USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 731 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 27 SER OG : rot 180:sc= 0.00701 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -136:sc= -0.0366 (180deg=-1.85!) USER MOD Set 2.1: A 20 HIS : no HD1:sc= 0 X(o=-2.1,f=-2.1) USER MOD Set 2.2: A 31 TYR OH : rot 180:sc= -2.1! USER MOD Single : A 1 SER N :NH3+ 172:sc= -1.13 (180deg=-1.26) USER MOD Single : A 1 SER OG : rot 180:sc=0.000646 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.43) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.508 X(o=-0.51,f=-0.13) USER MOD Single : A 18 TYR OH : rot 150:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 60:sc= 0.677 USER MOD Single : A 26 SER OG : rot 180:sc= -0.484 USER MOD Single : A 30 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 97:sc= -2.21! USER MOD Single : A 99 GLN : amide:sc= -0.0589 X(o=-0.059,f=-0.39) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 109 ASN : amide:sc= -0.224 K(o=-0.22,f=-2.5!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 51:sc= 0.834 USER MOD Single : A 118 MET CE :methyl 146:sc= -3.4! (180deg=-4.7!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 43:sc= 1.01 USER MOD Single : A 132 SER OG : rot 180:sc= 0.0795 USER MOD Single : A 133 GLN : amide:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : A 137 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.021) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -177:sc= -0.858 (180deg=-0.959) USER MOD Single : A 148 GLN : amide:sc= -0.745 X(o=-0.75,f=-1.2) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.931 13.918 -4.958 1.00 0.00 N ATOM 2 CA SER A 1 -2.835 12.473 -4.623 1.00 0.00 C ATOM 3 C SER A 1 -1.423 11.944 -4.854 1.00 0.00 C ATOM 4 O SER A 1 -1.082 11.517 -5.958 1.00 0.00 O ATOM 5 CB SER A 1 -3.834 11.705 -5.490 1.00 0.00 C ATOM 6 OG SER A 1 -5.146 12.217 -5.333 1.00 0.00 O ATOM 0 H1 SER A 1 -3.926 14.217 -4.922 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.378 14.471 -4.272 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.556 14.078 -5.915 1.00 0.00 H new ATOM 0 HA SER A 1 -3.068 12.335 -3.567 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.538 11.771 -6.537 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.818 10.649 -5.220 1.00 0.00 H new ATOM 0 HG SER A 1 -5.765 11.710 -5.899 1.00 0.00 H new ATOM 14 N ILE A 2 -0.607 11.974 -3.805 1.00 0.00 N ATOM 15 CA ILE A 2 0.768 11.495 -3.894 1.00 0.00 C ATOM 16 C ILE A 2 0.840 9.991 -3.662 1.00 0.00 C ATOM 17 O ILE A 2 1.682 9.303 -4.240 1.00 0.00 O ATOM 18 CB ILE A 2 1.677 12.206 -2.871 1.00 0.00 C ATOM 19 CG1 ILE A 2 1.479 13.720 -2.945 1.00 0.00 C ATOM 20 CG2 ILE A 2 3.133 11.843 -3.117 1.00 0.00 C ATOM 21 CD1 ILE A 2 2.315 14.488 -1.945 1.00 0.00 C ATOM 0 H ILE A 2 -0.873 12.324 -2.885 1.00 0.00 H new ATOM 0 HA ILE A 2 1.119 11.722 -4.901 1.00 0.00 H new ATOM 0 HB ILE A 2 1.404 11.873 -1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.725 14.062 -3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.426 13.949 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.763 12.352 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.261 10.765 -3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.420 12.151 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.124 15.555 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.053 14.174 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.371 14.288 -2.124 1.00 0.00 H new ATOM 33 N LYS A 3 -0.047 9.485 -2.812 1.00 0.00 N ATOM 34 CA LYS A 3 -0.084 8.060 -2.502 1.00 0.00 C ATOM 35 C LYS A 3 -1.448 7.655 -1.955 1.00 0.00 C ATOM 36 O LYS A 3 -1.862 8.115 -0.891 1.00 0.00 O ATOM 37 CB LYS A 3 1.009 7.707 -1.491 1.00 0.00 C ATOM 38 CG LYS A 3 1.488 6.268 -1.589 1.00 0.00 C ATOM 39 CD LYS A 3 2.942 6.136 -1.170 1.00 0.00 C ATOM 40 CE LYS A 3 3.365 4.678 -1.076 1.00 0.00 C ATOM 41 NZ LYS A 3 3.589 4.077 -2.419 1.00 0.00 N ATOM 0 H LYS A 3 -0.750 10.041 -2.325 1.00 0.00 H new ATOM 0 HA LYS A 3 0.094 7.510 -3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.858 8.374 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.633 7.888 -0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.867 5.633 -0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.369 5.913 -2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.577 6.655 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.089 6.622 -0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.279 4.603 -0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.598 4.111 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.876 3.083 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.710 4.126 -2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.338 4.602 -2.914 1.00 0.00 H new ATOM 55 N ASN A 4 -2.142 6.791 -2.689 1.00 0.00 N ATOM 56 CA ASN A 4 -3.459 6.323 -2.275 1.00 0.00 C ATOM 57 C ASN A 4 -3.555 4.806 -2.376 1.00 0.00 C ATOM 58 O ASN A 4 -3.256 4.222 -3.418 1.00 0.00 O ATOM 59 CB ASN A 4 -4.547 6.972 -3.135 1.00 0.00 C ATOM 60 CG ASN A 4 -4.387 6.652 -4.608 1.00 0.00 C ATOM 61 OD1 ASN A 4 -4.924 5.662 -5.102 1.00 0.00 O ATOM 62 ND2 ASN A 4 -3.645 7.494 -5.319 1.00 0.00 N ATOM 0 H ASN A 4 -1.814 6.401 -3.573 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.607 6.609 -1.234 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.525 6.631 -2.796 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.520 8.053 -2.996 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.502 7.331 -6.316 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.218 8.303 -4.868 1.00 0.00 H new ATOM 69 N GLY A 5 -3.973 4.169 -1.287 1.00 0.00 N ATOM 70 CA GLY A 5 -4.099 2.724 -1.274 1.00 0.00 C ATOM 71 C GLY A 5 -4.891 2.220 -0.083 1.00 0.00 C ATOM 72 O GLY A 5 -5.708 2.948 0.481 1.00 0.00 O ATOM 0 H GLY A 5 -4.227 4.629 -0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.584 2.397 -2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.105 2.276 -1.261 1.00 0.00 H new ATOM 76 N ILE A 6 -4.649 0.970 0.299 1.00 0.00 N ATOM 77 CA ILE A 6 -5.344 0.369 1.431 1.00 0.00 C ATOM 78 C ILE A 6 -4.373 0.043 2.562 1.00 0.00 C ATOM 79 O ILE A 6 -3.665 -0.963 2.515 1.00 0.00 O ATOM 80 CB ILE A 6 -6.085 -0.917 1.014 1.00 0.00 C ATOM 81 CG1 ILE A 6 -7.005 -0.641 -0.176 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.881 -1.478 2.185 1.00 0.00 C ATOM 83 CD1 ILE A 6 -6.269 -0.524 -1.493 1.00 0.00 C ATOM 0 H ILE A 6 -3.977 0.354 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.072 1.100 1.783 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.346 -1.660 0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.741 -1.442 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.556 0.282 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.398 -2.386 1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.204 -1.711 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.612 -0.740 2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.983 -0.328 -2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.552 0.295 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.740 -1.455 -1.698 1.00 0.00 H new ATOM 95 N LEU A 7 -4.348 0.901 3.577 1.00 0.00 N ATOM 96 CA LEU A 7 -3.465 0.705 4.721 1.00 0.00 C ATOM 97 C LEU A 7 -4.205 0.016 5.864 1.00 0.00 C ATOM 98 O LEU A 7 -5.372 0.308 6.128 1.00 0.00 O ATOM 99 CB LEU A 7 -2.903 2.049 5.193 1.00 0.00 C ATOM 100 CG LEU A 7 -1.526 2.407 4.631 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.457 1.507 5.227 1.00 0.00 C ATOM 102 CD2 LEU A 7 -1.528 2.303 3.113 1.00 0.00 C ATOM 0 H LEU A 7 -4.929 1.738 3.630 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.639 0.065 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.606 2.836 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.843 2.039 6.281 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.298 3.437 4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.516 1.776 4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.440 1.630 6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.679 0.468 4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.541 2.561 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.777 1.283 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.268 2.990 2.702 1.00 0.00 H new ATOM 114 N TYR A 8 -3.521 -0.904 6.535 1.00 0.00 N ATOM 115 CA TYR A 8 -4.113 -1.639 7.647 1.00 0.00 C ATOM 116 C TYR A 8 -4.166 -0.781 8.907 1.00 0.00 C ATOM 117 O TYR A 8 -3.277 0.034 9.156 1.00 0.00 O ATOM 118 CB TYR A 8 -3.319 -2.917 7.921 1.00 0.00 C ATOM 119 CG TYR A 8 -3.659 -4.053 6.984 1.00 0.00 C ATOM 120 CD1 TYR A 8 -3.382 -3.964 5.625 1.00 0.00 C ATOM 121 CD2 TYR A 8 -4.255 -5.216 7.457 1.00 0.00 C ATOM 122 CE1 TYR A 8 -3.691 -5.002 4.764 1.00 0.00 C ATOM 123 CE2 TYR A 8 -4.567 -6.256 6.603 1.00 0.00 C ATOM 124 CZ TYR A 8 -4.283 -6.144 5.259 1.00 0.00 C ATOM 125 OH TYR A 8 -4.592 -7.178 4.404 1.00 0.00 O ATOM 0 H TYR A 8 -2.555 -1.159 6.328 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.133 -1.903 7.369 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.254 -2.697 7.841 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.503 -3.236 8.947 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.918 -3.070 5.235 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.478 -5.308 8.510 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.470 -4.918 3.710 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.031 -7.153 6.987 1.00 0.00 H new ATOM 0 HH TYR A 8 -5.003 -7.909 4.910 1.00 0.00 H new ATOM 135 N LEU A 9 -5.216 -0.972 9.700 1.00 0.00 N ATOM 136 CA LEU A 9 -5.390 -0.220 10.938 1.00 0.00 C ATOM 137 C LEU A 9 -6.317 -0.964 11.895 1.00 0.00 C ATOM 138 O LEU A 9 -7.461 -1.266 11.556 1.00 0.00 O ATOM 139 CB LEU A 9 -5.952 1.173 10.642 1.00 0.00 C ATOM 140 CG LEU A 9 -6.992 1.228 9.518 1.00 0.00 C ATOM 141 CD1 LEU A 9 -8.258 1.925 9.993 1.00 0.00 C ATOM 142 CD2 LEU A 9 -6.420 1.931 8.296 1.00 0.00 C ATOM 0 H LEU A 9 -5.960 -1.642 9.507 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.414 -0.114 11.411 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.403 1.567 11.553 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.125 1.834 10.384 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.249 0.206 9.238 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.984 1.954 9.181 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.679 1.379 10.837 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.019 2.942 10.302 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.172 1.961 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.133 2.948 8.562 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.544 1.388 7.941 1.00 0.00 H new ATOM 154 N GLU A 10 -5.815 -1.258 13.089 1.00 0.00 N ATOM 155 CA GLU A 10 -6.599 -1.971 14.092 1.00 0.00 C ATOM 156 C GLU A 10 -7.654 -1.063 14.711 1.00 0.00 C ATOM 157 O GLU A 10 -7.334 -0.033 15.305 1.00 0.00 O ATOM 158 CB GLU A 10 -5.685 -2.522 15.189 1.00 0.00 C ATOM 159 CG GLU A 10 -6.429 -3.236 16.305 1.00 0.00 C ATOM 160 CD GLU A 10 -6.018 -2.753 17.683 1.00 0.00 C ATOM 161 OE1 GLU A 10 -6.462 -1.658 18.085 1.00 0.00 O ATOM 162 OE2 GLU A 10 -5.251 -3.471 18.360 1.00 0.00 O ATOM 0 H GLU A 10 -4.870 -1.014 13.386 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.104 -2.799 13.594 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.971 -3.213 14.741 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.109 -1.701 15.616 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.501 -3.086 16.176 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.246 -4.308 16.230 1.00 0.00 H new ATOM 169 N ASP A 11 -8.914 -1.461 14.580 1.00 0.00 N ATOM 170 CA ASP A 11 -10.018 -0.692 15.138 1.00 0.00 C ATOM 171 C ASP A 11 -10.125 -0.945 16.640 1.00 0.00 C ATOM 172 O ASP A 11 -9.980 -2.077 17.092 1.00 0.00 O ATOM 173 CB ASP A 11 -11.329 -1.071 14.447 1.00 0.00 C ATOM 174 CG ASP A 11 -11.698 -0.106 13.336 1.00 0.00 C ATOM 175 OD1 ASP A 11 -11.985 1.070 13.643 1.00 0.00 O ATOM 176 OD2 ASP A 11 -11.698 -0.528 12.161 1.00 0.00 O ATOM 0 H ASP A 11 -9.196 -2.311 14.092 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.828 0.368 14.970 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.242 -2.077 14.037 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.131 -1.095 15.184 1.00 0.00 H new ATOM 181 N PRO A 12 -10.375 0.106 17.438 1.00 0.00 N ATOM 182 CA PRO A 12 -10.494 -0.029 18.894 1.00 0.00 C ATOM 183 C PRO A 12 -11.736 -0.813 19.310 1.00 0.00 C ATOM 184 O PRO A 12 -11.871 -1.206 20.470 1.00 0.00 O ATOM 185 CB PRO A 12 -10.583 1.418 19.382 1.00 0.00 C ATOM 186 CG PRO A 12 -11.107 2.183 18.216 1.00 0.00 C ATOM 187 CD PRO A 12 -10.561 1.499 16.994 1.00 0.00 C ATOM 0 HA PRO A 12 -9.657 -0.584 19.318 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.247 1.505 20.242 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.607 1.791 19.693 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.197 2.185 18.208 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.787 3.224 18.256 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.253 1.564 16.154 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.622 1.946 16.669 1.00 0.00 H new ATOM 195 N VAL A 13 -12.640 -1.040 18.362 1.00 0.00 N ATOM 196 CA VAL A 13 -13.865 -1.779 18.638 1.00 0.00 C ATOM 197 C VAL A 13 -13.594 -3.279 18.700 1.00 0.00 C ATOM 198 O VAL A 13 -14.193 -3.996 19.499 1.00 0.00 O ATOM 199 CB VAL A 13 -14.942 -1.506 17.569 1.00 0.00 C ATOM 200 CG1 VAL A 13 -16.260 -2.159 17.958 1.00 0.00 C ATOM 201 CG2 VAL A 13 -15.122 -0.009 17.360 1.00 0.00 C ATOM 0 H VAL A 13 -12.547 -0.723 17.397 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.232 -1.436 19.605 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.610 -1.944 16.627 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -17.007 -1.955 17.191 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.119 -3.236 18.050 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.599 -1.754 18.912 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.886 0.163 16.602 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.430 0.455 18.297 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.179 0.428 17.031 1.00 0.00 H new ATOM 211 N ASN A 14 -12.685 -3.742 17.850 1.00 0.00 N ATOM 212 CA ASN A 14 -12.330 -5.157 17.802 1.00 0.00 C ATOM 213 C ASN A 14 -10.902 -5.381 18.294 1.00 0.00 C ATOM 214 O ASN A 14 -10.558 -6.472 18.746 1.00 0.00 O ATOM 215 CB ASN A 14 -12.481 -5.695 16.379 1.00 0.00 C ATOM 216 CG ASN A 14 -13.928 -5.746 15.930 1.00 0.00 C ATOM 217 OD1 ASN A 14 -14.706 -6.576 16.398 1.00 0.00 O ATOM 218 ND2 ASN A 14 -14.297 -4.853 15.018 1.00 0.00 N ATOM 0 H ASN A 14 -12.179 -3.158 17.184 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.010 -5.696 18.462 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.913 -5.066 15.694 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.051 -6.695 16.324 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.259 -4.838 14.679 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.618 -4.183 14.657 1.00 0.00 H new ATOM 225 N HIS A 15 -10.073 -4.343 18.198 1.00 0.00 N ATOM 226 CA HIS A 15 -8.683 -4.427 18.629 1.00 0.00 C ATOM 227 C HIS A 15 -7.901 -5.387 17.739 1.00 0.00 C ATOM 228 O HIS A 15 -6.997 -6.083 18.201 1.00 0.00 O ATOM 229 CB HIS A 15 -8.598 -4.872 20.092 1.00 0.00 C ATOM 230 CG HIS A 15 -8.487 -3.733 21.057 1.00 0.00 C ATOM 231 ND1 HIS A 15 -8.875 -3.824 22.376 1.00 0.00 N ATOM 232 CD2 HIS A 15 -8.028 -2.469 20.889 1.00 0.00 C ATOM 233 CE1 HIS A 15 -8.660 -2.667 22.978 1.00 0.00 C ATOM 234 NE2 HIS A 15 -8.146 -1.829 22.097 1.00 0.00 N ATOM 0 H HIS A 15 -10.343 -3.433 17.824 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.240 -3.435 18.542 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.483 -5.460 20.337 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.736 -5.527 20.215 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.641 -2.044 19.974 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.869 -2.445 24.014 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.880 -0.862 22.284 1.00 0.00 H new ATOM 243 N GLU A 16 -8.255 -5.415 16.458 1.00 0.00 N ATOM 244 CA GLU A 16 -7.588 -6.288 15.497 1.00 0.00 C ATOM 245 C GLU A 16 -7.343 -5.559 14.180 1.00 0.00 C ATOM 246 O GLU A 16 -8.158 -4.741 13.752 1.00 0.00 O ATOM 247 CB GLU A 16 -8.425 -7.546 15.252 1.00 0.00 C ATOM 248 CG GLU A 16 -8.519 -8.459 16.464 1.00 0.00 C ATOM 249 CD GLU A 16 -9.179 -9.786 16.144 1.00 0.00 C ATOM 250 OE1 GLU A 16 -8.836 -10.383 15.102 1.00 0.00 O ATOM 251 OE2 GLU A 16 -10.039 -10.228 16.936 1.00 0.00 O ATOM 0 H GLU A 16 -9.000 -4.843 16.061 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.624 -6.579 15.915 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.430 -7.251 14.951 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.994 -8.103 14.420 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.518 -8.640 16.856 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.083 -7.957 17.250 1.00 0.00 H new ATOM 258 N TRP A 17 -6.217 -5.863 13.540 1.00 0.00 N ATOM 259 CA TRP A 17 -5.861 -5.236 12.271 1.00 0.00 C ATOM 260 C TRP A 17 -6.994 -5.366 11.256 1.00 0.00 C ATOM 261 O TRP A 17 -7.717 -6.361 11.241 1.00 0.00 O ATOM 262 CB TRP A 17 -4.585 -5.867 11.708 1.00 0.00 C ATOM 263 CG TRP A 17 -3.419 -5.785 12.644 1.00 0.00 C ATOM 264 CD1 TRP A 17 -2.687 -6.826 13.134 1.00 0.00 C ATOM 265 CD2 TRP A 17 -2.851 -4.596 13.203 1.00 0.00 C ATOM 266 NE1 TRP A 17 -1.697 -6.357 13.965 1.00 0.00 N ATOM 267 CE2 TRP A 17 -1.778 -4.991 14.023 1.00 0.00 C ATOM 268 CE3 TRP A 17 -3.146 -3.233 13.090 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.000 -4.074 14.724 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.374 -2.325 13.786 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.310 -2.748 14.595 1.00 0.00 C ATOM 0 H TRP A 17 -5.535 -6.541 13.880 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.687 -4.176 12.458 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -4.779 -6.913 11.472 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.326 -5.372 10.772 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -2.860 -7.867 12.903 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.014 -6.932 14.458 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.963 -2.897 12.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.180 -4.398 15.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.593 -1.271 13.706 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.724 -2.013 15.127 1.00 0.00 H new ATOM 282 N TYR A 18 -7.141 -4.352 10.407 1.00 0.00 N ATOM 283 CA TYR A 18 -8.184 -4.354 9.389 1.00 0.00 C ATOM 284 C TYR A 18 -7.744 -3.565 8.157 1.00 0.00 C ATOM 285 O TYR A 18 -7.270 -2.435 8.273 1.00 0.00 O ATOM 286 CB TYR A 18 -9.476 -3.758 9.953 1.00 0.00 C ATOM 287 CG TYR A 18 -10.271 -4.724 10.803 1.00 0.00 C ATOM 288 CD1 TYR A 18 -10.462 -6.041 10.401 1.00 0.00 C ATOM 289 CD2 TYR A 18 -10.831 -4.319 12.008 1.00 0.00 C ATOM 290 CE1 TYR A 18 -11.188 -6.924 11.176 1.00 0.00 C ATOM 291 CE2 TYR A 18 -11.559 -5.196 12.788 1.00 0.00 C ATOM 292 CZ TYR A 18 -11.734 -6.498 12.368 1.00 0.00 C ATOM 293 OH TYR A 18 -12.459 -7.375 13.143 1.00 0.00 O ATOM 0 H TYR A 18 -6.551 -3.520 10.405 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.366 -5.387 9.092 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.230 -2.880 10.550 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.099 -3.417 9.126 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -10.036 -6.379 9.468 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -10.695 -3.301 12.341 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.327 -7.944 10.850 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.989 -4.864 13.722 1.00 0.00 H new ATOM 0 HH TYR A 18 -12.369 -7.129 14.087 1.00 0.00 H new ATOM 303 N PRO A 19 -7.894 -4.150 6.954 1.00 0.00 N ATOM 304 CA PRO A 19 -7.507 -3.489 5.705 1.00 0.00 C ATOM 305 C PRO A 19 -8.505 -2.416 5.283 1.00 0.00 C ATOM 306 O PRO A 19 -9.530 -2.715 4.669 1.00 0.00 O ATOM 307 CB PRO A 19 -7.496 -4.635 4.694 1.00 0.00 C ATOM 308 CG PRO A 19 -8.507 -5.598 5.214 1.00 0.00 C ATOM 309 CD PRO A 19 -8.451 -5.496 6.715 1.00 0.00 C ATOM 0 HA PRO A 19 -6.553 -2.969 5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.757 -4.286 3.695 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.510 -5.094 4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.503 -5.354 4.844 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.284 -6.613 4.884 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.440 -5.605 7.161 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.819 -6.273 7.146 1.00 0.00 H new ATOM 317 N HIS A 20 -8.200 -1.166 5.616 1.00 0.00 N ATOM 318 CA HIS A 20 -9.072 -0.048 5.271 1.00 0.00 C ATOM 319 C HIS A 20 -8.375 0.907 4.306 1.00 0.00 C ATOM 320 O HIS A 20 -7.154 1.054 4.336 1.00 0.00 O ATOM 321 CB HIS A 20 -9.498 0.704 6.532 1.00 0.00 C ATOM 322 CG HIS A 20 -10.699 0.113 7.204 1.00 0.00 C ATOM 323 ND1 HIS A 20 -10.623 -0.654 8.347 1.00 0.00 N ATOM 324 CD2 HIS A 20 -12.014 0.181 6.887 1.00 0.00 C ATOM 325 CE1 HIS A 20 -11.837 -1.033 8.704 1.00 0.00 C ATOM 326 NE2 HIS A 20 -12.699 -0.539 7.835 1.00 0.00 N ATOM 0 H HIS A 20 -7.356 -0.901 6.124 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.959 -0.450 4.781 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.666 0.716 7.237 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.711 1.741 6.272 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -12.444 0.704 6.046 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -12.082 -1.643 9.561 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -13.710 -0.671 7.863 1.00 0.00 H new ATOM 335 N TYR A 21 -9.161 1.552 3.450 1.00 0.00 N ATOM 336 CA TYR A 21 -8.619 2.493 2.475 1.00 0.00 C ATOM 337 C TYR A 21 -8.007 3.705 3.169 1.00 0.00 C ATOM 338 O TYR A 21 -8.254 3.947 4.352 1.00 0.00 O ATOM 339 CB TYR A 21 -9.714 2.943 1.507 1.00 0.00 C ATOM 340 CG TYR A 21 -9.881 2.029 0.314 1.00 0.00 C ATOM 341 CD1 TYR A 21 -10.586 0.837 0.422 1.00 0.00 C ATOM 342 CD2 TYR A 21 -9.335 2.359 -0.919 1.00 0.00 C ATOM 343 CE1 TYR A 21 -10.742 -0.001 -0.665 1.00 0.00 C ATOM 344 CE2 TYR A 21 -9.486 1.526 -2.013 1.00 0.00 C ATOM 345 CZ TYR A 21 -10.191 0.348 -1.880 1.00 0.00 C ATOM 346 OH TYR A 21 -10.343 -0.483 -2.965 1.00 0.00 O ATOM 0 H TYR A 21 -10.174 1.441 3.411 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.834 1.985 1.914 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.661 3.002 2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.485 3.949 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.019 0.561 1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.783 3.281 -1.026 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -11.293 -0.925 -0.564 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.055 1.796 -2.965 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.896 -0.090 -3.743 1.00 0.00 H new ATOM 356 N PHE A 22 -7.209 4.465 2.427 1.00 0.00 N ATOM 357 CA PHE A 22 -6.559 5.654 2.969 1.00 0.00 C ATOM 358 C PHE A 22 -5.758 6.371 1.886 1.00 0.00 C ATOM 359 O PHE A 22 -4.837 5.802 1.301 1.00 0.00 O ATOM 360 CB PHE A 22 -5.646 5.272 4.136 1.00 0.00 C ATOM 361 CG PHE A 22 -5.848 6.122 5.358 1.00 0.00 C ATOM 362 CD1 PHE A 22 -5.629 7.489 5.314 1.00 0.00 C ATOM 363 CD2 PHE A 22 -6.256 5.552 6.554 1.00 0.00 C ATOM 364 CE1 PHE A 22 -5.814 8.272 6.437 1.00 0.00 C ATOM 365 CE2 PHE A 22 -6.443 6.329 7.682 1.00 0.00 C ATOM 366 CZ PHE A 22 -6.220 7.692 7.623 1.00 0.00 C ATOM 0 H PHE A 22 -6.996 4.279 1.447 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.331 6.333 3.332 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.820 4.228 4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.607 5.352 3.815 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.310 7.948 4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.430 4.487 6.605 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.641 9.337 6.388 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.763 5.872 8.607 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.363 8.302 8.503 1.00 0.00 H new ATOM 376 N VAL A 23 -6.115 7.625 1.624 1.00 0.00 N ATOM 377 CA VAL A 23 -5.430 8.417 0.608 1.00 0.00 C ATOM 378 C VAL A 23 -4.503 9.447 1.247 1.00 0.00 C ATOM 379 O VAL A 23 -4.830 10.037 2.277 1.00 0.00 O ATOM 380 CB VAL A 23 -6.430 9.144 -0.310 1.00 0.00 C ATOM 381 CG1 VAL A 23 -5.715 9.761 -1.503 1.00 0.00 C ATOM 382 CG2 VAL A 23 -7.523 8.189 -0.768 1.00 0.00 C ATOM 0 H VAL A 23 -6.873 8.114 2.100 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.841 7.721 0.010 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.896 9.950 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.440 10.270 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.974 10.479 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.218 8.977 -2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.221 8.719 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.076 7.361 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.056 7.803 0.101 1.00 0.00 H new ATOM 392 N LEU A 24 -3.347 9.660 0.628 1.00 0.00 N ATOM 393 CA LEU A 24 -2.373 10.618 1.134 1.00 0.00 C ATOM 394 C LEU A 24 -2.121 11.728 0.116 1.00 0.00 C ATOM 395 O LEU A 24 -1.411 11.529 -0.870 1.00 0.00 O ATOM 396 CB LEU A 24 -1.057 9.910 1.470 1.00 0.00 C ATOM 397 CG LEU A 24 0.090 10.832 1.887 1.00 0.00 C ATOM 398 CD1 LEU A 24 -0.126 11.347 3.302 1.00 0.00 C ATOM 399 CD2 LEU A 24 1.422 10.105 1.779 1.00 0.00 C ATOM 0 H LEU A 24 -3.062 9.181 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.779 11.066 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.241 9.198 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.741 9.333 0.601 1.00 0.00 H new ATOM 0 HG LEU A 24 0.109 11.687 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.700 12.001 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.062 11.904 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.171 10.505 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.228 10.775 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.414 9.232 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.580 9.786 0.749 1.00 0.00 H new ATOM 411 N THR A 25 -2.707 12.895 0.363 1.00 0.00 N ATOM 412 CA THR A 25 -2.542 14.036 -0.530 1.00 0.00 C ATOM 413 C THR A 25 -1.533 15.029 0.038 1.00 0.00 C ATOM 414 O THR A 25 -1.353 15.122 1.253 1.00 0.00 O ATOM 415 CB THR A 25 -3.885 14.729 -0.764 1.00 0.00 C ATOM 416 OG1 THR A 25 -4.784 14.464 0.298 1.00 0.00 O ATOM 417 CG2 THR A 25 -4.561 14.302 -2.050 1.00 0.00 C ATOM 0 H THR A 25 -3.300 13.075 1.173 1.00 0.00 H new ATOM 0 HA THR A 25 -2.164 13.667 -1.483 1.00 0.00 H new ATOM 0 HB THR A 25 -3.651 15.792 -0.826 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.405 14.796 1.138 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.509 14.830 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.916 14.540 -2.896 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.745 13.228 -2.025 1.00 0.00 H new ATOM 425 N SER A 26 -0.875 15.764 -0.851 1.00 0.00 N ATOM 426 CA SER A 26 0.123 16.750 -0.448 1.00 0.00 C ATOM 427 C SER A 26 -0.476 17.816 0.469 1.00 0.00 C ATOM 428 O SER A 26 0.252 18.547 1.140 1.00 0.00 O ATOM 429 CB SER A 26 0.738 17.414 -1.680 1.00 0.00 C ATOM 430 OG SER A 26 2.106 17.719 -1.466 1.00 0.00 O ATOM 0 H SER A 26 -1.015 15.696 -1.859 1.00 0.00 H new ATOM 0 HA SER A 26 0.899 16.224 0.108 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.640 16.752 -2.541 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.191 18.327 -1.916 1.00 0.00 H new ATOM 0 HG SER A 26 2.476 18.141 -2.269 1.00 0.00 H new ATOM 436 N SER A 27 -1.802 17.914 0.491 1.00 0.00 N ATOM 437 CA SER A 27 -2.475 18.901 1.325 1.00 0.00 C ATOM 438 C SER A 27 -2.993 18.280 2.620 1.00 0.00 C ATOM 439 O SER A 27 -3.200 18.980 3.611 1.00 0.00 O ATOM 440 CB SER A 27 -3.631 19.545 0.558 1.00 0.00 C ATOM 441 OG SER A 27 -4.394 18.568 -0.131 1.00 0.00 O ATOM 0 H SER A 27 -2.428 17.324 -0.057 1.00 0.00 H new ATOM 0 HA SER A 27 -1.744 19.667 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.272 20.090 1.251 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.239 20.273 -0.153 1.00 0.00 H new ATOM 0 HG SER A 27 -5.128 19.005 -0.612 1.00 0.00 H new ATOM 447 N LYS A 28 -3.208 16.967 2.607 1.00 0.00 N ATOM 448 CA LYS A 28 -3.709 16.266 3.787 1.00 0.00 C ATOM 449 C LYS A 28 -3.905 14.780 3.497 1.00 0.00 C ATOM 450 O LYS A 28 -3.560 14.296 2.421 1.00 0.00 O ATOM 451 CB LYS A 28 -5.030 16.886 4.248 1.00 0.00 C ATOM 452 CG LYS A 28 -6.014 17.134 3.115 1.00 0.00 C ATOM 453 CD LYS A 28 -6.448 18.590 3.058 1.00 0.00 C ATOM 454 CE LYS A 28 -7.209 18.894 1.778 1.00 0.00 C ATOM 455 NZ LYS A 28 -6.934 20.271 1.282 1.00 0.00 N ATOM 0 H LYS A 28 -3.044 16.369 1.797 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.969 16.367 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.494 16.228 4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.823 17.830 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.556 16.853 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.889 16.498 3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.076 18.818 3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.572 19.235 3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.933 18.170 1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.278 18.779 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.825 20.718 0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.499 20.833 2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.286 20.225 0.470 1.00 0.00 H new ATOM 469 N ILE A 29 -4.462 14.061 4.469 1.00 0.00 N ATOM 470 CA ILE A 29 -4.708 12.631 4.321 1.00 0.00 C ATOM 471 C ILE A 29 -6.195 12.321 4.450 1.00 0.00 C ATOM 472 O ILE A 29 -6.823 12.663 5.452 1.00 0.00 O ATOM 473 CB ILE A 29 -3.934 11.808 5.370 1.00 0.00 C ATOM 474 CG1 ILE A 29 -2.531 12.386 5.576 1.00 0.00 C ATOM 475 CG2 ILE A 29 -3.854 10.349 4.945 1.00 0.00 C ATOM 476 CD1 ILE A 29 -1.696 11.610 6.572 1.00 0.00 C ATOM 0 H ILE A 29 -4.751 14.447 5.368 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.358 12.352 3.327 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.470 11.863 6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.012 12.407 4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.619 13.418 5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.305 9.781 5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.861 9.943 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.339 10.277 3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.716 12.077 6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.193 11.610 7.542 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.577 10.583 6.225 1.00 0.00 H new ATOM 488 N TYR A 30 -6.755 11.676 3.433 1.00 0.00 N ATOM 489 CA TYR A 30 -8.172 11.327 3.438 1.00 0.00 C ATOM 490 C TYR A 30 -8.382 9.901 3.935 1.00 0.00 C ATOM 491 O TYR A 30 -7.459 9.085 3.927 1.00 0.00 O ATOM 492 CB TYR A 30 -8.763 11.483 2.036 1.00 0.00 C ATOM 493 CG TYR A 30 -8.550 12.855 1.438 1.00 0.00 C ATOM 494 CD1 TYR A 30 -9.049 13.990 2.062 1.00 0.00 C ATOM 495 CD2 TYR A 30 -7.851 13.015 0.248 1.00 0.00 C ATOM 496 CE1 TYR A 30 -8.858 15.247 1.519 1.00 0.00 C ATOM 497 CE2 TYR A 30 -7.655 14.266 -0.302 1.00 0.00 C ATOM 498 CZ TYR A 30 -8.159 15.379 0.337 1.00 0.00 C ATOM 499 OH TYR A 30 -7.966 16.628 -0.208 1.00 0.00 O ATOM 0 H TYR A 30 -6.251 11.384 2.596 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.684 12.008 4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.318 10.736 1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.832 11.276 2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.596 13.889 2.988 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.454 12.146 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.253 16.120 2.017 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.110 14.372 -1.228 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.454 16.546 -1.040 1.00 0.00 H new ATOM 509 N TYR A 31 -9.605 9.606 4.364 1.00 0.00 N ATOM 510 CA TYR A 31 -9.940 8.278 4.864 1.00 0.00 C ATOM 511 C TYR A 31 -11.419 7.972 4.639 1.00 0.00 C ATOM 512 O TYR A 31 -12.291 8.714 5.088 1.00 0.00 O ATOM 513 CB TYR A 31 -9.606 8.170 6.353 1.00 0.00 C ATOM 514 CG TYR A 31 -9.877 6.802 6.937 1.00 0.00 C ATOM 515 CD1 TYR A 31 -9.248 5.672 6.431 1.00 0.00 C ATOM 516 CD2 TYR A 31 -10.763 6.642 7.996 1.00 0.00 C ATOM 517 CE1 TYR A 31 -9.494 4.421 6.963 1.00 0.00 C ATOM 518 CE2 TYR A 31 -11.013 5.393 8.534 1.00 0.00 C ATOM 519 CZ TYR A 31 -10.376 4.287 8.013 1.00 0.00 C ATOM 520 OH TYR A 31 -10.623 3.042 8.545 1.00 0.00 O ATOM 0 H TYR A 31 -10.380 10.269 4.375 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.346 7.548 4.313 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.554 8.416 6.500 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.187 8.912 6.902 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.555 5.773 5.608 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.264 7.507 8.405 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.997 3.552 6.558 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.703 5.285 9.358 1.00 0.00 H new ATOM 0 HH TYR A 31 -11.268 3.122 9.279 1.00 0.00 H new ATOM 530 N SER A 32 -11.691 6.876 3.939 1.00 0.00 N ATOM 531 CA SER A 32 -13.063 6.472 3.654 1.00 0.00 C ATOM 532 C SER A 32 -13.135 4.983 3.332 1.00 0.00 C ATOM 533 O SER A 32 -12.198 4.413 2.774 1.00 0.00 O ATOM 534 CB SER A 32 -13.622 7.286 2.484 1.00 0.00 C ATOM 535 OG SER A 32 -15.038 7.249 2.469 1.00 0.00 O ATOM 0 H SER A 32 -10.980 6.252 3.559 1.00 0.00 H new ATOM 0 HA SER A 32 -13.665 6.663 4.542 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.283 8.319 2.560 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.235 6.892 1.544 1.00 0.00 H new ATOM 0 HG SER A 32 -15.371 7.777 1.714 1.00 0.00 H new ATOM 1396 N GLY A 91 -12.924 11.053 6.695 1.00 0.00 N ATOM 1397 CA GLY A 91 -12.039 11.751 7.609 1.00 0.00 C ATOM 1398 C GLY A 91 -10.824 12.331 6.913 1.00 0.00 C ATOM 1399 O GLY A 91 -10.227 11.685 6.052 1.00 0.00 O ATOM 0 HA2 GLY A 91 -12.589 12.553 8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.713 11.064 8.389 1.00 0.00 H new ATOM 1403 N VAL A 92 -10.457 13.552 7.287 1.00 0.00 N ATOM 1404 CA VAL A 92 -9.306 14.220 6.694 1.00 0.00 C ATOM 1405 C VAL A 92 -8.348 14.723 7.770 1.00 0.00 C ATOM 1406 O VAL A 92 -8.773 15.294 8.774 1.00 0.00 O ATOM 1407 CB VAL A 92 -9.737 15.406 5.811 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -8.547 15.963 5.046 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -10.844 14.986 4.857 1.00 0.00 C ATOM 0 H VAL A 92 -10.941 14.099 7.999 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.797 13.482 6.074 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.125 16.194 6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.871 16.800 4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.789 16.305 5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.126 15.184 4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.136 15.837 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.486 14.180 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.705 14.640 5.429 1.00 0.00 H new ATOM 1419 N LEU A 93 -7.055 14.508 7.553 1.00 0.00 N ATOM 1420 CA LEU A 93 -6.037 14.940 8.505 1.00 0.00 C ATOM 1421 C LEU A 93 -4.919 15.702 7.802 1.00 0.00 C ATOM 1422 O LEU A 93 -4.259 15.172 6.907 1.00 0.00 O ATOM 1423 CB LEU A 93 -5.459 13.732 9.246 1.00 0.00 C ATOM 1424 CG LEU A 93 -5.131 13.973 10.721 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -4.502 12.732 11.337 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -4.205 15.171 10.871 1.00 0.00 C ATOM 0 H LEU A 93 -6.687 14.037 6.726 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.509 15.609 9.224 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.170 12.909 9.178 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.551 13.412 8.735 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.060 14.187 11.250 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.275 12.922 12.386 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.197 11.896 11.261 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.582 12.488 10.805 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.982 15.328 11.926 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.278 14.985 10.328 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.691 16.059 10.466 1.00 0.00 H new ATOM 1438 N ASP A 94 -4.711 16.949 8.212 1.00 0.00 N ATOM 1439 CA ASP A 94 -3.672 17.786 7.623 1.00 0.00 C ATOM 1440 C ASP A 94 -2.302 17.132 7.762 1.00 0.00 C ATOM 1441 O ASP A 94 -2.042 16.408 8.723 1.00 0.00 O ATOM 1442 CB ASP A 94 -3.661 19.165 8.288 1.00 0.00 C ATOM 1443 CG ASP A 94 -3.426 20.286 7.294 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -4.017 20.237 6.194 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -2.652 21.211 7.616 1.00 0.00 O ATOM 0 H ASP A 94 -5.249 17.403 8.951 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.893 17.903 6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.611 19.327 8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.883 19.191 9.051 1.00 0.00 H new ATOM 1450 N VAL A 95 -1.429 17.388 6.793 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.086 16.821 6.804 1.00 0.00 C ATOM 1452 C VAL A 95 0.843 17.577 7.757 1.00 0.00 C ATOM 1453 O VAL A 95 1.547 16.962 8.556 1.00 0.00 O ATOM 1454 CB VAL A 95 0.537 16.814 5.396 1.00 0.00 C ATOM 1455 CG1 VAL A 95 1.829 16.009 5.387 1.00 0.00 C ATOM 1456 CG2 VAL A 95 -0.451 16.261 4.378 1.00 0.00 C ATOM 0 H VAL A 95 -1.628 17.985 5.990 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.192 15.794 7.154 1.00 0.00 H new ATOM 0 HB VAL A 95 0.774 17.841 5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.255 16.015 4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.539 16.452 6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.620 14.982 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.006 16.264 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.721 15.241 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.346 16.882 4.365 1.00 0.00 H new ATOM 1466 N PRO A 96 0.866 18.923 7.688 1.00 0.00 N ATOM 1467 CA PRO A 96 1.723 19.735 8.555 1.00 0.00 C ATOM 1468 C PRO A 96 1.164 19.870 9.967 1.00 0.00 C ATOM 1469 O PRO A 96 0.921 20.978 10.447 1.00 0.00 O ATOM 1470 CB PRO A 96 1.743 21.090 7.852 1.00 0.00 C ATOM 1471 CG PRO A 96 0.429 21.170 7.155 1.00 0.00 C ATOM 1472 CD PRO A 96 0.067 19.760 6.767 1.00 0.00 C ATOM 0 HA PRO A 96 2.710 19.292 8.688 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.864 21.905 8.565 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.571 21.159 7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -0.331 21.601 7.807 1.00 0.00 H new ATOM 0 HG3 PRO A 96 0.494 21.810 6.275 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.001 19.575 6.883 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.314 19.556 5.725 1.00 0.00 H new ATOM 1480 N ALA A 97 0.963 18.734 10.629 1.00 0.00 N ATOM 1481 CA ALA A 97 0.433 18.721 11.988 1.00 0.00 C ATOM 1482 C ALA A 97 0.311 17.293 12.511 1.00 0.00 C ATOM 1483 O ALA A 97 -0.651 16.956 13.202 1.00 0.00 O ATOM 1484 CB ALA A 97 -0.917 19.420 12.039 1.00 0.00 C ATOM 0 H ALA A 97 1.160 17.810 10.245 1.00 0.00 H new ATOM 0 HA ALA A 97 1.130 19.261 12.629 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.298 19.401 13.060 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.804 20.454 11.713 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.618 18.906 11.381 1.00 0.00 H new ATOM 1490 N CYS A 98 1.291 16.458 12.177 1.00 0.00 N ATOM 1491 CA CYS A 98 1.288 15.067 12.613 1.00 0.00 C ATOM 1492 C CYS A 98 2.686 14.622 13.032 1.00 0.00 C ATOM 1493 O CYS A 98 3.646 15.389 12.948 1.00 0.00 O ATOM 1494 CB CYS A 98 0.767 14.162 11.496 1.00 0.00 C ATOM 1495 SG CYS A 98 -1.011 14.298 11.203 1.00 0.00 S ATOM 0 H CYS A 98 2.095 16.721 11.607 1.00 0.00 H new ATOM 0 HA CYS A 98 0.628 14.986 13.476 1.00 0.00 H new ATOM 0 HB2 CYS A 98 1.296 14.401 10.573 1.00 0.00 H new ATOM 0 HB3 CYS A 98 1.006 13.127 11.741 1.00 0.00 H new ATOM 0 HG CYS A 98 -1.227 15.122 10.221 1.00 0.00 H new ATOM 1501 N GLN A 99 2.789 13.377 13.485 1.00 0.00 N ATOM 1502 CA GLN A 99 4.066 12.821 13.919 1.00 0.00 C ATOM 1503 C GLN A 99 4.030 11.298 13.886 1.00 0.00 C ATOM 1504 O GLN A 99 3.455 10.662 14.770 1.00 0.00 O ATOM 1505 CB GLN A 99 4.404 13.307 15.329 1.00 0.00 C ATOM 1506 CG GLN A 99 5.896 13.470 15.574 1.00 0.00 C ATOM 1507 CD GLN A 99 6.481 12.333 16.389 1.00 0.00 C ATOM 1508 OE1 GLN A 99 5.922 11.935 17.410 1.00 0.00 O ATOM 1509 NE2 GLN A 99 7.614 11.806 15.939 1.00 0.00 N ATOM 0 H GLN A 99 2.002 12.733 13.561 1.00 0.00 H new ATOM 0 HA GLN A 99 4.839 13.164 13.231 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.909 14.262 15.504 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.000 12.601 16.055 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.413 13.529 14.616 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.075 14.412 16.092 1.00 0.00 H new ATOM 0 HE21 GLN A 99 8.042 12.168 15.087 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.056 11.039 16.445 1.00 0.00 H new ATOM 1518 N ILE A 100 4.639 10.718 12.859 1.00 0.00 N ATOM 1519 CA ILE A 100 4.672 9.268 12.705 1.00 0.00 C ATOM 1520 C ILE A 100 5.686 8.633 13.650 1.00 0.00 C ATOM 1521 O ILE A 100 6.589 9.303 14.151 1.00 0.00 O ATOM 1522 CB ILE A 100 5.011 8.859 11.258 1.00 0.00 C ATOM 1523 CG1 ILE A 100 4.303 9.777 10.256 1.00 0.00 C ATOM 1524 CG2 ILE A 100 4.629 7.406 11.014 1.00 0.00 C ATOM 1525 CD1 ILE A 100 2.803 9.844 10.450 1.00 0.00 C ATOM 0 H ILE A 100 5.118 11.231 12.119 1.00 0.00 H new ATOM 0 HA ILE A 100 3.674 8.906 12.952 1.00 0.00 H new ATOM 0 HB ILE A 100 6.086 8.963 11.114 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.717 10.782 10.341 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.515 9.429 9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.875 7.133 9.988 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.180 6.765 11.702 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.559 7.279 11.177 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.369 10.512 9.706 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.376 8.847 10.336 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.582 10.221 11.449 1.00 0.00 H new ATOM 1537 N ALA A 101 5.530 7.334 13.887 1.00 0.00 N ATOM 1538 CA ALA A 101 6.429 6.599 14.766 1.00 0.00 C ATOM 1539 C ALA A 101 6.481 5.126 14.378 1.00 0.00 C ATOM 1540 O ALA A 101 5.699 4.314 14.872 1.00 0.00 O ATOM 1541 CB ALA A 101 5.994 6.752 16.217 1.00 0.00 C ATOM 0 H ALA A 101 4.786 6.768 13.480 1.00 0.00 H new ATOM 0 HA ALA A 101 7.430 7.015 14.657 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.676 6.197 16.862 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.011 7.806 16.493 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.983 6.362 16.337 1.00 0.00 H new ATOM 1547 N ILE A 102 7.402 4.787 13.481 1.00 0.00 N ATOM 1548 CA ILE A 102 7.549 3.413 13.019 1.00 0.00 C ATOM 1549 C ILE A 102 7.933 2.477 14.159 1.00 0.00 C ATOM 1550 O ILE A 102 8.671 2.854 15.071 1.00 0.00 O ATOM 1551 CB ILE A 102 8.608 3.301 11.901 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.223 4.185 10.714 1.00 0.00 C ATOM 1553 CG2 ILE A 102 8.770 1.851 11.459 1.00 0.00 C ATOM 1554 CD1 ILE A 102 9.262 4.208 9.616 1.00 0.00 C ATOM 0 H ILE A 102 8.057 5.446 13.060 1.00 0.00 H new ATOM 0 HA ILE A 102 6.578 3.116 12.623 1.00 0.00 H new ATOM 0 HB ILE A 102 9.564 3.647 12.294 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.278 3.833 10.301 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.057 5.203 11.068 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.520 1.793 10.671 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.087 1.245 12.308 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.818 1.477 11.082 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.922 4.855 8.807 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.203 4.588 10.013 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.411 3.198 9.235 1.00 0.00 H new ATOM 1566 N ARG A 103 7.434 1.250 14.085 1.00 0.00 N ATOM 1567 CA ARG A 103 7.723 0.238 15.091 1.00 0.00 C ATOM 1568 C ARG A 103 8.066 -1.086 14.412 1.00 0.00 C ATOM 1569 O ARG A 103 7.301 -1.578 13.583 1.00 0.00 O ATOM 1570 CB ARG A 103 6.525 0.053 16.024 1.00 0.00 C ATOM 1571 CG ARG A 103 6.050 1.344 16.669 1.00 0.00 C ATOM 1572 CD ARG A 103 4.552 1.323 16.925 1.00 0.00 C ATOM 1573 NE ARG A 103 4.236 1.407 18.349 1.00 0.00 N ATOM 1574 CZ ARG A 103 4.310 0.375 19.185 1.00 0.00 C ATOM 1575 NH1 ARG A 103 4.693 -0.818 18.749 1.00 0.00 N ATOM 1576 NH2 ARG A 103 3.999 0.537 20.465 1.00 0.00 N ATOM 0 H ARG A 103 6.823 0.931 13.333 1.00 0.00 H new ATOM 0 HA ARG A 103 8.576 0.568 15.684 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.701 -0.386 15.461 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.791 -0.658 16.807 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.578 1.497 17.610 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.298 2.187 16.023 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.083 2.156 16.401 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.127 0.407 16.513 1.00 0.00 H new ATOM 0 HE ARG A 103 3.942 2.309 18.724 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.933 -0.949 17.766 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.747 -1.604 19.396 1.00 0.00 H new ATOM 0 HH21 ARG A 103 3.704 1.452 20.806 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.055 -0.253 21.107 1.00 0.00 H new ATOM 1590 N PRO A 104 9.228 -1.680 14.738 1.00 0.00 N ATOM 1591 CA PRO A 104 9.659 -2.941 14.138 1.00 0.00 C ATOM 1592 C PRO A 104 9.040 -4.169 14.806 1.00 0.00 C ATOM 1593 O PRO A 104 9.611 -5.258 14.765 1.00 0.00 O ATOM 1594 CB PRO A 104 11.167 -2.917 14.362 1.00 0.00 C ATOM 1595 CG PRO A 104 11.342 -2.172 15.642 1.00 0.00 C ATOM 1596 CD PRO A 104 10.219 -1.165 15.706 1.00 0.00 C ATOM 0 HA PRO A 104 9.355 -3.020 13.094 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.574 -3.926 14.431 1.00 0.00 H new ATOM 0 HB3 PRO A 104 11.683 -2.421 13.540 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.304 -2.850 16.494 1.00 0.00 H new ATOM 0 HG3 PRO A 104 12.312 -1.675 15.673 1.00 0.00 H new ATOM 0 HD2 PRO A 104 9.800 -1.097 16.710 1.00 0.00 H new ATOM 0 HD3 PRO A 104 10.561 -0.166 15.435 1.00 0.00 H new ATOM 1604 N GLU A 105 7.872 -3.991 15.421 1.00 0.00 N ATOM 1605 CA GLU A 105 7.187 -5.091 16.091 1.00 0.00 C ATOM 1606 C GLU A 105 5.854 -4.631 16.675 1.00 0.00 C ATOM 1607 O GLU A 105 5.723 -4.463 17.888 1.00 0.00 O ATOM 1608 CB GLU A 105 8.070 -5.670 17.199 1.00 0.00 C ATOM 1609 CG GLU A 105 7.827 -7.147 17.460 1.00 0.00 C ATOM 1610 CD GLU A 105 7.639 -7.456 18.933 1.00 0.00 C ATOM 1611 OE1 GLU A 105 7.144 -6.573 19.666 1.00 0.00 O ATOM 1612 OE2 GLU A 105 7.987 -8.580 19.354 1.00 0.00 O ATOM 0 H GLU A 105 7.383 -3.097 15.468 1.00 0.00 H new ATOM 0 HA GLU A 105 6.989 -5.866 15.350 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.117 -5.524 16.932 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.895 -5.113 18.120 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.943 -7.469 16.909 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.669 -7.723 17.076 1.00 0.00 H new ATOM 1619 N GLY A 106 4.867 -4.428 15.806 1.00 0.00 N ATOM 1620 CA GLY A 106 3.560 -3.991 16.260 1.00 0.00 C ATOM 1621 C GLY A 106 2.930 -4.961 17.241 1.00 0.00 C ATOM 1622 O GLY A 106 3.218 -4.920 18.436 1.00 0.00 O ATOM 0 H GLY A 106 4.950 -4.558 14.798 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.651 -3.012 16.730 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.902 -3.871 15.400 1.00 0.00 H new ATOM 1626 N LYS A 107 2.068 -5.836 16.733 1.00 0.00 N ATOM 1627 CA LYS A 107 1.394 -6.822 17.571 1.00 0.00 C ATOM 1628 C LYS A 107 0.506 -7.736 16.731 1.00 0.00 C ATOM 1629 O LYS A 107 0.334 -7.519 15.532 1.00 0.00 O ATOM 1630 CB LYS A 107 0.556 -6.126 18.645 1.00 0.00 C ATOM 1631 CG LYS A 107 -0.607 -5.321 18.084 1.00 0.00 C ATOM 1632 CD LYS A 107 -0.406 -3.827 18.289 1.00 0.00 C ATOM 1633 CE LYS A 107 -1.703 -3.139 18.679 1.00 0.00 C ATOM 1634 NZ LYS A 107 -1.548 -1.660 18.753 1.00 0.00 N ATOM 0 H LYS A 107 1.820 -5.883 15.745 1.00 0.00 H new ATOM 0 HA LYS A 107 2.158 -7.431 18.055 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.169 -6.876 19.334 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.200 -5.464 19.224 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.716 -5.531 17.020 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.533 -5.634 18.567 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.342 -3.663 19.065 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.018 -3.382 17.373 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.478 -3.387 17.953 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.038 -3.517 19.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.455 -1.229 19.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.827 -1.422 19.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.253 -1.295 17.825 1.00 0.00 H new ATOM 1648 N ASN A 108 -0.058 -8.756 17.373 1.00 0.00 N ATOM 1649 CA ASN A 108 -0.932 -9.707 16.690 1.00 0.00 C ATOM 1650 C ASN A 108 -0.149 -10.559 15.701 1.00 0.00 C ATOM 1651 O ASN A 108 0.021 -11.764 15.898 1.00 0.00 O ATOM 1652 CB ASN A 108 -2.064 -8.972 15.968 1.00 0.00 C ATOM 1653 CG ASN A 108 -3.308 -9.827 15.822 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -3.232 -11.056 15.810 1.00 0.00 O ATOM 1655 ND2 ASN A 108 -4.462 -9.180 15.711 1.00 0.00 N ATOM 0 H ASN A 108 0.075 -8.946 18.366 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.362 -10.366 17.444 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.313 -8.064 16.518 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.721 -8.663 14.981 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -5.332 -9.703 15.611 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -4.478 -8.160 15.726 1.00 0.00 H new ATOM 1662 N ASN A 109 0.328 -9.927 14.637 1.00 0.00 N ATOM 1663 CA ASN A 109 1.094 -10.623 13.611 1.00 0.00 C ATOM 1664 C ASN A 109 1.614 -9.645 12.563 1.00 0.00 C ATOM 1665 O ASN A 109 1.670 -9.965 11.375 1.00 0.00 O ATOM 1666 CB ASN A 109 0.232 -11.697 12.942 1.00 0.00 C ATOM 1667 CG ASN A 109 1.039 -12.913 12.533 1.00 0.00 C ATOM 1668 OD1 ASN A 109 2.222 -13.025 12.856 1.00 0.00 O ATOM 1669 ND2 ASN A 109 0.403 -13.832 11.817 1.00 0.00 N ATOM 0 H ASN A 109 0.198 -8.931 14.461 1.00 0.00 H new ATOM 0 HA ASN A 109 1.948 -11.100 14.091 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -0.559 -12.003 13.627 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.253 -11.274 12.063 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.895 -14.672 11.512 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.578 -13.699 11.572 1.00 0.00 H new ATOM 1676 N ARG A 110 1.995 -8.453 13.010 1.00 0.00 N ATOM 1677 CA ARG A 110 2.511 -7.429 12.109 1.00 0.00 C ATOM 1678 C ARG A 110 3.826 -6.859 12.633 1.00 0.00 C ATOM 1679 O ARG A 110 3.838 -5.867 13.362 1.00 0.00 O ATOM 1680 CB ARG A 110 1.487 -6.305 11.940 1.00 0.00 C ATOM 1681 CG ARG A 110 0.324 -6.675 11.033 1.00 0.00 C ATOM 1682 CD ARG A 110 0.805 -7.104 9.658 1.00 0.00 C ATOM 1683 NE ARG A 110 -0.281 -7.125 8.679 1.00 0.00 N ATOM 1684 CZ ARG A 110 -0.222 -7.781 7.522 1.00 0.00 C ATOM 1685 NH1 ARG A 110 0.865 -8.468 7.195 1.00 0.00 N ATOM 1686 NH2 ARG A 110 -1.255 -7.750 6.691 1.00 0.00 N ATOM 0 H ARG A 110 1.956 -8.172 13.990 1.00 0.00 H new ATOM 0 HA ARG A 110 2.695 -7.892 11.139 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.099 -6.027 12.920 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.988 -5.426 11.535 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.250 -7.483 11.487 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.348 -5.822 10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.586 -6.423 9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.253 -8.096 9.724 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.133 -6.607 8.895 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.662 -8.496 7.832 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.904 -8.969 6.307 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.093 -7.224 6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.211 -8.252 5.804 1.00 0.00 H new ATOM 1700 N LEU A 111 4.931 -7.495 12.256 1.00 0.00 N ATOM 1701 CA LEU A 111 6.253 -7.052 12.689 1.00 0.00 C ATOM 1702 C LEU A 111 6.519 -5.621 12.239 1.00 0.00 C ATOM 1703 O LEU A 111 7.133 -4.835 12.962 1.00 0.00 O ATOM 1704 CB LEU A 111 7.333 -7.983 12.133 1.00 0.00 C ATOM 1705 CG LEU A 111 7.292 -9.414 12.669 1.00 0.00 C ATOM 1706 CD1 LEU A 111 8.227 -10.310 11.870 1.00 0.00 C ATOM 1707 CD2 LEU A 111 7.659 -9.442 14.144 1.00 0.00 C ATOM 0 H LEU A 111 4.938 -8.317 11.653 1.00 0.00 H new ATOM 0 HA LEU A 111 6.282 -7.083 13.778 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.240 -8.015 11.047 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.310 -7.555 12.357 1.00 0.00 H new ATOM 0 HG LEU A 111 6.276 -9.793 12.560 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.185 -11.325 12.266 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.920 -10.315 10.824 1.00 0.00 H new ATOM 0 HD13 LEU A 111 9.247 -9.933 11.947 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.624 -10.469 14.508 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.665 -9.044 14.276 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.951 -8.833 14.707 1.00 0.00 H new ATOM 1719 N PHE A 112 6.055 -5.289 11.040 1.00 0.00 N ATOM 1720 CA PHE A 112 6.241 -3.950 10.490 1.00 0.00 C ATOM 1721 C PHE A 112 4.986 -3.106 10.681 1.00 0.00 C ATOM 1722 O PHE A 112 3.914 -3.446 10.179 1.00 0.00 O ATOM 1723 CB PHE A 112 6.596 -4.032 9.005 1.00 0.00 C ATOM 1724 CG PHE A 112 7.983 -4.546 8.748 1.00 0.00 C ATOM 1725 CD1 PHE A 112 8.219 -5.904 8.605 1.00 0.00 C ATOM 1726 CD2 PHE A 112 9.052 -3.670 8.648 1.00 0.00 C ATOM 1727 CE1 PHE A 112 9.494 -6.378 8.369 1.00 0.00 C ATOM 1728 CE2 PHE A 112 10.330 -4.138 8.412 1.00 0.00 C ATOM 1729 CZ PHE A 112 10.552 -5.494 8.272 1.00 0.00 C ATOM 0 H PHE A 112 5.547 -5.928 10.429 1.00 0.00 H new ATOM 0 HA PHE A 112 7.062 -3.473 11.026 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.878 -4.681 8.503 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.496 -3.042 8.560 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.396 -6.600 8.679 1.00 0.00 H new ATOM 0 HD2 PHE A 112 8.884 -2.609 8.756 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.665 -7.439 8.260 1.00 0.00 H new ATOM 0 HE2 PHE A 112 11.155 -3.445 8.337 1.00 0.00 H new ATOM 0 HZ PHE A 112 11.550 -5.863 8.087 1.00 0.00 H new ATOM 1739 N VAL A 113 5.126 -2.003 11.410 1.00 0.00 N ATOM 1740 CA VAL A 113 4.002 -1.110 11.666 1.00 0.00 C ATOM 1741 C VAL A 113 4.482 0.309 11.958 1.00 0.00 C ATOM 1742 O VAL A 113 5.650 0.524 12.283 1.00 0.00 O ATOM 1743 CB VAL A 113 3.143 -1.615 12.847 1.00 0.00 C ATOM 1744 CG1 VAL A 113 3.860 -1.408 14.173 1.00 0.00 C ATOM 1745 CG2 VAL A 113 1.787 -0.929 12.850 1.00 0.00 C ATOM 0 H VAL A 113 6.006 -1.707 11.833 1.00 0.00 H new ATOM 0 HA VAL A 113 3.390 -1.099 10.764 1.00 0.00 H new ATOM 0 HB VAL A 113 2.985 -2.686 12.719 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.233 -1.772 14.987 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.802 -1.957 14.167 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.060 -0.346 14.317 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.195 -1.297 13.688 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.924 0.148 12.947 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.268 -1.146 11.917 1.00 0.00 H new ATOM 1755 N PHE A 114 3.575 1.272 11.845 1.00 0.00 N ATOM 1756 CA PHE A 114 3.908 2.668 12.104 1.00 0.00 C ATOM 1757 C PHE A 114 2.704 3.421 12.659 1.00 0.00 C ATOM 1758 O PHE A 114 1.699 3.599 11.970 1.00 0.00 O ATOM 1759 CB PHE A 114 4.407 3.344 10.823 1.00 0.00 C ATOM 1760 CG PHE A 114 3.363 3.455 9.749 1.00 0.00 C ATOM 1761 CD1 PHE A 114 2.904 2.324 9.091 1.00 0.00 C ATOM 1762 CD2 PHE A 114 2.843 4.690 9.394 1.00 0.00 C ATOM 1763 CE1 PHE A 114 1.945 2.424 8.101 1.00 0.00 C ATOM 1764 CE2 PHE A 114 1.886 4.795 8.405 1.00 0.00 C ATOM 1765 CZ PHE A 114 1.436 3.661 7.757 1.00 0.00 C ATOM 0 H PHE A 114 2.604 1.112 11.576 1.00 0.00 H new ATOM 0 HA PHE A 114 4.703 2.693 12.850 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.770 4.342 11.068 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.256 2.782 10.434 1.00 0.00 H new ATOM 0 HD1 PHE A 114 3.300 1.355 9.355 1.00 0.00 H new ATOM 0 HD2 PHE A 114 3.191 5.580 9.897 1.00 0.00 H new ATOM 0 HE1 PHE A 114 1.594 1.536 7.597 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.489 5.763 8.138 1.00 0.00 H new ATOM 0 HZ PHE A 114 0.687 3.742 6.983 1.00 0.00 H new ATOM 1775 N SER A 115 2.814 3.860 13.908 1.00 0.00 N ATOM 1776 CA SER A 115 1.734 4.593 14.558 1.00 0.00 C ATOM 1777 C SER A 115 1.910 6.097 14.377 1.00 0.00 C ATOM 1778 O SER A 115 3.023 6.616 14.453 1.00 0.00 O ATOM 1779 CB SER A 115 1.683 4.249 16.048 1.00 0.00 C ATOM 1780 OG SER A 115 1.071 2.989 16.261 1.00 0.00 O ATOM 0 H SER A 115 3.640 3.721 14.490 1.00 0.00 H new ATOM 0 HA SER A 115 0.795 4.298 14.091 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.693 4.239 16.457 1.00 0.00 H new ATOM 0 HB3 SER A 115 1.130 5.020 16.584 1.00 0.00 H new ATOM 0 HG SER A 115 1.053 2.792 17.221 1.00 0.00 H new ATOM 1786 N ILE A 116 0.802 6.791 14.138 1.00 0.00 N ATOM 1787 CA ILE A 116 0.832 8.236 13.948 1.00 0.00 C ATOM 1788 C ILE A 116 0.301 8.960 15.181 1.00 0.00 C ATOM 1789 O ILE A 116 -0.448 8.388 15.975 1.00 0.00 O ATOM 1790 CB ILE A 116 0.002 8.664 12.722 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.261 7.723 11.543 1.00 0.00 C ATOM 1792 CG2 ILE A 116 0.323 10.100 12.340 1.00 0.00 C ATOM 1793 CD1 ILE A 116 -0.632 7.990 10.351 1.00 0.00 C ATOM 0 H ILE A 116 -0.127 6.376 14.071 1.00 0.00 H new ATOM 0 HA ILE A 116 1.874 8.510 13.784 1.00 0.00 H new ATOM 0 HB ILE A 116 -1.055 8.604 12.982 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.302 7.817 11.235 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.117 6.694 11.871 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.271 10.387 11.473 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.088 10.760 13.175 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.382 10.184 12.098 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -0.394 7.287 9.553 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.675 7.868 10.643 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.471 9.008 9.997 1.00 0.00 H new ATOM 1805 N SER A 117 0.690 10.221 15.334 1.00 0.00 N ATOM 1806 CA SER A 117 0.251 11.024 16.470 1.00 0.00 C ATOM 1807 C SER A 117 0.456 12.509 16.194 1.00 0.00 C ATOM 1808 O SER A 117 1.480 12.913 15.644 1.00 0.00 O ATOM 1809 CB SER A 117 1.012 10.616 17.734 1.00 0.00 C ATOM 1810 OG SER A 117 0.331 11.047 18.901 1.00 0.00 O ATOM 0 H SER A 117 1.308 10.709 14.686 1.00 0.00 H new ATOM 0 HA SER A 117 -0.813 10.845 16.623 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.130 9.533 17.757 1.00 0.00 H new ATOM 0 HB3 SER A 117 2.014 11.046 17.714 1.00 0.00 H new ATOM 0 HG SER A 117 -0.605 10.760 18.859 1.00 0.00 H new ATOM 1816 N MET A 118 -0.525 13.319 16.579 1.00 0.00 N ATOM 1817 CA MET A 118 -0.452 14.760 16.370 1.00 0.00 C ATOM 1818 C MET A 118 -0.088 15.485 17.665 1.00 0.00 C ATOM 1819 O MET A 118 -0.955 15.758 18.495 1.00 0.00 O ATOM 1820 CB MET A 118 -1.787 15.288 15.838 1.00 0.00 C ATOM 1821 CG MET A 118 -2.250 14.598 14.565 1.00 0.00 C ATOM 1822 SD MET A 118 -4.047 14.575 14.402 1.00 0.00 S ATOM 1823 CE MET A 118 -4.363 16.265 13.901 1.00 0.00 C ATOM 0 H MET A 118 -1.379 13.002 17.037 1.00 0.00 H new ATOM 0 HA MET A 118 0.329 14.953 15.635 1.00 0.00 H new ATOM 0 HB2 MET A 118 -2.550 15.164 16.607 1.00 0.00 H new ATOM 0 HB3 MET A 118 -1.696 16.358 15.649 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.817 15.106 13.703 1.00 0.00 H new ATOM 0 HG3 MET A 118 -1.875 13.575 14.554 1.00 0.00 H new ATOM 0 HE1 MET A 118 -5.210 16.289 13.216 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.590 16.869 14.780 1.00 0.00 H new ATOM 0 HE3 MET A 118 -3.481 16.668 13.402 1.00 0.00 H new ATOM 1833 N PRO A 119 1.203 15.810 17.857 1.00 0.00 N ATOM 1834 CA PRO A 119 1.669 16.509 19.059 1.00 0.00 C ATOM 1835 C PRO A 119 1.286 17.986 19.057 1.00 0.00 C ATOM 1836 O PRO A 119 2.149 18.862 19.115 1.00 0.00 O ATOM 1837 CB PRO A 119 3.188 16.349 18.988 1.00 0.00 C ATOM 1838 CG PRO A 119 3.484 16.239 17.532 1.00 0.00 C ATOM 1839 CD PRO A 119 2.308 15.526 16.920 1.00 0.00 C ATOM 0 HA PRO A 119 1.224 16.104 19.968 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.698 17.203 19.433 1.00 0.00 H new ATOM 0 HB3 PRO A 119 3.519 15.462 19.528 1.00 0.00 H new ATOM 0 HG2 PRO A 119 3.618 17.225 17.086 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.407 15.685 17.363 1.00 0.00 H new ATOM 0 HD2 PRO A 119 2.090 15.898 15.919 1.00 0.00 H new ATOM 0 HD3 PRO A 119 2.491 14.455 16.829 1.00 0.00 H new ATOM 1847 N SER A 120 -0.014 18.255 18.985 1.00 0.00 N ATOM 1848 CA SER A 120 -0.514 19.625 18.971 1.00 0.00 C ATOM 1849 C SER A 120 -2.038 19.645 18.937 1.00 0.00 C ATOM 1850 O SER A 120 -2.644 20.486 18.274 1.00 0.00 O ATOM 1851 CB SER A 120 0.044 20.383 17.765 1.00 0.00 C ATOM 1852 OG SER A 120 -0.393 19.800 16.549 1.00 0.00 O ATOM 0 H SER A 120 -0.741 17.541 18.935 1.00 0.00 H new ATOM 0 HA SER A 120 -0.181 20.117 19.885 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.274 21.425 17.807 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.133 20.381 17.802 1.00 0.00 H new ATOM 0 HG SER A 120 -0.024 20.304 15.794 1.00 0.00 H new ATOM 1858 N VAL A 121 -2.652 18.710 19.656 1.00 0.00 N ATOM 1859 CA VAL A 121 -4.105 18.614 19.709 1.00 0.00 C ATOM 1860 C VAL A 121 -4.549 17.799 20.922 1.00 0.00 C ATOM 1861 O VAL A 121 -4.904 18.357 21.961 1.00 0.00 O ATOM 1862 CB VAL A 121 -4.679 17.996 18.405 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -3.749 16.928 17.844 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -6.079 17.435 18.628 1.00 0.00 C ATOM 0 H VAL A 121 -2.164 18.007 20.211 1.00 0.00 H new ATOM 0 HA VAL A 121 -4.499 19.626 19.805 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.753 18.796 17.669 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.178 16.514 16.932 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.779 17.372 17.620 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -3.623 16.133 18.579 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.453 17.010 17.697 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -6.042 16.659 19.393 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -6.744 18.235 18.954 1.00 0.00 H new ATOM 1874 N ALA A 122 -4.527 16.478 20.785 1.00 0.00 N ATOM 1875 CA ALA A 122 -4.927 15.589 21.868 1.00 0.00 C ATOM 1876 C ALA A 122 -4.015 14.367 21.935 1.00 0.00 C ATOM 1877 O ALA A 122 -2.973 14.321 21.281 1.00 0.00 O ATOM 1878 CB ALA A 122 -6.376 15.160 21.693 1.00 0.00 C ATOM 0 H ALA A 122 -4.236 15.999 19.933 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.834 16.134 22.807 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -6.660 14.496 22.510 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -7.019 16.040 21.700 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -6.488 14.636 20.744 1.00 0.00 H new ATOM 1884 N GLN A 123 -4.415 13.379 22.728 1.00 0.00 N ATOM 1885 CA GLN A 123 -3.633 12.157 22.880 1.00 0.00 C ATOM 1886 C GLN A 123 -4.110 11.084 21.904 1.00 0.00 C ATOM 1887 O GLN A 123 -4.321 9.932 22.286 1.00 0.00 O ATOM 1888 CB GLN A 123 -3.728 11.639 24.316 1.00 0.00 C ATOM 1889 CG GLN A 123 -5.133 11.236 24.728 1.00 0.00 C ATOM 1890 CD GLN A 123 -5.143 10.215 25.849 1.00 0.00 C ATOM 1891 OE1 GLN A 123 -5.000 10.563 27.022 1.00 0.00 O ATOM 1892 NE2 GLN A 123 -5.310 8.947 25.493 1.00 0.00 N ATOM 0 H GLN A 123 -5.276 13.400 23.275 1.00 0.00 H new ATOM 0 HA GLN A 123 -2.592 12.390 22.657 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -3.066 10.780 24.428 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -3.367 12.411 24.996 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -5.683 12.122 25.044 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -5.657 10.827 23.864 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -5.425 8.704 24.509 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -5.324 8.215 26.204 1.00 0.00 H new ATOM 1901 N TRP A 124 -4.279 11.470 20.646 1.00 0.00 N ATOM 1902 CA TRP A 124 -4.732 10.543 19.614 1.00 0.00 C ATOM 1903 C TRP A 124 -3.555 9.770 19.023 1.00 0.00 C ATOM 1904 O TRP A 124 -2.439 10.282 18.946 1.00 0.00 O ATOM 1905 CB TRP A 124 -5.468 11.299 18.507 1.00 0.00 C ATOM 1906 CG TRP A 124 -6.746 11.933 18.966 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -7.109 13.241 18.824 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -7.831 11.285 19.643 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -8.352 13.447 19.370 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -8.816 12.262 19.879 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -8.064 9.975 20.071 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 -10.016 11.970 20.524 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 -9.254 9.686 20.710 1.00 0.00 C ATOM 1914 CH2 TRP A 124 -10.217 10.679 20.931 1.00 0.00 C ATOM 0 H TRP A 124 -4.109 12.419 20.314 1.00 0.00 H new ATOM 0 HA TRP A 124 -5.417 9.831 20.075 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -4.811 12.071 18.107 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -5.686 10.611 17.690 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -6.507 14.003 18.351 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -8.849 14.337 19.393 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -7.327 9.203 19.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -10.760 12.734 20.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -9.445 8.677 21.045 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -11.137 10.420 21.433 1.00 0.00 H new ATOM 1925 N SER A 125 -3.816 8.535 18.607 1.00 0.00 N ATOM 1926 CA SER A 125 -2.780 7.690 18.023 1.00 0.00 C ATOM 1927 C SER A 125 -3.355 6.819 16.911 1.00 0.00 C ATOM 1928 O SER A 125 -4.034 5.826 17.175 1.00 0.00 O ATOM 1929 CB SER A 125 -2.142 6.809 19.099 1.00 0.00 C ATOM 1930 OG SER A 125 -3.092 5.921 19.662 1.00 0.00 O ATOM 0 H SER A 125 -4.735 8.097 18.663 1.00 0.00 H new ATOM 0 HA SER A 125 -2.015 8.338 17.596 1.00 0.00 H new ATOM 0 HB2 SER A 125 -1.319 6.240 18.666 1.00 0.00 H new ATOM 0 HB3 SER A 125 -1.718 7.437 19.883 1.00 0.00 H new ATOM 0 HG SER A 125 -3.651 5.545 18.950 1.00 0.00 H new ATOM 1936 N LEU A 126 -3.082 7.199 15.667 1.00 0.00 N ATOM 1937 CA LEU A 126 -3.575 6.453 14.514 1.00 0.00 C ATOM 1938 C LEU A 126 -2.587 5.366 14.101 1.00 0.00 C ATOM 1939 O LEU A 126 -1.589 5.640 13.435 1.00 0.00 O ATOM 1940 CB LEU A 126 -3.829 7.402 13.340 1.00 0.00 C ATOM 1941 CG LEU A 126 -4.974 6.990 12.410 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -6.070 8.044 12.409 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -4.459 6.753 10.998 1.00 0.00 C ATOM 0 H LEU A 126 -2.522 8.019 15.431 1.00 0.00 H new ATOM 0 HA LEU A 126 -4.512 5.974 14.797 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -4.041 8.395 13.735 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -2.914 7.482 12.752 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.397 6.057 12.782 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.874 7.732 11.742 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.462 8.162 13.419 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.661 8.994 12.065 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.288 6.461 10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.007 7.669 10.617 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.713 5.959 11.011 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.875 4.131 14.499 1.00 0.00 N ATOM 1956 CA ASP A 127 -2.014 3.001 14.167 1.00 0.00 C ATOM 1957 C ASP A 127 -2.225 2.564 12.721 1.00 0.00 C ATOM 1958 O ASP A 127 -3.345 2.257 12.313 1.00 0.00 O ATOM 1959 CB ASP A 127 -2.287 1.829 15.111 1.00 0.00 C ATOM 1960 CG ASP A 127 -3.761 1.480 15.192 1.00 0.00 C ATOM 1961 OD1 ASP A 127 -4.292 0.917 14.213 1.00 0.00 O ATOM 1962 OD2 ASP A 127 -4.383 1.771 16.235 1.00 0.00 O ATOM 0 H ASP A 127 -3.697 3.887 15.051 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.978 3.319 14.285 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -1.728 0.956 14.773 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -1.920 2.076 16.107 1.00 0.00 H new ATOM 1967 N VAL A 128 -1.143 2.540 11.950 1.00 0.00 N ATOM 1968 CA VAL A 128 -1.212 2.141 10.551 1.00 0.00 C ATOM 1969 C VAL A 128 -0.051 1.224 10.184 1.00 0.00 C ATOM 1970 O VAL A 128 1.016 1.284 10.792 1.00 0.00 O ATOM 1971 CB VAL A 128 -1.198 3.366 9.616 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -1.523 2.952 8.188 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -2.174 4.425 10.108 1.00 0.00 C ATOM 0 H VAL A 128 -0.208 2.792 12.271 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.152 1.604 10.421 1.00 0.00 H new ATOM 0 HB VAL A 128 -0.197 3.796 9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.508 3.830 7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.781 2.233 7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.512 2.496 8.158 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.150 5.282 9.435 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.181 4.009 10.130 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.890 4.743 11.111 1.00 0.00 H new ATOM 1983 N ALA A 129 -0.269 0.370 9.188 1.00 0.00 N ATOM 1984 CA ALA A 129 0.760 -0.562 8.743 1.00 0.00 C ATOM 1985 C ALA A 129 0.511 -1.016 7.309 1.00 0.00 C ATOM 1986 O ALA A 129 -0.577 -1.487 6.977 1.00 0.00 O ATOM 1987 CB ALA A 129 0.820 -1.762 9.676 1.00 0.00 C ATOM 0 H ALA A 129 -1.148 0.305 8.675 1.00 0.00 H new ATOM 0 HA ALA A 129 1.719 -0.045 8.768 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.592 -2.451 9.333 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.055 -1.426 10.686 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.144 -2.270 9.678 1.00 0.00 H new ATOM 1993 N ALA A 130 1.526 -0.873 6.463 1.00 0.00 N ATOM 1994 CA ALA A 130 1.420 -1.271 5.065 1.00 0.00 C ATOM 1995 C ALA A 130 1.917 -2.700 4.866 1.00 0.00 C ATOM 1996 O ALA A 130 2.941 -3.092 5.427 1.00 0.00 O ATOM 1997 CB ALA A 130 2.202 -0.308 4.183 1.00 0.00 C ATOM 0 H ALA A 130 2.432 -0.484 6.722 1.00 0.00 H new ATOM 0 HA ALA A 130 0.369 -1.236 4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.115 -0.616 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.800 0.699 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.252 -0.316 4.477 1.00 0.00 H new ATOM 2003 N ASP A 131 1.186 -3.474 4.068 1.00 0.00 N ATOM 2004 CA ASP A 131 1.555 -4.860 3.799 1.00 0.00 C ATOM 2005 C ASP A 131 3.000 -4.961 3.323 1.00 0.00 C ATOM 2006 O ASP A 131 3.709 -5.914 3.648 1.00 0.00 O ATOM 2007 CB ASP A 131 0.619 -5.465 2.750 1.00 0.00 C ATOM 2008 CG ASP A 131 0.739 -6.974 2.667 1.00 0.00 C ATOM 2009 OD1 ASP A 131 0.952 -7.611 3.719 1.00 0.00 O ATOM 2010 OD2 ASP A 131 0.621 -7.517 1.548 1.00 0.00 O ATOM 0 H ASP A 131 0.336 -3.165 3.597 1.00 0.00 H new ATOM 0 HA ASP A 131 1.460 -5.419 4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.410 -5.198 2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.842 -5.032 1.775 1.00 0.00 H new ATOM 2015 N SER A 132 3.431 -3.967 2.555 1.00 0.00 N ATOM 2016 CA SER A 132 4.792 -3.933 2.034 1.00 0.00 C ATOM 2017 C SER A 132 5.684 -3.066 2.912 1.00 0.00 C ATOM 2018 O SER A 132 5.484 -1.856 3.013 1.00 0.00 O ATOM 2019 CB SER A 132 4.795 -3.406 0.597 1.00 0.00 C ATOM 2020 OG SER A 132 6.082 -2.941 0.224 1.00 0.00 O ATOM 0 H SER A 132 2.855 -3.172 2.279 1.00 0.00 H new ATOM 0 HA SER A 132 5.187 -4.949 2.039 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.480 -4.197 -0.084 1.00 0.00 H new ATOM 0 HB3 SER A 132 4.071 -2.596 0.502 1.00 0.00 H new ATOM 0 HG SER A 132 6.056 -2.611 -0.699 1.00 0.00 H new ATOM 2026 N GLN A 133 6.675 -3.694 3.539 1.00 0.00 N ATOM 2027 CA GLN A 133 7.608 -2.979 4.403 1.00 0.00 C ATOM 2028 C GLN A 133 8.131 -1.728 3.707 1.00 0.00 C ATOM 2029 O GLN A 133 8.491 -0.745 4.356 1.00 0.00 O ATOM 2030 CB GLN A 133 8.776 -3.887 4.792 1.00 0.00 C ATOM 2031 CG GLN A 133 9.616 -4.337 3.608 1.00 0.00 C ATOM 2032 CD GLN A 133 9.486 -5.822 3.329 1.00 0.00 C ATOM 2033 OE1 GLN A 133 9.033 -6.227 2.258 1.00 0.00 O ATOM 2034 NE2 GLN A 133 9.882 -6.642 4.294 1.00 0.00 N ATOM 0 H GLN A 133 6.852 -4.696 3.465 1.00 0.00 H new ATOM 0 HA GLN A 133 7.077 -2.680 5.307 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.415 -3.360 5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 133 8.387 -4.766 5.306 1.00 0.00 H new ATOM 0 HG2 GLN A 133 9.317 -3.777 2.722 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.662 -4.097 3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 133 10.251 -6.263 5.166 1.00 0.00 H new ATOM 0 HE22 GLN A 133 9.817 -7.652 4.164 1.00 0.00 H new ATOM 2043 N GLU A 134 8.160 -1.772 2.379 1.00 0.00 N ATOM 2044 CA GLU A 134 8.629 -0.641 1.590 1.00 0.00 C ATOM 2045 C GLU A 134 7.577 0.458 1.559 1.00 0.00 C ATOM 2046 O GLU A 134 7.884 1.635 1.755 1.00 0.00 O ATOM 2047 CB GLU A 134 8.971 -1.088 0.166 1.00 0.00 C ATOM 2048 CG GLU A 134 10.443 -0.943 -0.181 1.00 0.00 C ATOM 2049 CD GLU A 134 10.693 0.110 -1.243 1.00 0.00 C ATOM 2050 OE1 GLU A 134 9.884 1.056 -1.343 1.00 0.00 O ATOM 2051 OE2 GLU A 134 11.696 -0.012 -1.977 1.00 0.00 O ATOM 0 H GLU A 134 7.864 -2.578 1.828 1.00 0.00 H new ATOM 0 HA GLU A 134 9.531 -0.246 2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 134 8.678 -2.130 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 134 8.381 -0.504 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 134 11.001 -0.685 0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.826 -1.902 -0.529 1.00 0.00 H new ATOM 2058 N GLU A 135 6.332 0.064 1.327 1.00 0.00 N ATOM 2059 CA GLU A 135 5.229 1.014 1.287 1.00 0.00 C ATOM 2060 C GLU A 135 5.047 1.666 2.651 1.00 0.00 C ATOM 2061 O GLU A 135 4.657 2.830 2.749 1.00 0.00 O ATOM 2062 CB GLU A 135 3.936 0.317 0.861 1.00 0.00 C ATOM 2063 CG GLU A 135 3.663 0.399 -0.633 1.00 0.00 C ATOM 2064 CD GLU A 135 2.582 -0.563 -1.082 1.00 0.00 C ATOM 2065 OE1 GLU A 135 2.885 -1.764 -1.245 1.00 0.00 O ATOM 2066 OE2 GLU A 135 1.431 -0.115 -1.273 1.00 0.00 O ATOM 0 H GLU A 135 6.061 -0.906 1.164 1.00 0.00 H new ATOM 0 HA GLU A 135 5.465 1.786 0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 135 3.984 -0.731 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.099 0.762 1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 135 3.368 1.417 -0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.582 0.187 -1.179 1.00 0.00 H new ATOM 2073 N LEU A 136 5.343 0.908 3.702 1.00 0.00 N ATOM 2074 CA LEU A 136 5.224 1.408 5.064 1.00 0.00 C ATOM 2075 C LEU A 136 6.256 2.497 5.326 1.00 0.00 C ATOM 2076 O LEU A 136 5.921 3.592 5.778 1.00 0.00 O ATOM 2077 CB LEU A 136 5.401 0.267 6.069 1.00 0.00 C ATOM 2078 CG LEU A 136 5.413 0.692 7.539 1.00 0.00 C ATOM 2079 CD1 LEU A 136 4.859 -0.415 8.420 1.00 0.00 C ATOM 2080 CD2 LEU A 136 6.824 1.065 7.972 1.00 0.00 C ATOM 0 H LEU A 136 5.668 -0.057 3.635 1.00 0.00 H new ATOM 0 HA LEU A 136 4.228 1.834 5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.597 -0.454 5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.336 -0.249 5.848 1.00 0.00 H new ATOM 0 HG LEU A 136 4.775 1.569 7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.876 -0.094 9.461 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.833 -0.636 8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.470 -1.310 8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.816 1.365 9.020 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.482 0.206 7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.186 1.892 7.361 1.00 0.00 H new ATOM 2092 N GLN A 137 7.511 2.190 5.029 1.00 0.00 N ATOM 2093 CA GLN A 137 8.593 3.145 5.224 1.00 0.00 C ATOM 2094 C GLN A 137 8.451 4.313 4.255 1.00 0.00 C ATOM 2095 O GLN A 137 8.751 5.458 4.595 1.00 0.00 O ATOM 2096 CB GLN A 137 9.950 2.465 5.030 1.00 0.00 C ATOM 2097 CG GLN A 137 10.463 1.767 6.280 1.00 0.00 C ATOM 2098 CD GLN A 137 10.822 0.315 6.034 1.00 0.00 C ATOM 2099 OE1 GLN A 137 11.634 0.002 5.163 1.00 0.00 O ATOM 2100 NE2 GLN A 137 10.214 -0.582 6.802 1.00 0.00 N ATOM 0 H GLN A 137 7.805 1.289 4.653 1.00 0.00 H new ATOM 0 HA GLN A 137 8.535 3.525 6.244 1.00 0.00 H new ATOM 0 HB2 GLN A 137 9.870 1.736 4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.680 3.211 4.715 1.00 0.00 H new ATOM 0 HG2 GLN A 137 11.340 2.296 6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 137 9.703 1.822 7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.548 -0.278 7.512 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.413 -1.575 6.682 1.00 0.00 H new ATOM 2109 N ASP A 138 7.977 4.012 3.051 1.00 0.00 N ATOM 2110 CA ASP A 138 7.780 5.036 2.034 1.00 0.00 C ATOM 2111 C ASP A 138 6.609 5.936 2.406 1.00 0.00 C ATOM 2112 O ASP A 138 6.591 7.121 2.068 1.00 0.00 O ATOM 2113 CB ASP A 138 7.532 4.390 0.669 1.00 0.00 C ATOM 2114 CG ASP A 138 7.404 5.413 -0.442 1.00 0.00 C ATOM 2115 OD1 ASP A 138 7.946 6.528 -0.287 1.00 0.00 O ATOM 2116 OD2 ASP A 138 6.764 5.099 -1.468 1.00 0.00 O ATOM 0 H ASP A 138 7.723 3.069 2.757 1.00 0.00 H new ATOM 0 HA ASP A 138 8.684 5.643 1.977 1.00 0.00 H new ATOM 0 HB2 ASP A 138 8.351 3.709 0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.622 3.791 0.714 1.00 0.00 H new ATOM 2121 N TRP A 139 5.633 5.369 3.108 1.00 0.00 N ATOM 2122 CA TRP A 139 4.463 6.124 3.529 1.00 0.00 C ATOM 2123 C TRP A 139 4.840 7.156 4.583 1.00 0.00 C ATOM 2124 O TRP A 139 4.428 8.313 4.512 1.00 0.00 O ATOM 2125 CB TRP A 139 3.382 5.189 4.077 1.00 0.00 C ATOM 2126 CG TRP A 139 2.236 5.008 3.134 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.292 4.481 1.880 1.00 0.00 C ATOM 2128 CD2 TRP A 139 0.868 5.364 3.362 1.00 0.00 C ATOM 2129 NE1 TRP A 139 1.042 4.478 1.311 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.150 5.015 2.201 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.178 5.939 4.433 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -1.221 5.226 2.083 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -1.184 6.147 4.314 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.871 5.791 3.146 1.00 0.00 C ATOM 0 H TRP A 139 5.631 4.390 3.396 1.00 0.00 H new ATOM 0 HA TRP A 139 4.066 6.643 2.656 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.825 4.217 4.293 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.010 5.586 5.021 1.00 0.00 H new ATOM 0 HD1 TRP A 139 3.190 4.118 1.402 1.00 0.00 H new ATOM 0 HE1 TRP A 139 0.815 4.133 0.379 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.699 6.216 5.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.753 4.953 1.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.727 6.591 5.135 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.935 5.966 3.084 1.00 0.00 H new ATOM 2145 N VAL A 140 5.631 6.727 5.558 1.00 0.00 N ATOM 2146 CA VAL A 140 6.071 7.614 6.628 1.00 0.00 C ATOM 2147 C VAL A 140 6.931 8.745 6.077 1.00 0.00 C ATOM 2148 O VAL A 140 6.788 9.901 6.477 1.00 0.00 O ATOM 2149 CB VAL A 140 6.868 6.851 7.705 1.00 0.00 C ATOM 2150 CG1 VAL A 140 7.236 7.776 8.857 1.00 0.00 C ATOM 2151 CG2 VAL A 140 6.075 5.654 8.210 1.00 0.00 C ATOM 0 H VAL A 140 5.981 5.772 5.630 1.00 0.00 H new ATOM 0 HA VAL A 140 5.173 8.030 7.085 1.00 0.00 H new ATOM 0 HB VAL A 140 7.790 6.485 7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.798 7.218 9.606 1.00 0.00 H new ATOM 0 HG12 VAL A 140 7.847 8.598 8.483 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.327 8.175 9.308 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.654 5.128 8.969 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.135 5.997 8.643 1.00 0.00 H new ATOM 0 HG23 VAL A 140 5.867 4.979 7.380 1.00 0.00 H new ATOM 2161 N LYS A 141 7.820 8.404 5.153 1.00 0.00 N ATOM 2162 CA LYS A 141 8.701 9.391 4.543 1.00 0.00 C ATOM 2163 C LYS A 141 7.899 10.418 3.754 1.00 0.00 C ATOM 2164 O LYS A 141 8.248 11.597 3.719 1.00 0.00 O ATOM 2165 CB LYS A 141 9.722 8.706 3.633 1.00 0.00 C ATOM 2166 CG LYS A 141 11.090 8.539 4.272 1.00 0.00 C ATOM 2167 CD LYS A 141 11.987 7.633 3.444 1.00 0.00 C ATOM 2168 CE LYS A 141 13.031 6.944 4.307 1.00 0.00 C ATOM 2169 NZ LYS A 141 14.205 7.822 4.566 1.00 0.00 N ATOM 0 H LYS A 141 7.950 7.452 4.810 1.00 0.00 H new ATOM 0 HA LYS A 141 9.234 9.909 5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.341 7.725 3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.827 9.287 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 141 11.562 9.515 4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.976 8.123 5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 141 11.380 6.883 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 141 12.482 8.219 2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 141 12.581 6.650 5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 141 13.363 6.030 3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 14.894 7.315 5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 14.650 8.082 3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.893 8.683 5.059 1.00 0.00 H new ATOM 2183 N LYS A 142 6.820 9.965 3.125 1.00 0.00 N ATOM 2184 CA LYS A 142 5.968 10.851 2.344 1.00 0.00 C ATOM 2185 C LYS A 142 5.262 11.848 3.248 1.00 0.00 C ATOM 2186 O LYS A 142 5.306 13.055 3.008 1.00 0.00 O ATOM 2187 CB LYS A 142 4.946 10.047 1.540 1.00 0.00 C ATOM 2188 CG LYS A 142 4.614 10.661 0.190 1.00 0.00 C ATOM 2189 CD LYS A 142 5.695 10.364 -0.841 1.00 0.00 C ATOM 2190 CE LYS A 142 5.166 9.501 -1.974 1.00 0.00 C ATOM 2191 NZ LYS A 142 5.547 8.071 -1.809 1.00 0.00 N ATOM 0 H LYS A 142 6.516 8.991 3.141 1.00 0.00 H new ATOM 0 HA LYS A 142 6.599 11.402 1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 142 5.329 9.038 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 142 4.030 9.954 2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 142 3.658 10.273 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 142 4.500 11.740 0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 142 6.080 11.300 -1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 142 6.531 9.858 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 142 4.080 9.584 -2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 142 5.552 9.872 -2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 5.211 7.525 -2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 6.582 7.993 -1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 5.115 7.695 -0.941 1.00 0.00 H new ATOM 2205 N ILE A 143 4.628 11.348 4.305 1.00 0.00 N ATOM 2206 CA ILE A 143 3.940 12.217 5.249 1.00 0.00 C ATOM 2207 C ILE A 143 4.905 13.277 5.760 1.00 0.00 C ATOM 2208 O ILE A 143 4.530 14.428 5.988 1.00 0.00 O ATOM 2209 CB ILE A 143 3.368 11.425 6.445 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.428 10.323 5.950 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.638 12.356 7.405 1.00 0.00 C ATOM 2212 CD1 ILE A 143 2.048 9.328 7.024 1.00 0.00 C ATOM 0 H ILE A 143 4.577 10.354 4.527 1.00 0.00 H new ATOM 0 HA ILE A 143 3.106 12.685 4.726 1.00 0.00 H new ATOM 0 HB ILE A 143 4.196 10.962 6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.522 10.780 5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 143 2.905 9.792 5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.242 11.779 8.241 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.331 13.109 7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 143 1.817 12.847 6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.381 8.576 6.603 1.00 0.00 H new ATOM 0 HD12 ILE A 143 2.947 8.843 7.405 1.00 0.00 H new ATOM 0 HD13 ILE A 143 1.542 9.847 7.838 1.00 0.00 H new ATOM 2224 N ARG A 144 6.163 12.873 5.920 1.00 0.00 N ATOM 2225 CA ARG A 144 7.203 13.776 6.384 1.00 0.00 C ATOM 2226 C ARG A 144 7.668 14.682 5.248 1.00 0.00 C ATOM 2227 O ARG A 144 8.104 15.811 5.482 1.00 0.00 O ATOM 2228 CB ARG A 144 8.386 12.982 6.940 1.00 0.00 C ATOM 2229 CG ARG A 144 8.092 12.301 8.267 1.00 0.00 C ATOM 2230 CD ARG A 144 9.160 11.279 8.620 1.00 0.00 C ATOM 2231 NE ARG A 144 10.459 11.905 8.854 1.00 0.00 N ATOM 2232 CZ ARG A 144 11.456 11.319 9.516 1.00 0.00 C ATOM 2233 NH1 ARG A 144 11.307 10.094 10.006 1.00 0.00 N ATOM 2234 NH2 ARG A 144 12.604 11.960 9.685 1.00 0.00 N ATOM 0 H ARG A 144 6.483 11.923 5.733 1.00 0.00 H new ATOM 0 HA ARG A 144 6.791 14.397 7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.681 12.227 6.211 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.236 13.653 7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 144 8.030 13.051 9.056 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.120 11.810 8.217 1.00 0.00 H new ATOM 0 HD2 ARG A 144 8.856 10.730 9.511 1.00 0.00 H new ATOM 0 HD3 ARG A 144 9.248 10.552 7.812 1.00 0.00 H new ATOM 0 HE ARG A 144 10.612 12.845 8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 144 10.426 9.597 9.877 1.00 0.00 H new ATOM 0 HH12 ARG A 144 12.074 9.650 10.512 1.00 0.00 H new ATOM 0 HH21 ARG A 144 12.723 12.900 9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 144 13.368 11.513 10.192 1.00 0.00 H new ATOM 2248 N GLU A 145 7.568 14.189 4.013 1.00 0.00 N ATOM 2249 CA GLU A 145 7.974 14.968 2.851 1.00 0.00 C ATOM 2250 C GLU A 145 6.931 16.030 2.529 1.00 0.00 C ATOM 2251 O GLU A 145 7.263 17.121 2.061 1.00 0.00 O ATOM 2252 CB GLU A 145 8.185 14.055 1.641 1.00 0.00 C ATOM 2253 CG GLU A 145 9.217 14.579 0.656 1.00 0.00 C ATOM 2254 CD GLU A 145 9.443 13.635 -0.508 1.00 0.00 C ATOM 2255 OE1 GLU A 145 8.480 12.947 -0.910 1.00 0.00 O ATOM 2256 OE2 GLU A 145 10.581 13.585 -1.020 1.00 0.00 O ATOM 0 H GLU A 145 7.211 13.259 3.796 1.00 0.00 H new ATOM 0 HA GLU A 145 8.916 15.463 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.495 13.070 1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 145 7.234 13.926 1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 145 8.892 15.548 0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 145 10.161 14.741 1.176 1.00 0.00 H new ATOM 2263 N VAL A 146 5.669 15.710 2.796 1.00 0.00 N ATOM 2264 CA VAL A 146 4.579 16.640 2.550 1.00 0.00 C ATOM 2265 C VAL A 146 4.490 17.660 3.678 1.00 0.00 C ATOM 2266 O VAL A 146 4.105 18.809 3.466 1.00 0.00 O ATOM 2267 CB VAL A 146 3.229 15.903 2.416 1.00 0.00 C ATOM 2268 CG1 VAL A 146 2.086 16.891 2.230 1.00 0.00 C ATOM 2269 CG2 VAL A 146 3.275 14.912 1.264 1.00 0.00 C ATOM 0 H VAL A 146 5.378 14.812 3.183 1.00 0.00 H new ATOM 0 HA VAL A 146 4.788 17.151 1.610 1.00 0.00 H new ATOM 0 HB VAL A 146 3.050 15.351 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 146 1.146 16.347 2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 146 2.037 17.557 3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 146 2.255 17.478 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 146 2.315 14.402 1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 146 3.482 15.443 0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 146 4.061 14.179 1.445 1.00 0.00 H new ATOM 2279 N ALA A 147 4.859 17.228 4.880 1.00 0.00 N ATOM 2280 CA ALA A 147 4.831 18.100 6.045 1.00 0.00 C ATOM 2281 C ALA A 147 5.963 19.118 5.987 1.00 0.00 C ATOM 2282 O ALA A 147 5.807 20.262 6.414 1.00 0.00 O ATOM 2283 CB ALA A 147 4.929 17.277 7.317 1.00 0.00 C ATOM 0 H ALA A 147 5.181 16.279 5.071 1.00 0.00 H new ATOM 0 HA ALA A 147 3.885 18.641 6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 147 4.907 17.940 8.182 1.00 0.00 H new ATOM 0 HB2 ALA A 147 4.088 16.585 7.369 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.862 16.714 7.315 1.00 0.00 H new ATOM 2289 N GLN A 148 7.104 18.692 5.452 1.00 0.00 N ATOM 2290 CA GLN A 148 8.263 19.567 5.335 1.00 0.00 C ATOM 2291 C GLN A 148 8.082 20.573 4.198 1.00 0.00 C ATOM 2292 O GLN A 148 8.859 21.519 4.069 1.00 0.00 O ATOM 2293 CB GLN A 148 9.529 18.741 5.101 1.00 0.00 C ATOM 2294 CG GLN A 148 9.539 18.002 3.772 1.00 0.00 C ATOM 2295 CD GLN A 148 10.828 17.241 3.537 1.00 0.00 C ATOM 2296 OE1 GLN A 148 11.607 17.017 4.464 1.00 0.00 O ATOM 2297 NE2 GLN A 148 11.061 16.839 2.293 1.00 0.00 N ATOM 0 H GLN A 148 7.249 17.748 5.094 1.00 0.00 H new ATOM 0 HA GLN A 148 8.362 20.119 6.269 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.396 19.400 5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.635 18.018 5.910 1.00 0.00 H new ATOM 0 HG2 GLN A 148 8.700 17.307 3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.391 18.716 2.962 1.00 0.00 H new ATOM 0 HE21 GLN A 148 10.388 17.047 1.555 1.00 0.00 H new ATOM 0 HE22 GLN A 148 11.913 16.323 2.075 1.00 0.00 H new ATOM 2306 N THR A 149 7.058 20.362 3.374 1.00 0.00 N ATOM 2307 CA THR A 149 6.791 21.256 2.251 1.00 0.00 C ATOM 2308 C THR A 149 5.467 21.993 2.438 1.00 0.00 C ATOM 2309 O THR A 149 5.329 23.149 2.042 1.00 0.00 O ATOM 2310 CB THR A 149 6.769 20.470 0.939 1.00 0.00 C ATOM 2311 OG1 THR A 149 6.566 21.336 -0.162 1.00 0.00 O ATOM 2312 CG2 THR A 149 5.690 19.411 0.896 1.00 0.00 C ATOM 0 H THR A 149 6.403 19.585 3.462 1.00 0.00 H new ATOM 0 HA THR A 149 7.592 21.994 2.212 1.00 0.00 H new ATOM 0 HB THR A 149 7.740 19.979 0.880 1.00 0.00 H new ATOM 0 HG1 THR A 149 6.557 20.814 -0.991 1.00 0.00 H new ATOM 0 HG21 THR A 149 5.729 18.890 -0.061 1.00 0.00 H new ATOM 0 HG22 THR A 149 5.849 18.697 1.704 1.00 0.00 H new ATOM 0 HG23 THR A 149 4.714 19.881 1.014 1.00 0.00 H new ATOM 2320 N ALA A 150 4.498 21.315 3.042 1.00 0.00 N ATOM 2321 CA ALA A 150 3.186 21.906 3.279 1.00 0.00 C ATOM 2322 C ALA A 150 2.695 21.607 4.690 1.00 0.00 C ATOM 2323 O ALA A 150 2.549 20.412 5.024 1.00 0.00 O ATOM 2324 CB ALA A 150 2.186 21.397 2.252 1.00 0.00 C ATOM 2325 OXT ALA A 150 2.459 22.570 5.450 1.00 0.00 O ATOM 0 H ALA A 150 4.596 20.356 3.376 1.00 0.00 H new ATOM 0 HA ALA A 150 3.278 22.987 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 150 1.211 21.846 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 150 2.523 21.667 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 150 2.107 20.313 2.328 1.00 0.00 H new