USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=9 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= -3.36 K(o=-7.5,f=-17!) USER MOD Set 1.2: A2654 ASN : amide:sc= -4.12 K(o=-7.5,f=-19!) USER MOD Single : A2639 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2640 THR OG1 : rot 4:sc= 0.679 USER MOD Single : A2642 THR OG1 : rot -46:sc= 0.337 USER MOD Single : A2652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2656 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2657 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2658 MET CE :methyl -150:sc= -0.876 (180deg=-2.04!) USER MOD Single : A2666 MET CE :methyl 149:sc= -9.16! (180deg=-13.2!) USER MOD Single : A2667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2676 ASN : amide:sc= -0.997 X(o=-1,f=-1.1) USER MOD Single : A2686 THR OG1 : rot 180:sc= 0 USER MOD Single : A2690 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.514) USER MOD Single : A2691 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.49) USER MOD Single : A2692 SER OG : rot -89:sc= 1.04 USER MOD Single : A2698 SER OG : rot 180:sc= 0 USER MOD Single : A2699 MET CE :methyl 141:sc= -1.55 (180deg=-2.8) USER MOD ----------------------------------------------------------------- ATOM 140 N ILE A2638 11.507 -5.002 3.029 1.00 0.00 N ATOM 141 CA ILE A2638 11.079 -3.615 3.000 1.00 0.00 C ATOM 142 C ILE A2638 12.091 -2.683 2.329 1.00 0.00 C ATOM 143 O ILE A2638 11.779 -1.524 2.074 1.00 0.00 O ATOM 144 CB ILE A2638 10.781 -3.100 4.418 1.00 0.00 C ATOM 145 CG1 ILE A2638 11.931 -3.433 5.366 1.00 0.00 C ATOM 146 CG2 ILE A2638 9.475 -3.688 4.931 1.00 0.00 C ATOM 147 CD1 ILE A2638 12.053 -2.463 6.519 1.00 0.00 C ATOM 0 HA ILE A2638 10.170 -3.601 2.399 1.00 0.00 H new ATOM 0 HB ILE A2638 10.679 -2.016 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A2638 11.789 -4.439 5.760 1.00 0.00 H new ATOM 0 HG13 ILE A2638 12.865 -3.440 4.805 1.00 0.00 H new ATOM 0 HG21 ILE A2638 9.278 -3.314 5.936 1.00 0.00 H new ATOM 0 HG22 ILE A2638 8.660 -3.397 4.269 1.00 0.00 H new ATOM 0 HG23 ILE A2638 9.551 -4.775 4.957 1.00 0.00 H new ATOM 0 HD11 ILE A2638 12.889 -2.756 7.154 1.00 0.00 H new ATOM 0 HD12 ILE A2638 12.226 -1.459 6.133 1.00 0.00 H new ATOM 0 HD13 ILE A2638 11.132 -2.474 7.103 1.00 0.00 H new ATOM 159 N ASN A2639 13.303 -3.153 2.062 1.00 0.00 N ATOM 160 CA ASN A2639 14.314 -2.301 1.438 1.00 0.00 C ATOM 161 C ASN A2639 13.977 -1.983 -0.022 1.00 0.00 C ATOM 162 O ASN A2639 14.455 -0.989 -0.568 1.00 0.00 O ATOM 163 CB ASN A2639 15.687 -2.969 1.517 1.00 0.00 C ATOM 164 CG ASN A2639 16.312 -2.843 2.892 1.00 0.00 C ATOM 165 OD1 ASN A2639 17.073 -1.913 3.157 1.00 0.00 O ATOM 166 ND2 ASN A2639 15.992 -3.782 3.775 1.00 0.00 N ATOM 0 H ASN A2639 13.610 -4.105 2.263 1.00 0.00 H new ATOM 0 HA ASN A2639 14.330 -1.360 1.988 1.00 0.00 H new ATOM 0 HB2 ASN A2639 15.590 -4.024 1.260 1.00 0.00 H new ATOM 0 HB3 ASN A2639 16.350 -2.520 0.777 1.00 0.00 H new ATOM 0 HD21 ASN A2639 16.382 -3.750 4.717 1.00 0.00 H new ATOM 0 HD22 ASN A2639 15.357 -4.535 3.511 1.00 0.00 H new ATOM 173 N THR A2640 13.175 -2.835 -0.658 1.00 0.00 N ATOM 174 CA THR A2640 12.811 -2.636 -2.065 1.00 0.00 C ATOM 175 C THR A2640 11.728 -1.563 -2.250 1.00 0.00 C ATOM 176 O THR A2640 11.102 -1.468 -3.322 1.00 0.00 O ATOM 177 CB THR A2640 12.366 -3.959 -2.696 1.00 0.00 C ATOM 178 OG1 THR A2640 11.719 -3.733 -3.935 1.00 0.00 O ATOM 179 CG2 THR A2640 11.423 -4.757 -1.828 1.00 0.00 C ATOM 0 H THR A2640 12.766 -3.665 -0.228 1.00 0.00 H new ATOM 0 HA THR A2640 13.705 -2.277 -2.575 1.00 0.00 H new ATOM 0 HB THR A2640 13.284 -4.533 -2.826 1.00 0.00 H new ATOM 0 HG1 THR A2640 11.750 -2.777 -4.151 1.00 0.00 H new ATOM 0 HG21 THR A2640 11.151 -5.680 -2.340 1.00 0.00 H new ATOM 0 HG22 THR A2640 11.912 -4.996 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A2640 10.524 -4.172 -1.633 1.00 0.00 H new ATOM 187 N LEU A2641 11.499 -0.742 -1.224 1.00 0.00 N ATOM 188 CA LEU A2641 10.504 0.310 -1.312 1.00 0.00 C ATOM 189 C LEU A2641 11.038 1.517 -2.072 1.00 0.00 C ATOM 190 O LEU A2641 10.612 2.637 -1.822 1.00 0.00 O ATOM 191 CB LEU A2641 10.082 0.764 0.080 1.00 0.00 C ATOM 192 CG LEU A2641 9.600 -0.334 1.019 1.00 0.00 C ATOM 193 CD1 LEU A2641 9.692 0.148 2.458 1.00 0.00 C ATOM 194 CD2 LEU A2641 8.179 -0.747 0.676 1.00 0.00 C ATOM 0 H LEU A2641 11.989 -0.790 -0.331 1.00 0.00 H new ATOM 0 HA LEU A2641 9.648 -0.101 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A2641 10.926 1.271 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A2641 9.286 1.501 -0.025 1.00 0.00 H new ATOM 0 HG LEU A2641 10.238 -1.210 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A2641 9.347 -0.639 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A2641 10.727 0.396 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A2641 9.068 1.033 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A2641 7.854 -1.532 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A2641 7.517 0.114 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A2641 8.145 -1.119 -0.348 1.00 0.00 H new ATOM 206 N THR A2642 11.967 1.300 -2.997 1.00 0.00 N ATOM 207 CA THR A2642 12.524 2.401 -3.770 1.00 0.00 C ATOM 208 C THR A2642 11.577 2.796 -4.901 1.00 0.00 C ATOM 209 O THR A2642 11.990 3.423 -5.877 1.00 0.00 O ATOM 210 CB THR A2642 13.893 2.018 -4.338 1.00 0.00 C ATOM 211 OG1 THR A2642 14.581 3.166 -4.801 1.00 0.00 O ATOM 212 CG2 THR A2642 13.814 1.037 -5.488 1.00 0.00 C ATOM 0 H THR A2642 12.346 0.381 -3.227 1.00 0.00 H new ATOM 0 HA THR A2642 12.648 3.256 -3.106 1.00 0.00 H new ATOM 0 HB THR A2642 14.424 1.542 -3.513 1.00 0.00 H new ATOM 0 HG1 THR A2642 13.974 3.717 -5.337 1.00 0.00 H new ATOM 0 HG21 THR A2642 14.820 0.809 -5.842 1.00 0.00 H new ATOM 0 HG22 THR A2642 13.332 0.119 -5.151 1.00 0.00 H new ATOM 0 HG23 THR A2642 13.234 1.475 -6.300 1.00 0.00 H new ATOM 220 N GLY A2643 10.305 2.417 -4.771 1.00 0.00 N ATOM 221 CA GLY A2643 9.331 2.731 -5.792 1.00 0.00 C ATOM 222 C GLY A2643 8.869 1.490 -6.525 1.00 0.00 C ATOM 223 O GLY A2643 7.763 1.458 -7.069 1.00 0.00 O ATOM 0 H GLY A2643 9.937 1.898 -3.974 1.00 0.00 H new ATOM 0 HA2 GLY A2643 8.473 3.225 -5.337 1.00 0.00 H new ATOM 0 HA3 GLY A2643 9.763 3.434 -6.504 1.00 0.00 H new ATOM 227 N GLU A2644 9.735 0.475 -6.546 1.00 0.00 N ATOM 228 CA GLU A2644 9.451 -0.780 -7.233 1.00 0.00 C ATOM 229 C GLU A2644 8.619 -1.751 -6.390 1.00 0.00 C ATOM 230 O GLU A2644 7.900 -2.582 -6.946 1.00 0.00 O ATOM 231 CB GLU A2644 10.761 -1.455 -7.651 1.00 0.00 C ATOM 232 CG GLU A2644 11.082 -1.297 -9.129 1.00 0.00 C ATOM 233 CD GLU A2644 11.566 -2.586 -9.763 1.00 0.00 C ATOM 234 OE1 GLU A2644 10.809 -3.175 -10.563 1.00 0.00 O ATOM 235 OE2 GLU A2644 12.702 -3.008 -9.460 1.00 0.00 O ATOM 0 H GLU A2644 10.647 0.502 -6.089 1.00 0.00 H new ATOM 0 HA GLU A2644 8.856 -0.529 -8.111 1.00 0.00 H new ATOM 0 HB2 GLU A2644 11.579 -1.038 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A2644 10.706 -2.517 -7.411 1.00 0.00 H new ATOM 0 HG2 GLU A2644 10.193 -0.950 -9.655 1.00 0.00 H new ATOM 0 HG3 GLU A2644 11.845 -0.528 -9.251 1.00 0.00 H new ATOM 242 N GLU A2645 8.696 -1.665 -5.058 1.00 0.00 N ATOM 243 CA GLU A2645 7.918 -2.567 -4.205 1.00 0.00 C ATOM 244 C GLU A2645 6.440 -2.597 -4.602 1.00 0.00 C ATOM 245 O GLU A2645 5.886 -1.598 -5.057 1.00 0.00 O ATOM 246 CB GLU A2645 8.040 -2.146 -2.741 1.00 0.00 C ATOM 247 CG GLU A2645 9.001 -3.008 -1.948 1.00 0.00 C ATOM 248 CD GLU A2645 8.421 -4.367 -1.607 1.00 0.00 C ATOM 249 OE1 GLU A2645 7.520 -4.828 -2.339 1.00 0.00 O ATOM 250 OE2 GLU A2645 8.869 -4.970 -0.609 1.00 0.00 O ATOM 0 H GLU A2645 9.277 -0.994 -4.556 1.00 0.00 H new ATOM 0 HA GLU A2645 8.326 -3.569 -4.339 1.00 0.00 H new ATOM 0 HB2 GLU A2645 8.371 -1.108 -2.695 1.00 0.00 H new ATOM 0 HB3 GLU A2645 7.056 -2.188 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU A2645 9.919 -3.142 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A2645 9.272 -2.491 -1.027 1.00 0.00 H new ATOM 257 N ARG A2646 5.811 -3.755 -4.408 1.00 0.00 N ATOM 258 CA ARG A2646 4.396 -3.929 -4.729 1.00 0.00 C ATOM 259 C ARG A2646 3.563 -3.976 -3.448 1.00 0.00 C ATOM 260 O ARG A2646 3.423 -5.026 -2.822 1.00 0.00 O ATOM 261 CB ARG A2646 4.184 -5.209 -5.536 1.00 0.00 C ATOM 262 CG ARG A2646 4.778 -5.150 -6.934 1.00 0.00 C ATOM 263 CD ARG A2646 3.838 -4.459 -7.909 1.00 0.00 C ATOM 264 NE ARG A2646 3.919 -5.035 -9.250 1.00 0.00 N ATOM 265 CZ ARG A2646 3.437 -4.445 -10.340 1.00 0.00 C ATOM 266 NH1 ARG A2646 2.840 -3.263 -10.255 1.00 0.00 N ATOM 267 NH2 ARG A2646 3.551 -5.040 -11.520 1.00 0.00 N ATOM 0 H ARG A2646 6.261 -4.588 -4.029 1.00 0.00 H new ATOM 0 HA ARG A2646 4.073 -3.079 -5.330 1.00 0.00 H new ATOM 0 HB2 ARG A2646 4.627 -6.046 -4.997 1.00 0.00 H new ATOM 0 HB3 ARG A2646 3.115 -5.408 -5.612 1.00 0.00 H new ATOM 0 HG2 ARG A2646 5.729 -4.618 -6.904 1.00 0.00 H new ATOM 0 HG3 ARG A2646 4.989 -6.161 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG A2646 2.814 -4.537 -7.542 1.00 0.00 H new ATOM 0 HD3 ARG A2646 4.080 -3.397 -7.955 1.00 0.00 H new ATOM 0 HE ARG A2646 4.372 -5.943 -9.356 1.00 0.00 H new ATOM 0 HH11 ARG A2646 2.749 -2.802 -9.350 1.00 0.00 H new ATOM 0 HH12 ARG A2646 2.472 -2.816 -11.095 1.00 0.00 H new ATOM 0 HH21 ARG A2646 4.008 -5.949 -11.591 1.00 0.00 H new ATOM 0 HH22 ARG A2646 3.182 -4.588 -12.357 1.00 0.00 H new ATOM 281 N VAL A2647 3.045 -2.820 -3.052 1.00 0.00 N ATOM 282 CA VAL A2647 2.258 -2.704 -1.826 1.00 0.00 C ATOM 283 C VAL A2647 0.877 -3.358 -1.935 1.00 0.00 C ATOM 284 O VAL A2647 0.048 -2.941 -2.742 1.00 0.00 O ATOM 285 CB VAL A2647 2.065 -1.233 -1.436 1.00 0.00 C ATOM 286 CG1 VAL A2647 1.513 -1.131 -0.028 1.00 0.00 C ATOM 287 CG2 VAL A2647 3.371 -0.467 -1.563 1.00 0.00 C ATOM 0 H VAL A2647 3.155 -1.944 -3.563 1.00 0.00 H new ATOM 0 HA VAL A2647 2.828 -3.232 -1.061 1.00 0.00 H new ATOM 0 HB VAL A2647 1.345 -0.784 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL A2647 1.381 -0.082 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A2647 0.552 -1.642 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A2647 2.209 -1.596 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A2647 3.211 0.574 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A2647 4.118 -0.910 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A2647 3.722 -0.514 -2.594 1.00 0.00 H new ATOM 297 N PRO A2648 0.605 -4.385 -1.097 1.00 0.00 N ATOM 298 CA PRO A2648 -0.686 -5.088 -1.077 1.00 0.00 C ATOM 299 C PRO A2648 -1.821 -4.210 -0.555 1.00 0.00 C ATOM 300 O PRO A2648 -1.656 -3.471 0.422 1.00 0.00 O ATOM 301 CB PRO A2648 -0.456 -6.264 -0.115 1.00 0.00 C ATOM 302 CG PRO A2648 1.019 -6.333 0.089 1.00 0.00 C ATOM 303 CD PRO A2648 1.524 -4.932 -0.095 1.00 0.00 C ATOM 0 HA PRO A2648 -0.985 -5.391 -2.080 1.00 0.00 H new ATOM 0 HB2 PRO A2648 -0.975 -6.105 0.830 1.00 0.00 H new ATOM 0 HB3 PRO A2648 -0.837 -7.195 -0.535 1.00 0.00 H new ATOM 0 HG2 PRO A2648 1.259 -6.707 1.084 1.00 0.00 H new ATOM 0 HG3 PRO A2648 1.481 -7.012 -0.627 1.00 0.00 H new ATOM 0 HD2 PRO A2648 1.492 -4.365 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A2648 2.557 -4.917 -0.442 1.00 0.00 H new ATOM 311 N VAL A2649 -2.977 -4.300 -1.208 1.00 0.00 N ATOM 312 CA VAL A2649 -4.143 -3.519 -0.816 1.00 0.00 C ATOM 313 C VAL A2649 -5.321 -4.414 -0.455 1.00 0.00 C ATOM 314 O VAL A2649 -5.568 -5.430 -1.106 1.00 0.00 O ATOM 315 CB VAL A2649 -4.568 -2.558 -1.943 1.00 0.00 C ATOM 316 CG1 VAL A2649 -3.453 -1.570 -2.247 1.00 0.00 C ATOM 317 CG2 VAL A2649 -4.952 -3.340 -3.194 1.00 0.00 C ATOM 0 H VAL A2649 -3.129 -4.908 -2.013 1.00 0.00 H new ATOM 0 HA VAL A2649 -3.856 -2.943 0.064 1.00 0.00 H new ATOM 0 HB VAL A2649 -5.441 -1.997 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A2649 -3.769 -0.899 -3.045 1.00 0.00 H new ATOM 0 HG12 VAL A2649 -3.227 -0.989 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A2649 -2.562 -2.113 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A2649 -5.250 -2.646 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A2649 -4.098 -3.927 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A2649 -5.783 -4.007 -2.965 1.00 0.00 H new ATOM 327 N VAL A2650 -6.054 -4.022 0.583 1.00 0.00 N ATOM 328 CA VAL A2650 -7.217 -4.780 1.026 1.00 0.00 C ATOM 329 C VAL A2650 -8.478 -3.931 0.936 1.00 0.00 C ATOM 330 O VAL A2650 -8.512 -2.795 1.413 1.00 0.00 O ATOM 331 CB VAL A2650 -7.075 -5.302 2.477 1.00 0.00 C ATOM 332 CG1 VAL A2650 -7.279 -6.808 2.524 1.00 0.00 C ATOM 333 CG2 VAL A2650 -5.727 -4.927 3.079 1.00 0.00 C ATOM 0 H VAL A2650 -5.862 -3.184 1.132 1.00 0.00 H new ATOM 0 HA VAL A2650 -7.289 -5.640 0.360 1.00 0.00 H new ATOM 0 HB VAL A2650 -7.849 -4.824 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A2650 -7.176 -7.157 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A2650 -8.276 -7.052 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A2650 -6.532 -7.296 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A2650 -5.664 -5.310 4.097 1.00 0.00 H new ATOM 0 HG22 VAL A2650 -4.927 -5.360 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A2650 -5.624 -3.842 3.093 1.00 0.00 H new ATOM 343 N ASN A2651 -9.514 -4.493 0.325 1.00 0.00 N ATOM 344 CA ASN A2651 -10.783 -3.792 0.179 1.00 0.00 C ATOM 345 C ASN A2651 -11.425 -3.573 1.541 1.00 0.00 C ATOM 346 O ASN A2651 -11.526 -4.494 2.350 1.00 0.00 O ATOM 347 CB ASN A2651 -11.741 -4.570 -0.723 1.00 0.00 C ATOM 348 CG ASN A2651 -12.968 -3.755 -1.089 1.00 0.00 C ATOM 349 OD1 ASN A2651 -13.607 -3.156 -0.227 1.00 0.00 O ATOM 350 ND2 ASN A2651 -13.303 -3.726 -2.373 1.00 0.00 N ATOM 0 H ASN A2651 -9.500 -5.431 -0.077 1.00 0.00 H new ATOM 0 HA ASN A2651 -10.580 -2.826 -0.284 1.00 0.00 H new ATOM 0 HB2 ASN A2651 -11.220 -4.869 -1.633 1.00 0.00 H new ATOM 0 HB3 ASN A2651 -12.051 -5.485 -0.218 1.00 0.00 H new ATOM 0 HD21 ASN A2651 -14.118 -3.192 -2.676 1.00 0.00 H new ATOM 0 HD22 ASN A2651 -12.746 -4.237 -3.057 1.00 0.00 H new ATOM 357 N LYS A2652 -11.833 -2.340 1.791 1.00 0.00 N ATOM 358 CA LYS A2652 -12.442 -1.976 3.062 1.00 0.00 C ATOM 359 C LYS A2652 -13.815 -2.619 3.253 1.00 0.00 C ATOM 360 O LYS A2652 -14.251 -2.824 4.386 1.00 0.00 O ATOM 361 CB LYS A2652 -12.564 -0.454 3.160 1.00 0.00 C ATOM 362 CG LYS A2652 -11.339 0.291 2.648 1.00 0.00 C ATOM 363 CD LYS A2652 -10.610 1.008 3.775 1.00 0.00 C ATOM 364 CE LYS A2652 -10.866 2.506 3.741 1.00 0.00 C ATOM 365 NZ LYS A2652 -9.816 3.265 4.475 1.00 0.00 N ATOM 0 H LYS A2652 -11.753 -1.570 1.127 1.00 0.00 H new ATOM 0 HA LYS A2652 -11.794 -2.351 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A2652 -13.438 -0.131 2.594 1.00 0.00 H new ATOM 0 HB3 LYS A2652 -12.738 -0.178 4.200 1.00 0.00 H new ATOM 0 HG2 LYS A2652 -10.661 -0.412 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A2652 -11.642 1.015 1.891 1.00 0.00 H new ATOM 0 HD2 LYS A2652 -10.934 0.604 4.734 1.00 0.00 H new ATOM 0 HD3 LYS A2652 -9.539 0.819 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A2652 -10.902 2.845 2.706 1.00 0.00 H new ATOM 0 HE3 LYS A2652 -11.841 2.718 4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A2652 -10.027 4.282 4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A2652 -9.798 2.960 5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A2652 -8.889 3.083 4.041 1.00 0.00 H new ATOM 379 N ARG A2653 -14.510 -2.909 2.157 1.00 0.00 N ATOM 380 CA ARG A2653 -15.846 -3.494 2.242 1.00 0.00 C ATOM 381 C ARG A2653 -15.839 -5.017 2.103 1.00 0.00 C ATOM 382 O ARG A2653 -16.286 -5.728 3.003 1.00 0.00 O ATOM 383 CB ARG A2653 -16.742 -2.892 1.159 1.00 0.00 C ATOM 384 CG ARG A2653 -17.387 -1.576 1.563 1.00 0.00 C ATOM 385 CD ARG A2653 -17.987 -0.857 0.366 1.00 0.00 C ATOM 386 NE ARG A2653 -19.158 -1.554 -0.163 1.00 0.00 N ATOM 387 CZ ARG A2653 -19.111 -2.458 -1.141 1.00 0.00 C ATOM 388 NH1 ARG A2653 -17.954 -2.786 -1.703 1.00 0.00 N ATOM 389 NH2 ARG A2653 -20.228 -3.039 -1.559 1.00 0.00 N ATOM 0 H ARG A2653 -14.175 -2.751 1.207 1.00 0.00 H new ATOM 0 HA ARG A2653 -16.232 -3.260 3.234 1.00 0.00 H new ATOM 0 HB2 ARG A2653 -16.151 -2.735 0.257 1.00 0.00 H new ATOM 0 HB3 ARG A2653 -17.524 -3.608 0.907 1.00 0.00 H new ATOM 0 HG2 ARG A2653 -18.165 -1.763 2.303 1.00 0.00 H new ATOM 0 HG3 ARG A2653 -16.643 -0.936 2.037 1.00 0.00 H new ATOM 0 HD2 ARG A2653 -18.268 0.156 0.655 1.00 0.00 H new ATOM 0 HD3 ARG A2653 -17.234 -0.767 -0.417 1.00 0.00 H new ATOM 0 HE ARG A2653 -20.068 -1.335 0.242 1.00 0.00 H new ATOM 0 HH11 ARG A2653 -17.090 -2.345 -1.387 1.00 0.00 H new ATOM 0 HH12 ARG A2653 -17.929 -3.479 -2.451 1.00 0.00 H new ATOM 0 HH21 ARG A2653 -21.121 -2.794 -1.132 1.00 0.00 H new ATOM 0 HH22 ARG A2653 -20.194 -3.731 -2.307 1.00 0.00 H new ATOM 403 N ASN A2654 -15.363 -5.515 0.964 1.00 0.00 N ATOM 404 CA ASN A2654 -15.348 -6.959 0.718 1.00 0.00 C ATOM 405 C ASN A2654 -14.104 -7.640 1.289 1.00 0.00 C ATOM 406 O ASN A2654 -14.047 -8.867 1.354 1.00 0.00 O ATOM 407 CB ASN A2654 -15.480 -7.281 -0.781 1.00 0.00 C ATOM 408 CG ASN A2654 -14.987 -6.170 -1.689 1.00 0.00 C ATOM 409 OD1 ASN A2654 -15.358 -5.008 -1.528 1.00 0.00 O ATOM 410 ND2 ASN A2654 -14.156 -6.529 -2.660 1.00 0.00 N ATOM 0 H ASN A2654 -14.986 -4.949 0.203 1.00 0.00 H new ATOM 0 HA ASN A2654 -16.216 -7.359 1.241 1.00 0.00 H new ATOM 0 HB2 ASN A2654 -14.921 -8.191 -0.999 1.00 0.00 H new ATOM 0 HB3 ASN A2654 -16.526 -7.487 -1.009 1.00 0.00 H new ATOM 0 HD21 ASN A2654 -13.799 -5.829 -3.310 1.00 0.00 H new ATOM 0 HD22 ASN A2654 -13.875 -7.505 -2.756 1.00 0.00 H new ATOM 417 N GLY A2655 -13.117 -6.857 1.714 1.00 0.00 N ATOM 418 CA GLY A2655 -11.917 -7.441 2.283 1.00 0.00 C ATOM 419 C GLY A2655 -10.979 -8.029 1.243 1.00 0.00 C ATOM 420 O GLY A2655 -9.959 -8.622 1.594 1.00 0.00 O ATOM 0 H GLY A2655 -13.126 -5.838 1.675 1.00 0.00 H new ATOM 0 HA2 GLY A2655 -11.385 -6.678 2.851 1.00 0.00 H new ATOM 0 HA3 GLY A2655 -12.201 -8.222 2.988 1.00 0.00 H new ATOM 424 N LYS A2656 -11.310 -7.867 -0.039 1.00 0.00 N ATOM 425 CA LYS A2656 -10.468 -8.390 -1.114 1.00 0.00 C ATOM 426 C LYS A2656 -9.008 -8.019 -0.874 1.00 0.00 C ATOM 427 O LYS A2656 -8.674 -6.845 -0.739 1.00 0.00 O ATOM 428 CB LYS A2656 -10.930 -7.849 -2.467 1.00 0.00 C ATOM 429 CG LYS A2656 -10.351 -8.604 -3.655 1.00 0.00 C ATOM 430 CD LYS A2656 -11.425 -9.375 -4.408 1.00 0.00 C ATOM 431 CE LYS A2656 -10.853 -10.078 -5.627 1.00 0.00 C ATOM 432 NZ LYS A2656 -11.759 -11.151 -6.125 1.00 0.00 N ATOM 0 H LYS A2656 -12.149 -7.381 -0.356 1.00 0.00 H new ATOM 0 HA LYS A2656 -10.558 -9.476 -1.122 1.00 0.00 H new ATOM 0 HB2 LYS A2656 -12.018 -7.893 -2.514 1.00 0.00 H new ATOM 0 HB3 LYS A2656 -10.650 -6.798 -2.544 1.00 0.00 H new ATOM 0 HG2 LYS A2656 -9.865 -7.901 -4.332 1.00 0.00 H new ATOM 0 HG3 LYS A2656 -9.583 -9.295 -3.308 1.00 0.00 H new ATOM 0 HD2 LYS A2656 -11.881 -10.109 -3.744 1.00 0.00 H new ATOM 0 HD3 LYS A2656 -12.215 -8.691 -4.718 1.00 0.00 H new ATOM 0 HE2 LYS A2656 -10.683 -9.350 -6.420 1.00 0.00 H new ATOM 0 HE3 LYS A2656 -9.884 -10.509 -5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A2656 -11.333 -11.607 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A2656 -11.901 -11.860 -5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A2656 -12.676 -10.737 -6.388 1.00 0.00 H new ATOM 446 N LYS A2657 -8.146 -9.025 -0.812 1.00 0.00 N ATOM 447 CA LYS A2657 -6.725 -8.797 -0.575 1.00 0.00 C ATOM 448 C LYS A2657 -5.897 -9.102 -1.815 1.00 0.00 C ATOM 449 O LYS A2657 -6.041 -10.160 -2.428 1.00 0.00 O ATOM 450 CB LYS A2657 -6.240 -9.655 0.595 1.00 0.00 C ATOM 451 CG LYS A2657 -4.986 -9.116 1.266 1.00 0.00 C ATOM 452 CD LYS A2657 -3.828 -10.097 1.163 1.00 0.00 C ATOM 453 CE LYS A2657 -2.488 -9.383 1.229 1.00 0.00 C ATOM 454 NZ LYS A2657 -1.392 -10.294 1.659 1.00 0.00 N ATOM 0 H LYS A2657 -8.404 -10.006 -0.922 1.00 0.00 H new ATOM 0 HA LYS A2657 -6.595 -7.743 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A2657 -7.036 -9.728 1.336 1.00 0.00 H new ATOM 0 HB3 LYS A2657 -6.045 -10.666 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A2657 -4.704 -8.170 0.804 1.00 0.00 H new ATOM 0 HG3 LYS A2657 -5.195 -8.908 2.315 1.00 0.00 H new ATOM 0 HD2 LYS A2657 -3.894 -10.826 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A2657 -3.901 -10.651 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A2657 -2.250 -8.967 0.250 1.00 0.00 H new ATOM 0 HE3 LYS A2657 -2.557 -8.546 1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A2657 -0.496 -9.768 1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A2657 -1.605 -10.672 2.604 1.00 0.00 H new ATOM 0 HZ3 LYS A2657 -1.308 -11.080 0.983 1.00 0.00 H new ATOM 468 N MET A2658 -5.026 -8.169 -2.175 1.00 0.00 N ATOM 469 CA MET A2658 -4.165 -8.335 -3.338 1.00 0.00 C ATOM 470 C MET A2658 -2.748 -7.868 -3.031 1.00 0.00 C ATOM 471 O MET A2658 -2.476 -6.670 -2.978 1.00 0.00 O ATOM 472 CB MET A2658 -4.718 -7.560 -4.535 1.00 0.00 C ATOM 473 CG MET A2658 -6.236 -7.552 -4.615 1.00 0.00 C ATOM 474 SD MET A2658 -6.849 -6.754 -6.112 1.00 0.00 S ATOM 475 CE MET A2658 -6.637 -5.027 -5.686 1.00 0.00 C ATOM 0 H MET A2658 -4.897 -7.288 -1.677 1.00 0.00 H new ATOM 0 HA MET A2658 -4.139 -9.396 -3.587 1.00 0.00 H new ATOM 0 HB2 MET A2658 -4.361 -6.531 -4.486 1.00 0.00 H new ATOM 0 HB3 MET A2658 -4.318 -7.993 -5.452 1.00 0.00 H new ATOM 0 HG2 MET A2658 -6.603 -8.578 -4.578 1.00 0.00 H new ATOM 0 HG3 MET A2658 -6.639 -7.038 -3.743 1.00 0.00 H new ATOM 0 HE1 MET A2658 -7.396 -4.431 -6.193 1.00 0.00 H new ATOM 0 HE2 MET A2658 -6.739 -4.903 -4.608 1.00 0.00 H new ATOM 0 HE3 MET A2658 -5.647 -4.694 -5.997 1.00 0.00 H new ATOM 526 N ALA A2663 -0.975 -5.843 -6.961 1.00 0.00 N ATOM 527 CA ALA A2663 -0.987 -4.767 -5.977 1.00 0.00 C ATOM 528 C ALA A2663 -0.267 -3.523 -6.497 1.00 0.00 C ATOM 529 O ALA A2663 0.659 -3.617 -7.303 1.00 0.00 O ATOM 530 CB ALA A2663 -0.368 -5.239 -4.673 1.00 0.00 C ATOM 0 HA ALA A2663 -2.026 -4.492 -5.794 1.00 0.00 H new ATOM 0 HB1 ALA A2663 -0.384 -4.426 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A2663 -0.938 -6.083 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A2663 0.662 -5.548 -4.850 1.00 0.00 H new ATOM 536 N PRO A2664 -0.699 -2.333 -6.043 1.00 0.00 N ATOM 537 CA PRO A2664 -0.113 -1.050 -6.461 1.00 0.00 C ATOM 538 C PRO A2664 1.369 -0.913 -6.107 1.00 0.00 C ATOM 539 O PRO A2664 1.824 -1.424 -5.080 1.00 0.00 O ATOM 540 CB PRO A2664 -0.935 -0.011 -5.689 1.00 0.00 C ATOM 541 CG PRO A2664 -1.555 -0.762 -4.563 1.00 0.00 C ATOM 542 CD PRO A2664 -1.806 -2.142 -5.091 1.00 0.00 C ATOM 0 HA PRO A2664 -0.149 -0.938 -7.545 1.00 0.00 H new ATOM 0 HB2 PRO A2664 -0.303 0.798 -5.322 1.00 0.00 H new ATOM 0 HB3 PRO A2664 -1.695 0.442 -6.326 1.00 0.00 H new ATOM 0 HG2 PRO A2664 -0.893 -0.788 -3.697 1.00 0.00 H new ATOM 0 HG3 PRO A2664 -2.483 -0.290 -4.241 1.00 0.00 H new ATOM 0 HD2 PRO A2664 -1.790 -2.888 -4.297 1.00 0.00 H new ATOM 0 HD3 PRO A2664 -2.777 -2.218 -5.580 1.00 0.00 H new ATOM 550 N PRO A2665 2.143 -0.209 -6.957 1.00 0.00 N ATOM 551 CA PRO A2665 3.569 0.008 -6.742 1.00 0.00 C ATOM 552 C PRO A2665 3.849 1.257 -5.906 1.00 0.00 C ATOM 553 O PRO A2665 3.144 2.262 -6.007 1.00 0.00 O ATOM 554 CB PRO A2665 4.094 0.177 -8.162 1.00 0.00 C ATOM 555 CG PRO A2665 2.971 0.816 -8.910 1.00 0.00 C ATOM 556 CD PRO A2665 1.688 0.437 -8.203 1.00 0.00 C ATOM 0 HA PRO A2665 4.038 -0.804 -6.187 1.00 0.00 H new ATOM 0 HB2 PRO A2665 4.988 0.800 -8.182 1.00 0.00 H new ATOM 0 HB3 PRO A2665 4.365 -0.783 -8.600 1.00 0.00 H new ATOM 0 HG2 PRO A2665 3.092 1.899 -8.933 1.00 0.00 H new ATOM 0 HG3 PRO A2665 2.955 0.475 -9.945 1.00 0.00 H new ATOM 0 HD2 PRO A2665 1.073 1.313 -7.997 1.00 0.00 H new ATOM 0 HD3 PRO A2665 1.085 -0.241 -8.807 1.00 0.00 H new ATOM 564 N MET A2666 4.872 1.170 -5.066 1.00 0.00 N ATOM 565 CA MET A2666 5.253 2.267 -4.178 1.00 0.00 C ATOM 566 C MET A2666 5.231 3.634 -4.867 1.00 0.00 C ATOM 567 O MET A2666 4.626 4.578 -4.359 1.00 0.00 O ATOM 568 CB MET A2666 6.642 2.010 -3.596 1.00 0.00 C ATOM 569 CG MET A2666 6.732 2.274 -2.105 1.00 0.00 C ATOM 570 SD MET A2666 6.185 0.865 -1.128 1.00 0.00 S ATOM 571 CE MET A2666 5.309 1.690 0.197 1.00 0.00 C ATOM 0 H MET A2666 5.461 0.342 -4.979 1.00 0.00 H new ATOM 0 HA MET A2666 4.508 2.297 -3.383 1.00 0.00 H new ATOM 0 HB2 MET A2666 6.923 0.975 -3.791 1.00 0.00 H new ATOM 0 HB3 MET A2666 7.366 2.640 -4.113 1.00 0.00 H new ATOM 0 HG2 MET A2666 7.762 2.517 -1.843 1.00 0.00 H new ATOM 0 HG3 MET A2666 6.125 3.144 -1.855 1.00 0.00 H new ATOM 0 HE1 MET A2666 4.494 1.055 0.545 1.00 0.00 H new ATOM 0 HE2 MET A2666 5.995 1.884 1.021 1.00 0.00 H new ATOM 0 HE3 MET A2666 4.903 2.634 -0.167 1.00 0.00 H new ATOM 581 N LYS A2667 5.924 3.755 -5.997 1.00 0.00 N ATOM 582 CA LYS A2667 6.004 5.035 -6.705 1.00 0.00 C ATOM 583 C LYS A2667 4.668 5.490 -7.305 1.00 0.00 C ATOM 584 O LYS A2667 4.570 6.610 -7.806 1.00 0.00 O ATOM 585 CB LYS A2667 7.064 4.968 -7.803 1.00 0.00 C ATOM 586 CG LYS A2667 6.709 4.021 -8.938 1.00 0.00 C ATOM 587 CD LYS A2667 7.841 3.049 -9.225 1.00 0.00 C ATOM 588 CE LYS A2667 8.472 3.303 -10.585 1.00 0.00 C ATOM 589 NZ LYS A2667 8.197 2.194 -11.541 1.00 0.00 N ATOM 0 H LYS A2667 6.435 2.991 -6.441 1.00 0.00 H new ATOM 0 HA LYS A2667 6.281 5.777 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS A2667 7.217 5.968 -8.210 1.00 0.00 H new ATOM 0 HB3 LYS A2667 8.011 4.655 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A2667 5.807 3.465 -8.681 1.00 0.00 H new ATOM 0 HG3 LYS A2667 6.485 4.596 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS A2667 8.602 3.137 -8.449 1.00 0.00 H new ATOM 0 HD3 LYS A2667 7.462 2.028 -9.185 1.00 0.00 H new ATOM 0 HE2 LYS A2667 8.089 4.238 -10.994 1.00 0.00 H new ATOM 0 HE3 LYS A2667 9.549 3.423 -10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A2667 8.644 2.405 -12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A2667 8.585 1.306 -11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A2667 7.170 2.095 -11.672 1.00 0.00 H new ATOM 603 N ASP A2668 3.642 4.643 -7.262 1.00 0.00 N ATOM 604 CA ASP A2668 2.340 5.022 -7.819 1.00 0.00 C ATOM 605 C ASP A2668 1.193 4.749 -6.845 1.00 0.00 C ATOM 606 O ASP A2668 0.024 4.905 -7.196 1.00 0.00 O ATOM 607 CB ASP A2668 2.084 4.286 -9.135 1.00 0.00 C ATOM 608 CG ASP A2668 3.263 4.376 -10.086 1.00 0.00 C ATOM 609 OD1 ASP A2668 4.103 3.452 -10.079 1.00 0.00 O ATOM 610 OD2 ASP A2668 3.343 5.368 -10.839 1.00 0.00 O ATOM 0 H ASP A2668 3.681 3.708 -6.857 1.00 0.00 H new ATOM 0 HA ASP A2668 2.374 6.096 -8.002 1.00 0.00 H new ATOM 0 HB2 ASP A2668 1.868 3.238 -8.926 1.00 0.00 H new ATOM 0 HB3 ASP A2668 1.200 4.704 -9.616 1.00 0.00 H new ATOM 615 N LEU A2669 1.527 4.337 -5.627 1.00 0.00 N ATOM 616 CA LEU A2669 0.517 4.037 -4.610 1.00 0.00 C ATOM 617 C LEU A2669 -0.583 5.101 -4.544 1.00 0.00 C ATOM 618 O LEU A2669 -1.757 4.763 -4.460 1.00 0.00 O ATOM 619 CB LEU A2669 1.169 3.905 -3.232 1.00 0.00 C ATOM 620 CG LEU A2669 2.059 2.681 -3.043 1.00 0.00 C ATOM 621 CD1 LEU A2669 2.812 2.776 -1.724 1.00 0.00 C ATOM 622 CD2 LEU A2669 1.232 1.410 -3.093 1.00 0.00 C ATOM 0 H LEU A2669 2.489 4.202 -5.317 1.00 0.00 H new ATOM 0 HA LEU A2669 0.055 3.093 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A2669 1.764 4.798 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A2669 0.383 3.881 -2.478 1.00 0.00 H new ATOM 0 HG LEU A2669 2.785 2.650 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A2669 3.444 1.896 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A2669 3.433 3.672 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A2669 2.099 2.828 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A2669 1.883 0.547 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A2669 0.485 1.430 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A2669 0.733 1.339 -4.059 1.00 0.00 H new ATOM 634 N PRO A2670 -0.224 6.401 -4.560 1.00 0.00 N ATOM 635 CA PRO A2670 -1.207 7.495 -4.476 1.00 0.00 C ATOM 636 C PRO A2670 -2.155 7.545 -5.674 1.00 0.00 C ATOM 637 O PRO A2670 -3.310 7.966 -5.553 1.00 0.00 O ATOM 638 CB PRO A2670 -0.341 8.763 -4.437 1.00 0.00 C ATOM 639 CG PRO A2670 1.026 8.295 -4.071 1.00 0.00 C ATOM 640 CD PRO A2670 1.154 6.912 -4.636 1.00 0.00 C ATOM 0 HA PRO A2670 -1.856 7.372 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A2670 -0.338 9.267 -5.403 1.00 0.00 H new ATOM 0 HB3 PRO A2670 -0.721 9.477 -3.706 1.00 0.00 H new ATOM 0 HG2 PRO A2670 1.788 8.957 -4.482 1.00 0.00 H new ATOM 0 HG3 PRO A2670 1.160 8.289 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A2670 1.524 6.926 -5.661 1.00 0.00 H new ATOM 0 HD3 PRO A2670 1.845 6.300 -4.056 1.00 0.00 H new ATOM 648 N ARG A2671 -1.681 7.070 -6.816 1.00 0.00 N ATOM 649 CA ARG A2671 -2.505 7.038 -8.016 1.00 0.00 C ATOM 650 C ARG A2671 -3.522 5.919 -7.894 1.00 0.00 C ATOM 651 O ARG A2671 -4.724 6.118 -8.079 1.00 0.00 O ATOM 652 CB ARG A2671 -1.636 6.832 -9.259 1.00 0.00 C ATOM 653 CG ARG A2671 -0.812 8.053 -9.632 1.00 0.00 C ATOM 654 CD ARG A2671 -1.686 9.170 -10.183 1.00 0.00 C ATOM 655 NE ARG A2671 -1.427 9.420 -11.599 1.00 0.00 N ATOM 656 CZ ARG A2671 -1.786 10.533 -12.233 1.00 0.00 C ATOM 657 NH1 ARG A2671 -2.421 11.501 -11.582 1.00 0.00 N ATOM 658 NH2 ARG A2671 -1.508 10.680 -13.521 1.00 0.00 N ATOM 0 H ARG A2671 -0.737 6.704 -6.938 1.00 0.00 H new ATOM 0 HA ARG A2671 -3.024 7.991 -8.120 1.00 0.00 H new ATOM 0 HB2 ARG A2671 -0.966 5.990 -9.088 1.00 0.00 H new ATOM 0 HB3 ARG A2671 -2.276 6.565 -10.100 1.00 0.00 H new ATOM 0 HG2 ARG A2671 -0.273 8.411 -8.755 1.00 0.00 H new ATOM 0 HG3 ARG A2671 -0.064 7.775 -10.375 1.00 0.00 H new ATOM 0 HD2 ARG A2671 -2.736 8.910 -10.047 1.00 0.00 H new ATOM 0 HD3 ARG A2671 -1.508 10.083 -9.615 1.00 0.00 H new ATOM 0 HE ARG A2671 -0.942 8.699 -12.133 1.00 0.00 H new ATOM 0 HH11 ARG A2671 -2.636 11.393 -10.591 1.00 0.00 H new ATOM 0 HH12 ARG A2671 -2.694 12.352 -12.073 1.00 0.00 H new ATOM 0 HH21 ARG A2671 -1.019 9.940 -14.025 1.00 0.00 H new ATOM 0 HH22 ARG A2671 -1.783 11.533 -14.008 1.00 0.00 H new ATOM 672 N TRP A2672 -3.017 4.741 -7.566 1.00 0.00 N ATOM 673 CA TRP A2672 -3.844 3.564 -7.393 1.00 0.00 C ATOM 674 C TRP A2672 -4.778 3.722 -6.197 1.00 0.00 C ATOM 675 O TRP A2672 -5.916 3.256 -6.223 1.00 0.00 O ATOM 676 CB TRP A2672 -2.950 2.350 -7.190 1.00 0.00 C ATOM 677 CG TRP A2672 -3.691 1.054 -7.172 1.00 0.00 C ATOM 678 CD1 TRP A2672 -3.694 0.111 -8.151 1.00 0.00 C ATOM 679 CD2 TRP A2672 -4.518 0.551 -6.120 1.00 0.00 C ATOM 680 NE1 TRP A2672 -4.470 -0.958 -7.773 1.00 0.00 N ATOM 681 CE2 TRP A2672 -4.988 -0.710 -6.528 1.00 0.00 C ATOM 682 CE3 TRP A2672 -4.906 1.043 -4.871 1.00 0.00 C ATOM 683 CZ2 TRP A2672 -5.823 -1.484 -5.731 1.00 0.00 C ATOM 684 CZ3 TRP A2672 -5.736 0.274 -4.082 1.00 0.00 C ATOM 685 CH2 TRP A2672 -6.185 -0.978 -4.514 1.00 0.00 C ATOM 0 H TRP A2672 -2.022 4.577 -7.413 1.00 0.00 H new ATOM 0 HA TRP A2672 -4.455 3.432 -8.286 1.00 0.00 H new ATOM 0 HB2 TRP A2672 -2.205 2.321 -7.985 1.00 0.00 H new ATOM 0 HB3 TRP A2672 -2.409 2.462 -6.251 1.00 0.00 H new ATOM 0 HD1 TRP A2672 -3.164 0.190 -9.089 1.00 0.00 H new ATOM 0 HE1 TRP A2672 -4.634 -1.798 -8.328 1.00 0.00 H new ATOM 0 HE3 TRP A2672 -4.562 2.008 -4.529 1.00 0.00 H new ATOM 0 HZ2 TRP A2672 -6.173 -2.451 -6.061 1.00 0.00 H new ATOM 0 HZ3 TRP A2672 -6.044 0.645 -3.115 1.00 0.00 H new ATOM 0 HH2 TRP A2672 -6.832 -1.558 -3.872 1.00 0.00 H new ATOM 696 N LEU A2673 -4.292 4.384 -5.145 1.00 0.00 N ATOM 697 CA LEU A2673 -5.089 4.602 -3.944 1.00 0.00 C ATOM 698 C LEU A2673 -6.138 5.678 -4.164 1.00 0.00 C ATOM 699 O LEU A2673 -7.200 5.652 -3.543 1.00 0.00 O ATOM 700 CB LEU A2673 -4.202 4.961 -2.759 1.00 0.00 C ATOM 701 CG LEU A2673 -3.852 3.773 -1.868 1.00 0.00 C ATOM 702 CD1 LEU A2673 -5.106 3.216 -1.208 1.00 0.00 C ATOM 703 CD2 LEU A2673 -3.152 2.690 -2.678 1.00 0.00 C ATOM 0 H LEU A2673 -3.351 4.777 -5.104 1.00 0.00 H new ATOM 0 HA LEU A2673 -5.604 3.668 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A2673 -3.280 5.409 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A2673 -4.705 5.718 -2.158 1.00 0.00 H new ATOM 0 HG LEU A2673 -3.173 4.114 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A2673 -4.839 2.369 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A2673 -5.571 3.991 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A2673 -5.807 2.889 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU A2673 -2.909 1.849 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A2673 -3.810 2.351 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A2673 -2.235 3.093 -3.108 1.00 0.00 H new ATOM 715 N GLU A2674 -5.867 6.597 -5.087 1.00 0.00 N ATOM 716 CA GLU A2674 -6.835 7.632 -5.408 1.00 0.00 C ATOM 717 C GLU A2674 -7.873 7.048 -6.360 1.00 0.00 C ATOM 718 O GLU A2674 -9.021 7.491 -6.408 1.00 0.00 O ATOM 719 CB GLU A2674 -6.147 8.841 -6.044 1.00 0.00 C ATOM 720 CG GLU A2674 -5.768 9.920 -5.044 1.00 0.00 C ATOM 721 CD GLU A2674 -4.669 10.831 -5.556 1.00 0.00 C ATOM 722 OE1 GLU A2674 -3.668 11.017 -4.835 1.00 0.00 O ATOM 723 OE2 GLU A2674 -4.812 11.357 -6.680 1.00 0.00 O ATOM 0 H GLU A2674 -4.997 6.644 -5.617 1.00 0.00 H new ATOM 0 HA GLU A2674 -7.321 7.972 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU A2674 -5.249 8.506 -6.563 1.00 0.00 H new ATOM 0 HB3 GLU A2674 -6.808 9.271 -6.797 1.00 0.00 H new ATOM 0 HG2 GLU A2674 -6.649 10.517 -4.808 1.00 0.00 H new ATOM 0 HG3 GLU A2674 -5.443 9.451 -4.115 1.00 0.00 H new ATOM 730 N GLU A2675 -7.442 6.037 -7.114 1.00 0.00 N ATOM 731 CA GLU A2675 -8.294 5.353 -8.075 1.00 0.00 C ATOM 732 C GLU A2675 -9.116 4.249 -7.411 1.00 0.00 C ATOM 733 O GLU A2675 -10.159 3.851 -7.930 1.00 0.00 O ATOM 734 CB GLU A2675 -7.432 4.755 -9.189 1.00 0.00 C ATOM 735 CG GLU A2675 -7.498 5.532 -10.493 1.00 0.00 C ATOM 736 CD GLU A2675 -6.346 5.208 -11.424 1.00 0.00 C ATOM 737 OE1 GLU A2675 -6.604 4.929 -12.613 1.00 0.00 O ATOM 738 OE2 GLU A2675 -5.185 5.231 -10.963 1.00 0.00 O ATOM 0 H GLU A2675 -6.490 5.672 -7.072 1.00 0.00 H new ATOM 0 HA GLU A2675 -8.988 6.083 -8.492 1.00 0.00 H new ATOM 0 HB2 GLU A2675 -6.396 4.713 -8.853 1.00 0.00 H new ATOM 0 HB3 GLU A2675 -7.749 3.728 -9.371 1.00 0.00 H new ATOM 0 HG2 GLU A2675 -8.440 5.311 -10.996 1.00 0.00 H new ATOM 0 HG3 GLU A2675 -7.495 6.600 -10.276 1.00 0.00 H new ATOM 745 N ASN A2676 -8.644 3.749 -6.271 1.00 0.00 N ATOM 746 CA ASN A2676 -9.351 2.685 -5.563 1.00 0.00 C ATOM 747 C ASN A2676 -9.750 3.123 -4.155 1.00 0.00 C ATOM 748 O ASN A2676 -9.124 2.726 -3.171 1.00 0.00 O ATOM 749 CB ASN A2676 -8.484 1.427 -5.492 1.00 0.00 C ATOM 750 CG ASN A2676 -8.188 0.851 -6.863 1.00 0.00 C ATOM 751 OD1 ASN A2676 -8.972 0.070 -7.402 1.00 0.00 O ATOM 752 ND2 ASN A2676 -7.053 1.234 -7.435 1.00 0.00 N ATOM 0 H ASN A2676 -7.783 4.060 -5.821 1.00 0.00 H new ATOM 0 HA ASN A2676 -10.261 2.463 -6.120 1.00 0.00 H new ATOM 0 HB2 ASN A2676 -7.546 1.663 -4.990 1.00 0.00 H new ATOM 0 HB3 ASN A2676 -8.989 0.675 -4.886 1.00 0.00 H new ATOM 0 HD21 ASN A2676 -6.802 0.879 -8.358 1.00 0.00 H new ATOM 0 HD22 ASN A2676 -6.432 1.883 -6.952 1.00 0.00 H new ATOM 759 N PRO A2677 -10.808 3.943 -4.039 1.00 0.00 N ATOM 760 CA PRO A2677 -11.294 4.424 -2.742 1.00 0.00 C ATOM 761 C PRO A2677 -11.838 3.293 -1.875 1.00 0.00 C ATOM 762 O PRO A2677 -11.895 3.408 -0.650 1.00 0.00 O ATOM 763 CB PRO A2677 -12.412 5.403 -3.113 1.00 0.00 C ATOM 764 CG PRO A2677 -12.847 4.989 -4.476 1.00 0.00 C ATOM 765 CD PRO A2677 -11.619 4.454 -5.158 1.00 0.00 C ATOM 0 HA PRO A2677 -10.497 4.878 -2.153 1.00 0.00 H new ATOM 0 HB2 PRO A2677 -13.236 5.349 -2.402 1.00 0.00 H new ATOM 0 HB3 PRO A2677 -12.054 6.432 -3.108 1.00 0.00 H new ATOM 0 HG2 PRO A2677 -13.626 4.229 -4.423 1.00 0.00 H new ATOM 0 HG3 PRO A2677 -13.262 5.833 -5.026 1.00 0.00 H new ATOM 0 HD2 PRO A2677 -11.865 3.666 -5.870 1.00 0.00 H new ATOM 0 HD3 PRO A2677 -11.095 5.232 -5.713 1.00 0.00 H new ATOM 773 N GLU A2678 -12.237 2.200 -2.519 1.00 0.00 N ATOM 774 CA GLU A2678 -12.776 1.046 -1.808 1.00 0.00 C ATOM 775 C GLU A2678 -11.663 0.186 -1.217 1.00 0.00 C ATOM 776 O GLU A2678 -11.935 -0.816 -0.555 1.00 0.00 O ATOM 777 CB GLU A2678 -13.619 0.193 -2.756 1.00 0.00 C ATOM 778 CG GLU A2678 -14.968 0.801 -3.097 1.00 0.00 C ATOM 779 CD GLU A2678 -14.846 2.151 -3.776 1.00 0.00 C ATOM 780 OE1 GLU A2678 -15.188 3.169 -3.139 1.00 0.00 O ATOM 781 OE2 GLU A2678 -14.409 2.189 -4.946 1.00 0.00 O ATOM 0 H GLU A2678 -12.197 2.090 -3.532 1.00 0.00 H new ATOM 0 HA GLU A2678 -13.396 1.420 -0.993 1.00 0.00 H new ATOM 0 HB2 GLU A2678 -13.060 0.033 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A2678 -13.777 -0.786 -2.304 1.00 0.00 H new ATOM 0 HG2 GLU A2678 -15.515 0.119 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A2678 -15.554 0.909 -2.185 1.00 0.00 H new ATOM 788 N PHE A2679 -10.413 0.558 -1.476 1.00 0.00 N ATOM 789 CA PHE A2679 -9.283 -0.215 -0.977 1.00 0.00 C ATOM 790 C PHE A2679 -8.374 0.602 -0.069 1.00 0.00 C ATOM 791 O PHE A2679 -8.427 1.832 -0.041 1.00 0.00 O ATOM 792 CB PHE A2679 -8.472 -0.768 -2.147 1.00 0.00 C ATOM 793 CG PHE A2679 -9.045 -2.030 -2.713 1.00 0.00 C ATOM 794 CD1 PHE A2679 -8.401 -3.241 -2.532 1.00 0.00 C ATOM 795 CD2 PHE A2679 -10.235 -2.004 -3.420 1.00 0.00 C ATOM 796 CE1 PHE A2679 -8.933 -4.407 -3.047 1.00 0.00 C ATOM 797 CE2 PHE A2679 -10.772 -3.164 -3.939 1.00 0.00 C ATOM 798 CZ PHE A2679 -10.119 -4.370 -3.752 1.00 0.00 C ATOM 0 H PHE A2679 -10.159 1.381 -2.023 1.00 0.00 H new ATOM 0 HA PHE A2679 -9.692 -1.032 -0.383 1.00 0.00 H new ATOM 0 HB2 PHE A2679 -8.420 -0.015 -2.933 1.00 0.00 H new ATOM 0 HB3 PHE A2679 -7.450 -0.956 -1.817 1.00 0.00 H new ATOM 0 HD1 PHE A2679 -7.472 -3.275 -1.982 1.00 0.00 H new ATOM 0 HD2 PHE A2679 -10.749 -1.065 -3.567 1.00 0.00 H new ATOM 0 HE1 PHE A2679 -8.422 -5.347 -2.898 1.00 0.00 H new ATOM 0 HE2 PHE A2679 -11.700 -3.131 -4.490 1.00 0.00 H new ATOM 0 HZ PHE A2679 -10.537 -5.280 -4.157 1.00 0.00 H new ATOM 808 N ALA A2680 -7.529 -0.114 0.662 1.00 0.00 N ATOM 809 CA ALA A2680 -6.575 0.492 1.576 1.00 0.00 C ATOM 810 C ALA A2680 -5.288 -0.325 1.589 1.00 0.00 C ATOM 811 O ALA A2680 -5.210 -1.364 0.932 1.00 0.00 O ATOM 812 CB ALA A2680 -7.168 0.608 2.969 1.00 0.00 C ATOM 0 H ALA A2680 -7.487 -1.133 0.636 1.00 0.00 H new ATOM 0 HA ALA A2680 -6.342 1.500 1.234 1.00 0.00 H new ATOM 0 HB1 ALA A2680 -6.438 1.064 3.638 1.00 0.00 H new ATOM 0 HB2 ALA A2680 -8.064 1.228 2.933 1.00 0.00 H new ATOM 0 HB3 ALA A2680 -7.428 -0.384 3.338 1.00 0.00 H new ATOM 818 N VAL A2681 -4.271 0.137 2.307 1.00 0.00 N ATOM 819 CA VAL A2681 -2.996 -0.571 2.356 1.00 0.00 C ATOM 820 C VAL A2681 -2.890 -1.487 3.571 1.00 0.00 C ATOM 821 O VAL A2681 -3.352 -1.146 4.656 1.00 0.00 O ATOM 822 CB VAL A2681 -1.826 0.424 2.398 1.00 0.00 C ATOM 823 CG1 VAL A2681 -0.508 -0.294 2.209 1.00 0.00 C ATOM 824 CG2 VAL A2681 -2.009 1.513 1.350 1.00 0.00 C ATOM 0 H VAL A2681 -4.303 0.993 2.860 1.00 0.00 H new ATOM 0 HA VAL A2681 -2.947 -1.179 1.453 1.00 0.00 H new ATOM 0 HB VAL A2681 -1.814 0.899 3.379 1.00 0.00 H new ATOM 0 HG11 VAL A2681 0.308 0.428 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A2681 -0.376 -1.027 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A2681 -0.505 -0.801 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A2681 -1.170 2.207 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A2681 -2.052 1.061 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A2681 -2.937 2.052 1.543 1.00 0.00 H new ATOM 834 N ALA A2682 -2.282 -2.658 3.378 1.00 0.00 N ATOM 835 CA ALA A2682 -2.128 -3.626 4.464 1.00 0.00 C ATOM 836 C ALA A2682 -1.520 -2.980 5.715 1.00 0.00 C ATOM 837 O ALA A2682 -0.788 -1.994 5.626 1.00 0.00 O ATOM 838 CB ALA A2682 -1.271 -4.796 4.005 1.00 0.00 C ATOM 0 H ALA A2682 -1.890 -2.958 2.485 1.00 0.00 H new ATOM 0 HA ALA A2682 -3.120 -3.990 4.729 1.00 0.00 H new ATOM 0 HB1 ALA A2682 -1.163 -5.510 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A2682 -1.748 -5.285 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A2682 -0.287 -4.432 3.709 1.00 0.00 H new ATOM 844 N PRO A2683 -1.839 -3.531 6.904 1.00 0.00 N ATOM 845 CA PRO A2683 -1.354 -3.017 8.195 1.00 0.00 C ATOM 846 C PRO A2683 0.160 -2.832 8.245 1.00 0.00 C ATOM 847 O PRO A2683 0.644 -1.751 8.567 1.00 0.00 O ATOM 848 CB PRO A2683 -1.794 -4.087 9.207 1.00 0.00 C ATOM 849 CG PRO A2683 -2.234 -5.258 8.391 1.00 0.00 C ATOM 850 CD PRO A2683 -2.713 -4.694 7.088 1.00 0.00 C ATOM 0 HA PRO A2683 -1.758 -2.025 8.395 1.00 0.00 H new ATOM 0 HB2 PRO A2683 -0.974 -4.359 9.871 1.00 0.00 H new ATOM 0 HB3 PRO A2683 -2.605 -3.721 9.836 1.00 0.00 H new ATOM 0 HG2 PRO A2683 -1.412 -5.957 8.236 1.00 0.00 H new ATOM 0 HG3 PRO A2683 -3.029 -5.808 8.894 1.00 0.00 H new ATOM 0 HD2 PRO A2683 -2.611 -5.411 6.274 1.00 0.00 H new ATOM 0 HD3 PRO A2683 -3.764 -4.409 7.131 1.00 0.00 H new ATOM 858 N ASP A2684 0.907 -3.884 7.926 1.00 0.00 N ATOM 859 CA ASP A2684 2.367 -3.808 7.942 1.00 0.00 C ATOM 860 C ASP A2684 2.857 -2.855 6.859 1.00 0.00 C ATOM 861 O ASP A2684 3.990 -2.343 6.902 1.00 0.00 O ATOM 862 CB ASP A2684 2.969 -5.197 7.726 1.00 0.00 C ATOM 863 CG ASP A2684 3.353 -5.871 9.028 1.00 0.00 C ATOM 864 OD1 ASP A2684 2.444 -6.346 9.741 1.00 0.00 O ATOM 865 OD2 ASP A2684 4.562 -5.923 9.335 1.00 0.00 O ATOM 0 H ASP A2684 0.531 -4.793 7.655 1.00 0.00 H new ATOM 0 HA ASP A2684 2.686 -3.431 8.914 1.00 0.00 H new ATOM 0 HB2 ASP A2684 2.251 -5.822 7.195 1.00 0.00 H new ATOM 0 HB3 ASP A2684 3.850 -5.113 7.090 1.00 0.00 H new ATOM 870 N TRP A2685 1.975 -2.570 5.916 1.00 0.00 N ATOM 871 CA TRP A2685 2.294 -1.653 4.857 1.00 0.00 C ATOM 872 C TRP A2685 1.929 -0.237 5.275 1.00 0.00 C ATOM 873 O TRP A2685 2.327 0.726 4.639 1.00 0.00 O ATOM 874 CB TRP A2685 1.614 -2.082 3.563 1.00 0.00 C ATOM 875 CG TRP A2685 2.307 -3.253 2.942 1.00 0.00 C ATOM 876 CD1 TRP A2685 2.005 -4.573 3.115 1.00 0.00 C ATOM 877 CD2 TRP A2685 3.442 -3.210 2.071 1.00 0.00 C ATOM 878 NE1 TRP A2685 2.878 -5.351 2.398 1.00 0.00 N ATOM 879 CE2 TRP A2685 3.769 -4.540 1.749 1.00 0.00 C ATOM 880 CE3 TRP A2685 4.210 -2.176 1.529 1.00 0.00 C ATOM 881 CZ2 TRP A2685 4.832 -4.862 0.909 1.00 0.00 C ATOM 882 CZ3 TRP A2685 5.265 -2.497 0.696 1.00 0.00 C ATOM 883 CH2 TRP A2685 5.566 -3.830 0.392 1.00 0.00 C ATOM 0 H TRP A2685 1.036 -2.965 5.870 1.00 0.00 H new ATOM 0 HA TRP A2685 3.367 -1.666 4.665 1.00 0.00 H new ATOM 0 HB2 TRP A2685 0.574 -2.338 3.765 1.00 0.00 H new ATOM 0 HB3 TRP A2685 1.606 -1.248 2.861 1.00 0.00 H new ATOM 0 HD1 TRP A2685 1.198 -4.949 3.726 1.00 0.00 H new ATOM 0 HE1 TRP A2685 2.865 -6.370 2.355 1.00 0.00 H new ATOM 0 HE3 TRP A2685 3.983 -1.145 1.757 1.00 0.00 H new ATOM 0 HZ2 TRP A2685 5.068 -5.889 0.674 1.00 0.00 H new ATOM 0 HZ3 TRP A2685 5.867 -1.707 0.273 1.00 0.00 H new ATOM 0 HH2 TRP A2685 6.395 -4.048 -0.265 1.00 0.00 H new ATOM 894 N THR A2686 1.216 -0.113 6.392 1.00 0.00 N ATOM 895 CA THR A2686 0.878 1.193 6.922 1.00 0.00 C ATOM 896 C THR A2686 2.169 1.845 7.388 1.00 0.00 C ATOM 897 O THR A2686 2.434 3.016 7.113 1.00 0.00 O ATOM 898 CB THR A2686 -0.128 1.083 8.081 1.00 0.00 C ATOM 899 OG1 THR A2686 -0.889 2.269 8.205 1.00 0.00 O ATOM 900 CG2 THR A2686 0.503 0.837 9.431 1.00 0.00 C ATOM 0 H THR A2686 0.866 -0.899 6.940 1.00 0.00 H new ATOM 0 HA THR A2686 0.401 1.797 6.150 1.00 0.00 H new ATOM 0 HB THR A2686 -0.743 0.222 7.818 1.00 0.00 H new ATOM 0 HG1 THR A2686 -1.523 2.175 8.947 1.00 0.00 H new ATOM 0 HG21 THR A2686 -0.276 0.773 10.191 1.00 0.00 H new ATOM 0 HG22 THR A2686 1.063 -0.098 9.406 1.00 0.00 H new ATOM 0 HG23 THR A2686 1.178 1.658 9.672 1.00 0.00 H new ATOM 908 N ASP A2687 2.989 1.046 8.073 1.00 0.00 N ATOM 909 CA ASP A2687 4.273 1.513 8.555 1.00 0.00 C ATOM 910 C ASP A2687 5.238 1.616 7.387 1.00 0.00 C ATOM 911 O ASP A2687 5.860 2.661 7.178 1.00 0.00 O ATOM 912 CB ASP A2687 4.829 0.563 9.617 1.00 0.00 C ATOM 913 CG ASP A2687 4.434 0.971 11.022 1.00 0.00 C ATOM 914 OD1 ASP A2687 5.228 1.676 11.681 1.00 0.00 O ATOM 915 OD2 ASP A2687 3.331 0.588 11.466 1.00 0.00 O ATOM 0 H ASP A2687 2.779 0.074 8.302 1.00 0.00 H new ATOM 0 HA ASP A2687 4.147 2.495 9.012 1.00 0.00 H new ATOM 0 HB2 ASP A2687 4.470 -0.447 9.421 1.00 0.00 H new ATOM 0 HB3 ASP A2687 5.916 0.535 9.542 1.00 0.00 H new ATOM 920 N ILE A2688 5.356 0.538 6.600 1.00 0.00 N ATOM 921 CA ILE A2688 6.244 0.557 5.443 1.00 0.00 C ATOM 922 C ILE A2688 5.906 1.742 4.536 1.00 0.00 C ATOM 923 O ILE A2688 6.751 2.600 4.273 1.00 0.00 O ATOM 924 CB ILE A2688 6.128 -0.761 4.643 1.00 0.00 C ATOM 925 CG1 ILE A2688 6.610 -1.942 5.491 1.00 0.00 C ATOM 926 CG2 ILE A2688 6.912 -0.681 3.342 1.00 0.00 C ATOM 927 CD1 ILE A2688 6.305 -3.293 4.877 1.00 0.00 C ATOM 0 H ILE A2688 4.856 -0.339 6.743 1.00 0.00 H new ATOM 0 HA ILE A2688 7.268 0.660 5.802 1.00 0.00 H new ATOM 0 HB ILE A2688 5.079 -0.916 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A2688 7.686 -1.855 5.642 1.00 0.00 H new ATOM 0 HG13 ILE A2688 6.145 -1.886 6.475 1.00 0.00 H new ATOM 0 HG21 ILE A2688 6.813 -1.621 2.799 1.00 0.00 H new ATOM 0 HG22 ILE A2688 6.522 0.133 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A2688 7.964 -0.498 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A2688 6.675 -4.082 5.532 1.00 0.00 H new ATOM 0 HD12 ILE A2688 5.228 -3.401 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A2688 6.793 -3.370 3.905 1.00 0.00 H new ATOM 939 N VAL A2689 4.660 1.785 4.071 1.00 0.00 N ATOM 940 CA VAL A2689 4.201 2.866 3.205 1.00 0.00 C ATOM 941 C VAL A2689 4.474 4.217 3.851 1.00 0.00 C ATOM 942 O VAL A2689 4.899 5.159 3.184 1.00 0.00 O ATOM 943 CB VAL A2689 2.702 2.742 2.873 1.00 0.00 C ATOM 944 CG1 VAL A2689 2.220 3.950 2.083 1.00 0.00 C ATOM 945 CG2 VAL A2689 2.436 1.460 2.101 1.00 0.00 C ATOM 0 H VAL A2689 3.950 1.083 4.280 1.00 0.00 H new ATOM 0 HA VAL A2689 4.759 2.789 2.272 1.00 0.00 H new ATOM 0 HB VAL A2689 2.146 2.706 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A2689 1.159 3.839 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A2689 2.375 4.855 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A2689 2.781 4.022 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A2689 1.373 1.386 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A2689 3.006 1.470 1.172 1.00 0.00 H new ATOM 0 HG23 VAL A2689 2.738 0.603 2.703 1.00 0.00 H new ATOM 955 N LYS A2690 4.243 4.314 5.155 1.00 0.00 N ATOM 956 CA LYS A2690 4.495 5.561 5.860 1.00 0.00 C ATOM 957 C LYS A2690 5.911 6.046 5.555 1.00 0.00 C ATOM 958 O LYS A2690 6.117 7.195 5.167 1.00 0.00 O ATOM 959 CB LYS A2690 4.308 5.378 7.367 1.00 0.00 C ATOM 960 CG LYS A2690 2.999 5.944 7.890 1.00 0.00 C ATOM 961 CD LYS A2690 2.537 5.219 9.143 1.00 0.00 C ATOM 962 CE LYS A2690 1.691 6.120 10.027 1.00 0.00 C ATOM 963 NZ LYS A2690 0.235 5.863 9.851 1.00 0.00 N ATOM 0 H LYS A2690 3.887 3.556 5.737 1.00 0.00 H new ATOM 0 HA LYS A2690 3.779 6.309 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A2690 4.355 4.315 7.604 1.00 0.00 H new ATOM 0 HB3 LYS A2690 5.136 5.858 7.888 1.00 0.00 H new ATOM 0 HG2 LYS A2690 3.122 7.005 8.107 1.00 0.00 H new ATOM 0 HG3 LYS A2690 2.233 5.863 7.119 1.00 0.00 H new ATOM 0 HD2 LYS A2690 1.961 4.337 8.863 1.00 0.00 H new ATOM 0 HD3 LYS A2690 3.404 4.869 9.703 1.00 0.00 H new ATOM 0 HE2 LYS A2690 1.964 5.964 11.071 1.00 0.00 H new ATOM 0 HE3 LYS A2690 1.906 7.163 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A2690 -0.306 6.678 10.203 1.00 0.00 H new ATOM 0 HZ2 LYS A2690 0.027 5.719 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A2690 -0.034 5.012 10.385 1.00 0.00 H new ATOM 977 N GLN A2691 6.880 5.142 5.698 1.00 0.00 N ATOM 978 CA GLN A2691 8.279 5.440 5.404 1.00 0.00 C ATOM 979 C GLN A2691 8.538 5.498 3.894 1.00 0.00 C ATOM 980 O GLN A2691 9.577 5.991 3.451 1.00 0.00 O ATOM 981 CB GLN A2691 9.176 4.375 6.036 1.00 0.00 C ATOM 982 CG GLN A2691 9.305 4.502 7.544 1.00 0.00 C ATOM 983 CD GLN A2691 8.446 3.500 8.289 1.00 0.00 C ATOM 984 OE1 GLN A2691 7.556 3.875 9.053 1.00 0.00 O ATOM 985 NE2 GLN A2691 8.708 2.218 8.069 1.00 0.00 N ATOM 0 H GLN A2691 6.717 4.188 6.019 1.00 0.00 H new ATOM 0 HA GLN A2691 8.509 6.419 5.824 1.00 0.00 H new ATOM 0 HB2 GLN A2691 8.779 3.389 5.796 1.00 0.00 H new ATOM 0 HB3 GLN A2691 10.168 4.436 5.589 1.00 0.00 H new ATOM 0 HG2 GLN A2691 10.348 4.363 7.829 1.00 0.00 H new ATOM 0 HG3 GLN A2691 9.024 5.511 7.845 1.00 0.00 H new ATOM 0 HE21 GLN A2691 9.455 1.953 7.427 1.00 0.00 H new ATOM 0 HE22 GLN A2691 8.162 1.498 8.542 1.00 0.00 H new ATOM 994 N SER A2692 7.597 4.967 3.112 1.00 0.00 N ATOM 995 CA SER A2692 7.716 4.924 1.650 1.00 0.00 C ATOM 996 C SER A2692 8.180 6.241 1.054 1.00 0.00 C ATOM 997 O SER A2692 8.979 6.263 0.120 1.00 0.00 O ATOM 998 CB SER A2692 6.366 4.559 1.020 1.00 0.00 C ATOM 999 OG SER A2692 5.628 5.725 0.643 1.00 0.00 O ATOM 0 H SER A2692 6.735 4.556 3.470 1.00 0.00 H new ATOM 0 HA SER A2692 8.469 4.168 1.428 1.00 0.00 H new ATOM 0 HB2 SER A2692 6.531 3.933 0.143 1.00 0.00 H new ATOM 0 HB3 SER A2692 5.781 3.970 1.727 1.00 0.00 H new ATOM 0 HG SER A2692 5.072 6.018 1.395 1.00 0.00 H new ATOM 1005 N GLY A2693 7.661 7.333 1.577 1.00 0.00 N ATOM 1006 CA GLY A2693 8.018 8.632 1.049 1.00 0.00 C ATOM 1007 C GLY A2693 7.308 8.923 -0.268 1.00 0.00 C ATOM 1008 O GLY A2693 7.304 10.063 -0.732 1.00 0.00 O ATOM 0 H GLY A2693 7.001 7.348 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A2693 7.764 9.402 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A2693 9.097 8.679 0.899 1.00 0.00 H new ATOM 1012 N PHE A2694 6.692 7.894 -0.868 1.00 0.00 N ATOM 1013 CA PHE A2694 5.969 8.064 -2.126 1.00 0.00 C ATOM 1014 C PHE A2694 4.538 8.473 -1.859 1.00 0.00 C ATOM 1015 O PHE A2694 3.922 9.158 -2.674 1.00 0.00 O ATOM 1016 CB PHE A2694 5.952 6.782 -2.966 1.00 0.00 C ATOM 1017 CG PHE A2694 7.270 6.086 -3.051 1.00 0.00 C ATOM 1018 CD1 PHE A2694 8.063 6.184 -4.184 1.00 0.00 C ATOM 1019 CD2 PHE A2694 7.712 5.330 -1.991 1.00 0.00 C ATOM 1020 CE1 PHE A2694 9.281 5.538 -4.247 1.00 0.00 C ATOM 1021 CE2 PHE A2694 8.925 4.681 -2.046 1.00 0.00 C ATOM 1022 CZ PHE A2694 9.713 4.786 -3.176 1.00 0.00 C ATOM 0 H PHE A2694 6.683 6.942 -0.501 1.00 0.00 H new ATOM 0 HA PHE A2694 6.495 8.840 -2.683 1.00 0.00 H new ATOM 0 HB2 PHE A2694 5.218 6.095 -2.545 1.00 0.00 H new ATOM 0 HB3 PHE A2694 5.618 7.027 -3.974 1.00 0.00 H new ATOM 0 HD1 PHE A2694 7.725 6.771 -5.025 1.00 0.00 H new ATOM 0 HD2 PHE A2694 7.101 5.244 -1.105 1.00 0.00 H new ATOM 0 HE1 PHE A2694 9.893 5.622 -5.133 1.00 0.00 H new ATOM 0 HE2 PHE A2694 9.260 4.090 -1.206 1.00 0.00 H new ATOM 0 HZ PHE A2694 10.666 4.280 -3.220 1.00 0.00 H new ATOM 1032 N VAL A2695 3.996 8.055 -0.717 1.00 0.00 N ATOM 1033 CA VAL A2695 2.621 8.402 -0.380 1.00 0.00 C ATOM 1034 C VAL A2695 2.571 9.532 0.647 1.00 0.00 C ATOM 1035 O VAL A2695 3.313 9.517 1.630 1.00 0.00 O ATOM 1036 CB VAL A2695 1.855 7.188 0.184 1.00 0.00 C ATOM 1037 CG1 VAL A2695 0.357 7.424 0.118 1.00 0.00 C ATOM 1038 CG2 VAL A2695 2.229 5.919 -0.563 1.00 0.00 C ATOM 0 H VAL A2695 4.479 7.486 -0.022 1.00 0.00 H new ATOM 0 HA VAL A2695 2.146 8.729 -1.305 1.00 0.00 H new ATOM 0 HB VAL A2695 2.138 7.063 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A2695 -0.166 6.556 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A2695 0.101 8.306 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A2695 0.058 7.579 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL A2695 1.676 5.076 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A2695 1.980 6.031 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A2695 3.299 5.738 -0.460 1.00 0.00 H new ATOM 1048 N PRO A2696 1.692 10.529 0.441 1.00 0.00 N ATOM 1049 CA PRO A2696 1.554 11.660 1.364 1.00 0.00 C ATOM 1050 C PRO A2696 1.034 11.227 2.728 1.00 0.00 C ATOM 1051 O PRO A2696 0.100 10.430 2.823 1.00 0.00 O ATOM 1052 CB PRO A2696 0.544 12.580 0.669 1.00 0.00 C ATOM 1053 CG PRO A2696 -0.210 11.690 -0.257 1.00 0.00 C ATOM 1054 CD PRO A2696 0.762 10.632 -0.698 1.00 0.00 C ATOM 0 HA PRO A2696 2.512 12.141 1.562 1.00 0.00 H new ATOM 0 HB2 PRO A2696 -0.121 13.054 1.391 1.00 0.00 H new ATOM 0 HB3 PRO A2696 1.047 13.380 0.126 1.00 0.00 H new ATOM 0 HG2 PRO A2696 -1.070 11.245 0.243 1.00 0.00 H new ATOM 0 HG3 PRO A2696 -0.592 12.249 -1.111 1.00 0.00 H new ATOM 0 HD2 PRO A2696 0.262 9.684 -0.896 1.00 0.00 H new ATOM 0 HD3 PRO A2696 1.279 10.917 -1.614 1.00 0.00 H new ATOM 1062 N GLU A2697 1.649 11.754 3.783 1.00 0.00 N ATOM 1063 CA GLU A2697 1.251 11.416 5.143 1.00 0.00 C ATOM 1064 C GLU A2697 -0.246 11.620 5.344 1.00 0.00 C ATOM 1065 O GLU A2697 -0.878 10.919 6.133 1.00 0.00 O ATOM 1066 CB GLU A2697 2.036 12.250 6.156 1.00 0.00 C ATOM 1067 CG GLU A2697 1.945 13.744 5.907 1.00 0.00 C ATOM 1068 CD GLU A2697 2.497 14.562 7.058 1.00 0.00 C ATOM 1069 OE1 GLU A2697 3.454 14.097 7.712 1.00 0.00 O ATOM 1070 OE2 GLU A2697 1.973 15.668 7.306 1.00 0.00 O ATOM 0 H GLU A2697 2.423 12.415 3.721 1.00 0.00 H new ATOM 0 HA GLU A2697 1.477 10.362 5.304 1.00 0.00 H new ATOM 0 HB2 GLU A2697 1.666 12.033 7.158 1.00 0.00 H new ATOM 0 HB3 GLU A2697 3.083 11.948 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A2697 2.491 13.991 4.996 1.00 0.00 H new ATOM 0 HG3 GLU A2697 0.903 14.018 5.738 1.00 0.00 H new ATOM 1077 N SER A2698 -0.810 12.580 4.620 1.00 0.00 N ATOM 1078 CA SER A2698 -2.236 12.863 4.718 1.00 0.00 C ATOM 1079 C SER A2698 -3.050 11.634 4.330 1.00 0.00 C ATOM 1080 O SER A2698 -4.135 11.399 4.865 1.00 0.00 O ATOM 1081 CB SER A2698 -2.608 14.042 3.815 1.00 0.00 C ATOM 1082 OG SER A2698 -3.735 14.734 4.321 1.00 0.00 O ATOM 0 H SER A2698 -0.304 13.173 3.962 1.00 0.00 H new ATOM 0 HA SER A2698 -2.465 13.124 5.751 1.00 0.00 H new ATOM 0 HB2 SER A2698 -1.762 14.725 3.737 1.00 0.00 H new ATOM 0 HB3 SER A2698 -2.820 13.681 2.809 1.00 0.00 H new ATOM 0 HG SER A2698 -3.952 15.483 3.728 1.00 0.00 H new ATOM 1088 N MET A2699 -2.516 10.852 3.397 1.00 0.00 N ATOM 1089 CA MET A2699 -3.187 9.644 2.932 1.00 0.00 C ATOM 1090 C MET A2699 -2.883 8.450 3.836 1.00 0.00 C ATOM 1091 O MET A2699 -3.391 7.351 3.612 1.00 0.00 O ATOM 1092 CB MET A2699 -2.766 9.321 1.499 1.00 0.00 C ATOM 1093 CG MET A2699 -3.726 9.855 0.449 1.00 0.00 C ATOM 1094 SD MET A2699 -3.139 9.580 -1.233 1.00 0.00 S ATOM 1095 CE MET A2699 -3.755 7.927 -1.540 1.00 0.00 C ATOM 0 H MET A2699 -1.619 11.034 2.948 1.00 0.00 H new ATOM 0 HA MET A2699 -4.260 9.832 2.963 1.00 0.00 H new ATOM 0 HB2 MET A2699 -1.775 9.736 1.318 1.00 0.00 H new ATOM 0 HB3 MET A2699 -2.684 8.240 1.388 1.00 0.00 H new ATOM 0 HG2 MET A2699 -4.697 9.376 0.573 1.00 0.00 H new ATOM 0 HG3 MET A2699 -3.874 10.923 0.608 1.00 0.00 H new ATOM 0 HE1 MET A2699 -4.113 7.857 -2.567 1.00 0.00 H new ATOM 0 HE2 MET A2699 -2.953 7.205 -1.385 1.00 0.00 H new ATOM 0 HE3 MET A2699 -4.575 7.711 -0.855 1.00 0.00 H new ATOM 1105 N PHE A2700 -2.061 8.664 4.861 1.00 0.00 N ATOM 1106 CA PHE A2700 -1.714 7.590 5.789 1.00 0.00 C ATOM 1107 C PHE A2700 -2.961 7.038 6.483 1.00 0.00 C ATOM 1108 O PHE A2700 -2.930 5.948 7.055 1.00 0.00 O ATOM 1109 CB PHE A2700 -0.716 8.088 6.841 1.00 0.00 C ATOM 1110 CG PHE A2700 0.689 8.292 6.328 1.00 0.00 C ATOM 1111 CD1 PHE A2700 1.662 8.832 7.156 1.00 0.00 C ATOM 1112 CD2 PHE A2700 1.043 7.942 5.030 1.00 0.00 C ATOM 1113 CE1 PHE A2700 2.954 9.021 6.704 1.00 0.00 C ATOM 1114 CE2 PHE A2700 2.335 8.131 4.574 1.00 0.00 C ATOM 1115 CZ PHE A2700 3.290 8.671 5.413 1.00 0.00 C ATOM 0 H PHE A2700 -1.626 9.563 5.069 1.00 0.00 H new ATOM 0 HA PHE A2700 -1.254 6.789 5.211 1.00 0.00 H new ATOM 0 HB2 PHE A2700 -1.080 9.031 7.250 1.00 0.00 H new ATOM 0 HB3 PHE A2700 -0.688 7.373 7.663 1.00 0.00 H new ATOM 0 HD1 PHE A2700 1.406 9.109 8.168 1.00 0.00 H new ATOM 0 HD2 PHE A2700 0.301 7.518 4.370 1.00 0.00 H new ATOM 0 HE1 PHE A2700 3.700 9.443 7.361 1.00 0.00 H new ATOM 0 HE2 PHE A2700 2.597 7.857 3.563 1.00 0.00 H new ATOM 0 HZ PHE A2700 4.299 8.819 5.058 1.00 0.00 H new