USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 GLN : amide:sc= -1.07! C(o=-2.6!,f=-8.3!) USER MOD Set 1.2: B 114 TYR OH : rot 130:sc= -2.29! USER MOD Set 1.3: B 115 GLN : amide:sc= 0.79 K(o=-2.6,f=-5.7) USER MOD Set 2.1: A 11 SER OG : rot -120:sc= 1.08 USER MOD Set 2.2: B 102 LYS NZ :NH3+ -154:sc= 0.553! (180deg=-0.267) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -144:sc= -2.3! USER MOD Single : A 8 THR OG1 : rot 55:sc= 0.104 USER MOD Single : A 13 SER OG : rot 61:sc= 0.164 USER MOD Single : A 14 TYR OH : rot 180:sc= -1.08! USER MOD Single : A 15 GLN : amide:sc= -0.615 K(o=-0.61,f=-1.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 70:sc= 0.2 USER MOD Single : A 23 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.59) USER MOD Single : A 25 SER OG : rot 82:sc= -0.447 USER MOD Single : A 29 SER OG : rot 90:sc= 0.611 USER MOD Single : A 30 THR OG1 : rot 79:sc= 1.09 USER MOD Single : A 31 THR OG1 : rot -102:sc= -1.25 USER MOD Single : A 32 MET CE :methyl -177:sc= -20.2! (180deg=-20.4!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.0909 K(o=-0.091,f=-0.82) USER MOD Single : B 103 GLN : amide:sc= -0.041 K(o=-0.041,f=-0.55) USER MOD Single : B 106 THR OG1 : rot -128:sc= -3.47! USER MOD Single : B 108 THR OG1 : rot 56:sc= 0.268 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 105:sc= -1.33! USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 ASN : amide:sc= -1.12 K(o=-1.1,f=-4.7!) USER MOD Single : B 125 SER OG : rot 180:sc= -0.819 USER MOD Single : B 129 SER OG : rot 44:sc= -3.85! USER MOD Single : B 130 THR OG1 : rot 81:sc= 1.11 USER MOD Single : B 131 THR OG1 : rot -120:sc= -0.0153 USER MOD Single : B 132 MET CE :methyl 163:sc= -13.8! (180deg=-14.7!) USER MOD Single : B 133 GLN : amide:sc= 0.578 K(o=0.58,f=0) USER MOD Single : B 134 ASN : amide:sc= -1.82! C(o=-1.8!,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -14.093 -13.021 -18.097 1.00 0.00 N ATOM 21 CA LYS A 2 -13.886 -12.489 -16.745 1.00 0.00 C ATOM 22 C LYS A 2 -12.590 -13.029 -16.155 1.00 0.00 C ATOM 23 O LYS A 2 -12.376 -14.243 -16.120 1.00 0.00 O ATOM 24 CB LYS A 2 -15.050 -12.856 -15.813 1.00 0.00 C ATOM 25 CG LYS A 2 -16.407 -12.326 -16.267 1.00 0.00 C ATOM 26 CD LYS A 2 -17.037 -11.412 -15.220 1.00 0.00 C ATOM 27 CE LYS A 2 -18.371 -11.955 -14.726 1.00 0.00 C ATOM 28 NZ LYS A 2 -19.516 -11.442 -15.535 1.00 0.00 N ATOM 0 HA LYS A 2 -13.831 -11.404 -16.828 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.106 -13.941 -15.730 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.837 -12.471 -14.816 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.289 -11.780 -17.203 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -17.075 -13.163 -16.468 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.355 -11.301 -14.377 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.183 -10.419 -15.645 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -18.357 -13.044 -14.767 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.511 -11.677 -13.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.405 -11.835 -15.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.546 -10.404 -15.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.396 -11.729 -16.527 1.00 0.00 H new ATOM 42 N GLN A 3 -11.728 -12.133 -15.687 1.00 0.00 N ATOM 43 CA GLN A 3 -10.465 -12.534 -15.101 1.00 0.00 C ATOM 44 C GLN A 3 -10.410 -12.149 -13.645 1.00 0.00 C ATOM 45 O GLN A 3 -10.506 -10.974 -13.290 1.00 0.00 O ATOM 46 CB GLN A 3 -9.280 -11.920 -15.859 1.00 0.00 C ATOM 47 CG GLN A 3 -7.944 -12.248 -15.226 1.00 0.00 C ATOM 48 CD GLN A 3 -6.769 -12.045 -16.161 1.00 0.00 C ATOM 49 OE1 GLN A 3 -6.906 -11.477 -17.241 1.00 0.00 O ATOM 50 NE2 GLN A 3 -5.596 -12.491 -15.741 1.00 0.00 N ATOM 0 H GLN A 3 -11.886 -11.125 -15.704 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.392 -13.619 -15.180 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -9.287 -12.280 -16.888 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -9.402 -10.838 -15.899 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.807 -11.626 -14.342 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.955 -13.284 -14.888 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.522 -12.958 -14.837 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.766 -12.368 -16.321 1.00 0.00 H new ATOM 59 N ARG A 4 -10.277 -13.155 -12.801 1.00 0.00 N ATOM 60 CA ARG A 4 -10.244 -12.924 -11.382 1.00 0.00 C ATOM 61 C ARG A 4 -8.884 -12.436 -10.911 1.00 0.00 C ATOM 62 O ARG A 4 -7.939 -13.216 -10.770 1.00 0.00 O ATOM 63 CB ARG A 4 -10.622 -14.190 -10.627 1.00 0.00 C ATOM 64 CG ARG A 4 -11.682 -13.937 -9.580 1.00 0.00 C ATOM 65 CD ARG A 4 -12.603 -15.128 -9.415 1.00 0.00 C ATOM 66 NE ARG A 4 -13.321 -15.457 -10.663 1.00 0.00 N ATOM 67 CZ ARG A 4 -14.648 -15.516 -10.809 1.00 0.00 C ATOM 68 NH1 ARG A 4 -15.467 -15.250 -9.810 1.00 0.00 N ATOM 69 NH2 ARG A 4 -15.154 -15.841 -11.983 1.00 0.00 N ATOM 0 H ARG A 4 -10.191 -14.133 -13.078 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.972 -12.140 -11.171 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.983 -14.938 -11.333 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.734 -14.605 -10.150 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.205 -13.711 -8.626 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.267 -13.061 -9.859 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.022 -15.992 -9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.326 -14.919 -8.626 1.00 0.00 H new ATOM 0 HE ARG A 4 -12.754 -15.657 -11.487 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.091 -14.991 -8.898 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -16.476 -15.303 -9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.534 -16.044 -12.767 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.165 -15.889 -12.107 1.00 0.00 H new ATOM 83 N ILE A 5 -8.820 -11.152 -10.597 1.00 0.00 N ATOM 84 CA ILE A 5 -7.614 -10.559 -10.054 1.00 0.00 C ATOM 85 C ILE A 5 -7.870 -10.375 -8.591 1.00 0.00 C ATOM 86 O ILE A 5 -8.723 -9.582 -8.197 1.00 0.00 O ATOM 87 CB ILE A 5 -7.231 -9.216 -10.719 1.00 0.00 C ATOM 88 CG1 ILE A 5 -7.502 -8.003 -9.817 1.00 0.00 C ATOM 89 CG2 ILE A 5 -7.977 -9.064 -12.024 1.00 0.00 C ATOM 90 CD1 ILE A 5 -6.610 -6.825 -10.116 1.00 0.00 C ATOM 0 H ILE A 5 -9.595 -10.499 -10.711 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.764 -11.214 -10.249 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.156 -9.242 -10.899 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.543 -7.700 -9.931 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.368 -8.296 -8.776 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.705 -8.117 -12.490 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.715 -9.885 -12.691 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.050 -9.080 -11.834 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.855 -6.003 -9.443 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.568 -7.112 -9.974 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.761 -6.506 -11.147 1.00 0.00 H new ATOM 102 N THR A 6 -7.202 -11.151 -7.788 1.00 0.00 N ATOM 103 CA THR A 6 -7.438 -11.095 -6.372 1.00 0.00 C ATOM 104 C THR A 6 -6.200 -10.599 -5.626 1.00 0.00 C ATOM 105 O THR A 6 -5.144 -11.229 -5.674 1.00 0.00 O ATOM 106 CB THR A 6 -7.949 -12.473 -5.880 1.00 0.00 C ATOM 107 OG1 THR A 6 -7.091 -13.040 -4.913 1.00 0.00 O ATOM 108 CG2 THR A 6 -8.125 -13.505 -6.990 1.00 0.00 C ATOM 0 H THR A 6 -6.496 -11.825 -8.084 1.00 0.00 H new ATOM 0 HA THR A 6 -8.218 -10.365 -6.154 1.00 0.00 H new ATOM 0 HB THR A 6 -8.926 -12.248 -5.452 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.060 -14.012 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.485 -14.441 -6.563 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.848 -13.137 -7.718 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.168 -13.676 -7.483 1.00 0.00 H new ATOM 116 N VAL A 7 -6.361 -9.498 -4.878 1.00 0.00 N ATOM 117 CA VAL A 7 -5.279 -8.952 -4.054 1.00 0.00 C ATOM 118 C VAL A 7 -5.536 -9.406 -2.627 1.00 0.00 C ATOM 119 O VAL A 7 -6.470 -8.931 -1.977 1.00 0.00 O ATOM 120 CB VAL A 7 -5.124 -7.377 -4.124 1.00 0.00 C ATOM 121 CG1 VAL A 7 -6.401 -6.676 -4.570 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.650 -6.781 -2.788 1.00 0.00 C ATOM 0 H VAL A 7 -7.232 -8.969 -4.828 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.333 -9.329 -4.443 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.359 -7.198 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.234 -5.599 -4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.681 -7.027 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.203 -6.900 -3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.558 -5.699 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.374 -7.016 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.681 -7.205 -2.524 1.00 0.00 H new ATOM 132 N THR A 8 -4.746 -10.359 -2.153 1.00 0.00 N ATOM 133 CA THR A 8 -4.928 -10.888 -0.815 1.00 0.00 C ATOM 134 C THR A 8 -4.537 -9.853 0.227 1.00 0.00 C ATOM 135 O THR A 8 -3.433 -9.886 0.771 1.00 0.00 O ATOM 136 CB THR A 8 -4.127 -12.169 -0.640 1.00 0.00 C ATOM 137 OG1 THR A 8 -2.804 -12.012 -1.111 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.738 -13.347 -1.357 1.00 0.00 C ATOM 0 H THR A 8 -3.977 -10.778 -2.675 1.00 0.00 H new ATOM 0 HA THR A 8 -5.983 -11.124 -0.674 1.00 0.00 H new ATOM 0 HB THR A 8 -4.132 -12.369 0.431 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.390 -11.239 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.122 -14.231 -1.195 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.741 -13.528 -0.970 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.794 -13.134 -2.425 1.00 0.00 H new ATOM 146 N VAL A 9 -5.463 -8.938 0.487 1.00 0.00 N ATOM 147 CA VAL A 9 -5.264 -7.866 1.455 1.00 0.00 C ATOM 148 C VAL A 9 -5.334 -8.410 2.884 1.00 0.00 C ATOM 149 O VAL A 9 -4.791 -9.481 3.146 1.00 0.00 O ATOM 150 CB VAL A 9 -6.312 -6.761 1.250 1.00 0.00 C ATOM 151 CG1 VAL A 9 -6.297 -6.285 -0.196 1.00 0.00 C ATOM 152 CG2 VAL A 9 -7.685 -7.277 1.630 1.00 0.00 C ATOM 0 H VAL A 9 -6.375 -8.918 0.031 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.273 -7.440 1.299 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.069 -5.914 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.044 -5.502 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.310 -5.891 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.526 -7.121 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.423 -6.489 1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.938 -8.133 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.683 -7.581 2.677 1.00 0.00 H new ATOM 162 N ASP A 10 -5.950 -7.656 3.817 1.00 0.00 N ATOM 163 CA ASP A 10 -6.035 -8.048 5.233 1.00 0.00 C ATOM 164 C ASP A 10 -4.799 -7.512 5.970 1.00 0.00 C ATOM 165 O ASP A 10 -4.756 -7.448 7.199 1.00 0.00 O ATOM 166 CB ASP A 10 -6.213 -9.568 5.382 1.00 0.00 C ATOM 167 CG ASP A 10 -6.256 -10.043 6.821 1.00 0.00 C ATOM 168 OD1 ASP A 10 -7.097 -9.538 7.592 1.00 0.00 O ATOM 169 OD2 ASP A 10 -5.455 -10.942 7.165 1.00 0.00 O ATOM 0 H ASP A 10 -6.399 -6.764 3.609 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.920 -7.606 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.135 -9.867 4.883 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.395 -10.072 4.868 1.00 0.00 H new ATOM 174 N SER A 11 -3.821 -7.063 5.177 1.00 0.00 N ATOM 175 CA SER A 11 -2.599 -6.456 5.675 1.00 0.00 C ATOM 176 C SER A 11 -2.448 -5.072 5.035 1.00 0.00 C ATOM 177 O SER A 11 -2.364 -4.069 5.736 1.00 0.00 O ATOM 178 CB SER A 11 -1.379 -7.328 5.356 1.00 0.00 C ATOM 179 OG SER A 11 -1.615 -8.698 5.680 1.00 0.00 O ATOM 0 H SER A 11 -3.864 -7.115 4.159 1.00 0.00 H new ATOM 0 HA SER A 11 -2.658 -6.363 6.759 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.135 -7.240 4.297 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.515 -6.965 5.913 1.00 0.00 H new ATOM 0 HG SER A 11 -0.960 -8.994 6.346 1.00 0.00 H new ATOM 185 N ASP A 12 -2.394 -5.046 3.690 1.00 0.00 N ATOM 186 CA ASP A 12 -2.233 -3.808 2.915 1.00 0.00 C ATOM 187 C ASP A 12 -3.183 -2.675 3.387 1.00 0.00 C ATOM 188 O ASP A 12 -2.868 -1.981 4.358 1.00 0.00 O ATOM 189 CB ASP A 12 -2.415 -4.128 1.425 1.00 0.00 C ATOM 190 CG ASP A 12 -1.707 -5.406 1.003 1.00 0.00 C ATOM 191 OD1 ASP A 12 -2.154 -6.498 1.428 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.716 -5.316 0.251 1.00 0.00 O ATOM 0 H ASP A 12 -2.461 -5.884 3.113 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.227 -3.424 3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.479 -4.219 1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.037 -3.296 0.831 1.00 0.00 H new ATOM 197 N SER A 13 -4.331 -2.453 2.711 1.00 0.00 N ATOM 198 CA SER A 13 -5.264 -1.376 3.117 1.00 0.00 C ATOM 199 C SER A 13 -6.549 -1.375 2.258 1.00 0.00 C ATOM 200 O SER A 13 -7.051 -0.323 1.860 1.00 0.00 O ATOM 201 CB SER A 13 -4.572 -0.011 3.025 1.00 0.00 C ATOM 202 OG SER A 13 -4.361 0.540 4.315 1.00 0.00 O ATOM 0 H SER A 13 -4.631 -2.992 1.898 1.00 0.00 H new ATOM 0 HA SER A 13 -5.554 -1.567 4.150 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.617 -0.117 2.510 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.181 0.670 2.430 1.00 0.00 H new ATOM 0 HG SER A 13 -3.780 -0.055 4.834 1.00 0.00 H new ATOM 208 N TYR A 14 -7.061 -2.574 1.987 1.00 0.00 N ATOM 209 CA TYR A 14 -8.273 -2.787 1.176 1.00 0.00 C ATOM 210 C TYR A 14 -9.573 -2.605 1.973 1.00 0.00 C ATOM 211 O TYR A 14 -10.553 -2.067 1.455 1.00 0.00 O ATOM 212 CB TYR A 14 -8.217 -4.192 0.624 1.00 0.00 C ATOM 213 CG TYR A 14 -9.530 -4.906 0.618 1.00 0.00 C ATOM 214 CD1 TYR A 14 -9.926 -5.653 1.710 1.00 0.00 C ATOM 215 CD2 TYR A 14 -10.353 -4.851 -0.486 1.00 0.00 C ATOM 216 CE1 TYR A 14 -11.109 -6.340 1.710 1.00 0.00 C ATOM 217 CE2 TYR A 14 -11.549 -5.531 -0.505 1.00 0.00 C ATOM 218 CZ TYR A 14 -11.925 -6.282 0.597 1.00 0.00 C ATOM 219 OH TYR A 14 -13.116 -6.964 0.596 1.00 0.00 O ATOM 0 H TYR A 14 -6.645 -3.441 2.326 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.288 -2.037 0.385 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.833 -4.154 -0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.505 -4.772 1.211 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.289 -5.696 2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.056 -4.268 -1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.402 -6.922 2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.190 -5.480 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.574 -6.821 -0.259 1.00 0.00 H new ATOM 229 N GLN A 15 -9.593 -3.117 3.207 1.00 0.00 N ATOM 230 CA GLN A 15 -10.802 -3.079 4.044 1.00 0.00 C ATOM 231 C GLN A 15 -11.450 -1.689 4.117 1.00 0.00 C ATOM 232 O GLN A 15 -12.661 -1.582 3.965 1.00 0.00 O ATOM 233 CB GLN A 15 -10.514 -3.594 5.462 1.00 0.00 C ATOM 234 CG GLN A 15 -9.489 -4.722 5.538 1.00 0.00 C ATOM 235 CD GLN A 15 -8.161 -4.271 6.120 1.00 0.00 C ATOM 236 OE1 GLN A 15 -8.098 -3.322 6.894 1.00 0.00 O ATOM 237 NE2 GLN A 15 -7.092 -4.955 5.753 1.00 0.00 N ATOM 0 H GLN A 15 -8.789 -3.562 3.650 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.517 -3.741 3.555 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.163 -2.761 6.071 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.448 -3.941 5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.891 -5.532 6.147 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.325 -5.125 4.539 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.185 -5.739 5.107 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.174 -4.699 6.116 1.00 0.00 H new ATOM 246 N LEU A 16 -10.665 -0.633 4.345 1.00 0.00 N ATOM 247 CA LEU A 16 -11.218 0.735 4.427 1.00 0.00 C ATOM 248 C LEU A 16 -12.130 1.060 3.227 1.00 0.00 C ATOM 249 O LEU A 16 -13.095 1.810 3.353 1.00 0.00 O ATOM 250 CB LEU A 16 -10.077 1.758 4.509 1.00 0.00 C ATOM 251 CG LEU A 16 -10.221 2.813 5.611 1.00 0.00 C ATOM 252 CD1 LEU A 16 -8.879 3.461 5.904 1.00 0.00 C ATOM 253 CD2 LEU A 16 -11.240 3.871 5.218 1.00 0.00 C ATOM 0 H LEU A 16 -9.655 -0.690 4.476 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.827 0.791 5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.141 1.222 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.999 2.268 3.549 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.575 2.314 6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.999 4.208 6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.171 2.700 6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.502 3.941 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.325 4.609 6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.917 4.364 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.209 3.400 5.055 1.00 0.00 H new ATOM 265 N LEU A 17 -11.820 0.458 2.085 1.00 0.00 N ATOM 266 CA LEU A 17 -12.622 0.654 0.871 1.00 0.00 C ATOM 267 C LEU A 17 -13.906 -0.174 0.907 1.00 0.00 C ATOM 268 O LEU A 17 -15.014 0.352 0.760 1.00 0.00 O ATOM 269 CB LEU A 17 -11.829 0.316 -0.388 1.00 0.00 C ATOM 270 CG LEU A 17 -11.641 1.471 -1.378 1.00 0.00 C ATOM 271 CD1 LEU A 17 -11.614 0.941 -2.794 1.00 0.00 C ATOM 272 CD2 LEU A 17 -12.737 2.518 -1.240 1.00 0.00 C ATOM 0 H LEU A 17 -11.024 -0.168 1.968 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.888 1.711 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.846 -0.048 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.330 -0.503 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.690 1.951 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.480 1.769 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.788 0.238 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.554 0.434 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.567 3.319 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.706 2.058 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.724 2.928 -0.230 1.00 0.00 H new ATOM 284 N LYS A 18 -13.743 -1.475 1.104 1.00 0.00 N ATOM 285 CA LYS A 18 -14.865 -2.405 1.160 1.00 0.00 C ATOM 286 C LYS A 18 -15.701 -2.188 2.410 1.00 0.00 C ATOM 287 O LYS A 18 -16.891 -2.497 2.438 1.00 0.00 O ATOM 288 CB LYS A 18 -14.346 -3.835 1.120 1.00 0.00 C ATOM 289 CG LYS A 18 -13.408 -4.137 2.269 1.00 0.00 C ATOM 290 CD LYS A 18 -13.799 -5.434 2.967 1.00 0.00 C ATOM 291 CE LYS A 18 -13.692 -5.321 4.476 1.00 0.00 C ATOM 292 NZ LYS A 18 -14.440 -6.416 5.160 1.00 0.00 N ATOM 0 H LYS A 18 -12.832 -1.916 1.229 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.504 -2.223 0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.188 -4.526 1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.828 -4.005 0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.386 -4.213 1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.427 -3.315 2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.821 -5.699 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.156 -6.242 2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.643 -5.356 4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.082 -4.356 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.346 -6.309 6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.445 -6.367 4.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.051 -7.336 4.870 1.00 0.00 H new ATOM 306 N ALA A 19 -15.061 -1.647 3.434 1.00 0.00 N ATOM 307 CA ALA A 19 -15.726 -1.369 4.698 1.00 0.00 C ATOM 308 C ALA A 19 -16.960 -0.507 4.461 1.00 0.00 C ATOM 309 O ALA A 19 -17.970 -0.642 5.149 1.00 0.00 O ATOM 310 CB ALA A 19 -14.771 -0.685 5.669 1.00 0.00 C ATOM 0 H ALA A 19 -14.074 -1.390 3.414 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.040 -2.314 5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.288 -0.486 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.916 -1.334 5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.426 0.255 5.238 1.00 0.00 H new ATOM 316 N TYR A 20 -16.866 0.362 3.457 1.00 0.00 N ATOM 317 CA TYR A 20 -17.962 1.232 3.087 1.00 0.00 C ATOM 318 C TYR A 20 -18.858 0.534 2.064 1.00 0.00 C ATOM 319 O TYR A 20 -20.077 0.544 2.222 1.00 0.00 O ATOM 320 CB TYR A 20 -17.424 2.557 2.536 1.00 0.00 C ATOM 321 CG TYR A 20 -16.494 3.273 3.494 1.00 0.00 C ATOM 322 CD1 TYR A 20 -16.768 3.322 4.857 1.00 0.00 C ATOM 323 CD2 TYR A 20 -15.341 3.892 3.039 1.00 0.00 C ATOM 324 CE1 TYR A 20 -15.915 3.967 5.734 1.00 0.00 C ATOM 325 CE2 TYR A 20 -14.486 4.536 3.909 1.00 0.00 C ATOM 326 CZ TYR A 20 -14.775 4.572 5.255 1.00 0.00 C ATOM 327 OH TYR A 20 -13.921 5.217 6.128 1.00 0.00 O ATOM 0 H TYR A 20 -16.030 0.477 2.884 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.559 1.453 3.972 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.895 2.366 1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.263 3.211 2.299 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.661 2.849 5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.108 3.870 1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -16.142 3.996 6.789 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.591 5.011 3.535 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.468 4.555 6.692 1.00 0.00 H new ATOM 337 N ASP A 21 -18.223 -0.087 1.039 1.00 0.00 N ATOM 338 CA ASP A 21 -18.924 -0.835 -0.032 1.00 0.00 C ATOM 339 C ASP A 21 -18.227 -0.635 -1.382 1.00 0.00 C ATOM 340 O ASP A 21 -18.863 -0.357 -2.400 1.00 0.00 O ATOM 341 CB ASP A 21 -20.403 -0.436 -0.158 1.00 0.00 C ATOM 342 CG ASP A 21 -21.341 -1.493 0.398 1.00 0.00 C ATOM 343 OD1 ASP A 21 -21.046 -2.053 1.477 1.00 0.00 O ATOM 344 OD2 ASP A 21 -22.370 -1.768 -0.254 1.00 0.00 O ATOM 0 H ASP A 21 -17.209 -0.083 0.933 1.00 0.00 H new ATOM 0 HA ASP A 21 -18.883 -1.887 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.568 0.504 0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -20.640 -0.260 -1.207 1.00 0.00 H new ATOM 349 N VAL A 22 -16.907 -0.762 -1.380 1.00 0.00 N ATOM 350 CA VAL A 22 -16.116 -0.576 -2.590 1.00 0.00 C ATOM 351 C VAL A 22 -15.184 -1.761 -2.832 1.00 0.00 C ATOM 352 O VAL A 22 -13.967 -1.663 -2.643 1.00 0.00 O ATOM 353 CB VAL A 22 -15.292 0.726 -2.487 1.00 0.00 C ATOM 354 CG1 VAL A 22 -14.720 1.112 -3.842 1.00 0.00 C ATOM 355 CG2 VAL A 22 -16.127 1.869 -1.920 1.00 0.00 C ATOM 0 H VAL A 22 -16.359 -0.994 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.803 -0.507 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.466 0.538 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.144 2.032 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -14.072 0.314 -4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.534 1.267 -4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.517 2.770 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -16.983 2.052 -2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.479 1.603 -0.923 1.00 0.00 H new ATOM 365 N ASN A 23 -15.757 -2.887 -3.257 1.00 0.00 N ATOM 366 CA ASN A 23 -14.963 -4.094 -3.525 1.00 0.00 C ATOM 367 C ASN A 23 -14.194 -3.999 -4.846 1.00 0.00 C ATOM 368 O ASN A 23 -14.161 -4.947 -5.627 1.00 0.00 O ATOM 369 CB ASN A 23 -15.818 -5.361 -3.517 1.00 0.00 C ATOM 370 CG ASN A 23 -17.306 -5.096 -3.667 1.00 0.00 C ATOM 371 OD1 ASN A 23 -17.994 -4.818 -2.690 1.00 0.00 O ATOM 372 ND2 ASN A 23 -17.807 -5.165 -4.890 1.00 0.00 N ATOM 0 H ASN A 23 -16.758 -2.992 -3.423 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.242 -4.160 -2.710 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -15.491 -6.014 -4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -15.646 -5.898 -2.584 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -18.799 -4.984 -5.046 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -17.202 -5.399 -5.677 1.00 0.00 H new ATOM 379 N ILE A 24 -13.565 -2.846 -5.052 1.00 0.00 N ATOM 380 CA ILE A 24 -12.734 -2.508 -6.197 1.00 0.00 C ATOM 381 C ILE A 24 -13.187 -2.972 -7.587 1.00 0.00 C ATOM 382 O ILE A 24 -12.466 -2.725 -8.550 1.00 0.00 O ATOM 383 CB ILE A 24 -11.296 -2.956 -5.978 1.00 0.00 C ATOM 384 CG1 ILE A 24 -11.206 -3.918 -4.822 1.00 0.00 C ATOM 385 CG2 ILE A 24 -10.369 -1.777 -5.771 1.00 0.00 C ATOM 386 CD1 ILE A 24 -11.586 -5.281 -5.255 1.00 0.00 C ATOM 0 H ILE A 24 -13.627 -2.079 -4.383 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.836 -1.423 -6.229 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.972 -3.472 -6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.191 -3.925 -4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.862 -3.590 -4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.351 -2.137 -5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.398 -1.133 -6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.689 -1.211 -4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.516 -5.964 -4.409 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.609 -5.272 -5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.913 -5.612 -6.046 1.00 0.00 H new ATOM 398 N SER A 25 -14.318 -3.658 -7.706 1.00 0.00 N ATOM 399 CA SER A 25 -14.759 -4.158 -9.015 1.00 0.00 C ATOM 400 C SER A 25 -14.474 -3.121 -10.117 1.00 0.00 C ATOM 401 O SER A 25 -13.606 -3.334 -10.995 1.00 0.00 O ATOM 402 CB SER A 25 -16.250 -4.512 -8.938 1.00 0.00 C ATOM 403 OG SER A 25 -17.082 -3.416 -9.288 1.00 0.00 O ATOM 0 H SER A 25 -14.941 -3.881 -6.930 1.00 0.00 H new ATOM 0 HA SER A 25 -14.200 -5.057 -9.274 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.457 -5.350 -9.604 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.492 -4.841 -7.927 1.00 0.00 H new ATOM 0 HG SER A 25 -17.150 -3.356 -10.264 1.00 0.00 H new ATOM 409 N GLY A 26 -15.143 -1.975 -10.029 1.00 0.00 N ATOM 410 CA GLY A 26 -14.919 -0.906 -10.983 1.00 0.00 C ATOM 411 C GLY A 26 -13.680 -0.100 -10.651 1.00 0.00 C ATOM 412 O GLY A 26 -13.064 0.486 -11.541 1.00 0.00 O ATOM 0 H GLY A 26 -15.838 -1.768 -9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.820 -1.328 -11.983 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.787 -0.247 -10.999 1.00 0.00 H new ATOM 416 N LEU A 27 -13.314 -0.073 -9.366 1.00 0.00 N ATOM 417 CA LEU A 27 -12.147 0.662 -8.909 1.00 0.00 C ATOM 418 C LEU A 27 -10.854 0.072 -9.450 1.00 0.00 C ATOM 419 O LEU A 27 -10.134 0.760 -10.165 1.00 0.00 O ATOM 420 CB LEU A 27 -12.088 0.681 -7.395 1.00 0.00 C ATOM 421 CG LEU A 27 -11.226 1.787 -6.815 1.00 0.00 C ATOM 422 CD1 LEU A 27 -12.017 3.079 -6.730 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.709 1.367 -5.456 1.00 0.00 C ATOM 0 H LEU A 27 -13.818 -0.558 -8.624 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.246 1.679 -9.288 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.101 0.784 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.709 -0.279 -7.046 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.372 1.964 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.387 3.864 -6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.347 3.370 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.886 2.932 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.090 2.162 -5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.550 1.176 -4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.114 0.460 -5.558 1.00 0.00 H new ATOM 435 N VAL A 28 -10.548 -1.195 -9.117 1.00 0.00 N ATOM 436 CA VAL A 28 -9.328 -1.815 -9.611 1.00 0.00 C ATOM 437 C VAL A 28 -9.157 -1.496 -11.097 1.00 0.00 C ATOM 438 O VAL A 28 -8.252 -0.754 -11.466 1.00 0.00 O ATOM 439 CB VAL A 28 -9.337 -3.336 -9.362 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.368 -4.055 -10.283 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.999 -3.625 -7.908 1.00 0.00 C ATOM 0 H VAL A 28 -11.122 -1.791 -8.520 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.478 -1.406 -9.065 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.338 -3.709 -9.579 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.400 -5.126 -10.080 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.649 -3.873 -11.320 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.358 -3.683 -10.110 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.007 -4.702 -7.740 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.009 -3.230 -7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.738 -3.151 -7.262 1.00 0.00 H new ATOM 451 N SER A 29 -10.049 -2.021 -11.936 1.00 0.00 N ATOM 452 CA SER A 29 -10.011 -1.761 -13.375 1.00 0.00 C ATOM 453 C SER A 29 -9.901 -0.255 -13.707 1.00 0.00 C ATOM 454 O SER A 29 -9.199 0.115 -14.646 1.00 0.00 O ATOM 455 CB SER A 29 -11.267 -2.346 -14.027 1.00 0.00 C ATOM 456 OG SER A 29 -11.784 -3.424 -13.254 1.00 0.00 O ATOM 0 H SER A 29 -10.811 -2.632 -11.642 1.00 0.00 H new ATOM 0 HA SER A 29 -9.116 -2.240 -13.772 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.025 -1.569 -14.128 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.031 -2.694 -15.033 1.00 0.00 H new ATOM 0 HG SER A 29 -12.425 -3.078 -12.598 1.00 0.00 H new ATOM 462 N THR A 30 -10.571 0.618 -12.937 1.00 0.00 N ATOM 463 CA THR A 30 -10.511 2.061 -13.185 1.00 0.00 C ATOM 464 C THR A 30 -9.156 2.593 -12.795 1.00 0.00 C ATOM 465 O THR A 30 -8.434 3.163 -13.617 1.00 0.00 O ATOM 466 CB THR A 30 -11.582 2.805 -12.382 1.00 0.00 C ATOM 467 OG1 THR A 30 -12.874 2.508 -12.871 1.00 0.00 O ATOM 468 CG2 THR A 30 -11.414 4.314 -12.401 1.00 0.00 C ATOM 0 H THR A 30 -11.155 0.349 -12.145 1.00 0.00 H new ATOM 0 HA THR A 30 -10.688 2.224 -14.248 1.00 0.00 H new ATOM 0 HB THR A 30 -11.461 2.459 -11.356 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.157 1.632 -12.535 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.207 4.776 -11.812 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.446 4.578 -11.976 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.469 4.673 -13.429 1.00 0.00 H new ATOM 476 N THR A 31 -8.814 2.393 -11.530 1.00 0.00 N ATOM 477 CA THR A 31 -7.544 2.841 -11.016 1.00 0.00 C ATOM 478 C THR A 31 -6.419 2.281 -11.876 1.00 0.00 C ATOM 479 O THR A 31 -5.380 2.923 -12.065 1.00 0.00 O ATOM 480 CB THR A 31 -7.381 2.442 -9.545 1.00 0.00 C ATOM 481 OG1 THR A 31 -7.836 3.481 -8.700 1.00 0.00 O ATOM 482 CG2 THR A 31 -5.958 2.130 -9.142 1.00 0.00 C ATOM 0 H THR A 31 -9.405 1.921 -10.846 1.00 0.00 H new ATOM 0 HA THR A 31 -7.502 3.929 -11.060 1.00 0.00 H new ATOM 0 HB THR A 31 -7.973 1.533 -9.435 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.067 3.973 -8.344 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.930 1.857 -8.087 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.584 1.300 -9.742 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.333 3.007 -9.306 1.00 0.00 H new ATOM 490 N MET A 32 -6.658 1.091 -12.420 1.00 0.00 N ATOM 491 CA MET A 32 -5.710 0.431 -13.293 1.00 0.00 C ATOM 492 C MET A 32 -5.351 1.313 -14.476 1.00 0.00 C ATOM 493 O MET A 32 -4.194 1.618 -14.686 1.00 0.00 O ATOM 494 CB MET A 32 -6.310 -0.871 -13.805 1.00 0.00 C ATOM 495 CG MET A 32 -6.327 -1.968 -12.775 1.00 0.00 C ATOM 496 SD MET A 32 -4.876 -2.996 -12.884 1.00 0.00 S ATOM 497 CE MET A 32 -5.121 -4.042 -11.480 1.00 0.00 C ATOM 0 H MET A 32 -7.516 0.562 -12.264 1.00 0.00 H new ATOM 0 HA MET A 32 -4.804 0.229 -12.722 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.329 -0.684 -14.143 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.743 -1.207 -14.673 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.389 -1.531 -11.779 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.218 -2.581 -12.910 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.269 -4.713 -11.373 1.00 0.00 H new ATOM 0 HE2 MET A 32 -5.216 -3.430 -10.583 1.00 0.00 H new ATOM 0 HE3 MET A 32 -6.030 -4.628 -11.617 1.00 0.00 H new ATOM 507 N GLN A 33 -6.359 1.722 -15.239 1.00 0.00 N ATOM 508 CA GLN A 33 -6.154 2.570 -16.415 1.00 0.00 C ATOM 509 C GLN A 33 -5.290 3.788 -16.100 1.00 0.00 C ATOM 510 O GLN A 33 -4.510 4.228 -16.937 1.00 0.00 O ATOM 511 CB GLN A 33 -7.505 2.997 -16.980 1.00 0.00 C ATOM 512 CG GLN A 33 -7.439 4.154 -17.967 1.00 0.00 C ATOM 513 CD GLN A 33 -8.441 4.014 -19.095 1.00 0.00 C ATOM 514 OE1 GLN A 33 -8.084 4.096 -20.268 1.00 0.00 O ATOM 515 NE2 GLN A 33 -9.704 3.802 -18.750 1.00 0.00 N ATOM 0 H GLN A 33 -7.334 1.479 -15.065 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.616 1.987 -17.162 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.965 2.141 -17.473 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.158 3.278 -16.154 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.621 5.089 -17.438 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.434 4.214 -18.384 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.960 3.740 -17.765 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.419 3.701 -19.470 1.00 0.00 H new ATOM 524 N ASN A 34 -5.421 4.316 -14.890 1.00 0.00 N ATOM 525 CA ASN A 34 -4.635 5.471 -14.472 1.00 0.00 C ATOM 526 C ASN A 34 -3.179 5.079 -14.237 1.00 0.00 C ATOM 527 O ASN A 34 -2.269 5.714 -14.775 1.00 0.00 O ATOM 528 CB ASN A 34 -5.255 6.089 -13.209 1.00 0.00 C ATOM 529 CG ASN A 34 -5.541 7.570 -13.353 1.00 0.00 C ATOM 530 OD1 ASN A 34 -4.879 8.276 -14.110 1.00 0.00 O ATOM 531 ND2 ASN A 34 -6.536 8.048 -12.620 1.00 0.00 N ATOM 0 H ASN A 34 -6.064 3.964 -14.181 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.648 6.217 -15.267 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.182 5.567 -12.974 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.580 5.935 -12.367 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.778 9.038 -12.672 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.060 7.426 -12.004 1.00 0.00 H new ATOM 538 N GLU A 35 -2.959 4.006 -13.481 1.00 0.00 N ATOM 539 CA GLU A 35 -1.603 3.524 -13.239 1.00 0.00 C ATOM 540 C GLU A 35 -1.103 2.715 -14.442 1.00 0.00 C ATOM 541 O GLU A 35 0.093 2.480 -14.587 1.00 0.00 O ATOM 542 CB GLU A 35 -1.543 2.686 -11.957 1.00 0.00 C ATOM 543 CG GLU A 35 -1.351 3.524 -10.693 1.00 0.00 C ATOM 544 CD GLU A 35 0.046 4.114 -10.560 1.00 0.00 C ATOM 545 OE1 GLU A 35 0.569 4.653 -11.560 1.00 0.00 O ATOM 546 OE2 GLU A 35 0.613 4.048 -9.449 1.00 0.00 O ATOM 0 H GLU A 35 -3.693 3.460 -13.030 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.949 4.386 -13.107 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.463 2.109 -11.865 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.725 1.970 -12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.080 4.334 -10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.559 2.904 -9.821 1.00 0.00 H new ATOM 553 N ALA A 36 -2.032 2.321 -15.318 1.00 0.00 N ATOM 554 CA ALA A 36 -1.719 1.578 -16.531 1.00 0.00 C ATOM 555 C ALA A 36 -1.406 2.536 -17.676 1.00 0.00 C ATOM 556 O ALA A 36 -0.634 2.208 -18.573 1.00 0.00 O ATOM 557 CB ALA A 36 -2.889 0.682 -16.907 1.00 0.00 C ATOM 0 H ALA A 36 -3.027 2.512 -15.200 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.841 0.959 -16.345 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.647 0.130 -17.815 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.085 -0.020 -16.097 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.775 1.293 -17.079 1.00 0.00 H new ATOM 563 N ARG A 37 -2.023 3.723 -17.640 1.00 0.00 N ATOM 564 CA ARG A 37 -1.805 4.735 -18.671 1.00 0.00 C ATOM 565 C ARG A 37 -0.471 5.399 -18.476 1.00 0.00 C ATOM 566 O ARG A 37 0.359 5.458 -19.384 1.00 0.00 O ATOM 567 CB ARG A 37 -2.839 5.845 -18.595 1.00 0.00 C ATOM 568 CG ARG A 37 -3.880 5.811 -19.702 1.00 0.00 C ATOM 569 CD ARG A 37 -3.233 5.760 -21.076 1.00 0.00 C ATOM 570 NE ARG A 37 -3.702 4.606 -21.851 1.00 0.00 N ATOM 571 CZ ARG A 37 -3.348 4.345 -23.101 1.00 0.00 C ATOM 572 NH1 ARG A 37 -2.509 5.138 -23.741 1.00 0.00 N ATOM 573 NH2 ARG A 37 -3.833 3.277 -23.704 1.00 0.00 N ATOM 0 H ARG A 37 -2.676 4.003 -16.908 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.867 4.216 -19.628 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.348 5.786 -17.633 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.325 6.806 -18.625 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.524 4.942 -19.570 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.516 6.693 -19.631 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.457 6.679 -21.618 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.150 5.710 -20.967 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.346 3.959 -21.396 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.127 5.960 -23.273 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.243 4.929 -24.703 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.476 2.659 -23.208 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.566 3.069 -24.666 1.00 0.00 H new ATOM 587 N ARG A 38 -0.293 5.932 -17.274 1.00 0.00 N ATOM 588 CA ARG A 38 0.924 6.632 -16.944 1.00 0.00 C ATOM 589 C ARG A 38 2.044 5.670 -16.510 1.00 0.00 C ATOM 590 O ARG A 38 3.217 5.914 -16.794 1.00 0.00 O ATOM 591 CB ARG A 38 0.663 7.671 -15.847 1.00 0.00 C ATOM 592 CG ARG A 38 0.508 9.088 -16.381 1.00 0.00 C ATOM 593 CD ARG A 38 1.268 10.095 -15.531 1.00 0.00 C ATOM 594 NE ARG A 38 0.888 11.476 -15.853 1.00 0.00 N ATOM 595 CZ ARG A 38 1.314 12.146 -16.920 1.00 0.00 C ATOM 596 NH1 ARG A 38 2.179 11.601 -17.754 1.00 0.00 N ATOM 597 NH2 ARG A 38 0.879 13.369 -17.144 1.00 0.00 N ATOM 0 H ARG A 38 -0.978 5.889 -16.519 1.00 0.00 H new ATOM 0 HA ARG A 38 1.260 7.141 -17.847 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.240 7.395 -15.303 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.485 7.648 -15.132 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.870 9.132 -17.408 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.549 9.355 -16.404 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.073 9.901 -14.476 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.339 9.967 -15.686 1.00 0.00 H new ATOM 0 HE ARG A 38 0.253 11.955 -15.214 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.527 10.658 -17.583 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.500 12.123 -18.570 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.217 13.801 -16.500 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.205 13.884 -17.962 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.797 -12.749 5.384 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.855 -12.391 3.960 1.00 0.00 C ATOM 1186 C LYS B 102 -6.286 -12.474 3.430 1.00 0.00 C ATOM 1187 O LYS B 102 -6.873 -13.554 3.360 1.00 0.00 O ATOM 1188 CB LYS B 102 -3.922 -13.271 3.115 1.00 0.00 C ATOM 1189 CG LYS B 102 -2.448 -13.099 3.449 1.00 0.00 C ATOM 1190 CD LYS B 102 -1.802 -12.027 2.582 1.00 0.00 C ATOM 1191 CE LYS B 102 -1.968 -10.639 3.180 1.00 0.00 C ATOM 1192 NZ LYS B 102 -0.866 -10.310 4.126 1.00 0.00 N ATOM 0 HA LYS B 102 -4.512 -11.360 3.875 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.197 -14.316 3.256 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.076 -13.040 2.061 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.341 -12.832 4.500 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -1.928 -14.046 3.306 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -0.741 -12.247 2.463 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -2.246 -12.049 1.587 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -1.994 -9.899 2.380 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -2.924 -10.579 3.700 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -1.201 -9.612 4.820 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -0.564 -11.173 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -0.062 -9.915 3.598 1.00 0.00 H new ATOM 1206 N GLN B 103 -6.840 -11.324 3.054 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.200 -11.261 2.529 1.00 0.00 C ATOM 1208 C GLN B 103 -8.197 -11.212 1.013 1.00 0.00 C ATOM 1209 O GLN B 103 -7.679 -10.276 0.406 1.00 0.00 O ATOM 1210 CB GLN B 103 -8.957 -10.056 3.114 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.261 -9.735 2.392 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.438 -10.544 2.905 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -11.611 -10.711 4.108 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -12.258 -11.045 1.992 1.00 0.00 N ATOM 0 H GLN B 103 -6.366 -10.422 3.104 1.00 0.00 H new ATOM 0 HA GLN B 103 -8.720 -12.169 2.834 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.173 -10.251 4.164 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.309 -9.180 3.079 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -10.480 -8.673 2.505 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -10.135 -9.923 1.326 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -12.078 -10.883 1.001 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -13.069 -11.593 2.280 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.764 -12.241 0.406 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.798 -12.335 -1.040 1.00 0.00 C ATOM 1225 C ARG B 104 -9.877 -11.459 -1.654 1.00 0.00 C ATOM 1226 O ARG B 104 -11.043 -11.847 -1.736 1.00 0.00 O ATOM 1227 CB ARG B 104 -9.023 -13.781 -1.478 1.00 0.00 C ATOM 1228 CG ARG B 104 -8.175 -14.193 -2.669 1.00 0.00 C ATOM 1229 CD ARG B 104 -8.069 -15.705 -2.776 1.00 0.00 C ATOM 1230 NE ARG B 104 -6.686 -16.177 -2.645 1.00 0.00 N ATOM 1231 CZ ARG B 104 -6.012 -16.244 -1.502 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -6.579 -15.898 -0.364 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.770 -16.686 -1.500 1.00 0.00 N ATOM 0 H ARG B 104 -9.206 -13.021 0.893 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.831 -11.981 -1.396 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -8.805 -14.444 -0.641 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -10.075 -13.917 -1.727 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -8.610 -13.791 -3.584 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -7.178 -13.762 -2.574 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -8.683 -16.166 -2.002 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -8.471 -16.028 -3.736 1.00 0.00 H new ATOM 0 HE ARG B 104 -6.207 -16.476 -3.494 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -7.546 -15.574 -0.354 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -6.051 -15.954 0.507 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -4.330 -16.975 -2.374 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -4.249 -16.739 -0.625 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.456 -10.305 -2.146 1.00 0.00 N ATOM 1248 CA ILE B 105 -10.356 -9.400 -2.839 1.00 0.00 C ATOM 1249 C ILE B 105 -10.066 -9.560 -4.308 1.00 0.00 C ATOM 1250 O ILE B 105 -8.933 -9.354 -4.744 1.00 0.00 O ATOM 1251 CB ILE B 105 -10.183 -7.920 -2.432 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -9.278 -7.187 -3.426 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -9.621 -7.838 -1.030 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -9.089 -5.717 -3.139 1.00 0.00 C ATOM 0 H ILE B 105 -8.494 -9.973 -2.078 1.00 0.00 H new ATOM 0 HA ILE B 105 -11.383 -9.654 -2.578 1.00 0.00 H new ATOM 0 HB ILE B 105 -11.158 -7.433 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -8.301 -7.671 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -9.695 -7.297 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -9.501 -6.792 -0.747 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -10.304 -8.326 -0.335 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -8.652 -8.337 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -8.434 -5.280 -3.893 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -10.056 -5.214 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -8.640 -5.593 -2.153 1.00 0.00 H new ATOM 1266 N THR B 106 -11.042 -9.987 -5.064 1.00 0.00 N ATOM 1267 CA THR B 106 -10.809 -10.224 -6.464 1.00 0.00 C ATOM 1268 C THR B 106 -11.730 -9.415 -7.361 1.00 0.00 C ATOM 1269 O THR B 106 -12.955 -9.458 -7.238 1.00 0.00 O ATOM 1270 CB THR B 106 -10.903 -11.735 -6.765 1.00 0.00 C ATOM 1271 OG1 THR B 106 -11.866 -11.996 -7.764 1.00 0.00 O ATOM 1272 CG2 THR B 106 -11.254 -12.600 -5.561 1.00 0.00 C ATOM 0 H THR B 106 -11.991 -10.175 -4.742 1.00 0.00 H new ATOM 0 HA THR B 106 -9.800 -9.881 -6.692 1.00 0.00 H new ATOM 0 HB THR B 106 -9.898 -12.002 -7.093 1.00 0.00 H new ATOM 0 HG1 THR B 106 -12.488 -12.684 -7.447 1.00 0.00 H new ATOM 0 HG21 THR B 106 -11.298 -13.646 -5.865 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.492 -12.478 -4.791 1.00 0.00 H new ATOM 0 HG23 THR B 106 -12.223 -12.296 -5.165 1.00 0.00 H new ATOM 1280 N VAL B 107 -11.110 -8.733 -8.323 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.837 -7.977 -9.325 1.00 0.00 C ATOM 1282 C VAL B 107 -11.894 -8.849 -10.566 1.00 0.00 C ATOM 1283 O VAL B 107 -10.939 -8.894 -11.337 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.173 -6.587 -9.648 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -11.073 -6.294 -11.167 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -11.944 -5.493 -8.944 1.00 0.00 C ATOM 0 H VAL B 107 -10.096 -8.693 -8.424 1.00 0.00 H new ATOM 0 HA VAL B 107 -12.833 -7.738 -8.952 1.00 0.00 H new ATOM 0 HB VAL B 107 -10.147 -6.622 -9.282 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -10.606 -5.321 -11.320 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -10.471 -7.065 -11.647 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -12.072 -6.290 -11.603 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.489 -4.527 -9.164 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -12.977 -5.495 -9.292 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -11.923 -5.667 -7.868 1.00 0.00 H new ATOM 1296 N THR B 108 -12.989 -9.583 -10.751 1.00 0.00 N ATOM 1297 CA THR B 108 -13.108 -10.450 -11.905 1.00 0.00 C ATOM 1298 C THR B 108 -13.261 -9.592 -13.145 1.00 0.00 C ATOM 1299 O THR B 108 -14.324 -9.544 -13.766 1.00 0.00 O ATOM 1300 CB THR B 108 -14.280 -11.409 -11.752 1.00 0.00 C ATOM 1301 OG1 THR B 108 -15.489 -10.718 -11.506 1.00 0.00 O ATOM 1302 CG2 THR B 108 -14.090 -12.413 -10.656 1.00 0.00 C ATOM 0 H THR B 108 -13.792 -9.591 -10.123 1.00 0.00 H new ATOM 0 HA THR B 108 -12.209 -11.059 -11.995 1.00 0.00 H new ATOM 0 HB THR B 108 -14.329 -11.939 -12.703 1.00 0.00 H new ATOM 0 HG1 THR B 108 -15.646 -10.069 -12.223 1.00 0.00 H new ATOM 0 HG21 THR B 108 -14.963 -13.064 -10.603 1.00 0.00 H new ATOM 0 HG22 THR B 108 -13.203 -13.012 -10.861 1.00 0.00 H new ATOM 0 HG23 THR B 108 -13.966 -11.895 -9.705 1.00 0.00 H new ATOM 1310 N VAL B 109 -12.184 -8.888 -13.461 1.00 0.00 N ATOM 1311 CA VAL B 109 -12.147 -7.985 -14.589 1.00 0.00 C ATOM 1312 C VAL B 109 -11.910 -8.745 -15.904 1.00 0.00 C ATOM 1313 O VAL B 109 -12.797 -9.496 -16.306 1.00 0.00 O ATOM 1314 CB VAL B 109 -11.132 -6.840 -14.333 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -9.757 -7.385 -14.015 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -11.082 -5.844 -15.482 1.00 0.00 C ATOM 0 H VAL B 109 -11.310 -8.931 -12.936 1.00 0.00 H new ATOM 0 HA VAL B 109 -13.122 -7.510 -14.701 1.00 0.00 H new ATOM 0 HB VAL B 109 -11.486 -6.294 -13.459 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -9.069 -6.558 -13.841 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -9.810 -8.007 -13.122 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -9.400 -7.983 -14.853 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -10.357 -5.062 -15.255 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -10.786 -6.358 -16.397 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -12.067 -5.397 -15.619 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.804 -8.496 -16.633 1.00 0.00 N ATOM 1327 CA ASP B 110 -10.600 -9.109 -17.961 1.00 0.00 C ATOM 1328 C ASP B 110 -11.307 -8.218 -18.989 1.00 0.00 C ATOM 1329 O ASP B 110 -11.310 -8.479 -20.192 1.00 0.00 O ATOM 1330 CB ASP B 110 -11.171 -10.524 -18.028 1.00 0.00 C ATOM 1331 CG ASP B 110 -10.817 -11.265 -19.298 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -9.619 -11.357 -19.624 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -11.748 -11.771 -19.960 1.00 0.00 O ATOM 0 H ASP B 110 -10.047 -7.883 -16.330 1.00 0.00 H new ATOM 0 HA ASP B 110 -9.532 -9.186 -18.164 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -10.807 -11.093 -17.173 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -12.256 -10.473 -17.939 1.00 0.00 H new ATOM 1338 N SER B 111 -11.885 -7.138 -18.461 1.00 0.00 N ATOM 1339 CA SER B 111 -12.588 -6.146 -19.235 1.00 0.00 C ATOM 1340 C SER B 111 -11.710 -4.921 -19.444 1.00 0.00 C ATOM 1341 O SER B 111 -11.361 -4.611 -20.584 1.00 0.00 O ATOM 1342 CB SER B 111 -13.898 -5.748 -18.543 1.00 0.00 C ATOM 1343 OG SER B 111 -15.007 -6.414 -19.126 1.00 0.00 O ATOM 0 H SER B 111 -11.870 -6.936 -17.461 1.00 0.00 H new ATOM 0 HA SER B 111 -12.829 -6.576 -20.207 1.00 0.00 H new ATOM 0 HB2 SER B 111 -13.841 -5.991 -17.482 1.00 0.00 H new ATOM 0 HB3 SER B 111 -14.038 -4.670 -18.616 1.00 0.00 H new ATOM 0 HG SER B 111 -15.829 -6.144 -18.666 1.00 0.00 H new ATOM 1349 N ASP B 112 -11.395 -4.169 -18.367 1.00 0.00 N ATOM 1350 CA ASP B 112 -10.615 -2.948 -18.582 1.00 0.00 C ATOM 1351 C ASP B 112 -9.433 -2.720 -17.634 1.00 0.00 C ATOM 1352 O ASP B 112 -9.512 -2.938 -16.426 1.00 0.00 O ATOM 1353 CB ASP B 112 -11.556 -1.733 -18.536 1.00 0.00 C ATOM 1354 CG ASP B 112 -11.774 -1.201 -17.132 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -10.974 -0.345 -16.694 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -12.738 -1.644 -16.473 1.00 0.00 O ATOM 0 H ASP B 112 -11.652 -4.373 -17.401 1.00 0.00 H new ATOM 0 HA ASP B 112 -10.155 -3.078 -19.562 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -11.145 -0.939 -19.159 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -12.518 -2.010 -18.967 1.00 0.00 H new ATOM 1361 N SER B 113 -8.369 -2.181 -18.233 1.00 0.00 N ATOM 1362 CA SER B 113 -7.127 -1.751 -17.556 1.00 0.00 C ATOM 1363 C SER B 113 -6.476 -2.696 -16.528 1.00 0.00 C ATOM 1364 O SER B 113 -5.274 -2.557 -16.284 1.00 0.00 O ATOM 1365 CB SER B 113 -7.388 -0.412 -16.875 1.00 0.00 C ATOM 1366 OG SER B 113 -8.528 0.236 -17.419 1.00 0.00 O ATOM 0 H SER B 113 -8.340 -2.023 -19.240 1.00 0.00 H new ATOM 0 HA SER B 113 -6.399 -1.719 -18.367 1.00 0.00 H new ATOM 0 HB2 SER B 113 -7.533 -0.569 -15.806 1.00 0.00 H new ATOM 0 HB3 SER B 113 -6.515 0.231 -16.987 1.00 0.00 H new ATOM 0 HG SER B 113 -9.278 0.157 -16.794 1.00 0.00 H new ATOM 1372 N TYR B 114 -7.213 -3.618 -15.907 1.00 0.00 N ATOM 1373 CA TYR B 114 -6.603 -4.493 -14.902 1.00 0.00 C ATOM 1374 C TYR B 114 -5.348 -5.176 -15.439 1.00 0.00 C ATOM 1375 O TYR B 114 -4.255 -5.017 -14.893 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.553 -5.573 -14.402 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.836 -6.884 -14.112 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -5.960 -7.018 -13.033 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -7.017 -7.979 -14.940 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -5.305 -8.203 -12.792 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -6.364 -9.167 -14.705 1.00 0.00 C ATOM 1382 CZ TYR B 114 -5.511 -9.279 -13.632 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.869 -10.473 -13.399 1.00 0.00 O ATOM 0 H TYR B 114 -8.206 -3.777 -16.075 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.347 -3.837 -14.070 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -8.050 -5.225 -13.496 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.330 -5.744 -15.147 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -5.794 -6.177 -12.376 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -7.683 -7.899 -15.786 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.634 -8.291 -11.951 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -6.521 -10.010 -15.362 1.00 0.00 H new ATOM 0 HH TYR B 114 -5.522 -11.204 -13.415 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.530 -5.983 -16.485 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.434 -6.744 -17.066 1.00 0.00 C ATOM 1395 C GLN B 115 -3.210 -5.870 -17.344 1.00 0.00 C ATOM 1396 O GLN B 115 -2.089 -6.319 -17.149 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.891 -7.440 -18.354 1.00 0.00 C ATOM 1398 CG GLN B 115 -6.159 -8.273 -18.191 1.00 0.00 C ATOM 1399 CD GLN B 115 -6.628 -8.900 -19.490 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -6.575 -8.280 -20.550 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -7.090 -10.137 -19.414 1.00 0.00 N ATOM 0 H GLN B 115 -6.430 -6.124 -16.945 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.139 -7.497 -16.335 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -5.060 -6.686 -19.122 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.088 -8.085 -18.711 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -5.978 -9.060 -17.459 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -6.953 -7.642 -17.791 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -7.117 -10.617 -18.514 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -7.419 -10.611 -20.255 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.420 -4.629 -17.783 1.00 0.00 N ATOM 1411 CA LEU B 116 -2.301 -3.719 -18.073 1.00 0.00 C ATOM 1412 C LEU B 116 -1.405 -3.488 -16.850 1.00 0.00 C ATOM 1413 O LEU B 116 -0.196 -3.711 -16.910 1.00 0.00 O ATOM 1414 CB LEU B 116 -2.830 -2.366 -18.564 1.00 0.00 C ATOM 1415 CG LEU B 116 -2.344 -1.938 -19.949 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -3.248 -0.858 -20.519 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -0.906 -1.446 -19.880 1.00 0.00 C ATOM 0 H LEU B 116 -4.344 -4.229 -17.946 1.00 0.00 H new ATOM 0 HA LEU B 116 -1.701 -4.196 -18.849 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -3.919 -2.403 -18.575 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -2.544 -1.600 -17.844 1.00 0.00 H new ATOM 0 HG LEU B 116 -2.381 -2.804 -20.610 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -2.888 -0.565 -21.505 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.265 -1.242 -20.603 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -3.241 0.009 -19.858 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -0.576 -1.145 -20.874 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -0.845 -0.593 -19.204 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -0.265 -2.247 -19.512 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.005 -3.008 -15.758 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.227 -2.713 -14.542 1.00 0.00 C ATOM 1431 C LEU B 117 -0.326 -3.883 -14.151 1.00 0.00 C ATOM 1432 O LEU B 117 0.852 -3.704 -13.837 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.123 -2.345 -13.377 1.00 0.00 C ATOM 1434 CG LEU B 117 -1.909 -0.935 -12.816 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -2.901 -0.633 -11.707 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -0.488 -0.773 -12.304 1.00 0.00 C ATOM 0 H LEU B 117 -3.004 -2.817 -15.685 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.598 -1.855 -14.779 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.162 -2.440 -13.693 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -1.966 -3.067 -12.575 1.00 0.00 H new ATOM 0 HG LEU B 117 -2.074 -0.225 -13.626 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -2.727 0.374 -11.327 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -3.916 -0.703 -12.098 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.773 -1.353 -10.899 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.356 0.235 -11.910 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -0.301 -1.499 -11.513 1.00 0.00 H new ATOM 0 HD23 LEU B 117 0.214 -0.938 -13.121 1.00 0.00 H new ATOM 1448 N LYS B 118 -0.892 -5.075 -14.180 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.168 -6.292 -13.831 1.00 0.00 C ATOM 1450 C LYS B 118 0.698 -6.794 -14.974 1.00 0.00 C ATOM 1451 O LYS B 118 1.794 -7.310 -14.760 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.154 -7.369 -13.400 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.073 -7.806 -14.516 1.00 0.00 C ATOM 1454 CD LYS B 118 -2.428 -9.276 -14.384 1.00 0.00 C ATOM 1455 CE LYS B 118 -3.002 -9.843 -15.670 1.00 0.00 C ATOM 1456 NZ LYS B 118 -1.951 -10.499 -16.499 1.00 0.00 N ATOM 0 H LYS B 118 -1.864 -5.231 -14.445 1.00 0.00 H new ATOM 0 HA LYS B 118 0.502 -6.055 -13.004 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -0.602 -8.233 -13.032 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -1.752 -6.995 -12.569 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -2.983 -7.206 -14.499 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -1.592 -7.629 -15.478 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -1.538 -9.840 -14.105 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -3.151 -9.403 -13.578 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -3.783 -10.566 -15.433 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -3.471 -9.043 -16.243 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -2.379 -10.874 -17.369 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -1.219 -9.803 -16.746 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -1.521 -11.278 -15.961 1.00 0.00 H new ATOM 1470 N ALA B 119 0.185 -6.643 -16.179 1.00 0.00 N ATOM 1471 CA ALA B 119 0.887 -7.080 -17.380 1.00 0.00 C ATOM 1472 C ALA B 119 2.120 -6.229 -17.627 1.00 0.00 C ATOM 1473 O ALA B 119 3.069 -6.673 -18.274 1.00 0.00 O ATOM 1474 CB ALA B 119 -0.031 -7.061 -18.595 1.00 0.00 C ATOM 0 H ALA B 119 -0.724 -6.217 -16.358 1.00 0.00 H new ATOM 0 HA ALA B 119 1.208 -8.109 -17.219 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.522 -7.392 -19.474 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.875 -7.730 -18.424 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -0.398 -6.048 -18.758 1.00 0.00 H new ATOM 1480 N TYR B 120 2.113 -5.007 -17.094 1.00 0.00 N ATOM 1481 CA TYR B 120 3.241 -4.122 -17.249 1.00 0.00 C ATOM 1482 C TYR B 120 4.245 -4.370 -16.127 1.00 0.00 C ATOM 1483 O TYR B 120 5.438 -4.455 -16.402 1.00 0.00 O ATOM 1484 CB TYR B 120 2.786 -2.649 -17.349 1.00 0.00 C ATOM 1485 CG TYR B 120 2.880 -1.812 -16.083 1.00 0.00 C ATOM 1486 CD1 TYR B 120 4.084 -1.637 -15.412 1.00 0.00 C ATOM 1487 CD2 TYR B 120 1.757 -1.161 -15.586 1.00 0.00 C ATOM 1488 CE1 TYR B 120 4.163 -0.849 -14.279 1.00 0.00 C ATOM 1489 CE2 TYR B 120 1.829 -0.367 -14.461 1.00 0.00 C ATOM 1490 CZ TYR B 120 3.034 -0.214 -13.809 1.00 0.00 C ATOM 1491 OH TYR B 120 3.115 0.581 -12.689 1.00 0.00 O ATOM 0 H TYR B 120 1.338 -4.620 -16.556 1.00 0.00 H new ATOM 0 HA TYR B 120 3.747 -4.336 -18.190 1.00 0.00 H new ATOM 0 HB2 TYR B 120 3.380 -2.162 -18.122 1.00 0.00 H new ATOM 0 HB3 TYR B 120 1.750 -2.636 -17.688 1.00 0.00 H new ATOM 0 HD1 TYR B 120 4.974 -2.125 -15.782 1.00 0.00 H new ATOM 0 HD2 TYR B 120 0.810 -1.279 -16.091 1.00 0.00 H new ATOM 0 HE1 TYR B 120 5.105 -0.732 -13.765 1.00 0.00 H new ATOM 0 HE2 TYR B 120 0.945 0.133 -14.092 1.00 0.00 H new ATOM 0 HH TYR B 120 2.232 0.956 -12.490 1.00 0.00 H new ATOM 1501 N ASP B 121 3.764 -4.540 -14.874 1.00 0.00 N ATOM 1502 CA ASP B 121 4.686 -4.838 -13.748 1.00 0.00 C ATOM 1503 C ASP B 121 4.075 -4.608 -12.358 1.00 0.00 C ATOM 1504 O ASP B 121 4.811 -4.475 -11.377 1.00 0.00 O ATOM 1505 CB ASP B 121 5.973 -4.001 -13.858 1.00 0.00 C ATOM 1506 CG ASP B 121 7.214 -4.848 -14.072 1.00 0.00 C ATOM 1507 OD1 ASP B 121 7.293 -5.956 -13.496 1.00 0.00 O ATOM 1508 OD2 ASP B 121 8.114 -4.397 -14.809 1.00 0.00 O ATOM 0 H ASP B 121 2.778 -4.479 -14.619 1.00 0.00 H new ATOM 0 HA ASP B 121 4.903 -5.902 -13.838 1.00 0.00 H new ATOM 0 HB2 ASP B 121 5.873 -3.297 -14.685 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.095 -3.411 -12.950 1.00 0.00 H new ATOM 1513 N VAL B 122 2.753 -4.534 -12.251 1.00 0.00 N ATOM 1514 CA VAL B 122 2.128 -4.282 -10.963 1.00 0.00 C ATOM 1515 C VAL B 122 0.783 -4.977 -10.817 1.00 0.00 C ATOM 1516 O VAL B 122 -0.265 -4.370 -11.062 1.00 0.00 O ATOM 1517 CB VAL B 122 1.951 -2.760 -10.768 1.00 0.00 C ATOM 1518 CG1 VAL B 122 1.126 -2.446 -9.529 1.00 0.00 C ATOM 1519 CG2 VAL B 122 3.302 -2.069 -10.693 1.00 0.00 C ATOM 0 H VAL B 122 2.103 -4.643 -13.030 1.00 0.00 H new ATOM 0 HA VAL B 122 2.785 -4.692 -10.196 1.00 0.00 H new ATOM 0 HB VAL B 122 1.409 -2.379 -11.634 1.00 0.00 H new ATOM 0 HG11 VAL B 122 1.023 -1.366 -9.425 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.138 -2.897 -9.625 1.00 0.00 H new ATOM 0 HG13 VAL B 122 1.625 -2.850 -8.648 1.00 0.00 H new ATOM 0 HG21 VAL B 122 3.156 -0.998 -10.556 1.00 0.00 H new ATOM 0 HG22 VAL B 122 3.869 -2.469 -9.852 1.00 0.00 H new ATOM 0 HG23 VAL B 122 3.852 -2.244 -11.617 1.00 0.00 H new ATOM 1529 N ASN B 123 0.799 -6.249 -10.398 1.00 0.00 N ATOM 1530 CA ASN B 123 -0.451 -6.995 -10.195 1.00 0.00 C ATOM 1531 C ASN B 123 -1.208 -6.429 -8.992 1.00 0.00 C ATOM 1532 O ASN B 123 -1.635 -7.158 -8.100 1.00 0.00 O ATOM 1533 CB ASN B 123 -0.209 -8.491 -9.994 1.00 0.00 C ATOM 1534 CG ASN B 123 1.049 -8.992 -10.677 1.00 0.00 C ATOM 1535 OD1 ASN B 123 1.053 -9.259 -11.875 1.00 0.00 O ATOM 1536 ND2 ASN B 123 2.126 -9.115 -9.918 1.00 0.00 N ATOM 0 H ASN B 123 1.648 -6.777 -10.196 1.00 0.00 H new ATOM 0 HA ASN B 123 -1.047 -6.878 -11.100 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -0.143 -8.701 -8.926 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -1.067 -9.045 -10.375 1.00 0.00 H new ATOM 0 HD21 ASN B 123 3.002 -9.442 -10.325 1.00 0.00 H new ATOM 0 HD22 ASN B 123 2.080 -8.882 -8.926 1.00 0.00 H new ATOM 1543 N ILE B 124 -1.355 -5.108 -9.028 1.00 0.00 N ATOM 1544 CA ILE B 124 -2.029 -4.256 -8.072 1.00 0.00 C ATOM 1545 C ILE B 124 -2.015 -4.612 -6.581 1.00 0.00 C ATOM 1546 O ILE B 124 -2.626 -3.894 -5.791 1.00 0.00 O ATOM 1547 CB ILE B 124 -3.434 -3.988 -8.526 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.052 -5.208 -9.188 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -3.442 -2.805 -9.475 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.195 -6.353 -8.252 1.00 0.00 C ATOM 0 H ILE B 124 -0.968 -4.564 -9.799 1.00 0.00 H new ATOM 0 HA ILE B 124 -1.393 -3.371 -8.085 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.039 -3.755 -7.650 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -5.032 -4.944 -9.586 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -3.435 -5.510 -10.034 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -4.462 -2.610 -9.805 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -3.052 -1.925 -8.963 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -2.817 -3.028 -10.340 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.641 -7.198 -8.776 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.213 -6.638 -7.874 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.835 -6.064 -7.419 1.00 0.00 H new ATOM 1562 N SER B 125 -1.369 -5.688 -6.200 1.00 0.00 N ATOM 1563 CA SER B 125 -1.329 -6.108 -4.791 1.00 0.00 C ATOM 1564 C SER B 125 -1.213 -4.890 -3.862 1.00 0.00 C ATOM 1565 O SER B 125 -2.124 -4.613 -3.068 1.00 0.00 O ATOM 1566 CB SER B 125 -0.157 -7.077 -4.571 1.00 0.00 C ATOM 1567 OG SER B 125 0.914 -6.474 -3.859 1.00 0.00 O ATOM 0 H SER B 125 -0.858 -6.300 -6.836 1.00 0.00 H new ATOM 0 HA SER B 125 -2.260 -6.622 -4.550 1.00 0.00 H new ATOM 0 HB2 SER B 125 -0.509 -7.951 -4.022 1.00 0.00 H new ATOM 0 HB3 SER B 125 0.205 -7.431 -5.536 1.00 0.00 H new ATOM 0 HG SER B 125 1.636 -7.126 -3.740 1.00 0.00 H new ATOM 1573 N GLY B 126 -0.112 -4.149 -3.992 1.00 0.00 N ATOM 1574 CA GLY B 126 0.090 -2.956 -3.187 1.00 0.00 C ATOM 1575 C GLY B 126 -0.656 -1.748 -3.731 1.00 0.00 C ATOM 1576 O GLY B 126 -1.011 -0.848 -2.969 1.00 0.00 O ATOM 0 H GLY B 126 0.645 -4.356 -4.643 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -0.239 -3.151 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY B 126 1.155 -2.730 -3.141 1.00 0.00 H new ATOM 1580 N LEU B 127 -0.899 -1.728 -5.045 1.00 0.00 N ATOM 1581 CA LEU B 127 -1.609 -0.628 -5.683 1.00 0.00 C ATOM 1582 C LEU B 127 -3.064 -0.581 -5.229 1.00 0.00 C ATOM 1583 O LEU B 127 -3.496 0.408 -4.633 1.00 0.00 O ATOM 1584 CB LEU B 127 -1.539 -0.767 -7.207 1.00 0.00 C ATOM 1585 CG LEU B 127 -2.353 0.254 -8.004 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -3.799 -0.202 -8.122 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -2.274 1.628 -7.358 1.00 0.00 C ATOM 0 H LEU B 127 -0.611 -2.467 -5.686 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.128 0.304 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -0.496 -0.691 -7.513 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -1.879 -1.767 -7.478 1.00 0.00 H new ATOM 0 HG LEU B 127 -1.930 0.327 -9.006 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -4.367 0.534 -8.691 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -3.837 -1.164 -8.633 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.231 -0.303 -7.126 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -2.860 2.338 -7.941 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -2.670 1.577 -6.344 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -1.235 1.955 -7.325 1.00 0.00 H new ATOM 1599 N VAL B 128 -3.820 -1.653 -5.511 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.222 -1.709 -5.122 1.00 0.00 C ATOM 1601 C VAL B 128 -5.410 -1.315 -3.659 1.00 0.00 C ATOM 1602 O VAL B 128 -5.972 -0.260 -3.377 1.00 0.00 O ATOM 1603 CB VAL B 128 -5.816 -3.108 -5.384 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -7.092 -3.336 -4.581 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.084 -3.274 -6.867 1.00 0.00 C ATOM 0 H VAL B 128 -3.481 -2.480 -6.002 1.00 0.00 H new ATOM 0 HA VAL B 128 -5.759 -0.988 -5.738 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.092 -3.855 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.481 -4.332 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -6.872 -3.250 -3.517 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.836 -2.589 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -6.504 -4.263 -7.052 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -6.790 -2.512 -7.197 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -5.151 -3.167 -7.420 1.00 0.00 H new ATOM 1615 N SER B 129 -4.923 -2.155 -2.734 1.00 0.00 N ATOM 1616 CA SER B 129 -5.043 -1.888 -1.299 1.00 0.00 C ATOM 1617 C SER B 129 -4.584 -0.478 -0.935 1.00 0.00 C ATOM 1618 O SER B 129 -5.133 0.130 -0.018 1.00 0.00 O ATOM 1619 CB SER B 129 -4.260 -2.917 -0.494 1.00 0.00 C ATOM 1620 OG SER B 129 -5.089 -3.513 0.493 1.00 0.00 O ATOM 0 H SER B 129 -4.442 -3.026 -2.958 1.00 0.00 H new ATOM 0 HA SER B 129 -6.101 -1.965 -1.048 1.00 0.00 H new ATOM 0 HB2 SER B 129 -3.867 -3.686 -1.160 1.00 0.00 H new ATOM 0 HB3 SER B 129 -3.404 -2.440 -0.018 1.00 0.00 H new ATOM 0 HG SER B 129 -5.960 -3.730 0.101 1.00 0.00 H new ATOM 1626 N THR B 130 -3.615 0.068 -1.670 1.00 0.00 N ATOM 1627 CA THR B 130 -3.169 1.431 -1.410 1.00 0.00 C ATOM 1628 C THR B 130 -4.259 2.365 -1.868 1.00 0.00 C ATOM 1629 O THR B 130 -4.767 3.186 -1.101 1.00 0.00 O ATOM 1630 CB THR B 130 -1.884 1.768 -2.158 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.778 1.113 -1.576 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.595 3.254 -2.176 1.00 0.00 C ATOM 0 H THR B 130 -3.133 -0.404 -2.435 1.00 0.00 H new ATOM 0 HA THR B 130 -2.965 1.534 -0.344 1.00 0.00 H new ATOM 0 HB THR B 130 -2.036 1.427 -3.182 1.00 0.00 H new ATOM 0 HG1 THR B 130 -0.743 0.186 -1.892 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.669 3.438 -2.721 1.00 0.00 H new ATOM 0 HG22 THR B 130 -2.415 3.778 -2.666 1.00 0.00 H new ATOM 0 HG23 THR B 130 -1.492 3.617 -1.153 1.00 0.00 H new ATOM 1640 N THR B 131 -4.640 2.200 -3.134 1.00 0.00 N ATOM 1641 CA THR B 131 -5.698 2.995 -3.705 1.00 0.00 C ATOM 1642 C THR B 131 -6.938 2.883 -2.827 1.00 0.00 C ATOM 1643 O THR B 131 -7.664 3.860 -2.629 1.00 0.00 O ATOM 1644 CB THR B 131 -6.011 2.552 -5.133 1.00 0.00 C ATOM 1645 OG1 THR B 131 -4.996 2.980 -6.022 1.00 0.00 O ATOM 1646 CG2 THR B 131 -7.324 3.097 -5.648 1.00 0.00 C ATOM 0 H THR B 131 -4.226 1.522 -3.773 1.00 0.00 H new ATOM 0 HA THR B 131 -5.374 4.035 -3.748 1.00 0.00 H new ATOM 0 HB THR B 131 -6.072 1.464 -5.094 1.00 0.00 H new ATOM 0 HG1 THR B 131 -5.385 3.565 -6.705 1.00 0.00 H new ATOM 0 HG21 THR B 131 -7.489 2.747 -6.667 1.00 0.00 H new ATOM 0 HG22 THR B 131 -8.137 2.751 -5.009 1.00 0.00 H new ATOM 0 HG23 THR B 131 -7.294 4.187 -5.639 1.00 0.00 H new ATOM 1654 N MET B 132 -7.144 1.685 -2.278 1.00 0.00 N ATOM 1655 CA MET B 132 -8.262 1.418 -1.386 1.00 0.00 C ATOM 1656 C MET B 132 -8.282 2.434 -0.253 1.00 0.00 C ATOM 1657 O MET B 132 -9.266 3.132 -0.062 1.00 0.00 O ATOM 1658 CB MET B 132 -8.159 0.008 -0.788 1.00 0.00 C ATOM 1659 CG MET B 132 -8.125 -1.114 -1.810 1.00 0.00 C ATOM 1660 SD MET B 132 -9.248 -0.849 -3.171 1.00 0.00 S ATOM 1661 CE MET B 132 -10.406 -2.154 -2.821 1.00 0.00 C ATOM 0 H MET B 132 -6.541 0.879 -2.441 1.00 0.00 H new ATOM 0 HA MET B 132 -9.181 1.493 -1.968 1.00 0.00 H new ATOM 0 HB2 MET B 132 -7.258 -0.048 -0.177 1.00 0.00 H new ATOM 0 HB3 MET B 132 -9.006 -0.152 -0.121 1.00 0.00 H new ATOM 0 HG2 MET B 132 -7.111 -1.215 -2.197 1.00 0.00 H new ATOM 0 HG3 MET B 132 -8.374 -2.054 -1.318 1.00 0.00 H new ATOM 0 HE1 MET B 132 -11.332 -1.975 -3.367 1.00 0.00 H new ATOM 0 HE2 MET B 132 -9.982 -3.109 -3.129 1.00 0.00 H new ATOM 0 HE3 MET B 132 -10.615 -2.178 -1.751 1.00 0.00 H new ATOM 1671 N GLN B 133 -7.178 2.511 0.489 1.00 0.00 N ATOM 1672 CA GLN B 133 -7.055 3.441 1.613 1.00 0.00 C ATOM 1673 C GLN B 133 -7.250 4.895 1.181 1.00 0.00 C ATOM 1674 O GLN B 133 -7.807 5.697 1.933 1.00 0.00 O ATOM 1675 CB GLN B 133 -5.693 3.261 2.306 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.721 4.435 2.151 1.00 0.00 C ATOM 1677 CD GLN B 133 -4.608 5.290 3.402 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -3.579 5.294 4.069 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -5.662 6.028 3.724 1.00 0.00 N ATOM 0 H GLN B 133 -6.350 1.937 0.331 1.00 0.00 H new ATOM 0 HA GLN B 133 -7.850 3.207 2.321 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -5.864 3.090 3.369 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -5.218 2.363 1.911 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -3.735 4.050 1.892 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -5.047 5.060 1.320 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -6.501 5.999 3.145 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -5.633 6.625 4.551 1.00 0.00 H new ATOM 1688 N ASN B 134 -6.779 5.239 -0.017 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.903 6.609 -0.511 1.00 0.00 C ATOM 1690 C ASN B 134 -8.329 6.901 -0.967 1.00 0.00 C ATOM 1691 O ASN B 134 -8.916 7.906 -0.556 1.00 0.00 O ATOM 1692 CB ASN B 134 -5.859 6.880 -1.609 1.00 0.00 C ATOM 1693 CG ASN B 134 -6.444 7.222 -2.965 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -6.639 8.390 -3.296 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -6.689 6.205 -3.768 1.00 0.00 N ATOM 0 H ASN B 134 -6.313 4.596 -0.657 1.00 0.00 H new ATOM 0 HA ASN B 134 -6.695 7.300 0.306 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -5.217 7.700 -1.287 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -5.224 6.000 -1.713 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -7.055 6.372 -4.705 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -6.512 5.251 -3.452 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.911 6.015 -1.771 1.00 0.00 N ATOM 1703 CA GLU B 135 -10.288 6.213 -2.198 1.00 0.00 C ATOM 1704 C GLU B 135 -11.237 5.899 -1.040 1.00 0.00 C ATOM 1705 O GLU B 135 -12.376 6.348 -1.024 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.622 5.383 -3.443 1.00 0.00 C ATOM 1707 CG GLU B 135 -11.138 6.217 -4.622 1.00 0.00 C ATOM 1708 CD GLU B 135 -11.032 7.721 -4.404 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -9.903 8.255 -4.465 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -12.075 8.362 -4.163 1.00 0.00 O ATOM 0 H GLU B 135 -8.462 5.173 -2.131 1.00 0.00 H new ATOM 0 HA GLU B 135 -10.416 7.258 -2.480 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -9.730 4.840 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -11.373 4.638 -3.181 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -10.578 5.949 -5.518 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -12.180 5.959 -4.809 1.00 0.00 H new ATOM 1717 N ALA B 136 -10.737 5.155 -0.051 1.00 0.00 N ATOM 1718 CA ALA B 136 -11.519 4.823 1.134 1.00 0.00 C ATOM 1719 C ALA B 136 -11.671 6.059 2.006 1.00 0.00 C ATOM 1720 O ALA B 136 -12.776 6.400 2.422 1.00 0.00 O ATOM 1721 CB ALA B 136 -10.864 3.698 1.914 1.00 0.00 C ATOM 0 H ALA B 136 -9.792 4.772 -0.051 1.00 0.00 H new ATOM 0 HA ALA B 136 -12.506 4.482 0.821 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -11.465 3.467 2.794 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -10.790 2.813 1.283 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -9.866 4.005 2.227 1.00 0.00 H new ATOM 1727 N ARG B 137 -10.559 6.758 2.249 1.00 0.00 N ATOM 1728 CA ARG B 137 -10.612 7.977 3.041 1.00 0.00 C ATOM 1729 C ARG B 137 -11.403 9.032 2.308 1.00 0.00 C ATOM 1730 O ARG B 137 -12.374 9.583 2.827 1.00 0.00 O ATOM 1731 CB ARG B 137 -9.226 8.532 3.295 1.00 0.00 C ATOM 1732 CG ARG B 137 -8.814 8.488 4.754 1.00 0.00 C ATOM 1733 CD ARG B 137 -9.804 9.241 5.632 1.00 0.00 C ATOM 1734 NE ARG B 137 -10.925 8.392 6.061 1.00 0.00 N ATOM 1735 CZ ARG B 137 -12.035 8.849 6.634 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -12.163 10.137 6.901 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -13.014 8.017 6.937 1.00 0.00 N ATOM 0 H ARG B 137 -9.630 6.503 1.913 1.00 0.00 H new ATOM 0 HA ARG B 137 -11.083 7.726 3.991 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -8.504 7.968 2.705 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -9.187 9.564 2.946 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -8.747 7.451 5.084 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -7.821 8.923 4.867 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -9.287 9.628 6.510 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -10.191 10.101 5.085 1.00 0.00 H new ATOM 0 HE ARG B 137 -10.846 7.386 5.909 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -11.409 10.784 6.668 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -13.015 10.484 7.340 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -12.920 7.022 6.732 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -13.865 8.369 7.376 1.00 0.00 H new ATOM 1751 N ARG B 138 -10.953 9.315 1.098 1.00 0.00 N ATOM 1752 CA ARG B 138 -11.589 10.317 0.276 1.00 0.00 C ATOM 1753 C ARG B 138 -13.038 9.929 -0.057 1.00 0.00 C ATOM 1754 O ARG B 138 -13.956 10.725 0.137 1.00 0.00 O ATOM 1755 CB ARG B 138 -10.794 10.538 -1.017 1.00 0.00 C ATOM 1756 CG ARG B 138 -11.485 11.463 -2.011 1.00 0.00 C ATOM 1757 CD ARG B 138 -10.972 11.251 -3.427 1.00 0.00 C ATOM 1758 NE ARG B 138 -9.749 12.021 -3.672 1.00 0.00 N ATOM 1759 CZ ARG B 138 -8.526 11.503 -3.740 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -8.345 10.194 -3.769 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -7.485 12.309 -3.837 1.00 0.00 N ATOM 0 H ARG B 138 -10.148 8.861 0.667 1.00 0.00 H new ATOM 0 HA ARG B 138 -11.607 11.247 0.844 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -9.818 10.953 -0.766 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -10.618 9.574 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -12.561 11.288 -1.984 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -11.323 12.500 -1.717 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -10.776 10.191 -3.590 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -11.740 11.547 -4.142 1.00 0.00 H new ATOM 0 HE ARG B 138 -9.843 13.029 -3.800 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -9.149 9.567 -3.739 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -7.401 9.811 -3.821 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -7.623 13.319 -3.859 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -6.543 11.921 -3.890 1.00 0.00 H new