USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=19 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 Set 1.1: A 53 THR OG1 : rot -50:sc= 1.13 USER MOD Set 1.2: A 55 SER OG : rot 180:sc= -0.33 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= -0.14 (180deg=-0.644) 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+ 169:sc= -0.0457 (180deg=-0.265) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 165:sc= -0.117 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0232 F(o=-0.91,f=-0.023) USER MOD Single : A 40 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.179 F(o=-0.88,f=-0.18) USER MOD Single : A 44 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.7!) USER MOD Single : A 50 ASN : amide:sc=-0.00296 K(o=-0.003,f=-1) 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 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0816 USER MOD Single : A 81 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.5!) USER MOD Single : A 84 HIS : no HD1:sc= -0.359 K(o=-0.36,f=-1.6) USER MOD Single : A 87 TYR OH : rot -46:sc= -3.77! USER MOD Single : A 88 MET CE :methyl -153:sc= -0.334 (180deg=-1.39!) USER MOD Single : A 98 THR OG1 : rot 171:sc= -0.949 USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= -0.0483 (180deg=-0.296) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 111 LYS NZ :NH3+ 158:sc= 0.999 (180deg=0.524) USER MOD Single : A 112 GLN : amide:sc= -0.796 X(o=-0.8,f=-1.1) USER MOD Single : A 115 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -2.422 -3.806 -5.061 1.00 74.53 N ATOM 41 CA GLU A 4 -3.441 -3.847 -6.104 1.00 44.43 C ATOM 42 C GLU A 4 -4.134 -5.206 -6.135 1.00 72.00 C ATOM 43 O GLU A 4 -5.309 -5.309 -6.491 1.00 41.22 O ATOM 44 CB GLU A 4 -2.818 -3.548 -7.469 1.00 55.41 C ATOM 45 CG GLU A 4 -3.834 -3.459 -8.595 1.00 51.52 C ATOM 46 CD GLU A 4 -4.150 -4.811 -9.203 1.00 0.52 C ATOM 47 OE1 GLU A 4 -3.199 -5.545 -9.548 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -5.349 -5.138 -9.335 1.00 44.14 O ATOM 0 HA GLU A 4 -4.186 -3.084 -5.878 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -2.270 -2.608 -7.411 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -2.092 -4.326 -7.706 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -4.753 -3.012 -8.216 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -3.453 -2.796 -9.371 1.00 51.52 H new ATOM 55 N LEU A 5 -3.399 -6.247 -5.760 1.00 43.24 N ATOM 56 CA LEU A 5 -3.941 -7.601 -5.745 1.00 13.32 C ATOM 57 C LEU A 5 -5.224 -7.664 -4.922 1.00 63.44 C ATOM 58 O LEU A 5 -6.146 -8.413 -5.247 1.00 51.25 O ATOM 59 CB LEU A 5 -2.910 -8.578 -5.179 1.00 63.32 C ATOM 60 CG LEU A 5 -2.699 -8.530 -3.665 1.00 2.52 C ATOM 61 CD1 LEU A 5 -1.930 -9.754 -3.194 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.969 -7.254 -3.269 1.00 74.41 C ATOM 0 H LEU A 5 -2.426 -6.179 -5.462 1.00 43.24 H new ATOM 0 HA LEU A 5 -4.175 -7.884 -6.771 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -3.210 -9.590 -5.452 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.953 -8.387 -5.665 1.00 63.32 H new ATOM 0 HG LEU A 5 -3.676 -8.532 -3.181 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -1.789 -9.702 -2.114 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -2.491 -10.655 -3.444 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -0.958 -9.784 -3.685 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.827 -7.236 -2.188 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.998 -7.222 -3.763 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -2.559 -6.389 -3.572 1.00 74.41 H new ATOM 74 N LEU A 6 -5.277 -6.873 -3.856 1.00 10.52 N ATOM 75 CA LEU A 6 -6.448 -6.837 -2.988 1.00 13.21 C ATOM 76 C LEU A 6 -7.671 -6.327 -3.743 1.00 51.12 C ATOM 77 O LEU A 6 -8.771 -6.860 -3.595 1.00 73.12 O ATOM 78 CB LEU A 6 -6.178 -5.949 -1.772 1.00 44.03 C ATOM 79 CG LEU A 6 -4.953 -6.313 -0.933 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.729 -5.281 0.161 1.00 31.20 C ATOM 81 CD2 LEU A 6 -5.112 -7.703 -0.333 1.00 22.10 C ATOM 0 H LEU A 6 -4.522 -6.248 -3.572 1.00 10.52 H new ATOM 0 HA LEU A 6 -6.651 -7.853 -2.651 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -6.065 -4.921 -2.116 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -7.056 -5.975 -1.127 1.00 44.03 H new ATOM 0 HG LEU A 6 -4.079 -6.317 -1.584 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.853 -5.557 0.748 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -4.570 -4.301 -0.290 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -5.604 -5.244 0.811 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -4.231 -7.946 0.261 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.996 -7.725 0.304 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -5.223 -8.434 -1.134 1.00 22.10 H new ATOM 93 N ASP A 7 -7.471 -5.294 -4.554 1.00 4.52 N ATOM 94 CA ASP A 7 -8.557 -4.713 -5.335 1.00 25.12 C ATOM 95 C ASP A 7 -8.962 -5.642 -6.476 1.00 33.21 C ATOM 96 O ASP A 7 -10.113 -5.642 -6.911 1.00 24.02 O ATOM 97 CB ASP A 7 -8.140 -3.352 -5.893 1.00 34.32 C ATOM 98 CG ASP A 7 -9.318 -2.413 -6.069 1.00 10.52 C ATOM 99 OD1 ASP A 7 -10.036 -2.545 -7.081 1.00 22.32 O1- ATOM 100 OD2 ASP A 7 -9.522 -1.546 -5.193 1.00 34.22 O ATOM 0 H ASP A 7 -6.567 -4.842 -4.688 1.00 4.52 H new ATOM 0 HA ASP A 7 -9.415 -4.580 -4.676 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -7.412 -2.895 -5.223 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -7.644 -3.493 -6.854 1.00 34.32 H new ATOM 105 N ALA A 8 -8.007 -6.432 -6.956 1.00 74.43 N ATOM 106 CA ALA A 8 -8.265 -7.366 -8.045 1.00 44.45 C ATOM 107 C ALA A 8 -9.433 -8.289 -7.712 1.00 72.11 C ATOM 108 O ALA A 8 -10.380 -8.413 -8.488 1.00 71.43 O ATOM 109 CB ALA A 8 -7.017 -8.180 -8.349 1.00 72.11 C ATOM 0 H ALA A 8 -7.048 -6.444 -6.608 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.533 -6.789 -8.930 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -7.224 -8.873 -9.164 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -6.208 -7.510 -8.639 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.723 -8.741 -7.462 1.00 72.11 H new ATOM 115 N LEU A 9 -9.358 -8.936 -6.554 1.00 65.10 N ATOM 116 CA LEU A 9 -10.409 -9.849 -6.118 1.00 30.43 C ATOM 117 C LEU A 9 -11.760 -9.143 -6.077 1.00 2.51 C ATOM 118 O LEU A 9 -12.778 -9.702 -6.485 1.00 14.11 O ATOM 119 CB LEU A 9 -10.075 -10.420 -4.738 1.00 54.45 C ATOM 120 CG LEU A 9 -8.674 -11.010 -4.577 1.00 52.20 C ATOM 121 CD1 LEU A 9 -8.131 -10.721 -3.185 1.00 21.41 C ATOM 122 CD2 LEU A 9 -8.692 -12.507 -4.845 1.00 32.24 C ATOM 0 H LEU A 9 -8.580 -8.845 -5.900 1.00 65.10 H new ATOM 0 HA LEU A 9 -10.469 -10.666 -6.837 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -10.201 -9.629 -3.999 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -10.803 -11.196 -4.502 1.00 54.45 H new ATOM 0 HG LEU A 9 -8.015 -10.539 -5.307 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -7.133 -11.148 -3.088 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -8.081 -9.643 -3.030 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -8.790 -11.164 -2.438 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -7.686 -12.910 -4.726 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -9.364 -12.995 -4.139 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -9.038 -12.690 -5.862 1.00 32.24 H new ATOM 134 N THR A 10 -11.763 -7.909 -5.581 1.00 42.42 N ATOM 135 CA THR A 10 -12.989 -7.126 -5.487 1.00 45.22 C ATOM 136 C THR A 10 -13.612 -6.914 -6.861 1.00 33.22 C ATOM 137 O THR A 10 -14.824 -7.050 -7.031 1.00 71.53 O ATOM 138 CB THR A 10 -12.730 -5.754 -4.836 1.00 10.42 C ATOM 139 OG1 THR A 10 -12.231 -5.930 -3.505 1.00 72.25 O ATOM 140 CG2 THR A 10 -14.004 -4.923 -4.799 1.00 62.04 C ATOM 0 H THR A 10 -10.930 -7.431 -5.238 1.00 42.42 H new ATOM 0 HA THR A 10 -13.679 -7.692 -4.862 1.00 45.22 H new ATOM 0 HB THR A 10 -11.988 -5.226 -5.436 1.00 10.42 H new ATOM 0 HG1 THR A 10 -12.067 -5.053 -3.098 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.796 -3.959 -4.335 1.00 62.04 H new ATOM 0 HG22 THR A 10 -14.366 -4.766 -5.815 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.764 -5.448 -4.220 1.00 62.04 H new ATOM 148 N ILE A 11 -12.778 -6.579 -7.840 1.00 32.10 N ATOM 149 CA ILE A 11 -13.248 -6.350 -9.200 1.00 21.23 C ATOM 150 C ILE A 11 -14.051 -7.542 -9.712 1.00 62.33 C ATOM 151 O ILE A 11 -15.042 -7.377 -10.424 1.00 65.32 O ATOM 152 CB ILE A 11 -12.077 -6.081 -10.163 1.00 71.24 C ATOM 153 CG1 ILE A 11 -11.292 -4.847 -9.714 1.00 53.43 C ATOM 154 CG2 ILE A 11 -12.591 -5.903 -11.584 1.00 64.41 C ATOM 155 CD1 ILE A 11 -9.831 -4.886 -10.104 1.00 14.01 C ATOM 0 H ILE A 11 -11.773 -6.460 -7.716 1.00 32.10 H new ATOM 0 HA ILE A 11 -13.890 -5.470 -9.168 1.00 21.23 H new ATOM 0 HB ILE A 11 -11.406 -6.940 -10.146 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -11.751 -3.957 -10.145 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -11.368 -4.752 -8.631 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -11.752 -5.714 -12.253 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -13.110 -6.808 -11.899 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -13.280 -5.059 -11.619 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -9.337 -3.980 -9.754 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -9.357 -5.757 -9.651 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -9.746 -4.950 -11.189 1.00 14.01 H new ATOM 167 N LEU A 12 -13.617 -8.742 -9.343 1.00 75.15 N ATOM 168 CA LEU A 12 -14.295 -9.963 -9.764 1.00 35.45 C ATOM 169 C LEU A 12 -15.674 -10.069 -9.121 1.00 52.41 C ATOM 170 O LEU A 12 -16.576 -10.704 -9.667 1.00 23.30 O ATOM 171 CB LEU A 12 -13.455 -11.188 -9.400 1.00 52.11 C ATOM 172 CG LEU A 12 -11.955 -11.082 -9.681 1.00 0.22 C ATOM 173 CD1 LEU A 12 -11.262 -12.403 -9.389 1.00 0.53 C ATOM 174 CD2 LEU A 12 -11.712 -10.656 -11.122 1.00 60.44 C ATOM 0 H LEU A 12 -12.799 -8.896 -8.753 1.00 75.15 H new ATOM 0 HA LEU A 12 -14.420 -9.925 -10.846 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -13.592 -11.395 -8.339 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -13.846 -12.047 -9.945 1.00 52.11 H new ATOM 0 HG LEU A 12 -11.534 -10.322 -9.022 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -10.196 -12.308 -9.595 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -11.407 -12.666 -8.341 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -11.685 -13.183 -10.021 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -10.640 -10.586 -11.305 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -12.148 -11.392 -11.797 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -12.174 -9.685 -11.297 1.00 60.44 H new ATOM 186 N GLU A 13 -15.830 -9.440 -7.960 1.00 2.20 N ATOM 187 CA GLU A 13 -17.100 -9.462 -7.245 1.00 73.44 C ATOM 188 C GLU A 13 -18.229 -8.933 -8.124 1.00 24.32 C ATOM 189 O GLU A 13 -19.391 -9.305 -7.954 1.00 32.15 O ATOM 190 CB GLU A 13 -17.004 -8.630 -5.964 1.00 53.14 C ATOM 191 CG GLU A 13 -17.901 -9.132 -4.844 1.00 32.32 C ATOM 192 CD GLU A 13 -19.361 -8.793 -5.069 1.00 22.03 C ATOM 193 OE1 GLU A 13 -19.648 -7.649 -5.478 1.00 34.44 O1- ATOM 194 OE2 GLU A 13 -20.216 -9.673 -4.837 1.00 5.24 O ATOM 0 H GLU A 13 -15.093 -8.910 -7.495 1.00 2.20 H new ATOM 0 HA GLU A 13 -17.322 -10.496 -6.983 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -15.970 -8.629 -5.618 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -17.265 -7.596 -6.192 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -17.793 -10.213 -4.754 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -17.573 -8.699 -3.899 1.00 32.32 H new ATOM 201 N LYS A 14 -17.881 -8.061 -9.064 1.00 41.41 N ATOM 202 CA LYS A 14 -18.862 -7.479 -9.971 1.00 53.15 C ATOM 203 C LYS A 14 -19.719 -8.566 -10.616 1.00 32.03 C ATOM 204 O LYS A 14 -20.888 -8.344 -10.926 1.00 33.02 O ATOM 205 CB LYS A 14 -18.162 -6.658 -11.055 1.00 52.04 C ATOM 206 CG LYS A 14 -19.121 -5.914 -11.969 1.00 23.23 C ATOM 207 CD LYS A 14 -19.357 -4.491 -11.490 1.00 74.34 C ATOM 208 CE LYS A 14 -20.603 -4.396 -10.624 1.00 0.54 C ATOM 209 NZ LYS A 14 -21.836 -4.742 -11.384 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.925 -7.741 -9.217 1.00 41.41 H new ATOM 0 HA LYS A 14 -19.512 -6.824 -9.391 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -17.494 -5.939 -10.580 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -17.540 -7.321 -11.657 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -18.719 -5.896 -12.982 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -20.071 -6.447 -12.012 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -18.491 -4.148 -10.923 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -19.458 -3.828 -12.350 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -20.503 -5.066 -9.770 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -20.693 -3.385 -10.227 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -22.661 -4.310 -10.922 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -21.756 -4.383 -12.357 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -21.952 -5.775 -11.405 1.00 44.11 H new ATOM 223 N GLU A 15 -19.127 -9.740 -10.812 1.00 31.13 N ATOM 224 CA GLU A 15 -19.837 -10.860 -11.419 1.00 10.21 C ATOM 225 C GLU A 15 -20.624 -11.638 -10.368 1.00 74.31 C ATOM 226 O GLU A 15 -20.243 -11.685 -9.199 1.00 23.34 O ATOM 227 CB GLU A 15 -18.852 -11.792 -12.129 1.00 45.25 C ATOM 228 CG GLU A 15 -19.527 -12.906 -12.913 1.00 55.15 C ATOM 229 CD GLU A 15 -20.343 -12.386 -14.079 1.00 24.20 C ATOM 230 OE1 GLU A 15 -21.494 -11.957 -13.852 1.00 50.25 O1- ATOM 231 OE2 GLU A 15 -19.833 -12.410 -15.219 1.00 1.53 O ATOM 0 H GLU A 15 -18.159 -9.940 -10.560 1.00 31.13 H new ATOM 0 HA GLU A 15 -20.539 -10.460 -12.151 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -18.233 -11.205 -12.807 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -18.184 -12.233 -11.389 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -18.769 -13.595 -13.284 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -20.175 -13.474 -12.245 1.00 55.15 H new ATOM 238 N LYS A 16 -21.725 -12.248 -10.795 1.00 54.02 N ATOM 239 CA LYS A 16 -22.568 -13.025 -9.894 1.00 15.32 C ATOM 240 C LYS A 16 -22.019 -14.437 -9.719 1.00 60.10 C ATOM 241 O LYS A 16 -21.416 -14.997 -10.633 1.00 20.10 O ATOM 242 CB LYS A 16 -24.001 -13.085 -10.427 1.00 20.41 C ATOM 243 CG LYS A 16 -24.923 -13.960 -9.596 1.00 32.52 C ATOM 244 CD LYS A 16 -24.947 -15.390 -10.108 1.00 20.11 C ATOM 245 CE LYS A 16 -26.335 -16.001 -9.992 1.00 73.12 C ATOM 246 NZ LYS A 16 -26.582 -17.022 -11.047 1.00 30.23 N1+ ATOM 0 H LYS A 16 -22.054 -12.219 -11.760 1.00 54.02 H new ATOM 0 HA LYS A 16 -22.570 -12.532 -8.922 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -24.409 -12.075 -10.464 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -23.984 -13.459 -11.451 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -24.596 -13.950 -8.556 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -25.932 -13.549 -9.616 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -24.626 -15.410 -11.149 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -24.235 -15.992 -9.543 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -26.449 -16.459 -9.010 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -27.085 -15.214 -10.066 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -27.538 -17.414 -10.933 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -26.498 -16.580 -11.985 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -25.882 -17.786 -10.961 1.00 30.23 H new ATOM 260 N GLY A 17 -22.233 -15.008 -8.537 1.00 53.14 N ATOM 261 CA GLY A 17 -21.755 -16.351 -8.265 1.00 1.24 C ATOM 262 C GLY A 17 -20.254 -16.477 -8.433 1.00 24.31 C ATOM 263 O GLY A 17 -19.778 -17.226 -9.286 1.00 30.33 O ATOM 0 H GLY A 17 -22.729 -14.565 -7.764 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -22.029 -16.632 -7.248 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -22.253 -17.053 -8.934 1.00 1.24 H new ATOM 267 N ILE A 18 -19.505 -15.741 -7.618 1.00 51.44 N ATOM 268 CA ILE A 18 -18.049 -15.773 -7.680 1.00 32.50 C ATOM 269 C ILE A 18 -17.449 -16.158 -6.333 1.00 3.32 C ATOM 270 O ILE A 18 -18.068 -15.959 -5.287 1.00 25.41 O ATOM 271 CB ILE A 18 -17.474 -14.413 -8.116 1.00 45.15 C ATOM 272 CG1 ILE A 18 -18.286 -13.840 -9.281 1.00 2.33 C ATOM 273 CG2 ILE A 18 -16.010 -14.556 -8.504 1.00 34.32 C ATOM 274 CD1 ILE A 18 -18.219 -14.683 -10.535 1.00 3.12 C ATOM 0 H ILE A 18 -19.883 -15.115 -6.907 1.00 51.44 H new ATOM 0 HA ILE A 18 -17.782 -16.526 -8.422 1.00 32.50 H new ATOM 0 HB ILE A 18 -17.541 -13.722 -7.276 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -19.327 -13.742 -8.974 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -17.924 -12.837 -9.507 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -15.618 -13.586 -8.810 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -15.442 -14.924 -7.650 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -15.920 -15.261 -9.331 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -18.817 -14.218 -11.319 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -17.183 -14.761 -10.866 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -18.608 -15.679 -10.325 1.00 3.12 H new ATOM 286 N SER A 19 -16.240 -16.708 -6.365 1.00 72.20 N ATOM 287 CA SER A 19 -15.556 -17.122 -5.146 1.00 5.03 C ATOM 288 C SER A 19 -14.114 -16.625 -5.135 1.00 10.11 C ATOM 289 O SER A 19 -13.216 -17.273 -5.674 1.00 55.41 O ATOM 290 CB SER A 19 -15.582 -18.647 -5.013 1.00 70.31 C ATOM 291 OG SER A 19 -16.835 -19.094 -4.523 1.00 12.11 O ATOM 0 H SER A 19 -15.714 -16.877 -7.222 1.00 72.20 H new ATOM 0 HA SER A 19 -16.080 -16.681 -4.298 1.00 5.03 H new ATOM 0 HB2 SER A 19 -15.383 -19.103 -5.983 1.00 70.31 H new ATOM 0 HB3 SER A 19 -14.788 -18.970 -4.340 1.00 70.31 H new ATOM 0 HG SER A 19 -16.827 -20.071 -4.448 1.00 12.11 H new ATOM 297 N LYS A 20 -13.898 -15.468 -4.518 1.00 21.45 N ATOM 298 CA LYS A 20 -12.565 -14.881 -4.435 1.00 74.43 C ATOM 299 C LYS A 20 -11.671 -15.693 -3.505 1.00 44.01 C ATOM 300 O LYS A 20 -10.445 -15.604 -3.573 1.00 62.25 O ATOM 301 CB LYS A 20 -12.652 -13.435 -3.944 1.00 25.14 C ATOM 302 CG LYS A 20 -13.188 -13.305 -2.528 1.00 31.04 C ATOM 303 CD LYS A 20 -12.653 -12.059 -1.842 1.00 45.33 C ATOM 304 CE LYS A 20 -13.056 -10.796 -2.587 1.00 73.32 C ATOM 305 NZ LYS A 20 -14.534 -10.692 -2.745 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.629 -14.918 -4.068 1.00 21.45 H new ATOM 0 HA LYS A 20 -12.127 -14.893 -5.433 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.661 -12.984 -3.991 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -13.293 -12.869 -4.620 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -14.277 -13.269 -2.552 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -12.911 -14.187 -1.951 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -13.029 -12.015 -0.820 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -11.566 -12.115 -1.780 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -12.686 -9.923 -2.049 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -12.584 -10.788 -3.570 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -14.781 -9.741 -3.087 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -14.861 -11.402 -3.431 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -14.994 -10.860 -1.828 1.00 24.23 H new ATOM 319 N GLU A 21 -12.291 -16.485 -2.636 1.00 64.52 N ATOM 320 CA GLU A 21 -11.549 -17.313 -1.692 1.00 11.33 C ATOM 321 C GLU A 21 -10.546 -18.203 -2.420 1.00 34.03 C ATOM 322 O GLU A 21 -9.427 -18.407 -1.950 1.00 42.53 O ATOM 323 CB GLU A 21 -12.510 -18.174 -0.871 1.00 34.13 C ATOM 324 CG GLU A 21 -13.669 -17.395 -0.273 1.00 74.01 C ATOM 325 CD GLU A 21 -14.174 -18.000 1.022 1.00 20.11 C ATOM 326 OE1 GLU A 21 -13.471 -17.880 2.047 1.00 42.41 O1- ATOM 327 OE2 GLU A 21 -15.272 -18.595 1.011 1.00 12.41 O ATOM 0 H GLU A 21 -13.305 -16.571 -2.566 1.00 64.52 H new ATOM 0 HA GLU A 21 -11.001 -16.652 -1.021 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -12.906 -18.967 -1.506 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -11.955 -18.657 -0.067 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -13.355 -16.367 -0.091 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -14.486 -17.356 -0.994 1.00 74.01 H new ATOM 334 N ILE A 22 -10.956 -18.728 -3.570 1.00 11.12 N ATOM 335 CA ILE A 22 -10.094 -19.595 -4.363 1.00 52.11 C ATOM 336 C ILE A 22 -9.066 -18.782 -5.144 1.00 5.14 C ATOM 337 O ILE A 22 -7.940 -19.231 -5.360 1.00 62.02 O ATOM 338 CB ILE A 22 -10.910 -20.452 -5.348 1.00 23.14 C ATOM 339 CG1 ILE A 22 -11.923 -21.314 -4.590 1.00 11.11 C ATOM 340 CG2 ILE A 22 -9.985 -21.324 -6.185 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.301 -21.313 -5.213 1.00 40.42 C ATOM 0 H ILE A 22 -11.879 -18.568 -3.973 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.578 -20.253 -3.663 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.456 -19.788 -6.018 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -11.554 -22.339 -4.544 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -11.997 -20.956 -3.563 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -10.577 -21.924 -6.876 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.300 -20.691 -6.749 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.415 -21.983 -5.530 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -13.967 -21.944 -4.624 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.690 -20.295 -5.234 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -13.241 -21.699 -6.230 1.00 40.42 H new ATOM 353 N ILE A 23 -9.461 -17.585 -5.562 1.00 13.43 N ATOM 354 CA ILE A 23 -8.573 -16.709 -6.316 1.00 72.34 C ATOM 355 C ILE A 23 -7.272 -16.462 -5.560 1.00 55.40 C ATOM 356 O ILE A 23 -6.191 -16.459 -6.149 1.00 31.34 O ATOM 357 CB ILE A 23 -9.242 -15.356 -6.620 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.560 -15.570 -7.367 1.00 1.43 C ATOM 359 CG2 ILE A 23 -8.306 -14.471 -7.430 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.380 -16.114 -8.766 1.00 34.01 C ATOM 0 H ILE A 23 -10.390 -17.199 -5.392 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.353 -17.216 -7.256 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.458 -14.855 -5.676 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -11.184 -16.257 -6.796 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -11.096 -14.622 -7.421 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.794 -13.518 -7.637 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.391 -14.295 -6.864 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -8.061 -14.965 -8.370 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -11.356 -16.241 -9.235 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.782 -15.417 -9.353 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.872 -17.077 -8.719 1.00 34.01 H new ATOM 372 N ILE A 24 -7.384 -16.256 -4.252 1.00 51.31 N ATOM 373 CA ILE A 24 -6.217 -16.011 -3.415 1.00 74.21 C ATOM 374 C ILE A 24 -5.166 -17.098 -3.606 1.00 44.54 C ATOM 375 O ILE A 24 -3.968 -16.816 -3.655 1.00 32.23 O ATOM 376 CB ILE A 24 -6.598 -15.937 -1.924 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.533 -14.753 -1.672 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.349 -15.826 -1.063 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.892 -15.156 -1.147 1.00 31.23 C ATOM 0 H ILE A 24 -8.272 -16.254 -3.749 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.804 -15.051 -3.724 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.122 -16.853 -1.652 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -7.064 -14.076 -0.959 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.662 -14.198 -2.601 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.635 -15.775 -0.012 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.717 -16.699 -1.225 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.799 -14.925 -1.334 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.501 -14.265 -0.992 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.382 -15.809 -1.869 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -8.775 -15.685 -0.201 1.00 31.23 H new ATOM 391 N GLU A 25 -5.621 -18.342 -3.714 1.00 72.53 N ATOM 392 CA GLU A 25 -4.720 -19.472 -3.902 1.00 43.13 C ATOM 393 C GLU A 25 -4.004 -19.381 -5.246 1.00 2.50 C ATOM 394 O GLU A 25 -2.885 -19.869 -5.401 1.00 34.42 O ATOM 395 CB GLU A 25 -5.491 -20.790 -3.812 1.00 73.04 C ATOM 396 CG GLU A 25 -6.287 -20.942 -2.526 1.00 44.41 C ATOM 397 CD GLU A 25 -6.584 -22.391 -2.191 1.00 73.01 C ATOM 398 OE1 GLU A 25 -6.702 -23.205 -3.130 1.00 32.20 O ATOM 399 OE2 GLU A 25 -6.697 -22.710 -0.989 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.609 -18.593 -3.674 1.00 72.53 H new ATOM 0 HA GLU A 25 -3.973 -19.441 -3.109 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.171 -20.862 -4.661 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -4.788 -21.619 -3.895 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -5.732 -20.489 -1.704 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.225 -20.394 -2.617 1.00 44.41 H new ATOM 406 N ALA A 26 -4.660 -18.752 -6.217 1.00 1.41 N ATOM 407 CA ALA A 26 -4.087 -18.595 -7.548 1.00 44.13 C ATOM 408 C ALA A 26 -2.877 -17.667 -7.519 1.00 13.13 C ATOM 409 O ALA A 26 -1.895 -17.890 -8.228 1.00 24.00 O ATOM 410 CB ALA A 26 -5.137 -18.067 -8.515 1.00 14.40 C ATOM 0 H ALA A 26 -5.588 -18.343 -6.106 1.00 1.41 H new ATOM 0 HA ALA A 26 -3.752 -19.574 -7.891 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.696 -17.954 -9.505 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -5.970 -18.768 -8.566 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.499 -17.099 -8.167 1.00 14.40 H new ATOM 416 N ILE A 27 -2.955 -16.626 -6.697 1.00 44.10 N ATOM 417 CA ILE A 27 -1.866 -15.665 -6.577 1.00 13.45 C ATOM 418 C ILE A 27 -0.617 -16.320 -5.997 1.00 13.44 C ATOM 419 O ILE A 27 0.458 -16.264 -6.593 1.00 54.42 O ATOM 420 CB ILE A 27 -2.264 -14.471 -5.690 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.196 -13.528 -6.454 1.00 25.54 C ATOM 422 CG2 ILE A 27 -1.025 -13.728 -5.212 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.654 -13.922 -6.372 1.00 74.33 C ATOM 0 H ILE A 27 -3.761 -16.427 -6.104 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.651 -15.304 -7.583 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.796 -14.849 -4.817 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -3.078 -12.518 -6.062 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -2.894 -13.501 -7.501 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -1.324 -12.887 -4.586 1.00 13.51 H new ATOM 0 HG22 ILE A 27 -0.395 -14.405 -4.634 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.467 -13.360 -6.073 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.256 -13.209 -6.936 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.785 -14.920 -6.791 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.973 -13.921 -5.330 1.00 74.33 H new ATOM 435 N GLU A 28 -0.768 -16.942 -4.832 1.00 54.21 N ATOM 436 CA GLU A 28 0.350 -17.609 -4.172 1.00 54.51 C ATOM 437 C GLU A 28 0.887 -18.748 -5.032 1.00 43.41 C ATOM 438 O GLU A 28 2.098 -18.935 -5.147 1.00 43.02 O ATOM 439 CB GLU A 28 -0.083 -18.147 -2.806 1.00 64.12 C ATOM 440 CG GLU A 28 -1.429 -18.851 -2.828 1.00 40.22 C ATOM 441 CD GLU A 28 -1.717 -19.599 -1.540 1.00 51.43 C ATOM 442 OE1 GLU A 28 -2.296 -18.990 -0.617 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -1.362 -20.794 -1.458 1.00 63.03 O ATOM 0 H GLU A 28 -1.652 -16.998 -4.326 1.00 54.21 H new ATOM 0 HA GLU A 28 1.145 -16.877 -4.031 1.00 54.51 H new ATOM 0 HB2 GLU A 28 0.675 -18.841 -2.441 1.00 64.12 H new ATOM 0 HB3 GLU A 28 -0.126 -17.321 -2.097 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -2.216 -18.117 -3.001 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.456 -19.550 -3.664 1.00 40.22 H new ATOM 450 N ALA A 29 -0.022 -19.508 -5.634 1.00 30.04 N ATOM 451 CA ALA A 29 0.359 -20.628 -6.485 1.00 12.54 C ATOM 452 C ALA A 29 1.290 -20.175 -7.605 1.00 13.03 C ATOM 453 O ALA A 29 2.127 -20.943 -8.077 1.00 61.31 O ATOM 454 CB ALA A 29 -0.879 -21.297 -7.063 1.00 31.13 C ATOM 0 H ALA A 29 -1.029 -19.368 -5.548 1.00 30.04 H new ATOM 0 HA ALA A 29 0.896 -21.351 -5.872 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.579 -22.132 -7.697 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.506 -21.665 -6.251 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.440 -20.574 -7.656 1.00 31.13 H new ATOM 460 N ALA A 30 1.137 -18.923 -8.025 1.00 53.23 N ATOM 461 CA ALA A 30 1.966 -18.368 -9.088 1.00 23.45 C ATOM 462 C ALA A 30 3.364 -18.034 -8.577 1.00 61.02 C ATOM 463 O ALA A 30 4.364 -18.367 -9.216 1.00 51.44 O ATOM 464 CB ALA A 30 1.306 -17.129 -9.677 1.00 32.41 C ATOM 0 H ALA A 30 0.447 -18.275 -7.646 1.00 53.23 H new ATOM 0 HA ALA A 30 2.065 -19.121 -9.870 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.935 -16.724 -10.470 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.332 -17.396 -10.087 1.00 32.41 H new ATOM 0 HB3 ALA A 30 1.178 -16.379 -8.896 1.00 32.41 H new ATOM 470 N LEU A 31 3.426 -17.376 -7.425 1.00 5.35 N ATOM 471 CA LEU A 31 4.702 -16.996 -6.830 1.00 1.23 C ATOM 472 C LEU A 31 5.574 -18.223 -6.583 1.00 21.11 C ATOM 473 O LEU A 31 6.736 -18.263 -6.987 1.00 34.51 O ATOM 474 CB LEU A 31 4.472 -16.247 -5.516 1.00 45.33 C ATOM 475 CG LEU A 31 4.215 -14.745 -5.637 1.00 33.31 C ATOM 476 CD1 LEU A 31 5.374 -14.059 -6.344 1.00 53.12 C ATOM 477 CD2 LEU A 31 2.910 -14.485 -6.376 1.00 43.31 C ATOM 0 H LEU A 31 2.608 -17.095 -6.885 1.00 5.35 H new ATOM 0 HA LEU A 31 5.220 -16.339 -7.529 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.622 -16.701 -5.006 1.00 45.33 H new ATOM 0 HB3 LEU A 31 5.343 -16.396 -4.878 1.00 45.33 H new ATOM 0 HG LEU A 31 4.131 -14.329 -4.633 1.00 33.31 H new ATOM 0 HD11 LEU A 31 5.172 -12.991 -6.421 1.00 53.12 H new ATOM 0 HD12 LEU A 31 6.291 -14.216 -5.776 1.00 53.12 H new ATOM 0 HD13 LEU A 31 5.490 -14.479 -7.343 1.00 53.12 H new ATOM 0 HD21 LEU A 31 2.743 -13.411 -6.453 1.00 43.31 H new ATOM 0 HD22 LEU A 31 2.966 -14.916 -7.376 1.00 43.31 H new ATOM 0 HD23 LEU A 31 2.085 -14.942 -5.829 1.00 43.31 H new ATOM 489 N ILE A 32 5.004 -19.223 -5.917 1.00 24.45 N ATOM 490 CA ILE A 32 5.728 -20.452 -5.619 1.00 71.03 C ATOM 491 C ILE A 32 6.278 -21.089 -6.891 1.00 24.23 C ATOM 492 O ILE A 32 7.400 -21.594 -6.910 1.00 63.05 O ATOM 493 CB ILE A 32 4.831 -21.472 -4.894 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.593 -22.777 -4.657 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.565 -21.731 -5.698 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.026 -23.613 -3.530 1.00 4.22 C ATOM 0 H ILE A 32 4.044 -19.205 -5.574 1.00 24.45 H new ATOM 0 HA ILE A 32 6.556 -20.179 -4.965 1.00 71.03 H new ATOM 0 HB ILE A 32 4.546 -21.059 -3.927 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.584 -23.365 -5.575 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.635 -22.545 -4.437 1.00 22.33 H new ATOM 0 HG21 ILE A 32 2.942 -22.454 -5.172 1.00 41.15 H new ATOM 0 HG22 ILE A 32 3.014 -20.798 -5.820 1.00 41.15 H new ATOM 0 HG23 ILE A 32 3.831 -22.126 -6.678 1.00 41.15 H new ATOM 0 HD11 ILE A 32 5.616 -24.523 -3.419 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.060 -23.043 -2.601 1.00 4.22 H new ATOM 0 HD13 ILE A 32 3.993 -23.876 -3.756 1.00 4.22 H new ATOM 508 N SER A 33 5.480 -21.059 -7.953 1.00 23.51 N ATOM 509 CA SER A 33 5.885 -21.636 -9.230 1.00 62.33 C ATOM 510 C SER A 33 6.976 -20.793 -9.884 1.00 1.44 C ATOM 511 O SER A 33 7.959 -21.324 -10.401 1.00 2.10 O ATOM 512 CB SER A 33 4.681 -21.748 -10.168 1.00 3.21 C ATOM 513 OG SER A 33 5.092 -21.789 -11.523 1.00 24.42 O ATOM 0 H SER A 33 4.549 -20.641 -7.955 1.00 23.51 H new ATOM 0 HA SER A 33 6.283 -22.633 -9.041 1.00 62.33 H new ATOM 0 HB2 SER A 33 4.113 -22.647 -9.930 1.00 3.21 H new ATOM 0 HB3 SER A 33 4.015 -20.899 -10.012 1.00 3.21 H new ATOM 0 HG SER A 33 4.304 -21.862 -12.102 1.00 24.42 H new ATOM 519 N ALA A 34 6.794 -19.477 -9.857 1.00 22.53 N ATOM 520 CA ALA A 34 7.764 -18.561 -10.445 1.00 1.34 C ATOM 521 C ALA A 34 9.133 -18.717 -9.794 1.00 52.14 C ATOM 522 O ALA A 34 10.143 -18.876 -10.480 1.00 62.24 O ATOM 523 CB ALA A 34 7.277 -17.124 -10.316 1.00 23.24 C ATOM 0 H ALA A 34 5.985 -19.022 -9.435 1.00 22.53 H new ATOM 0 HA ALA A 34 7.864 -18.807 -11.502 1.00 1.34 H new ATOM 0 HB1 ALA A 34 8.010 -16.450 -10.759 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.324 -17.015 -10.834 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.147 -16.877 -9.262 1.00 23.24 H new ATOM 529 N TYR A 35 9.160 -18.671 -8.466 1.00 60.44 N ATOM 530 CA TYR A 35 10.407 -18.804 -7.722 1.00 42.44 C ATOM 531 C TYR A 35 10.990 -20.205 -7.884 1.00 40.45 C ATOM 532 O TYR A 35 12.207 -20.381 -7.954 1.00 13.24 O ATOM 533 CB TYR A 35 10.176 -18.504 -6.240 1.00 14.41 C ATOM 534 CG TYR A 35 11.349 -18.868 -5.359 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.476 -20.149 -4.832 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.329 -17.933 -5.051 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.546 -20.486 -4.025 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.403 -18.262 -4.246 1.00 13.02 C ATOM 539 CZ TYR A 35 13.507 -19.539 -3.736 1.00 1.20 C ATOM 540 OH TYR A 35 14.574 -19.870 -2.933 1.00 72.42 O ATOM 0 H TYR A 35 8.333 -18.543 -7.883 1.00 60.44 H new ATOM 0 HA TYR A 35 11.120 -18.084 -8.124 1.00 42.44 H new ATOM 0 HB2 TYR A 35 9.960 -17.442 -6.122 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.295 -19.048 -5.901 1.00 14.41 H new ATOM 0 HD1 TYR A 35 10.726 -20.893 -5.057 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.250 -16.932 -5.448 1.00 31.21 H new ATOM 0 HE1 TYR A 35 12.630 -21.485 -3.623 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.157 -17.523 -4.018 1.00 13.02 H new ATOM 0 HH TYR A 35 15.271 -19.187 -3.018 1.00 72.42 H new ATOM 550 N LYS A 36 10.113 -21.201 -7.943 1.00 5.13 N ATOM 551 CA LYS A 36 10.538 -22.587 -8.098 1.00 11.15 C ATOM 552 C LYS A 36 11.294 -22.781 -9.408 1.00 32.14 C ATOM 553 O LYS A 36 12.225 -23.583 -9.485 1.00 62.43 O ATOM 554 CB LYS A 36 9.326 -23.522 -8.054 1.00 64.34 C ATOM 555 CG LYS A 36 9.026 -24.064 -6.667 1.00 20.30 C ATOM 556 CD LYS A 36 7.907 -25.092 -6.700 1.00 1.42 C ATOM 557 CE LYS A 36 7.605 -25.631 -5.311 1.00 45.53 C ATOM 558 NZ LYS A 36 7.323 -27.093 -5.332 1.00 21.13 N1+ ATOM 0 H LYS A 36 9.103 -21.074 -7.886 1.00 5.13 H new ATOM 0 HA LYS A 36 11.207 -22.830 -7.273 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.451 -22.987 -8.423 1.00 64.34 H new ATOM 0 HB3 LYS A 36 9.498 -24.358 -8.732 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.925 -24.517 -6.250 1.00 20.30 H new ATOM 0 HG3 LYS A 36 8.747 -23.243 -6.007 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.008 -24.640 -7.119 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.187 -25.915 -7.358 1.00 1.42 H new ATOM 0 HE2 LYS A 36 8.451 -25.434 -4.653 1.00 45.53 H new ATOM 0 HE3 LYS A 36 6.748 -25.102 -4.895 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 7.122 -27.422 -4.366 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 6.500 -27.279 -5.939 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 8.150 -27.601 -5.705 1.00 21.13 H new ATOM 572 N ARG A 37 10.890 -22.040 -10.435 1.00 74.25 N ATOM 573 CA ARG A 37 11.531 -22.131 -11.742 1.00 53.51 C ATOM 574 C ARG A 37 13.027 -21.856 -11.634 1.00 13.30 C ATOM 575 O ARG A 37 13.809 -22.274 -12.486 1.00 74.35 O ATOM 576 CB ARG A 37 10.889 -21.143 -12.717 1.00 25.33 C ATOM 577 CG ARG A 37 9.480 -21.531 -13.138 1.00 1.44 C ATOM 578 CD ARG A 37 9.491 -22.411 -14.378 1.00 4.13 C ATOM 579 NE ARG A 37 9.902 -21.674 -15.569 1.00 22.22 N ATOM 580 CZ ARG A 37 9.120 -20.808 -16.204 1.00 71.43 C ATOM 581 NH1 ARG A 37 7.893 -20.572 -15.762 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 9.566 -20.176 -17.282 1.00 43.33 N ATOM 0 H ARG A 37 10.122 -21.370 -10.387 1.00 74.25 H new ATOM 0 HA ARG A 37 11.392 -23.145 -12.118 1.00 53.51 H new ATOM 0 HB2 ARG A 37 10.862 -20.156 -12.256 1.00 25.33 H new ATOM 0 HB3 ARG A 37 11.516 -21.063 -13.605 1.00 25.33 H new ATOM 0 HG2 ARG A 37 8.987 -22.058 -12.321 1.00 1.44 H new ATOM 0 HG3 ARG A 37 8.897 -20.631 -13.334 1.00 1.44 H new ATOM 0 HD2 ARG A 37 10.168 -23.251 -14.220 1.00 4.13 H new ATOM 0 HD3 ARG A 37 8.496 -22.828 -14.535 1.00 4.13 H new ATOM 0 HE ARG A 37 10.841 -21.833 -15.934 1.00 22.22 H new ATOM 0 HH11 ARG A 37 7.548 -21.056 -14.933 1.00 64.15 H new ATOM 0 HH12 ARG A 37 7.294 -19.907 -16.251 1.00 64.15 H new ATOM 0 HH21 ARG A 37 10.510 -20.355 -17.624 1.00 43.33 H new ATOM 0 HH22 ARG A 37 8.965 -19.511 -17.769 1.00 43.33 H new ATOM 596 N ASN A 38 13.419 -21.148 -10.579 1.00 64.14 N ATOM 597 CA ASN A 38 14.822 -20.816 -10.359 1.00 2.44 C ATOM 598 C ASN A 38 15.557 -21.974 -9.691 1.00 62.25 C ATOM 599 O ASN A 38 16.760 -22.154 -9.883 1.00 62.41 O ATOM 600 CB ASN A 38 14.941 -19.557 -9.498 1.00 14.03 C ATOM 601 CG ASN A 38 14.563 -18.300 -10.256 1.00 30.51 C ATOM 602 OD1 ASN A 38 13.328 -18.251 -10.742 1.00 23.41 O flip ATOM 603 ND2 ASN A 38 15.372 -17.383 -10.404 1.00 43.51 N flip ATOM 0 H ASN A 38 12.785 -20.793 -9.863 1.00 64.14 H new ATOM 0 HA ASN A 38 15.282 -20.629 -11.330 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.299 -19.657 -8.623 1.00 14.03 H new ATOM 0 HB3 ASN A 38 15.964 -19.465 -9.134 1.00 14.03 H new ATOM 0 HD21 ASN A 38 16.311 -17.463 -10.013 1.00 43.51 H new ATOM 0 HD22 ASN A 38 15.103 -16.543 -10.917 1.00 43.51 H new ATOM 610 N PHE A 39 14.826 -22.758 -8.906 1.00 74.50 N ATOM 611 CA PHE A 39 15.408 -23.898 -8.208 1.00 13.22 C ATOM 612 C PHE A 39 14.357 -24.976 -7.957 1.00 13.23 C ATOM 613 O PHE A 39 13.927 -25.185 -6.825 1.00 12.23 O ATOM 614 CB PHE A 39 16.024 -23.452 -6.882 1.00 22.33 C ATOM 615 CG PHE A 39 17.235 -22.578 -7.047 1.00 63.55 C ATOM 616 CD1 PHE A 39 18.387 -23.070 -7.638 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.220 -21.262 -6.610 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.502 -22.268 -7.792 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.332 -20.456 -6.761 1.00 73.20 C ATOM 620 CZ PHE A 39 19.474 -20.960 -7.351 1.00 41.30 C ATOM 0 H PHE A 39 13.829 -22.625 -8.737 1.00 74.50 H new ATOM 0 HA PHE A 39 16.191 -24.318 -8.840 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.273 -22.913 -6.305 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.298 -24.334 -6.303 1.00 22.33 H new ATOM 0 HD1 PHE A 39 18.414 -24.093 -7.983 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.330 -20.863 -6.147 1.00 1.45 H new ATOM 0 HE1 PHE A 39 20.393 -22.664 -8.256 1.00 20.44 H new ATOM 0 HE2 PHE A 39 18.308 -19.432 -6.418 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.345 -20.332 -7.467 1.00 41.30 H new ATOM 630 N ASN A 40 13.949 -25.657 -9.024 1.00 5.11 N ATOM 631 CA ASN A 40 12.949 -26.712 -8.920 1.00 31.44 C ATOM 632 C ASN A 40 13.559 -27.985 -8.343 1.00 13.21 C ATOM 633 O ASN A 40 13.109 -28.488 -7.312 1.00 10.21 O ATOM 634 CB ASN A 40 12.339 -27.002 -10.293 1.00 21.11 C ATOM 635 CG ASN A 40 11.269 -28.076 -10.235 1.00 35.33 C ATOM 636 OD1 ASN A 40 10.764 -28.407 -9.164 1.00 34.12 O ATOM 637 ND2 ASN A 40 10.921 -28.626 -11.393 1.00 33.42 N ATOM 0 H ASN A 40 14.296 -25.496 -9.970 1.00 5.11 H new ATOM 0 HA ASN A 40 12.164 -26.369 -8.246 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.909 -26.086 -10.697 1.00 21.11 H new ATOM 0 HB3 ASN A 40 13.127 -27.314 -10.979 1.00 21.11 H new ATOM 0 HD21 ASN A 40 10.208 -29.355 -11.418 1.00 33.42 H new ATOM 0 HD22 ASN A 40 11.367 -28.320 -12.258 1.00 33.42 H new ATOM 644 N GLN A 41 14.584 -28.501 -9.013 1.00 42.41 N ATOM 645 CA GLN A 41 15.255 -29.715 -8.566 1.00 32.21 C ATOM 646 C GLN A 41 16.395 -29.386 -7.608 1.00 10.23 C ATOM 647 O GLN A 41 17.200 -30.252 -7.264 1.00 2.54 O ATOM 648 CB GLN A 41 15.791 -30.498 -9.766 1.00 24.30 C ATOM 649 CG GLN A 41 16.685 -29.675 -10.679 1.00 23.03 C ATOM 650 CD GLN A 41 17.371 -30.516 -11.737 1.00 60.23 C ATOM 651 OE1 GLN A 41 16.719 -31.084 -12.613 1.00 25.31 O ATOM 652 NE2 GLN A 41 18.694 -30.599 -11.661 1.00 53.52 N ATOM 0 H GLN A 41 14.968 -28.097 -9.867 1.00 42.41 H new ATOM 0 HA GLN A 41 14.526 -30.329 -8.037 1.00 32.21 H new ATOM 0 HB2 GLN A 41 16.350 -31.361 -9.406 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.950 -30.882 -10.344 1.00 24.30 H new ATOM 0 HG2 GLN A 41 16.089 -28.902 -11.165 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.440 -29.166 -10.080 1.00 23.03 H new ATOM 0 HE21 GLN A 41 19.194 -30.111 -10.917 1.00 53.52 H new ATOM 0 HE22 GLN A 41 19.211 -31.150 -12.346 1.00 53.52 H new ATOM 661 N ALA A 42 16.459 -28.129 -7.181 1.00 53.10 N ATOM 662 CA ALA A 42 17.500 -27.686 -6.261 1.00 45.11 C ATOM 663 C ALA A 42 17.003 -27.706 -4.819 1.00 30.22 C ATOM 664 O ALA A 42 17.752 -28.039 -3.901 1.00 53.42 O ATOM 665 CB ALA A 42 17.977 -26.291 -6.638 1.00 52.01 C ATOM 0 H ALA A 42 15.802 -27.399 -7.457 1.00 53.10 H new ATOM 0 HA ALA A 42 18.338 -28.378 -6.338 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.754 -25.972 -5.943 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.379 -26.305 -7.651 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.140 -25.595 -6.590 1.00 52.01 H new ATOM 671 N GLN A 43 15.737 -27.349 -4.630 1.00 44.33 N ATOM 672 CA GLN A 43 15.142 -27.325 -3.298 1.00 63.21 C ATOM 673 C GLN A 43 13.679 -26.899 -3.363 1.00 62.24 C ATOM 674 O GLN A 43 13.309 -26.036 -4.158 1.00 74.55 O ATOM 675 CB GLN A 43 15.922 -26.376 -2.385 1.00 72.12 C ATOM 676 CG GLN A 43 16.100 -26.903 -0.971 1.00 43.55 C ATOM 677 CD GLN A 43 16.295 -25.794 0.045 1.00 74.41 C ATOM 678 OE1 GLN A 43 15.332 -25.639 0.945 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 17.301 -25.084 0.020 1.00 50.05 N flip ATOM 0 H GLN A 43 15.104 -27.073 -5.381 1.00 44.33 H new ATOM 0 HA GLN A 43 15.190 -28.334 -2.888 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.904 -26.190 -2.821 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.405 -25.417 -2.344 1.00 72.12 H new ATOM 0 HG2 GLN A 43 15.227 -27.494 -0.695 1.00 43.55 H new ATOM 0 HG3 GLN A 43 16.960 -27.572 -0.942 1.00 43.55 H new ATOM 0 HE21 GLN A 43 18.017 -25.238 -0.690 1.00 50.05 H new ATOM 0 HE22 GLN A 43 17.418 -24.342 0.709 1.00 50.05 H new ATOM 688 N ASN A 44 12.852 -27.512 -2.523 1.00 61.24 N ATOM 689 CA ASN A 44 11.428 -27.196 -2.485 1.00 5.03 C ATOM 690 C ASN A 44 11.196 -25.798 -1.920 1.00 45.14 C ATOM 691 O ASN A 44 12.144 -25.076 -1.610 1.00 15.42 O ATOM 692 CB ASN A 44 10.678 -28.230 -1.643 1.00 2.54 C ATOM 693 CG ASN A 44 11.037 -28.148 -0.172 1.00 33.50 C ATOM 694 OD1 ASN A 44 11.964 -27.436 0.214 1.00 53.44 O ATOM 695 ND2 ASN A 44 10.302 -28.879 0.658 1.00 2.43 N ATOM 0 H ASN A 44 13.143 -28.230 -1.860 1.00 61.24 H new ATOM 0 HA ASN A 44 11.047 -27.223 -3.506 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.605 -28.081 -1.761 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.904 -29.230 -2.014 1.00 2.54 H new ATOM 0 HD21 ASN A 44 10.497 -28.864 1.659 1.00 2.43 H new ATOM 0 HD22 ASN A 44 9.543 -29.455 0.294 1.00 2.43 H new ATOM 702 N VAL A 45 9.927 -25.422 -1.790 1.00 44.30 N ATOM 703 CA VAL A 45 9.569 -24.112 -1.262 1.00 71.11 C ATOM 704 C VAL A 45 8.060 -23.986 -1.083 1.00 24.13 C ATOM 705 O VAL A 45 7.285 -24.661 -1.760 1.00 24.45 O ATOM 706 CB VAL A 45 10.062 -22.980 -2.183 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.279 -22.975 -3.488 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.953 -21.635 -1.481 1.00 21.34 C ATOM 0 H VAL A 45 9.131 -26.007 -2.043 1.00 44.30 H new ATOM 0 HA VAL A 45 10.057 -24.018 -0.292 1.00 71.11 H new ATOM 0 HB VAL A 45 11.112 -23.157 -2.417 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.641 -22.169 -4.126 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.414 -23.929 -3.997 1.00 23.33 H new ATOM 0 HG13 VAL A 45 8.221 -22.823 -3.277 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.306 -20.847 -2.147 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.913 -21.447 -1.215 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.562 -21.646 -0.577 1.00 21.34 H new ATOM 718 N ARG A 46 7.649 -23.114 -0.166 1.00 33.25 N ATOM 719 CA ARG A 46 6.232 -22.900 0.102 1.00 13.25 C ATOM 720 C ARG A 46 5.947 -21.424 0.367 1.00 35.22 C ATOM 721 O ARG A 46 6.434 -20.851 1.341 1.00 45.34 O ATOM 722 CB ARG A 46 5.786 -23.739 1.301 1.00 60.23 C ATOM 723 CG ARG A 46 6.089 -25.221 1.153 1.00 34.50 C ATOM 724 CD ARG A 46 5.106 -26.072 1.944 1.00 54.54 C ATOM 725 NE ARG A 46 4.770 -27.311 1.246 1.00 74.02 N ATOM 726 CZ ARG A 46 3.719 -28.063 1.551 1.00 73.42 C ATOM 727 NH1 ARG A 46 2.906 -27.705 2.535 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 3.479 -29.176 0.870 1.00 42.44 N ATOM 0 H ARG A 46 8.277 -22.546 0.402 1.00 33.25 H new ATOM 0 HA ARG A 46 5.670 -23.210 -0.779 1.00 13.25 H new ATOM 0 HB2 ARG A 46 6.277 -23.364 2.199 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.714 -23.609 1.446 1.00 60.23 H new ATOM 0 HG2 ARG A 46 6.047 -25.499 0.100 1.00 34.50 H new ATOM 0 HG3 ARG A 46 7.104 -25.422 1.496 1.00 34.50 H new ATOM 0 HD2 ARG A 46 5.534 -26.309 2.918 1.00 54.54 H new ATOM 0 HD3 ARG A 46 4.196 -25.500 2.126 1.00 54.54 H new ATOM 0 HE ARG A 46 5.375 -27.615 0.483 1.00 74.02 H new ATOM 0 HH11 ARG A 46 3.087 -26.850 3.060 1.00 53.11 H new ATOM 0 HH12 ARG A 46 2.100 -28.285 2.767 1.00 53.11 H new ATOM 0 HH21 ARG A 46 4.102 -29.454 0.112 1.00 42.44 H new ATOM 0 HH22 ARG A 46 2.672 -29.753 1.105 1.00 42.44 H new ATOM 742 N VAL A 47 5.154 -20.814 -0.509 1.00 13.15 N ATOM 743 CA VAL A 47 4.803 -19.407 -0.370 1.00 40.55 C ATOM 744 C VAL A 47 3.396 -19.244 0.196 1.00 21.11 C ATOM 745 O VAL A 47 2.527 -20.088 -0.022 1.00 40.40 O ATOM 746 CB VAL A 47 4.889 -18.670 -1.720 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.712 -17.173 -1.525 1.00 73.12 C ATOM 748 CG2 VAL A 47 6.212 -18.975 -2.408 1.00 3.11 C ATOM 0 H VAL A 47 4.743 -21.273 -1.322 1.00 13.15 H new ATOM 0 HA VAL A 47 5.523 -18.969 0.321 1.00 40.55 H new ATOM 0 HB VAL A 47 4.081 -19.025 -2.360 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.776 -16.670 -2.490 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.738 -16.977 -1.078 1.00 73.12 H new ATOM 0 HG13 VAL A 47 5.495 -16.797 -0.867 1.00 73.12 H new ATOM 0 HG21 VAL A 47 6.257 -18.447 -3.360 1.00 3.11 H new ATOM 0 HG22 VAL A 47 7.036 -18.649 -1.773 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.292 -20.048 -2.584 1.00 3.11 H new ATOM 758 N ASP A 48 3.180 -18.153 0.923 1.00 31.11 N ATOM 759 CA ASP A 48 1.877 -17.879 1.520 1.00 72.44 C ATOM 760 C ASP A 48 1.442 -16.444 1.236 1.00 70.23 C ATOM 761 O ASP A 48 2.094 -15.490 1.663 1.00 21.40 O ATOM 762 CB ASP A 48 1.923 -18.123 3.029 1.00 33.25 C ATOM 763 CG ASP A 48 0.567 -18.498 3.595 1.00 71.03 C ATOM 764 OD1 ASP A 48 0.219 -19.697 3.557 1.00 23.12 O ATOM 765 OD2 ASP A 48 -0.146 -17.593 4.077 1.00 32.52 O1- ATOM 0 H ASP A 48 3.889 -17.445 1.113 1.00 31.11 H new ATOM 0 HA ASP A 48 1.149 -18.556 1.073 1.00 72.44 H new ATOM 0 HB2 ASP A 48 2.636 -18.919 3.244 1.00 33.25 H new ATOM 0 HB3 ASP A 48 2.287 -17.225 3.529 1.00 33.25 H new ATOM 770 N LEU A 49 0.337 -16.298 0.515 1.00 24.33 N ATOM 771 CA LEU A 49 -0.186 -14.980 0.173 1.00 74.30 C ATOM 772 C LEU A 49 -1.123 -14.467 1.261 1.00 41.23 C ATOM 773 O LEU A 49 -2.110 -15.119 1.601 1.00 13.24 O ATOM 774 CB LEU A 49 -0.922 -15.033 -1.167 1.00 25.14 C ATOM 775 CG LEU A 49 -1.567 -13.726 -1.631 1.00 4.23 C ATOM 776 CD1 LEU A 49 -2.939 -13.555 -0.999 1.00 52.13 C ATOM 777 CD2 LEU A 49 -0.672 -12.542 -1.296 1.00 21.20 C ATOM 0 H LEU A 49 -0.215 -17.077 0.155 1.00 24.33 H new ATOM 0 HA LEU A 49 0.656 -14.293 0.091 1.00 74.30 H new ATOM 0 HB2 LEU A 49 -0.218 -15.359 -1.933 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.699 -15.795 -1.102 1.00 25.14 H new ATOM 0 HG LEU A 49 -1.691 -13.768 -2.713 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -3.383 -12.620 -1.340 1.00 52.13 H new ATOM 0 HD12 LEU A 49 -3.580 -14.388 -1.289 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -2.840 -13.534 0.086 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -1.146 -11.620 -1.633 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -0.517 -12.497 -0.218 1.00 21.20 H new ATOM 0 HD23 LEU A 49 0.289 -12.659 -1.796 1.00 21.20 H new ATOM 789 N ASN A 50 -0.810 -13.295 1.802 1.00 2.14 N ATOM 790 CA ASN A 50 -1.625 -12.693 2.851 1.00 51.24 C ATOM 791 C ASN A 50 -2.552 -11.626 2.275 1.00 73.32 C ATOM 792 O ASN A 50 -2.134 -10.495 2.028 1.00 30.13 O ATOM 793 CB ASN A 50 -0.732 -12.080 3.931 1.00 23.52 C ATOM 794 CG ASN A 50 -0.252 -13.109 4.937 1.00 61.45 C ATOM 795 OD1 ASN A 50 -0.291 -14.311 4.678 1.00 42.53 O ATOM 796 ND2 ASN A 50 0.204 -12.639 6.092 1.00 44.50 N ATOM 0 H ASN A 50 0.003 -12.742 1.531 1.00 2.14 H new ATOM 0 HA ASN A 50 -2.236 -13.478 3.297 1.00 51.24 H new ATOM 0 HB2 ASN A 50 0.130 -11.606 3.460 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.282 -11.296 4.452 1.00 23.52 H new ATOM 0 HD21 ASN A 50 0.541 -13.283 6.808 1.00 44.50 H new ATOM 0 HD22 ASN A 50 0.218 -11.634 6.264 1.00 44.50 H new ATOM 803 N ARG A 51 -3.810 -11.996 2.064 1.00 0.13 N ATOM 804 CA ARG A 51 -4.797 -11.071 1.517 1.00 51.01 C ATOM 805 C ARG A 51 -5.134 -9.977 2.527 1.00 31.24 C ATOM 806 O ARG A 51 -5.784 -8.988 2.188 1.00 2.24 O ATOM 807 CB ARG A 51 -6.068 -11.824 1.120 1.00 21.12 C ATOM 808 CG ARG A 51 -6.784 -12.472 2.294 1.00 33.14 C ATOM 809 CD ARG A 51 -6.426 -13.945 2.419 1.00 3.53 C ATOM 810 NE ARG A 51 -7.480 -14.709 3.082 1.00 0.04 N ATOM 811 CZ ARG A 51 -7.288 -15.903 3.631 1.00 72.34 C ATOM 812 NH1 ARG A 51 -6.088 -16.467 3.596 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -8.297 -16.537 4.216 1.00 73.32 N ATOM 0 H ARG A 51 -4.171 -12.929 2.263 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.369 -10.604 0.630 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.750 -11.132 0.626 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.812 -12.594 0.392 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -6.519 -11.952 3.215 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -7.862 -12.368 2.167 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -6.246 -14.360 1.427 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -5.497 -14.046 2.980 1.00 3.53 H new ATOM 0 HE ARG A 51 -8.415 -14.303 3.126 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -5.310 -15.984 3.147 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -5.943 -17.384 4.018 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -9.222 -16.107 4.244 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -8.148 -17.454 4.637 1.00 73.32 H new ATOM 827 N GLU A 52 -4.690 -10.164 3.765 1.00 34.15 N ATOM 828 CA GLU A 52 -4.947 -9.193 4.823 1.00 24.22 C ATOM 829 C GLU A 52 -4.159 -7.908 4.585 1.00 0.20 C ATOM 830 O GLU A 52 -4.690 -6.805 4.728 1.00 22.35 O ATOM 831 CB GLU A 52 -4.580 -9.783 6.186 1.00 52.12 C ATOM 832 CG GLU A 52 -3.144 -10.271 6.272 1.00 75.31 C ATOM 833 CD GLU A 52 -2.849 -10.986 7.576 1.00 73.42 C ATOM 834 OE1 GLU A 52 -3.149 -12.195 7.671 1.00 11.41 O ATOM 835 OE2 GLU A 52 -2.317 -10.339 8.503 1.00 52.33 O1- ATOM 0 H GLU A 52 -4.151 -10.978 4.061 1.00 34.15 H new ATOM 0 HA GLU A 52 -6.011 -8.954 4.812 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -4.745 -9.029 6.955 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -5.251 -10.614 6.405 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -2.942 -10.944 5.439 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.469 -9.422 6.166 1.00 75.31 H new ATOM 842 N THR A 53 -2.891 -8.056 4.218 1.00 23.40 N ATOM 843 CA THR A 53 -2.029 -6.909 3.961 1.00 34.31 C ATOM 844 C THR A 53 -1.376 -7.008 2.588 1.00 54.44 C ATOM 845 O THR A 53 -0.370 -6.353 2.319 1.00 31.00 O ATOM 846 CB THR A 53 -0.930 -6.781 5.033 1.00 73.11 C ATOM 847 OG1 THR A 53 -0.155 -5.600 4.799 1.00 13.41 O ATOM 848 CG2 THR A 53 -0.020 -8.001 5.023 1.00 32.42 C ATOM 0 H THR A 53 -2.437 -8.961 4.092 1.00 23.40 H new ATOM 0 HA THR A 53 -2.663 -6.023 3.994 1.00 34.31 H new ATOM 0 HB THR A 53 -1.410 -6.714 6.009 1.00 73.11 H new ATOM 0 HG1 THR A 53 0.132 -5.577 3.862 1.00 13.41 H new ATOM 0 HG21 THR A 53 0.748 -7.888 5.788 1.00 32.42 H new ATOM 0 HG22 THR A 53 -0.608 -8.895 5.228 1.00 32.42 H new ATOM 0 HG23 THR A 53 0.453 -8.094 4.045 1.00 32.42 H new ATOM 856 N GLY A 54 -1.956 -7.833 1.720 1.00 23.41 N ATOM 857 CA GLY A 54 -1.415 -8.003 0.384 1.00 44.31 C ATOM 858 C GLY A 54 0.068 -8.313 0.393 1.00 5.13 C ATOM 859 O GLY A 54 0.784 -7.984 -0.553 1.00 74.51 O ATOM 0 H GLY A 54 -2.790 -8.386 1.918 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.948 -8.809 -0.120 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.589 -7.095 -0.193 1.00 44.31 H new ATOM 863 N SER A 55 0.532 -8.948 1.465 1.00 33.40 N ATOM 864 CA SER A 55 1.941 -9.298 1.596 1.00 75.11 C ATOM 865 C SER A 55 2.183 -10.743 1.169 1.00 63.23 C ATOM 866 O SER A 55 1.241 -11.490 0.906 1.00 45.55 O ATOM 867 CB SER A 55 2.406 -9.096 3.039 1.00 55.25 C ATOM 868 OG SER A 55 2.610 -7.722 3.322 1.00 71.01 O ATOM 0 H SER A 55 -0.048 -9.230 2.255 1.00 33.40 H new ATOM 0 HA SER A 55 2.516 -8.643 0.942 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.664 -9.505 3.724 1.00 55.25 H new ATOM 0 HB3 SER A 55 3.332 -9.646 3.206 1.00 55.25 H new ATOM 0 HG SER A 55 2.905 -7.620 4.251 1.00 71.01 H new ATOM 874 N ILE A 56 3.454 -11.128 1.103 1.00 3.53 N ATOM 875 CA ILE A 56 3.821 -12.483 0.710 1.00 74.13 C ATOM 876 C ILE A 56 5.110 -12.924 1.395 1.00 0.40 C ATOM 877 O ILE A 56 6.053 -12.143 1.528 1.00 42.33 O ATOM 878 CB ILE A 56 3.998 -12.597 -0.816 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.991 -14.067 -1.243 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.289 -11.920 -1.252 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.635 -14.556 -1.702 1.00 3.04 C ATOM 0 H ILE A 56 4.246 -10.521 1.316 1.00 3.53 H new ATOM 0 HA ILE A 56 3.005 -13.135 1.023 1.00 74.13 H new ATOM 0 HB ILE A 56 3.164 -12.092 -1.303 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.711 -14.206 -2.050 1.00 3.03 H new ATOM 0 HG13 ILE A 56 4.326 -14.681 -0.407 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.400 -12.009 -2.333 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.258 -10.866 -0.976 1.00 41.12 H new ATOM 0 HG23 ILE A 56 6.135 -12.399 -0.760 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.705 -15.605 -1.989 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.916 -14.449 -0.890 1.00 3.04 H new ATOM 0 HD13 ILE A 56 2.306 -13.967 -2.558 1.00 3.04 H new ATOM 893 N ARG A 57 5.145 -14.180 1.826 1.00 32.14 N ATOM 894 CA ARG A 57 6.319 -14.726 2.495 1.00 64.45 C ATOM 895 C ARG A 57 6.700 -16.082 1.908 1.00 32.01 C ATOM 896 O ARG A 57 5.863 -16.977 1.792 1.00 32.22 O ATOM 897 CB ARG A 57 6.058 -14.864 3.996 1.00 61.04 C ATOM 898 CG ARG A 57 5.997 -13.534 4.730 1.00 70.51 C ATOM 899 CD ARG A 57 7.359 -12.856 4.764 1.00 15.33 C ATOM 900 NE ARG A 57 7.407 -11.775 5.745 1.00 71.31 N ATOM 901 CZ ARG A 57 8.508 -11.089 6.030 1.00 72.11 C ATOM 902 NH1 ARG A 57 9.646 -11.371 5.411 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 8.473 -10.120 6.935 1.00 34.43 N ATOM 0 H ARG A 57 4.373 -14.839 1.724 1.00 32.14 H new ATOM 0 HA ARG A 57 7.148 -14.036 2.338 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.118 -15.395 4.145 1.00 61.04 H new ATOM 0 HB3 ARG A 57 6.844 -15.477 4.438 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.275 -12.880 4.241 1.00 70.51 H new ATOM 0 HG3 ARG A 57 5.643 -13.695 5.748 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.126 -13.594 5.000 1.00 15.33 H new ATOM 0 HD3 ARG A 57 7.592 -12.459 3.776 1.00 15.33 H new ATOM 0 HE ARG A 57 6.548 -11.534 6.238 1.00 71.31 H new ATOM 0 HH11 ARG A 57 9.677 -12.116 4.715 1.00 34.40 H new ATOM 0 HH12 ARG A 57 10.491 -10.843 5.631 1.00 34.40 H new ATOM 0 HH21 ARG A 57 7.599 -9.900 7.414 1.00 34.43 H new ATOM 0 HH22 ARG A 57 9.320 -9.594 7.152 1.00 34.43 H new ATOM 917 N VAL A 58 7.968 -16.225 1.539 1.00 42.34 N ATOM 918 CA VAL A 58 8.461 -17.471 0.963 1.00 43.54 C ATOM 919 C VAL A 58 9.320 -18.236 1.963 1.00 10.15 C ATOM 920 O VAL A 58 10.360 -17.747 2.407 1.00 73.04 O ATOM 921 CB VAL A 58 9.284 -17.213 -0.313 1.00 23.50 C ATOM 922 CG1 VAL A 58 9.525 -18.513 -1.065 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.584 -16.196 -1.202 1.00 4.35 C ATOM 0 H VAL A 58 8.673 -15.494 1.628 1.00 42.34 H new ATOM 0 HA VAL A 58 7.587 -18.069 0.707 1.00 43.54 H new ATOM 0 HB VAL A 58 10.252 -16.804 -0.023 1.00 23.50 H new ATOM 0 HG11 VAL A 58 10.108 -18.311 -1.964 1.00 55.51 H new ATOM 0 HG12 VAL A 58 10.072 -19.207 -0.426 1.00 55.51 H new ATOM 0 HG13 VAL A 58 8.568 -18.954 -1.345 1.00 55.51 H new ATOM 0 HG21 VAL A 58 9.180 -16.026 -2.099 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.602 -16.575 -1.485 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.468 -15.257 -0.660 1.00 4.35 H new ATOM 933 N PHE A 59 8.880 -19.441 2.314 1.00 1.31 N ATOM 934 CA PHE A 59 9.609 -20.274 3.263 1.00 44.44 C ATOM 935 C PHE A 59 10.027 -21.592 2.618 1.00 1.24 C ATOM 936 O PHE A 59 9.277 -22.180 1.839 1.00 3.23 O ATOM 937 CB PHE A 59 8.750 -20.547 4.498 1.00 43.13 C ATOM 938 CG PHE A 59 8.288 -19.299 5.195 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.197 -18.459 5.817 1.00 52.45 C ATOM 940 CD2 PHE A 59 6.943 -18.966 5.226 1.00 45.01 C ATOM 941 CE1 PHE A 59 8.775 -17.310 6.459 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.515 -17.818 5.866 1.00 52.11 C ATOM 943 CZ PHE A 59 7.432 -16.989 6.483 1.00 33.22 C ATOM 0 H PHE A 59 8.023 -19.861 1.955 1.00 1.31 H new ATOM 0 HA PHE A 59 10.508 -19.737 3.566 1.00 44.44 H new ATOM 0 HB2 PHE A 59 7.879 -21.132 4.203 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.320 -21.156 5.200 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.248 -18.705 5.800 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.222 -19.610 4.745 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.494 -16.664 6.941 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.464 -17.569 5.884 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.099 -16.092 6.983 1.00 33.22 H new ATOM 953 N ALA A 60 11.229 -22.051 2.950 1.00 64.33 N ATOM 954 CA ALA A 60 11.747 -23.301 2.405 1.00 61.55 C ATOM 955 C ALA A 60 11.564 -24.448 3.393 1.00 45.11 C ATOM 956 O ALA A 60 11.996 -24.363 4.543 1.00 31.21 O ATOM 957 CB ALA A 60 13.216 -23.148 2.037 1.00 21.41 C ATOM 0 H ALA A 60 11.863 -21.577 3.593 1.00 64.33 H new ATOM 0 HA ALA A 60 11.181 -23.538 1.504 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.589 -24.088 1.632 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.324 -22.362 1.289 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.788 -22.884 2.926 1.00 21.41 H new ATOM 963 N ARG A 61 10.921 -25.518 2.939 1.00 41.23 N ATOM 964 CA ARG A 61 10.679 -26.681 3.785 1.00 72.14 C ATOM 965 C ARG A 61 11.844 -27.664 3.703 1.00 20.13 C ATOM 966 O ARG A 61 12.084 -28.275 2.661 1.00 1.01 O ATOM 967 CB ARG A 61 9.382 -27.376 3.372 1.00 64.24 C ATOM 968 CG ARG A 61 8.153 -26.854 4.099 1.00 32.03 C ATOM 969 CD ARG A 61 7.089 -27.932 4.241 1.00 70.43 C ATOM 970 NE ARG A 61 6.847 -28.630 2.982 1.00 4.21 N ATOM 971 CZ ARG A 61 6.272 -29.826 2.903 1.00 31.53 C ATOM 972 NH1 ARG A 61 5.882 -30.451 4.006 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 6.085 -30.397 1.721 1.00 24.30 N ATOM 0 H ARG A 61 10.558 -25.604 1.990 1.00 41.23 H new ATOM 0 HA ARG A 61 10.587 -26.338 4.815 1.00 72.14 H new ATOM 0 HB2 ARG A 61 9.239 -27.252 2.299 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.477 -28.446 3.559 1.00 64.24 H new ATOM 0 HG2 ARG A 61 8.440 -26.492 5.086 1.00 32.03 H new ATOM 0 HG3 ARG A 61 7.741 -26.004 3.555 1.00 32.03 H new ATOM 0 HD2 ARG A 61 7.399 -28.650 5.000 1.00 70.43 H new ATOM 0 HD3 ARG A 61 6.160 -27.481 4.590 1.00 70.43 H new ATOM 0 HE ARG A 61 7.135 -28.175 2.116 1.00 4.21 H new ATOM 0 HH11 ARG A 61 6.023 -30.014 4.917 1.00 71.04 H new ATOM 0 HH12 ARG A 61 5.441 -31.369 3.943 1.00 71.04 H new ATOM 0 HH21 ARG A 61 6.382 -29.919 0.871 1.00 24.30 H new ATOM 0 HH22 ARG A 61 5.644 -31.315 1.662 1.00 24.30 H new ATOM 987 N LYS A 62 12.567 -27.810 4.808 1.00 10.33 N ATOM 988 CA LYS A 62 13.706 -28.718 4.863 1.00 21.43 C ATOM 989 C LYS A 62 13.389 -29.937 5.722 1.00 75.40 C ATOM 990 O LYS A 62 12.767 -29.820 6.779 1.00 2.42 O ATOM 991 CB LYS A 62 14.934 -27.995 5.420 1.00 43.22 C ATOM 992 CG LYS A 62 15.767 -27.303 4.354 1.00 41.54 C ATOM 993 CD LYS A 62 16.533 -26.121 4.925 1.00 43.23 C ATOM 994 CE LYS A 62 17.573 -25.605 3.943 1.00 43.44 C ATOM 995 NZ LYS A 62 18.504 -24.633 4.582 1.00 24.24 N1+ ATOM 0 H LYS A 62 12.384 -27.311 5.678 1.00 10.33 H new ATOM 0 HA LYS A 62 13.919 -29.055 3.849 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.609 -27.256 6.152 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.560 -28.714 5.949 1.00 43.22 H new ATOM 0 HG2 LYS A 62 16.468 -28.016 3.919 1.00 41.54 H new ATOM 0 HG3 LYS A 62 15.117 -26.962 3.548 1.00 41.54 H new ATOM 0 HD2 LYS A 62 15.836 -25.320 5.173 1.00 43.23 H new ATOM 0 HD3 LYS A 62 17.022 -26.417 5.853 1.00 43.23 H new ATOM 0 HE2 LYS A 62 18.142 -26.444 3.542 1.00 43.44 H new ATOM 0 HE3 LYS A 62 17.072 -25.128 3.100 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 19.198 -24.304 3.881 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 17.964 -23.820 4.942 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 19.001 -25.095 5.370 1.00 24.24 H new ATOM 1009 N ASP A 63 13.821 -31.107 5.265 1.00 23.54 N ATOM 1010 CA ASP A 63 13.584 -32.348 5.993 1.00 42.41 C ATOM 1011 C ASP A 63 14.486 -32.437 7.221 1.00 73.33 C ATOM 1012 O ASP A 63 15.711 -32.398 7.109 1.00 62.32 O ATOM 1013 CB ASP A 63 13.822 -33.554 5.082 1.00 73.01 C ATOM 1014 CG ASP A 63 12.553 -34.337 4.815 1.00 64.14 C ATOM 1015 OD1 ASP A 63 11.583 -33.740 4.300 1.00 60.22 O1- ATOM 1016 OD2 ASP A 63 12.527 -35.547 5.121 1.00 40.11 O ATOM 0 H ASP A 63 14.338 -31.222 4.393 1.00 23.54 H new ATOM 0 HA ASP A 63 12.546 -32.353 6.324 1.00 42.41 H new ATOM 0 HB2 ASP A 63 14.241 -33.213 4.135 1.00 73.01 H new ATOM 0 HB3 ASP A 63 14.561 -34.211 5.540 1.00 73.01 H new ATOM 1021 N VAL A 64 13.870 -32.558 8.393 1.00 22.25 N ATOM 1022 CA VAL A 64 14.616 -32.653 9.642 1.00 63.30 C ATOM 1023 C VAL A 64 14.978 -34.100 9.958 1.00 51.12 C ATOM 1024 O VAL A 64 14.120 -34.896 10.340 1.00 75.14 O ATOM 1025 CB VAL A 64 13.817 -32.066 10.819 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.640 -32.108 12.098 1.00 52.52 C ATOM 1027 CG2 VAL A 64 13.374 -30.645 10.507 1.00 14.04 C ATOM 0 H VAL A 64 12.857 -32.593 8.503 1.00 22.25 H new ATOM 0 HA VAL A 64 15.530 -32.074 9.509 1.00 63.30 H new ATOM 0 HB VAL A 64 12.926 -32.675 10.969 1.00 43.02 H new ATOM 0 HG11 VAL A 64 14.058 -31.689 12.919 1.00 52.52 H new ATOM 0 HG12 VAL A 64 14.901 -33.141 12.329 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.551 -31.525 11.964 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.810 -30.246 11.350 1.00 14.04 H new ATOM 0 HG22 VAL A 64 14.250 -30.022 10.329 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.743 -30.647 9.618 1.00 14.04 H new ATOM 1037 N VAL A 65 16.254 -34.435 9.795 1.00 11.54 N ATOM 1038 CA VAL A 65 16.730 -35.787 10.065 1.00 13.21 C ATOM 1039 C VAL A 65 18.134 -35.767 10.657 1.00 31.21 C ATOM 1040 O VAL A 65 18.947 -34.903 10.324 1.00 25.11 O ATOM 1041 CB VAL A 65 16.735 -36.645 8.786 1.00 54.34 C ATOM 1042 CG1 VAL A 65 15.329 -36.765 8.217 1.00 54.12 C ATOM 1043 CG2 VAL A 65 17.688 -36.058 7.755 1.00 31.51 C ATOM 0 H VAL A 65 16.977 -33.789 9.477 1.00 11.54 H new ATOM 0 HA VAL A 65 16.042 -36.228 10.786 1.00 13.21 H new ATOM 0 HB VAL A 65 17.084 -37.646 9.042 1.00 54.34 H new ATOM 0 HG11 VAL A 65 15.353 -37.375 7.314 1.00 54.12 H new ATOM 0 HG12 VAL A 65 14.677 -37.234 8.954 1.00 54.12 H new ATOM 0 HG13 VAL A 65 14.949 -35.773 7.975 1.00 54.12 H new ATOM 0 HG21 VAL A 65 17.679 -36.677 6.858 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.371 -35.046 7.501 1.00 31.51 H new ATOM 0 HG23 VAL A 65 18.697 -36.030 8.166 1.00 31.51 H new ATOM 1053 N ASP A 66 18.414 -36.724 11.534 1.00 62.52 N ATOM 1054 CA ASP A 66 19.722 -36.818 12.172 1.00 23.33 C ATOM 1055 C ASP A 66 20.812 -37.092 11.141 1.00 21.04 C ATOM 1056 O ASP A 66 21.981 -36.779 11.361 1.00 0.24 O ATOM 1057 CB ASP A 66 19.717 -37.921 13.233 1.00 11.32 C ATOM 1058 CG ASP A 66 21.116 -38.357 13.618 1.00 10.50 C ATOM 1059 OD1 ASP A 66 21.686 -37.763 14.558 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 21.644 -39.294 12.982 1.00 32.13 O ATOM 0 H ASP A 66 17.753 -37.446 11.820 1.00 62.52 H new ATOM 0 HA ASP A 66 19.934 -35.863 12.652 1.00 23.33 H new ATOM 0 HB2 ASP A 66 19.193 -37.566 14.120 1.00 11.32 H new ATOM 0 HB3 ASP A 66 19.162 -38.780 12.857 1.00 11.32 H new ATOM 1065 N GLU A 67 20.418 -37.679 10.014 1.00 15.03 N ATOM 1066 CA GLU A 67 21.363 -37.996 8.949 1.00 31.11 C ATOM 1067 C GLU A 67 20.833 -37.531 7.596 1.00 50.23 C ATOM 1068 O GLU A 67 19.780 -37.978 7.141 1.00 63.43 O ATOM 1069 CB GLU A 67 21.637 -39.501 8.912 1.00 55.42 C ATOM 1070 CG GLU A 67 22.654 -39.960 9.943 1.00 72.25 C ATOM 1071 CD GLU A 67 24.083 -39.816 9.456 1.00 31.21 C ATOM 1072 OE1 GLU A 67 24.590 -38.674 9.436 1.00 25.33 O1- ATOM 1073 OE2 GLU A 67 24.695 -40.843 9.096 1.00 71.05 O ATOM 0 H GLU A 67 19.453 -37.944 9.816 1.00 15.03 H new ATOM 0 HA GLU A 67 22.295 -37.469 9.155 1.00 31.11 H new ATOM 0 HB2 GLU A 67 20.701 -40.036 9.074 1.00 55.42 H new ATOM 0 HB3 GLU A 67 21.992 -39.773 7.918 1.00 55.42 H new ATOM 0 HG2 GLU A 67 22.526 -39.381 10.858 1.00 72.25 H new ATOM 0 HG3 GLU A 67 22.464 -41.003 10.197 1.00 72.25 H new ATOM 1080 N VAL A 68 21.571 -36.629 6.956 1.00 15.43 N ATOM 1081 CA VAL A 68 21.177 -36.103 5.654 1.00 65.11 C ATOM 1082 C VAL A 68 20.964 -37.228 4.649 1.00 4.00 C ATOM 1083 O VAL A 68 21.905 -37.929 4.274 1.00 42.11 O ATOM 1084 CB VAL A 68 22.234 -35.128 5.101 1.00 61.52 C ATOM 1085 CG1 VAL A 68 21.757 -34.511 3.794 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.552 -34.050 6.125 1.00 63.52 C ATOM 0 H VAL A 68 22.445 -36.247 7.318 1.00 15.43 H new ATOM 0 HA VAL A 68 20.239 -35.567 5.799 1.00 65.11 H new ATOM 0 HB VAL A 68 23.149 -35.685 4.900 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.516 -33.825 3.417 1.00 71.34 H new ATOM 0 HG12 VAL A 68 21.585 -35.299 3.061 1.00 71.34 H new ATOM 0 HG13 VAL A 68 20.829 -33.966 3.966 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.300 -33.370 5.717 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.645 -33.493 6.360 1.00 63.52 H new ATOM 0 HG23 VAL A 68 22.939 -34.513 7.033 1.00 63.52 H new ATOM 1096 N TYR A 69 19.720 -37.396 4.213 1.00 32.10 N ATOM 1097 CA TYR A 69 19.381 -38.439 3.251 1.00 32.14 C ATOM 1098 C TYR A 69 18.855 -37.833 1.954 1.00 61.22 C ATOM 1099 O TYR A 69 18.768 -38.509 0.930 1.00 10.20 O ATOM 1100 CB TYR A 69 18.339 -39.389 3.843 1.00 62.24 C ATOM 1101 CG TYR A 69 18.933 -40.641 4.446 1.00 44.51 C ATOM 1102 CD1 TYR A 69 20.020 -40.571 5.310 1.00 23.33 C ATOM 1103 CD2 TYR A 69 18.409 -41.894 4.151 1.00 73.44 C ATOM 1104 CE1 TYR A 69 20.567 -41.713 5.862 1.00 60.10 C ATOM 1105 CE2 TYR A 69 18.950 -43.040 4.701 1.00 1.01 C ATOM 1106 CZ TYR A 69 20.029 -42.945 5.555 1.00 34.24 C ATOM 1107 OH TYR A 69 20.571 -44.085 6.104 1.00 60.13 O ATOM 0 H TYR A 69 18.930 -36.824 4.510 1.00 32.10 H new ATOM 0 HA TYR A 69 20.288 -39.000 3.027 1.00 32.14 H new ATOM 0 HB2 TYR A 69 17.772 -38.861 4.610 1.00 62.24 H new ATOM 0 HB3 TYR A 69 17.633 -39.672 3.062 1.00 62.24 H new ATOM 0 HD1 TYR A 69 20.444 -39.608 5.554 1.00 23.33 H new ATOM 0 HD2 TYR A 69 17.566 -41.973 3.481 1.00 73.44 H new ATOM 0 HE1 TYR A 69 21.412 -41.641 6.531 1.00 60.10 H new ATOM 0 HE2 TYR A 69 18.530 -44.006 4.463 1.00 1.01 H new ATOM 0 HH TYR A 69 20.075 -44.868 5.787 1.00 60.13 H new ATOM 1117 N ASP A 70 18.507 -36.552 2.007 1.00 20.02 N ATOM 1118 CA ASP A 70 17.991 -35.851 0.836 1.00 33.31 C ATOM 1119 C ASP A 70 18.937 -34.733 0.410 1.00 24.14 C ATOM 1120 O ASP A 70 18.806 -33.593 0.857 1.00 24.10 O ATOM 1121 CB ASP A 70 16.603 -35.279 1.128 1.00 13.03 C ATOM 1122 CG ASP A 70 15.550 -36.359 1.278 1.00 63.42 C ATOM 1123 OD1 ASP A 70 15.878 -37.542 1.051 1.00 60.34 O ATOM 1124 OD2 ASP A 70 14.398 -36.021 1.623 1.00 62.25 O1- ATOM 0 H ASP A 70 18.573 -35.978 2.847 1.00 20.02 H new ATOM 0 HA ASP A 70 17.915 -36.568 0.019 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.643 -34.686 2.041 1.00 13.03 H new ATOM 0 HB3 ASP A 70 16.315 -34.604 0.322 1.00 13.03 H new ATOM 1129 N GLN A 71 19.890 -35.067 -0.453 1.00 45.13 N ATOM 1130 CA GLN A 71 20.859 -34.091 -0.937 1.00 73.34 C ATOM 1131 C GLN A 71 20.157 -32.879 -1.540 1.00 44.25 C ATOM 1132 O GLN A 71 20.691 -31.770 -1.529 1.00 55.10 O ATOM 1133 CB GLN A 71 21.783 -34.729 -1.976 1.00 71.25 C ATOM 1134 CG GLN A 71 22.503 -35.970 -1.470 1.00 52.44 C ATOM 1135 CD GLN A 71 23.804 -35.642 -0.765 1.00 44.52 C ATOM 1136 OE1 GLN A 71 24.787 -35.259 -1.400 1.00 34.54 O ATOM 1137 NE2 GLN A 71 23.818 -35.791 0.554 1.00 51.40 N ATOM 0 H GLN A 71 20.012 -36.006 -0.832 1.00 45.13 H new ATOM 0 HA GLN A 71 21.455 -33.757 -0.087 1.00 73.34 H new ATOM 0 HB2 GLN A 71 21.198 -34.992 -2.857 1.00 71.25 H new ATOM 0 HB3 GLN A 71 22.523 -33.994 -2.293 1.00 71.25 H new ATOM 0 HG2 GLN A 71 21.850 -36.511 -0.786 1.00 52.44 H new ATOM 0 HG3 GLN A 71 22.706 -36.635 -2.309 1.00 52.44 H new ATOM 0 HE21 GLN A 71 22.980 -36.111 1.040 1.00 51.40 H new ATOM 0 HE22 GLN A 71 24.666 -35.585 1.081 1.00 51.40 H new ATOM 1146 N ARG A 72 18.956 -33.099 -2.066 1.00 4.45 N ATOM 1147 CA ARG A 72 18.181 -32.025 -2.676 1.00 31.14 C ATOM 1148 C ARG A 72 17.768 -30.992 -1.632 1.00 3.13 C ATOM 1149 O ARG A 72 17.836 -29.786 -1.874 1.00 25.45 O ATOM 1150 CB ARG A 72 16.939 -32.592 -3.366 1.00 14.31 C ATOM 1151 CG ARG A 72 16.044 -33.401 -2.441 1.00 43.23 C ATOM 1152 CD ARG A 72 14.911 -34.068 -3.206 1.00 44.31 C ATOM 1153 NE ARG A 72 15.397 -35.107 -4.109 1.00 31.03 N ATOM 1154 CZ ARG A 72 14.599 -35.935 -4.774 1.00 1.35 C ATOM 1155 NH1 ARG A 72 13.282 -35.844 -4.638 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 15.116 -36.856 -5.577 1.00 72.31 N ATOM 0 H ARG A 72 18.499 -34.011 -2.082 1.00 4.45 H new ATOM 0 HA ARG A 72 18.810 -31.534 -3.419 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.362 -31.770 -3.789 1.00 14.31 H new ATOM 0 HB3 ARG A 72 17.252 -33.223 -4.198 1.00 14.31 H new ATOM 0 HG2 ARG A 72 16.637 -34.160 -1.931 1.00 43.23 H new ATOM 0 HG3 ARG A 72 15.631 -32.749 -1.671 1.00 43.23 H new ATOM 0 HD2 ARG A 72 14.204 -34.503 -2.500 1.00 44.31 H new ATOM 0 HD3 ARG A 72 14.368 -33.316 -3.778 1.00 44.31 H new ATOM 0 HE ARG A 72 16.405 -35.202 -4.236 1.00 31.03 H new ATOM 0 HH11 ARG A 72 12.881 -35.137 -4.022 1.00 20.14 H new ATOM 0 HH12 ARG A 72 12.671 -36.481 -5.150 1.00 20.14 H new ATOM 0 HH21 ARG A 72 16.128 -36.929 -5.684 1.00 72.31 H new ATOM 0 HH22 ARG A 72 14.502 -37.491 -6.087 1.00 72.31 H new ATOM 1170 N LEU A 73 17.340 -31.472 -0.469 1.00 3.20 N ATOM 1171 CA LEU A 73 16.915 -30.590 0.613 1.00 51.45 C ATOM 1172 C LEU A 73 16.833 -31.351 1.934 1.00 42.22 C ATOM 1173 O LEU A 73 16.083 -32.318 2.056 1.00 32.31 O ATOM 1174 CB LEU A 73 15.558 -29.965 0.285 1.00 24.54 C ATOM 1175 CG LEU A 73 14.384 -30.936 0.164 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.560 -30.941 1.442 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.513 -30.574 -1.031 1.00 14.14 C ATOM 0 H LEU A 73 17.278 -32.467 -0.251 1.00 3.20 H new ATOM 0 HA LEU A 73 17.656 -29.798 0.716 1.00 51.45 H new ATOM 0 HB2 LEU A 73 15.321 -29.234 1.058 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.650 -29.418 -0.653 1.00 24.54 H new ATOM 0 HG LEU A 73 14.783 -31.939 0.009 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.729 -31.638 1.336 1.00 70.54 H new ATOM 0 HD12 LEU A 73 14.188 -31.249 2.278 1.00 70.54 H new ATOM 0 HD13 LEU A 73 13.172 -29.940 1.629 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.682 -31.276 -1.102 1.00 14.14 H new ATOM 0 HD22 LEU A 73 13.125 -29.563 -0.905 1.00 14.14 H new ATOM 0 HD23 LEU A 73 14.108 -30.623 -1.943 1.00 14.14 H new ATOM 1189 N GLU A 74 17.605 -30.903 2.918 1.00 52.14 N ATOM 1190 CA GLU A 74 17.617 -31.540 4.230 1.00 53.33 C ATOM 1191 C GLU A 74 18.247 -30.623 5.273 1.00 31.14 C ATOM 1192 O GLU A 74 19.018 -29.722 4.941 1.00 54.40 O ATOM 1193 CB GLU A 74 18.381 -32.865 4.169 1.00 34.50 C ATOM 1194 CG GLU A 74 18.344 -33.647 5.471 1.00 5.55 C ATOM 1195 CD GLU A 74 19.493 -33.297 6.396 1.00 50.11 C ATOM 1196 OE1 GLU A 74 20.244 -32.351 6.079 1.00 53.23 O ATOM 1197 OE2 GLU A 74 19.640 -33.968 7.439 1.00 54.12 O1- ATOM 0 H GLU A 74 18.230 -30.102 2.832 1.00 52.14 H new ATOM 0 HA GLU A 74 16.585 -31.737 4.522 1.00 53.33 H new ATOM 0 HB2 GLU A 74 17.962 -33.480 3.373 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.419 -32.665 3.904 1.00 34.50 H new ATOM 0 HG2 GLU A 74 17.400 -33.452 5.981 1.00 5.55 H new ATOM 0 HG3 GLU A 74 18.373 -34.714 5.250 1.00 5.55 H new ATOM 1204 N ILE A 75 17.914 -30.860 6.538 1.00 62.14 N ATOM 1205 CA ILE A 75 18.447 -30.056 7.631 1.00 30.31 C ATOM 1206 C ILE A 75 18.767 -30.923 8.844 1.00 75.04 C ATOM 1207 O ILE A 75 17.910 -31.652 9.343 1.00 14.04 O ATOM 1208 CB ILE A 75 17.460 -28.951 8.051 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.984 -28.210 9.283 1.00 4.55 C ATOM 1210 CG2 ILE A 75 16.087 -29.544 8.326 1.00 62.41 C ATOM 1211 CD1 ILE A 75 17.880 -26.705 9.173 1.00 31.35 C ATOM 0 H ILE A 75 17.278 -31.602 6.831 1.00 62.14 H new ATOM 0 HA ILE A 75 19.363 -29.593 7.265 1.00 30.31 H new ATOM 0 HB ILE A 75 17.368 -28.236 7.233 1.00 50.21 H new ATOM 0 HG12 ILE A 75 17.428 -28.541 10.160 1.00 4.55 H new ATOM 0 HG13 ILE A 75 19.027 -28.483 9.445 1.00 4.55 H new ATOM 0 HG21 ILE A 75 15.401 -28.751 8.622 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.713 -30.030 7.425 1.00 62.41 H new ATOM 0 HG23 ILE A 75 16.162 -30.277 9.129 1.00 62.41 H new ATOM 0 HD11 ILE A 75 18.270 -26.246 10.082 1.00 31.35 H new ATOM 0 HD12 ILE A 75 18.459 -26.362 8.316 1.00 31.35 H new ATOM 0 HD13 ILE A 75 16.836 -26.421 9.042 1.00 31.35 H new ATOM 1223 N SER A 76 20.007 -30.837 9.316 1.00 72.03 N ATOM 1224 CA SER A 76 20.442 -31.614 10.470 1.00 2.32 C ATOM 1225 C SER A 76 19.567 -31.320 11.685 1.00 11.44 C ATOM 1226 O SER A 76 19.262 -30.163 11.978 1.00 13.53 O ATOM 1227 CB SER A 76 21.905 -31.308 10.796 1.00 63.42 C ATOM 1228 OG SER A 76 22.505 -32.380 11.503 1.00 63.00 O ATOM 0 H SER A 76 20.728 -30.236 8.916 1.00 72.03 H new ATOM 0 HA SER A 76 20.346 -32.671 10.221 1.00 2.32 H new ATOM 0 HB2 SER A 76 22.455 -31.123 9.874 1.00 63.42 H new ATOM 0 HB3 SER A 76 21.965 -30.397 11.391 1.00 63.42 H new ATOM 0 HG SER A 76 23.440 -32.161 11.698 1.00 63.00 H new ATOM 1234 N ILE A 77 19.166 -32.375 12.386 1.00 32.21 N ATOM 1235 CA ILE A 77 18.326 -32.230 13.569 1.00 42.24 C ATOM 1236 C ILE A 77 18.908 -31.203 14.534 1.00 3.30 C ATOM 1237 O ILE A 77 18.173 -30.458 15.181 1.00 62.34 O ATOM 1238 CB ILE A 77 18.156 -33.571 14.307 1.00 2.05 C ATOM 1239 CG1 ILE A 77 17.241 -33.399 15.520 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.512 -34.117 14.732 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.836 -32.969 15.160 1.00 2.10 C ATOM 0 H ILE A 77 19.409 -33.339 12.156 1.00 32.21 H new ATOM 0 HA ILE A 77 17.350 -31.889 13.223 1.00 42.24 H new ATOM 0 HB ILE A 77 17.694 -34.287 13.627 1.00 2.05 H new ATOM 0 HG12 ILE A 77 17.195 -34.341 16.067 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.677 -32.660 16.193 1.00 61.14 H new ATOM 0 HG21 ILE A 77 19.376 -35.065 15.252 1.00 44.33 H new ATOM 0 HG22 ILE A 77 20.134 -34.273 13.851 1.00 44.33 H new ATOM 0 HG23 ILE A 77 19.999 -33.404 15.398 1.00 44.33 H new ATOM 0 HD11 ILE A 77 15.243 -32.867 16.069 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.871 -32.012 14.639 1.00 2.10 H new ATOM 0 HD13 ILE A 77 15.381 -33.718 14.512 1.00 2.10 H new ATOM 1253 N GLU A 78 20.234 -31.167 14.623 1.00 30.11 N ATOM 1254 CA GLU A 78 20.915 -30.230 15.509 1.00 0.34 C ATOM 1255 C GLU A 78 20.830 -28.806 14.963 1.00 42.21 C ATOM 1256 O GLU A 78 20.728 -27.845 15.725 1.00 45.21 O ATOM 1257 CB GLU A 78 22.380 -30.633 15.686 1.00 12.10 C ATOM 1258 CG GLU A 78 23.184 -30.589 14.397 1.00 52.02 C ATOM 1259 CD GLU A 78 24.534 -31.266 14.528 1.00 3.31 C ATOM 1260 OE1 GLU A 78 24.896 -31.656 15.658 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 25.230 -31.406 13.501 1.00 44.14 O ATOM 0 H GLU A 78 20.858 -31.775 14.093 1.00 30.11 H new ATOM 0 HA GLU A 78 20.418 -30.260 16.479 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.844 -29.971 16.417 1.00 12.10 H new ATOM 0 HB3 GLU A 78 22.423 -31.642 16.097 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.615 -31.072 13.602 1.00 52.02 H new ATOM 0 HG3 GLU A 78 23.330 -29.551 14.099 1.00 52.02 H new ATOM 1268 N GLU A 79 20.873 -28.683 13.641 1.00 34.12 N ATOM 1269 CA GLU A 79 20.802 -27.378 12.994 1.00 41.22 C ATOM 1270 C GLU A 79 19.483 -26.682 13.314 1.00 73.11 C ATOM 1271 O GLU A 79 19.463 -25.523 13.725 1.00 3.25 O ATOM 1272 CB GLU A 79 20.959 -27.526 11.479 1.00 40.51 C ATOM 1273 CG GLU A 79 21.003 -26.199 10.739 1.00 71.40 C ATOM 1274 CD GLU A 79 22.309 -25.458 10.947 1.00 23.32 C ATOM 1275 OE1 GLU A 79 23.261 -26.068 11.475 1.00 73.13 O1- ATOM 1276 OE2 GLU A 79 22.378 -24.265 10.580 1.00 25.22 O ATOM 0 H GLU A 79 20.957 -29.470 12.997 1.00 34.12 H new ATOM 0 HA GLU A 79 21.618 -26.766 13.379 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.874 -28.080 11.269 1.00 40.51 H new ATOM 0 HB3 GLU A 79 20.131 -28.121 11.093 1.00 40.51 H new ATOM 0 HG2 GLU A 79 20.856 -26.376 9.674 1.00 71.40 H new ATOM 0 HG3 GLU A 79 20.177 -25.572 11.075 1.00 71.40 H new ATOM 1283 N ALA A 80 18.380 -27.400 13.120 1.00 23.40 N ATOM 1284 CA ALA A 80 17.056 -26.854 13.390 1.00 41.12 C ATOM 1285 C ALA A 80 16.934 -26.399 14.840 1.00 13.05 C ATOM 1286 O ALA A 80 16.187 -25.472 15.149 1.00 13.31 O ATOM 1287 CB ALA A 80 15.984 -27.883 13.065 1.00 63.34 C ATOM 0 H ALA A 80 18.378 -28.361 12.777 1.00 23.40 H new ATOM 0 HA ALA A 80 16.913 -25.983 12.751 1.00 41.12 H new ATOM 0 HB1 ALA A 80 15.000 -27.461 13.272 1.00 63.34 H new ATOM 0 HB2 ALA A 80 16.048 -28.155 12.011 1.00 63.34 H new ATOM 0 HB3 ALA A 80 16.134 -28.771 13.679 1.00 63.34 H new ATOM 1293 N GLN A 81 17.672 -27.060 15.727 1.00 53.33 N ATOM 1294 CA GLN A 81 17.645 -26.725 17.145 1.00 55.10 C ATOM 1295 C GLN A 81 18.216 -25.332 17.386 1.00 65.05 C ATOM 1296 O GLN A 81 17.863 -24.664 18.357 1.00 13.14 O ATOM 1297 CB GLN A 81 18.433 -27.759 17.951 1.00 55.14 C ATOM 1298 CG GLN A 81 17.926 -29.181 17.775 1.00 15.04 C ATOM 1299 CD GLN A 81 17.143 -29.674 18.976 1.00 74.24 C ATOM 1300 OE1 GLN A 81 17.412 -29.282 20.112 1.00 60.45 O ATOM 1301 NE2 GLN A 81 16.166 -30.539 18.731 1.00 12.11 N ATOM 0 H GLN A 81 18.296 -27.831 15.488 1.00 53.33 H new ATOM 0 HA GLN A 81 16.606 -26.734 17.475 1.00 55.10 H new ATOM 0 HB2 GLN A 81 19.481 -27.716 17.655 1.00 55.14 H new ATOM 0 HB3 GLN A 81 18.389 -27.494 19.007 1.00 55.14 H new ATOM 0 HG2 GLN A 81 17.294 -29.230 16.889 1.00 15.04 H new ATOM 0 HG3 GLN A 81 18.772 -29.845 17.600 1.00 15.04 H new ATOM 0 HE21 GLN A 81 15.977 -30.837 17.774 1.00 12.11 H new ATOM 0 HE22 GLN A 81 15.604 -30.905 19.500 1.00 12.11 H new ATOM 1310 N GLY A 82 19.103 -24.898 16.495 1.00 10.33 N ATOM 1311 CA GLY A 82 19.711 -23.587 16.629 1.00 0.41 C ATOM 1312 C GLY A 82 18.681 -22.477 16.697 1.00 3.45 C ATOM 1313 O GLY A 82 18.890 -21.468 17.373 1.00 20.11 O ATOM 0 H GLY A 82 19.411 -25.432 15.682 1.00 10.33 H new ATOM 0 HA2 GLY A 82 20.325 -23.565 17.529 1.00 0.41 H new ATOM 0 HA3 GLY A 82 20.377 -23.410 15.784 1.00 0.41 H new ATOM 1317 N ILE A 83 17.569 -22.659 15.994 1.00 31.40 N ATOM 1318 CA ILE A 83 16.504 -21.663 15.977 1.00 1.12 C ATOM 1319 C ILE A 83 15.264 -22.172 16.702 1.00 73.35 C ATOM 1320 O ILE A 83 14.449 -21.387 17.188 1.00 13.12 O ATOM 1321 CB ILE A 83 16.120 -21.275 14.537 1.00 1.41 C ATOM 1322 CG1 ILE A 83 15.528 -22.478 13.802 1.00 4.34 C ATOM 1323 CG2 ILE A 83 17.333 -20.736 13.792 1.00 22.22 C ATOM 1324 CD1 ILE A 83 15.074 -22.162 12.394 1.00 2.43 C ATOM 0 H ILE A 83 17.381 -23.487 15.428 1.00 31.40 H new ATOM 0 HA ILE A 83 16.887 -20.782 16.492 1.00 1.12 H new ATOM 0 HB ILE A 83 15.365 -20.490 14.577 1.00 1.41 H new ATOM 0 HG12 ILE A 83 16.272 -23.273 13.765 1.00 4.34 H new ATOM 0 HG13 ILE A 83 14.681 -22.860 14.371 1.00 4.34 H new ATOM 0 HG21 ILE A 83 17.046 -20.466 12.776 1.00 22.22 H new ATOM 0 HG22 ILE A 83 17.714 -19.855 14.307 1.00 22.22 H new ATOM 0 HG23 ILE A 83 18.109 -21.501 13.759 1.00 22.22 H new ATOM 0 HD11 ILE A 83 14.665 -23.061 11.933 1.00 2.43 H new ATOM 0 HD12 ILE A 83 14.306 -21.389 12.424 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.923 -21.808 11.809 1.00 2.43 H new ATOM 1336 N HIS A 84 15.127 -23.493 16.774 1.00 63.03 N ATOM 1337 CA HIS A 84 13.986 -24.108 17.442 1.00 54.51 C ATOM 1338 C HIS A 84 14.312 -25.535 17.872 1.00 12.33 C ATOM 1339 O HIS A 84 14.216 -26.482 17.090 1.00 53.42 O ATOM 1340 CB HIS A 84 12.766 -24.106 16.521 1.00 32.52 C ATOM 1341 CG HIS A 84 11.494 -23.722 17.212 1.00 13.05 C ATOM 1342 ND1 HIS A 84 11.159 -24.166 18.474 1.00 42.33 N ATOM 1343 CD2 HIS A 84 10.474 -22.929 16.810 1.00 40.41 C ATOM 1344 CE1 HIS A 84 9.987 -23.663 18.818 1.00 4.32 C ATOM 1345 NE2 HIS A 84 9.550 -22.909 17.826 1.00 13.00 N ATOM 0 H HIS A 84 15.792 -24.157 16.378 1.00 63.03 H new ATOM 0 HA HIS A 84 13.759 -23.522 18.333 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.945 -23.416 15.697 1.00 32.52 H new ATOM 0 HB3 HIS A 84 12.648 -25.098 16.086 1.00 32.52 H new ATOM 0 HD2 HIS A 84 10.400 -22.409 15.866 1.00 40.41 H new ATOM 0 HE1 HIS A 84 9.474 -23.839 19.752 1.00 4.32 H new ATOM 0 HE2 HIS A 84 8.669 -22.395 17.816 1.00 13.00 H new ATOM 1353 N PRO A 85 14.709 -25.696 19.143 1.00 51.33 N ATOM 1354 CA PRO A 85 15.058 -27.005 19.704 1.00 21.45 C ATOM 1355 C PRO A 85 13.841 -27.909 19.867 1.00 1.12 C ATOM 1356 O PRO A 85 13.973 -29.087 20.195 1.00 55.23 O ATOM 1357 CB PRO A 85 15.653 -26.657 21.071 1.00 54.51 C ATOM 1358 CG PRO A 85 15.042 -25.347 21.428 1.00 23.33 C ATOM 1359 CD PRO A 85 14.847 -24.612 20.131 1.00 35.21 C ATOM 0 HA PRO A 85 15.738 -27.558 19.056 1.00 21.45 H new ATOM 0 HB2 PRO A 85 15.415 -27.420 21.812 1.00 54.51 H new ATOM 0 HB3 PRO A 85 16.740 -26.587 21.023 1.00 54.51 H new ATOM 0 HG2 PRO A 85 14.092 -25.487 21.943 1.00 23.33 H new ATOM 0 HG3 PRO A 85 15.690 -24.785 22.101 1.00 23.33 H new ATOM 0 HD2 PRO A 85 13.961 -23.977 20.158 1.00 35.21 H new ATOM 0 HD3 PRO A 85 15.695 -23.966 19.903 1.00 35.21 H new ATOM 1367 N GLU A 86 12.659 -27.348 19.635 1.00 11.24 N ATOM 1368 CA GLU A 86 11.418 -28.106 19.756 1.00 2.30 C ATOM 1369 C GLU A 86 11.259 -29.080 18.592 1.00 54.33 C ATOM 1370 O GLU A 86 10.520 -30.060 18.685 1.00 72.01 O ATOM 1371 CB GLU A 86 10.218 -27.158 19.811 1.00 32.11 C ATOM 1372 CG GLU A 86 10.141 -26.347 21.093 1.00 10.02 C ATOM 1373 CD GLU A 86 9.815 -27.199 22.304 1.00 32.22 C ATOM 1374 OE1 GLU A 86 9.380 -28.354 22.116 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 9.995 -26.710 23.439 1.00 32.50 O ATOM 0 H GLU A 86 12.534 -26.373 19.363 1.00 11.24 H new ATOM 0 HA GLU A 86 11.461 -28.679 20.682 1.00 2.30 H new ATOM 0 HB2 GLU A 86 10.265 -26.476 18.962 1.00 32.11 H new ATOM 0 HB3 GLU A 86 9.302 -27.739 19.703 1.00 32.11 H new ATOM 0 HG2 GLU A 86 11.092 -25.840 21.256 1.00 10.02 H new ATOM 0 HG3 GLU A 86 9.382 -25.573 20.983 1.00 10.02 H new ATOM 1382 N TYR A 87 11.957 -28.802 17.496 1.00 13.33 N ATOM 1383 CA TYR A 87 11.891 -29.650 16.313 1.00 62.40 C ATOM 1384 C TYR A 87 12.210 -31.100 16.664 1.00 30.01 C ATOM 1385 O TYR A 87 12.598 -31.407 17.790 1.00 64.21 O ATOM 1386 CB TYR A 87 12.863 -29.147 15.243 1.00 41.24 C ATOM 1387 CG TYR A 87 12.361 -27.934 14.493 1.00 51.15 C ATOM 1388 CD1 TYR A 87 11.063 -27.883 14.002 1.00 4.14 C ATOM 1389 CD2 TYR A 87 13.187 -26.837 14.275 1.00 24.43 C ATOM 1390 CE1 TYR A 87 10.601 -26.777 13.316 1.00 10.23 C ATOM 1391 CE2 TYR A 87 12.733 -25.726 13.591 1.00 41.22 C ATOM 1392 CZ TYR A 87 11.439 -25.702 13.112 1.00 73.33 C ATOM 1393 OH TYR A 87 10.982 -24.597 12.430 1.00 33.41 O ATOM 0 H TYR A 87 12.575 -27.996 17.403 1.00 13.33 H new ATOM 0 HA TYR A 87 10.875 -29.605 15.921 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.815 -28.904 15.714 1.00 41.24 H new ATOM 0 HB3 TYR A 87 13.055 -29.950 14.532 1.00 41.24 H new ATOM 0 HD1 TYR A 87 10.403 -28.723 14.159 1.00 4.14 H new ATOM 0 HD2 TYR A 87 14.201 -26.854 14.647 1.00 24.43 H new ATOM 0 HE1 TYR A 87 9.588 -26.755 12.941 1.00 10.23 H new ATOM 0 HE2 TYR A 87 13.387 -24.881 13.432 1.00 41.22 H new ATOM 0 HH TYR A 87 10.507 -24.884 11.622 1.00 33.41 H new ATOM 1403 N MET A 88 12.046 -31.988 15.688 1.00 30.33 N ATOM 1404 CA MET A 88 12.318 -33.406 15.891 1.00 15.53 C ATOM 1405 C MET A 88 12.432 -34.135 14.557 1.00 10.42 C ATOM 1406 O MET A 88 11.786 -33.762 13.577 1.00 24.25 O ATOM 1407 CB MET A 88 11.216 -34.042 16.741 1.00 14.22 C ATOM 1408 CG MET A 88 11.613 -35.376 17.354 1.00 4.24 C ATOM 1409 SD MET A 88 12.864 -35.203 18.640 1.00 21.05 S ATOM 1410 CE MET A 88 14.309 -35.837 17.795 1.00 34.51 C ATOM 0 H MET A 88 11.726 -31.750 14.749 1.00 30.33 H new ATOM 0 HA MET A 88 13.269 -33.496 16.416 1.00 15.53 H new ATOM 0 HB2 MET A 88 10.941 -33.352 17.539 1.00 14.22 H new ATOM 0 HB3 MET A 88 10.329 -34.185 16.123 1.00 14.22 H new ATOM 0 HG2 MET A 88 10.729 -35.856 17.774 1.00 4.24 H new ATOM 0 HG3 MET A 88 11.991 -36.033 16.571 1.00 4.24 H new ATOM 0 HE1 MET A 88 15.009 -36.243 18.525 1.00 34.51 H new ATOM 0 HE2 MET A 88 14.010 -36.624 17.103 1.00 34.51 H new ATOM 0 HE3 MET A 88 14.790 -35.030 17.242 1.00 34.51 H new ATOM 1420 N VAL A 89 13.258 -35.176 14.524 1.00 2.14 N ATOM 1421 CA VAL A 89 13.456 -35.958 13.310 1.00 32.25 C ATOM 1422 C VAL A 89 12.122 -36.404 12.720 1.00 31.51 C ATOM 1423 O VAL A 89 11.341 -37.091 13.376 1.00 22.02 O ATOM 1424 CB VAL A 89 14.328 -37.199 13.577 1.00 43.25 C ATOM 1425 CG1 VAL A 89 14.498 -38.016 12.305 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.679 -36.789 14.142 1.00 64.13 C ATOM 0 H VAL A 89 13.801 -35.497 15.325 1.00 2.14 H new ATOM 0 HA VAL A 89 13.967 -35.311 12.597 1.00 32.25 H new ATOM 0 HB VAL A 89 13.825 -37.823 14.316 1.00 43.25 H new ATOM 0 HG11 VAL A 89 15.117 -38.889 12.513 1.00 5.33 H new ATOM 0 HG12 VAL A 89 13.521 -38.341 11.948 1.00 5.33 H new ATOM 0 HG13 VAL A 89 14.978 -37.404 11.541 1.00 5.33 H new ATOM 0 HG21 VAL A 89 16.282 -37.678 14.325 1.00 64.13 H new ATOM 0 HG22 VAL A 89 16.191 -36.144 13.428 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.534 -36.251 15.079 1.00 64.13 H new ATOM 1436 N GLY A 90 11.871 -36.009 11.476 1.00 61.31 N ATOM 1437 CA GLY A 90 10.630 -36.378 10.818 1.00 5.34 C ATOM 1438 C GLY A 90 9.750 -35.179 10.527 1.00 73.20 C ATOM 1439 O GLY A 90 8.860 -35.245 9.678 1.00 73.05 O ATOM 0 H GLY A 90 12.503 -35.441 10.912 1.00 61.31 H new ATOM 0 HA2 GLY A 90 10.856 -36.894 9.885 1.00 5.34 H new ATOM 0 HA3 GLY A 90 10.084 -37.082 11.447 1.00 5.34 H new ATOM 1443 N ASP A 91 9.996 -34.081 11.233 1.00 14.12 N ATOM 1444 CA ASP A 91 9.217 -32.862 11.046 1.00 22.15 C ATOM 1445 C ASP A 91 9.819 -31.996 9.944 1.00 32.31 C ATOM 1446 O ASP A 91 10.809 -32.373 9.315 1.00 53.31 O ATOM 1447 CB ASP A 91 9.149 -32.070 12.353 1.00 12.13 C ATOM 1448 CG ASP A 91 7.803 -31.403 12.555 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.808 -32.126 12.775 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.744 -30.157 12.497 1.00 3.14 O ATOM 0 H ASP A 91 10.728 -34.010 11.940 1.00 14.12 H new ATOM 0 HA ASP A 91 8.208 -33.147 10.749 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.350 -32.738 13.190 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.932 -31.311 12.356 1.00 12.13 H new ATOM 1455 N VAL A 92 9.214 -30.835 9.713 1.00 31.51 N ATOM 1456 CA VAL A 92 9.691 -29.916 8.687 1.00 42.33 C ATOM 1457 C VAL A 92 9.873 -28.511 9.248 1.00 75.52 C ATOM 1458 O VAL A 92 9.115 -28.073 10.114 1.00 53.31 O ATOM 1459 CB VAL A 92 8.719 -29.856 7.492 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.816 -31.127 6.662 1.00 55.14 C ATOM 1461 CG2 VAL A 92 7.295 -29.633 7.976 1.00 61.45 C ATOM 0 H VAL A 92 8.393 -30.509 10.223 1.00 31.51 H new ATOM 0 HA VAL A 92 10.654 -30.296 8.346 1.00 42.33 H new ATOM 0 HB VAL A 92 8.999 -29.014 6.859 1.00 41.12 H new ATOM 0 HG11 VAL A 92 8.123 -31.067 5.823 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.833 -31.239 6.286 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.562 -31.987 7.282 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.622 -29.593 7.120 1.00 61.45 H new ATOM 0 HG22 VAL A 92 7.001 -30.453 8.631 1.00 61.45 H new ATOM 0 HG23 VAL A 92 7.240 -28.693 8.525 1.00 61.45 H new ATOM 1471 N VAL A 93 10.886 -27.807 8.751 1.00 53.22 N ATOM 1472 CA VAL A 93 11.168 -26.450 9.202 1.00 1.40 C ATOM 1473 C VAL A 93 11.065 -25.455 8.051 1.00 13.54 C ATOM 1474 O VAL A 93 11.473 -25.748 6.927 1.00 42.32 O ATOM 1475 CB VAL A 93 12.570 -26.348 9.831 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.628 -26.857 8.863 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.864 -24.915 10.247 1.00 1.50 C ATOM 0 H VAL A 93 11.525 -28.155 8.036 1.00 53.22 H new ATOM 0 HA VAL A 93 10.421 -26.206 9.957 1.00 1.40 H new ATOM 0 HB VAL A 93 12.595 -26.974 10.723 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.612 -26.777 9.325 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.426 -27.900 8.618 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.605 -26.259 7.952 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.859 -24.861 10.690 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.820 -24.266 9.372 1.00 1.50 H new ATOM 0 HG23 VAL A 93 12.124 -24.589 10.978 1.00 1.50 H new ATOM 1487 N GLU A 94 10.518 -24.279 8.340 1.00 63.33 N ATOM 1488 CA GLU A 94 10.361 -23.241 7.327 1.00 13.04 C ATOM 1489 C GLU A 94 11.234 -22.031 7.650 1.00 14.14 C ATOM 1490 O GLU A 94 11.204 -21.512 8.766 1.00 22.33 O ATOM 1491 CB GLU A 94 8.896 -22.815 7.225 1.00 72.23 C ATOM 1492 CG GLU A 94 8.136 -23.511 6.109 1.00 51.42 C ATOM 1493 CD GLU A 94 6.633 -23.462 6.307 1.00 45.35 C ATOM 1494 OE1 GLU A 94 6.160 -22.559 7.030 1.00 3.23 O ATOM 1495 OE2 GLU A 94 5.930 -24.323 5.739 1.00 11.44 O1- ATOM 0 H GLU A 94 10.176 -24.021 9.266 1.00 63.33 H new ATOM 0 HA GLU A 94 10.679 -23.652 6.369 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.400 -23.020 8.174 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.850 -21.737 7.067 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.389 -23.045 5.157 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.457 -24.551 6.050 1.00 51.42 H new ATOM 1502 N ILE A 95 12.008 -21.588 6.665 1.00 43.41 N ATOM 1503 CA ILE A 95 12.888 -20.440 6.843 1.00 24.11 C ATOM 1504 C ILE A 95 12.725 -19.441 5.703 1.00 51.42 C ATOM 1505 O ILE A 95 12.566 -19.827 4.546 1.00 43.44 O ATOM 1506 CB ILE A 95 14.364 -20.869 6.928 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.528 -22.015 7.930 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.238 -19.687 7.320 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.454 -23.387 7.296 1.00 4.40 C ATOM 0 H ILE A 95 12.043 -22.007 5.736 1.00 43.41 H new ATOM 0 HA ILE A 95 12.602 -19.966 7.782 1.00 24.11 H new ATOM 0 HB ILE A 95 14.682 -21.221 5.946 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.487 -21.909 8.437 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.754 -21.934 8.693 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.279 -20.007 7.376 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.140 -18.899 6.574 1.00 24.14 H new ATOM 0 HG23 ILE A 95 14.922 -19.308 8.292 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.578 -24.150 8.064 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.485 -23.513 6.813 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.245 -23.488 6.553 1.00 4.40 H new ATOM 1521 N GLU A 96 12.768 -18.155 6.039 1.00 15.41 N ATOM 1522 CA GLU A 96 12.627 -17.100 5.041 1.00 4.20 C ATOM 1523 C GLU A 96 13.616 -17.297 3.897 1.00 3.25 C ATOM 1524 O GLU A 96 14.830 -17.301 4.105 1.00 21.32 O ATOM 1525 CB GLU A 96 12.839 -15.729 5.684 1.00 33.11 C ATOM 1526 CG GLU A 96 11.713 -15.311 6.616 1.00 44.11 C ATOM 1527 CD GLU A 96 12.099 -14.154 7.516 1.00 24.12 C ATOM 1528 OE1 GLU A 96 13.292 -14.053 7.873 1.00 23.44 O1- ATOM 1529 OE2 GLU A 96 11.210 -13.349 7.864 1.00 64.34 O ATOM 0 H GLU A 96 12.899 -17.819 6.993 1.00 15.41 H new ATOM 0 HA GLU A 96 11.616 -17.151 4.636 1.00 4.20 H new ATOM 0 HB2 GLU A 96 13.775 -15.740 6.242 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.945 -14.981 4.898 1.00 33.11 H new ATOM 0 HG2 GLU A 96 10.842 -15.031 6.024 1.00 44.11 H new ATOM 0 HG3 GLU A 96 11.420 -16.162 7.231 1.00 44.11 H new ATOM 1536 N VAL A 97 13.089 -17.462 2.689 1.00 52.41 N ATOM 1537 CA VAL A 97 13.925 -17.659 1.510 1.00 41.24 C ATOM 1538 C VAL A 97 13.511 -16.723 0.380 1.00 64.02 C ATOM 1539 O VAL A 97 14.062 -16.778 -0.721 1.00 40.42 O ATOM 1540 CB VAL A 97 13.854 -19.114 1.009 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.524 -19.377 0.318 1.00 41.13 C ATOM 1542 CG2 VAL A 97 15.016 -19.412 0.074 1.00 14.33 C ATOM 0 H VAL A 97 12.087 -17.463 2.500 1.00 52.41 H new ATOM 0 HA VAL A 97 14.949 -17.434 1.807 1.00 41.24 H new ATOM 0 HB VAL A 97 13.928 -19.780 1.869 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.492 -20.410 -0.029 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.709 -19.205 1.021 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.417 -18.705 -0.533 1.00 41.13 H new ATOM 0 HG21 VAL A 97 14.950 -20.444 -0.271 1.00 14.33 H new ATOM 0 HG22 VAL A 97 14.975 -18.740 -0.783 1.00 14.33 H new ATOM 0 HG23 VAL A 97 15.957 -19.266 0.605 1.00 14.33 H new ATOM 1552 N THR A 98 12.537 -15.862 0.658 1.00 74.11 N ATOM 1553 CA THR A 98 12.049 -14.914 -0.334 1.00 21.42 C ATOM 1554 C THR A 98 13.119 -13.886 -0.686 1.00 23.55 C ATOM 1555 O THR A 98 13.845 -13.390 0.177 1.00 72.05 O ATOM 1556 CB THR A 98 10.790 -14.178 0.163 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.185 -13.457 -0.916 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.136 -13.216 1.291 1.00 33.24 C ATOM 0 H THR A 98 12.071 -15.802 1.563 1.00 74.11 H new ATOM 0 HA THR A 98 11.796 -15.491 -1.224 1.00 21.42 H new ATOM 0 HB THR A 98 10.088 -14.921 0.542 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.313 -13.113 -0.631 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.232 -12.708 1.626 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.569 -13.771 2.123 1.00 33.24 H new ATOM 0 HG23 THR A 98 11.855 -12.479 0.933 1.00 33.24 H new ATOM 1566 N PRO A 99 13.220 -13.555 -1.981 1.00 61.42 N ATOM 1567 CA PRO A 99 14.198 -12.581 -2.476 1.00 22.35 C ATOM 1568 C PRO A 99 13.872 -11.158 -2.037 1.00 21.13 C ATOM 1569 O PRO A 99 12.735 -10.853 -1.676 1.00 4.33 O ATOM 1570 CB PRO A 99 14.089 -12.710 -3.998 1.00 33.45 C ATOM 1571 CG PRO A 99 12.710 -13.221 -4.236 1.00 23.31 C ATOM 1572 CD PRO A 99 12.387 -14.105 -3.063 1.00 75.43 C ATOM 0 HA PRO A 99 15.198 -12.775 -2.089 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.246 -11.750 -4.489 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.839 -13.396 -4.392 1.00 33.45 H new ATOM 0 HG2 PRO A 99 11.998 -12.400 -4.313 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.657 -13.779 -5.171 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.327 -14.068 -2.812 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.630 -15.148 -3.267 1.00 75.43 H new ATOM 1580 N LYS A 100 14.876 -10.288 -2.071 1.00 1.34 N ATOM 1581 CA LYS A 100 14.697 -8.896 -1.679 1.00 31.23 C ATOM 1582 C LYS A 100 13.964 -8.115 -2.765 1.00 11.53 C ATOM 1583 O LYS A 100 13.628 -6.944 -2.582 1.00 43.02 O ATOM 1584 CB LYS A 100 16.053 -8.245 -1.395 1.00 14.02 C ATOM 1585 CG LYS A 100 16.498 -8.372 0.051 1.00 13.24 C ATOM 1586 CD LYS A 100 16.931 -9.792 0.379 1.00 51.30 C ATOM 1587 CE LYS A 100 17.314 -9.933 1.844 1.00 60.13 C ATOM 1588 NZ LYS A 100 18.361 -8.950 2.242 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.823 -10.524 -2.367 1.00 1.34 H new ATOM 0 HA LYS A 100 14.094 -8.875 -0.771 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.806 -8.699 -2.039 1.00 14.02 H new ATOM 0 HB3 LYS A 100 16.002 -7.189 -1.659 1.00 14.02 H new ATOM 0 HG2 LYS A 100 17.324 -7.686 0.240 1.00 13.24 H new ATOM 0 HG3 LYS A 100 15.682 -8.078 0.711 1.00 13.24 H new ATOM 0 HD2 LYS A 100 16.122 -10.484 0.145 1.00 51.30 H new ATOM 0 HD3 LYS A 100 17.778 -10.069 -0.248 1.00 51.30 H new ATOM 0 HE2 LYS A 100 16.430 -9.793 2.466 1.00 60.13 H new ATOM 0 HE3 LYS A 100 17.676 -10.944 2.029 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 18.727 -9.195 3.184 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 19.138 -8.972 1.551 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 17.949 -7.996 2.269 1.00 62.04 H new ATOM 1602 N ASP A 101 13.718 -8.769 -3.894 1.00 23.32 N ATOM 1603 CA ASP A 101 13.021 -8.136 -5.009 1.00 41.13 C ATOM 1604 C ASP A 101 11.627 -8.729 -5.185 1.00 43.12 C ATOM 1605 O ASP A 101 10.925 -8.415 -6.146 1.00 15.43 O ATOM 1606 CB ASP A 101 13.826 -8.302 -6.299 1.00 64.01 C ATOM 1607 CG ASP A 101 13.471 -7.257 -7.340 1.00 62.02 C ATOM 1608 OD1 ASP A 101 13.464 -6.058 -6.996 1.00 12.30 O ATOM 1609 OD2 ASP A 101 13.201 -7.641 -8.497 1.00 24.30 O1- ATOM 0 H ASP A 101 13.991 -9.737 -4.062 1.00 23.32 H new ATOM 0 HA ASP A 101 12.919 -7.074 -4.787 1.00 41.13 H new ATOM 0 HB2 ASP A 101 14.890 -8.237 -6.071 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.648 -9.296 -6.710 1.00 64.01 H new ATOM 1614 N PHE A 102 11.231 -9.587 -4.251 1.00 61.52 N ATOM 1615 CA PHE A 102 9.922 -10.226 -4.304 1.00 41.25 C ATOM 1616 C PHE A 102 8.810 -9.205 -4.078 1.00 61.03 C ATOM 1617 O PHE A 102 7.656 -9.437 -4.438 1.00 73.03 O ATOM 1618 CB PHE A 102 9.829 -11.337 -3.257 1.00 42.23 C ATOM 1619 CG PHE A 102 9.182 -12.592 -3.770 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.630 -13.190 -4.938 1.00 34.02 C ATOM 1621 CD2 PHE A 102 8.127 -13.173 -3.086 1.00 61.34 C ATOM 1622 CE1 PHE A 102 9.037 -14.345 -5.412 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.532 -14.328 -3.555 1.00 54.01 C ATOM 1624 CZ PHE A 102 7.986 -14.914 -4.721 1.00 15.23 C ATOM 0 H PHE A 102 11.799 -9.856 -3.447 1.00 61.52 H new ATOM 0 HA PHE A 102 9.798 -10.661 -5.296 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.831 -11.574 -2.901 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.264 -10.971 -2.400 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.451 -12.749 -5.483 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.766 -12.718 -2.176 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.396 -14.802 -6.322 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.712 -14.773 -3.010 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.520 -15.815 -5.091 1.00 15.23 H new ATOM 1634 N GLY A 103 9.166 -8.074 -3.477 1.00 33.20 N ATOM 1635 CA GLY A 103 8.189 -7.034 -3.212 1.00 14.33 C ATOM 1636 C GLY A 103 7.375 -6.676 -4.440 1.00 14.11 C ATOM 1637 O GLY A 103 6.145 -6.674 -4.398 1.00 52.21 O ATOM 0 H GLY A 103 10.114 -7.859 -3.169 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.518 -7.364 -2.419 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.701 -6.144 -2.847 1.00 14.33 H new ATOM 1641 N ARG A 104 8.063 -6.373 -5.536 1.00 11.41 N ATOM 1642 CA ARG A 104 7.395 -6.009 -6.781 1.00 21.11 C ATOM 1643 C ARG A 104 6.895 -7.251 -7.511 1.00 54.21 C ATOM 1644 O ARG A 104 5.790 -7.260 -8.057 1.00 35.02 O ATOM 1645 CB ARG A 104 8.347 -5.223 -7.683 1.00 50.22 C ATOM 1646 CG ARG A 104 8.785 -3.893 -7.093 1.00 72.45 C ATOM 1647 CD ARG A 104 9.284 -2.943 -8.170 1.00 22.14 C ATOM 1648 NE ARG A 104 8.188 -2.378 -8.954 1.00 50.51 N ATOM 1649 CZ ARG A 104 8.360 -1.495 -9.930 1.00 32.33 C ATOM 1650 NH1 ARG A 104 9.579 -1.076 -10.243 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 7.312 -1.028 -10.597 1.00 63.54 N ATOM 0 H ARG A 104 9.082 -6.372 -5.588 1.00 11.41 H new ATOM 0 HA ARG A 104 6.537 -5.382 -6.536 1.00 21.11 H new ATOM 0 HB2 ARG A 104 9.230 -5.831 -7.883 1.00 50.22 H new ATOM 0 HB3 ARG A 104 7.860 -5.043 -8.642 1.00 50.22 H new ATOM 0 HG2 ARG A 104 7.950 -3.436 -6.562 1.00 72.45 H new ATOM 0 HG3 ARG A 104 9.574 -4.061 -6.360 1.00 72.45 H new ATOM 0 HD2 ARG A 104 9.852 -2.136 -7.707 1.00 22.14 H new ATOM 0 HD3 ARG A 104 9.968 -3.474 -8.833 1.00 22.14 H new ATOM 0 HE ARG A 104 7.237 -2.679 -8.739 1.00 50.51 H new ATOM 0 HH11 ARG A 104 10.387 -1.432 -9.733 1.00 65.42 H new ATOM 0 HH12 ARG A 104 9.708 -0.397 -10.994 1.00 65.42 H new ATOM 0 HH21 ARG A 104 6.373 -1.348 -10.360 1.00 63.54 H new ATOM 0 HH22 ARG A 104 7.446 -0.349 -11.347 1.00 63.54 H new ATOM 1665 N ILE A 105 7.713 -8.298 -7.519 1.00 74.15 N ATOM 1666 CA ILE A 105 7.352 -9.545 -8.183 1.00 51.42 C ATOM 1667 C ILE A 105 6.006 -10.062 -7.686 1.00 31.22 C ATOM 1668 O ILE A 105 5.176 -10.516 -8.472 1.00 32.23 O ATOM 1669 CB ILE A 105 8.421 -10.631 -7.959 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.777 -10.160 -8.489 1.00 71.02 C ATOM 1671 CG2 ILE A 105 8.005 -11.931 -8.633 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.941 -10.986 -7.989 1.00 51.01 C ATOM 0 H ILE A 105 8.630 -8.308 -7.073 1.00 74.15 H new ATOM 0 HA ILE A 105 7.284 -9.328 -9.249 1.00 51.42 H new ATOM 0 HB ILE A 105 8.514 -10.813 -6.888 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.762 -10.190 -9.578 1.00 71.02 H new ATOM 0 HG13 ILE A 105 9.929 -9.120 -8.200 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.771 -12.689 -8.466 1.00 4.21 H new ATOM 0 HG22 ILE A 105 7.059 -12.272 -8.213 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.887 -11.764 -9.704 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.870 -10.595 -8.405 1.00 51.01 H new ATOM 0 HD12 ILE A 105 10.982 -10.936 -6.901 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.812 -12.023 -8.300 1.00 51.01 H new ATOM 1684 N ALA A 106 5.797 -9.989 -6.376 1.00 52.13 N ATOM 1685 CA ALA A 106 4.551 -10.446 -5.774 1.00 0.32 C ATOM 1686 C ALA A 106 3.346 -9.790 -6.442 1.00 11.13 C ATOM 1687 O ALA A 106 2.378 -10.463 -6.796 1.00 42.22 O ATOM 1688 CB ALA A 106 4.549 -10.160 -4.280 1.00 60.32 C ATOM 0 H ALA A 106 6.475 -9.617 -5.711 1.00 52.13 H new ATOM 0 HA ALA A 106 4.477 -11.523 -5.926 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.612 -10.507 -3.844 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.383 -10.680 -3.809 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.651 -9.087 -4.115 1.00 60.32 H new ATOM 1694 N ALA A 107 3.413 -8.474 -6.611 1.00 54.24 N ATOM 1695 CA ALA A 107 2.329 -7.728 -7.236 1.00 40.42 C ATOM 1696 C ALA A 107 2.284 -7.982 -8.739 1.00 61.51 C ATOM 1697 O ALA A 107 1.211 -8.002 -9.342 1.00 62.23 O ATOM 1698 CB ALA A 107 2.480 -6.240 -6.956 1.00 41.43 C ATOM 0 H ALA A 107 4.207 -7.902 -6.323 1.00 54.24 H new ATOM 0 HA ALA A 107 1.389 -8.074 -6.806 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.663 -5.696 -7.429 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.455 -6.068 -5.880 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.430 -5.889 -7.358 1.00 41.43 H new ATOM 1704 N GLN A 108 3.455 -8.175 -9.337 1.00 63.24 N ATOM 1705 CA GLN A 108 3.548 -8.426 -10.771 1.00 24.31 C ATOM 1706 C GLN A 108 2.956 -9.786 -11.124 1.00 33.31 C ATOM 1707 O GLN A 108 2.417 -9.977 -12.215 1.00 5.33 O ATOM 1708 CB GLN A 108 5.005 -8.355 -11.229 1.00 74.24 C ATOM 1709 CG GLN A 108 5.218 -8.833 -12.656 1.00 10.13 C ATOM 1710 CD GLN A 108 6.676 -8.808 -13.069 1.00 34.33 C ATOM 1711 OE1 GLN A 108 7.302 -9.854 -13.242 1.00 30.11 O ATOM 1712 NE2 GLN A 108 7.226 -7.609 -13.229 1.00 30.20 N ATOM 0 H GLN A 108 4.352 -8.162 -8.852 1.00 63.24 H new ATOM 0 HA GLN A 108 2.975 -7.656 -11.288 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.354 -7.326 -11.143 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.618 -8.957 -10.558 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.833 -9.848 -12.756 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.641 -8.205 -13.335 1.00 10.13 H new ATOM 0 HE21 GLN A 108 6.670 -6.768 -13.075 1.00 30.20 H new ATOM 0 HE22 GLN A 108 8.204 -7.530 -13.506 1.00 30.20 H new ATOM 1721 N THR A 109 3.060 -10.731 -10.194 1.00 14.35 N ATOM 1722 CA THR A 109 2.536 -12.074 -10.409 1.00 1.22 C ATOM 1723 C THR A 109 1.056 -12.151 -10.053 1.00 5.53 C ATOM 1724 O THR A 109 0.322 -12.982 -10.585 1.00 22.25 O ATOM 1725 CB THR A 109 3.307 -13.117 -9.577 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.706 -12.809 -9.581 1.00 62.10 O ATOM 1727 CG2 THR A 109 3.090 -14.518 -10.128 1.00 43.12 C ATOM 0 H THR A 109 3.502 -10.591 -9.286 1.00 14.35 H new ATOM 0 HA THR A 109 2.664 -12.297 -11.468 1.00 1.22 H new ATOM 0 HB THR A 109 2.930 -13.084 -8.555 1.00 63.33 H new ATOM 0 HG1 THR A 109 4.893 -12.127 -8.902 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.644 -15.236 -9.524 1.00 43.12 H new ATOM 0 HG22 THR A 109 2.028 -14.761 -10.097 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.442 -14.562 -11.159 1.00 43.12 H new ATOM 1735 N ALA A 110 0.624 -11.277 -9.149 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.770 -11.245 -8.723 1.00 65.20 C ATOM 1737 C ALA A 110 -1.654 -10.599 -9.786 1.00 34.15 C ATOM 1738 O ALA A 110 -2.814 -10.971 -9.953 1.00 63.40 O ATOM 1739 CB ALA A 110 -0.902 -10.502 -7.402 1.00 42.13 C ATOM 0 H ALA A 110 1.219 -10.582 -8.698 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.105 -12.273 -8.584 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -1.948 -10.486 -7.096 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.309 -11.007 -6.640 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.544 -9.480 -7.522 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.096 -9.627 -10.500 1.00 4.43 N ATOM 1746 CA LYS A 111 -1.832 -8.929 -11.548 1.00 13.33 C ATOM 1747 C LYS A 111 -2.061 -9.837 -12.751 1.00 33.32 C ATOM 1748 O LYS A 111 -3.091 -9.750 -13.417 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.073 -7.673 -11.981 1.00 20.42 C ATOM 1750 CG LYS A 111 0.357 -7.945 -12.417 1.00 74.20 C ATOM 1751 CD LYS A 111 0.758 -7.070 -13.593 1.00 34.11 C ATOM 1752 CE LYS A 111 2.155 -7.411 -14.090 1.00 74.34 C ATOM 1753 NZ LYS A 111 2.203 -8.757 -14.724 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.137 -9.305 -10.372 1.00 4.43 H new ATOM 0 HA LYS A 111 -2.802 -8.640 -11.145 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.610 -7.199 -12.803 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.063 -6.962 -11.155 1.00 20.42 H new ATOM 0 HG2 LYS A 111 1.033 -7.765 -11.581 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.461 -8.995 -12.691 1.00 74.20 H new ATOM 0 HD2 LYS A 111 0.041 -7.197 -14.404 1.00 34.11 H new ATOM 0 HD3 LYS A 111 0.722 -6.022 -13.297 1.00 34.11 H new ATOM 0 HE2 LYS A 111 2.479 -6.659 -14.809 1.00 74.34 H new ATOM 0 HE3 LYS A 111 2.856 -7.377 -13.256 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 3.022 -8.811 -15.362 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 2.290 -9.485 -13.987 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 1.330 -8.916 -15.267 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.095 -10.710 -13.020 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.193 -11.634 -14.143 1.00 10.21 C ATOM 1769 C GLN A 112 -2.146 -12.781 -13.821 1.00 0.31 C ATOM 1770 O GLN A 112 -2.827 -13.303 -14.704 1.00 14.34 O ATOM 1771 CB GLN A 112 0.188 -12.187 -14.499 1.00 41.41 C ATOM 1772 CG GLN A 112 0.898 -12.848 -13.329 1.00 33.01 C ATOM 1773 CD GLN A 112 2.240 -13.436 -13.718 1.00 31.12 C ATOM 1774 OE1 GLN A 112 3.235 -12.719 -13.833 1.00 53.14 O ATOM 1775 NE2 GLN A 112 2.276 -14.747 -13.923 1.00 73.33 N ATOM 0 H GLN A 112 -0.237 -10.796 -12.476 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.588 -11.086 -14.999 1.00 10.21 H new ATOM 0 HB2 GLN A 112 0.083 -12.912 -15.306 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.809 -11.375 -14.878 1.00 41.41 H new ATOM 0 HG2 GLN A 112 1.043 -12.115 -12.536 1.00 33.01 H new ATOM 0 HG3 GLN A 112 0.264 -13.636 -12.923 1.00 33.01 H new ATOM 0 HE21 GLN A 112 1.428 -15.303 -13.817 1.00 73.33 H new ATOM 0 HE22 GLN A 112 3.152 -15.198 -14.187 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.187 -13.171 -12.551 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.056 -14.256 -12.112 1.00 53.54 C ATOM 1786 C VAL A 113 -4.522 -13.836 -12.150 1.00 33.44 C ATOM 1787 O VAL A 113 -5.376 -14.567 -12.651 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.703 -14.717 -10.686 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -3.753 -15.684 -10.161 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.321 -15.352 -10.659 1.00 71.43 C ATOM 0 H VAL A 113 -1.628 -12.751 -11.808 1.00 42.44 H new ATOM 0 HA VAL A 113 -2.900 -15.085 -12.803 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.690 -13.844 -10.034 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.486 -15.998 -9.152 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.725 -15.191 -10.142 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -3.802 -16.557 -10.812 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.087 -15.672 -9.644 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.304 -16.215 -11.325 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.580 -14.624 -10.990 1.00 71.43 H new ATOM 1800 N VAL A 114 -4.806 -12.652 -11.616 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.168 -12.133 -11.590 1.00 44.31 C ATOM 1802 C VAL A 114 -6.698 -11.907 -13.001 1.00 24.40 C ATOM 1803 O VAL A 114 -7.874 -12.141 -13.281 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.250 -10.811 -10.803 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -5.932 -11.042 -9.334 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.311 -9.776 -11.404 1.00 62.43 C ATOM 0 H VAL A 114 -4.111 -12.035 -11.196 1.00 62.31 H new ATOM 0 HA VAL A 114 -6.783 -12.882 -11.091 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.269 -10.429 -10.873 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.995 -10.097 -8.795 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.648 -11.748 -8.913 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -4.925 -11.447 -9.239 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.381 -8.848 -10.836 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.287 -10.148 -11.366 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.591 -9.589 -12.441 1.00 62.43 H new ATOM 1816 N THR A 115 -5.821 -11.448 -13.890 1.00 11.13 N ATOM 1817 CA THR A 115 -6.199 -11.189 -15.272 1.00 33.11 C ATOM 1818 C THR A 115 -6.901 -12.395 -15.886 1.00 25.41 C ATOM 1819 O THR A 115 -7.840 -12.245 -16.668 1.00 0.53 O ATOM 1820 CB THR A 115 -4.973 -10.830 -16.133 1.00 14.23 C ATOM 1821 OG1 THR A 115 -4.379 -9.617 -15.657 1.00 20.24 O ATOM 1822 CG2 THR A 115 -5.365 -10.670 -17.594 1.00 72.31 C ATOM 0 H THR A 115 -4.844 -11.248 -13.676 1.00 11.13 H new ATOM 0 HA THR A 115 -6.884 -10.341 -15.258 1.00 33.11 H new ATOM 0 HB THR A 115 -4.251 -11.643 -16.055 1.00 14.23 H new ATOM 0 HG1 THR A 115 -3.710 -9.827 -14.973 1.00 20.24 H new ATOM 0 HG21 THR A 115 -4.483 -10.417 -18.182 1.00 72.31 H new ATOM 0 HG22 THR A 115 -5.790 -11.604 -17.961 1.00 72.31 H new ATOM 0 HG23 THR A 115 -6.104 -9.874 -17.687 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.439 -13.588 -15.527 1.00 72.25 N ATOM 1831 CA GLN A 116 -7.024 -14.820 -16.043 1.00 54.01 C ATOM 1832 C GLN A 116 -8.399 -15.069 -15.431 1.00 61.15 C ATOM 1833 O GLN A 116 -9.334 -15.471 -16.122 1.00 62.10 O ATOM 1834 CB GLN A 116 -6.103 -16.006 -15.756 1.00 65.13 C ATOM 1835 CG GLN A 116 -4.777 -15.941 -16.498 1.00 43.44 C ATOM 1836 CD GLN A 116 -3.854 -17.091 -16.146 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -4.207 -17.965 -15.355 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -2.663 -17.095 -16.734 1.00 23.42 N ATOM 0 H GLN A 116 -5.662 -13.728 -14.881 1.00 72.25 H new ATOM 0 HA GLN A 116 -7.141 -14.712 -17.121 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -5.908 -16.053 -14.685 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -6.617 -16.928 -16.027 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -4.965 -15.947 -17.572 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -4.281 -14.998 -16.266 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -2.412 -16.350 -17.384 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -1.999 -17.844 -16.536 1.00 23.42 H new ATOM 1847 N ARG A 117 -8.514 -14.825 -14.129 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.774 -15.025 -13.423 1.00 0.51 C ATOM 1849 C ARG A 117 -10.853 -14.089 -13.962 1.00 2.44 C ATOM 1850 O ARG A 117 -12.041 -14.407 -13.922 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.585 -14.793 -11.923 1.00 31.12 C ATOM 1852 CG ARG A 117 -8.346 -15.464 -11.354 1.00 40.43 C ATOM 1853 CD ARG A 117 -8.308 -16.945 -11.695 1.00 72.54 C ATOM 1854 NE ARG A 117 -9.521 -17.637 -11.267 1.00 64.15 N ATOM 1855 CZ ARG A 117 -9.592 -18.949 -11.077 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -8.524 -19.709 -11.276 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -10.732 -19.505 -10.688 1.00 63.20 N ATOM 0 H ARG A 117 -7.750 -14.489 -13.542 1.00 54.30 H new ATOM 0 HA ARG A 117 -10.095 -16.054 -13.587 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.526 -13.721 -11.734 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.463 -15.162 -11.393 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.454 -14.976 -11.747 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -8.328 -15.338 -10.271 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -8.182 -17.066 -12.771 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -7.442 -17.404 -11.219 1.00 72.54 H new ATOM 0 HE ARG A 117 -10.361 -17.081 -11.105 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -7.646 -19.286 -11.576 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -8.581 -20.717 -11.129 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -11.556 -18.924 -10.534 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -10.784 -20.513 -10.543 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.430 -12.933 -14.463 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.358 -11.952 -15.010 1.00 4.21 C ATOM 1873 C VAL A 118 -12.096 -12.508 -16.222 1.00 14.31 C ATOM 1874 O VAL A 118 -13.327 -12.488 -16.277 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.631 -10.656 -15.416 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -11.634 -9.585 -15.818 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -9.742 -10.167 -14.283 1.00 2.43 C ATOM 0 H VAL A 118 -9.450 -12.653 -14.501 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.077 -11.725 -14.223 1.00 4.21 H new ATOM 0 HB VAL A 118 -9.998 -10.869 -16.278 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.102 -8.677 -16.102 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.225 -9.939 -16.663 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.295 -9.371 -14.978 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -9.236 -9.251 -14.587 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -10.352 -9.969 -13.401 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.000 -10.930 -14.047 1.00 2.43 H new