USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 855 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 44 THR OG1 : rot 180:sc= -1.17 USER MOD Set 1.2: A 48 ASN : amide:sc= -7.83! K(o=-9!,f=-3.9) USER MOD Single : A 1 MET CE :methyl -141:sc= -1.62 (180deg=-3.96!) USER MOD Single : A 1 MET N :NH3+ -166:sc= -1.92 (180deg=-2.56) USER MOD Single : A 7 SER OG : rot 180:sc= -0.827 USER MOD Single : A 23 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.17) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 92:sc= 1.33 USER MOD Single : A 47 GLN : amide:sc= -1.42 K(o=-1.4,f=0.45) USER MOD Single : A 51 THR OG1 : rot -127:sc= -1.46! USER MOD Single : A 52 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.026) USER MOD Single : A 55 LYS NZ :NH3+ -144:sc= -0.257 (180deg=-1.26) USER MOD Single : A 57 GLN : amide:sc= -6.87! K(o=-6.9!,f=-0.51) USER MOD Single : A 60 GLN : amide:sc=-0.00474 K(o=-0.0047,f=-0.51) USER MOD Single : A 62 SER OG : rot -75:sc= 0.158 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= -0.497 (180deg=-1.06) USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.142) USER MOD Single : A 70 SER OG : rot 90:sc= 0.623 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0846 USER MOD Single : A 73 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.9!) USER MOD Single : A 75 THR OG1 : rot 70:sc= -1.86 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot -78:sc= 0.0203 USER MOD Single : A 92 MET CE :methyl 168:sc= -0.264 (180deg=-0.809) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= -0.614 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.56) USER MOD Single : A 104 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.185 -1.723 -3.307 1.00 13.52 N ATOM 2 CA MET A 1 -4.065 -1.727 -4.760 1.00 41.22 C ATOM 3 C MET A 1 -3.190 -0.572 -5.237 1.00 4.15 C ATOM 4 O MET A 1 -3.380 -0.048 -6.334 1.00 45.14 O ATOM 5 CB MET A 1 -5.448 -1.635 -5.408 1.00 42.02 C ATOM 6 CG MET A 1 -6.480 -2.550 -4.770 1.00 21.41 C ATOM 7 SD MET A 1 -7.567 -1.680 -3.625 1.00 2.34 S ATOM 8 CE MET A 1 -6.909 -2.227 -2.051 1.00 42.12 C ATOM 0 H1 MET A 1 -4.576 -2.633 -2.988 1.00 13.52 H new ATOM 0 H2 MET A 1 -3.247 -1.581 -2.882 1.00 13.52 H new ATOM 0 H3 MET A 1 -4.818 -0.952 -3.013 1.00 13.52 H new ATOM 0 HA MET A 1 -3.594 -2.664 -5.057 1.00 41.22 H new ATOM 0 HB2 MET A 1 -5.801 -0.605 -5.348 1.00 42.02 H new ATOM 0 HB3 MET A 1 -5.361 -1.881 -6.466 1.00 42.02 H new ATOM 0 HG2 MET A 1 -7.080 -3.015 -5.552 1.00 21.41 H new ATOM 0 HG3 MET A 1 -5.969 -3.354 -4.240 1.00 21.41 H new ATOM 0 HE1 MET A 1 -7.729 -2.401 -1.355 1.00 42.12 H new ATOM 0 HE2 MET A 1 -6.350 -3.152 -2.192 1.00 42.12 H new ATOM 0 HE3 MET A 1 -6.247 -1.461 -1.647 1.00 42.12 H new ATOM 18 N PHE A 2 -2.231 -0.180 -4.404 1.00 42.42 N ATOM 19 CA PHE A 2 -1.327 0.914 -4.740 1.00 51.43 C ATOM 20 C PHE A 2 0.129 0.485 -4.585 1.00 73.50 C ATOM 21 O PHE A 2 0.971 0.791 -5.429 1.00 70.42 O ATOM 22 CB PHE A 2 -1.610 2.128 -3.853 1.00 4.42 C ATOM 23 CG PHE A 2 -2.985 2.122 -3.248 1.00 44.13 C ATOM 24 CD1 PHE A 2 -4.111 2.121 -4.056 1.00 23.44 C ATOM 25 CD2 PHE A 2 -3.151 2.118 -1.873 1.00 10.22 C ATOM 26 CE1 PHE A 2 -5.377 2.114 -3.503 1.00 15.44 C ATOM 27 CE2 PHE A 2 -4.415 2.112 -1.314 1.00 71.42 C ATOM 28 CZ PHE A 2 -5.530 2.111 -2.130 1.00 63.00 C ATOM 0 H PHE A 2 -2.060 -0.604 -3.492 1.00 42.42 H new ATOM 0 HA PHE A 2 -1.498 1.186 -5.782 1.00 51.43 H new ATOM 0 HB2 PHE A 2 -0.870 2.164 -3.053 1.00 4.42 H new ATOM 0 HB3 PHE A 2 -1.486 3.036 -4.443 1.00 4.42 H new ATOM 0 HD1 PHE A 2 -3.997 2.126 -5.130 1.00 23.44 H new ATOM 0 HD2 PHE A 2 -2.283 2.120 -1.230 1.00 10.22 H new ATOM 0 HE1 PHE A 2 -6.246 2.111 -4.144 1.00 15.44 H new ATOM 0 HE2 PHE A 2 -4.531 2.108 -0.240 1.00 71.42 H new ATOM 0 HZ PHE A 2 -6.519 2.108 -1.696 1.00 63.00 H new ATOM 38 N ASP A 3 0.417 -0.226 -3.500 1.00 52.02 N ATOM 39 CA ASP A 3 1.770 -0.699 -3.233 1.00 62.02 C ATOM 40 C ASP A 3 1.830 -1.456 -1.910 1.00 41.10 C ATOM 41 O ASP A 3 2.074 -2.663 -1.885 1.00 0.43 O ATOM 42 CB ASP A 3 2.748 0.476 -3.207 1.00 44.53 C ATOM 43 CG ASP A 3 3.584 0.562 -4.469 1.00 51.25 C ATOM 44 OD1 ASP A 3 4.365 -0.377 -4.729 1.00 71.24 O ATOM 45 OD2 ASP A 3 3.456 1.568 -5.198 1.00 1.32 O ATOM 0 H ASP A 3 -0.269 -0.487 -2.791 1.00 52.02 H new ATOM 0 HA ASP A 3 2.055 -1.381 -4.034 1.00 62.02 H new ATOM 0 HB2 ASP A 3 2.192 1.405 -3.079 1.00 44.53 H new ATOM 0 HB3 ASP A 3 3.407 0.377 -2.344 1.00 44.53 H new ATOM 50 N ILE A 4 1.607 -0.739 -0.814 1.00 21.13 N ATOM 51 CA ILE A 4 1.636 -1.343 0.512 1.00 31.44 C ATOM 52 C ILE A 4 3.026 -1.874 0.845 1.00 63.34 C ATOM 53 O ILE A 4 3.814 -1.206 1.513 1.00 32.55 O ATOM 54 CB ILE A 4 0.618 -2.493 0.629 1.00 22.42 C ATOM 55 CG1 ILE A 4 -0.808 -1.959 0.478 1.00 64.22 C ATOM 56 CG2 ILE A 4 0.782 -3.212 1.960 1.00 33.30 C ATOM 57 CD1 ILE A 4 -1.210 -0.994 1.571 1.00 75.21 C ATOM 0 H ILE A 4 1.404 0.261 -0.818 1.00 21.13 H new ATOM 0 HA ILE A 4 1.370 -0.559 1.221 1.00 31.44 H new ATOM 0 HB ILE A 4 0.805 -3.207 -0.173 1.00 22.42 H new ATOM 0 HG12 ILE A 4 -0.901 -1.461 -0.487 1.00 64.22 H new ATOM 0 HG13 ILE A 4 -1.503 -2.799 0.472 1.00 64.22 H new ATOM 0 HG21 ILE A 4 0.056 -4.022 2.028 1.00 33.30 H new ATOM 0 HG22 ILE A 4 1.790 -3.621 2.031 1.00 33.30 H new ATOM 0 HG23 ILE A 4 0.618 -2.508 2.776 1.00 33.30 H new ATOM 0 HD11 ILE A 4 -2.232 -0.656 1.400 1.00 75.21 H new ATOM 0 HD12 ILE A 4 -1.150 -1.494 2.538 1.00 75.21 H new ATOM 0 HD13 ILE A 4 -0.538 -0.136 1.564 1.00 75.21 H new ATOM 69 N GLY A 5 3.322 -3.081 0.370 1.00 2.24 N ATOM 70 CA GLY A 5 4.619 -3.681 0.626 1.00 53.32 C ATOM 71 C GLY A 5 4.648 -4.469 1.920 1.00 10.12 C ATOM 72 O GLY A 5 5.234 -5.550 1.984 1.00 10.13 O ATOM 0 H GLY A 5 2.687 -3.653 -0.187 1.00 2.24 H new ATOM 0 HA2 GLY A 5 4.881 -4.339 -0.202 1.00 53.32 H new ATOM 0 HA3 GLY A 5 5.377 -2.898 0.664 1.00 53.32 H new ATOM 76 N PHE A 6 4.016 -3.927 2.956 1.00 54.23 N ATOM 77 CA PHE A 6 3.974 -4.585 4.256 1.00 33.51 C ATOM 78 C PHE A 6 3.108 -3.799 5.236 1.00 22.24 C ATOM 79 O PHE A 6 2.566 -4.359 6.189 1.00 11.33 O ATOM 80 CB PHE A 6 5.388 -4.741 4.818 1.00 22.04 C ATOM 81 CG PHE A 6 5.973 -3.457 5.334 1.00 32.22 C ATOM 82 CD1 PHE A 6 6.117 -2.361 4.499 1.00 72.33 C ATOM 83 CD2 PHE A 6 6.378 -3.346 6.655 1.00 73.14 C ATOM 84 CE1 PHE A 6 6.655 -1.179 4.971 1.00 62.13 C ATOM 85 CE2 PHE A 6 6.916 -2.166 7.132 1.00 24.24 C ATOM 86 CZ PHE A 6 7.054 -1.081 6.289 1.00 23.04 C ATOM 0 H PHE A 6 3.526 -3.033 2.920 1.00 54.23 H new ATOM 0 HA PHE A 6 3.533 -5.573 4.121 1.00 33.51 H new ATOM 0 HB2 PHE A 6 5.371 -5.473 5.625 1.00 22.04 H new ATOM 0 HB3 PHE A 6 6.038 -5.140 4.039 1.00 22.04 H new ATOM 0 HD1 PHE A 6 5.805 -2.431 3.467 1.00 72.33 H new ATOM 0 HD2 PHE A 6 6.272 -4.191 7.319 1.00 73.14 H new ATOM 0 HE1 PHE A 6 6.763 -0.332 4.309 1.00 62.13 H new ATOM 0 HE2 PHE A 6 7.228 -2.092 8.163 1.00 24.24 H new ATOM 0 HZ PHE A 6 7.473 -0.157 6.660 1.00 23.04 H new ATOM 96 N SER A 7 2.984 -2.498 4.995 1.00 2.01 N ATOM 97 CA SER A 7 2.189 -1.633 5.858 1.00 13.22 C ATOM 98 C SER A 7 0.934 -2.353 6.341 1.00 35.22 C ATOM 99 O SER A 7 0.710 -2.494 7.543 1.00 51.30 O ATOM 100 CB SER A 7 1.802 -0.353 5.116 1.00 53.55 C ATOM 101 OG SER A 7 1.390 -0.637 3.790 1.00 41.33 O ATOM 0 H SER A 7 3.424 -2.020 4.209 1.00 2.01 H new ATOM 0 HA SER A 7 2.794 -1.372 6.726 1.00 13.22 H new ATOM 0 HB2 SER A 7 0.997 0.151 5.650 1.00 53.55 H new ATOM 0 HB3 SER A 7 2.650 0.331 5.098 1.00 53.55 H new ATOM 0 HG SER A 7 1.146 0.197 3.337 1.00 41.33 H new ATOM 107 N GLU A 8 0.118 -2.807 5.395 1.00 62.45 N ATOM 108 CA GLU A 8 -1.115 -3.513 5.723 1.00 11.43 C ATOM 109 C GLU A 8 -0.847 -4.647 6.708 1.00 12.24 C ATOM 110 O GLU A 8 -1.489 -4.739 7.756 1.00 63.10 O ATOM 111 CB GLU A 8 -1.765 -4.068 4.454 1.00 12.42 C ATOM 112 CG GLU A 8 -2.562 -3.034 3.677 1.00 53.24 C ATOM 113 CD GLU A 8 -4.060 -3.223 3.821 1.00 41.23 C ATOM 114 OE1 GLU A 8 -4.549 -3.223 4.970 1.00 74.03 O ATOM 115 OE2 GLU A 8 -4.742 -3.371 2.785 1.00 12.54 O ATOM 0 H GLU A 8 0.289 -2.698 4.395 1.00 62.45 H new ATOM 0 HA GLU A 8 -1.797 -2.802 6.190 1.00 11.43 H new ATOM 0 HB2 GLU A 8 -0.989 -4.477 3.807 1.00 12.42 H new ATOM 0 HB3 GLU A 8 -2.423 -4.894 4.724 1.00 12.42 H new ATOM 0 HG2 GLU A 8 -2.291 -2.037 4.023 1.00 53.24 H new ATOM 0 HG3 GLU A 8 -2.292 -3.090 2.622 1.00 53.24 H new ATOM 122 N LEU A 9 0.104 -5.508 6.365 1.00 32.30 N ATOM 123 CA LEU A 9 0.457 -6.638 7.218 1.00 4.30 C ATOM 124 C LEU A 9 0.702 -6.181 8.653 1.00 43.14 C ATOM 125 O LEU A 9 0.076 -6.678 9.589 1.00 20.44 O ATOM 126 CB LEU A 9 1.702 -7.342 6.675 1.00 3.14 C ATOM 127 CG LEU A 9 1.795 -8.844 6.946 1.00 62.03 C ATOM 128 CD1 LEU A 9 1.523 -9.140 8.412 1.00 23.34 C ATOM 129 CD2 LEU A 9 0.824 -9.607 6.057 1.00 51.13 C ATOM 0 H LEU A 9 0.645 -5.446 5.502 1.00 32.30 H new ATOM 0 HA LEU A 9 -0.378 -7.338 7.217 1.00 4.30 H new ATOM 0 HB2 LEU A 9 1.743 -7.184 5.597 1.00 3.14 H new ATOM 0 HB3 LEU A 9 2.582 -6.861 7.101 1.00 3.14 H new ATOM 0 HG LEU A 9 2.807 -9.174 6.712 1.00 62.03 H new ATOM 0 HD11 LEU A 9 1.594 -10.214 8.586 1.00 23.34 H new ATOM 0 HD12 LEU A 9 2.258 -8.623 9.030 1.00 23.34 H new ATOM 0 HD13 LEU A 9 0.522 -8.795 8.673 1.00 23.34 H new ATOM 0 HD21 LEU A 9 0.904 -10.674 6.263 1.00 51.13 H new ATOM 0 HD22 LEU A 9 -0.194 -9.273 6.259 1.00 51.13 H new ATOM 0 HD23 LEU A 9 1.066 -9.421 5.011 1.00 51.13 H new ATOM 141 N LEU A 10 1.615 -5.230 8.817 1.00 1.04 N ATOM 142 CA LEU A 10 1.941 -4.703 10.138 1.00 25.41 C ATOM 143 C LEU A 10 0.679 -4.286 10.885 1.00 11.12 C ATOM 144 O LEU A 10 0.384 -4.801 11.965 1.00 45.31 O ATOM 145 CB LEU A 10 2.891 -3.511 10.013 1.00 65.00 C ATOM 146 CG LEU A 10 4.383 -3.843 9.969 1.00 24.20 C ATOM 147 CD1 LEU A 10 5.208 -2.576 9.801 1.00 74.32 C ATOM 148 CD2 LEU A 10 4.801 -4.590 11.227 1.00 32.15 C ATOM 0 H LEU A 10 2.142 -4.808 8.053 1.00 1.04 H new ATOM 0 HA LEU A 10 2.432 -5.493 10.706 1.00 25.41 H new ATOM 0 HB2 LEU A 10 2.635 -2.961 9.107 1.00 65.00 H new ATOM 0 HB3 LEU A 10 2.713 -2.841 10.854 1.00 65.00 H new ATOM 0 HG LEU A 10 4.566 -4.488 9.110 1.00 24.20 H new ATOM 0 HD11 LEU A 10 6.267 -2.833 9.772 1.00 74.32 H new ATOM 0 HD12 LEU A 10 4.929 -2.081 8.871 1.00 74.32 H new ATOM 0 HD13 LEU A 10 5.020 -1.906 10.640 1.00 74.32 H new ATOM 0 HD21 LEU A 10 5.866 -4.818 11.178 1.00 32.15 H new ATOM 0 HD22 LEU A 10 4.602 -3.970 12.101 1.00 32.15 H new ATOM 0 HD23 LEU A 10 4.235 -5.518 11.304 1.00 32.15 H new ATOM 160 N LEU A 11 -0.065 -3.352 10.303 1.00 10.22 N ATOM 161 CA LEU A 11 -1.298 -2.866 10.912 1.00 34.35 C ATOM 162 C LEU A 11 -2.184 -4.029 11.350 1.00 3.44 C ATOM 163 O LEU A 11 -2.444 -4.211 12.540 1.00 51.23 O ATOM 164 CB LEU A 11 -2.058 -1.973 9.930 1.00 34.23 C ATOM 165 CG LEU A 11 -3.374 -1.383 10.440 1.00 43.33 C ATOM 166 CD1 LEU A 11 -3.173 0.054 10.895 1.00 3.32 C ATOM 167 CD2 LEU A 11 -4.445 -1.458 9.361 1.00 1.55 C ATOM 0 H LEU A 11 0.164 -2.916 9.410 1.00 10.22 H new ATOM 0 HA LEU A 11 -1.033 -2.282 11.794 1.00 34.35 H new ATOM 0 HB2 LEU A 11 -1.404 -1.152 9.636 1.00 34.23 H new ATOM 0 HB3 LEU A 11 -2.267 -2.552 9.030 1.00 34.23 H new ATOM 0 HG LEU A 11 -3.707 -1.970 11.296 1.00 43.33 H new ATOM 0 HD11 LEU A 11 -4.120 0.458 11.255 1.00 3.32 H new ATOM 0 HD12 LEU A 11 -2.438 0.082 11.699 1.00 3.32 H new ATOM 0 HD13 LEU A 11 -2.817 0.654 10.058 1.00 3.32 H new ATOM 0 HD21 LEU A 11 -5.375 -1.034 9.741 1.00 1.55 H new ATOM 0 HD22 LEU A 11 -4.120 -0.895 8.486 1.00 1.55 H new ATOM 0 HD23 LEU A 11 -4.608 -2.499 9.082 1.00 1.55 H new ATOM 179 N VAL A 12 -2.642 -4.814 10.381 1.00 33.42 N ATOM 180 CA VAL A 12 -3.496 -5.962 10.666 1.00 3.45 C ATOM 181 C VAL A 12 -2.950 -6.776 11.834 1.00 43.20 C ATOM 182 O VAL A 12 -3.681 -7.114 12.765 1.00 71.12 O ATOM 183 CB VAL A 12 -3.634 -6.878 9.436 1.00 11.12 C ATOM 184 CG1 VAL A 12 -4.472 -8.102 9.773 1.00 2.04 C ATOM 185 CG2 VAL A 12 -4.239 -6.113 8.268 1.00 24.23 C ATOM 0 H VAL A 12 -2.436 -4.677 9.391 1.00 33.42 H new ATOM 0 HA VAL A 12 -4.478 -5.569 10.928 1.00 3.45 H new ATOM 0 HB VAL A 12 -2.640 -7.217 9.144 1.00 11.12 H new ATOM 0 HG11 VAL A 12 -4.559 -8.738 8.892 1.00 2.04 H new ATOM 0 HG12 VAL A 12 -3.993 -8.660 10.577 1.00 2.04 H new ATOM 0 HG13 VAL A 12 -5.465 -7.786 10.092 1.00 2.04 H new ATOM 0 HG21 VAL A 12 -4.329 -6.775 7.407 1.00 24.23 H new ATOM 0 HG22 VAL A 12 -5.226 -5.744 8.547 1.00 24.23 H new ATOM 0 HG23 VAL A 12 -3.596 -5.271 8.012 1.00 24.23 H new ATOM 195 N PHE A 13 -1.659 -7.087 11.779 1.00 60.45 N ATOM 196 CA PHE A 13 -1.014 -7.863 12.832 1.00 42.14 C ATOM 197 C PHE A 13 -1.183 -7.185 14.188 1.00 40.41 C ATOM 198 O PHE A 13 -1.498 -7.836 15.184 1.00 24.04 O ATOM 199 CB PHE A 13 0.474 -8.045 12.522 1.00 55.13 C ATOM 200 CG PHE A 13 1.149 -9.059 13.400 1.00 1.32 C ATOM 201 CD1 PHE A 13 1.046 -10.413 13.124 1.00 11.41 C ATOM 202 CD2 PHE A 13 1.888 -8.658 14.502 1.00 52.12 C ATOM 203 CE1 PHE A 13 1.666 -11.347 13.931 1.00 31.54 C ATOM 204 CE2 PHE A 13 2.510 -9.588 15.312 1.00 25.35 C ATOM 205 CZ PHE A 13 2.400 -10.935 15.026 1.00 1.21 C ATOM 0 H PHE A 13 -1.039 -6.814 11.017 1.00 60.45 H new ATOM 0 HA PHE A 13 -1.492 -8.842 12.873 1.00 42.14 H new ATOM 0 HB2 PHE A 13 0.586 -8.346 11.480 1.00 55.13 H new ATOM 0 HB3 PHE A 13 0.980 -7.086 12.633 1.00 55.13 H new ATOM 0 HD1 PHE A 13 0.475 -10.742 12.268 1.00 11.41 H new ATOM 0 HD2 PHE A 13 1.979 -7.606 14.730 1.00 52.12 H new ATOM 0 HE1 PHE A 13 1.577 -12.399 13.706 1.00 31.54 H new ATOM 0 HE2 PHE A 13 3.082 -9.262 16.168 1.00 25.35 H new ATOM 0 HZ PHE A 13 2.887 -11.664 15.657 1.00 1.21 H new ATOM 215 N ILE A 14 -0.971 -5.873 14.217 1.00 34.23 N ATOM 216 CA ILE A 14 -1.101 -5.106 15.450 1.00 22.52 C ATOM 217 C ILE A 14 -2.539 -5.119 15.957 1.00 50.21 C ATOM 218 O ILE A 14 -2.803 -5.503 17.097 1.00 62.24 O ATOM 219 CB ILE A 14 -0.650 -3.647 15.255 1.00 5.14 C ATOM 220 CG1 ILE A 14 0.841 -3.592 14.914 1.00 71.33 C ATOM 221 CG2 ILE A 14 -0.942 -2.831 16.506 1.00 51.24 C ATOM 222 CD1 ILE A 14 1.739 -4.015 16.055 1.00 35.34 C ATOM 0 H ILE A 14 -0.709 -5.320 13.401 1.00 34.23 H new ATOM 0 HA ILE A 14 -0.455 -5.582 16.187 1.00 22.52 H new ATOM 0 HB ILE A 14 -1.210 -3.217 14.424 1.00 5.14 H new ATOM 0 HG12 ILE A 14 1.033 -4.234 14.055 1.00 71.33 H new ATOM 0 HG13 ILE A 14 1.100 -2.576 14.616 1.00 71.33 H new ATOM 0 HG21 ILE A 14 -0.618 -1.802 16.353 1.00 51.24 H new ATOM 0 HG22 ILE A 14 -2.013 -2.848 16.710 1.00 51.24 H new ATOM 0 HG23 ILE A 14 -0.405 -3.258 17.353 1.00 51.24 H new ATOM 0 HD11 ILE A 14 2.781 -3.951 15.741 1.00 35.34 H new ATOM 0 HD12 ILE A 14 1.576 -3.358 16.909 1.00 35.34 H new ATOM 0 HD13 ILE A 14 1.508 -5.042 16.338 1.00 35.34 H new ATOM 234 N ILE A 15 -3.465 -4.698 15.102 1.00 11.32 N ATOM 235 CA ILE A 15 -4.877 -4.663 15.462 1.00 31.25 C ATOM 236 C ILE A 15 -5.342 -6.015 15.993 1.00 32.00 C ATOM 237 O ILE A 15 -6.237 -6.089 16.834 1.00 30.11 O ATOM 238 CB ILE A 15 -5.755 -4.266 14.261 1.00 71.20 C ATOM 239 CG1 ILE A 15 -5.250 -2.961 13.642 1.00 72.44 C ATOM 240 CG2 ILE A 15 -7.208 -4.128 14.690 1.00 52.13 C ATOM 241 CD1 ILE A 15 -5.056 -1.850 14.649 1.00 10.20 C ATOM 0 H ILE A 15 -3.263 -4.376 14.155 1.00 11.32 H new ATOM 0 HA ILE A 15 -4.985 -3.911 16.244 1.00 31.25 H new ATOM 0 HB ILE A 15 -5.692 -5.052 13.508 1.00 71.20 H new ATOM 0 HG12 ILE A 15 -4.304 -3.151 13.136 1.00 72.44 H new ATOM 0 HG13 ILE A 15 -5.958 -2.631 12.881 1.00 72.44 H new ATOM 0 HG21 ILE A 15 -7.816 -3.847 13.830 1.00 52.13 H new ATOM 0 HG22 ILE A 15 -7.561 -5.079 15.089 1.00 52.13 H new ATOM 0 HG23 ILE A 15 -7.289 -3.359 15.458 1.00 52.13 H new ATOM 0 HD11 ILE A 15 -4.697 -0.956 14.140 1.00 10.20 H new ATOM 0 HD12 ILE A 15 -6.005 -1.632 15.138 1.00 10.20 H new ATOM 0 HD13 ILE A 15 -4.326 -2.160 15.396 1.00 10.20 H new ATOM 253 N GLY A 16 -4.726 -7.084 15.496 1.00 14.41 N ATOM 254 CA GLY A 16 -5.089 -8.419 15.933 1.00 75.01 C ATOM 255 C GLY A 16 -4.804 -8.646 17.404 1.00 2.42 C ATOM 256 O GLY A 16 -5.560 -9.332 18.093 1.00 61.33 O ATOM 0 H GLY A 16 -3.982 -7.049 14.799 1.00 14.41 H new ATOM 0 HA2 GLY A 16 -6.149 -8.585 15.742 1.00 75.01 H new ATOM 0 HA3 GLY A 16 -4.540 -9.153 15.343 1.00 75.01 H new ATOM 260 N LEU A 17 -3.709 -8.069 17.888 1.00 31.21 N ATOM 261 CA LEU A 17 -3.324 -8.213 19.288 1.00 42.22 C ATOM 262 C LEU A 17 -4.079 -7.220 20.165 1.00 11.22 C ATOM 263 O LEU A 17 -4.514 -7.555 21.267 1.00 13.41 O ATOM 264 CB LEU A 17 -1.816 -8.007 19.446 1.00 53.31 C ATOM 265 CG LEU A 17 -0.940 -8.579 18.331 1.00 30.22 C ATOM 266 CD1 LEU A 17 0.529 -8.306 18.614 1.00 41.14 C ATOM 267 CD2 LEU A 17 -1.186 -10.073 18.173 1.00 2.44 C ATOM 0 H LEU A 17 -3.073 -7.498 17.332 1.00 31.21 H new ATOM 0 HA LEU A 17 -3.582 -9.222 19.609 1.00 42.22 H new ATOM 0 HB2 LEU A 17 -1.622 -6.937 19.521 1.00 53.31 H new ATOM 0 HB3 LEU A 17 -1.505 -8.454 20.390 1.00 53.31 H new ATOM 0 HG LEU A 17 -1.207 -8.086 17.396 1.00 30.22 H new ATOM 0 HD11 LEU A 17 1.137 -8.720 17.810 1.00 41.14 H new ATOM 0 HD12 LEU A 17 0.694 -7.230 18.676 1.00 41.14 H new ATOM 0 HD13 LEU A 17 0.810 -8.772 19.559 1.00 41.14 H new ATOM 0 HD21 LEU A 17 -0.554 -10.463 17.375 1.00 2.44 H new ATOM 0 HD22 LEU A 17 -0.947 -10.582 19.107 1.00 2.44 H new ATOM 0 HD23 LEU A 17 -2.233 -10.245 17.924 1.00 2.44 H new ATOM 279 N VAL A 18 -4.233 -5.997 19.668 1.00 12.41 N ATOM 280 CA VAL A 18 -4.939 -4.955 20.405 1.00 31.20 C ATOM 281 C VAL A 18 -6.434 -5.247 20.473 1.00 61.11 C ATOM 282 O VAL A 18 -7.133 -4.758 21.360 1.00 14.20 O ATOM 283 CB VAL A 18 -4.726 -3.571 19.764 1.00 70.13 C ATOM 284 CG1 VAL A 18 -3.289 -3.418 19.289 1.00 51.11 C ATOM 285 CG2 VAL A 18 -5.701 -3.361 18.615 1.00 11.22 C ATOM 0 H VAL A 18 -3.878 -5.703 18.758 1.00 12.41 H new ATOM 0 HA VAL A 18 -4.527 -4.947 21.414 1.00 31.20 H new ATOM 0 HB VAL A 18 -4.918 -2.807 20.518 1.00 70.13 H new ATOM 0 HG11 VAL A 18 -3.157 -2.434 18.839 1.00 51.11 H new ATOM 0 HG12 VAL A 18 -2.612 -3.523 20.137 1.00 51.11 H new ATOM 0 HG13 VAL A 18 -3.066 -4.188 18.550 1.00 51.11 H new ATOM 0 HG21 VAL A 18 -5.537 -2.378 18.173 1.00 11.22 H new ATOM 0 HG22 VAL A 18 -5.543 -4.130 17.859 1.00 11.22 H new ATOM 0 HG23 VAL A 18 -6.723 -3.425 18.989 1.00 11.22 H new ATOM 295 N VAL A 19 -6.918 -6.049 19.530 1.00 52.45 N ATOM 296 CA VAL A 19 -8.330 -6.408 19.483 1.00 55.24 C ATOM 297 C VAL A 19 -8.576 -7.760 20.142 1.00 63.42 C ATOM 298 O VAL A 19 -9.412 -7.885 21.037 1.00 13.53 O ATOM 299 CB VAL A 19 -8.850 -6.454 18.033 1.00 11.33 C ATOM 300 CG1 VAL A 19 -10.248 -7.052 17.986 1.00 63.14 C ATOM 301 CG2 VAL A 19 -8.836 -5.062 17.418 1.00 23.34 C ATOM 0 H VAL A 19 -6.353 -6.462 18.788 1.00 52.45 H new ATOM 0 HA VAL A 19 -8.871 -5.636 20.031 1.00 55.24 H new ATOM 0 HB VAL A 19 -8.188 -7.092 17.448 1.00 11.33 H new ATOM 0 HG11 VAL A 19 -10.599 -7.076 16.954 1.00 63.14 H new ATOM 0 HG12 VAL A 19 -10.224 -8.066 18.385 1.00 63.14 H new ATOM 0 HG13 VAL A 19 -10.925 -6.443 18.585 1.00 63.14 H new ATOM 0 HG21 VAL A 19 -9.206 -5.113 16.394 1.00 23.34 H new ATOM 0 HG22 VAL A 19 -9.475 -4.400 18.002 1.00 23.34 H new ATOM 0 HG23 VAL A 19 -7.817 -4.675 17.417 1.00 23.34 H new ATOM 311 N LEU A 20 -7.841 -8.772 19.694 1.00 61.42 N ATOM 312 CA LEU A 20 -7.978 -10.118 20.241 1.00 45.04 C ATOM 313 C LEU A 20 -7.248 -10.240 21.575 1.00 70.34 C ATOM 314 O LEU A 20 -7.286 -11.287 22.221 1.00 43.43 O ATOM 315 CB LEU A 20 -7.432 -11.149 19.252 1.00 71.55 C ATOM 316 CG LEU A 20 -7.955 -12.577 19.414 1.00 72.12 C ATOM 317 CD1 LEU A 20 -9.444 -12.568 19.724 1.00 21.05 C ATOM 318 CD2 LEU A 20 -7.675 -13.394 18.161 1.00 40.54 C ATOM 0 H LEU A 20 -7.144 -8.686 18.954 1.00 61.42 H new ATOM 0 HA LEU A 20 -9.038 -10.310 20.409 1.00 45.04 H new ATOM 0 HB2 LEU A 20 -7.663 -10.811 18.242 1.00 71.55 H new ATOM 0 HB3 LEU A 20 -6.346 -11.169 19.341 1.00 71.55 H new ATOM 0 HG LEU A 20 -7.433 -13.041 20.250 1.00 72.12 H new ATOM 0 HD11 LEU A 20 -9.799 -13.593 19.836 1.00 21.05 H new ATOM 0 HD12 LEU A 20 -9.620 -12.020 20.650 1.00 21.05 H new ATOM 0 HD13 LEU A 20 -9.982 -12.085 18.909 1.00 21.05 H new ATOM 0 HD21 LEU A 20 -8.054 -14.407 18.295 1.00 40.54 H new ATOM 0 HD22 LEU A 20 -8.170 -12.931 17.307 1.00 40.54 H new ATOM 0 HD23 LEU A 20 -6.600 -13.430 17.982 1.00 40.54 H new ATOM 330 N GLY A 21 -6.585 -9.162 21.982 1.00 15.12 N ATOM 331 CA GLY A 21 -5.858 -9.169 23.238 1.00 15.32 C ATOM 332 C GLY A 21 -4.678 -10.119 23.220 1.00 62.25 C ATOM 333 O GLY A 21 -4.783 -11.265 22.783 1.00 71.43 O ATOM 0 H GLY A 21 -6.538 -8.284 21.465 1.00 15.12 H new ATOM 0 HA2 GLY A 21 -5.505 -8.161 23.456 1.00 15.32 H new ATOM 0 HA3 GLY A 21 -6.535 -9.451 24.044 1.00 15.32 H new ATOM 337 N PRO A 22 -3.521 -9.641 23.701 1.00 22.34 N ATOM 338 CA PRO A 22 -2.293 -10.440 23.748 1.00 24.20 C ATOM 339 C PRO A 22 -2.370 -11.563 24.777 1.00 72.24 C ATOM 340 O PRO A 22 -1.435 -12.351 24.920 1.00 14.40 O ATOM 341 CB PRO A 22 -1.222 -9.422 24.148 1.00 11.20 C ATOM 342 CG PRO A 22 -1.965 -8.359 24.881 1.00 13.00 C ATOM 343 CD PRO A 22 -3.323 -8.285 24.238 1.00 3.52 C ATOM 0 HA PRO A 22 -2.095 -10.938 22.799 1.00 24.20 H new ATOM 0 HB2 PRO A 22 -0.458 -9.878 24.778 1.00 11.20 H new ATOM 0 HB3 PRO A 22 -0.713 -9.018 23.273 1.00 11.20 H new ATOM 0 HG2 PRO A 22 -2.048 -8.600 25.941 1.00 13.00 H new ATOM 0 HG3 PRO A 22 -1.447 -7.402 24.811 1.00 13.00 H new ATOM 0 HD2 PRO A 22 -4.096 -8.022 24.960 1.00 3.52 H new ATOM 0 HD3 PRO A 22 -3.354 -7.532 23.450 1.00 3.52 H new ATOM 351 N GLN A 23 -3.490 -11.631 25.489 1.00 53.41 N ATOM 352 CA GLN A 23 -3.688 -12.658 26.504 1.00 35.14 C ATOM 353 C GLN A 23 -3.731 -14.046 25.874 1.00 44.04 C ATOM 354 O GLN A 23 -3.195 -15.006 26.427 1.00 64.42 O ATOM 355 CB GLN A 23 -4.982 -12.397 27.278 1.00 22.24 C ATOM 356 CG GLN A 23 -4.880 -11.243 28.263 1.00 65.51 C ATOM 357 CD GLN A 23 -3.855 -11.495 29.352 1.00 52.42 C ATOM 358 OE1 GLN A 23 -2.771 -10.911 29.346 1.00 23.35 O ATOM 359 NE2 GLN A 23 -4.194 -12.366 30.294 1.00 33.43 N ATOM 0 H GLN A 23 -4.274 -10.987 25.382 1.00 53.41 H new ATOM 0 HA GLN A 23 -2.845 -12.618 27.194 1.00 35.14 H new ATOM 0 HB2 GLN A 23 -5.784 -12.189 26.569 1.00 22.24 H new ATOM 0 HB3 GLN A 23 -5.261 -13.302 27.819 1.00 22.24 H new ATOM 0 HG2 GLN A 23 -4.616 -10.333 27.725 1.00 65.51 H new ATOM 0 HG3 GLN A 23 -5.855 -11.072 28.719 1.00 65.51 H new ATOM 0 HE21 GLN A 23 -5.103 -12.827 30.259 1.00 33.43 H new ATOM 0 HE22 GLN A 23 -3.545 -12.575 31.053 1.00 33.43 H new ATOM 368 N ARG A 24 -4.371 -14.144 24.713 1.00 11.03 N ATOM 369 CA ARG A 24 -4.484 -15.415 24.008 1.00 14.01 C ATOM 370 C ARG A 24 -4.157 -15.246 22.527 1.00 34.23 C ATOM 371 O ARG A 24 -4.912 -15.688 21.660 1.00 41.25 O ATOM 372 CB ARG A 24 -5.894 -15.987 24.168 1.00 30.41 C ATOM 373 CG ARG A 24 -6.992 -14.941 24.063 1.00 23.24 C ATOM 374 CD ARG A 24 -7.365 -14.669 22.615 1.00 53.23 C ATOM 375 NE ARG A 24 -8.511 -13.770 22.505 1.00 42.43 N ATOM 376 CZ ARG A 24 -9.750 -14.114 22.838 1.00 3.54 C ATOM 377 NH1 ARG A 24 -10.002 -15.330 23.301 1.00 23.21 N ATOM 378 NH2 ARG A 24 -10.740 -13.239 22.710 1.00 23.30 N ATOM 0 H ARG A 24 -4.819 -13.359 24.241 1.00 11.03 H new ATOM 0 HA ARG A 24 -3.766 -16.109 24.444 1.00 14.01 H new ATOM 0 HB2 ARG A 24 -6.056 -16.749 23.406 1.00 30.41 H new ATOM 0 HB3 ARG A 24 -5.968 -16.483 25.136 1.00 30.41 H new ATOM 0 HG2 ARG A 24 -7.872 -15.280 24.609 1.00 23.24 H new ATOM 0 HG3 ARG A 24 -6.661 -14.016 24.535 1.00 23.24 H new ATOM 0 HD2 ARG A 24 -6.511 -14.233 22.096 1.00 53.23 H new ATOM 0 HD3 ARG A 24 -7.594 -15.611 22.116 1.00 53.23 H new ATOM 0 HE ARG A 24 -8.351 -12.826 22.153 1.00 42.43 H new ATOM 0 HH11 ARG A 24 -9.244 -16.004 23.402 1.00 23.21 H new ATOM 0 HH12 ARG A 24 -10.954 -15.591 23.556 1.00 23.21 H new ATOM 0 HH21 ARG A 24 -10.550 -12.302 22.356 1.00 23.30 H new ATOM 0 HH22 ARG A 24 -11.691 -13.504 22.966 1.00 23.30 H new ATOM 392 N LEU A 25 -3.029 -14.604 22.245 1.00 30.35 N ATOM 393 CA LEU A 25 -2.602 -14.376 20.869 1.00 23.34 C ATOM 394 C LEU A 25 -2.124 -15.674 20.225 1.00 1.25 C ATOM 395 O LEU A 25 -2.591 -16.075 19.159 1.00 4.01 O ATOM 396 CB LEU A 25 -1.485 -13.332 20.828 1.00 50.42 C ATOM 397 CG LEU A 25 -0.728 -13.210 19.505 1.00 74.24 C ATOM 398 CD1 LEU A 25 0.430 -14.194 19.460 1.00 24.01 C ATOM 399 CD2 LEU A 25 -1.669 -13.437 18.330 1.00 63.32 C ATOM 0 H LEU A 25 -2.393 -14.232 22.951 1.00 30.35 H new ATOM 0 HA LEU A 25 -3.458 -14.006 20.305 1.00 23.34 H new ATOM 0 HB2 LEU A 25 -1.915 -12.360 21.068 1.00 50.42 H new ATOM 0 HB3 LEU A 25 -0.767 -13.566 21.614 1.00 50.42 H new ATOM 0 HG LEU A 25 -0.323 -12.201 19.432 1.00 74.24 H new ATOM 0 HD11 LEU A 25 0.957 -14.093 18.511 1.00 24.01 H new ATOM 0 HD12 LEU A 25 1.117 -13.986 20.281 1.00 24.01 H new ATOM 0 HD13 LEU A 25 0.048 -15.210 19.556 1.00 24.01 H new ATOM 0 HD21 LEU A 25 -1.114 -13.346 17.396 1.00 63.32 H new ATOM 0 HD22 LEU A 25 -2.103 -14.435 18.399 1.00 63.32 H new ATOM 0 HD23 LEU A 25 -2.465 -12.693 18.352 1.00 63.32 H new ATOM 411 N PRO A 26 -1.172 -16.348 20.888 1.00 74.20 N ATOM 412 CA PRO A 26 -0.613 -17.612 20.400 1.00 24.12 C ATOM 413 C PRO A 26 -1.616 -18.758 20.477 1.00 64.13 C ATOM 414 O PRO A 26 -1.352 -19.860 19.995 1.00 33.22 O ATOM 415 CB PRO A 26 0.564 -17.867 21.345 1.00 30.35 C ATOM 416 CG PRO A 26 0.209 -17.140 22.596 1.00 24.14 C ATOM 417 CD PRO A 26 -0.570 -15.929 22.165 1.00 50.14 C ATOM 0 HA PRO A 26 -0.329 -17.553 19.349 1.00 24.12 H new ATOM 0 HB2 PRO A 26 0.699 -18.933 21.531 1.00 30.35 H new ATOM 0 HB3 PRO A 26 1.498 -17.496 20.923 1.00 30.35 H new ATOM 0 HG2 PRO A 26 -0.384 -17.770 23.258 1.00 24.14 H new ATOM 0 HG3 PRO A 26 1.104 -16.852 23.147 1.00 24.14 H new ATOM 0 HD2 PRO A 26 -1.330 -15.658 22.898 1.00 50.14 H new ATOM 0 HD3 PRO A 26 0.075 -15.060 22.039 1.00 50.14 H new ATOM 425 N VAL A 27 -2.767 -18.491 21.085 1.00 72.13 N ATOM 426 CA VAL A 27 -3.811 -19.500 21.223 1.00 42.13 C ATOM 427 C VAL A 27 -4.362 -19.910 19.862 1.00 63.52 C ATOM 428 O VAL A 27 -4.487 -21.098 19.564 1.00 1.11 O ATOM 429 CB VAL A 27 -4.969 -18.992 22.101 1.00 34.34 C ATOM 430 CG1 VAL A 27 -6.142 -19.959 22.050 1.00 73.41 C ATOM 431 CG2 VAL A 27 -4.500 -18.786 23.534 1.00 74.02 C ATOM 0 H VAL A 27 -3.001 -17.584 21.490 1.00 72.13 H new ATOM 0 HA VAL A 27 -3.354 -20.365 21.702 1.00 42.13 H new ATOM 0 HB VAL A 27 -5.304 -18.031 21.710 1.00 34.34 H new ATOM 0 HG11 VAL A 27 -6.951 -19.583 22.677 1.00 73.41 H new ATOM 0 HG12 VAL A 27 -6.492 -20.052 21.022 1.00 73.41 H new ATOM 0 HG13 VAL A 27 -5.824 -20.936 22.415 1.00 73.41 H new ATOM 0 HG21 VAL A 27 -5.331 -18.427 24.141 1.00 74.02 H new ATOM 0 HG22 VAL A 27 -4.138 -19.731 23.938 1.00 74.02 H new ATOM 0 HG23 VAL A 27 -3.694 -18.052 23.551 1.00 74.02 H new ATOM 441 N ALA A 28 -4.689 -18.920 19.039 1.00 51.33 N ATOM 442 CA ALA A 28 -5.224 -19.178 17.708 1.00 54.33 C ATOM 443 C ALA A 28 -4.205 -19.905 16.838 1.00 71.14 C ATOM 444 O ALA A 28 -4.490 -20.969 16.288 1.00 71.13 O ATOM 445 CB ALA A 28 -5.650 -17.874 17.048 1.00 23.12 C ATOM 0 H ALA A 28 -4.593 -17.931 19.270 1.00 51.33 H new ATOM 0 HA ALA A 28 -6.097 -19.821 17.813 1.00 54.33 H new ATOM 0 HB1 ALA A 28 -6.048 -18.082 16.055 1.00 23.12 H new ATOM 0 HB2 ALA A 28 -6.419 -17.394 17.653 1.00 23.12 H new ATOM 0 HB3 ALA A 28 -4.789 -17.211 16.963 1.00 23.12 H new ATOM 451 N VAL A 29 -3.016 -19.324 16.716 1.00 23.21 N ATOM 452 CA VAL A 29 -1.954 -19.918 15.913 1.00 45.43 C ATOM 453 C VAL A 29 -1.699 -21.364 16.320 1.00 32.54 C ATOM 454 O VAL A 29 -1.744 -22.272 15.490 1.00 20.40 O ATOM 455 CB VAL A 29 -0.641 -19.121 16.041 1.00 73.41 C ATOM 456 CG1 VAL A 29 0.410 -19.667 15.086 1.00 13.50 C ATOM 457 CG2 VAL A 29 -0.889 -17.642 15.786 1.00 30.32 C ATOM 0 H VAL A 29 -2.764 -18.443 17.163 1.00 23.21 H new ATOM 0 HA VAL A 29 -2.289 -19.890 14.876 1.00 45.43 H new ATOM 0 HB VAL A 29 -0.266 -19.233 17.058 1.00 73.41 H new ATOM 0 HG11 VAL A 29 1.330 -19.092 15.190 1.00 13.50 H new ATOM 0 HG12 VAL A 29 0.607 -20.713 15.321 1.00 13.50 H new ATOM 0 HG13 VAL A 29 0.047 -19.588 14.061 1.00 13.50 H new ATOM 0 HG21 VAL A 29 0.049 -17.094 15.880 1.00 30.32 H new ATOM 0 HG22 VAL A 29 -1.288 -17.508 14.780 1.00 30.32 H new ATOM 0 HG23 VAL A 29 -1.606 -17.262 16.514 1.00 30.32 H new ATOM 467 N LYS A 30 -1.432 -21.573 17.605 1.00 33.12 N ATOM 468 CA LYS A 30 -1.172 -22.910 18.126 1.00 72.02 C ATOM 469 C LYS A 30 -2.312 -23.861 17.776 1.00 70.41 C ATOM 470 O LYS A 30 -2.082 -24.980 17.314 1.00 11.31 O ATOM 471 CB LYS A 30 -0.983 -22.861 19.644 1.00 43.35 C ATOM 472 CG LYS A 30 0.324 -22.216 20.073 1.00 61.43 C ATOM 473 CD LYS A 30 1.399 -23.257 20.336 1.00 61.50 C ATOM 474 CE LYS A 30 2.771 -22.764 19.903 1.00 1.11 C ATOM 475 NZ LYS A 30 3.844 -23.738 20.244 1.00 22.41 N ATOM 0 H LYS A 30 -1.390 -20.833 18.305 1.00 33.12 H new ATOM 0 HA LYS A 30 -0.257 -23.281 17.664 1.00 72.02 H new ATOM 0 HB2 LYS A 30 -1.813 -22.311 20.088 1.00 43.35 H new ATOM 0 HB3 LYS A 30 -1.025 -23.876 20.040 1.00 43.35 H new ATOM 0 HG2 LYS A 30 0.663 -21.529 19.298 1.00 61.43 H new ATOM 0 HG3 LYS A 30 0.161 -21.625 20.974 1.00 61.43 H new ATOM 0 HD2 LYS A 30 1.418 -23.502 21.398 1.00 61.50 H new ATOM 0 HD3 LYS A 30 1.156 -24.175 19.802 1.00 61.50 H new ATOM 0 HE2 LYS A 30 2.770 -22.587 18.828 1.00 1.11 H new ATOM 0 HE3 LYS A 30 2.982 -21.809 20.384 1.00 1.11 H new ATOM 0 HZ1 LYS A 30 4.763 -23.365 19.932 1.00 22.41 H new ATOM 0 HZ2 LYS A 30 3.862 -23.888 21.273 1.00 22.41 H new ATOM 0 HZ3 LYS A 30 3.657 -24.642 19.765 1.00 22.41 H new ATOM 489 N THR A 31 -3.543 -23.410 17.997 1.00 22.23 N ATOM 490 CA THR A 31 -4.718 -24.221 17.705 1.00 12.12 C ATOM 491 C THR A 31 -4.741 -24.649 16.242 1.00 12.23 C ATOM 492 O THR A 31 -4.634 -25.835 15.930 1.00 1.22 O ATOM 493 CB THR A 31 -6.019 -23.461 18.027 1.00 41.25 C ATOM 494 OG1 THR A 31 -6.137 -23.268 19.440 1.00 10.15 O ATOM 495 CG2 THR A 31 -7.231 -24.221 17.510 1.00 13.32 C ATOM 0 H THR A 31 -3.752 -22.487 18.377 1.00 22.23 H new ATOM 0 HA THR A 31 -4.657 -25.106 18.338 1.00 12.12 H new ATOM 0 HB THR A 31 -5.980 -22.491 17.531 1.00 41.25 H new ATOM 0 HG1 THR A 31 -5.581 -22.509 19.714 1.00 10.15 H new ATOM 0 HG21 THR A 31 -8.138 -23.665 17.749 1.00 13.32 H new ATOM 0 HG22 THR A 31 -7.152 -24.340 16.429 1.00 13.32 H new ATOM 0 HG23 THR A 31 -7.273 -25.203 17.981 1.00 13.32 H new ATOM 503 N VAL A 32 -4.881 -23.675 15.348 1.00 72.41 N ATOM 504 CA VAL A 32 -4.916 -23.952 13.917 1.00 54.43 C ATOM 505 C VAL A 32 -3.790 -24.896 13.511 1.00 34.04 C ATOM 506 O VAL A 32 -4.037 -26.014 13.061 1.00 65.40 O ATOM 507 CB VAL A 32 -4.806 -22.655 13.092 1.00 32.31 C ATOM 508 CG1 VAL A 32 -4.947 -22.953 11.607 1.00 23.32 C ATOM 509 CG2 VAL A 32 -5.852 -21.647 13.543 1.00 10.12 C ATOM 0 H VAL A 32 -4.972 -22.688 15.589 1.00 72.41 H new ATOM 0 HA VAL A 32 -5.875 -24.426 13.710 1.00 54.43 H new ATOM 0 HB VAL A 32 -3.820 -22.221 13.259 1.00 32.31 H new ATOM 0 HG11 VAL A 32 -4.867 -22.025 11.040 1.00 23.32 H new ATOM 0 HG12 VAL A 32 -4.157 -23.637 11.297 1.00 23.32 H new ATOM 0 HG13 VAL A 32 -5.918 -23.410 11.418 1.00 23.32 H new ATOM 0 HG21 VAL A 32 -5.760 -20.737 12.950 1.00 10.12 H new ATOM 0 HG22 VAL A 32 -6.847 -22.070 13.407 1.00 10.12 H new ATOM 0 HG23 VAL A 32 -5.699 -21.411 14.596 1.00 10.12 H new ATOM 519 N ALA A 33 -2.554 -24.438 13.675 1.00 24.02 N ATOM 520 CA ALA A 33 -1.389 -25.243 13.329 1.00 42.01 C ATOM 521 C ALA A 33 -1.420 -26.589 14.044 1.00 24.40 C ATOM 522 O ALA A 33 -0.802 -27.555 13.597 1.00 32.00 O ATOM 523 CB ALA A 33 -0.109 -24.493 13.667 1.00 12.43 C ATOM 0 H ALA A 33 -2.333 -23.514 14.045 1.00 24.02 H new ATOM 0 HA ALA A 33 -1.414 -25.431 12.256 1.00 42.01 H new ATOM 0 HB1 ALA A 33 0.753 -25.106 13.403 1.00 12.43 H new ATOM 0 HB2 ALA A 33 -0.075 -23.559 13.106 1.00 12.43 H new ATOM 0 HB3 ALA A 33 -0.086 -24.275 14.735 1.00 12.43 H new ATOM 529 N GLY A 34 -2.143 -26.646 15.159 1.00 64.14 N ATOM 530 CA GLY A 34 -2.239 -27.879 15.918 1.00 13.11 C ATOM 531 C GLY A 34 -2.885 -28.998 15.126 1.00 34.53 C ATOM 532 O GLY A 34 -2.226 -29.973 14.765 1.00 45.21 O ATOM 0 H GLY A 34 -2.663 -25.861 15.550 1.00 64.14 H new ATOM 0 HA2 GLY A 34 -1.242 -28.188 16.231 1.00 13.11 H new ATOM 0 HA3 GLY A 34 -2.816 -27.700 16.825 1.00 13.11 H new ATOM 536 N TRP A 35 -4.179 -28.861 14.858 1.00 44.33 N ATOM 537 CA TRP A 35 -4.915 -29.870 14.105 1.00 65.20 C ATOM 538 C TRP A 35 -4.552 -29.817 12.625 1.00 61.50 C ATOM 539 O TRP A 35 -4.765 -30.782 11.890 1.00 64.30 O ATOM 540 CB TRP A 35 -6.421 -29.670 14.281 1.00 24.22 C ATOM 541 CG TRP A 35 -6.861 -28.254 14.067 1.00 42.44 C ATOM 542 CD1 TRP A 35 -6.925 -27.264 15.006 1.00 64.13 C ATOM 543 CD2 TRP A 35 -7.300 -27.670 12.835 1.00 11.13 C ATOM 544 NE1 TRP A 35 -7.377 -26.100 14.432 1.00 32.33 N ATOM 545 CE2 TRP A 35 -7.614 -26.323 13.102 1.00 42.35 C ATOM 546 CE3 TRP A 35 -7.457 -28.153 11.534 1.00 60.34 C ATOM 547 CZ2 TRP A 35 -8.076 -25.457 12.114 1.00 64.14 C ATOM 548 CZ3 TRP A 35 -7.916 -27.293 10.554 1.00 22.04 C ATOM 549 CH2 TRP A 35 -8.220 -25.957 10.848 1.00 20.11 C ATOM 0 H TRP A 35 -4.740 -28.061 15.151 1.00 44.33 H new ATOM 0 HA TRP A 35 -4.638 -30.850 14.493 1.00 65.20 H new ATOM 0 HB2 TRP A 35 -6.950 -30.317 13.582 1.00 24.22 H new ATOM 0 HB3 TRP A 35 -6.707 -29.984 15.285 1.00 24.22 H new ATOM 0 HD1 TRP A 35 -6.659 -27.379 16.046 1.00 64.13 H new ATOM 0 HE1 TRP A 35 -7.514 -25.214 14.918 1.00 32.33 H new ATOM 0 HE3 TRP A 35 -7.224 -29.181 11.298 1.00 60.34 H new ATOM 0 HZ2 TRP A 35 -8.312 -24.427 12.339 1.00 64.14 H new ATOM 0 HZ3 TRP A 35 -8.042 -27.657 9.545 1.00 22.04 H new ATOM 0 HH2 TRP A 35 -8.575 -25.309 10.060 1.00 20.11 H new ATOM 560 N ILE A 36 -4.004 -28.686 12.194 1.00 21.25 N ATOM 561 CA ILE A 36 -3.611 -28.510 10.802 1.00 41.11 C ATOM 562 C ILE A 36 -2.410 -29.384 10.455 1.00 54.43 C ATOM 563 O ILE A 36 -2.425 -30.110 9.461 1.00 52.02 O ATOM 564 CB ILE A 36 -3.268 -27.040 10.496 1.00 63.14 C ATOM 565 CG1 ILE A 36 -4.544 -26.242 10.221 1.00 60.23 C ATOM 566 CG2 ILE A 36 -2.317 -26.954 9.311 1.00 51.01 C ATOM 567 CD1 ILE A 36 -5.270 -26.676 8.967 1.00 63.45 C ATOM 0 H ILE A 36 -3.822 -27.878 12.789 1.00 21.25 H new ATOM 0 HA ILE A 36 -4.463 -28.810 10.193 1.00 41.11 H new ATOM 0 HB ILE A 36 -2.773 -26.609 11.366 1.00 63.14 H new ATOM 0 HG12 ILE A 36 -5.216 -26.342 11.073 1.00 60.23 H new ATOM 0 HG13 ILE A 36 -4.291 -25.185 10.137 1.00 60.23 H new ATOM 0 HG21 ILE A 36 -2.084 -25.909 9.107 1.00 51.01 H new ATOM 0 HG22 ILE A 36 -1.398 -27.492 9.542 1.00 51.01 H new ATOM 0 HG23 ILE A 36 -2.787 -27.399 8.434 1.00 51.01 H new ATOM 0 HD11 ILE A 36 -6.164 -26.067 8.835 1.00 63.45 H new ATOM 0 HD12 ILE A 36 -4.615 -26.550 8.105 1.00 63.45 H new ATOM 0 HD13 ILE A 36 -5.555 -27.724 9.056 1.00 63.45 H new ATOM 579 N ARG A 37 -1.372 -29.309 11.281 1.00 34.13 N ATOM 580 CA ARG A 37 -0.163 -30.094 11.062 1.00 13.32 C ATOM 581 C ARG A 37 -0.407 -31.567 11.375 1.00 31.15 C ATOM 582 O ARG A 37 0.141 -32.451 10.718 1.00 44.33 O ATOM 583 CB ARG A 37 0.980 -29.560 11.927 1.00 43.12 C ATOM 584 CG ARG A 37 1.661 -28.332 11.345 1.00 4.22 C ATOM 585 CD ARG A 37 2.309 -28.637 10.004 1.00 43.13 C ATOM 586 NE ARG A 37 3.764 -28.519 10.059 1.00 51.41 N ATOM 587 CZ ARG A 37 4.553 -28.654 8.999 1.00 71.01 C ATOM 588 NH1 ARG A 37 4.030 -28.911 7.808 1.00 43.43 N ATOM 589 NH2 ARG A 37 5.868 -28.532 9.129 1.00 32.22 N ATOM 0 H ARG A 37 -1.344 -28.713 12.108 1.00 34.13 H new ATOM 0 HA ARG A 37 0.113 -30.005 10.011 1.00 13.32 H new ATOM 0 HB2 ARG A 37 0.592 -29.316 12.916 1.00 43.12 H new ATOM 0 HB3 ARG A 37 1.722 -30.347 12.061 1.00 43.12 H new ATOM 0 HG2 ARG A 37 0.930 -27.533 11.224 1.00 4.22 H new ATOM 0 HG3 ARG A 37 2.417 -27.970 12.042 1.00 4.22 H new ATOM 0 HD2 ARG A 37 2.039 -29.646 9.692 1.00 43.13 H new ATOM 0 HD3 ARG A 37 1.918 -27.955 9.249 1.00 43.13 H new ATOM 0 HE ARG A 37 4.198 -28.322 10.961 1.00 51.41 H new ATOM 0 HH11 ARG A 37 3.020 -29.005 7.704 1.00 43.43 H new ATOM 0 HH12 ARG A 37 4.638 -29.014 6.996 1.00 43.43 H new ATOM 0 HH21 ARG A 37 6.274 -28.334 10.044 1.00 32.22 H new ATOM 0 HH22 ARG A 37 6.473 -28.636 8.314 1.00 32.22 H new ATOM 603 N ALA A 38 -1.233 -31.823 12.385 1.00 70.33 N ATOM 604 CA ALA A 38 -1.551 -33.189 12.784 1.00 5.32 C ATOM 605 C ALA A 38 -2.265 -33.936 11.664 1.00 71.44 C ATOM 606 O ALA A 38 -1.833 -35.012 11.247 1.00 31.11 O ATOM 607 CB ALA A 38 -2.401 -33.185 14.045 1.00 35.24 C ATOM 0 H ALA A 38 -1.694 -31.103 12.941 1.00 70.33 H new ATOM 0 HA ALA A 38 -0.615 -33.708 12.991 1.00 5.32 H new ATOM 0 HB1 ALA A 38 -2.631 -34.211 14.332 1.00 35.24 H new ATOM 0 HB2 ALA A 38 -1.853 -32.697 14.851 1.00 35.24 H new ATOM 0 HB3 ALA A 38 -3.328 -32.644 13.857 1.00 35.24 H new ATOM 613 N LEU A 39 -3.360 -33.361 11.180 1.00 75.32 N ATOM 614 CA LEU A 39 -4.136 -33.974 10.107 1.00 72.10 C ATOM 615 C LEU A 39 -3.333 -34.018 8.811 1.00 52.21 C ATOM 616 O LEU A 39 -3.393 -34.995 8.065 1.00 64.40 O ATOM 617 CB LEU A 39 -5.439 -33.202 9.888 1.00 65.34 C ATOM 618 CG LEU A 39 -5.321 -31.899 9.097 1.00 12.42 C ATOM 619 CD1 LEU A 39 -5.426 -32.168 7.604 1.00 20.32 C ATOM 620 CD2 LEU A 39 -6.390 -30.909 9.539 1.00 61.34 C ATOM 0 H LEU A 39 -3.731 -32.471 11.513 1.00 75.32 H new ATOM 0 HA LEU A 39 -4.372 -34.997 10.401 1.00 72.10 H new ATOM 0 HB2 LEU A 39 -6.143 -33.855 9.372 1.00 65.34 H new ATOM 0 HB3 LEU A 39 -5.872 -32.975 10.862 1.00 65.34 H new ATOM 0 HG LEU A 39 -4.343 -31.462 9.298 1.00 12.42 H new ATOM 0 HD11 LEU A 39 -5.340 -31.229 7.058 1.00 20.32 H new ATOM 0 HD12 LEU A 39 -4.624 -32.840 7.298 1.00 20.32 H new ATOM 0 HD13 LEU A 39 -6.389 -32.628 7.384 1.00 20.32 H new ATOM 0 HD21 LEU A 39 -6.291 -29.987 8.966 1.00 61.34 H new ATOM 0 HD22 LEU A 39 -7.377 -31.339 9.368 1.00 61.34 H new ATOM 0 HD23 LEU A 39 -6.268 -30.691 10.600 1.00 61.34 H new ATOM 632 N ARG A 40 -2.581 -32.953 8.550 1.00 34.34 N ATOM 633 CA ARG A 40 -1.765 -32.871 7.345 1.00 15.40 C ATOM 634 C ARG A 40 -0.726 -33.988 7.314 1.00 13.53 C ATOM 635 O ARG A 40 -0.697 -34.797 6.387 1.00 13.31 O ATOM 636 CB ARG A 40 -1.070 -31.510 7.266 1.00 32.25 C ATOM 637 CG ARG A 40 -0.216 -31.334 6.022 1.00 43.11 C ATOM 638 CD ARG A 40 -0.552 -30.042 5.293 1.00 35.43 C ATOM 639 NE ARG A 40 0.056 -29.987 3.967 1.00 62.51 N ATOM 640 CZ ARG A 40 -0.145 -28.996 3.107 1.00 41.45 C ATOM 641 NH1 ARG A 40 -0.934 -27.981 3.432 1.00 72.22 N ATOM 642 NH2 ARG A 40 0.445 -29.017 1.918 1.00 54.11 N ATOM 0 H ARG A 40 -2.520 -32.136 9.157 1.00 34.34 H new ATOM 0 HA ARG A 40 -2.422 -32.986 6.483 1.00 15.40 H new ATOM 0 HB2 ARG A 40 -1.825 -30.724 7.292 1.00 32.25 H new ATOM 0 HB3 ARG A 40 -0.443 -31.380 8.148 1.00 32.25 H new ATOM 0 HG2 ARG A 40 0.838 -31.332 6.300 1.00 43.11 H new ATOM 0 HG3 ARG A 40 -0.368 -32.181 5.353 1.00 43.11 H new ATOM 0 HD2 ARG A 40 -1.634 -29.950 5.200 1.00 35.43 H new ATOM 0 HD3 ARG A 40 -0.209 -29.193 5.884 1.00 35.43 H new ATOM 0 HE ARG A 40 0.669 -30.752 3.686 1.00 62.51 H new ATOM 0 HH11 ARG A 40 -1.388 -27.960 4.345 1.00 72.22 H new ATOM 0 HH12 ARG A 40 -1.086 -27.221 2.769 1.00 72.22 H new ATOM 0 HH21 ARG A 40 1.054 -29.795 1.664 1.00 54.11 H new ATOM 0 HH22 ARG A 40 0.290 -28.255 1.258 1.00 54.11 H new ATOM 656 N SER A 41 0.126 -34.025 8.334 1.00 15.50 N ATOM 657 CA SER A 41 1.169 -35.039 8.422 1.00 62.12 C ATOM 658 C SER A 41 0.572 -36.441 8.348 1.00 14.14 C ATOM 659 O SER A 41 1.102 -37.320 7.668 1.00 61.00 O ATOM 660 CB SER A 41 1.960 -34.877 9.722 1.00 53.25 C ATOM 661 OG SER A 41 2.906 -33.827 9.615 1.00 20.32 O ATOM 0 H SER A 41 0.114 -33.364 9.111 1.00 15.50 H new ATOM 0 HA SER A 41 1.843 -34.905 7.576 1.00 62.12 H new ATOM 0 HB2 SER A 41 1.275 -34.672 10.545 1.00 53.25 H new ATOM 0 HB3 SER A 41 2.472 -35.810 9.959 1.00 53.25 H new ATOM 0 HG SER A 41 3.397 -33.742 10.459 1.00 20.32 H new ATOM 667 N LEU A 42 -0.536 -36.643 9.054 1.00 42.41 N ATOM 668 CA LEU A 42 -1.208 -37.937 9.070 1.00 24.40 C ATOM 669 C LEU A 42 -1.705 -38.310 7.677 1.00 31.12 C ATOM 670 O LEU A 42 -1.521 -39.439 7.223 1.00 41.11 O ATOM 671 CB LEU A 42 -2.379 -37.914 10.053 1.00 32.13 C ATOM 672 CG LEU A 42 -2.092 -38.460 11.452 1.00 32.24 C ATOM 673 CD1 LEU A 42 -2.909 -37.713 12.495 1.00 74.11 C ATOM 674 CD2 LEU A 42 -2.384 -39.953 11.513 1.00 42.55 C ATOM 0 H LEU A 42 -0.987 -35.927 9.623 1.00 42.41 H new ATOM 0 HA LEU A 42 -0.487 -38.689 9.391 1.00 24.40 H new ATOM 0 HB2 LEU A 42 -2.725 -36.885 10.150 1.00 32.13 H new ATOM 0 HB3 LEU A 42 -3.200 -38.487 9.622 1.00 32.13 H new ATOM 0 HG LEU A 42 -1.035 -38.307 11.670 1.00 32.24 H new ATOM 0 HD11 LEU A 42 -2.691 -38.116 13.484 1.00 74.11 H new ATOM 0 HD12 LEU A 42 -2.651 -36.654 12.469 1.00 74.11 H new ATOM 0 HD13 LEU A 42 -3.971 -37.833 12.280 1.00 74.11 H new ATOM 0 HD21 LEU A 42 -2.174 -40.324 12.516 1.00 42.55 H new ATOM 0 HD22 LEU A 42 -3.433 -40.129 11.273 1.00 42.55 H new ATOM 0 HD23 LEU A 42 -1.755 -40.477 10.793 1.00 42.55 H new ATOM 686 N ALA A 43 -2.335 -37.353 7.004 1.00 43.04 N ATOM 687 CA ALA A 43 -2.855 -37.579 5.661 1.00 62.31 C ATOM 688 C ALA A 43 -1.772 -38.127 4.738 1.00 44.44 C ATOM 689 O ALA A 43 -1.926 -39.197 4.148 1.00 44.21 O ATOM 690 CB ALA A 43 -3.432 -36.291 5.094 1.00 12.44 C ATOM 0 H ALA A 43 -2.498 -36.414 7.367 1.00 43.04 H new ATOM 0 HA ALA A 43 -3.650 -38.322 5.727 1.00 62.31 H new ATOM 0 HB1 ALA A 43 -3.816 -36.475 4.091 1.00 12.44 H new ATOM 0 HB2 ALA A 43 -4.242 -35.942 5.735 1.00 12.44 H new ATOM 0 HB3 ALA A 43 -2.652 -35.531 5.050 1.00 12.44 H new ATOM 696 N THR A 44 -0.675 -37.386 4.615 1.00 3.52 N ATOM 697 CA THR A 44 0.434 -37.796 3.762 1.00 15.41 C ATOM 698 C THR A 44 1.053 -39.099 4.254 1.00 53.03 C ATOM 699 O THR A 44 1.555 -39.898 3.462 1.00 1.33 O ATOM 700 CB THR A 44 1.527 -36.712 3.701 1.00 34.13 C ATOM 701 OG1 THR A 44 2.651 -37.191 2.955 1.00 73.41 O ATOM 702 CG2 THR A 44 1.973 -36.314 5.100 1.00 34.33 C ATOM 0 H THR A 44 -0.531 -36.498 5.096 1.00 3.52 H new ATOM 0 HA THR A 44 0.025 -37.946 2.763 1.00 15.41 H new ATOM 0 HB THR A 44 1.110 -35.835 3.206 1.00 34.13 H new ATOM 0 HG1 THR A 44 3.341 -36.496 2.920 1.00 73.41 H new ATOM 0 HG21 THR A 44 2.745 -35.548 5.032 1.00 34.33 H new ATOM 0 HG22 THR A 44 1.121 -35.922 5.656 1.00 34.33 H new ATOM 0 HG23 THR A 44 2.373 -37.187 5.616 1.00 34.33 H new ATOM 710 N THR A 45 1.013 -39.310 5.566 1.00 44.32 N ATOM 711 CA THR A 45 1.571 -40.516 6.163 1.00 21.41 C ATOM 712 C THR A 45 0.788 -41.753 5.737 1.00 21.13 C ATOM 713 O THR A 45 1.312 -42.867 5.751 1.00 31.14 O ATOM 714 CB THR A 45 1.577 -40.431 7.701 1.00 0.21 C ATOM 715 OG1 THR A 45 2.494 -39.419 8.132 1.00 62.01 O ATOM 716 CG2 THR A 45 1.963 -41.768 8.316 1.00 42.40 C ATOM 0 H THR A 45 0.600 -38.661 6.235 1.00 44.32 H new ATOM 0 HA THR A 45 2.598 -40.599 5.807 1.00 21.41 H new ATOM 0 HB THR A 45 0.571 -40.174 8.032 1.00 0.21 H new ATOM 0 HG1 THR A 45 2.021 -38.566 8.222 1.00 62.01 H new ATOM 0 HG21 THR A 45 1.960 -41.683 9.403 1.00 42.40 H new ATOM 0 HG22 THR A 45 1.246 -42.530 8.010 1.00 42.40 H new ATOM 0 HG23 THR A 45 2.960 -42.050 7.977 1.00 42.40 H new ATOM 724 N VAL A 46 -0.470 -41.550 5.358 1.00 24.01 N ATOM 725 CA VAL A 46 -1.325 -42.649 4.926 1.00 22.11 C ATOM 726 C VAL A 46 -1.779 -42.458 3.483 1.00 2.24 C ATOM 727 O VAL A 46 -2.656 -43.172 2.999 1.00 31.12 O ATOM 728 CB VAL A 46 -2.565 -42.784 5.829 1.00 10.34 C ATOM 729 CG1 VAL A 46 -3.462 -41.563 5.691 1.00 4.22 C ATOM 730 CG2 VAL A 46 -3.329 -44.057 5.498 1.00 11.33 C ATOM 0 H VAL A 46 -0.919 -40.634 5.341 1.00 24.01 H new ATOM 0 HA VAL A 46 -0.731 -43.560 4.999 1.00 22.11 H new ATOM 0 HB VAL A 46 -2.233 -42.846 6.865 1.00 10.34 H new ATOM 0 HG11 VAL A 46 -4.333 -41.677 6.336 1.00 4.22 H new ATOM 0 HG12 VAL A 46 -2.909 -40.670 5.982 1.00 4.22 H new ATOM 0 HG13 VAL A 46 -3.788 -41.466 4.655 1.00 4.22 H new ATOM 0 HG21 VAL A 46 -4.202 -44.136 6.146 1.00 11.33 H new ATOM 0 HG22 VAL A 46 -3.651 -44.028 4.457 1.00 11.33 H new ATOM 0 HG23 VAL A 46 -2.682 -44.920 5.654 1.00 11.33 H new ATOM 740 N GLN A 47 -1.175 -41.489 2.802 1.00 22.42 N ATOM 741 CA GLN A 47 -1.518 -41.204 1.414 1.00 63.20 C ATOM 742 C GLN A 47 -0.265 -41.134 0.547 1.00 3.53 C ATOM 743 O GLN A 47 -0.334 -41.273 -0.673 1.00 21.50 O ATOM 744 CB GLN A 47 -2.293 -39.889 1.318 1.00 75.41 C ATOM 745 CG GLN A 47 -3.706 -39.974 1.874 1.00 24.25 C ATOM 746 CD GLN A 47 -4.670 -39.045 1.163 1.00 22.35 C ATOM 747 OE1 GLN A 47 -5.790 -39.432 0.828 1.00 24.51 O ATOM 748 NE2 GLN A 47 -4.239 -37.811 0.930 1.00 75.15 N ATOM 0 H GLN A 47 -0.447 -40.889 3.189 1.00 22.42 H new ATOM 0 HA GLN A 47 -2.146 -42.016 1.047 1.00 63.20 H new ATOM 0 HB2 GLN A 47 -1.746 -39.114 1.855 1.00 75.41 H new ATOM 0 HB3 GLN A 47 -2.340 -39.580 0.274 1.00 75.41 H new ATOM 0 HG2 GLN A 47 -4.065 -40.999 1.788 1.00 24.25 H new ATOM 0 HG3 GLN A 47 -3.690 -39.730 2.936 1.00 24.25 H new ATOM 0 HE21 GLN A 47 -3.303 -37.533 1.225 1.00 75.15 H new ATOM 0 HE22 GLN A 47 -4.844 -37.141 0.456 1.00 75.15 H new ATOM 757 N ASN A 48 0.880 -40.915 1.187 1.00 53.02 N ATOM 758 CA ASN A 48 2.149 -40.825 0.474 1.00 54.33 C ATOM 759 C ASN A 48 3.026 -42.038 0.768 1.00 12.34 C ATOM 760 O ASN A 48 4.135 -42.154 0.249 1.00 3.21 O ATOM 761 CB ASN A 48 2.886 -39.542 0.863 1.00 52.45 C ATOM 762 CG ASN A 48 2.123 -38.293 0.463 1.00 23.01 C ATOM 763 OD1 ASN A 48 2.701 -37.339 -0.058 1.00 65.55 O ATOM 764 ND2 ASN A 48 0.818 -38.294 0.707 1.00 0.44 N ATOM 0 H ASN A 48 0.955 -40.797 2.197 1.00 53.02 H new ATOM 0 HA ASN A 48 1.936 -40.804 -0.595 1.00 54.33 H new ATOM 0 HB2 ASN A 48 3.052 -39.534 1.940 1.00 52.45 H new ATOM 0 HB3 ASN A 48 3.868 -39.532 0.389 1.00 52.45 H new ATOM 0 HD21 ASN A 48 0.253 -37.482 0.461 1.00 0.44 H new ATOM 0 HD22 ASN A 48 0.381 -39.107 1.141 1.00 0.44 H new ATOM 771 N GLU A 49 2.519 -42.938 1.605 1.00 62.43 N ATOM 772 CA GLU A 49 3.257 -44.142 1.968 1.00 22.42 C ATOM 773 C GLU A 49 2.666 -45.371 1.282 1.00 0.34 C ATOM 774 O GLU A 49 2.902 -45.608 0.097 1.00 54.32 O ATOM 775 CB GLU A 49 3.244 -44.336 3.486 1.00 65.41 C ATOM 776 CG GLU A 49 4.136 -43.358 4.232 1.00 23.30 C ATOM 777 CD GLU A 49 4.463 -43.823 5.638 1.00 0.41 C ATOM 778 OE1 GLU A 49 3.527 -44.206 6.370 1.00 55.43 O ATOM 779 OE2 GLU A 49 5.656 -43.803 6.006 1.00 3.14 O ATOM 0 H GLU A 49 1.602 -42.856 2.044 1.00 62.43 H new ATOM 0 HA GLU A 49 4.287 -44.021 1.633 1.00 22.42 H new ATOM 0 HB2 GLU A 49 2.221 -44.231 3.848 1.00 65.41 H new ATOM 0 HB3 GLU A 49 3.561 -45.353 3.717 1.00 65.41 H new ATOM 0 HG2 GLU A 49 5.062 -43.219 3.675 1.00 23.30 H new ATOM 0 HG3 GLU A 49 3.644 -42.387 4.280 1.00 23.30 H new ATOM 786 N LEU A 50 1.898 -46.149 2.036 1.00 34.22 N ATOM 787 CA LEU A 50 1.272 -47.354 1.503 1.00 62.24 C ATOM 788 C LEU A 50 0.589 -47.068 0.169 1.00 35.24 C ATOM 789 O LEU A 50 0.425 -47.962 -0.662 1.00 32.12 O ATOM 790 CB LEU A 50 0.255 -47.910 2.501 1.00 4.02 C ATOM 791 CG LEU A 50 0.691 -47.920 3.967 1.00 71.10 C ATOM 792 CD1 LEU A 50 2.191 -48.146 4.077 1.00 52.13 C ATOM 793 CD2 LEU A 50 0.294 -46.620 4.650 1.00 0.42 C ATOM 0 H LEU A 50 1.694 -45.967 3.019 1.00 34.22 H new ATOM 0 HA LEU A 50 2.053 -48.097 1.339 1.00 62.24 H new ATOM 0 HB2 LEU A 50 -0.662 -47.326 2.419 1.00 4.02 H new ATOM 0 HB3 LEU A 50 0.009 -48.931 2.209 1.00 4.02 H new ATOM 0 HG LEU A 50 0.183 -48.742 4.471 1.00 71.10 H new ATOM 0 HD11 LEU A 50 2.482 -48.150 5.127 1.00 52.13 H new ATOM 0 HD12 LEU A 50 2.449 -49.104 3.625 1.00 52.13 H new ATOM 0 HD13 LEU A 50 2.719 -47.346 3.557 1.00 52.13 H new ATOM 0 HD21 LEU A 50 0.612 -46.645 5.692 1.00 0.42 H new ATOM 0 HD22 LEU A 50 0.773 -45.782 4.144 1.00 0.42 H new ATOM 0 HD23 LEU A 50 -0.788 -46.500 4.604 1.00 0.42 H new ATOM 805 N THR A 51 0.192 -45.815 -0.030 1.00 2.11 N ATOM 806 CA THR A 51 -0.473 -45.410 -1.262 1.00 65.21 C ATOM 807 C THR A 51 0.422 -45.648 -2.473 1.00 43.31 C ATOM 808 O THR A 51 -0.013 -45.503 -3.615 1.00 72.20 O ATOM 809 CB THR A 51 -0.877 -43.924 -1.220 1.00 60.54 C ATOM 810 OG1 THR A 51 -1.844 -43.709 -0.186 1.00 45.32 O ATOM 811 CG2 THR A 51 -1.451 -43.482 -2.558 1.00 63.10 C ATOM 0 H THR A 51 0.320 -45.063 0.647 1.00 2.11 H new ATOM 0 HA THR A 51 -1.372 -46.020 -1.352 1.00 65.21 H new ATOM 0 HB THR A 51 0.015 -43.333 -1.012 1.00 60.54 H new ATOM 0 HG1 THR A 51 -2.626 -43.252 -0.560 1.00 45.32 H new ATOM 0 HG21 THR A 51 -1.729 -42.429 -2.505 1.00 63.10 H new ATOM 0 HG22 THR A 51 -0.703 -43.620 -3.338 1.00 63.10 H new ATOM 0 HG23 THR A 51 -2.333 -44.079 -2.791 1.00 63.10 H new ATOM 819 N GLN A 52 1.674 -46.013 -2.216 1.00 31.33 N ATOM 820 CA GLN A 52 2.630 -46.271 -3.286 1.00 54.24 C ATOM 821 C GLN A 52 3.304 -47.626 -3.100 1.00 72.00 C ATOM 822 O GLN A 52 4.382 -47.872 -3.639 1.00 4.12 O ATOM 823 CB GLN A 52 3.685 -45.165 -3.333 1.00 43.24 C ATOM 824 CG GLN A 52 4.975 -45.524 -2.613 1.00 13.44 C ATOM 825 CD GLN A 52 5.407 -44.458 -1.624 1.00 74.32 C ATOM 826 OE1 GLN A 52 5.747 -44.759 -0.480 1.00 5.43 O ATOM 827 NE2 GLN A 52 5.395 -43.205 -2.062 1.00 13.32 N ATOM 0 H GLN A 52 2.050 -46.137 -1.276 1.00 31.33 H new ATOM 0 HA GLN A 52 2.085 -46.284 -4.230 1.00 54.24 H new ATOM 0 HB2 GLN A 52 3.912 -44.935 -4.374 1.00 43.24 H new ATOM 0 HB3 GLN A 52 3.271 -44.260 -2.889 1.00 43.24 H new ATOM 0 HG2 GLN A 52 4.842 -46.470 -2.087 1.00 13.44 H new ATOM 0 HG3 GLN A 52 5.766 -45.676 -3.347 1.00 13.44 H new ATOM 0 HE21 GLN A 52 5.106 -43.002 -3.019 1.00 13.32 H new ATOM 0 HE22 GLN A 52 5.675 -42.445 -1.442 1.00 13.32 H new ATOM 836 N GLU A 53 2.661 -48.501 -2.333 1.00 73.12 N ATOM 837 CA GLU A 53 3.200 -49.831 -2.075 1.00 61.14 C ATOM 838 C GLU A 53 2.077 -50.837 -1.836 1.00 44.50 C ATOM 839 O GLU A 53 2.152 -51.985 -2.276 1.00 43.41 O ATOM 840 CB GLU A 53 4.138 -49.800 -0.867 1.00 11.12 C ATOM 841 CG GLU A 53 4.518 -51.179 -0.356 1.00 23.33 C ATOM 842 CD GLU A 53 6.012 -51.331 -0.141 1.00 13.51 C ATOM 843 OE1 GLU A 53 6.520 -50.811 0.875 1.00 71.02 O ATOM 844 OE2 GLU A 53 6.672 -51.967 -0.988 1.00 20.51 O ATOM 0 H GLU A 53 1.767 -48.313 -1.880 1.00 73.12 H new ATOM 0 HA GLU A 53 3.763 -50.144 -2.955 1.00 61.14 H new ATOM 0 HB2 GLU A 53 5.045 -49.259 -1.136 1.00 11.12 H new ATOM 0 HB3 GLU A 53 3.661 -49.242 -0.061 1.00 11.12 H new ATOM 0 HG2 GLU A 53 3.998 -51.370 0.583 1.00 23.33 H new ATOM 0 HG3 GLU A 53 4.179 -51.932 -1.067 1.00 23.33 H new ATOM 851 N LEU A 54 1.038 -50.397 -1.135 1.00 73.53 N ATOM 852 CA LEU A 54 -0.102 -51.258 -0.836 1.00 25.10 C ATOM 853 C LEU A 54 -1.412 -50.584 -1.230 1.00 2.42 C ATOM 854 O LEU A 54 -2.273 -51.197 -1.861 1.00 12.42 O ATOM 855 CB LEU A 54 -0.123 -51.610 0.653 1.00 50.44 C ATOM 856 CG LEU A 54 -1.326 -52.422 1.133 1.00 20.01 C ATOM 857 CD1 LEU A 54 -2.495 -51.504 1.458 1.00 64.55 C ATOM 858 CD2 LEU A 54 -1.728 -53.450 0.086 1.00 63.41 C ATOM 0 H LEU A 54 0.961 -49.450 -0.763 1.00 73.53 H new ATOM 0 HA LEU A 54 0.003 -52.174 -1.418 1.00 25.10 H new ATOM 0 HB2 LEU A 54 0.784 -52.168 0.887 1.00 50.44 H new ATOM 0 HB3 LEU A 54 -0.083 -50.683 1.226 1.00 50.44 H new ATOM 0 HG LEU A 54 -1.043 -52.951 2.043 1.00 20.01 H new ATOM 0 HD11 LEU A 54 -3.342 -52.100 1.798 1.00 64.55 H new ATOM 0 HD12 LEU A 54 -2.203 -50.807 2.244 1.00 64.55 H new ATOM 0 HD13 LEU A 54 -2.779 -50.946 0.566 1.00 64.55 H new ATOM 0 HD21 LEU A 54 -2.586 -54.019 0.445 1.00 63.41 H new ATOM 0 HD22 LEU A 54 -1.992 -52.941 -0.841 1.00 63.41 H new ATOM 0 HD23 LEU A 54 -0.894 -54.128 -0.097 1.00 63.41 H new ATOM 870 N LYS A 55 -1.555 -49.317 -0.855 1.00 51.13 N ATOM 871 CA LYS A 55 -2.758 -48.556 -1.172 1.00 32.43 C ATOM 872 C LYS A 55 -2.592 -47.797 -2.484 1.00 13.31 C ATOM 873 O LYS A 55 -3.184 -46.733 -2.677 1.00 25.54 O ATOM 874 CB LYS A 55 -3.080 -47.577 -0.040 1.00 64.24 C ATOM 875 CG LYS A 55 -4.197 -46.605 -0.377 1.00 4.51 C ATOM 876 CD LYS A 55 -5.001 -46.231 0.857 1.00 73.02 C ATOM 877 CE LYS A 55 -4.105 -45.716 1.972 1.00 4.02 C ATOM 878 NZ LYS A 55 -3.810 -46.773 2.979 1.00 2.54 N ATOM 0 H LYS A 55 -0.852 -48.795 -0.331 1.00 51.13 H new ATOM 0 HA LYS A 55 -3.584 -49.259 -1.282 1.00 32.43 H new ATOM 0 HB2 LYS A 55 -3.357 -48.142 0.850 1.00 64.24 H new ATOM 0 HB3 LYS A 55 -2.181 -47.013 0.208 1.00 64.24 H new ATOM 0 HG2 LYS A 55 -3.775 -45.705 -0.824 1.00 4.51 H new ATOM 0 HG3 LYS A 55 -4.857 -47.051 -1.121 1.00 4.51 H new ATOM 0 HD2 LYS A 55 -5.735 -45.468 0.597 1.00 73.02 H new ATOM 0 HD3 LYS A 55 -5.556 -47.101 1.208 1.00 73.02 H new ATOM 0 HE2 LYS A 55 -3.171 -45.348 1.547 1.00 4.02 H new ATOM 0 HE3 LYS A 55 -4.586 -44.870 2.463 1.00 4.02 H new ATOM 0 HZ1 LYS A 55 -3.766 -46.347 3.927 1.00 2.54 H new ATOM 0 HZ2 LYS A 55 -4.561 -47.492 2.957 1.00 2.54 H new ATOM 0 HZ3 LYS A 55 -2.897 -47.219 2.757 1.00 2.54 H new ATOM 892 N LEU A 56 -1.786 -48.349 -3.384 1.00 11.11 N ATOM 893 CA LEU A 56 -1.544 -47.724 -4.680 1.00 2.14 C ATOM 894 C LEU A 56 -2.686 -48.016 -5.647 1.00 52.32 C ATOM 895 O LEU A 56 -2.651 -47.603 -6.806 1.00 0.52 O ATOM 896 CB LEU A 56 -0.222 -48.221 -5.268 1.00 52.43 C ATOM 897 CG LEU A 56 0.022 -49.728 -5.192 1.00 22.13 C ATOM 898 CD1 LEU A 56 -1.264 -50.492 -5.467 1.00 3.03 C ATOM 899 CD2 LEU A 56 1.111 -50.142 -6.171 1.00 73.41 C ATOM 0 H LEU A 56 -1.289 -49.228 -3.240 1.00 11.11 H new ATOM 0 HA LEU A 56 -1.486 -46.646 -4.531 1.00 2.14 H new ATOM 0 HB2 LEU A 56 -0.176 -47.918 -6.314 1.00 52.43 H new ATOM 0 HB3 LEU A 56 0.595 -47.715 -4.753 1.00 52.43 H new ATOM 0 HG LEU A 56 0.356 -49.972 -4.184 1.00 22.13 H new ATOM 0 HD11 LEU A 56 -1.070 -51.563 -5.409 1.00 3.03 H new ATOM 0 HD12 LEU A 56 -2.015 -50.218 -4.726 1.00 3.03 H new ATOM 0 HD13 LEU A 56 -1.629 -50.243 -6.463 1.00 3.03 H new ATOM 0 HD21 LEU A 56 1.271 -51.218 -6.103 1.00 73.41 H new ATOM 0 HD22 LEU A 56 0.806 -49.884 -7.185 1.00 73.41 H new ATOM 0 HD23 LEU A 56 2.037 -49.621 -5.927 1.00 73.41 H new ATOM 911 N GLN A 57 -3.698 -48.728 -5.162 1.00 71.13 N ATOM 912 CA GLN A 57 -4.852 -49.073 -5.984 1.00 63.45 C ATOM 913 C GLN A 57 -6.098 -48.331 -5.513 1.00 62.02 C ATOM 914 O GLN A 57 -6.790 -47.695 -6.308 1.00 20.44 O ATOM 915 CB GLN A 57 -5.098 -50.583 -5.947 1.00 10.31 C ATOM 916 CG GLN A 57 -6.316 -51.020 -6.745 1.00 25.51 C ATOM 917 CD GLN A 57 -7.454 -51.492 -5.861 1.00 43.24 C ATOM 918 OE1 GLN A 57 -8.118 -52.484 -6.162 1.00 22.45 O ATOM 919 NE2 GLN A 57 -7.685 -50.781 -4.764 1.00 54.32 N ATOM 0 H GLN A 57 -3.742 -49.077 -4.205 1.00 71.13 H new ATOM 0 HA GLN A 57 -4.639 -48.772 -7.010 1.00 63.45 H new ATOM 0 HB2 GLN A 57 -4.217 -51.096 -6.334 1.00 10.31 H new ATOM 0 HB3 GLN A 57 -5.221 -50.898 -4.911 1.00 10.31 H new ATOM 0 HG2 GLN A 57 -6.660 -50.189 -7.361 1.00 25.51 H new ATOM 0 HG3 GLN A 57 -6.031 -51.823 -7.424 1.00 25.51 H new ATOM 0 HE21 GLN A 57 -7.109 -49.966 -4.554 1.00 54.32 H new ATOM 0 HE22 GLN A 57 -8.438 -51.050 -4.131 1.00 54.32 H new ATOM 928 N GLU A 58 -6.377 -48.417 -4.216 1.00 40.03 N ATOM 929 CA GLU A 58 -7.541 -47.754 -3.641 1.00 0.24 C ATOM 930 C GLU A 58 -7.599 -46.289 -4.066 1.00 63.41 C ATOM 931 O GLU A 58 -8.549 -45.858 -4.720 1.00 64.41 O ATOM 932 CB GLU A 58 -7.508 -47.852 -2.114 1.00 13.31 C ATOM 933 CG GLU A 58 -8.765 -48.462 -1.516 1.00 42.01 C ATOM 934 CD GLU A 58 -9.201 -47.768 -0.240 1.00 44.44 C ATOM 935 OE1 GLU A 58 -9.124 -46.522 -0.188 1.00 22.13 O ATOM 936 OE2 GLU A 58 -9.618 -48.469 0.705 1.00 42.14 O ATOM 0 H GLU A 58 -5.813 -48.939 -3.545 1.00 40.03 H new ATOM 0 HA GLU A 58 -8.434 -48.257 -4.012 1.00 0.24 H new ATOM 0 HB2 GLU A 58 -6.647 -48.450 -1.815 1.00 13.31 H new ATOM 0 HB3 GLU A 58 -7.364 -46.855 -1.697 1.00 13.31 H new ATOM 0 HG2 GLU A 58 -9.572 -48.411 -2.247 1.00 42.01 H new ATOM 0 HG3 GLU A 58 -8.589 -49.518 -1.309 1.00 42.01 H new ATOM 943 N PHE A 59 -6.576 -45.529 -3.690 1.00 22.33 N ATOM 944 CA PHE A 59 -6.510 -44.113 -4.030 1.00 42.13 C ATOM 945 C PHE A 59 -6.437 -43.920 -5.542 1.00 44.12 C ATOM 946 O PHE A 59 -7.312 -43.296 -6.141 1.00 72.31 O ATOM 947 CB PHE A 59 -5.297 -43.462 -3.362 1.00 42.14 C ATOM 948 CG PHE A 59 -5.548 -43.042 -1.942 1.00 41.03 C ATOM 949 CD1 PHE A 59 -6.671 -42.300 -1.614 1.00 1.32 C ATOM 950 CD2 PHE A 59 -4.661 -43.390 -0.936 1.00 14.10 C ATOM 951 CE1 PHE A 59 -6.904 -41.911 -0.308 1.00 63.40 C ATOM 952 CE2 PHE A 59 -4.889 -43.005 0.372 1.00 53.32 C ATOM 953 CZ PHE A 59 -6.013 -42.265 0.686 1.00 24.42 C ATOM 0 H PHE A 59 -5.781 -45.870 -3.150 1.00 22.33 H new ATOM 0 HA PHE A 59 -7.418 -43.634 -3.663 1.00 42.13 H new ATOM 0 HB2 PHE A 59 -4.462 -44.162 -3.383 1.00 42.14 H new ATOM 0 HB3 PHE A 59 -4.997 -42.590 -3.943 1.00 42.14 H new ATOM 0 HD1 PHE A 59 -7.372 -42.022 -2.387 1.00 1.32 H new ATOM 0 HD2 PHE A 59 -3.781 -43.969 -1.177 1.00 14.10 H new ATOM 0 HE1 PHE A 59 -7.782 -41.331 -0.065 1.00 63.40 H new ATOM 0 HE2 PHE A 59 -4.190 -43.282 1.147 1.00 53.32 H new ATOM 0 HZ PHE A 59 -6.194 -41.964 1.707 1.00 24.42 H new ATOM 963 N GLN A 60 -5.386 -44.459 -6.151 1.00 64.33 N ATOM 964 CA GLN A 60 -5.197 -44.345 -7.593 1.00 31.43 C ATOM 965 C GLN A 60 -6.503 -44.610 -8.335 1.00 1.40 C ATOM 966 O GLN A 60 -6.760 -44.023 -9.386 1.00 73.04 O ATOM 967 CB GLN A 60 -4.121 -45.323 -8.066 1.00 65.44 C ATOM 968 CG GLN A 60 -3.235 -44.766 -9.169 1.00 2.11 C ATOM 969 CD GLN A 60 -2.315 -45.814 -9.765 1.00 12.35 C ATOM 970 OE1 GLN A 60 -2.718 -46.956 -9.987 1.00 11.21 O ATOM 971 NE2 GLN A 60 -1.071 -45.430 -10.027 1.00 13.24 N ATOM 0 H GLN A 60 -4.653 -44.979 -5.669 1.00 64.33 H new ATOM 0 HA GLN A 60 -4.875 -43.327 -7.813 1.00 31.43 H new ATOM 0 HB2 GLN A 60 -3.497 -45.603 -7.217 1.00 65.44 H new ATOM 0 HB3 GLN A 60 -4.601 -46.234 -8.423 1.00 65.44 H new ATOM 0 HG2 GLN A 60 -3.862 -44.348 -9.957 1.00 2.11 H new ATOM 0 HG3 GLN A 60 -2.636 -43.947 -8.770 1.00 2.11 H new ATOM 0 HE21 GLN A 60 -0.780 -44.473 -9.827 1.00 13.24 H new ATOM 0 HE22 GLN A 60 -0.407 -46.092 -10.428 1.00 13.24 H new ATOM 980 N ASP A 61 -7.323 -45.496 -7.781 1.00 54.44 N ATOM 981 CA ASP A 61 -8.604 -45.837 -8.391 1.00 25.33 C ATOM 982 C ASP A 61 -9.610 -44.705 -8.212 1.00 0.05 C ATOM 983 O ASP A 61 -10.243 -44.266 -9.172 1.00 30.13 O ATOM 984 CB ASP A 61 -9.155 -47.127 -7.781 1.00 65.32 C ATOM 985 CG ASP A 61 -10.636 -47.306 -8.047 1.00 73.42 C ATOM 986 OD1 ASP A 61 -11.447 -46.685 -7.329 1.00 41.32 O ATOM 987 OD2 ASP A 61 -10.985 -48.069 -8.973 1.00 14.02 O ATOM 0 H ASP A 61 -7.124 -45.991 -6.912 1.00 54.44 H new ATOM 0 HA ASP A 61 -8.442 -45.989 -9.458 1.00 25.33 H new ATOM 0 HB2 ASP A 61 -8.610 -47.979 -8.187 1.00 65.32 H new ATOM 0 HB3 ASP A 61 -8.980 -47.120 -6.705 1.00 65.32 H new ATOM 992 N SER A 62 -9.753 -44.237 -6.976 1.00 30.24 N ATOM 993 CA SER A 62 -10.686 -43.159 -6.669 1.00 72.35 C ATOM 994 C SER A 62 -10.320 -41.891 -7.434 1.00 12.54 C ATOM 995 O SER A 62 -11.193 -41.177 -7.930 1.00 10.12 O ATOM 996 CB SER A 62 -10.697 -42.877 -5.166 1.00 32.52 C ATOM 997 OG SER A 62 -9.526 -43.378 -4.544 1.00 72.35 O ATOM 0 H SER A 62 -9.234 -44.588 -6.171 1.00 30.24 H new ATOM 0 HA SER A 62 -11.682 -43.475 -6.978 1.00 72.35 H new ATOM 0 HB2 SER A 62 -10.772 -41.803 -4.995 1.00 32.52 H new ATOM 0 HB3 SER A 62 -11.577 -43.334 -4.714 1.00 32.52 H new ATOM 0 HG SER A 62 -9.590 -44.352 -4.462 1.00 72.35 H new ATOM 1003 N LEU A 63 -9.024 -41.615 -7.524 1.00 62.52 N ATOM 1004 CA LEU A 63 -8.540 -40.433 -8.228 1.00 1.32 C ATOM 1005 C LEU A 63 -8.660 -40.610 -9.738 1.00 24.40 C ATOM 1006 O LEU A 63 -8.803 -39.638 -10.479 1.00 44.13 O ATOM 1007 CB LEU A 63 -7.085 -40.150 -7.850 1.00 1.22 C ATOM 1008 CG LEU A 63 -6.810 -39.918 -6.364 1.00 34.15 C ATOM 1009 CD1 LEU A 63 -5.410 -39.361 -6.160 1.00 20.32 C ATOM 1010 CD2 LEU A 63 -7.851 -38.980 -5.769 1.00 21.31 C ATOM 0 H LEU A 63 -8.289 -42.194 -7.118 1.00 62.52 H new ATOM 0 HA LEU A 63 -9.158 -39.586 -7.931 1.00 1.32 H new ATOM 0 HB2 LEU A 63 -6.474 -40.988 -8.185 1.00 1.22 H new ATOM 0 HB3 LEU A 63 -6.752 -39.271 -8.402 1.00 1.22 H new ATOM 0 HG LEU A 63 -6.876 -40.876 -5.849 1.00 34.15 H new ATOM 0 HD11 LEU A 63 -5.233 -39.203 -5.096 1.00 20.32 H new ATOM 0 HD12 LEU A 63 -4.677 -40.068 -6.549 1.00 20.32 H new ATOM 0 HD13 LEU A 63 -5.315 -38.413 -6.689 1.00 20.32 H new ATOM 0 HD21 LEU A 63 -7.640 -38.826 -4.711 1.00 21.31 H new ATOM 0 HD22 LEU A 63 -7.817 -38.022 -6.289 1.00 21.31 H new ATOM 0 HD23 LEU A 63 -8.842 -39.419 -5.881 1.00 21.31 H new ATOM 1022 N LYS A 64 -8.602 -41.859 -10.188 1.00 34.32 N ATOM 1023 CA LYS A 64 -8.708 -42.167 -11.609 1.00 42.32 C ATOM 1024 C LYS A 64 -10.162 -42.130 -12.068 1.00 12.44 C ATOM 1025 O LYS A 64 -10.482 -41.555 -13.108 1.00 44.15 O ATOM 1026 CB LYS A 64 -8.105 -43.543 -11.901 1.00 11.15 C ATOM 1027 CG LYS A 64 -8.286 -43.994 -13.340 1.00 32.05 C ATOM 1028 CD LYS A 64 -9.413 -45.005 -13.469 1.00 53.24 C ATOM 1029 CE LYS A 64 -9.046 -46.335 -12.829 1.00 41.41 C ATOM 1030 NZ LYS A 64 -8.603 -47.334 -13.841 1.00 14.13 N ATOM 0 H LYS A 64 -8.482 -42.675 -9.588 1.00 34.32 H new ATOM 0 HA LYS A 64 -8.152 -41.409 -12.161 1.00 42.32 H new ATOM 0 HB2 LYS A 64 -7.041 -43.521 -11.667 1.00 11.15 H new ATOM 0 HB3 LYS A 64 -8.562 -44.278 -11.239 1.00 11.15 H new ATOM 0 HG2 LYS A 64 -8.497 -43.130 -13.969 1.00 32.05 H new ATOM 0 HG3 LYS A 64 -7.358 -44.434 -13.704 1.00 32.05 H new ATOM 0 HD2 LYS A 64 -10.313 -44.610 -12.998 1.00 53.24 H new ATOM 0 HD3 LYS A 64 -9.646 -45.159 -14.523 1.00 53.24 H new ATOM 0 HE2 LYS A 64 -8.251 -46.180 -12.100 1.00 41.41 H new ATOM 0 HE3 LYS A 64 -9.906 -46.726 -12.285 1.00 41.41 H new ATOM 0 HZ1 LYS A 64 -8.362 -48.227 -13.365 1.00 14.13 H new ATOM 0 HZ2 LYS A 64 -9.370 -47.501 -14.523 1.00 14.13 H new ATOM 0 HZ3 LYS A 64 -7.767 -46.972 -14.343 1.00 14.13 H new ATOM 1044 N LYS A 65 -11.041 -42.745 -11.283 1.00 43.13 N ATOM 1045 CA LYS A 65 -12.462 -42.780 -11.606 1.00 71.44 C ATOM 1046 C LYS A 65 -13.071 -41.384 -11.536 1.00 11.42 C ATOM 1047 O LYS A 65 -13.952 -41.039 -12.324 1.00 32.14 O ATOM 1048 CB LYS A 65 -13.200 -43.719 -10.649 1.00 74.14 C ATOM 1049 CG LYS A 65 -13.023 -43.357 -9.185 1.00 15.10 C ATOM 1050 CD LYS A 65 -14.360 -43.268 -8.467 1.00 62.02 C ATOM 1051 CE LYS A 65 -15.030 -41.923 -8.702 1.00 73.11 C ATOM 1052 NZ LYS A 65 -14.797 -40.982 -7.572 1.00 31.24 N ATOM 0 H LYS A 65 -10.793 -43.226 -10.418 1.00 43.13 H new ATOM 0 HA LYS A 65 -12.568 -43.152 -12.625 1.00 71.44 H new ATOM 0 HB2 LYS A 65 -14.263 -43.709 -10.891 1.00 74.14 H new ATOM 0 HB3 LYS A 65 -12.846 -44.738 -10.808 1.00 74.14 H new ATOM 0 HG2 LYS A 65 -12.396 -44.104 -8.698 1.00 15.10 H new ATOM 0 HG3 LYS A 65 -12.502 -42.403 -9.106 1.00 15.10 H new ATOM 0 HD2 LYS A 65 -15.015 -44.067 -8.814 1.00 62.02 H new ATOM 0 HD3 LYS A 65 -14.211 -43.420 -7.398 1.00 62.02 H new ATOM 0 HE2 LYS A 65 -14.650 -41.484 -9.624 1.00 73.11 H new ATOM 0 HE3 LYS A 65 -16.102 -42.070 -8.837 1.00 73.11 H new ATOM 0 HZ1 LYS A 65 -14.993 -40.009 -7.884 1.00 31.24 H new ATOM 0 HZ2 LYS A 65 -15.428 -41.226 -6.782 1.00 31.24 H new ATOM 0 HZ3 LYS A 65 -13.807 -41.053 -7.260 1.00 31.24 H new ATOM 1066 N VAL A 66 -12.595 -40.582 -10.588 1.00 62.41 N ATOM 1067 CA VAL A 66 -13.091 -39.222 -10.417 1.00 24.03 C ATOM 1068 C VAL A 66 -12.532 -38.294 -11.490 1.00 32.32 C ATOM 1069 O VAL A 66 -13.255 -37.469 -12.048 1.00 21.34 O ATOM 1070 CB VAL A 66 -12.726 -38.662 -9.029 1.00 25.30 C ATOM 1071 CG1 VAL A 66 -11.224 -38.442 -8.920 1.00 34.53 C ATOM 1072 CG2 VAL A 66 -13.483 -37.371 -8.760 1.00 3.41 C ATOM 0 H VAL A 66 -11.866 -40.851 -9.927 1.00 62.41 H new ATOM 0 HA VAL A 66 -14.176 -39.267 -10.509 1.00 24.03 H new ATOM 0 HB VAL A 66 -13.018 -39.392 -8.274 1.00 25.30 H new ATOM 0 HG11 VAL A 66 -10.985 -38.046 -7.933 1.00 34.53 H new ATOM 0 HG12 VAL A 66 -10.706 -39.390 -9.066 1.00 34.53 H new ATOM 0 HG13 VAL A 66 -10.904 -37.732 -9.683 1.00 34.53 H new ATOM 0 HG21 VAL A 66 -13.213 -36.989 -7.775 1.00 3.41 H new ATOM 0 HG22 VAL A 66 -13.224 -36.633 -9.519 1.00 3.41 H new ATOM 0 HG23 VAL A 66 -14.555 -37.564 -8.793 1.00 3.41 H new ATOM 1082 N GLU A 67 -11.241 -38.436 -11.774 1.00 33.31 N ATOM 1083 CA GLU A 67 -10.586 -37.610 -12.781 1.00 10.12 C ATOM 1084 C GLU A 67 -11.221 -37.818 -14.153 1.00 22.22 C ATOM 1085 O GLU A 67 -11.425 -36.866 -14.907 1.00 23.34 O ATOM 1086 CB GLU A 67 -9.092 -37.933 -12.844 1.00 3.31 C ATOM 1087 CG GLU A 67 -8.260 -37.167 -11.829 1.00 12.33 C ATOM 1088 CD GLU A 67 -6.788 -37.526 -11.890 1.00 33.33 C ATOM 1089 OE1 GLU A 67 -6.461 -38.720 -11.724 1.00 52.12 O ATOM 1090 OE2 GLU A 67 -5.964 -36.613 -12.103 1.00 65.15 O ATOM 0 H GLU A 67 -10.629 -39.115 -11.321 1.00 33.31 H new ATOM 0 HA GLU A 67 -10.713 -36.566 -12.496 1.00 10.12 H new ATOM 0 HB2 GLU A 67 -8.953 -39.002 -12.683 1.00 3.31 H new ATOM 0 HB3 GLU A 67 -8.723 -37.711 -13.845 1.00 3.31 H new ATOM 0 HG2 GLU A 67 -8.377 -36.097 -12.003 1.00 12.33 H new ATOM 0 HG3 GLU A 67 -8.638 -37.370 -10.827 1.00 12.33 H new ATOM 1097 N LYS A 68 -11.531 -39.071 -14.471 1.00 2.53 N ATOM 1098 CA LYS A 68 -12.143 -39.406 -15.751 1.00 20.43 C ATOM 1099 C LYS A 68 -13.598 -38.949 -15.795 1.00 24.43 C ATOM 1100 O LYS A 68 -14.047 -38.371 -16.784 1.00 24.22 O ATOM 1101 CB LYS A 68 -12.063 -40.915 -15.997 1.00 55.43 C ATOM 1102 CG LYS A 68 -11.610 -41.278 -17.401 1.00 35.54 C ATOM 1103 CD LYS A 68 -12.213 -42.597 -17.857 1.00 52.50 C ATOM 1104 CE LYS A 68 -13.614 -42.404 -18.418 1.00 63.34 C ATOM 1105 NZ LYS A 68 -14.659 -42.920 -17.491 1.00 4.30 N ATOM 0 H LYS A 68 -11.368 -39.871 -13.859 1.00 2.53 H new ATOM 0 HA LYS A 68 -11.594 -38.886 -16.536 1.00 20.43 H new ATOM 0 HB2 LYS A 68 -11.375 -41.356 -15.276 1.00 55.43 H new ATOM 0 HB3 LYS A 68 -13.042 -41.357 -15.814 1.00 55.43 H new ATOM 0 HG2 LYS A 68 -11.897 -40.487 -18.093 1.00 35.54 H new ATOM 0 HG3 LYS A 68 -10.522 -41.345 -17.428 1.00 35.54 H new ATOM 0 HD2 LYS A 68 -11.574 -43.047 -18.617 1.00 52.50 H new ATOM 0 HD3 LYS A 68 -12.248 -43.292 -17.018 1.00 52.50 H new ATOM 0 HE2 LYS A 68 -13.787 -41.344 -18.606 1.00 63.34 H new ATOM 0 HE3 LYS A 68 -13.695 -42.916 -19.377 1.00 63.34 H new ATOM 0 HZ1 LYS A 68 -15.558 -43.023 -18.004 1.00 4.30 H new ATOM 0 HZ2 LYS A 68 -14.366 -43.845 -17.118 1.00 4.30 H new ATOM 0 HZ3 LYS A 68 -14.784 -42.253 -16.703 1.00 4.30 H new ATOM 1119 N ALA A 69 -14.328 -39.212 -14.716 1.00 13.50 N ATOM 1120 CA ALA A 69 -15.731 -38.824 -14.631 1.00 1.13 C ATOM 1121 C ALA A 69 -15.875 -37.313 -14.482 1.00 23.11 C ATOM 1122 O ALA A 69 -16.973 -36.770 -14.600 1.00 11.11 O ATOM 1123 CB ALA A 69 -16.406 -39.537 -13.469 1.00 21.33 C ATOM 0 H ALA A 69 -13.972 -39.692 -13.889 1.00 13.50 H new ATOM 0 HA ALA A 69 -16.221 -39.120 -15.559 1.00 1.13 H new ATOM 0 HB1 ALA A 69 -17.453 -39.238 -13.417 1.00 21.33 H new ATOM 0 HB2 ALA A 69 -16.343 -40.615 -13.618 1.00 21.33 H new ATOM 0 HB3 ALA A 69 -15.906 -39.270 -12.538 1.00 21.33 H new ATOM 1129 N SER A 70 -14.759 -36.640 -14.221 1.00 43.34 N ATOM 1130 CA SER A 70 -14.762 -35.191 -14.052 1.00 23.42 C ATOM 1131 C SER A 70 -14.114 -34.503 -15.249 1.00 41.14 C ATOM 1132 O SER A 70 -14.311 -33.308 -15.475 1.00 70.11 O ATOM 1133 CB SER A 70 -14.025 -34.806 -12.768 1.00 12.44 C ATOM 1134 OG SER A 70 -14.757 -35.203 -11.621 1.00 62.50 O ATOM 0 H SER A 70 -13.841 -37.074 -14.122 1.00 43.34 H new ATOM 0 HA SER A 70 -15.798 -34.860 -13.982 1.00 23.42 H new ATOM 0 HB2 SER A 70 -13.041 -35.275 -12.755 1.00 12.44 H new ATOM 0 HB3 SER A 70 -13.865 -33.728 -12.746 1.00 12.44 H new ATOM 0 HG SER A 70 -14.489 -36.109 -11.359 1.00 62.50 H new ATOM 1140 N LEU A 71 -13.340 -35.265 -16.014 1.00 40.13 N ATOM 1141 CA LEU A 71 -12.662 -34.730 -17.190 1.00 0.10 C ATOM 1142 C LEU A 71 -13.235 -35.331 -18.470 1.00 1.35 C ATOM 1143 O LEU A 71 -12.784 -35.018 -19.572 1.00 62.10 O ATOM 1144 CB LEU A 71 -11.160 -35.011 -17.109 1.00 14.41 C ATOM 1145 CG LEU A 71 -10.408 -34.314 -15.975 1.00 44.30 C ATOM 1146 CD1 LEU A 71 -9.089 -33.747 -16.479 1.00 15.31 C ATOM 1147 CD2 LEU A 71 -11.264 -33.215 -15.363 1.00 2.23 C ATOM 0 H LEU A 71 -13.166 -36.255 -15.841 1.00 40.13 H new ATOM 0 HA LEU A 71 -12.823 -33.652 -17.213 1.00 0.10 H new ATOM 0 HB2 LEU A 71 -11.017 -36.087 -17.006 1.00 14.41 H new ATOM 0 HB3 LEU A 71 -10.704 -34.718 -18.055 1.00 14.41 H new ATOM 0 HG LEU A 71 -10.192 -35.051 -15.202 1.00 44.30 H new ATOM 0 HD11 LEU A 71 -8.567 -33.255 -15.658 1.00 15.31 H new ATOM 0 HD12 LEU A 71 -8.471 -34.556 -16.869 1.00 15.31 H new ATOM 0 HD13 LEU A 71 -9.283 -33.024 -17.271 1.00 15.31 H new ATOM 0 HD21 LEU A 71 -10.712 -32.730 -14.558 1.00 2.23 H new ATOM 0 HD22 LEU A 71 -11.512 -32.479 -16.128 1.00 2.23 H new ATOM 0 HD23 LEU A 71 -12.182 -33.648 -14.965 1.00 2.23 H new ATOM 1159 N THR A 72 -14.234 -36.194 -18.316 1.00 61.41 N ATOM 1160 CA THR A 72 -14.870 -36.838 -19.459 1.00 23.45 C ATOM 1161 C THR A 72 -15.206 -35.823 -20.545 1.00 61.40 C ATOM 1162 O THR A 72 -15.209 -36.148 -21.732 1.00 24.35 O ATOM 1163 CB THR A 72 -16.158 -37.575 -19.043 1.00 45.45 C ATOM 1164 OG1 THR A 72 -16.591 -37.117 -17.758 1.00 1.32 O ATOM 1165 CG2 THR A 72 -15.932 -39.078 -19.002 1.00 62.43 C ATOM 0 H THR A 72 -14.620 -36.463 -17.411 1.00 61.41 H new ATOM 0 HA THR A 72 -14.157 -37.562 -19.852 1.00 23.45 H new ATOM 0 HB THR A 72 -16.929 -37.360 -19.783 1.00 45.45 H new ATOM 0 HG1 THR A 72 -17.411 -37.589 -17.502 1.00 1.32 H new ATOM 0 HG21 THR A 72 -16.855 -39.577 -18.706 1.00 62.43 H new ATOM 0 HG22 THR A 72 -15.631 -39.428 -19.990 1.00 62.43 H new ATOM 0 HG23 THR A 72 -15.148 -39.308 -18.281 1.00 62.43 H new ATOM 1173 N ASN A 73 -15.488 -34.592 -20.131 1.00 73.34 N ATOM 1174 CA ASN A 73 -15.826 -33.529 -21.071 1.00 1.13 C ATOM 1175 C ASN A 73 -15.534 -32.158 -20.468 1.00 52.01 C ATOM 1176 O ASN A 73 -16.123 -31.153 -20.869 1.00 74.30 O ATOM 1177 CB ASN A 73 -17.300 -33.620 -21.468 1.00 75.44 C ATOM 1178 CG ASN A 73 -18.075 -34.592 -20.599 1.00 24.04 C ATOM 1179 OD1 ASN A 73 -18.123 -35.790 -20.878 1.00 51.03 O ATOM 1180 ND2 ASN A 73 -18.685 -34.078 -19.537 1.00 72.41 N ATOM 0 H ASN A 73 -15.489 -34.306 -19.152 1.00 73.34 H new ATOM 0 HA ASN A 73 -15.209 -33.655 -21.961 1.00 1.13 H new ATOM 0 HB2 ASN A 73 -17.754 -32.632 -21.397 1.00 75.44 H new ATOM 0 HB3 ASN A 73 -17.374 -33.930 -22.510 1.00 75.44 H new ATOM 0 HD21 ASN A 73 -19.220 -34.683 -18.914 1.00 72.41 H new ATOM 0 HD22 ASN A 73 -18.618 -33.079 -19.344 1.00 72.41 H new ATOM 1187 N LEU A 74 -14.621 -32.124 -19.504 1.00 14.13 N ATOM 1188 CA LEU A 74 -14.250 -30.876 -18.845 1.00 70.24 C ATOM 1189 C LEU A 74 -12.794 -30.522 -19.132 1.00 14.42 C ATOM 1190 O LEU A 74 -12.104 -29.952 -18.286 1.00 31.23 O ATOM 1191 CB LEU A 74 -14.472 -30.987 -17.336 1.00 33.20 C ATOM 1192 CG LEU A 74 -15.858 -31.460 -16.895 1.00 23.54 C ATOM 1193 CD1 LEU A 74 -16.132 -31.042 -15.458 1.00 52.05 C ATOM 1194 CD2 LEU A 74 -16.930 -30.914 -17.826 1.00 2.43 C ATOM 0 H LEU A 74 -14.124 -32.946 -19.161 1.00 14.13 H new ATOM 0 HA LEU A 74 -14.883 -30.082 -19.241 1.00 70.24 H new ATOM 0 HB2 LEU A 74 -13.729 -31.673 -16.929 1.00 33.20 H new ATOM 0 HB3 LEU A 74 -14.283 -30.011 -16.888 1.00 33.20 H new ATOM 0 HG LEU A 74 -15.883 -32.549 -16.946 1.00 23.54 H new ATOM 0 HD11 LEU A 74 -17.122 -31.387 -15.161 1.00 52.05 H new ATOM 0 HD12 LEU A 74 -15.382 -31.483 -14.801 1.00 52.05 H new ATOM 0 HD13 LEU A 74 -16.088 -29.956 -15.380 1.00 52.05 H new ATOM 0 HD21 LEU A 74 -17.909 -31.261 -17.496 1.00 2.43 H new ATOM 0 HD22 LEU A 74 -16.906 -29.824 -17.809 1.00 2.43 H new ATOM 0 HD23 LEU A 74 -16.743 -31.265 -18.841 1.00 2.43 H new ATOM 1206 N THR A 75 -12.333 -30.860 -20.332 1.00 32.11 N ATOM 1207 CA THR A 75 -10.960 -30.577 -20.731 1.00 15.10 C ATOM 1208 C THR A 75 -10.666 -31.133 -22.119 1.00 44.14 C ATOM 1209 O THR A 75 -11.086 -32.234 -22.476 1.00 24.15 O ATOM 1210 CB THR A 75 -9.951 -31.168 -19.729 1.00 2.32 C ATOM 1211 OG1 THR A 75 -10.611 -32.089 -18.854 1.00 12.35 O ATOM 1212 CG2 THR A 75 -9.292 -30.067 -18.911 1.00 53.44 C ATOM 0 H THR A 75 -12.891 -31.330 -21.045 1.00 32.11 H new ATOM 0 HA THR A 75 -10.852 -29.492 -20.747 1.00 15.10 H new ATOM 0 HB THR A 75 -9.179 -31.692 -20.292 1.00 2.32 H new ATOM 0 HG1 THR A 75 -10.866 -32.891 -19.356 1.00 12.35 H new ATOM 0 HG21 THR A 75 -8.583 -30.509 -18.210 1.00 53.44 H new ATOM 0 HG22 THR A 75 -8.765 -29.384 -19.578 1.00 53.44 H new ATOM 0 HG23 THR A 75 -10.055 -29.518 -18.358 1.00 53.44 H new ATOM 1220 N PRO A 76 -9.926 -30.356 -22.924 1.00 44.30 N ATOM 1221 CA PRO A 76 -9.557 -30.751 -24.287 1.00 20.24 C ATOM 1222 C PRO A 76 -8.551 -31.897 -24.306 1.00 31.15 C ATOM 1223 O PRO A 76 -8.559 -32.726 -25.214 1.00 73.54 O ATOM 1224 CB PRO A 76 -8.931 -29.481 -24.868 1.00 13.23 C ATOM 1225 CG PRO A 76 -8.432 -28.728 -23.683 1.00 22.51 C ATOM 1226 CD PRO A 76 -9.391 -29.031 -22.565 1.00 72.24 C ATOM 0 HA PRO A 76 -10.415 -31.116 -24.851 1.00 20.24 H new ATOM 0 HB2 PRO A 76 -8.120 -29.719 -25.556 1.00 13.23 H new ATOM 0 HB3 PRO A 76 -9.663 -28.899 -25.427 1.00 13.23 H new ATOM 0 HG2 PRO A 76 -7.419 -29.037 -23.423 1.00 22.51 H new ATOM 0 HG3 PRO A 76 -8.397 -27.658 -23.887 1.00 22.51 H new ATOM 0 HD2 PRO A 76 -8.888 -29.049 -21.598 1.00 72.24 H new ATOM 0 HD3 PRO A 76 -10.181 -28.283 -22.499 1.00 72.24 H new ATOM 1234 N GLU A 77 -7.687 -31.936 -23.296 1.00 64.53 N ATOM 1235 CA GLU A 77 -6.674 -32.981 -23.199 1.00 34.51 C ATOM 1236 C GLU A 77 -7.302 -34.363 -23.357 1.00 31.42 C ATOM 1237 O GLU A 77 -6.906 -35.142 -24.225 1.00 21.41 O ATOM 1238 CB GLU A 77 -5.944 -32.891 -21.857 1.00 60.34 C ATOM 1239 CG GLU A 77 -4.553 -32.289 -21.961 1.00 0.20 C ATOM 1240 CD GLU A 77 -3.509 -33.302 -22.387 1.00 64.15 C ATOM 1241 OE1 GLU A 77 -3.764 -34.516 -22.242 1.00 53.41 O ATOM 1242 OE2 GLU A 77 -2.435 -32.881 -22.867 1.00 51.40 O ATOM 0 H GLU A 77 -7.668 -31.257 -22.535 1.00 64.53 H new ATOM 0 HA GLU A 77 -5.956 -32.832 -24.006 1.00 34.51 H new ATOM 0 HB2 GLU A 77 -6.540 -32.292 -21.168 1.00 60.34 H new ATOM 0 HB3 GLU A 77 -5.868 -33.890 -21.427 1.00 60.34 H new ATOM 0 HG2 GLU A 77 -4.570 -31.467 -22.677 1.00 0.20 H new ATOM 0 HG3 GLU A 77 -4.271 -31.866 -20.997 1.00 0.20 H new ATOM 1249 N LEU A 78 -8.283 -34.661 -22.512 1.00 22.14 N ATOM 1250 CA LEU A 78 -8.966 -35.949 -22.556 1.00 32.22 C ATOM 1251 C LEU A 78 -9.500 -36.235 -23.956 1.00 3.21 C ATOM 1252 O LEU A 78 -9.162 -37.250 -24.566 1.00 14.22 O ATOM 1253 CB LEU A 78 -10.114 -35.975 -21.545 1.00 52.42 C ATOM 1254 CG LEU A 78 -9.730 -36.299 -20.101 1.00 72.52 C ATOM 1255 CD1 LEU A 78 -9.155 -37.704 -20.005 1.00 33.11 C ATOM 1256 CD2 LEU A 78 -8.736 -35.277 -19.571 1.00 11.33 C ATOM 0 H LEU A 78 -8.623 -34.028 -21.788 1.00 22.14 H new ATOM 0 HA LEU A 78 -8.244 -36.724 -22.297 1.00 32.22 H new ATOM 0 HB2 LEU A 78 -10.606 -35.003 -21.559 1.00 52.42 H new ATOM 0 HB3 LEU A 78 -10.848 -36.709 -21.878 1.00 52.42 H new ATOM 0 HG LEU A 78 -10.629 -36.253 -19.487 1.00 72.52 H new ATOM 0 HD11 LEU A 78 -8.887 -37.918 -18.970 1.00 33.11 H new ATOM 0 HD12 LEU A 78 -9.899 -38.425 -20.344 1.00 33.11 H new ATOM 0 HD13 LEU A 78 -8.267 -37.777 -20.632 1.00 33.11 H new ATOM 0 HD21 LEU A 78 -8.474 -35.524 -18.542 1.00 11.33 H new ATOM 0 HD22 LEU A 78 -7.837 -35.290 -20.187 1.00 11.33 H new ATOM 0 HD23 LEU A 78 -9.183 -34.284 -19.603 1.00 11.33 H new ATOM 1268 N LYS A 79 -10.333 -35.332 -24.461 1.00 52.14 N ATOM 1269 CA LYS A 79 -10.912 -35.484 -25.791 1.00 45.43 C ATOM 1270 C LYS A 79 -9.850 -35.908 -26.801 1.00 41.31 C ATOM 1271 O LYS A 79 -10.108 -36.730 -27.679 1.00 35.40 O ATOM 1272 CB LYS A 79 -11.562 -34.173 -26.239 1.00 72.05 C ATOM 1273 CG LYS A 79 -13.017 -34.043 -25.824 1.00 74.21 C ATOM 1274 CD LYS A 79 -13.730 -32.963 -26.620 1.00 74.01 C ATOM 1275 CE LYS A 79 -13.444 -31.578 -26.061 1.00 2.21 C ATOM 1276 NZ LYS A 79 -12.985 -30.636 -27.120 1.00 21.44 N ATOM 0 H LYS A 79 -10.623 -34.487 -23.969 1.00 52.14 H new ATOM 0 HA LYS A 79 -11.674 -36.262 -25.742 1.00 45.43 H new ATOM 0 HB2 LYS A 79 -10.998 -33.337 -25.824 1.00 72.05 H new ATOM 0 HB3 LYS A 79 -11.494 -34.096 -27.324 1.00 72.05 H new ATOM 0 HG2 LYS A 79 -13.524 -34.997 -25.968 1.00 74.21 H new ATOM 0 HG3 LYS A 79 -13.073 -33.810 -24.761 1.00 74.21 H new ATOM 0 HD2 LYS A 79 -13.413 -33.008 -27.662 1.00 74.01 H new ATOM 0 HD3 LYS A 79 -14.804 -33.148 -26.605 1.00 74.01 H new ATOM 0 HE2 LYS A 79 -14.344 -31.184 -25.590 1.00 2.21 H new ATOM 0 HE3 LYS A 79 -12.683 -31.650 -25.284 1.00 2.21 H new ATOM 0 HZ1 LYS A 79 -12.801 -29.703 -26.699 1.00 21.44 H new ATOM 0 HZ2 LYS A 79 -12.112 -30.999 -27.553 1.00 21.44 H new ATOM 0 HZ3 LYS A 79 -13.722 -30.547 -27.849 1.00 21.44 H new ATOM 1290 N ALA A 80 -8.655 -35.342 -26.669 1.00 43.23 N ATOM 1291 CA ALA A 80 -7.553 -35.664 -27.568 1.00 74.31 C ATOM 1292 C ALA A 80 -7.080 -37.099 -27.363 1.00 62.22 C ATOM 1293 O ALA A 80 -6.891 -37.844 -28.325 1.00 11.01 O ATOM 1294 CB ALA A 80 -6.402 -34.692 -27.362 1.00 4.33 C ATOM 0 H ALA A 80 -8.425 -34.658 -25.948 1.00 43.23 H new ATOM 0 HA ALA A 80 -7.913 -35.570 -28.593 1.00 74.31 H new ATOM 0 HB1 ALA A 80 -5.587 -34.945 -28.040 1.00 4.33 H new ATOM 0 HB2 ALA A 80 -6.742 -33.677 -27.566 1.00 4.33 H new ATOM 0 HB3 ALA A 80 -6.051 -34.757 -26.332 1.00 4.33 H new ATOM 1300 N SER A 81 -6.889 -37.480 -26.104 1.00 62.42 N ATOM 1301 CA SER A 81 -6.432 -38.825 -25.774 1.00 35.44 C ATOM 1302 C SER A 81 -7.454 -39.869 -26.214 1.00 71.35 C ATOM 1303 O SER A 81 -7.108 -40.856 -26.863 1.00 35.41 O ATOM 1304 CB SER A 81 -6.180 -38.946 -24.270 1.00 0.25 C ATOM 1305 OG SER A 81 -4.930 -38.380 -23.915 1.00 51.43 O ATOM 0 H SER A 81 -7.044 -36.877 -25.296 1.00 62.42 H new ATOM 0 HA SER A 81 -5.499 -39.006 -26.308 1.00 35.44 H new ATOM 0 HB2 SER A 81 -6.978 -38.445 -23.723 1.00 0.25 H new ATOM 0 HB3 SER A 81 -6.204 -39.996 -23.977 1.00 0.25 H new ATOM 0 HG SER A 81 -4.793 -38.468 -22.949 1.00 51.43 H new ATOM 1311 N MET A 82 -8.714 -39.643 -25.857 1.00 41.22 N ATOM 1312 CA MET A 82 -9.787 -40.563 -26.217 1.00 1.35 C ATOM 1313 C MET A 82 -9.950 -40.643 -27.731 1.00 65.21 C ATOM 1314 O MET A 82 -10.174 -41.720 -28.284 1.00 43.13 O ATOM 1315 CB MET A 82 -11.103 -40.121 -25.573 1.00 60.14 C ATOM 1316 CG MET A 82 -10.964 -39.730 -24.111 1.00 64.11 C ATOM 1317 SD MET A 82 -12.150 -40.576 -23.050 1.00 32.34 S ATOM 1318 CE MET A 82 -11.260 -42.087 -22.683 1.00 42.41 C ATOM 0 H MET A 82 -9.017 -38.831 -25.319 1.00 41.22 H new ATOM 0 HA MET A 82 -9.523 -41.553 -25.846 1.00 1.35 H new ATOM 0 HB2 MET A 82 -11.504 -39.274 -26.130 1.00 60.14 H new ATOM 0 HB3 MET A 82 -11.828 -40.930 -25.657 1.00 60.14 H new ATOM 0 HG2 MET A 82 -9.953 -39.957 -23.773 1.00 64.11 H new ATOM 0 HG3 MET A 82 -11.098 -38.653 -24.013 1.00 64.11 H new ATOM 0 HE1 MET A 82 -11.866 -42.718 -22.033 1.00 42.41 H new ATOM 0 HE2 MET A 82 -11.048 -42.619 -23.610 1.00 42.41 H new ATOM 0 HE3 MET A 82 -10.323 -41.845 -22.182 1.00 42.41 H new ATOM 1328 N ASP A 83 -9.836 -39.499 -28.395 1.00 45.54 N ATOM 1329 CA ASP A 83 -9.969 -39.440 -29.846 1.00 72.04 C ATOM 1330 C ASP A 83 -8.895 -40.283 -30.526 1.00 24.34 C ATOM 1331 O ASP A 83 -9.178 -41.029 -31.463 1.00 10.43 O ATOM 1332 CB ASP A 83 -9.880 -37.992 -30.330 1.00 51.22 C ATOM 1333 CG ASP A 83 -11.226 -37.295 -30.323 1.00 14.15 C ATOM 1334 OD1 ASP A 83 -12.223 -37.932 -29.921 1.00 24.41 O ATOM 1335 OD2 ASP A 83 -11.284 -36.112 -30.717 1.00 42.23 O ATOM 0 H ASP A 83 -9.652 -38.599 -27.952 1.00 45.54 H new ATOM 0 HA ASP A 83 -10.945 -39.845 -30.112 1.00 72.04 H new ATOM 0 HB2 ASP A 83 -9.186 -37.442 -29.695 1.00 51.22 H new ATOM 0 HB3 ASP A 83 -9.470 -37.974 -31.340 1.00 51.22 H new ATOM 1340 N GLU A 84 -7.661 -40.159 -30.046 1.00 41.44 N ATOM 1341 CA GLU A 84 -6.544 -40.908 -30.609 1.00 71.34 C ATOM 1342 C GLU A 84 -6.682 -42.398 -30.308 1.00 41.14 C ATOM 1343 O GLU A 84 -6.323 -43.244 -31.128 1.00 74.52 O ATOM 1344 CB GLU A 84 -5.218 -40.385 -30.054 1.00 21.13 C ATOM 1345 CG GLU A 84 -4.622 -39.249 -30.869 1.00 32.45 C ATOM 1346 CD GLU A 84 -3.159 -39.472 -31.196 1.00 45.15 C ATOM 1347 OE1 GLU A 84 -2.862 -40.386 -31.994 1.00 74.13 O ATOM 1348 OE2 GLU A 84 -2.310 -38.733 -30.656 1.00 3.13 O ATOM 0 H GLU A 84 -7.410 -39.547 -29.269 1.00 41.44 H new ATOM 0 HA GLU A 84 -6.556 -40.770 -31.690 1.00 71.34 H new ATOM 0 HB2 GLU A 84 -5.372 -40.044 -29.030 1.00 21.13 H new ATOM 0 HB3 GLU A 84 -4.502 -41.206 -30.013 1.00 21.13 H new ATOM 0 HG2 GLU A 84 -5.185 -39.137 -31.796 1.00 32.45 H new ATOM 0 HG3 GLU A 84 -4.729 -38.315 -30.317 1.00 32.45 H new ATOM 1355 N LEU A 85 -7.203 -42.711 -29.127 1.00 52.13 N ATOM 1356 CA LEU A 85 -7.389 -44.098 -28.716 1.00 64.22 C ATOM 1357 C LEU A 85 -8.547 -44.740 -29.473 1.00 62.31 C ATOM 1358 O LEU A 85 -8.522 -45.935 -29.768 1.00 31.41 O ATOM 1359 CB LEU A 85 -7.644 -44.175 -27.210 1.00 10.31 C ATOM 1360 CG LEU A 85 -6.428 -44.489 -26.338 1.00 61.20 C ATOM 1361 CD1 LEU A 85 -5.702 -43.210 -25.952 1.00 54.52 C ATOM 1362 CD2 LEU A 85 -6.848 -45.262 -25.096 1.00 4.30 C ATOM 0 H LEU A 85 -7.504 -42.023 -28.437 1.00 52.13 H new ATOM 0 HA LEU A 85 -6.477 -44.646 -28.952 1.00 64.22 H new ATOM 0 HB2 LEU A 85 -8.064 -43.223 -26.884 1.00 10.31 H new ATOM 0 HB3 LEU A 85 -8.402 -44.937 -27.029 1.00 10.31 H new ATOM 0 HG LEU A 85 -5.743 -45.111 -26.914 1.00 61.20 H new ATOM 0 HD11 LEU A 85 -4.840 -43.454 -25.332 1.00 54.52 H new ATOM 0 HD12 LEU A 85 -5.367 -42.696 -26.853 1.00 54.52 H new ATOM 0 HD13 LEU A 85 -6.378 -42.562 -25.394 1.00 54.52 H new ATOM 0 HD21 LEU A 85 -5.970 -45.477 -24.487 1.00 4.30 H new ATOM 0 HD22 LEU A 85 -7.554 -44.666 -24.518 1.00 4.30 H new ATOM 0 HD23 LEU A 85 -7.322 -46.198 -25.393 1.00 4.30 H new ATOM 1374 N ARG A 86 -9.559 -43.938 -29.787 1.00 31.34 N ATOM 1375 CA ARG A 86 -10.726 -44.428 -30.510 1.00 71.03 C ATOM 1376 C ARG A 86 -10.381 -44.713 -31.969 1.00 61.20 C ATOM 1377 O ARG A 86 -10.652 -45.800 -32.479 1.00 42.22 O ATOM 1378 CB ARG A 86 -11.865 -43.409 -30.434 1.00 64.12 C ATOM 1379 CG ARG A 86 -13.247 -44.041 -30.415 1.00 40.44 C ATOM 1380 CD ARG A 86 -14.039 -43.612 -29.190 1.00 25.13 C ATOM 1381 NE ARG A 86 -15.443 -43.364 -29.504 1.00 41.13 N ATOM 1382 CZ ARG A 86 -16.351 -44.326 -29.622 1.00 21.42 C ATOM 1383 NH1 ARG A 86 -16.003 -45.594 -29.451 1.00 75.51 N ATOM 1384 NH2 ARG A 86 -17.610 -44.021 -29.910 1.00 64.01 N ATOM 0 H ARG A 86 -9.594 -42.946 -29.552 1.00 31.34 H new ATOM 0 HA ARG A 86 -11.048 -45.358 -30.042 1.00 71.03 H new ATOM 0 HB2 ARG A 86 -11.740 -42.803 -29.537 1.00 64.12 H new ATOM 0 HB3 ARG A 86 -11.795 -42.734 -31.287 1.00 64.12 H new ATOM 0 HG2 ARG A 86 -13.790 -43.759 -31.317 1.00 40.44 H new ATOM 0 HG3 ARG A 86 -13.152 -45.127 -30.426 1.00 40.44 H new ATOM 0 HD2 ARG A 86 -13.970 -44.385 -28.425 1.00 25.13 H new ATOM 0 HD3 ARG A 86 -13.596 -42.708 -28.771 1.00 25.13 H new ATOM 0 HE ARG A 86 -15.743 -42.399 -29.640 1.00 41.13 H new ATOM 0 HH11 ARG A 86 -15.036 -45.832 -29.228 1.00 75.51 H new ATOM 0 HH12 ARG A 86 -16.702 -46.331 -29.542 1.00 75.51 H new ATOM 0 HH21 ARG A 86 -17.882 -43.047 -30.041 1.00 64.01 H new ATOM 0 HH22 ARG A 86 -18.306 -44.761 -30.000 1.00 64.01 H new ATOM 1398 N GLN A 87 -9.783 -43.730 -32.633 1.00 43.43 N ATOM 1399 CA GLN A 87 -9.402 -43.875 -34.033 1.00 71.14 C ATOM 1400 C GLN A 87 -8.346 -44.962 -34.200 1.00 62.52 C ATOM 1401 O GLN A 87 -8.404 -45.760 -35.136 1.00 15.04 O ATOM 1402 CB GLN A 87 -8.875 -42.548 -34.581 1.00 55.42 C ATOM 1403 CG GLN A 87 -9.869 -41.403 -34.462 1.00 21.14 C ATOM 1404 CD GLN A 87 -10.183 -40.761 -35.798 1.00 40.14 C ATOM 1405 OE1 GLN A 87 -11.309 -40.841 -36.289 1.00 74.13 O ATOM 1406 NE2 GLN A 87 -9.186 -40.118 -36.396 1.00 31.34 N ATOM 0 H GLN A 87 -9.552 -42.824 -32.224 1.00 43.43 H new ATOM 0 HA GLN A 87 -10.289 -44.166 -34.596 1.00 71.14 H new ATOM 0 HB2 GLN A 87 -7.961 -42.282 -34.049 1.00 55.42 H new ATOM 0 HB3 GLN A 87 -8.607 -42.678 -35.630 1.00 55.42 H new ATOM 0 HG2 GLN A 87 -10.792 -41.773 -34.015 1.00 21.14 H new ATOM 0 HG3 GLN A 87 -9.468 -40.648 -33.786 1.00 21.14 H new ATOM 0 HE21 GLN A 87 -8.268 -40.076 -35.953 1.00 31.34 H new ATOM 0 HE22 GLN A 87 -9.339 -39.666 -37.298 1.00 31.34 H new ATOM 1415 N ALA A 88 -7.381 -44.988 -33.287 1.00 45.11 N ATOM 1416 CA ALA A 88 -6.312 -45.978 -33.332 1.00 70.34 C ATOM 1417 C ALA A 88 -6.853 -47.382 -33.081 1.00 52.40 C ATOM 1418 O ALA A 88 -6.492 -48.330 -33.777 1.00 31.12 O ATOM 1419 CB ALA A 88 -5.233 -45.637 -32.316 1.00 5.10 C ATOM 0 H ALA A 88 -7.317 -44.334 -32.507 1.00 45.11 H new ATOM 0 HA ALA A 88 -5.874 -45.958 -34.330 1.00 70.34 H new ATOM 0 HB1 ALA A 88 -4.441 -46.385 -32.361 1.00 5.10 H new ATOM 0 HB2 ALA A 88 -4.818 -44.655 -32.542 1.00 5.10 H new ATOM 0 HB3 ALA A 88 -5.666 -45.626 -31.316 1.00 5.10 H new ATOM 1425 N ALA A 89 -7.721 -47.506 -32.082 1.00 24.02 N ATOM 1426 CA ALA A 89 -8.312 -48.793 -31.740 1.00 33.52 C ATOM 1427 C ALA A 89 -9.283 -49.256 -32.821 1.00 60.11 C ATOM 1428 O ALA A 89 -9.300 -50.430 -33.191 1.00 15.34 O ATOM 1429 CB ALA A 89 -9.019 -48.709 -30.395 1.00 24.12 C ATOM 0 H ALA A 89 -8.030 -46.731 -31.496 1.00 24.02 H new ATOM 0 HA ALA A 89 -7.509 -49.526 -31.671 1.00 33.52 H new ATOM 0 HB1 ALA A 89 -9.456 -49.678 -30.152 1.00 24.12 H new ATOM 0 HB2 ALA A 89 -8.301 -48.431 -29.623 1.00 24.12 H new ATOM 0 HB3 ALA A 89 -9.807 -47.958 -30.445 1.00 24.12 H new ATOM 1435 N GLU A 90 -10.089 -48.326 -33.323 1.00 73.24 N ATOM 1436 CA GLU A 90 -11.064 -48.641 -34.361 1.00 42.15 C ATOM 1437 C GLU A 90 -10.368 -48.977 -35.677 1.00 42.43 C ATOM 1438 O GLU A 90 -10.707 -49.958 -36.339 1.00 13.42 O ATOM 1439 CB GLU A 90 -12.023 -47.466 -34.565 1.00 31.25 C ATOM 1440 CG GLU A 90 -13.189 -47.457 -33.590 1.00 4.32 C ATOM 1441 CD GLU A 90 -13.913 -46.125 -33.559 1.00 5.40 C ATOM 1442 OE1 GLU A 90 -13.247 -45.092 -33.337 1.00 43.11 O ATOM 1443 OE2 GLU A 90 -15.146 -46.116 -33.757 1.00 44.53 O ATOM 0 H GLU A 90 -10.086 -47.349 -33.028 1.00 73.24 H new ATOM 0 HA GLU A 90 -11.632 -49.513 -34.037 1.00 42.15 H new ATOM 0 HB2 GLU A 90 -11.468 -46.533 -34.464 1.00 31.25 H new ATOM 0 HB3 GLU A 90 -12.411 -47.497 -35.583 1.00 31.25 H new ATOM 0 HG2 GLU A 90 -13.893 -48.243 -33.864 1.00 4.32 H new ATOM 0 HG3 GLU A 90 -12.824 -47.691 -32.590 1.00 4.32 H new ATOM 1450 N SER A 91 -9.392 -48.154 -36.051 1.00 34.43 N ATOM 1451 CA SER A 91 -8.651 -48.361 -37.289 1.00 41.33 C ATOM 1452 C SER A 91 -7.934 -49.707 -37.275 1.00 61.33 C ATOM 1453 O SER A 91 -8.008 -50.472 -38.237 1.00 2.12 O ATOM 1454 CB SER A 91 -7.638 -47.233 -37.496 1.00 11.11 C ATOM 1455 OG SER A 91 -6.593 -47.304 -36.541 1.00 73.42 O ATOM 0 H SER A 91 -9.097 -47.338 -35.514 1.00 34.43 H new ATOM 0 HA SER A 91 -9.363 -48.357 -38.114 1.00 41.33 H new ATOM 0 HB2 SER A 91 -7.221 -47.294 -38.501 1.00 11.11 H new ATOM 0 HB3 SER A 91 -8.141 -46.269 -37.418 1.00 11.11 H new ATOM 0 HG SER A 91 -6.907 -46.944 -35.685 1.00 73.42 H new ATOM 1461 N MET A 92 -7.240 -49.990 -36.178 1.00 12.25 N ATOM 1462 CA MET A 92 -6.510 -51.244 -36.037 1.00 33.40 C ATOM 1463 C MET A 92 -7.469 -52.430 -36.002 1.00 32.20 C ATOM 1464 O MET A 92 -7.195 -53.481 -36.581 1.00 64.43 O ATOM 1465 CB MET A 92 -5.659 -51.224 -34.766 1.00 61.30 C ATOM 1466 CG MET A 92 -4.228 -50.768 -35.000 1.00 51.41 C ATOM 1467 SD MET A 92 -3.357 -50.399 -33.465 1.00 64.42 S ATOM 1468 CE MET A 92 -4.047 -51.643 -32.377 1.00 60.41 C ATOM 0 H MET A 92 -7.168 -49.367 -35.373 1.00 12.25 H new ATOM 0 HA MET A 92 -5.856 -51.353 -36.902 1.00 33.40 H new ATOM 0 HB2 MET A 92 -6.127 -50.564 -34.036 1.00 61.30 H new ATOM 0 HB3 MET A 92 -5.647 -52.223 -34.331 1.00 61.30 H new ATOM 0 HG2 MET A 92 -3.688 -51.544 -35.542 1.00 51.41 H new ATOM 0 HG3 MET A 92 -4.232 -49.881 -35.633 1.00 51.41 H new ATOM 0 HE1 MET A 92 -3.463 -51.687 -31.458 1.00 60.41 H new ATOM 0 HE2 MET A 92 -5.079 -51.386 -32.139 1.00 60.41 H new ATOM 0 HE3 MET A 92 -4.020 -52.614 -32.871 1.00 60.41 H new ATOM 1478 N LYS A 93 -8.595 -52.255 -35.319 1.00 11.13 N ATOM 1479 CA LYS A 93 -9.596 -53.310 -35.208 1.00 41.44 C ATOM 1480 C LYS A 93 -10.351 -53.482 -36.522 1.00 73.42 C ATOM 1481 O LYS A 93 -10.936 -54.535 -36.779 1.00 11.21 O ATOM 1482 CB LYS A 93 -10.580 -52.991 -34.080 1.00 63.52 C ATOM 1483 CG LYS A 93 -11.858 -53.810 -34.139 1.00 24.44 C ATOM 1484 CD LYS A 93 -12.401 -54.095 -32.749 1.00 33.34 C ATOM 1485 CE LYS A 93 -11.492 -55.039 -31.977 1.00 22.11 C ATOM 1486 NZ LYS A 93 -12.186 -56.306 -31.616 1.00 23.33 N ATOM 0 H LYS A 93 -8.838 -51.392 -34.833 1.00 11.13 H new ATOM 0 HA LYS A 93 -9.081 -54.243 -34.979 1.00 41.44 H new ATOM 0 HB2 LYS A 93 -10.090 -53.165 -33.122 1.00 63.52 H new ATOM 0 HB3 LYS A 93 -10.835 -51.932 -34.120 1.00 63.52 H new ATOM 0 HG2 LYS A 93 -12.608 -53.275 -34.721 1.00 24.44 H new ATOM 0 HG3 LYS A 93 -11.665 -54.750 -34.655 1.00 24.44 H new ATOM 0 HD2 LYS A 93 -12.506 -53.159 -32.200 1.00 33.34 H new ATOM 0 HD3 LYS A 93 -13.397 -54.531 -32.829 1.00 33.34 H new ATOM 0 HE2 LYS A 93 -10.611 -55.266 -32.577 1.00 22.11 H new ATOM 0 HE3 LYS A 93 -11.142 -54.546 -31.070 1.00 22.11 H new ATOM 0 HZ1 LYS A 93 -11.533 -56.922 -31.091 1.00 23.33 H new ATOM 0 HZ2 LYS A 93 -13.013 -56.092 -31.022 1.00 23.33 H new ATOM 0 HZ3 LYS A 93 -12.498 -56.790 -32.482 1.00 23.33 H new ATOM 1500 N ARG A 94 -10.333 -52.444 -37.351 1.00 13.51 N ATOM 1501 CA ARG A 94 -11.017 -52.481 -38.638 1.00 65.33 C ATOM 1502 C ARG A 94 -10.178 -53.221 -39.677 1.00 53.41 C ATOM 1503 O ARG A 94 -10.709 -53.960 -40.505 1.00 72.35 O ATOM 1504 CB ARG A 94 -11.314 -51.061 -39.124 1.00 24.41 C ATOM 1505 CG ARG A 94 -11.664 -50.984 -40.601 1.00 13.42 C ATOM 1506 CD ARG A 94 -12.771 -49.973 -40.858 1.00 74.40 C ATOM 1507 NE ARG A 94 -13.979 -50.606 -41.382 1.00 62.21 N ATOM 1508 CZ ARG A 94 -14.062 -51.138 -42.597 1.00 10.53 C ATOM 1509 NH1 ARG A 94 -13.014 -51.113 -43.408 1.00 43.31 N ATOM 1510 NH2 ARG A 94 -15.196 -51.696 -43.002 1.00 4.32 N ATOM 0 H ARG A 94 -9.852 -51.566 -37.154 1.00 13.51 H new ATOM 0 HA ARG A 94 -11.958 -53.016 -38.506 1.00 65.33 H new ATOM 0 HB2 ARG A 94 -12.140 -50.652 -38.542 1.00 24.41 H new ATOM 0 HB3 ARG A 94 -10.446 -50.431 -38.932 1.00 24.41 H new ATOM 0 HG2 ARG A 94 -10.778 -50.708 -41.172 1.00 13.42 H new ATOM 0 HG3 ARG A 94 -11.978 -51.967 -40.954 1.00 13.42 H new ATOM 0 HD2 ARG A 94 -13.008 -49.451 -39.931 1.00 74.40 H new ATOM 0 HD3 ARG A 94 -12.419 -49.222 -41.565 1.00 74.40 H new ATOM 0 HE ARG A 94 -14.804 -50.642 -40.783 1.00 62.21 H new ATOM 0 HH11 ARG A 94 -12.141 -50.685 -43.100 1.00 43.31 H new ATOM 0 HH12 ARG A 94 -13.080 -51.522 -44.340 1.00 43.31 H new ATOM 0 HH21 ARG A 94 -16.005 -51.717 -42.381 1.00 4.32 H new ATOM 0 HH22 ARG A 94 -15.259 -52.104 -43.935 1.00 4.32 H new ATOM 1524 N SER A 95 -8.866 -53.015 -39.627 1.00 11.44 N ATOM 1525 CA SER A 95 -7.955 -53.658 -40.566 1.00 3.13 C ATOM 1526 C SER A 95 -7.552 -55.043 -40.069 1.00 71.35 C ATOM 1527 O SER A 95 -7.173 -55.911 -40.856 1.00 42.15 O ATOM 1528 CB SER A 95 -6.708 -52.795 -40.771 1.00 71.24 C ATOM 1529 OG SER A 95 -6.378 -52.695 -42.146 1.00 33.11 O ATOM 0 H SER A 95 -8.410 -52.408 -38.946 1.00 11.44 H new ATOM 0 HA SER A 95 -8.473 -53.769 -41.519 1.00 3.13 H new ATOM 0 HB2 SER A 95 -6.879 -51.800 -40.361 1.00 71.24 H new ATOM 0 HB3 SER A 95 -5.870 -53.225 -40.223 1.00 71.24 H new ATOM 0 HG SER A 95 -5.579 -52.137 -42.251 1.00 33.11 H new ATOM 1535 N TYR A 96 -7.637 -55.243 -38.759 1.00 74.11 N ATOM 1536 CA TYR A 96 -7.280 -56.522 -38.156 1.00 10.51 C ATOM 1537 C TYR A 96 -8.251 -57.617 -38.586 1.00 22.11 C ATOM 1538 O TYR A 96 -7.839 -58.686 -39.036 1.00 60.33 O ATOM 1539 CB TYR A 96 -7.269 -56.404 -36.631 1.00 23.41 C ATOM 1540 CG TYR A 96 -6.904 -57.692 -35.927 1.00 62.03 C ATOM 1541 CD1 TYR A 96 -5.927 -58.535 -36.442 1.00 21.31 C ATOM 1542 CD2 TYR A 96 -7.535 -58.065 -34.747 1.00 55.31 C ATOM 1543 CE1 TYR A 96 -5.591 -59.713 -35.803 1.00 31.02 C ATOM 1544 CE2 TYR A 96 -7.205 -59.240 -34.100 1.00 40.13 C ATOM 1545 CZ TYR A 96 -6.233 -60.061 -34.632 1.00 44.23 C ATOM 1546 OH TYR A 96 -5.900 -61.232 -33.992 1.00 22.42 O ATOM 0 H TYR A 96 -7.950 -54.536 -38.094 1.00 74.11 H new ATOM 0 HA TYR A 96 -6.282 -56.792 -38.500 1.00 10.51 H new ATOM 0 HB2 TYR A 96 -6.562 -55.628 -36.340 1.00 23.41 H new ATOM 0 HB3 TYR A 96 -8.254 -56.081 -36.293 1.00 23.41 H new ATOM 0 HD1 TYR A 96 -5.422 -58.265 -37.357 1.00 21.31 H new ATOM 0 HD2 TYR A 96 -8.297 -57.425 -34.328 1.00 55.31 H new ATOM 0 HE1 TYR A 96 -4.830 -60.358 -36.218 1.00 31.02 H new ATOM 0 HE2 TYR A 96 -7.705 -59.514 -33.183 1.00 40.13 H new ATOM 0 HH TYR A 96 -6.443 -61.328 -33.182 1.00 22.42 H new ATOM 1556 N VAL A 97 -9.544 -57.342 -38.444 1.00 24.32 N ATOM 1557 CA VAL A 97 -10.575 -58.302 -38.819 1.00 21.34 C ATOM 1558 C VAL A 97 -10.860 -58.247 -40.315 1.00 41.42 C ATOM 1559 O VAL A 97 -12.001 -58.051 -40.733 1.00 44.23 O ATOM 1560 CB VAL A 97 -11.884 -58.049 -38.048 1.00 53.10 C ATOM 1561 CG1 VAL A 97 -11.723 -58.423 -36.583 1.00 23.34 C ATOM 1562 CG2 VAL A 97 -12.314 -56.597 -38.191 1.00 42.45 C ATOM 0 H VAL A 97 -9.902 -56.462 -38.072 1.00 24.32 H new ATOM 0 HA VAL A 97 -10.195 -59.291 -38.561 1.00 21.34 H new ATOM 0 HB VAL A 97 -12.664 -58.680 -38.475 1.00 53.10 H new ATOM 0 HG11 VAL A 97 -12.658 -58.237 -36.055 1.00 23.34 H new ATOM 0 HG12 VAL A 97 -11.465 -59.479 -36.503 1.00 23.34 H new ATOM 0 HG13 VAL A 97 -10.930 -57.821 -36.139 1.00 23.34 H new ATOM 0 HG21 VAL A 97 -13.241 -56.436 -37.640 1.00 42.45 H new ATOM 0 HG22 VAL A 97 -11.536 -55.946 -37.791 1.00 42.45 H new ATOM 0 HG23 VAL A 97 -12.474 -56.367 -39.244 1.00 42.45 H new ATOM 1572 N ALA A 98 -9.815 -58.421 -41.118 1.00 10.32 N ATOM 1573 CA ALA A 98 -9.953 -58.393 -42.569 1.00 11.24 C ATOM 1574 C ALA A 98 -8.593 -58.484 -43.251 1.00 63.14 C ATOM 1575 O ALA A 98 -8.472 -59.038 -44.343 1.00 42.33 O ATOM 1576 CB ALA A 98 -10.681 -57.130 -43.005 1.00 74.33 C ATOM 0 H ALA A 98 -8.864 -58.583 -40.788 1.00 10.32 H new ATOM 0 HA ALA A 98 -10.540 -59.260 -42.871 1.00 11.24 H new ATOM 0 HB1 ALA A 98 -10.777 -57.122 -44.091 1.00 74.33 H new ATOM 0 HB2 ALA A 98 -11.672 -57.107 -42.553 1.00 74.33 H new ATOM 0 HB3 ALA A 98 -10.116 -56.255 -42.684 1.00 74.33 H new ATOM 1582 N ASN A 99 -7.571 -57.936 -42.601 1.00 33.42 N ATOM 1583 CA ASN A 99 -6.219 -57.955 -43.147 1.00 30.24 C ATOM 1584 C ASN A 99 -5.189 -58.163 -42.041 1.00 22.03 C ATOM 1585 O ASN A 99 -4.293 -57.340 -41.850 1.00 62.53 O ATOM 1586 CB ASN A 99 -5.929 -56.650 -43.891 1.00 22.23 C ATOM 1587 CG ASN A 99 -7.117 -56.170 -44.701 1.00 72.33 C ATOM 1588 OD1 ASN A 99 -7.992 -55.472 -44.188 1.00 21.42 O ATOM 1589 ND2 ASN A 99 -7.154 -56.544 -45.975 1.00 41.42 N ATOM 0 H ASN A 99 -7.654 -57.473 -41.696 1.00 33.42 H new ATOM 0 HA ASN A 99 -6.148 -58.788 -43.847 1.00 30.24 H new ATOM 0 HB2 ASN A 99 -5.648 -55.880 -43.172 1.00 22.23 H new ATOM 0 HB3 ASN A 99 -5.076 -56.795 -44.554 1.00 22.23 H new ATOM 0 HD21 ASN A 99 -7.929 -56.252 -46.570 1.00 41.42 H new ATOM 0 HD22 ASN A 99 -6.407 -57.123 -46.358 1.00 41.42 H new ATOM 1596 N ASP A 100 -5.323 -59.268 -41.315 1.00 43.31 N ATOM 1597 CA ASP A 100 -4.403 -59.585 -40.229 1.00 21.30 C ATOM 1598 C ASP A 100 -2.961 -59.608 -40.727 1.00 11.31 C ATOM 1599 O ASP A 100 -2.054 -59.058 -40.102 1.00 10.20 O ATOM 1600 CB ASP A 100 -4.762 -60.936 -39.607 1.00 3.54 C ATOM 1601 CG ASP A 100 -6.256 -61.106 -39.414 1.00 41.42 C ATOM 1602 OD1 ASP A 100 -6.955 -61.385 -40.411 1.00 22.30 O ATOM 1603 OD2 ASP A 100 -6.726 -60.960 -38.267 1.00 13.12 O ATOM 0 H ASP A 100 -6.060 -59.959 -41.459 1.00 43.31 H new ATOM 0 HA ASP A 100 -4.494 -58.808 -39.470 1.00 21.30 H new ATOM 0 HB2 ASP A 100 -4.388 -61.737 -40.244 1.00 3.54 H new ATOM 0 HB3 ASP A 100 -4.261 -61.034 -38.644 1.00 3.54 H new ATOM 1608 N PRO A 101 -2.743 -60.260 -41.879 1.00 4.53 N ATOM 1609 CA PRO A 101 -1.413 -60.370 -42.486 1.00 21.02 C ATOM 1610 C PRO A 101 -0.912 -59.037 -43.031 1.00 73.15 C ATOM 1611 O PRO A 101 0.240 -58.919 -43.450 1.00 62.42 O ATOM 1612 CB PRO A 101 -1.626 -61.369 -43.626 1.00 45.21 C ATOM 1613 CG PRO A 101 -3.071 -61.252 -43.967 1.00 60.13 C ATOM 1614 CD PRO A 101 -3.777 -60.938 -42.677 1.00 60.42 C ATOM 0 HA PRO A 101 -0.659 -60.682 -41.763 1.00 21.02 H new ATOM 0 HB2 PRO A 101 -0.996 -61.131 -44.483 1.00 45.21 H new ATOM 0 HB3 PRO A 101 -1.373 -62.383 -43.316 1.00 45.21 H new ATOM 0 HG2 PRO A 101 -3.236 -60.465 -44.703 1.00 60.13 H new ATOM 0 HG3 PRO A 101 -3.446 -62.179 -44.401 1.00 60.13 H new ATOM 0 HD2 PRO A 101 -4.644 -60.297 -42.839 1.00 60.42 H new ATOM 0 HD3 PRO A 101 -4.136 -61.842 -42.185 1.00 60.42 H new ATOM 1622 N LEU A 102 -1.784 -58.035 -43.024 1.00 33.03 N ATOM 1623 CA LEU A 102 -1.430 -56.709 -43.518 1.00 12.22 C ATOM 1624 C LEU A 102 -0.195 -56.173 -42.801 1.00 12.51 C ATOM 1625 O LEU A 102 0.594 -55.426 -43.379 1.00 61.52 O ATOM 1626 CB LEU A 102 -2.602 -55.744 -43.330 1.00 50.45 C ATOM 1627 CG LEU A 102 -2.731 -55.104 -41.947 1.00 64.44 C ATOM 1628 CD1 LEU A 102 -1.675 -54.026 -41.757 1.00 61.34 C ATOM 1629 CD2 LEU A 102 -4.125 -54.527 -41.754 1.00 34.50 C ATOM 0 H LEU A 102 -2.741 -58.116 -42.682 1.00 33.03 H new ATOM 0 HA LEU A 102 -1.203 -56.792 -44.581 1.00 12.22 H new ATOM 0 HB2 LEU A 102 -2.513 -54.948 -44.069 1.00 50.45 H new ATOM 0 HB3 LEU A 102 -3.526 -56.280 -43.548 1.00 50.45 H new ATOM 0 HG LEU A 102 -2.572 -55.876 -41.194 1.00 64.44 H new ATOM 0 HD11 LEU A 102 -1.782 -53.582 -40.767 1.00 61.34 H new ATOM 0 HD12 LEU A 102 -0.683 -54.468 -41.851 1.00 61.34 H new ATOM 0 HD13 LEU A 102 -1.802 -53.255 -42.517 1.00 61.34 H new ATOM 0 HD21 LEU A 102 -4.198 -54.076 -40.764 1.00 34.50 H new ATOM 0 HD22 LEU A 102 -4.313 -53.768 -42.514 1.00 34.50 H new ATOM 0 HD23 LEU A 102 -4.864 -55.323 -41.845 1.00 34.50 H new ATOM 1641 N GLU A 103 -0.035 -56.560 -41.539 1.00 45.14 N ATOM 1642 CA GLU A 103 1.106 -56.119 -40.745 1.00 13.51 C ATOM 1643 C GLU A 103 2.420 -56.466 -41.439 1.00 14.21 C ATOM 1644 O GLU A 103 2.427 -57.074 -42.510 1.00 23.45 O ATOM 1645 CB GLU A 103 1.066 -56.758 -39.355 1.00 74.24 C ATOM 1646 CG GLU A 103 1.406 -58.239 -39.357 1.00 74.11 C ATOM 1647 CD GLU A 103 2.642 -58.555 -38.538 1.00 12.35 C ATOM 1648 OE1 GLU A 103 2.868 -57.872 -37.517 1.00 10.11 O ATOM 1649 OE2 GLU A 103 3.383 -59.486 -38.917 1.00 51.54 O ATOM 0 H GLU A 103 -0.680 -57.177 -41.045 1.00 45.14 H new ATOM 0 HA GLU A 103 1.046 -55.036 -40.641 1.00 13.51 H new ATOM 0 HB2 GLU A 103 1.765 -56.234 -38.703 1.00 74.24 H new ATOM 0 HB3 GLU A 103 0.071 -56.623 -38.930 1.00 74.24 H new ATOM 0 HG2 GLU A 103 0.560 -58.803 -38.963 1.00 74.11 H new ATOM 0 HG3 GLU A 103 1.560 -58.571 -40.384 1.00 74.11 H new ATOM 1656 N HIS A 104 3.530 -56.074 -40.822 1.00 12.13 N ATOM 1657 CA HIS A 104 4.850 -56.343 -41.379 1.00 63.24 C ATOM 1658 C HIS A 104 5.005 -57.822 -41.720 1.00 30.42 C ATOM 1659 O HIS A 104 4.937 -58.682 -40.840 1.00 45.32 O ATOM 1660 CB HIS A 104 5.940 -55.918 -40.394 1.00 74.03 C ATOM 1661 CG HIS A 104 6.847 -54.853 -40.928 1.00 1.30 C ATOM 1662 ND1 HIS A 104 8.220 -54.978 -40.955 1.00 1.54 N ATOM 1663 CD2 HIS A 104 6.571 -53.639 -41.459 1.00 52.21 C ATOM 1664 CE1 HIS A 104 8.749 -53.886 -41.477 1.00 42.33 C ATOM 1665 NE2 HIS A 104 7.770 -53.058 -41.792 1.00 54.33 N ATOM 0 H HIS A 104 3.541 -55.569 -39.936 1.00 12.13 H new ATOM 0 HA HIS A 104 4.954 -55.764 -42.296 1.00 63.24 H new ATOM 0 HB2 HIS A 104 5.471 -55.558 -39.478 1.00 74.03 H new ATOM 0 HB3 HIS A 104 6.536 -56.790 -40.126 1.00 74.03 H new ATOM 0 HD2 HIS A 104 5.590 -53.208 -41.595 1.00 52.21 H new ATOM 0 HE1 HIS A 104 9.803 -53.702 -41.622 1.00 42.33 H new ATOM 0 HE2 HIS A 104 7.885 -52.137 -42.214 1.00 54.33 H new TER 1673 HIS A 104