USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 933 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 Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= -0.507 (180deg=-0.536) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -177:sc= -0.98 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0.1 X(o=0.1,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.219 F(o=-0.84,f=-0.22) USER MOD Single : A 44 ASN : amide:sc= -3.8! C(o=-3.8!,f=-6!) USER MOD Single : A 50 ASN : amide:sc= -0.319 K(o=-0.32,f=-6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.722 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.14) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.9!) USER MOD Single : A 84 HIS : no HD1:sc= -0.424 K(o=-0.42,f=-1.6) USER MOD Single : A 87 TYR OH : rot 158:sc= -1.96! USER MOD Single : A 88 MET CE :methyl -152:sc= -0.284 (180deg=-0.989) USER MOD Single : A 98 THR OG1 : rot 94:sc= -0.396 USER MOD Single : A 100 LYS NZ :NH3+ 126:sc= -0.0851 (180deg=-0.477) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 111 LYS NZ :NH3+ -149:sc= -0.192 (180deg=-1.19) USER MOD Single : A 112 GLN : amide:sc= -0.0331 X(o=-0.033,f=-0.033) USER MOD Single : A 115 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 116 GLN : amide:sc= -0.325 K(o=-0.33,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -1.840 -3.087 -3.885 1.00 74.53 N ATOM 41 CA GLU A 4 -2.860 -2.842 -4.897 1.00 44.43 C ATOM 42 C GLU A 4 -3.534 -4.145 -5.317 1.00 72.00 C ATOM 43 O GLU A 4 -4.707 -4.158 -5.694 1.00 41.22 O ATOM 44 CB GLU A 4 -2.244 -2.158 -6.119 1.00 55.41 C ATOM 45 CG GLU A 4 -1.735 -0.753 -5.837 1.00 51.52 C ATOM 46 CD GLU A 4 -1.015 -0.146 -7.025 1.00 0.52 C ATOM 47 OE1 GLU A 4 -1.199 -0.648 -8.153 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -0.266 0.835 -6.826 1.00 44.14 O ATOM 0 HA GLU A 4 -3.614 -2.186 -4.463 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -1.419 -2.767 -6.489 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -2.988 -2.113 -6.914 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -2.574 -0.115 -5.560 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -1.060 -0.780 -4.982 1.00 51.52 H new ATOM 55 N LEU A 5 -2.784 -5.240 -5.250 1.00 43.24 N ATOM 56 CA LEU A 5 -3.308 -6.549 -5.623 1.00 13.32 C ATOM 57 C LEU A 5 -4.541 -6.899 -4.796 1.00 63.44 C ATOM 58 O LEU A 5 -5.477 -7.527 -5.293 1.00 51.25 O ATOM 59 CB LEU A 5 -2.233 -7.623 -5.437 1.00 63.32 C ATOM 60 CG LEU A 5 -1.980 -8.074 -3.998 1.00 2.52 C ATOM 61 CD1 LEU A 5 -2.857 -9.266 -3.651 1.00 32.23 C ATOM 62 CD2 LEU A 5 -0.510 -8.414 -3.798 1.00 74.41 C ATOM 0 H LEU A 5 -1.812 -5.247 -4.941 1.00 43.24 H new ATOM 0 HA LEU A 5 -3.597 -6.511 -6.673 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -2.513 -8.496 -6.027 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.297 -7.247 -5.849 1.00 63.32 H new ATOM 0 HG LEU A 5 -2.237 -7.253 -3.328 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -2.663 -9.573 -2.623 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -3.906 -8.989 -3.755 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -2.631 -10.092 -4.325 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -0.347 -8.733 -2.769 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.227 -9.219 -4.476 1.00 74.41 H new ATOM 0 HD23 LEU A 5 0.099 -7.534 -4.006 1.00 74.41 H new ATOM 74 N LEU A 6 -4.536 -6.487 -3.533 1.00 10.52 N ATOM 75 CA LEU A 6 -5.655 -6.755 -2.636 1.00 13.21 C ATOM 76 C LEU A 6 -6.973 -6.314 -3.265 1.00 51.12 C ATOM 77 O LEU A 6 -7.958 -7.052 -3.249 1.00 73.12 O ATOM 78 CB LEU A 6 -5.447 -6.038 -1.302 1.00 44.03 C ATOM 79 CG LEU A 6 -4.149 -6.361 -0.560 1.00 1.52 C ATOM 80 CD1 LEU A 6 -3.687 -5.164 0.254 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.335 -7.578 0.335 1.00 22.10 C ATOM 0 H LEU A 6 -3.770 -5.966 -3.107 1.00 10.52 H new ATOM 0 HA LEU A 6 -5.700 -7.830 -2.460 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.482 -4.963 -1.481 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.285 -6.279 -0.648 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.380 -6.591 -1.297 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -2.762 -5.413 0.775 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -3.513 -4.318 -0.410 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -4.454 -4.901 0.982 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -3.402 -7.793 0.855 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.119 -7.376 1.065 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -4.618 -8.437 -0.273 1.00 22.10 H new ATOM 93 N ASP A 7 -6.983 -5.106 -3.818 1.00 4.52 N ATOM 94 CA ASP A 7 -8.179 -4.566 -4.454 1.00 25.12 C ATOM 95 C ASP A 7 -8.553 -5.382 -5.688 1.00 33.21 C ATOM 96 O ASP A 7 -9.727 -5.493 -6.039 1.00 24.02 O ATOM 97 CB ASP A 7 -7.961 -3.103 -4.843 1.00 34.32 C ATOM 98 CG ASP A 7 -9.250 -2.305 -4.841 1.00 10.52 C ATOM 99 OD1 ASP A 7 -10.115 -2.579 -3.984 1.00 34.22 O ATOM 100 OD2 ASP A 7 -9.394 -1.408 -5.699 1.00 22.32 O1- ATOM 0 H ASP A 7 -6.176 -4.482 -3.839 1.00 4.52 H new ATOM 0 HA ASP A 7 -8.999 -4.625 -3.738 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -7.254 -2.647 -4.150 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -7.510 -3.057 -5.834 1.00 34.32 H new ATOM 105 N ALA A 8 -7.546 -5.950 -6.343 1.00 74.43 N ATOM 106 CA ALA A 8 -7.768 -6.756 -7.537 1.00 44.45 C ATOM 107 C ALA A 8 -8.763 -7.880 -7.263 1.00 72.11 C ATOM 108 O ALA A 8 -9.738 -8.052 -7.997 1.00 71.43 O ATOM 109 CB ALA A 8 -6.451 -7.327 -8.042 1.00 72.11 C ATOM 0 H ALA A 8 -6.568 -5.867 -6.067 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.190 -6.111 -8.307 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -6.633 -7.927 -8.934 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -5.770 -6.511 -8.285 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.005 -7.953 -7.269 1.00 72.11 H new ATOM 115 N LEU A 9 -8.512 -8.641 -6.205 1.00 65.10 N ATOM 116 CA LEU A 9 -9.385 -9.749 -5.834 1.00 30.43 C ATOM 117 C LEU A 9 -10.825 -9.274 -5.663 1.00 2.51 C ATOM 118 O LEU A 9 -11.757 -9.880 -6.192 1.00 14.11 O ATOM 119 CB LEU A 9 -8.895 -10.402 -4.540 1.00 54.45 C ATOM 120 CG LEU A 9 -7.413 -10.774 -4.497 1.00 52.20 C ATOM 121 CD1 LEU A 9 -6.851 -10.568 -3.099 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.212 -12.215 -4.947 1.00 32.24 C ATOM 0 H LEU A 9 -7.710 -8.511 -5.588 1.00 65.10 H new ATOM 0 HA LEU A 9 -9.357 -10.485 -6.638 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.103 -9.724 -3.713 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -9.481 -11.305 -4.367 1.00 54.45 H new ATOM 0 HG LEU A 9 -6.874 -10.121 -5.183 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -5.795 -10.838 -3.088 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -6.961 -9.522 -2.813 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -7.394 -11.196 -2.393 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.151 -12.463 -4.910 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -7.764 -12.883 -4.286 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -7.577 -12.332 -5.968 1.00 32.24 H new ATOM 134 N THR A 10 -10.999 -8.184 -4.922 1.00 42.42 N ATOM 135 CA THR A 10 -12.325 -7.627 -4.683 1.00 45.22 C ATOM 136 C THR A 10 -13.065 -7.387 -5.994 1.00 33.22 C ATOM 137 O THR A 10 -14.246 -7.714 -6.118 1.00 71.53 O ATOM 138 CB THR A 10 -12.243 -6.301 -3.902 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.619 -6.519 -2.632 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.629 -5.708 -3.698 1.00 62.04 C ATOM 0 H THR A 10 -10.239 -7.670 -4.477 1.00 42.42 H new ATOM 0 HA THR A 10 -12.874 -8.358 -4.089 1.00 45.22 H new ATOM 0 HB THR A 10 -11.646 -5.598 -4.483 1.00 10.42 H new ATOM 0 HG1 THR A 10 -11.569 -5.672 -2.142 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.547 -4.773 -3.145 1.00 62.04 H new ATOM 0 HG22 THR A 10 -14.089 -5.517 -4.667 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.246 -6.409 -3.136 1.00 62.04 H new ATOM 148 N ILE A 11 -12.365 -6.815 -6.968 1.00 32.10 N ATOM 149 CA ILE A 11 -12.956 -6.533 -8.269 1.00 21.23 C ATOM 150 C ILE A 11 -13.550 -7.795 -8.887 1.00 62.33 C ATOM 151 O ILE A 11 -14.569 -7.741 -9.578 1.00 65.32 O ATOM 152 CB ILE A 11 -11.921 -5.937 -9.242 1.00 71.24 C ATOM 153 CG1 ILE A 11 -11.350 -4.636 -8.676 1.00 53.43 C ATOM 154 CG2 ILE A 11 -12.552 -5.697 -10.605 1.00 64.41 C ATOM 155 CD1 ILE A 11 -9.928 -4.360 -9.113 1.00 14.01 C ATOM 0 H ILE A 11 -11.387 -6.538 -6.880 1.00 32.10 H new ATOM 0 HA ILE A 11 -13.748 -5.803 -8.104 1.00 21.23 H new ATOM 0 HB ILE A 11 -11.104 -6.649 -9.363 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -11.984 -3.805 -8.985 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -11.386 -4.676 -7.587 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -11.808 -5.276 -11.281 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -12.916 -6.642 -11.009 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -13.385 -5.001 -10.503 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -9.588 -3.422 -8.674 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -9.281 -5.172 -8.780 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -9.889 -4.287 -10.200 1.00 14.01 H new ATOM 167 N LEU A 12 -12.908 -8.930 -8.634 1.00 75.15 N ATOM 168 CA LEU A 12 -13.373 -10.207 -9.164 1.00 35.45 C ATOM 169 C LEU A 12 -14.647 -10.658 -8.458 1.00 52.41 C ATOM 170 O LEU A 12 -15.453 -11.396 -9.024 1.00 23.30 O ATOM 171 CB LEU A 12 -12.285 -11.272 -9.010 1.00 52.11 C ATOM 172 CG LEU A 12 -10.873 -10.853 -9.418 1.00 0.22 C ATOM 173 CD1 LEU A 12 -9.911 -12.025 -9.292 1.00 0.53 C ATOM 174 CD2 LEU A 12 -10.869 -10.310 -10.840 1.00 60.44 C ATOM 0 H LEU A 12 -12.064 -8.992 -8.065 1.00 75.15 H new ATOM 0 HA LEU A 12 -13.595 -10.074 -10.223 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -12.261 -11.590 -7.968 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -12.570 -12.142 -9.602 1.00 52.11 H new ATOM 0 HG LEU A 12 -10.541 -10.062 -8.746 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -8.911 -11.708 -9.587 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -9.892 -12.371 -8.259 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -10.240 -12.837 -9.940 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -9.856 -10.016 -11.114 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -11.221 -11.081 -11.525 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -11.527 -9.443 -10.900 1.00 60.44 H new ATOM 186 N GLU A 13 -14.821 -10.208 -7.219 1.00 2.20 N ATOM 187 CA GLU A 13 -16.000 -10.565 -6.437 1.00 73.44 C ATOM 188 C GLU A 13 -17.279 -10.180 -7.172 1.00 24.32 C ATOM 189 O GLU A 13 -18.326 -10.801 -6.989 1.00 32.15 O ATOM 190 CB GLU A 13 -15.957 -9.880 -5.069 1.00 53.14 C ATOM 191 CG GLU A 13 -16.760 -10.603 -4.001 1.00 32.32 C ATOM 192 CD GLU A 13 -16.851 -9.816 -2.707 1.00 22.03 C ATOM 193 OE1 GLU A 13 -15.969 -9.992 -1.842 1.00 34.44 O1- ATOM 194 OE2 GLU A 13 -17.806 -9.025 -2.561 1.00 5.24 O ATOM 0 H GLU A 13 -14.162 -9.597 -6.736 1.00 2.20 H new ATOM 0 HA GLU A 13 -15.997 -11.646 -6.295 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -14.920 -9.804 -4.743 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -16.335 -8.863 -5.169 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -17.765 -10.796 -4.376 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -16.302 -11.572 -3.801 1.00 32.32 H new ATOM 201 N LYS A 14 -17.188 -9.148 -8.005 1.00 41.41 N ATOM 202 CA LYS A 14 -18.336 -8.678 -8.770 1.00 53.15 C ATOM 203 C LYS A 14 -18.889 -9.787 -9.660 1.00 32.03 C ATOM 204 O LYS A 14 -20.063 -9.772 -10.027 1.00 33.02 O ATOM 205 CB LYS A 14 -17.945 -7.471 -9.626 1.00 52.04 C ATOM 206 CG LYS A 14 -19.105 -6.538 -9.926 1.00 23.23 C ATOM 207 CD LYS A 14 -18.619 -5.153 -10.323 1.00 74.34 C ATOM 208 CE LYS A 14 -17.869 -5.185 -11.647 1.00 0.54 C ATOM 209 NZ LYS A 14 -18.028 -3.911 -12.403 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.330 -8.621 -8.167 1.00 41.41 H new ATOM 0 HA LYS A 14 -19.113 -8.381 -8.065 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -17.162 -6.911 -9.114 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -17.521 -7.825 -10.566 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -19.711 -6.956 -10.730 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -19.748 -6.461 -9.049 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -19.470 -4.476 -10.401 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -17.968 -4.757 -9.544 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -16.811 -5.368 -11.461 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -18.234 -6.015 -12.252 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -17.503 -3.971 -13.299 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -19.036 -3.749 -12.602 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -17.656 -3.122 -11.836 1.00 44.11 H new ATOM 223 N GLU A 15 -18.035 -10.747 -9.999 1.00 31.13 N ATOM 224 CA GLU A 15 -18.440 -11.865 -10.845 1.00 10.21 C ATOM 225 C GLU A 15 -19.572 -12.656 -10.196 1.00 74.31 C ATOM 226 O GLU A 15 -20.068 -12.292 -9.130 1.00 23.34 O ATOM 227 CB GLU A 15 -17.249 -12.786 -11.115 1.00 45.25 C ATOM 228 CG GLU A 15 -16.291 -12.250 -12.167 1.00 55.15 C ATOM 229 CD GLU A 15 -16.992 -11.872 -13.457 1.00 24.20 C ATOM 230 OE1 GLU A 15 -17.497 -12.783 -14.146 1.00 50.25 O1- ATOM 231 OE2 GLU A 15 -17.036 -10.666 -13.777 1.00 1.53 O ATOM 0 H GLU A 15 -17.060 -10.774 -9.702 1.00 31.13 H new ATOM 0 HA GLU A 15 -18.799 -11.460 -11.791 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -16.703 -12.942 -10.185 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -17.619 -13.760 -11.435 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -15.773 -11.377 -11.770 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -15.531 -13.003 -12.378 1.00 55.15 H new ATOM 238 N LYS A 16 -19.976 -13.741 -10.848 1.00 54.02 N ATOM 239 CA LYS A 16 -21.049 -14.586 -10.335 1.00 15.32 C ATOM 240 C LYS A 16 -20.692 -16.063 -10.475 1.00 60.10 C ATOM 241 O LYS A 16 -20.131 -16.483 -11.485 1.00 20.10 O ATOM 242 CB LYS A 16 -22.355 -14.294 -11.078 1.00 20.41 C ATOM 243 CG LYS A 16 -23.583 -14.878 -10.403 1.00 32.52 C ATOM 244 CD LYS A 16 -23.865 -16.292 -10.881 1.00 20.11 C ATOM 245 CE LYS A 16 -25.351 -16.611 -10.829 1.00 73.12 C ATOM 246 NZ LYS A 16 -25.644 -17.974 -11.355 1.00 30.23 N1+ ATOM 0 H LYS A 16 -19.577 -14.056 -11.732 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.181 -14.360 -9.277 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -22.479 -13.215 -11.167 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -22.284 -14.692 -12.090 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -23.438 -14.881 -9.323 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -24.447 -14.245 -10.607 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -23.501 -16.412 -11.902 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -23.317 -17.003 -10.262 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -25.703 -16.535 -9.800 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -25.902 -15.871 -11.410 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -26.667 -18.154 -11.303 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -25.331 -18.039 -12.345 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -25.139 -18.682 -10.785 1.00 30.23 H new ATOM 260 N GLY A 17 -21.023 -16.846 -9.452 1.00 53.14 N ATOM 261 CA GLY A 17 -20.730 -18.267 -9.481 1.00 1.24 C ATOM 262 C GLY A 17 -19.288 -18.569 -9.125 1.00 24.31 C ATOM 263 O GLY A 17 -18.878 -19.730 -9.102 1.00 30.33 O ATOM 0 H GLY A 17 -21.489 -16.521 -8.604 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -21.389 -18.785 -8.784 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -20.945 -18.659 -10.475 1.00 1.24 H new ATOM 267 N ILE A 18 -18.516 -17.522 -8.850 1.00 51.44 N ATOM 268 CA ILE A 18 -17.112 -17.683 -8.495 1.00 32.50 C ATOM 269 C ILE A 18 -16.753 -16.839 -7.275 1.00 3.32 C ATOM 270 O ILE A 18 -17.222 -15.711 -7.129 1.00 25.41 O ATOM 271 CB ILE A 18 -16.188 -17.293 -9.663 1.00 45.15 C ATOM 272 CG1 ILE A 18 -16.242 -15.783 -9.903 1.00 2.33 C ATOM 273 CG2 ILE A 18 -16.580 -18.050 -10.924 1.00 34.32 C ATOM 274 CD1 ILE A 18 -15.368 -15.322 -11.049 1.00 3.12 C ATOM 0 H ILE A 18 -18.839 -16.555 -8.866 1.00 51.44 H new ATOM 0 HA ILE A 18 -16.965 -18.737 -8.262 1.00 32.50 H new ATOM 0 HB ILE A 18 -15.165 -17.564 -9.403 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -17.273 -15.492 -10.103 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -15.936 -15.267 -8.993 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -15.918 -17.764 -11.741 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -16.494 -19.122 -10.746 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -17.609 -17.807 -11.189 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -15.456 -14.241 -11.162 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -14.330 -15.582 -10.842 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -15.688 -15.810 -11.970 1.00 3.12 H new ATOM 286 N SER A 19 -15.918 -17.395 -6.404 1.00 72.20 N ATOM 287 CA SER A 19 -15.497 -16.695 -5.195 1.00 5.03 C ATOM 288 C SER A 19 -14.023 -16.310 -5.276 1.00 10.11 C ATOM 289 O SER A 19 -13.206 -17.049 -5.825 1.00 55.41 O ATOM 290 CB SER A 19 -15.742 -17.569 -3.963 1.00 70.31 C ATOM 291 OG SER A 19 -16.909 -18.357 -4.121 1.00 12.11 O ATOM 0 H SER A 19 -15.519 -18.328 -6.512 1.00 72.20 H new ATOM 0 HA SER A 19 -16.088 -15.783 -5.108 1.00 5.03 H new ATOM 0 HB2 SER A 19 -14.882 -18.217 -3.796 1.00 70.31 H new ATOM 0 HB3 SER A 19 -15.842 -16.938 -3.080 1.00 70.31 H new ATOM 0 HG SER A 19 -17.043 -18.908 -3.321 1.00 12.11 H new ATOM 297 N LYS A 20 -13.691 -15.149 -4.724 1.00 21.45 N ATOM 298 CA LYS A 20 -12.315 -14.663 -4.729 1.00 74.43 C ATOM 299 C LYS A 20 -11.439 -15.502 -3.806 1.00 44.01 C ATOM 300 O LYS A 20 -10.217 -15.525 -3.947 1.00 62.25 O ATOM 301 CB LYS A 20 -12.269 -13.195 -4.300 1.00 25.14 C ATOM 302 CG LYS A 20 -12.862 -12.944 -2.925 1.00 31.04 C ATOM 303 CD LYS A 20 -11.779 -12.798 -1.869 1.00 45.33 C ATOM 304 CE LYS A 20 -11.250 -11.373 -1.807 1.00 73.32 C ATOM 305 NZ LYS A 20 -9.833 -11.327 -1.351 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.356 -14.525 -4.267 1.00 21.45 H new ATOM 0 HA LYS A 20 -11.929 -14.750 -5.745 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.233 -12.856 -4.307 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -12.807 -12.594 -5.033 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -13.471 -12.041 -2.950 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -13.524 -13.768 -2.657 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -12.178 -13.082 -0.895 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -10.960 -13.482 -2.089 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -11.330 -10.913 -2.792 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -11.869 -10.785 -1.129 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -9.541 -10.337 -1.224 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -9.743 -11.833 -0.447 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -9.224 -11.779 -2.063 1.00 24.23 H new ATOM 319 N GLU A 21 -12.071 -16.191 -2.861 1.00 64.52 N ATOM 320 CA GLU A 21 -11.347 -17.032 -1.915 1.00 11.33 C ATOM 321 C GLU A 21 -10.449 -18.025 -2.646 1.00 34.03 C ATOM 322 O GLU A 21 -9.339 -18.319 -2.201 1.00 42.53 O ATOM 323 CB GLU A 21 -12.327 -17.783 -1.011 1.00 34.13 C ATOM 324 CG GLU A 21 -13.355 -16.882 -0.347 1.00 74.01 C ATOM 325 CD GLU A 21 -14.053 -17.554 0.819 1.00 20.11 C ATOM 326 OE1 GLU A 21 -13.351 -18.061 1.719 1.00 42.41 O1- ATOM 327 OE2 GLU A 21 -15.302 -17.573 0.832 1.00 12.41 O ATOM 0 H GLU A 21 -13.083 -16.183 -2.730 1.00 64.52 H new ATOM 0 HA GLU A 21 -10.720 -16.386 -1.301 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -12.846 -18.539 -1.600 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -11.766 -18.310 -0.239 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -12.865 -15.974 0.003 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -14.098 -16.579 -1.085 1.00 74.01 H new ATOM 334 N ILE A 22 -10.937 -18.538 -3.771 1.00 11.12 N ATOM 335 CA ILE A 22 -10.179 -19.498 -4.564 1.00 52.11 C ATOM 336 C ILE A 22 -9.106 -18.800 -5.392 1.00 5.14 C ATOM 337 O ILE A 22 -8.098 -19.406 -5.757 1.00 62.02 O ATOM 338 CB ILE A 22 -11.097 -20.299 -5.505 1.00 23.14 C ATOM 339 CG1 ILE A 22 -12.166 -21.042 -4.699 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.280 -21.277 -6.336 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.453 -20.262 -4.541 1.00 40.42 C ATOM 0 H ILE A 22 -11.853 -18.305 -4.153 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.705 -20.184 -3.862 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.595 -19.604 -6.181 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -12.384 -21.992 -5.188 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -11.768 -21.276 -3.711 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -10.943 -21.836 -6.996 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.552 -20.728 -6.933 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.759 -21.969 -5.675 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.165 -20.848 -3.960 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.249 -19.324 -4.025 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -13.874 -20.051 -5.524 1.00 40.42 H new ATOM 353 N ILE A 23 -9.328 -17.523 -5.684 1.00 13.43 N ATOM 354 CA ILE A 23 -8.379 -16.743 -6.467 1.00 72.34 C ATOM 355 C ILE A 23 -7.046 -16.606 -5.738 1.00 55.40 C ATOM 356 O ILE A 23 -5.981 -16.721 -6.344 1.00 31.34 O ATOM 357 CB ILE A 23 -8.926 -15.337 -6.779 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.236 -15.439 -7.562 1.00 1.43 C ATOM 359 CG2 ILE A 23 -7.899 -14.529 -7.556 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.067 -16.018 -8.949 1.00 34.01 C ATOM 0 H ILE A 23 -10.157 -17.007 -5.390 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.226 -17.281 -7.403 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.126 -14.824 -5.838 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -10.937 -16.057 -7.002 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.680 -14.447 -7.643 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.301 -13.538 -7.769 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -6.989 -14.432 -6.964 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.670 -15.036 -8.493 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -11.036 -16.061 -9.446 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.391 -15.388 -9.526 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.652 -17.023 -8.876 1.00 34.01 H new ATOM 372 N ILE A 24 -7.114 -16.362 -4.434 1.00 51.31 N ATOM 373 CA ILE A 24 -5.913 -16.213 -3.621 1.00 74.21 C ATOM 374 C ILE A 24 -4.976 -17.403 -3.801 1.00 44.54 C ATOM 375 O ILE A 24 -3.756 -17.249 -3.802 1.00 32.23 O ATOM 376 CB ILE A 24 -6.258 -16.067 -2.127 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.072 -14.792 -1.891 1.00 11.23 C ATOM 378 CG2 ILE A 24 -4.989 -16.055 -1.289 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.530 -15.054 -1.588 1.00 31.23 C ATOM 0 H ILE A 24 -7.988 -16.263 -3.917 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.414 -15.305 -3.960 1.00 74.21 H new ATOM 0 HB ILE A 24 -6.862 -16.922 -1.823 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -6.631 -14.237 -1.063 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.001 -14.157 -2.774 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.250 -15.951 -0.236 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.446 -16.988 -1.438 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.361 -15.217 -1.592 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.045 -14.106 -1.432 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -8.987 -15.582 -2.425 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -8.611 -15.663 -0.688 1.00 31.23 H new ATOM 391 N GLU A 25 -5.557 -18.589 -3.955 1.00 72.53 N ATOM 392 CA GLU A 25 -4.774 -19.804 -4.137 1.00 43.13 C ATOM 393 C GLU A 25 -4.041 -19.784 -5.475 1.00 2.50 C ATOM 394 O GLU A 25 -2.976 -20.383 -5.620 1.00 34.42 O ATOM 395 CB GLU A 25 -5.678 -21.037 -4.056 1.00 73.04 C ATOM 396 CG GLU A 25 -6.516 -21.096 -2.791 1.00 44.41 C ATOM 397 CD GLU A 25 -6.888 -22.514 -2.403 1.00 73.01 C ATOM 398 OE1 GLU A 25 -7.397 -23.252 -3.270 1.00 32.20 O ATOM 399 OE2 GLU A 25 -6.669 -22.883 -1.230 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.567 -18.733 -3.957 1.00 72.53 H new ATOM 0 HA GLU A 25 -4.034 -19.852 -3.338 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.341 -21.048 -4.921 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -5.061 -21.934 -4.115 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -5.965 -20.632 -1.973 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.425 -20.512 -2.934 1.00 44.41 H new ATOM 406 N ALA A 26 -4.620 -19.091 -6.450 1.00 1.41 N ATOM 407 CA ALA A 26 -4.022 -18.991 -7.775 1.00 44.13 C ATOM 408 C ALA A 26 -2.750 -18.152 -7.741 1.00 13.13 C ATOM 409 O ALA A 26 -1.710 -18.564 -8.256 1.00 24.00 O ATOM 410 CB ALA A 26 -5.020 -18.401 -8.761 1.00 14.40 C ATOM 0 H ALA A 26 -5.503 -18.591 -6.347 1.00 1.41 H new ATOM 0 HA ALA A 26 -3.754 -19.996 -8.103 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.560 -18.332 -9.747 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -5.900 -19.042 -8.815 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.316 -17.406 -8.428 1.00 14.40 H new ATOM 416 N ILE A 27 -2.840 -16.974 -7.134 1.00 44.10 N ATOM 417 CA ILE A 27 -1.695 -16.076 -7.034 1.00 13.45 C ATOM 418 C ILE A 27 -0.499 -16.782 -6.405 1.00 13.44 C ATOM 419 O ILE A 27 0.614 -16.720 -6.926 1.00 54.42 O ATOM 420 CB ILE A 27 -2.033 -14.824 -6.204 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.117 -14.000 -6.902 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.784 -13.984 -5.981 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.505 -14.235 -6.347 1.00 74.33 C ATOM 0 H ILE A 27 -3.694 -16.618 -6.704 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.442 -15.771 -8.049 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.413 -15.141 -5.233 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -2.872 -12.942 -6.811 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -3.115 -14.238 -7.966 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -1.039 -13.102 -5.393 1.00 13.51 H new ATOM 0 HG22 ILE A 27 -0.039 -14.574 -5.447 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.378 -13.673 -6.944 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.223 -13.619 -6.889 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.770 -15.286 -6.462 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.524 -13.970 -5.290 1.00 74.33 H new ATOM 435 N GLU A 28 -0.737 -17.454 -5.283 1.00 54.21 N ATOM 436 CA GLU A 28 0.323 -18.173 -4.585 1.00 54.51 C ATOM 437 C GLU A 28 0.955 -19.226 -5.490 1.00 43.41 C ATOM 438 O GLU A 28 2.178 -19.328 -5.580 1.00 43.02 O ATOM 439 CB GLU A 28 -0.228 -18.836 -3.320 1.00 64.12 C ATOM 440 CG GLU A 28 -1.003 -17.885 -2.422 1.00 40.22 C ATOM 441 CD GLU A 28 -0.309 -17.639 -1.097 1.00 51.43 C ATOM 442 OE1 GLU A 28 0.841 -17.152 -1.110 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -0.917 -17.932 -0.047 1.00 63.03 O ATOM 0 H GLU A 28 -1.653 -17.516 -4.838 1.00 54.21 H new ATOM 0 HA GLU A 28 1.091 -17.453 -4.305 1.00 54.51 H new ATOM 0 HB2 GLU A 28 -0.878 -19.662 -3.607 1.00 64.12 H new ATOM 0 HB3 GLU A 28 0.600 -19.263 -2.754 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -1.140 -16.935 -2.938 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.996 -18.294 -2.237 1.00 40.22 H new ATOM 450 N ALA A 29 0.112 -20.007 -6.158 1.00 30.04 N ATOM 451 CA ALA A 29 0.587 -21.050 -7.058 1.00 12.54 C ATOM 452 C ALA A 29 1.425 -20.461 -8.187 1.00 13.03 C ATOM 453 O ALA A 29 2.332 -21.114 -8.705 1.00 61.31 O ATOM 454 CB ALA A 29 -0.587 -21.835 -7.622 1.00 31.13 C ATOM 0 H ALA A 29 -0.903 -19.937 -6.093 1.00 30.04 H new ATOM 0 HA ALA A 29 1.221 -21.728 -6.487 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.217 -22.611 -8.293 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.143 -22.296 -6.805 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.244 -21.162 -8.173 1.00 31.13 H new ATOM 460 N ALA A 30 1.116 -19.226 -8.565 1.00 53.23 N ATOM 461 CA ALA A 30 1.842 -18.549 -9.633 1.00 23.45 C ATOM 462 C ALA A 30 3.214 -18.087 -9.158 1.00 61.02 C ATOM 463 O ALA A 30 4.226 -18.332 -9.815 1.00 51.44 O ATOM 464 CB ALA A 30 1.035 -17.368 -10.154 1.00 32.41 C ATOM 0 H ALA A 30 0.367 -18.673 -8.148 1.00 53.23 H new ATOM 0 HA ALA A 30 1.990 -19.260 -10.445 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.589 -16.872 -10.951 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.080 -17.723 -10.542 1.00 32.41 H new ATOM 0 HB3 ALA A 30 0.857 -16.663 -9.342 1.00 32.41 H new ATOM 470 N LEU A 31 3.243 -17.417 -8.011 1.00 5.35 N ATOM 471 CA LEU A 31 4.493 -16.919 -7.446 1.00 1.23 C ATOM 472 C LEU A 31 5.457 -18.067 -7.163 1.00 21.11 C ATOM 473 O LEU A 31 6.612 -18.038 -7.588 1.00 34.51 O ATOM 474 CB LEU A 31 4.218 -16.139 -6.160 1.00 45.33 C ATOM 475 CG LEU A 31 3.854 -14.664 -6.335 1.00 33.31 C ATOM 476 CD1 LEU A 31 2.344 -14.482 -6.318 1.00 53.12 C ATOM 477 CD2 LEU A 31 4.507 -13.821 -5.249 1.00 43.31 C ATOM 0 H LEU A 31 2.415 -17.206 -7.454 1.00 5.35 H new ATOM 0 HA LEU A 31 4.954 -16.253 -8.175 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.406 -16.632 -5.626 1.00 45.33 H new ATOM 0 HB3 LEU A 31 5.101 -16.202 -5.525 1.00 45.33 H new ATOM 0 HG LEU A 31 4.229 -14.329 -7.302 1.00 33.31 H new ATOM 0 HD11 LEU A 31 2.103 -13.426 -6.444 1.00 53.12 H new ATOM 0 HD12 LEU A 31 1.899 -15.055 -7.132 1.00 53.12 H new ATOM 0 HD13 LEU A 31 1.946 -14.834 -5.366 1.00 53.12 H new ATOM 0 HD21 LEU A 31 4.237 -12.774 -5.389 1.00 43.31 H new ATOM 0 HD22 LEU A 31 4.162 -14.157 -4.271 1.00 43.31 H new ATOM 0 HD23 LEU A 31 5.590 -13.927 -5.308 1.00 43.31 H new ATOM 489 N ILE A 32 4.974 -19.075 -6.444 1.00 24.45 N ATOM 490 CA ILE A 32 5.792 -20.233 -6.107 1.00 71.03 C ATOM 491 C ILE A 32 6.356 -20.891 -7.362 1.00 24.23 C ATOM 492 O ILE A 32 7.512 -21.314 -7.386 1.00 63.05 O ATOM 493 CB ILE A 32 4.989 -21.277 -5.310 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.866 -22.489 -4.985 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.755 -21.704 -6.090 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.462 -23.203 -3.714 1.00 4.22 C ATOM 0 H ILE A 32 4.020 -19.113 -6.084 1.00 24.45 H new ATOM 0 HA ILE A 32 6.613 -19.870 -5.489 1.00 71.03 H new ATOM 0 HB ILE A 32 4.665 -20.825 -4.373 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.823 -23.192 -5.817 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.903 -22.164 -4.896 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.198 -22.442 -5.514 1.00 41.15 H new ATOM 0 HG22 ILE A 32 3.123 -20.835 -6.275 1.00 41.15 H new ATOM 0 HG23 ILE A 32 4.059 -22.141 -7.041 1.00 41.15 H new ATOM 0 HD11 ILE A 32 6.126 -24.051 -3.546 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.532 -22.515 -2.872 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.436 -23.559 -3.807 1.00 4.22 H new ATOM 508 N SER A 33 5.533 -20.974 -8.401 1.00 23.51 N ATOM 509 CA SER A 33 5.949 -21.582 -9.660 1.00 62.33 C ATOM 510 C SER A 33 7.007 -20.729 -10.352 1.00 1.44 C ATOM 511 O SER A 33 7.940 -21.252 -10.961 1.00 2.10 O ATOM 512 CB SER A 33 4.744 -21.768 -10.583 1.00 3.21 C ATOM 513 OG SER A 33 5.151 -21.880 -11.936 1.00 24.42 O ATOM 0 H SER A 33 4.574 -20.628 -8.397 1.00 23.51 H new ATOM 0 HA SER A 33 6.382 -22.557 -9.438 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.192 -22.662 -10.291 1.00 3.21 H new ATOM 0 HB3 SER A 33 4.064 -20.923 -10.473 1.00 3.21 H new ATOM 0 HG SER A 33 4.363 -22.000 -12.506 1.00 24.42 H new ATOM 519 N ALA A 34 6.855 -19.412 -10.254 1.00 22.53 N ATOM 520 CA ALA A 34 7.797 -18.486 -10.868 1.00 1.34 C ATOM 521 C ALA A 34 9.181 -18.612 -10.237 1.00 52.14 C ATOM 522 O ALA A 34 10.186 -18.718 -10.940 1.00 62.24 O ATOM 523 CB ALA A 34 7.288 -17.057 -10.746 1.00 23.24 C ATOM 0 H ALA A 34 6.087 -18.963 -9.755 1.00 22.53 H new ATOM 0 HA ALA A 34 7.883 -18.741 -11.924 1.00 1.34 H new ATOM 0 HB1 ALA A 34 8.002 -16.376 -11.209 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.325 -16.970 -11.248 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.172 -16.801 -9.693 1.00 23.24 H new ATOM 529 N TYR A 35 9.224 -18.600 -8.910 1.00 60.44 N ATOM 530 CA TYR A 35 10.484 -18.710 -8.186 1.00 42.44 C ATOM 531 C TYR A 35 11.062 -20.117 -8.307 1.00 40.45 C ATOM 532 O TYR A 35 12.269 -20.294 -8.468 1.00 13.24 O ATOM 533 CB TYR A 35 10.282 -18.355 -6.711 1.00 14.41 C ATOM 534 CG TYR A 35 11.458 -18.719 -5.835 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.544 -19.971 -5.238 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.483 -17.811 -5.601 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.616 -20.308 -4.434 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.561 -18.140 -4.800 1.00 13.02 C ATOM 539 CZ TYR A 35 13.622 -19.389 -4.220 1.00 1.20 C ATOM 540 OH TYR A 35 14.692 -19.720 -3.420 1.00 72.42 O ATOM 0 H TYR A 35 8.401 -18.515 -8.314 1.00 60.44 H new ATOM 0 HA TYR A 35 11.190 -18.008 -8.629 1.00 42.44 H new ATOM 0 HB2 TYR A 35 10.094 -17.285 -6.626 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.393 -18.865 -6.342 1.00 14.41 H new ATOM 0 HD1 TYR A 35 10.759 -20.693 -5.405 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.437 -16.831 -6.053 1.00 31.21 H new ATOM 0 HE1 TYR A 35 12.666 -21.285 -3.976 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.350 -17.423 -4.630 1.00 13.02 H new ATOM 0 HH TYR A 35 15.288 -18.947 -3.334 1.00 72.42 H new ATOM 550 N LYS A 36 10.189 -21.115 -8.228 1.00 5.13 N ATOM 551 CA LYS A 36 10.608 -22.508 -8.330 1.00 11.15 C ATOM 552 C LYS A 36 11.387 -22.749 -9.620 1.00 32.14 C ATOM 553 O LYS A 36 12.310 -23.562 -9.655 1.00 62.43 O ATOM 554 CB LYS A 36 9.390 -23.435 -8.276 1.00 64.34 C ATOM 555 CG LYS A 36 9.046 -23.905 -6.874 1.00 20.30 C ATOM 556 CD LYS A 36 8.206 -25.171 -6.901 1.00 1.42 C ATOM 557 CE LYS A 36 7.722 -25.549 -5.510 1.00 45.53 C ATOM 558 NZ LYS A 36 7.391 -26.997 -5.411 1.00 21.13 N1+ ATOM 0 H LYS A 36 9.186 -20.985 -8.094 1.00 5.13 H new ATOM 0 HA LYS A 36 11.261 -22.727 -7.485 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.529 -22.915 -8.697 1.00 64.34 H new ATOM 0 HB3 LYS A 36 9.577 -24.305 -8.906 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.964 -24.088 -6.315 1.00 20.30 H new ATOM 0 HG3 LYS A 36 8.504 -23.119 -6.348 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.349 -25.026 -7.559 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.793 -25.989 -7.318 1.00 1.42 H new ATOM 0 HE2 LYS A 36 8.491 -25.302 -4.778 1.00 45.53 H new ATOM 0 HE3 LYS A 36 6.842 -24.957 -5.259 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 7.065 -27.214 -4.447 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 6.639 -27.228 -6.091 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 8.237 -27.562 -5.625 1.00 21.13 H new ATOM 572 N ARG A 37 11.008 -22.036 -10.676 1.00 74.25 N ATOM 573 CA ARG A 37 11.671 -22.172 -11.967 1.00 53.51 C ATOM 574 C ARG A 37 13.170 -21.914 -11.838 1.00 13.30 C ATOM 575 O ARG A 37 13.962 -22.371 -12.662 1.00 74.35 O ATOM 576 CB ARG A 37 11.061 -21.205 -12.982 1.00 25.33 C ATOM 577 CG ARG A 37 9.681 -21.620 -13.467 1.00 1.44 C ATOM 578 CD ARG A 37 9.595 -21.602 -14.984 1.00 4.13 C ATOM 579 NE ARG A 37 9.862 -22.916 -15.563 1.00 22.22 N ATOM 580 CZ ARG A 37 10.023 -23.127 -16.865 1.00 71.43 C ATOM 581 NH1 ARG A 37 9.948 -22.116 -17.718 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 10.263 -24.352 -17.315 1.00 43.33 N ATOM 0 H ARG A 37 10.246 -21.359 -10.663 1.00 74.25 H new ATOM 0 HA ARG A 37 11.525 -23.194 -12.317 1.00 53.51 H new ATOM 0 HB2 ARG A 37 10.996 -20.214 -12.533 1.00 25.33 H new ATOM 0 HB3 ARG A 37 11.729 -21.123 -13.840 1.00 25.33 H new ATOM 0 HG2 ARG A 37 9.451 -22.620 -13.100 1.00 1.44 H new ATOM 0 HG3 ARG A 37 8.931 -20.948 -13.051 1.00 1.44 H new ATOM 0 HD2 ARG A 37 8.603 -21.267 -15.287 1.00 4.13 H new ATOM 0 HD3 ARG A 37 10.309 -20.880 -15.379 1.00 4.13 H new ATOM 0 HE ARG A 37 9.929 -23.716 -14.933 1.00 22.22 H new ATOM 0 HH11 ARG A 37 9.766 -21.172 -17.376 1.00 64.15 H new ATOM 0 HH12 ARG A 37 10.072 -22.281 -18.717 1.00 64.15 H new ATOM 0 HH21 ARG A 37 10.324 -25.133 -16.661 1.00 43.33 H new ATOM 0 HH22 ARG A 37 10.386 -24.513 -18.315 1.00 43.33 H new ATOM 596 N ASN A 38 13.551 -21.179 -10.799 1.00 64.14 N ATOM 597 CA ASN A 38 14.954 -20.858 -10.563 1.00 2.44 C ATOM 598 C ASN A 38 15.669 -22.019 -9.878 1.00 62.25 C ATOM 599 O ASN A 38 16.871 -22.216 -10.059 1.00 62.41 O ATOM 600 CB ASN A 38 15.074 -19.595 -9.709 1.00 14.03 C ATOM 601 CG ASN A 38 14.587 -18.357 -10.436 1.00 30.51 C ATOM 602 OD1 ASN A 38 15.384 -17.566 -10.941 1.00 23.41 O ATOM 603 ND2 ASN A 38 13.271 -18.183 -10.492 1.00 43.51 N ATOM 0 H ASN A 38 12.908 -20.794 -10.107 1.00 64.14 H new ATOM 0 HA ASN A 38 15.428 -20.681 -11.529 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.499 -19.724 -8.792 1.00 14.03 H new ATOM 0 HB3 ASN A 38 16.115 -19.455 -9.416 1.00 14.03 H new ATOM 0 HD21 ASN A 38 12.884 -17.368 -10.968 1.00 43.51 H new ATOM 0 HD22 ASN A 38 12.648 -18.865 -10.059 1.00 43.51 H new ATOM 610 N PHE A 39 14.922 -22.786 -9.092 1.00 74.50 N ATOM 611 CA PHE A 39 15.484 -23.927 -8.378 1.00 13.22 C ATOM 612 C PHE A 39 14.426 -25.003 -8.155 1.00 13.23 C ATOM 613 O PHE A 39 13.991 -25.236 -7.028 1.00 12.23 O ATOM 614 CB PHE A 39 16.065 -23.481 -7.035 1.00 22.33 C ATOM 615 CG PHE A 39 17.364 -22.737 -7.162 1.00 63.55 C ATOM 616 CD1 PHE A 39 18.455 -23.321 -7.783 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.493 -21.452 -6.658 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.651 -22.639 -7.901 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.687 -20.765 -6.773 1.00 73.20 C ATOM 620 CZ PHE A 39 19.767 -21.359 -7.395 1.00 41.30 C ATOM 0 H PHE A 39 13.925 -22.639 -8.933 1.00 74.50 H new ATOM 0 HA PHE A 39 16.283 -24.348 -8.989 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.339 -22.845 -6.527 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.217 -24.357 -6.405 1.00 22.33 H new ATOM 0 HD1 PHE A 39 18.370 -24.322 -8.180 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.652 -20.983 -6.170 1.00 1.45 H new ATOM 0 HE1 PHE A 39 20.494 -23.106 -8.388 1.00 20.44 H new ATOM 0 HE2 PHE A 39 18.775 -19.764 -6.377 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.701 -20.824 -7.486 1.00 41.30 H new ATOM 630 N ASN A 40 14.017 -25.656 -9.238 1.00 5.11 N ATOM 631 CA ASN A 40 13.008 -26.707 -9.161 1.00 31.44 C ATOM 632 C ASN A 40 13.609 -27.998 -8.611 1.00 13.21 C ATOM 633 O ASN A 40 13.114 -28.555 -7.631 1.00 10.21 O ATOM 634 CB ASN A 40 12.402 -26.963 -10.543 1.00 21.11 C ATOM 635 CG ASN A 40 11.087 -27.714 -10.467 1.00 35.33 C ATOM 636 OD1 ASN A 40 10.051 -27.143 -10.124 1.00 34.12 O ATOM 637 ND2 ASN A 40 11.123 -29.003 -10.786 1.00 33.42 N ATOM 0 H ASN A 40 14.368 -25.476 -10.179 1.00 5.11 H new ATOM 0 HA ASN A 40 12.223 -26.374 -8.483 1.00 31.44 H new ATOM 0 HB2 ASN A 40 12.245 -26.011 -11.050 1.00 21.11 H new ATOM 0 HB3 ASN A 40 13.108 -27.533 -11.147 1.00 21.11 H new ATOM 0 HD21 ASN A 40 10.270 -29.561 -10.752 1.00 33.42 H new ATOM 0 HD22 ASN A 40 12.004 -29.435 -11.065 1.00 33.42 H new ATOM 644 N GLN A 41 14.677 -28.466 -9.249 1.00 42.41 N ATOM 645 CA GLN A 41 15.345 -29.690 -8.823 1.00 32.21 C ATOM 646 C GLN A 41 16.424 -29.390 -7.789 1.00 10.23 C ATOM 647 O GLN A 41 17.224 -30.259 -7.443 1.00 2.54 O ATOM 648 CB GLN A 41 15.959 -30.406 -10.027 1.00 24.30 C ATOM 649 CG GLN A 41 16.876 -29.523 -10.857 1.00 23.03 C ATOM 650 CD GLN A 41 17.773 -30.320 -11.784 1.00 60.23 C ATOM 651 OE1 GLN A 41 18.890 -30.689 -11.419 1.00 25.31 O ATOM 652 NE2 GLN A 41 17.288 -30.591 -12.989 1.00 53.52 N ATOM 0 H GLN A 41 15.098 -28.016 -10.062 1.00 42.41 H new ATOM 0 HA GLN A 41 14.600 -30.340 -8.364 1.00 32.21 H new ATOM 0 HB2 GLN A 41 16.521 -31.272 -9.677 1.00 24.30 H new ATOM 0 HB3 GLN A 41 15.158 -30.783 -10.663 1.00 24.30 H new ATOM 0 HG2 GLN A 41 16.273 -28.832 -11.446 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.493 -28.919 -10.191 1.00 23.03 H new ATOM 0 HE21 GLN A 41 16.357 -30.265 -13.249 1.00 53.52 H new ATOM 0 HE22 GLN A 41 17.846 -31.125 -13.655 1.00 53.52 H new ATOM 661 N ALA A 42 16.441 -28.155 -7.299 1.00 53.10 N ATOM 662 CA ALA A 42 17.422 -27.741 -6.304 1.00 45.11 C ATOM 663 C ALA A 42 16.843 -27.824 -4.895 1.00 30.22 C ATOM 664 O ALA A 42 17.539 -28.194 -3.950 1.00 53.42 O ATOM 665 CB ALA A 42 17.905 -26.328 -6.595 1.00 52.01 C ATOM 0 H ALA A 42 15.786 -27.423 -7.575 1.00 53.10 H new ATOM 0 HA ALA A 42 18.271 -28.422 -6.361 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.637 -26.032 -5.844 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.365 -26.297 -7.583 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.059 -25.641 -6.567 1.00 52.01 H new ATOM 671 N GLN A 43 15.566 -27.480 -4.764 1.00 44.33 N ATOM 672 CA GLN A 43 14.896 -27.514 -3.469 1.00 63.21 C ATOM 673 C GLN A 43 13.440 -27.076 -3.598 1.00 62.24 C ATOM 674 O GLN A 43 13.073 -26.384 -4.546 1.00 74.55 O ATOM 675 CB GLN A 43 15.625 -26.616 -2.469 1.00 72.12 C ATOM 676 CG GLN A 43 15.757 -27.229 -1.084 1.00 43.55 C ATOM 677 CD GLN A 43 16.086 -26.202 -0.019 1.00 74.41 C ATOM 678 OE1 GLN A 43 15.104 -25.874 0.812 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 17.211 -25.707 0.056 1.00 50.05 N flip ATOM 0 H GLN A 43 14.975 -27.175 -5.537 1.00 44.33 H new ATOM 0 HA GLN A 43 14.917 -28.541 -3.105 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.620 -26.391 -2.854 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.092 -25.669 -2.389 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.825 -27.731 -0.823 1.00 43.55 H new ATOM 0 HG3 GLN A 43 16.536 -27.991 -1.101 1.00 43.55 H new ATOM 0 HE21 GLN A 43 17.937 -25.988 -0.603 1.00 50.05 H new ATOM 0 HE22 GLN A 43 17.417 -25.016 0.778 1.00 50.05 H new ATOM 688 N ASN A 44 12.617 -27.485 -2.638 1.00 61.24 N ATOM 689 CA ASN A 44 11.201 -27.134 -2.645 1.00 5.03 C ATOM 690 C ASN A 44 10.983 -25.741 -2.063 1.00 45.14 C ATOM 691 O ASN A 44 11.938 -25.030 -1.749 1.00 15.42 O ATOM 692 CB ASN A 44 10.397 -28.163 -1.849 1.00 2.54 C ATOM 693 CG ASN A 44 10.841 -28.250 -0.402 1.00 33.50 C ATOM 694 OD1 ASN A 44 11.841 -27.650 -0.010 1.00 53.44 O ATOM 695 ND2 ASN A 44 10.096 -29.002 0.401 1.00 2.43 N ATOM 0 H ASN A 44 12.906 -28.059 -1.846 1.00 61.24 H new ATOM 0 HA ASN A 44 10.857 -27.134 -3.679 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.339 -27.902 -1.887 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.500 -29.142 -2.317 1.00 2.54 H new ATOM 0 HD21 ASN A 44 10.345 -29.099 1.385 1.00 2.43 H new ATOM 0 HD22 ASN A 44 9.275 -29.482 0.033 1.00 2.43 H new ATOM 702 N VAL A 45 9.719 -25.356 -1.922 1.00 44.30 N ATOM 703 CA VAL A 45 9.374 -24.048 -1.376 1.00 71.11 C ATOM 704 C VAL A 45 7.867 -23.913 -1.186 1.00 24.13 C ATOM 705 O VAL A 45 7.086 -24.640 -1.799 1.00 24.45 O ATOM 706 CB VAL A 45 9.870 -22.911 -2.288 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.013 -22.820 -3.542 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.872 -21.589 -1.537 1.00 21.34 C ATOM 0 H VAL A 45 8.916 -25.931 -2.178 1.00 44.30 H new ATOM 0 HA VAL A 45 9.868 -23.968 -0.408 1.00 71.11 H new ATOM 0 HB VAL A 45 10.893 -23.132 -2.591 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.378 -22.011 -4.174 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.068 -23.761 -4.089 1.00 23.33 H new ATOM 0 HG13 VAL A 45 7.978 -22.623 -3.262 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.225 -20.796 -2.197 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.860 -21.359 -1.203 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.532 -21.663 -0.672 1.00 21.34 H new ATOM 718 N ARG A 46 7.467 -22.976 -0.333 1.00 33.25 N ATOM 719 CA ARG A 46 6.053 -22.745 -0.060 1.00 13.25 C ATOM 720 C ARG A 46 5.773 -21.258 0.137 1.00 35.22 C ATOM 721 O ARG A 46 6.195 -20.662 1.128 1.00 45.34 O ATOM 722 CB ARG A 46 5.615 -23.526 1.180 1.00 60.23 C ATOM 723 CG ARG A 46 5.877 -25.020 1.082 1.00 34.50 C ATOM 724 CD ARG A 46 4.937 -25.687 0.091 1.00 54.54 C ATOM 725 NE ARG A 46 5.369 -27.040 -0.248 1.00 74.02 N ATOM 726 CZ ARG A 46 4.870 -27.739 -1.262 1.00 73.42 C ATOM 727 NH1 ARG A 46 3.926 -27.214 -2.031 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 5.314 -28.965 -1.507 1.00 42.44 N ATOM 0 H ARG A 46 8.101 -22.365 0.181 1.00 33.25 H new ATOM 0 HA ARG A 46 5.482 -23.094 -0.920 1.00 13.25 H new ATOM 0 HB2 ARG A 46 6.137 -23.130 2.051 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.550 -23.362 1.345 1.00 60.23 H new ATOM 0 HG2 ARG A 46 6.909 -25.190 0.777 1.00 34.50 H new ATOM 0 HG3 ARG A 46 5.756 -25.477 2.064 1.00 34.50 H new ATOM 0 HD2 ARG A 46 3.932 -25.722 0.512 1.00 54.54 H new ATOM 0 HD3 ARG A 46 4.882 -25.086 -0.817 1.00 54.54 H new ATOM 0 HE ARG A 46 6.094 -27.472 0.325 1.00 74.02 H new ATOM 0 HH11 ARG A 46 3.582 -26.272 -1.845 1.00 53.11 H new ATOM 0 HH12 ARG A 46 3.544 -27.752 -2.809 1.00 53.11 H new ATOM 0 HH21 ARG A 46 6.039 -29.372 -0.917 1.00 42.44 H new ATOM 0 HH22 ARG A 46 4.930 -29.500 -2.286 1.00 42.44 H new ATOM 742 N VAL A 47 5.059 -20.663 -0.814 1.00 13.15 N ATOM 743 CA VAL A 47 4.723 -19.246 -0.745 1.00 40.55 C ATOM 744 C VAL A 47 3.524 -19.011 0.166 1.00 21.11 C ATOM 745 O VAL A 47 2.515 -19.711 0.076 1.00 40.40 O ATOM 746 CB VAL A 47 4.413 -18.674 -2.141 1.00 43.43 C ATOM 747 CG1 VAL A 47 3.982 -17.219 -2.038 1.00 73.12 C ATOM 748 CG2 VAL A 47 5.621 -18.818 -3.055 1.00 3.11 C ATOM 0 H VAL A 47 4.702 -21.141 -1.641 1.00 13.15 H new ATOM 0 HA VAL A 47 5.593 -18.733 -0.336 1.00 40.55 H new ATOM 0 HB VAL A 47 3.589 -19.242 -2.573 1.00 43.43 H new ATOM 0 HG11 VAL A 47 3.767 -16.832 -3.034 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.087 -17.148 -1.420 1.00 73.12 H new ATOM 0 HG13 VAL A 47 4.783 -16.633 -1.586 1.00 73.12 H new ATOM 0 HG21 VAL A 47 5.385 -18.409 -4.037 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.466 -18.276 -2.630 1.00 3.11 H new ATOM 0 HG23 VAL A 47 5.879 -19.872 -3.154 1.00 3.11 H new ATOM 758 N ASP A 48 3.640 -18.020 1.044 1.00 31.11 N ATOM 759 CA ASP A 48 2.565 -17.689 1.971 1.00 72.44 C ATOM 760 C ASP A 48 2.235 -16.201 1.912 1.00 70.23 C ATOM 761 O ASP A 48 2.994 -15.366 2.406 1.00 21.40 O ATOM 762 CB ASP A 48 2.955 -18.083 3.398 1.00 33.25 C ATOM 763 CG ASP A 48 2.285 -19.365 3.848 1.00 71.03 C ATOM 764 OD1 ASP A 48 2.682 -20.445 3.360 1.00 23.12 O ATOM 765 OD2 ASP A 48 1.364 -19.292 4.688 1.00 32.52 O1- ATOM 0 H ASP A 48 4.469 -17.432 1.133 1.00 31.11 H new ATOM 0 HA ASP A 48 1.678 -18.250 1.677 1.00 72.44 H new ATOM 0 HB2 ASP A 48 4.037 -18.202 3.456 1.00 33.25 H new ATOM 0 HB3 ASP A 48 2.686 -17.277 4.081 1.00 33.25 H new ATOM 770 N LEU A 49 1.099 -15.877 1.305 1.00 24.33 N ATOM 771 CA LEU A 49 0.667 -14.489 1.181 1.00 74.30 C ATOM 772 C LEU A 49 -0.464 -14.180 2.156 1.00 41.23 C ATOM 773 O LEU A 49 -1.299 -15.037 2.444 1.00 13.24 O ATOM 774 CB LEU A 49 0.214 -14.202 -0.252 1.00 25.14 C ATOM 775 CG LEU A 49 -0.466 -12.852 -0.483 1.00 4.23 C ATOM 776 CD1 LEU A 49 -0.123 -12.309 -1.861 1.00 52.13 C ATOM 777 CD2 LEU A 49 -1.974 -12.979 -0.318 1.00 21.20 C ATOM 0 H LEU A 49 0.460 -16.556 0.891 1.00 24.33 H new ATOM 0 HA LEU A 49 1.514 -13.848 1.423 1.00 74.30 H new ATOM 0 HB2 LEU A 49 1.084 -14.265 -0.906 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -0.474 -14.990 -0.559 1.00 25.14 H new ATOM 0 HG LEU A 49 -0.096 -12.149 0.264 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -0.616 -11.348 -2.006 1.00 52.13 H new ATOM 0 HD12 LEU A 49 0.956 -12.179 -1.943 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -0.463 -13.010 -2.623 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -2.441 -12.009 -0.486 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -2.360 -13.698 -1.041 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -2.202 -13.322 0.691 1.00 21.20 H new ATOM 789 N ASN A 50 -0.487 -12.949 2.657 1.00 2.14 N ATOM 790 CA ASN A 50 -1.519 -12.527 3.599 1.00 51.24 C ATOM 791 C ASN A 50 -2.335 -11.372 3.029 1.00 73.32 C ATOM 792 O ASN A 50 -1.890 -10.224 3.030 1.00 30.13 O ATOM 793 CB ASN A 50 -0.885 -12.112 4.929 1.00 23.52 C ATOM 794 CG ASN A 50 -0.268 -13.285 5.666 1.00 61.45 C ATOM 795 OD1 ASN A 50 0.092 -14.294 5.059 1.00 42.53 O ATOM 796 ND2 ASN A 50 -0.142 -13.156 6.982 1.00 44.50 N ATOM 0 H ASN A 50 0.196 -12.227 2.427 1.00 2.14 H new ATOM 0 HA ASN A 50 -2.188 -13.371 3.771 1.00 51.24 H new ATOM 0 HB2 ASN A 50 -0.119 -11.359 4.744 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.643 -11.648 5.560 1.00 23.52 H new ATOM 0 HD21 ASN A 50 0.267 -13.912 7.532 1.00 44.50 H new ATOM 0 HD22 ASN A 50 -0.454 -12.301 7.443 1.00 44.50 H new ATOM 803 N ARG A 51 -3.533 -11.683 2.544 1.00 0.13 N ATOM 804 CA ARG A 51 -4.412 -10.671 1.971 1.00 51.01 C ATOM 805 C ARG A 51 -4.926 -9.723 3.050 1.00 31.24 C ATOM 806 O ARG A 51 -5.504 -8.679 2.748 1.00 2.24 O ATOM 807 CB ARG A 51 -5.590 -11.335 1.256 1.00 21.12 C ATOM 808 CG ARG A 51 -6.375 -12.294 2.136 1.00 33.14 C ATOM 809 CD ARG A 51 -7.711 -12.659 1.508 1.00 3.53 C ATOM 810 NE ARG A 51 -8.766 -11.721 1.884 1.00 0.04 N ATOM 811 CZ ARG A 51 -9.268 -11.632 3.111 1.00 72.34 C ATOM 812 NH1 ARG A 51 -8.813 -12.420 4.075 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -10.227 -10.754 3.375 1.00 73.32 N ATOM 0 H ARG A 51 -3.917 -12.628 2.537 1.00 0.13 H new ATOM 0 HA ARG A 51 -3.837 -10.092 1.248 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.263 -10.561 0.887 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.218 -11.876 0.386 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -5.790 -13.199 2.302 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -6.543 -11.839 3.112 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -7.609 -12.675 0.423 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -7.994 -13.666 1.816 1.00 3.53 H new ATOM 0 HE ARG A 51 -9.138 -11.100 1.165 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -8.076 -13.096 3.876 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -9.200 -12.350 5.016 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -10.580 -10.146 2.636 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -10.612 -10.687 4.317 1.00 73.32 H new ATOM 827 N GLU A 52 -4.712 -10.096 4.308 1.00 34.15 N ATOM 828 CA GLU A 52 -5.156 -9.278 5.431 1.00 24.22 C ATOM 829 C GLU A 52 -4.279 -8.039 5.583 1.00 0.20 C ATOM 830 O GLU A 52 -4.753 -6.971 5.973 1.00 22.35 O ATOM 831 CB GLU A 52 -5.132 -10.095 6.725 1.00 52.12 C ATOM 832 CG GLU A 52 -3.780 -10.719 7.027 1.00 75.31 C ATOM 833 CD GLU A 52 -3.853 -12.226 7.174 1.00 73.42 C ATOM 834 OE1 GLU A 52 -4.537 -12.871 6.352 1.00 11.41 O ATOM 835 OE2 GLU A 52 -3.224 -12.761 8.111 1.00 52.33 O1- ATOM 0 H GLU A 52 -4.235 -10.957 4.575 1.00 34.15 H new ATOM 0 HA GLU A 52 -6.178 -8.955 5.231 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -5.419 -9.451 7.556 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -5.881 -10.885 6.660 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -3.082 -10.469 6.228 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -3.382 -10.287 7.945 1.00 75.31 H new ATOM 842 N THR A 53 -2.995 -8.188 5.271 1.00 23.40 N ATOM 843 CA THR A 53 -2.050 -7.083 5.374 1.00 34.31 C ATOM 844 C THR A 53 -1.301 -6.876 4.062 1.00 54.44 C ATOM 845 O THR A 53 -0.293 -6.173 4.016 1.00 31.00 O ATOM 846 CB THR A 53 -1.030 -7.320 6.502 1.00 73.11 C ATOM 847 OG1 THR A 53 -0.249 -8.486 6.220 1.00 13.41 O ATOM 848 CG2 THR A 53 -1.731 -7.485 7.841 1.00 32.42 C ATOM 0 H THR A 53 -2.586 -9.064 4.945 1.00 23.40 H new ATOM 0 HA THR A 53 -2.632 -6.190 5.602 1.00 34.31 H new ATOM 0 HB THR A 53 -0.376 -6.450 6.558 1.00 73.11 H new ATOM 0 HG1 THR A 53 0.398 -8.628 6.942 1.00 13.41 H new ATOM 0 HG21 THR A 53 -0.989 -7.651 8.622 1.00 32.42 H new ATOM 0 HG22 THR A 53 -2.300 -6.583 8.067 1.00 32.42 H new ATOM 0 HG23 THR A 53 -2.407 -8.339 7.795 1.00 32.42 H new ATOM 856 N GLY A 54 -1.804 -7.493 2.996 1.00 23.41 N ATOM 857 CA GLY A 54 -1.169 -7.362 1.697 1.00 44.31 C ATOM 858 C GLY A 54 0.307 -7.706 1.735 1.00 5.13 C ATOM 859 O GLY A 54 1.091 -7.195 0.935 1.00 74.51 O ATOM 0 H GLY A 54 -2.638 -8.080 3.009 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.672 -8.014 0.983 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.292 -6.340 1.338 1.00 44.31 H new ATOM 863 N SER A 55 0.687 -8.572 2.669 1.00 33.40 N ATOM 864 CA SER A 55 2.080 -8.980 2.812 1.00 75.11 C ATOM 865 C SER A 55 2.338 -10.298 2.089 1.00 63.23 C ATOM 866 O SER A 55 1.403 -10.988 1.682 1.00 45.55 O ATOM 867 CB SER A 55 2.443 -9.117 4.292 1.00 55.25 C ATOM 868 OG SER A 55 3.437 -8.177 4.663 1.00 71.01 O ATOM 0 H SER A 55 0.050 -9.005 3.338 1.00 33.40 H new ATOM 0 HA SER A 55 2.706 -8.211 2.361 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.553 -8.970 4.903 1.00 55.25 H new ATOM 0 HB3 SER A 55 2.802 -10.127 4.490 1.00 55.25 H new ATOM 0 HG SER A 55 3.650 -8.284 5.614 1.00 71.01 H new ATOM 874 N ILE A 56 3.612 -10.640 1.934 1.00 3.53 N ATOM 875 CA ILE A 56 3.994 -11.875 1.260 1.00 74.13 C ATOM 876 C ILE A 56 5.315 -12.411 1.803 1.00 0.40 C ATOM 877 O ILE A 56 6.237 -11.647 2.087 1.00 42.33 O ATOM 878 CB ILE A 56 4.122 -11.672 -0.261 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.307 -12.731 -1.008 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.582 -11.724 -0.682 1.00 41.12 C ATOM 881 CD1 ILE A 56 3.659 -14.149 -0.619 1.00 3.04 C ATOM 0 H ILE A 56 4.397 -10.080 2.266 1.00 3.53 H new ATOM 0 HA ILE A 56 3.202 -12.598 1.455 1.00 74.13 H new ATOM 0 HB ILE A 56 3.727 -10.689 -0.517 1.00 73.52 H new ATOM 0 HG12 ILE A 56 2.247 -12.563 -0.818 1.00 3.03 H new ATOM 0 HG13 ILE A 56 3.462 -12.608 -2.080 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.655 -11.579 -1.760 1.00 41.12 H new ATOM 0 HG22 ILE A 56 6.136 -10.937 -0.171 1.00 41.12 H new ATOM 0 HG23 ILE A 56 6.003 -12.694 -0.417 1.00 41.12 H new ATOM 0 HD11 ILE A 56 3.043 -14.846 -1.187 1.00 3.04 H new ATOM 0 HD12 ILE A 56 4.711 -14.335 -0.835 1.00 3.04 H new ATOM 0 HD13 ILE A 56 3.477 -14.290 0.446 1.00 3.04 H new ATOM 893 N ARG A 57 5.400 -13.731 1.942 1.00 32.14 N ATOM 894 CA ARG A 57 6.608 -14.369 2.450 1.00 64.45 C ATOM 895 C ARG A 57 6.765 -15.772 1.872 1.00 32.01 C ATOM 896 O ARG A 57 5.816 -16.557 1.852 1.00 32.22 O ATOM 897 CB ARG A 57 6.572 -14.436 3.978 1.00 61.04 C ATOM 898 CG ARG A 57 6.662 -13.076 4.650 1.00 70.51 C ATOM 899 CD ARG A 57 8.027 -12.439 4.437 1.00 15.33 C ATOM 900 NE ARG A 57 8.267 -11.336 5.364 1.00 71.31 N ATOM 901 CZ ARG A 57 7.741 -10.125 5.216 1.00 72.11 C ATOM 902 NH1 ARG A 57 6.949 -9.864 4.185 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 8.006 -9.173 6.102 1.00 34.43 N ATOM 0 H ARG A 57 4.647 -14.378 1.710 1.00 32.14 H new ATOM 0 HA ARG A 57 7.464 -13.769 2.140 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.649 -14.926 4.290 1.00 61.04 H new ATOM 0 HB3 ARG A 57 7.396 -15.059 4.325 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.887 -12.420 4.252 1.00 70.51 H new ATOM 0 HG3 ARG A 57 6.472 -13.183 5.718 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.803 -13.194 4.563 1.00 15.33 H new ATOM 0 HD3 ARG A 57 8.101 -12.074 3.413 1.00 15.33 H new ATOM 0 HE ARG A 57 8.871 -11.505 6.168 1.00 71.31 H new ATOM 0 HH11 ARG A 57 6.742 -10.594 3.503 1.00 34.40 H new ATOM 0 HH12 ARG A 57 6.547 -8.933 4.074 1.00 34.40 H new ATOM 0 HH21 ARG A 57 8.614 -9.371 6.897 1.00 34.43 H new ATOM 0 HH22 ARG A 57 7.602 -8.243 5.988 1.00 34.43 H new ATOM 917 N VAL A 58 7.969 -16.082 1.402 1.00 42.34 N ATOM 918 CA VAL A 58 8.252 -17.391 0.824 1.00 43.54 C ATOM 919 C VAL A 58 9.302 -18.137 1.639 1.00 10.15 C ATOM 920 O VAL A 58 10.427 -17.664 1.803 1.00 73.04 O ATOM 921 CB VAL A 58 8.738 -17.268 -0.632 1.00 23.50 C ATOM 922 CG1 VAL A 58 8.724 -18.627 -1.316 1.00 55.51 C ATOM 923 CG2 VAL A 58 7.885 -16.267 -1.396 1.00 4.35 C ATOM 0 H VAL A 58 8.765 -15.444 1.410 1.00 42.34 H new ATOM 0 HA VAL A 58 7.318 -17.953 0.841 1.00 43.54 H new ATOM 0 HB VAL A 58 9.765 -16.903 -0.625 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.070 -18.521 -2.344 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.382 -19.311 -0.780 1.00 55.51 H new ATOM 0 HG13 VAL A 58 7.709 -19.025 -1.315 1.00 55.51 H new ATOM 0 HG21 VAL A 58 8.243 -16.193 -2.423 1.00 4.35 H new ATOM 0 HG22 VAL A 58 6.847 -16.599 -1.397 1.00 4.35 H new ATOM 0 HG23 VAL A 58 7.953 -15.290 -0.917 1.00 4.35 H new ATOM 933 N PHE A 59 8.927 -19.305 2.149 1.00 1.31 N ATOM 934 CA PHE A 59 9.836 -20.118 2.949 1.00 44.44 C ATOM 935 C PHE A 59 10.089 -21.466 2.281 1.00 1.24 C ATOM 936 O PHE A 59 9.299 -21.920 1.455 1.00 3.23 O ATOM 937 CB PHE A 59 9.265 -20.329 4.352 1.00 43.13 C ATOM 938 CG PHE A 59 8.805 -19.060 5.010 1.00 34.01 C ATOM 939 CD1 PHE A 59 7.534 -18.562 4.770 1.00 45.01 C ATOM 940 CD2 PHE A 59 9.641 -18.365 5.867 1.00 52.45 C ATOM 941 CE1 PHE A 59 7.108 -17.393 5.373 1.00 52.11 C ATOM 942 CE2 PHE A 59 9.222 -17.195 6.473 1.00 33.32 C ATOM 943 CZ PHE A 59 7.952 -16.710 6.226 1.00 33.22 C ATOM 0 H PHE A 59 8.000 -19.710 2.023 1.00 1.31 H new ATOM 0 HA PHE A 59 10.785 -19.588 3.028 1.00 44.44 H new ATOM 0 HB2 PHE A 59 8.426 -21.023 4.294 1.00 43.13 H new ATOM 0 HB3 PHE A 59 10.024 -20.798 4.978 1.00 43.13 H new ATOM 0 HD1 PHE A 59 6.869 -19.093 4.105 1.00 45.01 H new ATOM 0 HD2 PHE A 59 10.634 -18.742 6.065 1.00 52.45 H new ATOM 0 HE1 PHE A 59 6.116 -17.014 5.177 1.00 52.11 H new ATOM 0 HE2 PHE A 59 9.886 -16.662 7.138 1.00 33.32 H new ATOM 0 HZ PHE A 59 7.620 -15.798 6.700 1.00 33.22 H new ATOM 953 N ALA A 60 11.198 -22.102 2.647 1.00 64.33 N ATOM 954 CA ALA A 60 11.555 -23.399 2.086 1.00 61.55 C ATOM 955 C ALA A 60 11.328 -24.517 3.099 1.00 45.11 C ATOM 956 O ALA A 60 11.864 -24.481 4.207 1.00 31.21 O ATOM 957 CB ALA A 60 13.004 -23.392 1.621 1.00 21.41 C ATOM 0 H ALA A 60 11.864 -21.740 3.329 1.00 64.33 H new ATOM 0 HA ALA A 60 10.910 -23.586 1.227 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.257 -24.367 1.204 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.137 -22.625 0.858 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.657 -23.179 2.467 1.00 21.41 H new ATOM 963 N ARG A 61 10.530 -25.506 2.712 1.00 41.23 N ATOM 964 CA ARG A 61 10.231 -26.633 3.587 1.00 72.14 C ATOM 965 C ARG A 61 11.361 -27.659 3.558 1.00 20.13 C ATOM 966 O ARG A 61 11.673 -28.226 2.510 1.00 1.01 O ATOM 967 CB ARG A 61 8.917 -27.295 3.171 1.00 64.24 C ATOM 968 CG ARG A 61 8.077 -27.771 4.345 1.00 32.03 C ATOM 969 CD ARG A 61 6.625 -27.981 3.943 1.00 70.43 C ATOM 970 NE ARG A 61 6.468 -29.107 3.028 1.00 4.21 N ATOM 971 CZ ARG A 61 5.347 -29.362 2.361 1.00 31.53 C ATOM 972 NH1 ARG A 61 4.291 -28.573 2.507 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 5.282 -30.407 1.546 1.00 24.30 N ATOM 0 H ARG A 61 10.079 -25.550 1.798 1.00 41.23 H new ATOM 0 HA ARG A 61 10.133 -26.254 4.604 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.334 -26.587 2.581 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.137 -28.144 2.524 1.00 64.24 H new ATOM 0 HG2 ARG A 61 8.487 -28.704 4.732 1.00 32.03 H new ATOM 0 HG3 ARG A 61 8.130 -27.040 5.152 1.00 32.03 H new ATOM 0 HD2 ARG A 61 6.023 -28.152 4.835 1.00 70.43 H new ATOM 0 HD3 ARG A 61 6.245 -27.075 3.471 1.00 70.43 H new ATOM 0 HE ARG A 61 7.262 -29.733 2.893 1.00 4.21 H new ATOM 0 HH11 ARG A 61 4.338 -27.768 3.132 1.00 71.04 H new ATOM 0 HH12 ARG A 61 3.432 -28.771 1.994 1.00 71.04 H new ATOM 0 HH21 ARG A 61 6.093 -31.015 1.431 1.00 24.30 H new ATOM 0 HH22 ARG A 61 4.421 -30.602 1.034 1.00 24.30 H new ATOM 987 N LYS A 62 11.970 -27.893 4.715 1.00 10.33 N ATOM 988 CA LYS A 62 13.065 -28.851 4.824 1.00 21.43 C ATOM 989 C LYS A 62 12.686 -30.007 5.745 1.00 75.40 C ATOM 990 O LYS A 62 12.105 -29.798 6.811 1.00 2.42 O ATOM 991 CB LYS A 62 14.325 -28.159 5.347 1.00 43.22 C ATOM 992 CG LYS A 62 15.118 -27.441 4.269 1.00 41.54 C ATOM 993 CD LYS A 62 15.996 -26.349 4.854 1.00 43.23 C ATOM 994 CE LYS A 62 17.192 -26.055 3.961 1.00 43.44 C ATOM 995 NZ LYS A 62 18.213 -25.225 4.657 1.00 24.24 N1+ ATOM 0 H LYS A 62 11.724 -27.432 5.591 1.00 10.33 H new ATOM 0 HA LYS A 62 13.265 -29.252 3.830 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.042 -27.441 6.117 1.00 43.22 H new ATOM 0 HB3 LYS A 62 14.965 -28.901 5.824 1.00 43.22 H new ATOM 0 HG2 LYS A 62 15.738 -28.160 3.734 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.433 -27.007 3.541 1.00 41.54 H new ATOM 0 HD2 LYS A 62 15.408 -25.441 4.987 1.00 43.23 H new ATOM 0 HD3 LYS A 62 16.344 -26.651 5.842 1.00 43.23 H new ATOM 0 HE2 LYS A 62 17.644 -26.993 3.639 1.00 43.44 H new ATOM 0 HE3 LYS A 62 16.856 -25.539 3.062 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 19.012 -25.047 4.015 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 17.789 -24.319 4.942 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 18.553 -25.728 5.501 1.00 24.24 H new ATOM 1009 N ASP A 63 13.021 -31.222 5.329 1.00 23.54 N ATOM 1010 CA ASP A 63 12.719 -32.411 6.117 1.00 42.41 C ATOM 1011 C ASP A 63 13.708 -32.565 7.269 1.00 73.33 C ATOM 1012 O ASP A 63 14.892 -32.825 7.054 1.00 62.32 O ATOM 1013 CB ASP A 63 12.750 -33.658 5.232 1.00 73.01 C ATOM 1014 CG ASP A 63 11.405 -34.355 5.168 1.00 64.14 C ATOM 1015 OD1 ASP A 63 10.372 -33.661 5.266 1.00 60.22 O1- ATOM 1016 OD2 ASP A 63 11.387 -35.595 5.021 1.00 40.11 O ATOM 0 H ASP A 63 13.502 -31.410 4.450 1.00 23.54 H new ATOM 0 HA ASP A 63 11.718 -32.296 6.533 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.059 -33.378 4.225 1.00 73.01 H new ATOM 0 HB3 ASP A 63 13.498 -34.353 5.614 1.00 73.01 H new ATOM 1021 N VAL A 64 13.214 -32.401 8.493 1.00 22.25 N ATOM 1022 CA VAL A 64 14.054 -32.521 9.678 1.00 63.30 C ATOM 1023 C VAL A 64 14.444 -33.973 9.930 1.00 51.12 C ATOM 1024 O VAL A 64 13.594 -34.815 10.220 1.00 75.14 O ATOM 1025 CB VAL A 64 13.343 -31.968 10.928 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.228 -32.119 12.156 1.00 52.52 C ATOM 1027 CG2 VAL A 64 12.952 -30.513 10.717 1.00 14.04 C ATOM 0 H VAL A 64 12.237 -32.185 8.689 1.00 22.25 H new ATOM 0 HA VAL A 64 14.953 -31.933 9.490 1.00 63.30 H new ATOM 0 HB VAL A 64 12.433 -32.545 11.093 1.00 43.02 H new ATOM 0 HG11 VAL A 64 13.709 -31.723 13.029 1.00 52.52 H new ATOM 0 HG12 VAL A 64 14.453 -33.174 12.315 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.157 -31.569 12.005 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.451 -30.138 11.609 1.00 14.04 H new ATOM 0 HG22 VAL A 64 13.846 -29.920 10.527 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.278 -30.437 9.864 1.00 14.04 H new ATOM 1037 N VAL A 65 15.738 -34.261 9.818 1.00 11.54 N ATOM 1038 CA VAL A 65 16.242 -35.611 10.036 1.00 13.21 C ATOM 1039 C VAL A 65 17.586 -35.587 10.755 1.00 31.21 C ATOM 1040 O VAL A 65 18.288 -34.576 10.746 1.00 25.11 O ATOM 1041 CB VAL A 65 16.397 -36.373 8.706 1.00 54.34 C ATOM 1042 CG1 VAL A 65 15.050 -36.527 8.018 1.00 54.12 C ATOM 1043 CG2 VAL A 65 17.391 -35.663 7.798 1.00 31.51 C ATOM 0 H VAL A 65 16.455 -33.577 9.578 1.00 11.54 H new ATOM 0 HA VAL A 65 15.510 -36.126 10.658 1.00 13.21 H new ATOM 0 HB VAL A 65 16.783 -37.369 8.921 1.00 54.34 H new ATOM 0 HG11 VAL A 65 15.180 -37.068 7.080 1.00 54.12 H new ATOM 0 HG12 VAL A 65 14.372 -37.082 8.666 1.00 54.12 H new ATOM 0 HG13 VAL A 65 14.631 -35.542 7.814 1.00 54.12 H new ATOM 0 HG21 VAL A 65 17.488 -36.215 6.863 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.036 -34.654 7.589 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.362 -35.611 8.291 1.00 31.51 H new ATOM 1053 N ASP A 66 17.938 -36.707 11.376 1.00 62.52 N ATOM 1054 CA ASP A 66 19.199 -36.815 12.100 1.00 23.33 C ATOM 1055 C ASP A 66 20.384 -36.627 11.158 1.00 21.04 C ATOM 1056 O ASP A 66 21.393 -36.027 11.527 1.00 0.24 O ATOM 1057 CB ASP A 66 19.297 -38.173 12.798 1.00 11.32 C ATOM 1058 CG ASP A 66 18.682 -38.158 14.183 1.00 10.50 C ATOM 1059 OD1 ASP A 66 18.930 -37.190 14.933 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 17.950 -39.113 14.518 1.00 32.13 O ATOM 0 H ASP A 66 17.368 -37.553 11.393 1.00 62.52 H new ATOM 0 HA ASP A 66 19.226 -36.026 12.852 1.00 23.33 H new ATOM 0 HB2 ASP A 66 18.798 -38.927 12.190 1.00 11.32 H new ATOM 0 HB3 ASP A 66 20.344 -38.465 12.872 1.00 11.32 H new ATOM 1065 N GLU A 67 20.254 -37.146 9.941 1.00 15.03 N ATOM 1066 CA GLU A 67 21.316 -37.036 8.947 1.00 31.11 C ATOM 1067 C GLU A 67 20.739 -36.742 7.565 1.00 50.23 C ATOM 1068 O GLU A 67 19.707 -37.294 7.181 1.00 63.43 O ATOM 1069 CB GLU A 67 22.139 -38.325 8.904 1.00 55.42 C ATOM 1070 CG GLU A 67 22.549 -38.832 10.277 1.00 72.25 C ATOM 1071 CD GLU A 67 23.328 -40.131 10.212 1.00 31.21 C ATOM 1072 OE1 GLU A 67 23.096 -40.916 9.269 1.00 71.05 O ATOM 1073 OE2 GLU A 67 24.170 -40.362 11.104 1.00 25.33 O1- ATOM 0 H GLU A 67 19.425 -37.646 9.620 1.00 15.03 H new ATOM 0 HA GLU A 67 21.964 -36.208 9.235 1.00 31.11 H new ATOM 0 HB2 GLU A 67 21.561 -39.098 8.398 1.00 55.42 H new ATOM 0 HB3 GLU A 67 23.035 -38.154 8.307 1.00 55.42 H new ATOM 0 HG2 GLU A 67 23.155 -38.074 10.774 1.00 72.25 H new ATOM 0 HG3 GLU A 67 21.658 -38.978 10.887 1.00 72.25 H new ATOM 1080 N VAL A 68 21.412 -35.869 6.823 1.00 15.43 N ATOM 1081 CA VAL A 68 20.968 -35.502 5.484 1.00 65.11 C ATOM 1082 C VAL A 68 20.737 -36.738 4.623 1.00 4.00 C ATOM 1083 O VAL A 68 21.676 -37.458 4.286 1.00 42.11 O ATOM 1084 CB VAL A 68 21.991 -34.587 4.784 1.00 61.52 C ATOM 1085 CG1 VAL A 68 21.537 -34.261 3.370 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.208 -33.316 5.591 1.00 63.52 C ATOM 0 H VAL A 68 22.267 -35.403 7.127 1.00 15.43 H new ATOM 0 HA VAL A 68 20.028 -34.962 5.600 1.00 65.11 H new ATOM 0 HB VAL A 68 22.942 -35.116 4.720 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.272 -33.614 2.892 1.00 71.34 H new ATOM 0 HG12 VAL A 68 21.439 -35.183 2.798 1.00 71.34 H new ATOM 0 HG13 VAL A 68 20.574 -33.752 3.405 1.00 71.34 H new ATOM 0 HG21 VAL A 68 22.933 -32.681 5.082 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.263 -32.781 5.689 1.00 63.52 H new ATOM 0 HG23 VAL A 68 22.583 -33.574 6.582 1.00 63.52 H new ATOM 1096 N TYR A 69 19.478 -36.979 4.269 1.00 32.10 N ATOM 1097 CA TYR A 69 19.122 -38.130 3.449 1.00 32.14 C ATOM 1098 C TYR A 69 18.554 -37.686 2.104 1.00 61.22 C ATOM 1099 O TYR A 69 18.564 -38.443 1.134 1.00 10.20 O ATOM 1100 CB TYR A 69 18.104 -39.007 4.180 1.00 62.24 C ATOM 1101 CG TYR A 69 18.710 -40.242 4.808 1.00 44.51 C ATOM 1102 CD1 TYR A 69 19.803 -40.147 5.660 1.00 23.33 C ATOM 1103 CD2 TYR A 69 18.187 -41.504 4.551 1.00 73.44 C ATOM 1104 CE1 TYR A 69 20.360 -41.272 6.236 1.00 60.10 C ATOM 1105 CE2 TYR A 69 18.737 -42.634 5.124 1.00 1.01 C ATOM 1106 CZ TYR A 69 19.823 -42.514 5.965 1.00 34.24 C ATOM 1107 OH TYR A 69 20.374 -43.637 6.537 1.00 60.13 O ATOM 0 H TYR A 69 18.688 -36.392 4.538 1.00 32.10 H new ATOM 0 HA TYR A 69 20.027 -38.709 3.267 1.00 32.14 H new ATOM 0 HB2 TYR A 69 17.618 -38.416 4.956 1.00 62.24 H new ATOM 0 HB3 TYR A 69 17.327 -39.310 3.478 1.00 62.24 H new ATOM 0 HD1 TYR A 69 20.225 -39.176 5.876 1.00 23.33 H new ATOM 0 HD2 TYR A 69 17.337 -41.603 3.892 1.00 73.44 H new ATOM 0 HE1 TYR A 69 21.211 -41.180 6.895 1.00 60.10 H new ATOM 0 HE2 TYR A 69 18.318 -43.607 4.914 1.00 1.01 H new ATOM 0 HH TYR A 69 19.878 -44.430 6.245 1.00 60.13 H new ATOM 1117 N ASP A 70 18.062 -36.452 2.056 1.00 20.02 N ATOM 1118 CA ASP A 70 17.492 -35.905 0.831 1.00 33.31 C ATOM 1119 C ASP A 70 18.368 -34.785 0.277 1.00 24.14 C ATOM 1120 O ASP A 70 18.234 -33.628 0.673 1.00 24.10 O ATOM 1121 CB ASP A 70 16.078 -35.383 1.089 1.00 13.03 C ATOM 1122 CG ASP A 70 15.076 -36.502 1.294 1.00 63.42 C ATOM 1123 OD1 ASP A 70 15.481 -37.682 1.221 1.00 60.34 O ATOM 1124 OD2 ASP A 70 13.888 -36.198 1.527 1.00 62.25 O1- ATOM 0 H ASP A 70 18.047 -35.813 2.851 1.00 20.02 H new ATOM 0 HA ASP A 70 17.446 -36.705 0.092 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.086 -34.741 1.970 1.00 13.03 H new ATOM 0 HB3 ASP A 70 15.762 -34.766 0.247 1.00 13.03 H new ATOM 1129 N GLN A 71 19.264 -35.139 -0.639 1.00 45.13 N ATOM 1130 CA GLN A 71 20.163 -34.163 -1.244 1.00 73.34 C ATOM 1131 C GLN A 71 19.379 -33.003 -1.849 1.00 44.25 C ATOM 1132 O GLN A 71 19.881 -31.882 -1.940 1.00 55.10 O ATOM 1133 CB GLN A 71 21.021 -34.829 -2.322 1.00 71.25 C ATOM 1134 CG GLN A 71 22.377 -34.169 -2.512 1.00 52.44 C ATOM 1135 CD GLN A 71 23.273 -34.315 -1.298 1.00 44.52 C ATOM 1136 OE1 GLN A 71 23.739 -33.324 -0.733 1.00 34.54 O ATOM 1137 NE2 GLN A 71 23.521 -35.553 -0.889 1.00 51.40 N ATOM 0 H GLN A 71 19.387 -36.093 -0.978 1.00 45.13 H new ATOM 0 HA GLN A 71 20.813 -33.771 -0.462 1.00 73.34 H new ATOM 0 HB2 GLN A 71 21.169 -35.877 -2.061 1.00 71.25 H new ATOM 0 HB3 GLN A 71 20.481 -34.810 -3.268 1.00 71.25 H new ATOM 0 HG2 GLN A 71 22.872 -34.607 -3.379 1.00 52.44 H new ATOM 0 HG3 GLN A 71 22.234 -33.110 -2.728 1.00 52.44 H new ATOM 0 HE21 GLN A 71 23.115 -36.345 -1.386 1.00 51.40 H new ATOM 0 HE22 GLN A 71 24.118 -35.712 -0.077 1.00 51.40 H new ATOM 1146 N ARG A 72 18.145 -33.279 -2.260 1.00 4.45 N ATOM 1147 CA ARG A 72 17.293 -32.257 -2.858 1.00 31.14 C ATOM 1148 C ARG A 72 16.879 -31.219 -1.819 1.00 3.13 C ATOM 1149 O ARG A 72 16.887 -30.017 -2.089 1.00 25.45 O ATOM 1150 CB ARG A 72 16.050 -32.899 -3.476 1.00 14.31 C ATOM 1151 CG ARG A 72 15.233 -33.719 -2.491 1.00 43.23 C ATOM 1152 CD ARG A 72 14.094 -34.450 -3.183 1.00 44.31 C ATOM 1153 NE ARG A 72 13.598 -35.570 -2.388 1.00 31.03 N ATOM 1154 CZ ARG A 72 14.221 -36.741 -2.299 1.00 1.35 C ATOM 1155 NH1 ARG A 72 15.357 -36.941 -2.952 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 13.708 -37.712 -1.555 1.00 72.31 N ATOM 0 H ARG A 72 17.713 -34.201 -2.190 1.00 4.45 H new ATOM 0 HA ARG A 72 17.863 -31.756 -3.640 1.00 31.14 H new ATOM 0 HB2 ARG A 72 15.418 -32.116 -3.896 1.00 14.31 H new ATOM 0 HB3 ARG A 72 16.356 -33.540 -4.303 1.00 14.31 H new ATOM 0 HG2 ARG A 72 15.880 -34.441 -1.993 1.00 43.23 H new ATOM 0 HG3 ARG A 72 14.830 -33.065 -1.718 1.00 43.23 H new ATOM 0 HD2 ARG A 72 13.279 -33.752 -3.374 1.00 44.31 H new ATOM 0 HD3 ARG A 72 14.434 -34.816 -4.152 1.00 44.31 H new ATOM 0 HE ARG A 72 12.726 -35.447 -1.873 1.00 31.03 H new ATOM 0 HH11 ARG A 72 15.755 -36.196 -3.524 1.00 20.14 H new ATOM 0 HH12 ARG A 72 15.834 -37.840 -2.883 1.00 20.14 H new ATOM 0 HH21 ARG A 72 12.835 -37.561 -1.050 1.00 72.31 H new ATOM 0 HH22 ARG A 72 14.187 -38.610 -1.488 1.00 72.31 H new ATOM 1170 N LEU A 73 16.518 -31.690 -0.631 1.00 3.20 N ATOM 1171 CA LEU A 73 16.101 -30.802 0.449 1.00 51.45 C ATOM 1172 C LEU A 73 16.047 -31.550 1.778 1.00 42.22 C ATOM 1173 O LEU A 73 15.319 -32.531 1.920 1.00 32.31 O ATOM 1174 CB LEU A 73 14.731 -30.196 0.137 1.00 24.54 C ATOM 1175 CG LEU A 73 13.559 -31.176 0.084 1.00 44.12 C ATOM 1176 CD1 LEU A 73 12.732 -31.088 1.357 1.00 70.54 C ATOM 1177 CD2 LEU A 73 12.692 -30.905 -1.137 1.00 14.14 C ATOM 0 H LEU A 73 16.505 -32.681 -0.391 1.00 3.20 H new ATOM 0 HA LEU A 73 16.836 -30.001 0.532 1.00 51.45 H new ATOM 0 HB2 LEU A 73 14.511 -29.439 0.890 1.00 24.54 H new ATOM 0 HB3 LEU A 73 14.793 -29.683 -0.823 1.00 24.54 H new ATOM 0 HG LEU A 73 13.959 -32.187 0.004 1.00 44.12 H new ATOM 0 HD11 LEU A 73 11.902 -31.793 1.301 1.00 70.54 H new ATOM 0 HD12 LEU A 73 13.358 -31.332 2.215 1.00 70.54 H new ATOM 0 HD13 LEU A 73 12.342 -30.076 1.468 1.00 70.54 H new ATOM 0 HD21 LEU A 73 11.863 -31.612 -1.159 1.00 14.14 H new ATOM 0 HD22 LEU A 73 12.301 -29.889 -1.087 1.00 14.14 H new ATOM 0 HD23 LEU A 73 13.290 -31.020 -2.041 1.00 14.14 H new ATOM 1189 N GLU A 74 16.822 -31.076 2.749 1.00 52.14 N ATOM 1190 CA GLU A 74 16.861 -31.699 4.067 1.00 53.33 C ATOM 1191 C GLU A 74 17.478 -30.757 5.096 1.00 31.14 C ATOM 1192 O GLU A 74 18.237 -29.852 4.748 1.00 54.40 O ATOM 1193 CB GLU A 74 17.654 -33.006 4.014 1.00 34.50 C ATOM 1194 CG GLU A 74 17.222 -34.024 5.056 1.00 5.55 C ATOM 1195 CD GLU A 74 16.303 -35.087 4.486 1.00 50.11 C ATOM 1196 OE1 GLU A 74 15.174 -34.743 4.083 1.00 53.23 O ATOM 1197 OE2 GLU A 74 16.717 -36.266 4.444 1.00 54.12 O1- ATOM 0 H GLU A 74 17.430 -30.264 2.648 1.00 52.14 H new ATOM 0 HA GLU A 74 15.836 -31.917 4.369 1.00 53.33 H new ATOM 0 HB2 GLU A 74 17.547 -33.446 3.023 1.00 34.50 H new ATOM 0 HB3 GLU A 74 18.712 -32.785 4.152 1.00 34.50 H new ATOM 0 HG2 GLU A 74 18.105 -34.502 5.480 1.00 5.55 H new ATOM 0 HG3 GLU A 74 16.715 -33.510 5.872 1.00 5.55 H new ATOM 1204 N ILE A 75 17.147 -30.976 6.364 1.00 62.14 N ATOM 1205 CA ILE A 75 17.669 -30.147 7.443 1.00 30.31 C ATOM 1206 C ILE A 75 18.034 -30.994 8.659 1.00 75.04 C ATOM 1207 O ILE A 75 17.215 -31.767 9.158 1.00 14.04 O ATOM 1208 CB ILE A 75 16.654 -29.070 7.868 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.205 -28.252 9.037 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.327 -29.712 8.242 1.00 62.41 C ATOM 1211 CD1 ILE A 75 17.109 -26.757 8.828 1.00 31.35 C ATOM 0 H ILE A 75 16.520 -31.720 6.669 1.00 62.14 H new ATOM 0 HA ILE A 75 18.565 -29.658 7.060 1.00 30.31 H new ATOM 0 HB ILE A 75 16.486 -28.398 7.027 1.00 50.21 H new ATOM 0 HG12 ILE A 75 16.663 -28.519 9.944 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.249 -28.522 9.198 1.00 4.55 H new ATOM 0 HG21 ILE A 75 14.620 -28.938 8.540 1.00 62.41 H new ATOM 0 HG22 ILE A 75 14.931 -30.255 7.384 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.478 -30.404 9.070 1.00 62.41 H new ATOM 0 HD11 ILE A 75 17.518 -26.241 9.697 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.675 -26.477 7.940 1.00 31.35 H new ATOM 0 HD13 ILE A 75 16.064 -26.474 8.697 1.00 31.35 H new ATOM 1223 N SER A 76 19.265 -30.840 9.133 1.00 72.03 N ATOM 1224 CA SER A 76 19.739 -31.593 10.289 1.00 2.32 C ATOM 1225 C SER A 76 18.950 -31.218 11.541 1.00 11.44 C ATOM 1226 O SER A 76 18.657 -30.045 11.775 1.00 13.53 O ATOM 1227 CB SER A 76 21.230 -31.334 10.516 1.00 63.42 C ATOM 1228 OG SER A 76 21.989 -32.514 10.318 1.00 63.00 O ATOM 0 H SER A 76 19.953 -30.201 8.735 1.00 72.03 H new ATOM 0 HA SER A 76 19.588 -32.654 10.089 1.00 2.32 H new ATOM 0 HB2 SER A 76 21.575 -30.557 9.834 1.00 63.42 H new ATOM 0 HB3 SER A 76 21.388 -30.962 11.528 1.00 63.42 H new ATOM 0 HG SER A 76 22.938 -32.321 10.467 1.00 63.00 H new ATOM 1234 N ILE A 77 18.609 -32.224 12.339 1.00 32.21 N ATOM 1235 CA ILE A 77 17.855 -32.001 13.567 1.00 42.24 C ATOM 1236 C ILE A 77 18.503 -30.917 14.422 1.00 3.30 C ATOM 1237 O ILE A 77 17.815 -30.120 15.056 1.00 62.34 O ATOM 1238 CB ILE A 77 17.738 -33.292 14.398 1.00 2.05 C ATOM 1239 CG1 ILE A 77 16.915 -33.039 15.662 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.120 -33.819 14.756 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.474 -32.671 15.381 1.00 2.10 C ATOM 0 H ILE A 77 18.842 -33.200 12.158 1.00 32.21 H new ATOM 0 HA ILE A 77 16.857 -31.678 13.270 1.00 42.24 H new ATOM 0 HB ILE A 77 17.227 -34.046 13.799 1.00 2.05 H new ATOM 0 HG12 ILE A 77 16.938 -33.932 16.286 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.381 -32.238 16.235 1.00 61.14 H new ATOM 0 HG21 ILE A 77 19.020 -34.732 15.343 1.00 44.33 H new ATOM 0 HG22 ILE A 77 19.675 -34.034 13.843 1.00 44.33 H new ATOM 0 HG23 ILE A 77 19.656 -33.069 15.338 1.00 44.33 H new ATOM 0 HD11 ILE A 77 14.950 -32.506 16.323 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.441 -31.760 14.783 1.00 2.10 H new ATOM 0 HD13 ILE A 77 14.991 -33.481 14.835 1.00 2.10 H new ATOM 1253 N GLU A 78 19.832 -30.894 14.430 1.00 30.11 N ATOM 1254 CA GLU A 78 20.573 -29.907 15.207 1.00 0.34 C ATOM 1255 C GLU A 78 20.475 -28.525 14.565 1.00 42.21 C ATOM 1256 O GLU A 78 20.468 -27.508 15.258 1.00 45.21 O ATOM 1257 CB GLU A 78 22.041 -30.320 15.330 1.00 12.10 C ATOM 1258 CG GLU A 78 22.831 -30.158 14.042 1.00 52.02 C ATOM 1259 CD GLU A 78 23.895 -31.224 13.872 1.00 3.31 C ATOM 1260 OE1 GLU A 78 23.575 -32.417 14.052 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 25.049 -30.864 13.557 1.00 44.14 O ATOM 0 H GLU A 78 20.417 -31.546 13.908 1.00 30.11 H new ATOM 0 HA GLU A 78 20.131 -29.859 16.202 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.512 -29.725 16.112 1.00 12.10 H new ATOM 0 HB3 GLU A 78 22.091 -31.361 15.648 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.147 -30.194 13.194 1.00 52.02 H new ATOM 0 HG3 GLU A 78 23.302 -29.175 14.030 1.00 52.02 H new ATOM 1268 N GLU A 79 20.399 -28.499 13.239 1.00 34.12 N ATOM 1269 CA GLU A 79 20.302 -27.243 12.504 1.00 41.22 C ATOM 1270 C GLU A 79 18.998 -26.522 12.830 1.00 73.11 C ATOM 1271 O GLU A 79 18.999 -25.339 13.172 1.00 3.25 O ATOM 1272 CB GLU A 79 20.395 -27.498 10.998 1.00 40.51 C ATOM 1273 CG GLU A 79 20.376 -26.229 10.164 1.00 71.40 C ATOM 1274 CD GLU A 79 21.746 -25.590 10.042 1.00 23.32 C ATOM 1275 OE1 GLU A 79 22.378 -25.337 11.088 1.00 73.13 O1- ATOM 1276 OE2 GLU A 79 22.185 -25.342 8.899 1.00 25.22 O ATOM 0 H GLU A 79 20.403 -29.333 12.651 1.00 34.12 H new ATOM 0 HA GLU A 79 21.134 -26.608 12.809 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.312 -28.048 10.787 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.565 -28.135 10.694 1.00 40.51 H new ATOM 0 HG2 GLU A 79 19.997 -26.459 9.168 1.00 71.40 H new ATOM 0 HG3 GLU A 79 19.685 -25.515 10.612 1.00 71.40 H new ATOM 1283 N ALA A 80 17.886 -27.242 12.720 1.00 23.40 N ATOM 1284 CA ALA A 80 16.575 -26.672 13.003 1.00 41.12 C ATOM 1285 C ALA A 80 16.512 -26.121 14.423 1.00 13.05 C ATOM 1286 O ALA A 80 15.781 -25.169 14.696 1.00 13.31 O ATOM 1287 CB ALA A 80 15.489 -27.717 12.792 1.00 63.34 C ATOM 0 H ALA A 80 17.867 -28.222 12.437 1.00 23.40 H new ATOM 0 HA ALA A 80 16.408 -25.845 12.312 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.515 -27.278 13.007 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.512 -28.062 11.758 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.662 -28.561 13.460 1.00 63.34 H new ATOM 1293 N GLN A 81 17.281 -26.724 15.323 1.00 53.33 N ATOM 1294 CA GLN A 81 17.311 -26.293 16.715 1.00 55.10 C ATOM 1295 C GLN A 81 17.916 -24.899 16.841 1.00 65.05 C ATOM 1296 O GLN A 81 17.612 -24.161 17.778 1.00 13.14 O ATOM 1297 CB GLN A 81 18.109 -27.287 17.562 1.00 55.14 C ATOM 1298 CG GLN A 81 17.530 -28.693 17.557 1.00 15.04 C ATOM 1299 CD GLN A 81 16.826 -29.038 18.855 1.00 74.24 C ATOM 1300 OE1 GLN A 81 17.190 -28.543 19.923 1.00 60.45 O ATOM 1301 NE2 GLN A 81 15.812 -29.891 18.769 1.00 12.11 N ATOM 0 H GLN A 81 17.892 -27.513 15.113 1.00 53.33 H new ATOM 0 HA GLN A 81 16.284 -26.258 17.080 1.00 55.10 H new ATOM 0 HB2 GLN A 81 19.134 -27.324 17.194 1.00 55.14 H new ATOM 0 HB3 GLN A 81 18.152 -26.924 18.589 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.827 -28.789 16.730 1.00 15.04 H new ATOM 0 HG3 GLN A 81 18.331 -29.411 17.380 1.00 15.04 H new ATOM 0 HE21 GLN A 81 15.545 -30.276 17.863 1.00 12.11 H new ATOM 0 HE22 GLN A 81 15.300 -30.161 19.609 1.00 12.11 H new ATOM 1310 N GLY A 82 18.775 -24.544 15.889 1.00 10.33 N ATOM 1311 CA GLY A 82 19.409 -23.239 15.913 1.00 0.41 C ATOM 1312 C GLY A 82 18.403 -22.105 15.943 1.00 3.45 C ATOM 1313 O GLY A 82 18.653 -21.061 16.544 1.00 20.11 O ATOM 0 H GLY A 82 19.042 -25.136 15.103 1.00 10.33 H new ATOM 0 HA2 GLY A 82 20.056 -23.169 16.787 1.00 0.41 H new ATOM 0 HA3 GLY A 82 20.046 -23.132 15.035 1.00 0.41 H new ATOM 1317 N ILE A 83 17.263 -22.310 15.291 1.00 31.40 N ATOM 1318 CA ILE A 83 16.217 -21.297 15.245 1.00 1.12 C ATOM 1319 C ILE A 83 14.995 -21.732 16.046 1.00 73.35 C ATOM 1320 O ILE A 83 14.210 -20.901 16.503 1.00 13.12 O ATOM 1321 CB ILE A 83 15.788 -20.996 13.797 1.00 1.41 C ATOM 1322 CG1 ILE A 83 15.142 -22.231 13.166 1.00 4.34 C ATOM 1323 CG2 ILE A 83 16.983 -20.537 12.974 1.00 22.22 C ATOM 1324 CD1 ILE A 83 14.663 -22.005 11.748 1.00 2.43 C ATOM 0 H ILE A 83 17.041 -23.169 14.787 1.00 31.40 H new ATOM 0 HA ILE A 83 16.634 -20.392 15.687 1.00 1.12 H new ATOM 0 HB ILE A 83 15.052 -20.192 13.812 1.00 1.41 H new ATOM 0 HG12 ILE A 83 15.861 -23.050 13.172 1.00 4.34 H new ATOM 0 HG13 ILE A 83 14.298 -22.544 13.781 1.00 4.34 H new ATOM 0 HG21 ILE A 83 16.663 -20.328 11.953 1.00 22.22 H new ATOM 0 HG22 ILE A 83 17.403 -19.633 13.415 1.00 22.22 H new ATOM 0 HG23 ILE A 83 17.740 -21.321 12.964 1.00 22.22 H new ATOM 0 HD11 ILE A 83 14.216 -22.922 11.364 1.00 2.43 H new ATOM 0 HD12 ILE A 83 13.920 -21.208 11.738 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.507 -21.722 11.119 1.00 2.43 H new ATOM 1336 N HIS A 84 14.839 -23.041 16.214 1.00 63.03 N ATOM 1337 CA HIS A 84 13.714 -23.588 16.962 1.00 54.51 C ATOM 1338 C HIS A 84 14.031 -24.990 17.474 1.00 12.33 C ATOM 1339 O HIS A 84 13.891 -25.985 16.762 1.00 53.42 O ATOM 1340 CB HIS A 84 12.461 -23.624 16.085 1.00 32.52 C ATOM 1341 CG HIS A 84 11.222 -23.170 16.794 1.00 13.05 C ATOM 1342 ND1 HIS A 84 10.936 -23.503 18.101 1.00 42.33 N ATOM 1343 CD2 HIS A 84 10.192 -22.402 16.369 1.00 40.41 C ATOM 1344 CE1 HIS A 84 9.783 -22.962 18.449 1.00 4.32 C ATOM 1345 NE2 HIS A 84 9.310 -22.288 17.416 1.00 13.00 N ATOM 0 H HIS A 84 15.478 -23.743 15.842 1.00 63.03 H new ATOM 0 HA HIS A 84 13.531 -22.940 17.819 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.621 -22.994 15.210 1.00 32.52 H new ATOM 0 HB3 HIS A 84 12.310 -24.641 15.722 1.00 32.52 H new ATOM 0 HD2 HIS A 84 10.084 -21.961 15.389 1.00 40.41 H new ATOM 0 HE1 HIS A 84 9.307 -23.055 19.414 1.00 4.32 H new ATOM 0 HE2 HIS A 84 8.433 -21.768 17.399 1.00 13.00 H new ATOM 1353 N PRO A 85 14.469 -25.073 18.740 1.00 51.33 N ATOM 1354 CA PRO A 85 14.815 -26.348 19.375 1.00 21.45 C ATOM 1355 C PRO A 85 13.590 -27.216 19.639 1.00 1.12 C ATOM 1356 O PRO A 85 13.713 -28.373 20.040 1.00 55.23 O ATOM 1357 CB PRO A 85 15.463 -25.922 20.695 1.00 54.51 C ATOM 1358 CG PRO A 85 14.885 -24.579 20.984 1.00 23.33 C ATOM 1359 CD PRO A 85 14.660 -23.929 19.647 1.00 35.21 C ATOM 0 HA PRO A 85 15.462 -26.956 18.743 1.00 21.45 H new ATOM 0 HB2 PRO A 85 15.238 -26.630 21.493 1.00 54.51 H new ATOM 0 HB3 PRO A 85 16.548 -25.875 20.606 1.00 54.51 H new ATOM 0 HG2 PRO A 85 13.950 -24.667 21.537 1.00 23.33 H new ATOM 0 HG3 PRO A 85 15.563 -23.986 21.597 1.00 23.33 H new ATOM 0 HD2 PRO A 85 13.787 -23.276 19.659 1.00 35.21 H new ATOM 0 HD3 PRO A 85 15.512 -23.318 19.349 1.00 35.21 H new ATOM 1367 N GLU A 86 12.409 -26.650 19.411 1.00 11.24 N ATOM 1368 CA GLU A 86 11.161 -27.374 19.625 1.00 2.30 C ATOM 1369 C GLU A 86 10.942 -28.414 18.531 1.00 54.33 C ATOM 1370 O GLU A 86 10.173 -29.360 18.704 1.00 72.01 O ATOM 1371 CB GLU A 86 9.981 -26.400 19.663 1.00 32.11 C ATOM 1372 CG GLU A 86 9.936 -25.547 20.919 1.00 10.02 C ATOM 1373 CD GLU A 86 9.823 -26.375 22.183 1.00 32.22 C ATOM 1374 OE1 GLU A 86 8.712 -26.870 22.470 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 10.843 -26.529 22.886 1.00 32.50 O ATOM 0 H GLU A 86 12.290 -25.693 19.078 1.00 11.24 H new ATOM 0 HA GLU A 86 11.228 -27.889 20.583 1.00 2.30 H new ATOM 0 HB2 GLU A 86 10.032 -25.747 18.792 1.00 32.11 H new ATOM 0 HB3 GLU A 86 9.052 -26.965 19.584 1.00 32.11 H new ATOM 0 HG2 GLU A 86 10.836 -24.934 20.970 1.00 10.02 H new ATOM 0 HG3 GLU A 86 9.089 -24.864 20.860 1.00 10.02 H new ATOM 1382 N TYR A 87 11.623 -28.234 17.405 1.00 13.33 N ATOM 1383 CA TYR A 87 11.501 -29.155 16.281 1.00 62.40 C ATOM 1384 C TYR A 87 11.815 -30.584 16.712 1.00 30.01 C ATOM 1385 O TYR A 87 12.176 -30.833 17.861 1.00 64.21 O ATOM 1386 CB TYR A 87 12.437 -28.735 15.147 1.00 41.24 C ATOM 1387 CG TYR A 87 11.923 -27.564 14.340 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.604 -27.519 13.906 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.757 -26.501 14.010 1.00 24.43 C ATOM 1390 CE1 TYR A 87 10.129 -26.452 13.167 1.00 10.23 C ATOM 1391 CE2 TYR A 87 12.291 -25.430 13.274 1.00 41.22 C ATOM 1392 CZ TYR A 87 10.977 -25.409 12.855 1.00 73.33 C ATOM 1393 OH TYR A 87 10.510 -24.344 12.120 1.00 33.41 O ATOM 0 H TYR A 87 12.266 -27.458 17.246 1.00 13.33 H new ATOM 0 HA TYR A 87 10.471 -29.120 15.925 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.410 -28.477 15.566 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.592 -29.584 14.481 1.00 41.24 H new ATOM 0 HD1 TYR A 87 9.937 -28.333 14.151 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.787 -26.514 14.335 1.00 24.43 H new ATOM 0 HE1 TYR A 87 9.101 -26.435 12.836 1.00 10.23 H new ATOM 0 HE2 TYR A 87 12.952 -24.612 13.027 1.00 41.22 H new ATOM 0 HH TYR A 87 11.082 -23.563 12.276 1.00 33.41 H new ATOM 1403 N MET A 88 11.675 -31.521 15.779 1.00 30.33 N ATOM 1404 CA MET A 88 11.945 -32.925 16.060 1.00 15.53 C ATOM 1405 C MET A 88 12.069 -33.724 14.767 1.00 10.42 C ATOM 1406 O MET A 88 11.422 -33.412 13.768 1.00 24.25 O ATOM 1407 CB MET A 88 10.836 -33.515 16.933 1.00 14.22 C ATOM 1408 CG MET A 88 11.197 -34.857 17.551 1.00 4.24 C ATOM 1409 SD MET A 88 10.399 -35.125 19.145 1.00 21.05 S ATOM 1410 CE MET A 88 11.151 -33.826 20.123 1.00 34.51 C ATOM 0 H MET A 88 11.376 -31.332 14.822 1.00 30.33 H new ATOM 0 HA MET A 88 12.892 -32.987 16.597 1.00 15.53 H new ATOM 0 HB2 MET A 88 10.598 -32.810 17.729 1.00 14.22 H new ATOM 0 HB3 MET A 88 9.935 -33.632 16.331 1.00 14.22 H new ATOM 0 HG2 MET A 88 10.911 -35.656 16.867 1.00 4.24 H new ATOM 0 HG3 MET A 88 12.278 -34.916 17.676 1.00 4.24 H new ATOM 0 HE1 MET A 88 11.176 -34.127 21.170 1.00 34.51 H new ATOM 0 HE2 MET A 88 12.167 -33.648 19.772 1.00 34.51 H new ATOM 0 HE3 MET A 88 10.567 -32.911 20.023 1.00 34.51 H new ATOM 1420 N VAL A 89 12.905 -34.757 14.794 1.00 2.14 N ATOM 1421 CA VAL A 89 13.114 -35.602 13.623 1.00 32.25 C ATOM 1422 C VAL A 89 11.787 -36.091 13.054 1.00 31.51 C ATOM 1423 O VAL A 89 11.006 -36.742 13.745 1.00 22.02 O ATOM 1424 CB VAL A 89 13.995 -36.820 13.960 1.00 43.25 C ATOM 1425 CG1 VAL A 89 14.208 -37.683 12.726 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.327 -36.370 14.541 1.00 64.13 C ATOM 0 H VAL A 89 13.448 -35.029 15.613 1.00 2.14 H new ATOM 0 HA VAL A 89 13.622 -34.990 12.878 1.00 32.25 H new ATOM 0 HB VAL A 89 13.481 -37.421 14.710 1.00 43.25 H new ATOM 0 HG11 VAL A 89 14.833 -38.538 12.984 1.00 5.33 H new ATOM 0 HG12 VAL A 89 13.244 -38.035 12.358 1.00 5.33 H new ATOM 0 HG13 VAL A 89 14.700 -37.095 11.951 1.00 5.33 H new ATOM 0 HG21 VAL A 89 15.936 -37.243 14.773 1.00 64.13 H new ATOM 0 HG22 VAL A 89 15.849 -35.746 13.815 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.152 -35.797 15.452 1.00 64.13 H new ATOM 1436 N GLY A 90 11.538 -35.771 11.788 1.00 61.31 N ATOM 1437 CA GLY A 90 10.305 -36.186 11.147 1.00 5.34 C ATOM 1438 C GLY A 90 9.423 -35.011 10.772 1.00 73.20 C ATOM 1439 O GLY A 90 8.547 -35.132 9.915 1.00 73.05 O ATOM 0 H GLY A 90 12.169 -35.232 11.195 1.00 61.31 H new ATOM 0 HA2 GLY A 90 10.540 -36.760 10.251 1.00 5.34 H new ATOM 0 HA3 GLY A 90 9.757 -36.849 11.816 1.00 5.34 H new ATOM 1443 N ASP A 91 9.651 -33.873 11.416 1.00 14.12 N ATOM 1444 CA ASP A 91 8.870 -32.670 11.147 1.00 22.15 C ATOM 1445 C ASP A 91 9.464 -31.887 9.980 1.00 32.31 C ATOM 1446 O ASP A 91 10.367 -32.365 9.293 1.00 53.31 O ATOM 1447 CB ASP A 91 8.809 -31.786 12.393 1.00 12.13 C ATOM 1448 CG ASP A 91 7.457 -31.121 12.565 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.431 -31.814 12.400 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.426 -29.910 12.867 1.00 3.14 O ATOM 0 H ASP A 91 10.371 -33.757 12.129 1.00 14.12 H new ATOM 0 HA ASP A 91 7.859 -32.975 10.879 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.029 -32.389 13.274 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.582 -31.020 12.330 1.00 12.13 H new ATOM 1455 N VAL A 92 8.950 -30.681 9.762 1.00 31.51 N ATOM 1456 CA VAL A 92 9.429 -29.831 8.678 1.00 42.33 C ATOM 1457 C VAL A 92 9.643 -28.398 9.156 1.00 75.52 C ATOM 1458 O VAL A 92 8.833 -27.858 9.911 1.00 53.31 O ATOM 1459 CB VAL A 92 8.446 -29.824 7.493 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.538 -31.126 6.714 1.00 55.14 C ATOM 1461 CG2 VAL A 92 7.025 -29.585 7.982 1.00 61.45 C ATOM 0 H VAL A 92 8.202 -30.270 10.321 1.00 31.51 H new ATOM 0 HA VAL A 92 10.381 -30.247 8.348 1.00 42.33 H new ATOM 0 HB VAL A 92 8.718 -29.008 6.823 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.836 -31.102 5.881 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.551 -31.250 6.331 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.293 -31.961 7.371 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.343 -29.583 7.132 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.740 -30.378 8.674 1.00 61.45 H new ATOM 0 HG23 VAL A 92 6.972 -28.623 8.491 1.00 61.45 H new ATOM 1471 N VAL A 93 10.737 -27.789 8.712 1.00 53.22 N ATOM 1472 CA VAL A 93 11.056 -26.418 9.093 1.00 1.40 C ATOM 1473 C VAL A 93 10.959 -25.479 7.897 1.00 13.54 C ATOM 1474 O VAL A 93 11.285 -25.854 6.772 1.00 42.32 O ATOM 1475 CB VAL A 93 12.470 -26.319 9.696 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.506 -26.860 8.724 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.786 -24.881 10.077 1.00 1.50 C ATOM 0 H VAL A 93 11.418 -28.223 8.088 1.00 53.22 H new ATOM 0 HA VAL A 93 10.326 -26.120 9.845 1.00 1.40 H new ATOM 0 HB VAL A 93 12.503 -26.927 10.600 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.498 -26.781 9.169 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.288 -27.905 8.505 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.475 -26.282 7.800 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.789 -24.829 10.501 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.734 -24.250 9.190 1.00 1.50 H new ATOM 0 HG23 VAL A 93 12.062 -24.532 10.813 1.00 1.50 H new ATOM 1487 N GLU A 94 10.508 -24.254 8.149 1.00 63.33 N ATOM 1488 CA GLU A 94 10.368 -23.259 7.092 1.00 13.04 C ATOM 1489 C GLU A 94 11.298 -22.074 7.332 1.00 14.14 C ATOM 1490 O GLU A 94 11.232 -21.422 8.374 1.00 22.33 O ATOM 1491 CB GLU A 94 8.919 -22.775 7.006 1.00 72.23 C ATOM 1492 CG GLU A 94 8.076 -23.549 6.006 1.00 51.42 C ATOM 1493 CD GLU A 94 6.601 -23.541 6.356 1.00 45.35 C ATOM 1494 OE1 GLU A 94 6.276 -23.655 7.556 1.00 3.23 O ATOM 1495 OE2 GLU A 94 5.772 -23.420 5.430 1.00 11.44 O1- ATOM 0 H GLU A 94 10.234 -23.927 9.075 1.00 63.33 H new ATOM 0 HA GLU A 94 10.644 -23.729 6.148 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.460 -22.852 7.992 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.913 -21.720 6.733 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.212 -23.120 5.013 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.429 -24.579 5.960 1.00 51.42 H new ATOM 1502 N ILE A 95 12.163 -21.802 6.361 1.00 43.41 N ATOM 1503 CA ILE A 95 13.107 -20.696 6.466 1.00 24.11 C ATOM 1504 C ILE A 95 12.918 -19.702 5.325 1.00 51.42 C ATOM 1505 O ILE A 95 12.681 -20.092 4.182 1.00 43.44 O ATOM 1506 CB ILE A 95 14.563 -21.196 6.460 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.734 -22.348 7.453 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.515 -20.057 6.793 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.533 -23.714 6.835 1.00 4.40 C ATOM 0 H ILE A 95 12.230 -22.332 5.492 1.00 43.41 H new ATOM 0 HA ILE A 95 12.906 -20.199 7.415 1.00 24.11 H new ATOM 0 HB ILE A 95 14.802 -21.563 5.462 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.733 -22.298 7.887 1.00 21.22 H new ATOM 0 HG13 ILE A 95 14.025 -22.220 8.271 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.541 -20.426 6.785 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.408 -19.265 6.052 1.00 24.14 H new ATOM 0 HG23 ILE A 95 15.279 -19.663 7.781 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.669 -24.482 7.597 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.525 -23.784 6.426 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.260 -23.862 6.036 1.00 4.40 H new ATOM 1521 N GLU A 96 13.026 -18.416 5.644 1.00 15.41 N ATOM 1522 CA GLU A 96 12.867 -17.367 4.645 1.00 4.20 C ATOM 1523 C GLU A 96 13.776 -17.616 3.444 1.00 3.25 C ATOM 1524 O GLU A 96 14.995 -17.714 3.585 1.00 21.32 O ATOM 1525 CB GLU A 96 13.177 -15.998 5.257 1.00 33.11 C ATOM 1526 CG GLU A 96 14.445 -15.978 6.094 1.00 44.11 C ATOM 1527 CD GLU A 96 14.907 -14.572 6.419 1.00 24.12 C ATOM 1528 OE1 GLU A 96 14.420 -14.003 7.418 1.00 64.34 O ATOM 1529 OE2 GLU A 96 15.758 -14.040 5.675 1.00 23.44 O1- ATOM 0 H GLU A 96 13.223 -18.076 6.585 1.00 15.41 H new ATOM 0 HA GLU A 96 11.832 -17.380 4.304 1.00 4.20 H new ATOM 0 HB2 GLU A 96 13.269 -15.264 4.456 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.337 -15.689 5.878 1.00 33.11 H new ATOM 0 HG2 GLU A 96 14.272 -16.523 7.022 1.00 44.11 H new ATOM 0 HG3 GLU A 96 15.237 -16.502 5.559 1.00 44.11 H new ATOM 1536 N VAL A 97 13.174 -17.718 2.264 1.00 52.41 N ATOM 1537 CA VAL A 97 13.926 -17.957 1.039 1.00 41.24 C ATOM 1538 C VAL A 97 13.466 -17.028 -0.079 1.00 64.02 C ATOM 1539 O VAL A 97 13.813 -17.220 -1.245 1.00 40.42 O ATOM 1540 CB VAL A 97 13.788 -19.417 0.569 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.422 -19.647 -0.060 1.00 41.13 C ATOM 1542 CG2 VAL A 97 14.899 -19.770 -0.407 1.00 14.33 C ATOM 0 H VAL A 97 12.166 -17.639 2.131 1.00 52.41 H new ATOM 0 HA VAL A 97 14.973 -17.755 1.267 1.00 41.24 H new ATOM 0 HB VAL A 97 13.878 -20.070 1.437 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.342 -20.684 -0.387 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.644 -19.436 0.673 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.301 -18.986 -0.918 1.00 41.13 H new ATOM 0 HG21 VAL A 97 14.786 -20.805 -0.728 1.00 14.33 H new ATOM 0 HG22 VAL A 97 14.844 -19.112 -1.275 1.00 14.33 H new ATOM 0 HG23 VAL A 97 15.865 -19.646 0.081 1.00 14.33 H new ATOM 1552 N THR A 98 12.680 -16.018 0.284 1.00 74.11 N ATOM 1553 CA THR A 98 12.170 -15.060 -0.687 1.00 21.42 C ATOM 1554 C THR A 98 13.213 -13.995 -1.009 1.00 23.55 C ATOM 1555 O THR A 98 13.928 -13.508 -0.133 1.00 72.05 O ATOM 1556 CB THR A 98 10.889 -14.371 -0.179 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.286 -13.617 -1.236 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.199 -13.453 0.995 1.00 33.24 C ATOM 0 H THR A 98 12.383 -15.844 1.244 1.00 74.11 H new ATOM 0 HA THR A 98 11.937 -15.622 -1.592 1.00 21.42 H new ATOM 0 HB THR A 98 10.195 -15.142 0.156 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.610 -14.166 -1.685 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.280 -12.977 1.337 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.631 -14.036 1.809 1.00 33.24 H new ATOM 0 HG23 THR A 98 11.909 -12.688 0.681 1.00 33.24 H new ATOM 1566 N PRO A 99 13.302 -13.622 -2.295 1.00 61.42 N ATOM 1567 CA PRO A 99 14.254 -12.610 -2.760 1.00 22.35 C ATOM 1568 C PRO A 99 13.893 -11.209 -2.277 1.00 21.13 C ATOM 1569 O PRO A 99 12.748 -10.942 -1.914 1.00 4.33 O ATOM 1570 CB PRO A 99 14.144 -12.695 -4.285 1.00 33.45 C ATOM 1571 CG PRO A 99 12.778 -13.232 -4.537 1.00 23.31 C ATOM 1572 CD PRO A 99 12.480 -14.160 -3.392 1.00 75.43 C ATOM 0 HA PRO A 99 15.260 -12.791 -2.380 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.276 -11.716 -4.747 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.910 -13.350 -4.701 1.00 33.45 H new ATOM 0 HG2 PRO A 99 12.045 -12.427 -4.587 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.736 -13.761 -5.489 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.420 -14.158 -3.138 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.749 -15.189 -3.628 1.00 75.43 H new ATOM 1580 N LYS A 100 14.878 -10.317 -2.277 1.00 1.34 N ATOM 1581 CA LYS A 100 14.665 -8.942 -1.842 1.00 31.23 C ATOM 1582 C LYS A 100 13.917 -8.144 -2.905 1.00 11.53 C ATOM 1583 O LYS A 100 13.550 -6.990 -2.684 1.00 43.02 O ATOM 1584 CB LYS A 100 16.005 -8.270 -1.531 1.00 14.02 C ATOM 1585 CG LYS A 100 16.507 -8.537 -0.124 1.00 13.24 C ATOM 1586 CD LYS A 100 17.367 -9.788 -0.066 1.00 51.30 C ATOM 1587 CE LYS A 100 18.769 -9.525 -0.595 1.00 60.13 C ATOM 1588 NZ LYS A 100 19.509 -8.551 0.255 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.832 -10.522 -2.574 1.00 1.34 H new ATOM 0 HA LYS A 100 14.058 -8.964 -0.937 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.751 -8.618 -2.246 1.00 14.02 H new ATOM 0 HB3 LYS A 100 15.904 -7.194 -1.674 1.00 14.02 H new ATOM 0 HG2 LYS A 100 17.084 -7.681 0.226 1.00 13.24 H new ATOM 0 HG3 LYS A 100 15.658 -8.646 0.551 1.00 13.24 H new ATOM 0 HD2 LYS A 100 17.426 -10.143 0.963 1.00 51.30 H new ATOM 0 HD3 LYS A 100 16.899 -10.580 -0.650 1.00 51.30 H new ATOM 0 HE2 LYS A 100 19.323 -10.463 -0.639 1.00 60.13 H new ATOM 0 HE3 LYS A 100 18.707 -9.144 -1.614 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 20.417 -8.965 0.547 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 19.683 -7.680 -0.286 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 18.944 -8.327 1.099 1.00 62.04 H new ATOM 1602 N ASP A 101 13.695 -8.765 -4.058 1.00 23.32 N ATOM 1603 CA ASP A 101 12.990 -8.113 -5.155 1.00 41.13 C ATOM 1604 C ASP A 101 11.596 -8.707 -5.333 1.00 43.12 C ATOM 1605 O ASP A 101 10.884 -8.373 -6.281 1.00 15.43 O ATOM 1606 CB ASP A 101 13.785 -8.248 -6.454 1.00 64.01 C ATOM 1607 CG ASP A 101 14.858 -7.186 -6.588 1.00 62.02 C ATOM 1608 OD1 ASP A 101 14.504 -5.990 -6.660 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 16.052 -7.549 -6.621 1.00 12.30 O ATOM 0 H ASP A 101 13.993 -9.720 -4.257 1.00 23.32 H new ATOM 0 HA ASP A 101 12.887 -7.056 -4.911 1.00 41.13 H new ATOM 0 HB2 ASP A 101 14.247 -9.234 -6.493 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.104 -8.181 -7.302 1.00 64.01 H new ATOM 1614 N PHE A 102 11.212 -9.589 -4.417 1.00 61.52 N ATOM 1615 CA PHE A 102 9.905 -10.231 -4.474 1.00 41.25 C ATOM 1616 C PHE A 102 8.794 -9.235 -4.152 1.00 61.03 C ATOM 1617 O PHE A 102 7.634 -9.448 -4.499 1.00 73.03 O ATOM 1618 CB PHE A 102 9.847 -11.408 -3.497 1.00 42.23 C ATOM 1619 CG PHE A 102 9.225 -12.643 -4.083 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.688 -13.170 -5.278 1.00 34.02 C ATOM 1621 CD2 PHE A 102 8.174 -13.277 -3.439 1.00 61.34 C ATOM 1622 CE1 PHE A 102 9.116 -14.305 -5.819 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.600 -14.414 -3.975 1.00 54.01 C ATOM 1624 CZ PHE A 102 8.070 -14.928 -5.167 1.00 15.23 C ATOM 0 H PHE A 102 11.788 -9.876 -3.626 1.00 61.52 H new ATOM 0 HA PHE A 102 9.755 -10.601 -5.488 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.858 -11.643 -3.163 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.281 -11.110 -2.614 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.506 -12.688 -5.793 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.800 -12.878 -2.508 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.487 -14.705 -6.751 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.784 -14.900 -3.462 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.621 -15.815 -5.589 1.00 15.23 H new ATOM 1634 N GLY A 103 9.160 -8.145 -3.483 1.00 33.20 N ATOM 1635 CA GLY A 103 8.186 -7.132 -3.124 1.00 14.33 C ATOM 1636 C GLY A 103 7.343 -6.695 -4.305 1.00 14.11 C ATOM 1637 O GLY A 103 6.113 -6.694 -4.234 1.00 52.21 O ATOM 0 H GLY A 103 10.115 -7.946 -3.184 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.535 -7.520 -2.340 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.703 -6.266 -2.710 1.00 14.33 H new ATOM 1641 N ARG A 104 8.004 -6.319 -5.395 1.00 11.41 N ATOM 1642 CA ARG A 104 7.307 -5.874 -6.596 1.00 21.11 C ATOM 1643 C ARG A 104 6.775 -7.065 -7.389 1.00 54.21 C ATOM 1644 O ARG A 104 5.691 -7.001 -7.970 1.00 35.02 O ATOM 1645 CB ARG A 104 8.242 -5.041 -7.474 1.00 50.22 C ATOM 1646 CG ARG A 104 7.518 -4.227 -8.535 1.00 72.45 C ATOM 1647 CD ARG A 104 7.081 -2.874 -7.996 1.00 22.14 C ATOM 1648 NE ARG A 104 6.405 -2.072 -9.012 1.00 50.51 N ATOM 1649 CZ ARG A 104 5.745 -0.951 -8.744 1.00 32.33 C ATOM 1650 NH1 ARG A 104 5.672 -0.502 -7.500 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 5.156 -0.277 -9.724 1.00 63.54 N ATOM 0 H ARG A 104 9.021 -6.314 -5.471 1.00 11.41 H new ATOM 0 HA ARG A 104 6.462 -5.258 -6.288 1.00 21.11 H new ATOM 0 HB2 ARG A 104 8.817 -4.366 -6.840 1.00 50.22 H new ATOM 0 HB3 ARG A 104 8.956 -5.705 -7.962 1.00 50.22 H new ATOM 0 HG2 ARG A 104 8.173 -4.083 -9.395 1.00 72.45 H new ATOM 0 HG3 ARG A 104 6.646 -4.779 -8.887 1.00 72.45 H new ATOM 0 HD2 ARG A 104 6.414 -3.021 -7.147 1.00 22.14 H new ATOM 0 HD3 ARG A 104 7.952 -2.332 -7.627 1.00 22.14 H new ATOM 0 HE ARG A 104 6.442 -2.390 -9.980 1.00 50.51 H new ATOM 0 HH11 ARG A 104 6.123 -1.017 -6.744 1.00 65.42 H new ATOM 0 HH12 ARG A 104 5.164 0.359 -7.298 1.00 65.42 H new ATOM 0 HH21 ARG A 104 5.210 -0.620 -10.683 1.00 63.54 H new ATOM 0 HH22 ARG A 104 4.649 0.584 -9.518 1.00 63.54 H new ATOM 1665 N ILE A 105 7.543 -8.148 -7.407 1.00 74.15 N ATOM 1666 CA ILE A 105 7.148 -9.353 -8.126 1.00 51.42 C ATOM 1667 C ILE A 105 5.810 -9.882 -7.620 1.00 31.22 C ATOM 1668 O ILE A 105 4.983 -10.354 -8.399 1.00 32.23 O ATOM 1669 CB ILE A 105 8.209 -10.462 -7.994 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.552 -9.979 -8.545 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.754 -11.719 -8.719 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.719 -10.852 -8.139 1.00 51.01 C ATOM 0 H ILE A 105 8.443 -8.216 -6.932 1.00 74.15 H new ATOM 0 HA ILE A 105 7.053 -9.076 -9.176 1.00 51.42 H new ATOM 0 HB ILE A 105 8.335 -10.701 -6.938 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.497 -9.942 -9.633 1.00 71.02 H new ATOM 0 HG13 ILE A 105 9.733 -8.961 -8.200 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.514 -12.493 -8.617 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.818 -12.070 -8.286 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.604 -11.496 -9.775 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.639 -10.451 -8.565 1.00 51.01 H new ATOM 0 HD12 ILE A 105 10.799 -10.870 -7.052 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.561 -11.866 -8.507 1.00 51.01 H new ATOM 1684 N ALA A 106 5.604 -9.798 -6.310 1.00 52.13 N ATOM 1685 CA ALA A 106 4.366 -10.265 -5.700 1.00 0.32 C ATOM 1686 C ALA A 106 3.152 -9.616 -6.357 1.00 11.13 C ATOM 1687 O ALA A 106 2.214 -10.302 -6.763 1.00 42.22 O ATOM 1688 CB ALA A 106 4.374 -9.980 -4.205 1.00 60.32 C ATOM 0 H ALA A 106 6.279 -9.411 -5.651 1.00 52.13 H new ATOM 0 HA ALA A 106 4.298 -11.342 -5.853 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.443 -10.334 -3.762 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.215 -10.495 -3.741 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.469 -8.907 -4.040 1.00 60.32 H new ATOM 1694 N ALA A 107 3.177 -8.292 -6.459 1.00 54.24 N ATOM 1695 CA ALA A 107 2.080 -7.552 -7.068 1.00 40.42 C ATOM 1696 C ALA A 107 2.026 -7.789 -8.573 1.00 61.51 C ATOM 1697 O ALA A 107 0.959 -7.718 -9.183 1.00 62.23 O ATOM 1698 CB ALA A 107 2.215 -6.066 -6.771 1.00 41.43 C ATOM 0 H ALA A 107 3.946 -7.709 -6.127 1.00 54.24 H new ATOM 0 HA ALA A 107 1.147 -7.914 -6.636 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.388 -5.526 -7.233 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.195 -5.907 -5.693 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.159 -5.699 -7.175 1.00 41.43 H new ATOM 1704 N GLN A 108 3.181 -8.072 -9.165 1.00 63.24 N ATOM 1705 CA GLN A 108 3.264 -8.318 -10.600 1.00 24.31 C ATOM 1706 C GLN A 108 2.702 -9.693 -10.949 1.00 33.31 C ATOM 1707 O GLN A 108 2.167 -9.897 -12.039 1.00 5.33 O ATOM 1708 CB GLN A 108 4.715 -8.212 -11.073 1.00 74.24 C ATOM 1709 CG GLN A 108 4.874 -8.342 -12.580 1.00 10.13 C ATOM 1710 CD GLN A 108 6.187 -7.772 -13.079 1.00 34.33 C ATOM 1711 OE1 GLN A 108 7.109 -8.514 -13.422 1.00 30.11 O ATOM 1712 NE2 GLN A 108 6.281 -6.449 -13.122 1.00 30.20 N ATOM 0 H GLN A 108 4.072 -8.137 -8.674 1.00 63.24 H new ATOM 0 HA GLN A 108 2.667 -7.561 -11.109 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.123 -7.253 -10.754 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.305 -8.988 -10.585 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.809 -9.394 -12.859 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.049 -7.830 -13.074 1.00 10.13 H new ATOM 0 HE21 GLN A 108 5.493 -5.872 -12.828 1.00 30.20 H new ATOM 0 HE22 GLN A 108 7.141 -6.009 -13.449 1.00 30.20 H new ATOM 1721 N THR A 109 2.828 -10.632 -10.017 1.00 14.35 N ATOM 1722 CA THR A 109 2.335 -11.987 -10.227 1.00 1.22 C ATOM 1723 C THR A 109 0.852 -12.092 -9.886 1.00 5.53 C ATOM 1724 O THR A 109 0.139 -12.937 -10.426 1.00 22.25 O ATOM 1725 CB THR A 109 3.117 -13.008 -9.381 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.516 -12.699 -9.409 1.00 62.10 O ATOM 1727 CG2 THR A 109 2.895 -14.422 -9.895 1.00 43.12 C ATOM 0 H THR A 109 3.267 -10.479 -9.109 1.00 14.35 H new ATOM 0 HA THR A 109 2.480 -12.215 -11.283 1.00 1.22 H new ATOM 0 HB THR A 109 2.753 -12.950 -8.355 1.00 63.33 H new ATOM 0 HG1 THR A 109 4.699 -11.956 -8.797 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.458 -15.125 -9.281 1.00 43.12 H new ATOM 0 HG22 THR A 109 1.834 -14.665 -9.844 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.234 -14.491 -10.929 1.00 43.12 H new ATOM 1735 N ALA A 110 0.395 -11.227 -8.986 1.00 1.34 N ATOM 1736 CA ALA A 110 -1.004 -11.220 -8.574 1.00 65.20 C ATOM 1737 C ALA A 110 -1.887 -10.587 -9.643 1.00 34.15 C ATOM 1738 O ALA A 110 -3.038 -10.984 -9.829 1.00 63.40 O ATOM 1739 CB ALA A 110 -1.161 -10.484 -7.252 1.00 42.13 C ATOM 0 H ALA A 110 0.973 -10.522 -8.528 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.324 -12.254 -8.441 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -2.210 -10.487 -6.957 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.567 -10.982 -6.486 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.818 -9.455 -7.365 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.343 -9.597 -10.344 1.00 4.43 N ATOM 1746 CA LYS A 111 -2.081 -8.908 -11.395 1.00 13.33 C ATOM 1747 C LYS A 111 -2.311 -9.827 -12.591 1.00 33.32 C ATOM 1748 O LYS A 111 -3.352 -9.760 -13.244 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.325 -7.654 -11.840 1.00 20.42 C ATOM 1750 CG LYS A 111 0.103 -7.929 -12.279 1.00 74.20 C ATOM 1751 CD LYS A 111 0.573 -6.920 -13.313 1.00 34.11 C ATOM 1752 CE LYS A 111 0.543 -5.502 -12.763 1.00 74.34 C ATOM 1753 NZ LYS A 111 -0.755 -4.827 -13.042 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.393 -9.254 -10.202 1.00 4.43 H new ATOM 0 HA LYS A 111 -3.051 -8.616 -10.992 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.866 -7.187 -12.663 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.312 -6.937 -11.019 1.00 20.42 H new ATOM 0 HG2 LYS A 111 0.763 -7.898 -11.412 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.170 -8.935 -12.694 1.00 74.20 H new ATOM 0 HD2 LYS A 111 1.586 -7.167 -13.629 1.00 34.11 H new ATOM 0 HD3 LYS A 111 -0.061 -6.982 -14.197 1.00 34.11 H new ATOM 0 HE2 LYS A 111 0.716 -5.526 -11.687 1.00 74.34 H new ATOM 0 HE3 LYS A 111 1.355 -4.924 -13.204 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 -0.598 -3.805 -13.154 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 -1.165 -5.212 -13.917 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 -1.409 -4.992 -12.251 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.334 -10.682 -12.870 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.432 -11.615 -13.987 1.00 10.21 C ATOM 1769 C GLN A 112 -2.368 -12.771 -13.652 1.00 0.31 C ATOM 1770 O GLN A 112 -3.043 -13.311 -14.527 1.00 14.34 O ATOM 1771 CB GLN A 112 -0.046 -12.154 -14.352 1.00 41.41 C ATOM 1772 CG GLN A 112 0.635 -12.897 -13.215 1.00 33.01 C ATOM 1773 CD GLN A 112 1.902 -13.604 -13.656 1.00 31.12 C ATOM 1774 OE1 GLN A 112 2.898 -12.964 -13.994 1.00 53.14 O ATOM 1775 NE2 GLN A 112 1.870 -14.932 -13.655 1.00 73.33 N ATOM 0 H GLN A 112 -0.466 -10.749 -12.339 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.842 -11.077 -14.842 1.00 10.21 H new ATOM 0 HB2 GLN A 112 -0.139 -12.822 -15.208 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.587 -11.323 -14.663 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.875 -12.193 -12.418 1.00 33.01 H new ATOM 0 HG3 GLN A 112 -0.058 -13.628 -12.797 1.00 33.01 H new ATOM 0 HE21 GLN A 112 1.023 -15.422 -13.367 1.00 73.33 H new ATOM 0 HE22 GLN A 112 2.693 -15.462 -13.942 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.404 -13.146 -12.377 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.257 -14.237 -11.924 1.00 53.54 C ATOM 1786 C VAL A 113 -4.718 -13.804 -11.865 1.00 33.44 C ATOM 1787 O VAL A 113 -5.589 -14.429 -12.470 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.828 -14.748 -10.536 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -3.874 -15.696 -9.968 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.469 -15.427 -10.616 1.00 71.43 C ATOM 0 H VAL A 113 -1.851 -12.709 -11.639 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.149 -15.044 -12.648 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.744 -13.894 -9.864 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.553 -16.046 -8.987 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.826 -15.173 -9.873 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -3.994 -16.549 -10.637 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.181 -15.782 -9.627 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.524 -16.272 -11.303 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.727 -14.714 -10.976 1.00 71.43 H new ATOM 1800 N VAL A 114 -4.980 -12.727 -11.130 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.336 -12.208 -10.993 1.00 44.31 C ATOM 1802 C VAL A 114 -6.954 -11.916 -12.355 1.00 24.40 C ATOM 1803 O VAL A 114 -8.145 -12.140 -12.570 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.360 -10.921 -10.145 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -5.893 -11.210 -8.725 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.503 -9.843 -10.788 1.00 62.43 C ATOM 0 H VAL A 114 -4.272 -12.198 -10.621 1.00 62.31 H new ATOM 0 HA VAL A 114 -6.920 -12.979 -10.490 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.386 -10.556 -10.098 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.916 -10.290 -8.140 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.553 -11.947 -8.268 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -4.875 -11.599 -8.749 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.532 -8.942 -10.176 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.474 -10.195 -10.867 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.887 -9.618 -11.783 1.00 62.43 H new ATOM 1816 N THR A 115 -6.136 -11.415 -13.276 1.00 11.13 N ATOM 1817 CA THR A 115 -6.601 -11.091 -14.618 1.00 33.11 C ATOM 1818 C THR A 115 -6.889 -12.355 -15.420 1.00 25.41 C ATOM 1819 O THR A 115 -7.743 -12.359 -16.306 1.00 0.53 O ATOM 1820 CB THR A 115 -5.571 -10.237 -15.380 1.00 14.23 C ATOM 1821 OG1 THR A 115 -5.363 -8.996 -14.697 1.00 20.24 O ATOM 1822 CG2 THR A 115 -6.038 -9.968 -16.803 1.00 72.31 C ATOM 0 H THR A 115 -5.147 -11.225 -13.116 1.00 11.13 H new ATOM 0 HA THR A 115 -7.521 -10.519 -14.503 1.00 33.11 H new ATOM 0 HB THR A 115 -4.632 -10.790 -15.422 1.00 14.23 H new ATOM 0 HG1 THR A 115 -4.736 -9.132 -13.956 1.00 20.24 H new ATOM 0 HG21 THR A 115 -5.294 -9.363 -17.322 1.00 72.31 H new ATOM 0 HG22 THR A 115 -6.167 -10.914 -17.329 1.00 72.31 H new ATOM 0 HG23 THR A 115 -6.988 -9.434 -16.779 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.171 -13.428 -15.102 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.350 -14.699 -15.794 1.00 54.01 C ATOM 1832 C GLN A 116 -7.666 -15.357 -15.393 1.00 61.15 C ATOM 1833 O GLN A 116 -8.449 -15.772 -16.248 1.00 62.10 O ATOM 1834 CB GLN A 116 -5.182 -15.639 -15.487 1.00 65.13 C ATOM 1835 CG GLN A 116 -3.952 -15.381 -16.343 1.00 43.44 C ATOM 1836 CD GLN A 116 -2.687 -15.949 -15.732 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -2.741 -16.797 -14.840 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -1.539 -15.484 -16.209 1.00 23.42 N ATOM 0 H GLN A 116 -5.461 -13.442 -14.370 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.376 -14.500 -16.865 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -4.911 -15.537 -14.436 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -5.507 -16.669 -15.634 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -4.103 -15.819 -17.330 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -3.832 -14.307 -16.485 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -1.541 -14.781 -16.949 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -0.655 -15.829 -15.836 1.00 23.42 H new ATOM 1847 N ARG A 117 -7.903 -15.447 -14.088 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.125 -16.056 -13.575 1.00 0.51 C ATOM 1849 C ARG A 117 -10.358 -15.377 -14.161 1.00 2.44 C ATOM 1850 O ARG A 117 -11.413 -15.997 -14.302 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.159 -15.970 -12.047 1.00 31.12 C ATOM 1852 CG ARG A 117 -7.938 -16.580 -11.376 1.00 40.43 C ATOM 1853 CD ARG A 117 -7.985 -18.100 -11.410 1.00 72.54 C ATOM 1854 NE ARG A 117 -9.126 -18.630 -10.669 1.00 64.15 N ATOM 1855 CZ ARG A 117 -9.192 -19.876 -10.214 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -8.188 -20.716 -10.422 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -10.265 -20.284 -9.548 1.00 63.20 N ATOM 0 H ARG A 117 -7.266 -15.107 -13.368 1.00 54.30 H new ATOM 0 HA ARG A 117 -9.133 -17.104 -13.874 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.241 -14.924 -11.752 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.054 -16.475 -11.683 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.034 -16.232 -11.876 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -7.881 -16.240 -10.342 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -8.037 -18.438 -12.445 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -7.062 -18.500 -10.990 1.00 72.54 H new ATOM 0 HE ARG A 117 -9.916 -18.009 -10.491 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -7.361 -20.406 -10.933 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -8.242 -21.672 -10.071 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -11.040 -19.641 -9.385 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -10.315 -21.241 -9.199 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.219 -14.099 -14.500 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.322 -13.336 -15.071 1.00 4.21 C ATOM 1873 C VAL A 118 -11.809 -13.963 -16.373 1.00 14.31 C ATOM 1874 O VAL A 118 -12.999 -14.231 -16.538 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.914 -11.875 -15.339 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -12.073 -11.099 -15.945 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -10.431 -11.214 -14.057 1.00 2.43 C ATOM 0 H VAL A 118 -9.354 -13.571 -14.389 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.130 -13.352 -14.339 1.00 4.21 H new ATOM 0 HB VAL A 118 -10.092 -11.871 -16.055 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.766 -10.069 -16.127 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.368 -11.562 -16.887 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.917 -11.109 -15.256 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -10.147 -10.182 -14.264 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -11.231 -11.228 -13.317 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.569 -11.757 -13.670 1.00 2.43 H new