4.932 5.833 7.760 1.00 0.00 H new ATOM 0 HG2 LYS A2690 2.401 6.547 6.955 1.00 0.00 H new ATOM 0 HG3 LYS A2690 2.080 5.023 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A2690 3.517 5.927 9.711 1.00 0.00 H new ATOM 0 HD3 LYS A2690 3.416 7.490 8.924 1.00 0.00 H new ATOM 0 HE2 LYS A2690 1.289 7.821 9.617 1.00 0.00 H new ATOM 0 HE3 LYS A2690 0.784 6.226 9.097 1.00 0.00 H new ATOM 0 HZ1 LYS A2690 0.549 6.486 11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A2690 1.712 5.297 11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A2690 2.201 6.842 11.642 1.00 0.00 H new ATOM 977 N GLN A2691 6.763 5.083 5.620 1.00 0.00 N ATOM 978 CA GLN A2691 8.164 5.400 5.362 1.00 0.00 C ATOM 979 C GLN A2691 8.453 5.459 3.857 1.00 0.00 C ATOM 980 O GLN A2691 9.492 5.966 3.434 1.00 0.00 O ATOM 981 CB GLN A2691 9.066 4.352 6.020 1.00 0.00 C ATOM 982 CG GLN A2691 9.145 4.478 7.534 1.00 0.00 C ATOM 983 CD GLN A2691 8.346 3.408 8.250 1.00 0.00 C ATOM 984 OE1 GLN A2691 7.428 3.708 9.014 1.00 0.00 O ATOM 985 NE2 GLN A2691 8.691 2.148 8.007 1.00 0.00 N ATOM 0 H GLN A2691 6.605 4.127 5.939 1.00 0.00 H new ATOM 0 HA GLN A2691 8.372 6.381 5.788 1.00 0.00 H new ATOM 0 HB2 GLN A2691 8.699 3.358 5.766 1.00 0.00 H new ATOM 0 HB3 GLN A2691 10.070 4.437 5.604 1.00 0.00 H new ATOM 0 HG2 GLN A2691 10.188 4.418 7.846 1.00 0.00 H new ATOM 0 HG3 GLN A2691 8.779 5.460 7.833 1.00 0.00 H new ATOM 0 HE21 GLN A2691 9.458 1.944 7.367 1.00 0.00 H new ATOM 0 HE22 GLN A2691 8.189 1.385 8.461 1.00 0.00 H new ATOM 994 N SER A2692 7.532 4.915 3.062 1.00 0.00 N ATOM 995 CA SER A2692 7.675 4.874 1.604 1.00 0.00 C ATOM 996 C SER A2692 8.100 6.209 1.015 1.00 0.00 C ATOM 997 O SER A2692 8.862 6.257 0.052 1.00 0.00 O ATOM 998 CB SER A2692 6.349 4.458 0.956 1.00 0.00 C ATOM 999 OG SER A2692 5.563 5.598 0.589 1.00 0.00 O ATOM 0 H SER A2692 6.670 4.492 3.406 1.00 0.00 H new ATOM 0 HA SER A2692 8.458 4.146 1.392 1.00 0.00 H new ATOM 0 HB2 SER A2692 6.549 3.853 0.072 1.00 0.00 H new ATOM 0 HB3 SER A2692 5.785 3.833 1.649 1.00 0.00 H new ATOM 0 HG SER A2692 4.976 5.844 1.334 1.00 0.00 H new ATOM 1005 N GLY A2693 7.596 7.289 1.581 1.00 0.00 N ATOM 1006 CA GLY A2693 7.926 8.599 1.064 1.00 0.00 C ATOM 1007 C GLY A2693 7.177 8.912 -0.226 1.00 0.00 C ATOM 1008 O GLY A2693 7.102 10.069 -0.636 1.00 0.00 O ATOM 0 H GLY A2693 6.968 7.285 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A2693 7.688 9.354 1.813 1.00 0.00 H new ATOM 0 HA3 GLY A2693 8.999 8.657 0.883 1.00 0.00 H new ATOM 1012 N PHE A2694 6.606 7.879 -0.864 1.00 0.00 N ATOM 1013 CA PHE A2694 5.853 8.071 -2.100 1.00 0.00 C ATOM 1014 C PHE A2694 4.412 8.411 -1.795 1.00 0.00 C ATOM 1015 O PHE A2694 3.742 9.064 -2.595 1.00 0.00 O ATOM 1016 CB PHE A2694 5.868 6.824 -2.989 1.00 0.00 C ATOM 1017 CG PHE A2694 7.194 6.144 -3.078 1.00 0.00 C ATOM 1018 CD1 PHE A2694 7.603 5.316 -2.060 1.00 0.00 C ATOM 1019 CD2 PHE A2694 8.026 6.328 -4.172 1.00 0.00 C ATOM 1020 CE1 PHE A2694 8.821 4.676 -2.116 1.00 0.00 C ATOM 1021 CE2 PHE A2694 9.250 5.689 -4.238 1.00 0.00 C ATOM 1022 CZ PHE A2694 9.649 4.863 -3.206 1.00 0.00 C ATOM 0 H PHE A2694 6.654 6.912 -0.543 1.00 0.00 H new ATOM 0 HA PHE A2694 6.339 8.890 -2.631 1.00 0.00 H new ATOM 0 HB2 PHE A2694 5.134 6.113 -2.609 1.00 0.00 H new ATOM 0 HB3 PHE A2694 5.550 7.105 -3.993 1.00 0.00 H new ATOM 0 HD1 PHE A2694 6.961 5.165 -1.205 1.00 0.00 H new ATOM 0 HD2 PHE A2694 7.715 6.975 -4.979 1.00 0.00 H new ATOM 0 HE1 PHE A2694 9.129 4.028 -1.308 1.00 0.00 H new ATOM 0 HE2 PHE A2694 9.892 5.835 -5.094 1.00 0.00 H new ATOM 0 HZ PHE A2694 10.606 4.364 -3.251 1.00 0.00 H new ATOM 1032 N VAL A2695 3.918 7.972 -0.638 1.00 0.00 N ATOM 1033 CA VAL A2695 2.537 8.257 -0.271 1.00 0.00 C ATOM 1034 C VAL A2695 2.451 9.430 0.704 1.00 0.00 C ATOM 1035 O VAL A2695 3.223 9.508 1.660 1.00 0.00 O ATOM 1036 CB VAL A2695 1.867 7.029 0.373 1.00 0.00 C ATOM 1037 CG1 VAL A2695 0.372 7.253 0.518 1.00 0.00 C ATOM 1038 CG2 VAL A2695 2.147 5.778 -0.442 1.00 0.00 C ATOM 0 H VAL A2695 4.443 7.429 0.047 1.00 0.00 H new ATOM 0 HA VAL A2695 2.014 8.515 -1.192 1.00 0.00 H new ATOM 0 HB VAL A2695 2.290 6.888 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A2695 -0.085 6.375 0.975 1.00 0.00 H new ATOM 0 HG12 VAL A2695 0.194 8.124 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A2695 -0.068 7.421 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A2695 1.665 4.921 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A2695 1.754 5.906 -1.451 1.00 0.00 H new ATOM 0 HG23 VAL A2695 3.223 5.608 -0.490 1.00 0.00 H new ATOM 1048 N PRO A2696 1.502 10.360 0.481 1.00 0.00 N ATOM 1049 CA PRO A2696 1.322 11.522 1.355 1.00 0.00 C ATOM 1050 C PRO A2696 0.785 11.126 2.723 1.00 0.00 C ATOM 1051 O PRO A2696 -0.157 10.340 2.827 1.00 0.00 O ATOM 1052 CB PRO A2696 0.308 12.385 0.604 1.00 0.00 C ATOM 1053 CG PRO A2696 -0.446 11.427 -0.252 1.00 0.00 C ATOM 1054 CD PRO A2696 0.530 10.347 -0.629 1.00 0.00 C ATOM 0 HA PRO A2696 2.262 12.036 1.554 1.00 0.00 H new ATOM 0 HB2 PRO A2696 -0.356 12.906 1.294 1.00 0.00 H new ATOM 0 HB3 PRO A2696 0.805 13.146 0.003 1.00 0.00 H new ATOM 0 HG2 PRO A2696 -1.298 11.012 0.286 1.00 0.00 H new ATOM 0 HG3 PRO A2696 -0.840 11.923 -1.139 1.00 0.00 H new ATOM 0 HD2 PRO A2696 0.040 9.378 -0.722 1.00 0.00 H new ATOM 0 HD3 PRO A2696 1.010 10.555 -1.585 1.00 0.00 H new ATOM 1062 N GLU A2697 1.396 11.666 3.773 1.00 0.00 N ATOM 1063 CA GLU A2697 0.983 11.356 5.137 1.00 0.00 C ATOM 1064 C GLU A2697 -0.516 11.563 5.328 1.00 0.00 C ATOM 1065 O GLU A2697 -1.131 10.939 6.190 1.00 0.00 O ATOM 1066 CB GLU A2697 1.757 12.204 6.147 1.00 0.00 C ATOM 1067 CG GLU A2697 1.985 13.633 5.693 1.00 0.00 C ATOM 1068 CD GLU A2697 2.023 14.615 6.848 1.00 0.00 C ATOM 1069 OE1 GLU A2697 2.877 14.445 7.743 1.00 0.00 O ATOM 1070 OE2 GLU A2697 1.199 15.554 6.856 1.00 0.00 O ATOM 0 H GLU A2697 2.177 12.319 3.706 1.00 0.00 H new ATOM 0 HA GLU A2697 1.208 10.304 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A2697 1.214 12.214 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A2697 2.722 11.734 6.339 1.00 0.00 H new ATOM 0 HG2 GLU A2697 2.924 13.690 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A2697 1.193 13.921 5.002 1.00 0.00 H new ATOM 1077 N SER A2698 -1.103 12.435 4.518 1.00 0.00 N ATOM 1078 CA SER A2698 -2.531 12.706 4.606 1.00 0.00 C ATOM 1079 C SER A2698 -3.333 11.453 4.275 1.00 0.00 C ATOM 1080 O SER A2698 -4.402 11.219 4.840 1.00 0.00 O ATOM 1081 CB SER A2698 -2.919 13.841 3.656 1.00 0.00 C ATOM 1082 OG SER A2698 -2.886 15.094 4.318 1.00 0.00 O ATOM 0 H SER A2698 -0.614 12.964 3.796 1.00 0.00 H new ATOM 0 HA SER A2698 -2.759 13.009 5.628 1.00 0.00 H new ATOM 0 HB2 SER A2698 -2.237 13.857 2.806 1.00 0.00 H new ATOM 0 HB3 SER A2698 -3.918 13.662 3.259 1.00 0.00 H new ATOM 0 HG SER A2698 -3.136 15.803 3.689 1.00 0.00 H new ATOM 1088 N MET A2699 -2.808 10.649 3.356 1.00 0.00 N ATOM 1089 CA MET A2699 -3.472 9.415 2.948 1.00 0.00 C ATOM 1090 C MET A2699 -3.116 8.256 3.878 1.00 0.00 C ATOM 1091 O MET A2699 -3.608 7.141 3.703 1.00 0.00 O ATOM 1092 CB MET A2699 -3.096 9.056 1.510 1.00 0.00 C ATOM 1093 CG MET A2699 -4.161 9.427 0.491 1.00 0.00 C ATOM 1094 SD MET A2699 -4.452 8.121 -0.719 1.00 0.00 S ATOM 1095 CE MET A2699 -3.265 8.561 -1.985 1.00 0.00 C ATOM 0 H MET A2699 -1.924 10.829 2.879 1.00 0.00 H new ATOM 0 HA MET A2699 -4.547 9.585 3.008 1.00 0.00 H new ATOM 0 HB2 MET A2699 -2.165 9.560 1.250 1.00 0.00 H new ATOM 0 HB3 MET A2699 -2.905 7.984 1.450 1.00 0.00 H new ATOM 0 HG2 MET A2699 -5.093 9.650 1.010 1.00 0.00 H new ATOM 0 HG3 MET A2699 -3.860 10.337 -0.028 1.00 0.00 H new ATOM 0 HE1 MET A2699 -3.518 8.050 -2.914 1.00 0.00 H new ATOM 0 HE2 MET A2699 -3.287 9.639 -2.146 1.00 0.00 H new ATOM 0 HE3 MET A2699 -2.266 8.262 -1.667 1.00 0.00 H new ATOM 1105 N PHE A2700 -2.268 8.519 4.871 1.00 0.00 N ATOM 1106 CA PHE A2700 -1.869 7.484 5.821 1.00 0.00 C ATOM 1107 C PHE A2700 -3.089 6.885 6.522 1.00 0.00 C ATOM 1108 O PHE A2700 -3.019 5.791 7.082 1.00 0.00 O ATOM 1109 CB PHE A2700 -0.897 8.054 6.862 1.00 0.00 C ATOM 1110 CG PHE A2700 0.514 8.255 6.361 1.00 0.00 C ATOM 1111 CD1 PHE A2700 0.890 7.862 5.081 1.00 0.00 C ATOM 1112 CD2 PHE A2700 1.470 8.836 7.181 1.00 0.00 C ATOM 1113 CE1 PHE A2700 2.185 8.045 4.636 1.00 0.00 C ATOM 1114 CE2 PHE A2700 2.766 9.021 6.739 1.00 0.00 C ATOM 1115 CZ PHE A2700 3.125 8.624 5.466 1.00 0.00 C ATOM 0 H PHE A2700 -1.847 9.433 5.037 1.00 0.00 H new ATOM 0 HA PHE A2700 -1.367 6.694 5.263 1.00 0.00 H new ATOM 0 HB2 PHE A2700 -1.283 9.010 7.215 1.00 0.00 H new ATOM 0 HB3 PHE A2700 -0.871 7.384 7.721 1.00 0.00 H new ATOM 0 HD1 PHE A2700 0.160 7.408 4.427 1.00 0.00 H new ATOM 0 HD2 PHE A2700 1.198 9.148 8.178 1.00 0.00 H new ATOM 0 HE1 PHE A2700 2.462 7.735 3.639 1.00 0.00 H new ATOM 0 HE2 PHE A2700 3.498 9.476 7.389 1.00 0.00 H new ATOM 0 HZ PHE A2700 4.138 8.766 5.120 1.00 0.00 H new