USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 617 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 82 HIS : no HD1:sc= -0.286 K(o=-0.59,f=-3.4) USER MOD Set 1.2: A 84 THR OG1 : rot -38:sc= -0.3 USER MOD Set 2.1: A 46 THR OG1 : rot 180:sc= 0.0989 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -114:sc= -0.0259 (180deg=-0.231) USER MOD Single : A 25 MET CE :methyl 136:sc= -1.19 (180deg=-1.55) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 0.592 (180deg=0.585) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 42:sc= 0.0648 USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 0.209 (180deg=-0.38) USER MOD Single : A 42 THR OG1 : rot -88:sc= 0.791 USER MOD Single : A 44 SER OG : rot 180:sc=-0.00747 USER MOD Single : A 45 THR OG1 : rot -167:sc= 1.09 USER MOD Single : A 49 MET CE :methyl -122:sc= -0.622 (180deg=-2.46!) USER MOD Single : A 50 SER OG : rot 62:sc= 0.123 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -29:sc= 0.309 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot -32:sc= 0.19 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -34:sc= 0.00234 USER MOD Single : A 89 LYS NZ :NH3+ 158:sc= 0.947 (180deg=-0.0679) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HE2:sc= -0.635 K(o=-0.64,f=-1.6) USER MOD Single : A 96 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=-0.51) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-0.39) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 0.576 3.627 7.466 1.00 0.00 N ATOM 2 CA ALA A 22 0.229 2.725 6.343 1.00 71.14 C ATOM 3 C ALA A 22 -1.160 2.083 6.563 1.00 14.22 C ATOM 4 O ALA A 22 -1.481 1.675 7.680 1.00 21.54 O ATOM 5 CB ALA A 22 1.311 1.656 6.190 1.00 1.44 C ATOM 0 HA ALA A 22 0.179 3.307 5.423 1.00 71.14 H new ATOM 0 HB1 ALA A 22 1.054 0.994 5.363 1.00 1.44 H new ATOM 0 HB2 ALA A 22 2.269 2.134 5.987 1.00 1.44 H new ATOM 0 HB3 ALA A 22 1.383 1.077 7.110 1.00 1.44 H new ATOM 13 N GLU A 23 -1.970 1.984 5.485 1.00 30.41 N ATOM 14 CA GLU A 23 -3.371 1.495 5.548 1.00 55.54 C ATOM 15 C GLU A 23 -3.725 0.725 4.260 1.00 52.41 C ATOM 16 O GLU A 23 -3.297 1.114 3.174 1.00 12.20 O ATOM 17 CB GLU A 23 -4.332 2.701 5.746 1.00 35.51 C ATOM 18 CG GLU A 23 -4.264 3.755 4.615 1.00 11.43 C ATOM 19 CD GLU A 23 -4.944 5.084 4.972 1.00 30.32 C ATOM 20 OE1 GLU A 23 -4.421 5.799 5.852 1.00 41.14 O ATOM 21 OE2 GLU A 23 -5.986 5.428 4.378 1.00 72.11 O ATOM 0 H GLU A 23 -1.672 2.241 4.544 1.00 30.41 H new ATOM 0 HA GLU A 23 -3.479 0.814 6.392 1.00 55.54 H new ATOM 0 HB2 GLU A 23 -5.354 2.329 5.821 1.00 35.51 H new ATOM 0 HB3 GLU A 23 -4.099 3.186 6.694 1.00 35.51 H new ATOM 0 HG2 GLU A 23 -3.219 3.945 4.370 1.00 11.43 H new ATOM 0 HG3 GLU A 23 -4.732 3.346 3.720 1.00 11.43 H new ATOM 28 N ILE A 24 -4.500 -0.366 4.384 1.00 43.10 N ATOM 29 CA ILE A 24 -4.910 -1.191 3.227 1.00 41.31 C ATOM 30 C ILE A 24 -6.038 -0.497 2.438 1.00 62.33 C ATOM 31 O ILE A 24 -7.141 -0.287 2.958 1.00 51.13 O ATOM 32 CB ILE A 24 -5.340 -2.645 3.675 1.00 1.11 C ATOM 33 CG1 ILE A 24 -4.113 -3.423 4.243 1.00 54.42 C ATOM 34 CG2 ILE A 24 -6.003 -3.439 2.521 1.00 42.14 C ATOM 35 CD1 ILE A 24 -2.974 -3.633 3.249 1.00 63.35 C ATOM 0 H ILE A 24 -4.859 -0.701 5.278 1.00 43.10 H new ATOM 0 HA ILE A 24 -4.047 -1.296 2.569 1.00 41.31 H new ATOM 0 HB ILE A 24 -6.087 -2.537 4.461 1.00 1.11 H new ATOM 0 HG12 ILE A 24 -3.727 -2.884 5.108 1.00 54.42 H new ATOM 0 HG13 ILE A 24 -4.450 -4.396 4.599 1.00 54.42 H new ATOM 0 HG21 ILE A 24 -6.282 -4.431 2.875 1.00 42.14 H new ATOM 0 HG22 ILE A 24 -6.894 -2.911 2.181 1.00 42.14 H new ATOM 0 HG23 ILE A 24 -5.300 -3.533 1.693 1.00 42.14 H new ATOM 0 HD11 ILE A 24 -2.166 -4.182 3.732 1.00 63.35 H new ATOM 0 HD12 ILE A 24 -3.338 -4.202 2.393 1.00 63.35 H new ATOM 0 HD13 ILE A 24 -2.603 -2.665 2.911 1.00 63.35 H new ATOM 47 N MET A 25 -5.716 -0.115 1.195 1.00 22.42 N ATOM 48 CA MET A 25 -6.656 0.471 0.233 1.00 71.13 C ATOM 49 C MET A 25 -6.603 -0.341 -1.067 1.00 31.52 C ATOM 50 O MET A 25 -5.519 -0.763 -1.501 1.00 43.24 O ATOM 51 CB MET A 25 -6.297 1.957 -0.046 1.00 52.22 C ATOM 52 CG MET A 25 -6.426 2.893 1.170 1.00 63.11 C ATOM 53 SD MET A 25 -6.082 4.624 0.778 1.00 14.11 S ATOM 54 CE MET A 25 -7.293 4.954 -0.496 1.00 43.23 C ATOM 0 H MET A 25 -4.771 -0.208 0.822 1.00 22.42 H new ATOM 0 HA MET A 25 -7.664 0.441 0.646 1.00 71.13 H new ATOM 0 HB2 MET A 25 -5.273 2.005 -0.417 1.00 52.22 H new ATOM 0 HB3 MET A 25 -6.942 2.328 -0.842 1.00 52.22 H new ATOM 0 HG2 MET A 25 -7.434 2.813 1.576 1.00 63.11 H new ATOM 0 HG3 MET A 25 -5.741 2.561 1.950 1.00 63.11 H new ATOM 0 HE1 MET A 25 -7.760 5.921 -0.312 1.00 43.23 H new ATOM 0 HE2 MET A 25 -6.803 4.967 -1.469 1.00 43.23 H new ATOM 0 HE3 MET A 25 -8.055 4.175 -0.484 1.00 43.23 H new ATOM 64 N LYS A 26 -7.776 -0.585 -1.669 1.00 52.21 N ATOM 65 CA LYS A 26 -7.884 -1.222 -2.995 1.00 61.31 C ATOM 66 C LYS A 26 -7.560 -0.203 -4.093 1.00 41.03 C ATOM 67 O LYS A 26 -7.695 0.998 -3.877 1.00 31.13 O ATOM 68 CB LYS A 26 -9.299 -1.803 -3.204 1.00 64.41 C ATOM 69 CG LYS A 26 -9.676 -2.926 -2.220 1.00 0.24 C ATOM 70 CD LYS A 26 -11.080 -3.498 -2.497 1.00 3.33 C ATOM 71 CE LYS A 26 -11.487 -4.591 -1.494 1.00 74.12 C ATOM 72 NZ LYS A 26 -12.813 -5.171 -1.817 1.00 13.13 N ATOM 0 H LYS A 26 -8.677 -0.348 -1.253 1.00 52.21 H new ATOM 0 HA LYS A 26 -7.166 -2.040 -3.049 1.00 61.31 H new ATOM 0 HB2 LYS A 26 -10.027 -0.997 -3.113 1.00 64.41 H new ATOM 0 HB3 LYS A 26 -9.374 -2.187 -4.221 1.00 64.41 H new ATOM 0 HG2 LYS A 26 -8.940 -3.727 -2.287 1.00 0.24 H new ATOM 0 HG3 LYS A 26 -9.637 -2.542 -1.201 1.00 0.24 H new ATOM 0 HD2 LYS A 26 -11.810 -2.689 -2.462 1.00 3.33 H new ATOM 0 HD3 LYS A 26 -11.107 -3.909 -3.506 1.00 3.33 H new ATOM 0 HE2 LYS A 26 -10.736 -5.381 -1.493 1.00 74.12 H new ATOM 0 HE3 LYS A 26 -11.510 -4.171 -0.488 1.00 74.12 H new ATOM 0 HZ1 LYS A 26 -13.051 -5.903 -1.118 1.00 13.13 H new ATOM 0 HZ2 LYS A 26 -13.534 -4.422 -1.793 1.00 13.13 H new ATOM 0 HZ3 LYS A 26 -12.785 -5.595 -2.766 1.00 13.13 H new ATOM 86 N LYS A 27 -7.177 -0.705 -5.272 1.00 24.30 N ATOM 87 CA LYS A 27 -6.668 0.123 -6.383 1.00 13.40 C ATOM 88 C LYS A 27 -7.800 1.031 -6.952 1.00 14.13 C ATOM 89 O LYS A 27 -7.595 2.243 -7.124 1.00 64.52 O ATOM 90 CB LYS A 27 -6.036 -0.816 -7.465 1.00 13.25 C ATOM 91 CG LYS A 27 -4.981 -0.164 -8.403 1.00 1.41 C ATOM 92 CD LYS A 27 -5.585 0.789 -9.457 1.00 33.43 C ATOM 93 CE LYS A 27 -4.532 1.441 -10.364 1.00 73.34 C ATOM 94 NZ LYS A 27 -5.165 2.325 -11.370 1.00 64.12 N ATOM 0 H LYS A 27 -7.210 -1.701 -5.488 1.00 24.30 H new ATOM 0 HA LYS A 27 -5.889 0.798 -6.029 1.00 13.40 H new ATOM 0 HB2 LYS A 27 -5.569 -1.660 -6.957 1.00 13.25 H new ATOM 0 HB3 LYS A 27 -6.840 -1.220 -8.081 1.00 13.25 H new ATOM 0 HG2 LYS A 27 -4.263 0.388 -7.797 1.00 1.41 H new ATOM 0 HG3 LYS A 27 -4.428 -0.952 -8.914 1.00 1.41 H new ATOM 0 HD2 LYS A 27 -6.292 0.235 -10.074 1.00 33.43 H new ATOM 0 HD3 LYS A 27 -6.150 1.570 -8.948 1.00 33.43 H new ATOM 0 HE2 LYS A 27 -3.833 2.017 -9.758 1.00 73.34 H new ATOM 0 HE3 LYS A 27 -3.954 0.667 -10.869 1.00 73.34 H new ATOM 0 HZ1 LYS A 27 -4.434 2.712 -12.001 1.00 64.12 H new ATOM 0 HZ2 LYS A 27 -5.851 1.779 -11.929 1.00 64.12 H new ATOM 0 HZ3 LYS A 27 -5.654 3.106 -10.887 1.00 64.12 H new ATOM 108 N THR A 28 -8.992 0.435 -7.189 1.00 64.43 N ATOM 109 CA THR A 28 -10.181 1.151 -7.729 1.00 62.41 C ATOM 110 C THR A 28 -10.605 2.300 -6.789 1.00 74.31 C ATOM 111 O THR A 28 -10.866 3.429 -7.227 1.00 62.23 O ATOM 112 CB THR A 28 -11.389 0.168 -7.919 1.00 13.40 C ATOM 113 OG1 THR A 28 -10.950 -1.008 -8.620 1.00 21.11 O ATOM 114 CG2 THR A 28 -12.559 0.823 -8.691 1.00 25.21 C ATOM 0 H THR A 28 -9.161 -0.555 -7.013 1.00 64.43 H new ATOM 0 HA THR A 28 -9.901 1.565 -8.698 1.00 62.41 H new ATOM 0 HB THR A 28 -11.755 -0.098 -6.927 1.00 13.40 H new ATOM 0 HG1 THR A 28 -11.706 -1.621 -8.736 1.00 21.11 H new ATOM 0 HG21 THR A 28 -13.372 0.105 -8.798 1.00 25.21 H new ATOM 0 HG22 THR A 28 -12.915 1.694 -8.141 1.00 25.21 H new ATOM 0 HG23 THR A 28 -12.216 1.132 -9.678 1.00 25.21 H new ATOM 122 N ASP A 29 -10.644 1.973 -5.486 1.00 44.03 N ATOM 123 CA ASP A 29 -10.970 2.924 -4.409 1.00 51.42 C ATOM 124 C ASP A 29 -9.920 4.045 -4.332 1.00 13.02 C ATOM 125 O ASP A 29 -10.257 5.231 -4.192 1.00 11.42 O ATOM 126 CB ASP A 29 -11.053 2.162 -3.056 1.00 72.11 C ATOM 127 CG ASP A 29 -11.299 3.089 -1.850 1.00 32.21 C ATOM 128 OD1 ASP A 29 -12.426 3.621 -1.724 1.00 64.01 O ATOM 129 OD2 ASP A 29 -10.369 3.302 -1.041 1.00 25.14 O ATOM 0 H ASP A 29 -10.448 1.031 -5.147 1.00 44.03 H new ATOM 0 HA ASP A 29 -11.934 3.385 -4.623 1.00 51.42 H new ATOM 0 HB2 ASP A 29 -11.855 1.426 -3.110 1.00 72.11 H new ATOM 0 HB3 ASP A 29 -10.125 1.611 -2.899 1.00 72.11 H new ATOM 134 N PHE A 30 -8.651 3.634 -4.460 1.00 22.42 N ATOM 135 CA PHE A 30 -7.494 4.526 -4.392 1.00 0.23 C ATOM 136 C PHE A 30 -7.507 5.578 -5.522 1.00 14.33 C ATOM 137 O PHE A 30 -7.148 6.733 -5.278 1.00 21.40 O ATOM 138 CB PHE A 30 -6.184 3.700 -4.434 1.00 22.22 C ATOM 139 CG PHE A 30 -4.946 4.570 -4.450 1.00 55.22 C ATOM 140 CD1 PHE A 30 -4.501 5.173 -3.283 1.00 22.42 C ATOM 141 CD2 PHE A 30 -4.249 4.813 -5.632 1.00 4.15 C ATOM 142 CE1 PHE A 30 -3.409 5.995 -3.298 1.00 3.54 C ATOM 143 CE2 PHE A 30 -3.153 5.635 -5.640 1.00 34.45 C ATOM 144 CZ PHE A 30 -2.734 6.224 -4.469 1.00 33.22 C ATOM 0 H PHE A 30 -8.400 2.658 -4.616 1.00 22.42 H new ATOM 0 HA PHE A 30 -7.548 5.067 -3.447 1.00 0.23 H new ATOM 0 HB2 PHE A 30 -6.148 3.039 -3.568 1.00 22.22 H new ATOM 0 HB3 PHE A 30 -6.188 3.064 -5.320 1.00 22.22 H new ATOM 0 HD1 PHE A 30 -5.022 4.992 -2.354 1.00 22.42 H new ATOM 0 HD2 PHE A 30 -4.576 4.349 -6.551 1.00 4.15 H new ATOM 0 HE1 PHE A 30 -3.077 6.466 -2.384 1.00 3.54 H new ATOM 0 HE2 PHE A 30 -2.620 5.820 -6.561 1.00 34.45 H new ATOM 0 HZ PHE A 30 -1.869 6.870 -4.473 1.00 33.22 H new ATOM 154 N ASP A 31 -7.905 5.161 -6.748 1.00 54.31 N ATOM 155 CA ASP A 31 -7.947 6.052 -7.945 1.00 34.31 C ATOM 156 C ASP A 31 -8.642 7.399 -7.645 1.00 34.13 C ATOM 157 O ASP A 31 -8.115 8.472 -7.974 1.00 21.32 O ATOM 158 CB ASP A 31 -8.651 5.354 -9.145 1.00 64.21 C ATOM 159 CG ASP A 31 -7.764 4.312 -9.851 1.00 44.35 C ATOM 160 OD1 ASP A 31 -6.718 4.707 -10.416 1.00 62.34 O ATOM 161 OD2 ASP A 31 -8.119 3.115 -9.897 1.00 1.42 O ATOM 0 H ASP A 31 -8.205 4.205 -6.940 1.00 54.31 H new ATOM 0 HA ASP A 31 -6.910 6.258 -8.212 1.00 34.31 H new ATOM 0 HB2 ASP A 31 -9.559 4.867 -8.791 1.00 64.21 H new ATOM 0 HB3 ASP A 31 -8.956 6.110 -9.868 1.00 64.21 H new ATOM 166 N LYS A 32 -9.772 7.308 -6.935 1.00 4.23 N ATOM 167 CA LYS A 32 -10.631 8.463 -6.600 1.00 53.33 C ATOM 168 C LYS A 32 -9.892 9.522 -5.750 1.00 74.34 C ATOM 169 O LYS A 32 -10.253 10.707 -5.778 1.00 0.01 O ATOM 170 CB LYS A 32 -11.890 7.955 -5.854 1.00 53.03 C ATOM 171 CG LYS A 32 -12.686 6.894 -6.647 1.00 71.52 C ATOM 172 CD LYS A 32 -13.934 6.365 -5.905 1.00 62.11 C ATOM 173 CE LYS A 32 -14.726 5.332 -6.739 1.00 1.43 C ATOM 174 NZ LYS A 32 -15.922 4.847 -6.010 1.00 33.01 N ATOM 0 H LYS A 32 -10.125 6.423 -6.570 1.00 4.23 H new ATOM 0 HA LYS A 32 -10.916 8.954 -7.531 1.00 53.33 H new ATOM 0 HB2 LYS A 32 -11.589 7.532 -4.896 1.00 53.03 H new ATOM 0 HB3 LYS A 32 -12.542 8.802 -5.638 1.00 53.03 H new ATOM 0 HG2 LYS A 32 -12.996 7.324 -7.599 1.00 71.52 H new ATOM 0 HG3 LYS A 32 -12.028 6.055 -6.875 1.00 71.52 H new ATOM 0 HD2 LYS A 32 -13.627 5.908 -4.964 1.00 62.11 H new ATOM 0 HD3 LYS A 32 -14.586 7.202 -5.655 1.00 62.11 H new ATOM 0 HE2 LYS A 32 -15.032 5.783 -7.683 1.00 1.43 H new ATOM 0 HE3 LYS A 32 -14.081 4.488 -6.983 1.00 1.43 H new ATOM 0 HZ1 LYS A 32 -16.430 4.156 -6.598 1.00 33.01 H new ATOM 0 HZ2 LYS A 32 -15.627 4.395 -5.121 1.00 33.01 H new ATOM 0 HZ3 LYS A 32 -16.549 5.649 -5.799 1.00 33.01 H new ATOM 188 N VAL A 33 -8.852 9.089 -5.010 1.00 13.44 N ATOM 189 CA VAL A 33 -8.039 9.966 -4.136 1.00 74.50 C ATOM 190 C VAL A 33 -6.545 9.903 -4.516 1.00 0.14 C ATOM 191 O VAL A 33 -5.692 10.317 -3.721 1.00 61.04 O ATOM 192 CB VAL A 33 -8.221 9.574 -2.618 1.00 4.01 C ATOM 193 CG1 VAL A 33 -9.648 9.888 -2.116 1.00 12.32 C ATOM 194 CG2 VAL A 33 -7.873 8.081 -2.388 1.00 1.42 C ATOM 0 H VAL A 33 -8.549 8.115 -5.000 1.00 13.44 H new ATOM 0 HA VAL A 33 -8.391 10.987 -4.281 1.00 74.50 H new ATOM 0 HB VAL A 33 -7.527 10.182 -2.037 1.00 4.01 H new ATOM 0 HG11 VAL A 33 -9.735 9.605 -1.067 1.00 12.32 H new ATOM 0 HG12 VAL A 33 -9.844 10.955 -2.221 1.00 12.32 H new ATOM 0 HG13 VAL A 33 -10.373 9.326 -2.705 1.00 12.32 H new ATOM 0 HG21 VAL A 33 -8.006 7.835 -1.335 1.00 1.42 H new ATOM 0 HG22 VAL A 33 -8.531 7.457 -2.993 1.00 1.42 H new ATOM 0 HG23 VAL A 33 -6.837 7.900 -2.675 1.00 1.42 H new ATOM 204 N ALA A 34 -6.235 9.411 -5.740 1.00 11.12 N ATOM 205 CA ALA A 34 -4.833 9.207 -6.188 1.00 3.53 C ATOM 206 C ALA A 34 -4.001 10.513 -6.150 1.00 44.42 C ATOM 207 O ALA A 34 -2.811 10.498 -5.797 1.00 11.25 O ATOM 208 CB ALA A 34 -4.807 8.580 -7.589 1.00 54.25 C ATOM 0 H ALA A 34 -6.934 9.148 -6.434 1.00 11.12 H new ATOM 0 HA ALA A 34 -4.365 8.520 -5.483 1.00 3.53 H new ATOM 0 HB1 ALA A 34 -3.774 8.436 -7.904 1.00 54.25 H new ATOM 0 HB2 ALA A 34 -5.317 7.617 -7.566 1.00 54.25 H new ATOM 0 HB3 ALA A 34 -5.312 9.241 -8.293 1.00 54.25 H new ATOM 214 N SER A 35 -4.667 11.639 -6.471 1.00 12.25 N ATOM 215 CA SER A 35 -4.049 12.985 -6.490 1.00 3.45 C ATOM 216 C SER A 35 -3.518 13.413 -5.103 1.00 61.31 C ATOM 217 O SER A 35 -2.668 14.305 -5.010 1.00 22.21 O ATOM 218 CB SER A 35 -5.073 14.016 -7.011 1.00 3.14 C ATOM 219 OG SER A 35 -5.594 13.636 -8.274 1.00 53.44 O ATOM 0 H SER A 35 -5.655 11.644 -6.726 1.00 12.25 H new ATOM 0 HA SER A 35 -3.189 12.943 -7.158 1.00 3.45 H new ATOM 0 HB2 SER A 35 -5.888 14.115 -6.294 1.00 3.14 H new ATOM 0 HB3 SER A 35 -4.598 14.994 -7.091 1.00 3.14 H new ATOM 0 HG SER A 35 -6.241 14.307 -8.577 1.00 53.44 H new ATOM 225 N GLU A 36 -4.014 12.756 -4.036 1.00 40.20 N ATOM 226 CA GLU A 36 -3.621 13.059 -2.653 1.00 45.12 C ATOM 227 C GLU A 36 -2.362 12.290 -2.223 1.00 11.32 C ATOM 228 O GLU A 36 -1.924 12.437 -1.078 1.00 11.10 O ATOM 229 CB GLU A 36 -4.789 12.719 -1.686 1.00 51.33 C ATOM 230 CG GLU A 36 -6.063 13.545 -1.910 1.00 53.21 C ATOM 231 CD GLU A 36 -5.811 15.060 -1.818 1.00 20.31 C ATOM 232 OE1 GLU A 36 -5.679 15.584 -0.696 1.00 10.32 O ATOM 233 OE2 GLU A 36 -5.729 15.731 -2.876 1.00 32.32 O ATOM 0 H GLU A 36 -4.697 12.002 -4.112 1.00 40.20 H new ATOM 0 HA GLU A 36 -3.391 14.124 -2.608 1.00 45.12 H new ATOM 0 HB2 GLU A 36 -5.034 11.662 -1.790 1.00 51.33 H new ATOM 0 HB3 GLU A 36 -4.450 12.868 -0.661 1.00 51.33 H new ATOM 0 HG2 GLU A 36 -6.477 13.308 -2.890 1.00 53.21 H new ATOM 0 HG3 GLU A 36 -6.811 13.259 -1.171 1.00 53.21 H new ATOM 240 N TYR A 37 -1.788 11.440 -3.116 1.00 4.24 N ATOM 241 CA TYR A 37 -0.666 10.547 -2.740 1.00 23.11 C ATOM 242 C TYR A 37 0.456 10.530 -3.806 1.00 41.21 C ATOM 243 O TYR A 37 0.189 10.715 -5.005 1.00 3.44 O ATOM 244 CB TYR A 37 -1.218 9.118 -2.484 1.00 14.42 C ATOM 245 CG TYR A 37 -2.310 9.068 -1.398 1.00 31.40 C ATOM 246 CD1 TYR A 37 -1.984 9.192 -0.052 1.00 40.30 C ATOM 247 CD2 TYR A 37 -3.667 8.955 -1.723 1.00 14.24 C ATOM 248 CE1 TYR A 37 -2.956 9.198 0.927 1.00 43.51 C ATOM 249 CE2 TYR A 37 -4.640 8.952 -0.746 1.00 1.21 C ATOM 250 CZ TYR A 37 -4.284 9.075 0.575 1.00 14.25 C ATOM 251 OH TYR A 37 -5.257 9.073 1.554 1.00 74.42 O ATOM 0 H TYR A 37 -2.082 11.357 -4.089 1.00 4.24 H new ATOM 0 HA TYR A 37 -0.211 10.933 -1.827 1.00 23.11 H new ATOM 0 HB2 TYR A 37 -1.624 8.721 -3.415 1.00 14.42 H new ATOM 0 HB3 TYR A 37 -0.395 8.466 -2.191 1.00 14.42 H new ATOM 0 HD1 TYR A 37 -0.947 9.286 0.233 1.00 40.30 H new ATOM 0 HD2 TYR A 37 -3.958 8.868 -2.760 1.00 14.24 H new ATOM 0 HE1 TYR A 37 -2.678 9.299 1.966 1.00 43.51 H new ATOM 0 HE2 TYR A 37 -5.680 8.853 -1.019 1.00 1.21 H new ATOM 0 HH TYR A 37 -6.139 8.979 1.138 1.00 74.42 H new ATOM 261 N THR A 38 1.709 10.302 -3.343 1.00 13.41 N ATOM 262 CA THR A 38 2.913 10.190 -4.193 1.00 1.12 C ATOM 263 C THR A 38 3.455 8.759 -4.147 1.00 53.03 C ATOM 264 O THR A 38 3.691 8.210 -3.062 1.00 64.44 O ATOM 265 CB THR A 38 4.055 11.165 -3.737 1.00 34.51 C ATOM 266 OG1 THR A 38 4.228 11.083 -2.312 1.00 32.51 O ATOM 267 CG2 THR A 38 3.790 12.623 -4.136 1.00 32.13 C ATOM 0 H THR A 38 1.912 10.189 -2.350 1.00 13.41 H new ATOM 0 HA THR A 38 2.611 10.459 -5.205 1.00 1.12 H new ATOM 0 HB THR A 38 4.963 10.849 -4.250 1.00 34.51 H new ATOM 0 HG1 THR A 38 4.185 10.145 -2.031 1.00 32.51 H new ATOM 0 HG21 THR A 38 4.614 13.249 -3.794 1.00 32.13 H new ATOM 0 HG22 THR A 38 3.707 12.694 -5.220 1.00 32.13 H new ATOM 0 HG23 THR A 38 2.861 12.963 -3.678 1.00 32.13 H new ATOM 275 N LYS A 39 3.659 8.172 -5.335 1.00 62.31 N ATOM 276 CA LYS A 39 4.161 6.804 -5.498 1.00 32.23 C ATOM 277 C LYS A 39 5.656 6.790 -5.159 1.00 71.14 C ATOM 278 O LYS A 39 6.482 7.279 -5.944 1.00 62.13 O ATOM 279 CB LYS A 39 3.880 6.353 -6.965 1.00 15.42 C ATOM 280 CG LYS A 39 3.898 4.830 -7.241 1.00 24.11 C ATOM 281 CD LYS A 39 5.309 4.216 -7.334 1.00 41.20 C ATOM 282 CE LYS A 39 5.285 2.746 -7.769 1.00 52.43 C ATOM 283 NZ LYS A 39 4.421 2.521 -8.961 1.00 12.43 N ATOM 0 H LYS A 39 3.477 8.643 -6.221 1.00 62.31 H new ATOM 0 HA LYS A 39 3.662 6.104 -4.828 1.00 32.23 H new ATOM 0 HB2 LYS A 39 2.904 6.740 -7.259 1.00 15.42 H new ATOM 0 HB3 LYS A 39 4.619 6.825 -7.613 1.00 15.42 H new ATOM 0 HG2 LYS A 39 3.346 4.323 -6.449 1.00 24.11 H new ATOM 0 HG3 LYS A 39 3.368 4.636 -8.174 1.00 24.11 H new ATOM 0 HD2 LYS A 39 5.905 4.791 -8.042 1.00 41.20 H new ATOM 0 HD3 LYS A 39 5.801 4.296 -6.365 1.00 41.20 H new ATOM 0 HE2 LYS A 39 6.301 2.419 -7.993 1.00 52.43 H new ATOM 0 HE3 LYS A 39 4.927 2.131 -6.943 1.00 52.43 H new ATOM 0 HZ1 LYS A 39 4.687 1.626 -9.419 1.00 12.43 H new ATOM 0 HZ2 LYS A 39 3.425 2.476 -8.664 1.00 12.43 H new ATOM 0 HZ3 LYS A 39 4.547 3.304 -9.634 1.00 12.43 H new ATOM 297 N ILE A 40 6.000 6.238 -3.983 1.00 23.33 N ATOM 298 CA ILE A 40 7.385 6.269 -3.472 1.00 72.44 C ATOM 299 C ILE A 40 8.116 4.951 -3.783 1.00 63.34 C ATOM 300 O ILE A 40 9.340 4.871 -3.651 1.00 1.11 O ATOM 301 CB ILE A 40 7.438 6.599 -1.927 1.00 2.45 C ATOM 302 CG1 ILE A 40 6.709 5.510 -1.075 1.00 45.45 C ATOM 303 CG2 ILE A 40 6.842 8.004 -1.652 1.00 11.13 C ATOM 304 CD1 ILE A 40 6.767 5.719 0.433 1.00 1.10 C ATOM 0 H ILE A 40 5.339 5.764 -3.367 1.00 23.33 H new ATOM 0 HA ILE A 40 7.903 7.076 -3.990 1.00 72.44 H new ATOM 0 HB ILE A 40 8.485 6.598 -1.625 1.00 2.45 H new ATOM 0 HG12 ILE A 40 5.663 5.473 -1.380 1.00 45.45 H new ATOM 0 HG13 ILE A 40 7.144 4.538 -1.308 1.00 45.45 H new ATOM 0 HG21 ILE A 40 6.886 8.215 -0.584 1.00 11.13 H new ATOM 0 HG22 ILE A 40 7.416 8.755 -2.195 1.00 11.13 H new ATOM 0 HG23 ILE A 40 5.804 8.030 -1.984 1.00 11.13 H new ATOM 0 HD11 ILE A 40 6.233 4.911 0.933 1.00 1.10 H new ATOM 0 HD12 ILE A 40 7.807 5.723 0.760 1.00 1.10 H new ATOM 0 HD13 ILE A 40 6.303 6.672 0.686 1.00 1.10 H new ATOM 316 N GLY A 41 7.355 3.926 -4.213 1.00 4.35 N ATOM 317 CA GLY A 41 7.922 2.629 -4.579 1.00 2.34 C ATOM 318 C GLY A 41 6.871 1.537 -4.644 1.00 24.25 C ATOM 319 O GLY A 41 5.663 1.810 -4.547 1.00 2.11 O ATOM 0 H GLY A 41 6.341 3.980 -4.313 1.00 4.35 H new ATOM 0 HA2 GLY A 41 8.417 2.712 -5.547 1.00 2.34 H new ATOM 0 HA3 GLY A 41 8.686 2.351 -3.853 1.00 2.34 H new ATOM 323 N THR A 42 7.329 0.305 -4.867 1.00 53.30 N ATOM 324 CA THR A 42 6.493 -0.901 -4.785 1.00 41.21 C ATOM 325 C THR A 42 7.224 -1.940 -3.919 1.00 61.10 C ATOM 326 O THR A 42 8.427 -2.176 -4.113 1.00 42.24 O ATOM 327 CB THR A 42 6.209 -1.493 -6.210 1.00 74.04 C ATOM 328 OG1 THR A 42 5.803 -0.432 -7.081 1.00 23.02 O ATOM 329 CG2 THR A 42 5.103 -2.580 -6.189 1.00 24.24 C ATOM 0 H THR A 42 8.300 0.110 -5.112 1.00 53.30 H new ATOM 0 HA THR A 42 5.533 -0.642 -4.339 1.00 41.21 H new ATOM 0 HB THR A 42 7.127 -1.963 -6.563 1.00 74.04 H new ATOM 0 HG1 THR A 42 4.832 -0.316 -7.024 1.00 23.02 H new ATOM 0 HG21 THR A 42 4.945 -2.957 -7.199 1.00 24.24 H new ATOM 0 HG22 THR A 42 5.411 -3.400 -5.540 1.00 24.24 H new ATOM 0 HG23 THR A 42 4.175 -2.148 -5.813 1.00 24.24 H new ATOM 337 N ILE A 43 6.505 -2.542 -2.956 1.00 43.31 N ATOM 338 CA ILE A 43 7.025 -3.635 -2.114 1.00 74.03 C ATOM 339 C ILE A 43 6.247 -4.923 -2.385 1.00 73.04 C ATOM 340 O ILE A 43 5.240 -4.925 -3.108 1.00 22.24 O ATOM 341 CB ILE A 43 6.958 -3.301 -0.567 1.00 60.12 C ATOM 342 CG1 ILE A 43 5.477 -3.109 -0.097 1.00 71.40 C ATOM 343 CG2 ILE A 43 7.824 -2.060 -0.227 1.00 25.51 C ATOM 344 CD1 ILE A 43 5.295 -2.927 1.402 1.00 54.10 C ATOM 0 H ILE A 43 5.543 -2.283 -2.738 1.00 43.31 H new ATOM 0 HA ILE A 43 8.075 -3.762 -2.379 1.00 74.03 H new ATOM 0 HB ILE A 43 7.370 -4.150 -0.022 1.00 60.12 H new ATOM 0 HG12 ILE A 43 5.060 -2.240 -0.606 1.00 71.40 H new ATOM 0 HG13 ILE A 43 4.896 -3.974 -0.416 1.00 71.40 H new ATOM 0 HG21 ILE A 43 7.760 -1.853 0.841 1.00 25.51 H new ATOM 0 HG22 ILE A 43 8.862 -2.255 -0.497 1.00 25.51 H new ATOM 0 HG23 ILE A 43 7.460 -1.198 -0.786 1.00 25.51 H new ATOM 0 HD11 ILE A 43 4.236 -2.802 1.627 1.00 54.10 H new ATOM 0 HD12 ILE A 43 5.676 -3.805 1.924 1.00 54.10 H new ATOM 0 HD13 ILE A 43 5.843 -2.044 1.730 1.00 54.10 H new ATOM 356 N SER A 44 6.744 -6.015 -1.810 1.00 24.44 N ATOM 357 CA SER A 44 6.072 -7.311 -1.803 1.00 71.23 C ATOM 358 C SER A 44 6.277 -7.983 -0.437 1.00 13.35 C ATOM 359 O SER A 44 7.155 -7.583 0.349 1.00 11.14 O ATOM 360 CB SER A 44 6.594 -8.204 -2.950 1.00 51.11 C ATOM 361 OG SER A 44 6.366 -7.607 -4.223 1.00 54.15 O ATOM 0 H SER A 44 7.642 -6.024 -1.327 1.00 24.44 H new ATOM 0 HA SER A 44 5.004 -7.164 -1.966 1.00 71.23 H new ATOM 0 HB2 SER A 44 7.661 -8.382 -2.817 1.00 51.11 H new ATOM 0 HB3 SER A 44 6.101 -9.175 -2.909 1.00 51.11 H new ATOM 0 HG SER A 44 6.709 -8.196 -4.927 1.00 54.15 H new ATOM 367 N THR A 45 5.460 -9.002 -0.175 1.00 72.30 N ATOM 368 CA THR A 45 5.490 -9.773 1.067 1.00 15.44 C ATOM 369 C THR A 45 6.654 -10.772 1.087 1.00 12.42 C ATOM 370 O THR A 45 7.301 -11.021 0.061 1.00 45.12 O ATOM 371 CB THR A 45 4.163 -10.556 1.245 1.00 43.22 C ATOM 372 OG1 THR A 45 3.892 -11.308 0.054 1.00 14.33 O ATOM 373 CG2 THR A 45 2.986 -9.631 1.552 1.00 22.05 C ATOM 0 H THR A 45 4.747 -9.320 -0.831 1.00 72.30 H new ATOM 0 HA THR A 45 5.623 -9.062 1.883 1.00 15.44 H new ATOM 0 HB THR A 45 4.282 -11.226 2.096 1.00 43.22 H new ATOM 0 HG1 THR A 45 2.970 -11.639 0.079 1.00 14.33 H new ATOM 0 HG21 THR A 45 2.078 -10.223 1.668 1.00 22.05 H new ATOM 0 HG22 THR A 45 3.184 -9.085 2.474 1.00 22.05 H new ATOM 0 HG23 THR A 45 2.855 -8.924 0.733 1.00 22.05 H new ATOM 381 N THR A 46 6.916 -11.336 2.270 1.00 52.31 N ATOM 382 CA THR A 46 7.851 -12.448 2.420 1.00 55.22 C ATOM 383 C THR A 46 7.120 -13.769 2.075 1.00 72.00 C ATOM 384 O THR A 46 6.527 -14.418 2.946 1.00 24.25 O ATOM 385 CB THR A 46 8.446 -12.469 3.865 1.00 24.51 C ATOM 386 OG1 THR A 46 8.923 -11.146 4.195 1.00 20.02 O ATOM 387 CG2 THR A 46 9.604 -13.482 4.009 1.00 10.15 C ATOM 0 H THR A 46 6.487 -11.034 3.145 1.00 52.31 H new ATOM 0 HA THR A 46 8.689 -12.328 1.734 1.00 55.22 H new ATOM 0 HB THR A 46 7.655 -12.779 4.548 1.00 24.51 H new ATOM 0 HG1 THR A 46 9.297 -11.149 5.101 1.00 20.02 H new ATOM 0 HG21 THR A 46 9.983 -13.458 5.031 1.00 10.15 H new ATOM 0 HG22 THR A 46 9.242 -14.484 3.779 1.00 10.15 H new ATOM 0 HG23 THR A 46 10.405 -13.219 3.319 1.00 10.15 H new ATOM 395 N GLY A 47 7.086 -14.089 0.763 1.00 62.44 N ATOM 396 CA GLY A 47 6.491 -15.340 0.262 1.00 62.52 C ATOM 397 C GLY A 47 4.996 -15.233 -0.048 1.00 11.42 C ATOM 398 O GLY A 47 4.384 -14.172 0.131 1.00 64.42 O ATOM 0 H GLY A 47 7.467 -13.491 0.030 1.00 62.44 H new ATOM 0 HA2 GLY A 47 7.019 -15.646 -0.641 1.00 62.52 H new ATOM 0 HA3 GLY A 47 6.644 -16.126 1.002 1.00 62.52 H new ATOM 402 N GLU A 48 4.412 -16.353 -0.516 1.00 20.33 N ATOM 403 CA GLU A 48 2.980 -16.442 -0.858 1.00 21.24 C ATOM 404 C GLU A 48 2.178 -16.718 0.409 1.00 25.53 C ATOM 405 O GLU A 48 2.092 -17.866 0.872 1.00 62.21 O ATOM 406 CB GLU A 48 2.704 -17.550 -1.918 1.00 53.24 C ATOM 407 CG GLU A 48 3.310 -17.321 -3.321 1.00 0.30 C ATOM 408 CD GLU A 48 4.839 -17.167 -3.320 1.00 2.32 C ATOM 409 OE1 GLU A 48 5.537 -18.142 -2.976 1.00 35.22 O ATOM 410 OE2 GLU A 48 5.348 -16.069 -3.639 1.00 21.30 O ATOM 0 H GLU A 48 4.922 -17.223 -0.668 1.00 20.33 H new ATOM 0 HA GLU A 48 2.674 -15.491 -1.295 1.00 21.24 H new ATOM 0 HB2 GLU A 48 3.084 -18.496 -1.531 1.00 53.24 H new ATOM 0 HB3 GLU A 48 1.625 -17.660 -2.025 1.00 53.24 H new ATOM 0 HG2 GLU A 48 3.039 -18.158 -3.964 1.00 0.30 H new ATOM 0 HG3 GLU A 48 2.865 -16.427 -3.757 1.00 0.30 H new ATOM 417 N MET A 49 1.635 -15.645 0.998 1.00 32.34 N ATOM 418 CA MET A 49 0.832 -15.715 2.223 1.00 21.02 C ATOM 419 C MET A 49 -0.635 -15.411 1.913 1.00 11.42 C ATOM 420 O MET A 49 -0.943 -14.693 0.947 1.00 4.15 O ATOM 421 CB MET A 49 1.393 -14.744 3.296 1.00 42.21 C ATOM 422 CG MET A 49 2.845 -15.041 3.714 1.00 1.33 C ATOM 423 SD MET A 49 3.407 -14.047 5.116 1.00 74.02 S ATOM 424 CE MET A 49 3.281 -12.387 4.461 1.00 20.45 C ATOM 0 H MET A 49 1.742 -14.698 0.635 1.00 32.34 H new ATOM 0 HA MET A 49 0.890 -16.726 2.625 1.00 21.02 H new ATOM 0 HB2 MET A 49 1.338 -13.725 2.913 1.00 42.21 H new ATOM 0 HB3 MET A 49 0.756 -14.788 4.179 1.00 42.21 H new ATOM 0 HG2 MET A 49 2.933 -16.097 3.969 1.00 1.33 H new ATOM 0 HG3 MET A 49 3.504 -14.862 2.864 1.00 1.33 H new ATOM 0 HE1 MET A 49 4.256 -11.902 4.509 1.00 20.45 H new ATOM 0 HE2 MET A 49 2.948 -12.429 3.424 1.00 20.45 H new ATOM 0 HE3 MET A 49 2.562 -11.817 5.050 1.00 20.45 H new ATOM 434 N SER A 50 -1.526 -15.978 2.743 1.00 24.21 N ATOM 435 CA SER A 50 -2.985 -15.786 2.651 1.00 23.30 C ATOM 436 C SER A 50 -3.353 -14.288 2.849 1.00 31.22 C ATOM 437 O SER A 50 -2.623 -13.587 3.559 1.00 45.30 O ATOM 438 CB SER A 50 -3.660 -16.707 3.695 1.00 63.54 C ATOM 439 OG SER A 50 -3.082 -16.549 4.980 1.00 12.45 O ATOM 0 H SER A 50 -1.250 -16.592 3.509 1.00 24.21 H new ATOM 0 HA SER A 50 -3.348 -16.059 1.660 1.00 23.30 H new ATOM 0 HB2 SER A 50 -4.726 -16.483 3.744 1.00 63.54 H new ATOM 0 HB3 SER A 50 -3.567 -17.746 3.379 1.00 63.54 H new ATOM 0 HG SER A 50 -3.207 -15.626 5.284 1.00 12.45 H new ATOM 445 N PRO A 51 -4.497 -13.783 2.246 1.00 11.23 N ATOM 446 CA PRO A 51 -4.755 -12.321 2.046 1.00 21.14 C ATOM 447 C PRO A 51 -4.580 -11.451 3.312 1.00 12.31 C ATOM 448 O PRO A 51 -4.110 -10.320 3.211 1.00 53.45 O ATOM 449 CB PRO A 51 -6.227 -12.268 1.513 1.00 43.23 C ATOM 450 CG PRO A 51 -6.801 -13.611 1.835 1.00 55.14 C ATOM 451 CD PRO A 51 -5.643 -14.579 1.725 1.00 3.12 C ATOM 0 HA PRO A 51 -4.022 -11.896 1.360 1.00 21.14 H new ATOM 0 HB2 PRO A 51 -6.793 -11.471 1.994 1.00 43.23 H new ATOM 0 HB3 PRO A 51 -6.252 -12.074 0.441 1.00 43.23 H new ATOM 0 HG2 PRO A 51 -7.231 -13.625 2.837 1.00 55.14 H new ATOM 0 HG3 PRO A 51 -7.600 -13.873 1.142 1.00 55.14 H new ATOM 0 HD2 PRO A 51 -5.811 -15.480 2.315 1.00 3.12 H new ATOM 0 HD3 PRO A 51 -5.479 -14.898 0.696 1.00 3.12 H new ATOM 459 N LEU A 52 -4.933 -11.991 4.489 1.00 11.32 N ATOM 460 CA LEU A 52 -4.818 -11.253 5.767 1.00 11.13 C ATOM 461 C LEU A 52 -3.333 -11.081 6.153 1.00 23.01 C ATOM 462 O LEU A 52 -2.897 -9.979 6.494 1.00 3.21 O ATOM 463 CB LEU A 52 -5.613 -11.999 6.884 1.00 32.34 C ATOM 464 CG LEU A 52 -5.899 -11.236 8.233 1.00 64.33 C ATOM 465 CD1 LEU A 52 -4.651 -11.105 9.133 1.00 45.12 C ATOM 466 CD2 LEU A 52 -6.518 -9.849 7.963 1.00 62.30 C ATOM 0 H LEU A 52 -5.301 -12.937 4.587 1.00 11.32 H new ATOM 0 HA LEU A 52 -5.249 -10.259 5.649 1.00 11.13 H new ATOM 0 HB2 LEU A 52 -6.572 -12.302 6.464 1.00 32.34 H new ATOM 0 HB3 LEU A 52 -5.068 -12.911 7.127 1.00 32.34 H new ATOM 0 HG LEU A 52 -6.617 -11.846 8.780 1.00 64.33 H new ATOM 0 HD11 LEU A 52 -4.915 -10.570 10.045 1.00 45.12 H new ATOM 0 HD12 LEU A 52 -4.281 -12.098 9.388 1.00 45.12 H new ATOM 0 HD13 LEU A 52 -3.875 -10.554 8.601 1.00 45.12 H new ATOM 0 HD21 LEU A 52 -6.706 -9.344 8.910 1.00 62.30 H new ATOM 0 HD22 LEU A 52 -5.829 -9.253 7.364 1.00 62.30 H new ATOM 0 HD23 LEU A 52 -7.458 -9.969 7.423 1.00 62.30 H new ATOM 478 N ASP A 53 -2.580 -12.188 6.090 1.00 60.53 N ATOM 479 CA ASP A 53 -1.130 -12.220 6.419 1.00 73.33 C ATOM 480 C ASP A 53 -0.342 -11.311 5.473 1.00 64.34 C ATOM 481 O ASP A 53 0.603 -10.630 5.888 1.00 25.13 O ATOM 482 CB ASP A 53 -0.583 -13.669 6.337 1.00 72.11 C ATOM 483 CG ASP A 53 -1.273 -14.632 7.317 1.00 75.24 C ATOM 484 OD1 ASP A 53 -2.511 -14.808 7.219 1.00 60.42 O ATOM 485 OD2 ASP A 53 -0.593 -15.226 8.182 1.00 43.24 O ATOM 0 H ASP A 53 -2.952 -13.095 5.809 1.00 60.53 H new ATOM 0 HA ASP A 53 -1.007 -11.856 7.439 1.00 73.33 H new ATOM 0 HB2 ASP A 53 -0.710 -14.042 5.321 1.00 72.11 H new ATOM 0 HB3 ASP A 53 0.488 -13.659 6.541 1.00 72.11 H new ATOM 490 N ALA A 54 -0.770 -11.323 4.202 1.00 62.04 N ATOM 491 CA ALA A 54 -0.233 -10.458 3.153 1.00 51.30 C ATOM 492 C ALA A 54 -0.448 -8.977 3.524 1.00 3.21 C ATOM 493 O ALA A 54 0.505 -8.205 3.580 1.00 21.44 O ATOM 494 CB ALA A 54 -0.890 -10.803 1.802 1.00 30.04 C ATOM 0 H ALA A 54 -1.509 -11.944 3.874 1.00 62.04 H new ATOM 0 HA ALA A 54 0.840 -10.625 3.059 1.00 51.30 H new ATOM 0 HB1 ALA A 54 -0.485 -10.155 1.025 1.00 30.04 H new ATOM 0 HB2 ALA A 54 -0.682 -11.843 1.552 1.00 30.04 H new ATOM 0 HB3 ALA A 54 -1.968 -10.655 1.873 1.00 30.04 H new ATOM 500 N ARG A 55 -1.711 -8.631 3.846 1.00 61.12 N ATOM 501 CA ARG A 55 -2.121 -7.260 4.237 1.00 72.21 C ATOM 502 C ARG A 55 -1.289 -6.724 5.420 1.00 61.31 C ATOM 503 O ARG A 55 -0.815 -5.588 5.382 1.00 34.21 O ATOM 504 CB ARG A 55 -3.620 -7.240 4.629 1.00 65.35 C ATOM 505 CG ARG A 55 -4.628 -7.256 3.462 1.00 61.13 C ATOM 506 CD ARG A 55 -6.080 -7.313 3.979 1.00 72.41 C ATOM 507 NE ARG A 55 -6.344 -6.249 4.974 1.00 31.11 N ATOM 508 CZ ARG A 55 -7.463 -6.109 5.693 1.00 2.43 C ATOM 509 NH1 ARG A 55 -8.472 -6.946 5.561 1.00 51.21 N ATOM 510 NH2 ARG A 55 -7.557 -5.138 6.584 1.00 25.25 N ATOM 0 H ARG A 55 -2.483 -9.297 3.843 1.00 61.12 H new ATOM 0 HA ARG A 55 -1.948 -6.617 3.374 1.00 72.21 H new ATOM 0 HB2 ARG A 55 -3.819 -8.102 5.266 1.00 65.35 H new ATOM 0 HB3 ARG A 55 -3.805 -6.350 5.230 1.00 65.35 H new ATOM 0 HG2 ARG A 55 -4.492 -6.365 2.849 1.00 61.13 H new ATOM 0 HG3 ARG A 55 -4.433 -8.116 2.822 1.00 61.13 H new ATOM 0 HD2 ARG A 55 -6.770 -7.209 3.142 1.00 72.41 H new ATOM 0 HD3 ARG A 55 -6.269 -8.288 4.428 1.00 72.41 H new ATOM 0 HE ARG A 55 -5.606 -5.561 5.125 1.00 31.11 H new ATOM 0 HH11 ARG A 55 -8.409 -7.720 4.900 1.00 51.21 H new ATOM 0 HH12 ARG A 55 -9.316 -6.820 6.120 1.00 51.21 H new ATOM 0 HH21 ARG A 55 -6.777 -4.496 6.723 1.00 25.25 H new ATOM 0 HH22 ARG A 55 -8.410 -5.030 7.133 1.00 25.25 H new ATOM 524 N GLU A 56 -1.128 -7.574 6.450 1.00 71.04 N ATOM 525 CA GLU A 56 -0.432 -7.231 7.714 1.00 63.02 C ATOM 526 C GLU A 56 1.038 -6.878 7.422 1.00 2.31 C ATOM 527 O GLU A 56 1.540 -5.829 7.851 1.00 3.41 O ATOM 528 CB GLU A 56 -0.555 -8.442 8.702 1.00 75.10 C ATOM 529 CG GLU A 56 -0.211 -8.165 10.191 1.00 32.05 C ATOM 530 CD GLU A 56 1.292 -7.976 10.496 1.00 74.43 C ATOM 531 OE1 GLU A 56 2.093 -8.878 10.164 1.00 62.14 O ATOM 532 OE2 GLU A 56 1.672 -6.945 11.102 1.00 13.43 O ATOM 0 H GLU A 56 -1.480 -8.531 6.433 1.00 71.04 H new ATOM 0 HA GLU A 56 -0.891 -6.358 8.178 1.00 63.02 H new ATOM 0 HB2 GLU A 56 -1.577 -8.819 8.653 1.00 75.10 H new ATOM 0 HB3 GLU A 56 0.096 -9.240 8.345 1.00 75.10 H new ATOM 0 HG2 GLU A 56 -0.745 -7.270 10.510 1.00 32.05 H new ATOM 0 HG3 GLU A 56 -0.586 -8.992 10.794 1.00 32.05 H new ATOM 539 N ASP A 57 1.681 -7.760 6.645 1.00 22.33 N ATOM 540 CA ASP A 57 3.097 -7.637 6.259 1.00 13.12 C ATOM 541 C ASP A 57 3.335 -6.373 5.413 1.00 61.24 C ATOM 542 O ASP A 57 4.322 -5.660 5.615 1.00 52.32 O ATOM 543 CB ASP A 57 3.518 -8.896 5.468 1.00 50.10 C ATOM 544 CG ASP A 57 5.018 -8.949 5.122 1.00 24.23 C ATOM 545 OD1 ASP A 57 5.425 -8.419 4.074 1.00 21.13 O ATOM 546 OD2 ASP A 57 5.805 -9.515 5.907 1.00 3.33 O ATOM 0 H ASP A 57 1.229 -8.590 6.261 1.00 22.33 H new ATOM 0 HA ASP A 57 3.701 -7.550 7.162 1.00 13.12 H new ATOM 0 HB2 ASP A 57 3.259 -9.781 6.049 1.00 50.10 H new ATOM 0 HB3 ASP A 57 2.941 -8.941 4.544 1.00 50.10 H new ATOM 551 N LEU A 58 2.397 -6.118 4.481 1.00 74.42 N ATOM 552 CA LEU A 58 2.446 -4.954 3.577 1.00 62.53 C ATOM 553 C LEU A 58 2.315 -3.630 4.353 1.00 34.41 C ATOM 554 O LEU A 58 3.080 -2.697 4.093 1.00 3.10 O ATOM 555 CB LEU A 58 1.356 -5.071 2.484 1.00 62.31 C ATOM 556 CG LEU A 58 1.574 -6.212 1.439 1.00 40.24 C ATOM 557 CD1 LEU A 58 0.383 -6.335 0.468 1.00 25.43 C ATOM 558 CD2 LEU A 58 2.906 -6.032 0.669 1.00 32.34 C ATOM 0 H LEU A 58 1.583 -6.715 4.334 1.00 74.42 H new ATOM 0 HA LEU A 58 3.421 -4.948 3.090 1.00 62.53 H new ATOM 0 HB2 LEU A 58 0.393 -5.226 2.970 1.00 62.31 H new ATOM 0 HB3 LEU A 58 1.295 -4.121 1.952 1.00 62.31 H new ATOM 0 HG LEU A 58 1.638 -7.146 1.997 1.00 40.24 H new ATOM 0 HD11 LEU A 58 0.574 -7.139 -0.242 1.00 25.43 H new ATOM 0 HD12 LEU A 58 -0.524 -6.556 1.031 1.00 25.43 H new ATOM 0 HD13 LEU A 58 0.255 -5.397 -0.072 1.00 25.43 H new ATOM 0 HD21 LEU A 58 3.024 -6.844 -0.049 1.00 32.34 H new ATOM 0 HD22 LEU A 58 2.895 -5.079 0.140 1.00 32.34 H new ATOM 0 HD23 LEU A 58 3.738 -6.047 1.373 1.00 32.34 H new ATOM 570 N ILE A 59 1.358 -3.566 5.312 1.00 62.32 N ATOM 571 CA ILE A 59 1.211 -2.396 6.219 1.00 12.10 C ATOM 572 C ILE A 59 2.512 -2.160 6.993 1.00 64.42 C ATOM 573 O ILE A 59 3.032 -1.051 6.998 1.00 30.21 O ATOM 574 CB ILE A 59 0.035 -2.558 7.261 1.00 41.30 C ATOM 575 CG1 ILE A 59 -1.337 -2.642 6.544 1.00 74.15 C ATOM 576 CG2 ILE A 59 0.027 -1.406 8.317 1.00 1.44 C ATOM 577 CD1 ILE A 59 -2.515 -2.886 7.476 1.00 0.14 C ATOM 0 H ILE A 59 0.678 -4.308 5.478 1.00 62.32 H new ATOM 0 HA ILE A 59 0.976 -1.547 5.577 1.00 12.10 H new ATOM 0 HB ILE A 59 0.208 -3.494 7.793 1.00 41.30 H new ATOM 0 HG12 ILE A 59 -1.506 -1.714 5.998 1.00 74.15 H new ATOM 0 HG13 ILE A 59 -1.300 -3.443 5.806 1.00 74.15 H new ATOM 0 HG21 ILE A 59 -0.798 -1.557 9.014 1.00 1.44 H new ATOM 0 HG22 ILE A 59 0.970 -1.408 8.864 1.00 1.44 H new ATOM 0 HG23 ILE A 59 -0.097 -0.449 7.810 1.00 1.44 H new ATOM 0 HD11 ILE A 59 -3.436 -2.931 6.894 1.00 0.14 H new ATOM 0 HD12 ILE A 59 -2.372 -3.829 8.004 1.00 0.14 H new ATOM 0 HD13 ILE A 59 -2.582 -2.073 8.199 1.00 0.14 H new ATOM 589 N LYS A 60 3.027 -3.239 7.610 1.00 41.25 N ATOM 590 CA LYS A 60 4.196 -3.175 8.502 1.00 43.11 C ATOM 591 C LYS A 60 5.428 -2.618 7.758 1.00 11.23 C ATOM 592 O LYS A 60 5.986 -1.599 8.166 1.00 44.44 O ATOM 593 CB LYS A 60 4.494 -4.581 9.078 1.00 1.24 C ATOM 594 CG LYS A 60 5.637 -4.623 10.111 1.00 63.32 C ATOM 595 CD LYS A 60 5.878 -6.038 10.668 1.00 63.31 C ATOM 596 CE LYS A 60 7.000 -6.076 11.717 1.00 54.13 C ATOM 597 NZ LYS A 60 7.267 -7.453 12.194 1.00 42.34 N ATOM 0 H LYS A 60 2.644 -4.178 7.504 1.00 41.25 H new ATOM 0 HA LYS A 60 3.970 -2.497 9.325 1.00 43.11 H new ATOM 0 HB2 LYS A 60 3.587 -4.968 9.543 1.00 1.24 H new ATOM 0 HB3 LYS A 60 4.741 -5.251 8.255 1.00 1.24 H new ATOM 0 HG2 LYS A 60 6.554 -4.257 9.648 1.00 63.32 H new ATOM 0 HG3 LYS A 60 5.404 -3.947 10.934 1.00 63.32 H new ATOM 0 HD2 LYS A 60 4.956 -6.411 11.114 1.00 63.31 H new ATOM 0 HD3 LYS A 60 6.130 -6.710 9.847 1.00 63.31 H new ATOM 0 HE2 LYS A 60 7.911 -5.658 11.289 1.00 54.13 H new ATOM 0 HE3 LYS A 60 6.727 -5.446 12.563 1.00 54.13 H new ATOM 0 HZ1 LYS A 60 8.030 -7.434 12.900 1.00 42.34 H new ATOM 0 HZ2 LYS A 60 6.405 -7.844 12.626 1.00 42.34 H new ATOM 0 HZ3 LYS A 60 7.553 -8.049 11.391 1.00 42.34 H new ATOM 611 N LYS A 61 5.792 -3.273 6.634 1.00 34.22 N ATOM 612 CA LYS A 61 6.928 -2.861 5.784 1.00 21.25 C ATOM 613 C LYS A 61 6.743 -1.422 5.267 1.00 32.42 C ATOM 614 O LYS A 61 7.639 -0.590 5.428 1.00 2.02 O ATOM 615 CB LYS A 61 7.131 -3.844 4.598 1.00 33.52 C ATOM 616 CG LYS A 61 7.779 -5.192 4.988 1.00 54.33 C ATOM 617 CD LYS A 61 7.990 -6.132 3.773 1.00 51.14 C ATOM 618 CE LYS A 61 8.849 -7.368 4.109 1.00 35.10 C ATOM 619 NZ LYS A 61 8.262 -8.183 5.196 1.00 71.44 N ATOM 0 H LYS A 61 5.306 -4.102 6.291 1.00 34.22 H new ATOM 0 HA LYS A 61 7.825 -2.888 6.403 1.00 21.25 H new ATOM 0 HB2 LYS A 61 6.164 -4.040 4.135 1.00 33.52 H new ATOM 0 HB3 LYS A 61 7.753 -3.361 3.844 1.00 33.52 H new ATOM 0 HG2 LYS A 61 8.740 -5.003 5.466 1.00 54.33 H new ATOM 0 HG3 LYS A 61 7.150 -5.693 5.724 1.00 54.33 H new ATOM 0 HD2 LYS A 61 7.019 -6.461 3.402 1.00 51.14 H new ATOM 0 HD3 LYS A 61 8.466 -5.574 2.967 1.00 51.14 H new ATOM 0 HE2 LYS A 61 8.960 -7.984 3.216 1.00 35.10 H new ATOM 0 HE3 LYS A 61 9.848 -7.045 4.400 1.00 35.10 H new ATOM 0 HZ1 LYS A 61 8.883 -8.149 6.029 1.00 71.44 H new ATOM 0 HZ2 LYS A 61 7.326 -7.805 5.447 1.00 71.44 H new ATOM 0 HZ3 LYS A 61 8.164 -9.168 4.877 1.00 71.44 H new ATOM 633 N ALA A 62 5.551 -1.132 4.701 1.00 3.24 N ATOM 634 CA ALA A 62 5.235 0.199 4.131 1.00 73.03 C ATOM 635 C ALA A 62 5.328 1.306 5.191 1.00 40.43 C ATOM 636 O ALA A 62 5.778 2.406 4.896 1.00 63.15 O ATOM 637 CB ALA A 62 3.840 0.201 3.495 1.00 13.42 C ATOM 0 H ALA A 62 4.788 -1.804 4.626 1.00 3.24 H new ATOM 0 HA ALA A 62 5.978 0.404 3.360 1.00 73.03 H new ATOM 0 HB1 ALA A 62 3.629 1.188 3.083 1.00 13.42 H new ATOM 0 HB2 ALA A 62 3.803 -0.541 2.697 1.00 13.42 H new ATOM 0 HB3 ALA A 62 3.095 -0.043 4.252 1.00 13.42 H new ATOM 643 N ASP A 63 4.929 0.984 6.429 1.00 41.43 N ATOM 644 CA ASP A 63 4.925 1.950 7.542 1.00 64.03 C ATOM 645 C ASP A 63 6.369 2.219 7.993 1.00 1.55 C ATOM 646 O ASP A 63 6.731 3.364 8.294 1.00 63.41 O ATOM 647 CB ASP A 63 4.062 1.420 8.709 1.00 50.21 C ATOM 648 CG ASP A 63 3.731 2.496 9.749 1.00 35.04 C ATOM 649 OD1 ASP A 63 2.772 3.277 9.530 1.00 41.10 O ATOM 650 OD2 ASP A 63 4.421 2.566 10.795 1.00 3.52 O ATOM 0 H ASP A 63 4.602 0.054 6.689 1.00 41.43 H new ATOM 0 HA ASP A 63 4.487 2.890 7.207 1.00 64.03 H new ATOM 0 HB2 ASP A 63 3.134 1.011 8.310 1.00 50.21 H new ATOM 0 HB3 ASP A 63 4.587 0.600 9.198 1.00 50.21 H new ATOM 655 N GLU A 64 7.194 1.150 8.005 1.00 31.25 N ATOM 656 CA GLU A 64 8.650 1.255 8.238 1.00 42.34 C ATOM 657 C GLU A 64 9.328 2.082 7.119 1.00 13.22 C ATOM 658 O GLU A 64 10.366 2.720 7.349 1.00 40.24 O ATOM 659 CB GLU A 64 9.292 -0.156 8.324 1.00 64.20 C ATOM 660 CG GLU A 64 8.798 -1.014 9.502 1.00 65.50 C ATOM 661 CD GLU A 64 9.367 -2.448 9.494 1.00 65.54 C ATOM 662 OE1 GLU A 64 8.820 -3.328 8.789 1.00 13.52 O ATOM 663 OE2 GLU A 64 10.383 -2.699 10.183 1.00 21.41 O ATOM 0 H GLU A 64 6.871 0.194 7.854 1.00 31.25 H new ATOM 0 HA GLU A 64 8.804 1.768 9.188 1.00 42.34 H new ATOM 0 HB2 GLU A 64 9.092 -0.689 7.394 1.00 64.20 H new ATOM 0 HB3 GLU A 64 10.374 -0.045 8.401 1.00 64.20 H new ATOM 0 HG2 GLU A 64 9.073 -0.527 10.438 1.00 65.50 H new ATOM 0 HG3 GLU A 64 7.709 -1.062 9.476 1.00 65.50 H new ATOM 670 N LYS A 65 8.738 2.048 5.902 1.00 20.31 N ATOM 671 CA LYS A 65 9.197 2.869 4.754 1.00 43.03 C ATOM 672 C LYS A 65 8.488 4.249 4.711 1.00 53.22 C ATOM 673 O LYS A 65 8.638 4.990 3.737 1.00 53.55 O ATOM 674 CB LYS A 65 8.983 2.110 3.408 1.00 71.33 C ATOM 675 CG LYS A 65 9.597 0.682 3.346 1.00 52.41 C ATOM 676 CD LYS A 65 11.053 0.617 3.875 1.00 55.44 C ATOM 677 CE LYS A 65 11.628 -0.810 3.878 1.00 41.14 C ATOM 678 NZ LYS A 65 12.947 -0.879 4.557 1.00 23.22 N ATOM 0 H LYS A 65 7.936 1.456 5.687 1.00 20.31 H new ATOM 0 HA LYS A 65 10.263 3.047 4.892 1.00 43.03 H new ATOM 0 HB2 LYS A 65 7.912 2.036 3.218 1.00 71.33 H new ATOM 0 HB3 LYS A 65 9.410 2.707 2.602 1.00 71.33 H new ATOM 0 HG2 LYS A 65 8.976 0.001 3.928 1.00 52.41 H new ATOM 0 HG3 LYS A 65 9.576 0.330 2.315 1.00 52.41 H new ATOM 0 HD2 LYS A 65 11.686 1.257 3.260 1.00 55.44 H new ATOM 0 HD3 LYS A 65 11.084 1.017 4.888 1.00 55.44 H new ATOM 0 HE2 LYS A 65 10.929 -1.481 4.376 1.00 41.14 H new ATOM 0 HE3 LYS A 65 11.730 -1.161 2.851 1.00 41.14 H new ATOM 0 HZ1 LYS A 65 13.298 -1.858 4.536 1.00 23.22 H new ATOM 0 HZ2 LYS A 65 13.623 -0.259 4.067 1.00 23.22 H new ATOM 0 HZ3 LYS A 65 12.846 -0.569 5.544 1.00 23.22 H new ATOM 692 N GLY A 66 7.694 4.572 5.758 1.00 21.54 N ATOM 693 CA GLY A 66 7.082 5.906 5.901 1.00 12.24 C ATOM 694 C GLY A 66 5.886 6.164 4.973 1.00 35.33 C ATOM 695 O GLY A 66 5.411 7.302 4.881 1.00 54.32 O ATOM 0 H GLY A 66 7.465 3.926 6.513 1.00 21.54 H new ATOM 0 HA2 GLY A 66 6.758 6.034 6.934 1.00 12.24 H new ATOM 0 HA3 GLY A 66 7.843 6.663 5.710 1.00 12.24 H new ATOM 699 N ALA A 67 5.413 5.113 4.281 1.00 33.20 N ATOM 700 CA ALA A 67 4.219 5.189 3.423 1.00 1.32 C ATOM 701 C ALA A 67 2.941 5.299 4.271 1.00 71.10 C ATOM 702 O ALA A 67 2.802 4.622 5.300 1.00 45.24 O ATOM 703 CB ALA A 67 4.150 3.965 2.496 1.00 44.30 C ATOM 0 H ALA A 67 5.846 4.190 4.301 1.00 33.20 H new ATOM 0 HA ALA A 67 4.294 6.087 2.809 1.00 1.32 H new ATOM 0 HB1 ALA A 67 3.262 4.034 1.867 1.00 44.30 H new ATOM 0 HB2 ALA A 67 5.039 3.935 1.866 1.00 44.30 H new ATOM 0 HB3 ALA A 67 4.100 3.056 3.096 1.00 44.30 H new ATOM 709 N ASP A 68 2.012 6.152 3.816 1.00 13.12 N ATOM 710 CA ASP A 68 0.735 6.397 4.502 1.00 11.42 C ATOM 711 C ASP A 68 -0.367 5.497 3.925 1.00 75.24 C ATOM 712 O ASP A 68 -1.321 5.159 4.630 1.00 22.53 O ATOM 713 CB ASP A 68 0.341 7.890 4.405 1.00 73.21 C ATOM 714 CG ASP A 68 1.338 8.813 5.136 1.00 13.35 C ATOM 715 OD1 ASP A 68 1.226 8.954 6.377 1.00 75.21 O ATOM 716 OD2 ASP A 68 2.238 9.390 4.475 1.00 13.43 O ATOM 0 H ASP A 68 2.126 6.693 2.959 1.00 13.12 H new ATOM 0 HA ASP A 68 0.856 6.150 5.557 1.00 11.42 H new ATOM 0 HB2 ASP A 68 0.285 8.180 3.356 1.00 73.21 H new ATOM 0 HB3 ASP A 68 -0.654 8.028 4.828 1.00 73.21 H new ATOM 721 N VAL A 69 -0.220 5.092 2.641 1.00 30.11 N ATOM 722 CA VAL A 69 -1.178 4.189 1.961 1.00 41.31 C ATOM 723 C VAL A 69 -0.455 2.993 1.331 1.00 43.54 C ATOM 724 O VAL A 69 0.636 3.125 0.758 1.00 44.24 O ATOM 725 CB VAL A 69 -2.042 4.955 0.877 1.00 21.44 C ATOM 726 CG1 VAL A 69 -2.784 4.001 -0.109 1.00 72.50 C ATOM 727 CG2 VAL A 69 -3.060 5.884 1.571 1.00 63.54 C ATOM 0 H VAL A 69 0.561 5.380 2.051 1.00 30.11 H new ATOM 0 HA VAL A 69 -1.863 3.815 2.722 1.00 41.31 H new ATOM 0 HB VAL A 69 -1.342 5.540 0.281 1.00 21.44 H new ATOM 0 HG11 VAL A 69 -3.357 4.591 -0.825 1.00 72.50 H new ATOM 0 HG12 VAL A 69 -2.055 3.391 -0.643 1.00 72.50 H new ATOM 0 HG13 VAL A 69 -3.459 3.354 0.450 1.00 72.50 H new ATOM 0 HG21 VAL A 69 -3.649 6.406 0.817 1.00 63.54 H new ATOM 0 HG22 VAL A 69 -3.722 5.291 2.202 1.00 63.54 H new ATOM 0 HG23 VAL A 69 -2.529 6.612 2.185 1.00 63.54 H new ATOM 737 N VAL A 70 -1.109 1.833 1.468 1.00 10.23 N ATOM 738 CA VAL A 70 -0.701 0.553 0.895 1.00 25.52 C ATOM 739 C VAL A 70 -1.770 0.151 -0.133 1.00 5.24 C ATOM 740 O VAL A 70 -2.892 -0.203 0.246 1.00 4.43 O ATOM 741 CB VAL A 70 -0.618 -0.547 2.020 1.00 4.11 C ATOM 742 CG1 VAL A 70 -0.067 -1.878 1.486 1.00 62.34 C ATOM 743 CG2 VAL A 70 0.197 -0.059 3.231 1.00 23.22 C ATOM 0 H VAL A 70 -1.973 1.762 2.005 1.00 10.23 H new ATOM 0 HA VAL A 70 0.281 0.642 0.430 1.00 25.52 H new ATOM 0 HB VAL A 70 -1.639 -0.729 2.356 1.00 4.11 H new ATOM 0 HG11 VAL A 70 -0.027 -2.606 2.296 1.00 62.34 H new ATOM 0 HG12 VAL A 70 -0.718 -2.250 0.695 1.00 62.34 H new ATOM 0 HG13 VAL A 70 0.936 -1.723 1.088 1.00 62.34 H new ATOM 0 HG21 VAL A 70 0.232 -0.844 3.986 1.00 23.22 H new ATOM 0 HG22 VAL A 70 1.211 0.185 2.913 1.00 23.22 H new ATOM 0 HG23 VAL A 70 -0.274 0.829 3.653 1.00 23.22 H new ATOM 753 N VAL A 71 -1.436 0.237 -1.421 1.00 23.44 N ATOM 754 CA VAL A 71 -2.366 -0.089 -2.514 1.00 70.53 C ATOM 755 C VAL A 71 -2.211 -1.561 -2.897 1.00 51.01 C ATOM 756 O VAL A 71 -1.112 -1.986 -3.275 1.00 31.13 O ATOM 757 CB VAL A 71 -2.111 0.815 -3.775 1.00 53.12 C ATOM 758 CG1 VAL A 71 -3.078 0.479 -4.942 1.00 4.22 C ATOM 759 CG2 VAL A 71 -2.205 2.306 -3.400 1.00 72.24 C ATOM 0 H VAL A 71 -0.514 0.534 -1.741 1.00 23.44 H new ATOM 0 HA VAL A 71 -3.381 0.099 -2.163 1.00 70.53 H new ATOM 0 HB VAL A 71 -1.101 0.604 -4.126 1.00 53.12 H new ATOM 0 HG11 VAL A 71 -2.864 1.129 -5.791 1.00 4.22 H new ATOM 0 HG12 VAL A 71 -2.943 -0.561 -5.238 1.00 4.22 H new ATOM 0 HG13 VAL A 71 -4.107 0.633 -4.618 1.00 4.22 H new ATOM 0 HG21 VAL A 71 -2.026 2.916 -4.285 1.00 72.24 H new ATOM 0 HG22 VAL A 71 -3.199 2.520 -3.007 1.00 72.24 H new ATOM 0 HG23 VAL A 71 -1.457 2.538 -2.642 1.00 72.24 H new ATOM 769 N LEU A 72 -3.311 -2.325 -2.795 1.00 23.32 N ATOM 770 CA LEU A 72 -3.349 -3.736 -3.213 1.00 74.15 C ATOM 771 C LEU A 72 -3.257 -3.836 -4.752 1.00 14.00 C ATOM 772 O LEU A 72 -4.272 -3.981 -5.444 1.00 62.44 O ATOM 773 CB LEU A 72 -4.638 -4.439 -2.689 1.00 4.52 C ATOM 774 CG LEU A 72 -4.823 -4.498 -1.134 1.00 70.45 C ATOM 775 CD1 LEU A 72 -6.141 -5.221 -0.756 1.00 61.42 C ATOM 776 CD2 LEU A 72 -3.607 -5.162 -0.437 1.00 54.15 C ATOM 0 H LEU A 72 -4.196 -1.983 -2.422 1.00 23.32 H new ATOM 0 HA LEU A 72 -2.491 -4.248 -2.778 1.00 74.15 H new ATOM 0 HB2 LEU A 72 -5.502 -3.929 -3.116 1.00 4.52 H new ATOM 0 HB3 LEU A 72 -4.649 -5.459 -3.072 1.00 4.52 H new ATOM 0 HG LEU A 72 -4.885 -3.471 -0.775 1.00 70.45 H new ATOM 0 HD11 LEU A 72 -6.243 -5.247 0.329 1.00 61.42 H new ATOM 0 HD12 LEU A 72 -6.987 -4.685 -1.187 1.00 61.42 H new ATOM 0 HD13 LEU A 72 -6.121 -6.240 -1.143 1.00 61.42 H new ATOM 0 HD21 LEU A 72 -3.773 -5.184 0.640 1.00 54.15 H new ATOM 0 HD22 LEU A 72 -3.487 -6.180 -0.807 1.00 54.15 H new ATOM 0 HD23 LEU A 72 -2.706 -4.589 -0.654 1.00 54.15 H new ATOM 788 N THR A 73 -2.019 -3.716 -5.278 1.00 13.23 N ATOM 789 CA THR A 73 -1.747 -3.841 -6.720 1.00 33.31 C ATOM 790 C THR A 73 -1.453 -5.309 -7.084 1.00 25.55 C ATOM 791 O THR A 73 -1.277 -5.642 -8.261 1.00 13.40 O ATOM 792 CB THR A 73 -0.575 -2.900 -7.175 1.00 50.01 C ATOM 793 OG1 THR A 73 -0.465 -2.900 -8.611 1.00 61.33 O ATOM 794 CG2 THR A 73 0.781 -3.300 -6.566 1.00 30.31 C ATOM 0 H THR A 73 -1.188 -3.531 -4.717 1.00 13.23 H new ATOM 0 HA THR A 73 -2.640 -3.522 -7.258 1.00 33.31 H new ATOM 0 HB THR A 73 -0.820 -1.902 -6.813 1.00 50.01 H new ATOM 0 HG1 THR A 73 -0.768 -3.763 -8.962 1.00 61.33 H new ATOM 0 HG21 THR A 73 1.553 -2.615 -6.916 1.00 30.31 H new ATOM 0 HG22 THR A 73 0.720 -3.253 -5.479 1.00 30.31 H new ATOM 0 HG23 THR A 73 1.032 -4.316 -6.872 1.00 30.31 H new ATOM 802 N SER A 74 -1.413 -6.177 -6.051 1.00 41.14 N ATOM 803 CA SER A 74 -1.340 -7.639 -6.215 1.00 42.45 C ATOM 804 C SER A 74 -2.537 -8.136 -7.041 1.00 1.23 C ATOM 805 O SER A 74 -2.409 -9.040 -7.879 1.00 12.12 O ATOM 806 CB SER A 74 -1.355 -8.326 -4.821 1.00 32.44 C ATOM 807 OG SER A 74 -1.069 -9.716 -4.896 1.00 13.31 O ATOM 0 H SER A 74 -1.431 -5.879 -5.076 1.00 41.14 H new ATOM 0 HA SER A 74 -0.415 -7.890 -6.735 1.00 42.45 H new ATOM 0 HB2 SER A 74 -0.624 -7.842 -4.173 1.00 32.44 H new ATOM 0 HB3 SER A 74 -2.332 -8.184 -4.360 1.00 32.44 H new ATOM 0 HG SER A 74 -1.088 -10.103 -3.996 1.00 13.31 H new ATOM 813 N GLY A 75 -3.695 -7.496 -6.791 1.00 61.51 N ATOM 814 CA GLY A 75 -4.971 -7.965 -7.289 1.00 52.14 C ATOM 815 C GLY A 75 -5.442 -9.164 -6.484 1.00 21.04 C ATOM 816 O GLY A 75 -4.750 -10.192 -6.447 1.00 52.04 O ATOM 0 H GLY A 75 -3.756 -6.642 -6.237 1.00 61.51 H new ATOM 0 HA2 GLY A 75 -5.709 -7.165 -7.229 1.00 52.14 H new ATOM 0 HA3 GLY A 75 -4.881 -8.237 -8.341 1.00 52.14 H new ATOM 820 N GLN A 76 -6.586 -9.020 -5.790 1.00 51.10 N ATOM 821 CA GLN A 76 -7.169 -10.113 -5.002 1.00 3.04 C ATOM 822 C GLN A 76 -7.801 -11.136 -5.965 1.00 63.31 C ATOM 823 O GLN A 76 -9.014 -11.150 -6.197 1.00 51.02 O ATOM 824 CB GLN A 76 -8.196 -9.579 -3.962 1.00 1.24 C ATOM 825 CG GLN A 76 -8.676 -10.634 -2.942 1.00 11.13 C ATOM 826 CD GLN A 76 -9.710 -10.086 -1.956 1.00 11.20 C ATOM 827 OE1 GLN A 76 -10.918 -10.163 -2.189 1.00 31.31 O ATOM 828 NE2 GLN A 76 -9.244 -9.505 -0.860 1.00 43.31 N ATOM 0 H GLN A 76 -7.123 -8.154 -5.761 1.00 51.10 H new ATOM 0 HA GLN A 76 -6.385 -10.606 -4.427 1.00 3.04 H new ATOM 0 HB2 GLN A 76 -7.747 -8.746 -3.421 1.00 1.24 H new ATOM 0 HB3 GLN A 76 -9.062 -9.185 -4.494 1.00 1.24 H new ATOM 0 HG2 GLN A 76 -9.106 -11.480 -3.478 1.00 11.13 H new ATOM 0 HG3 GLN A 76 -7.817 -11.012 -2.387 1.00 11.13 H new ATOM 0 HE21 GLN A 76 -8.238 -9.457 -0.696 1.00 43.31 H new ATOM 0 HE22 GLN A 76 -9.891 -9.105 -0.180 1.00 43.31 H new ATOM 837 N THR A 77 -6.919 -11.942 -6.572 1.00 13.51 N ATOM 838 CA THR A 77 -7.278 -13.012 -7.511 1.00 33.43 C ATOM 839 C THR A 77 -7.578 -14.317 -6.742 1.00 10.33 C ATOM 840 O THR A 77 -8.087 -15.275 -7.331 1.00 61.51 O ATOM 841 CB THR A 77 -6.128 -13.212 -8.572 1.00 34.33 C ATOM 842 OG1 THR A 77 -6.451 -14.247 -9.511 1.00 64.13 O ATOM 843 CG2 THR A 77 -4.768 -13.523 -7.921 1.00 20.30 C ATOM 0 H THR A 77 -5.913 -11.866 -6.420 1.00 13.51 H new ATOM 0 HA THR A 77 -8.182 -12.730 -8.050 1.00 33.43 H new ATOM 0 HB THR A 77 -6.043 -12.261 -9.098 1.00 34.33 H new ATOM 0 HG1 THR A 77 -6.990 -14.935 -9.067 1.00 64.13 H new ATOM 0 HG21 THR A 77 -4.014 -13.651 -8.697 1.00 20.30 H new ATOM 0 HG22 THR A 77 -4.480 -12.699 -7.268 1.00 20.30 H new ATOM 0 HG23 THR A 77 -4.846 -14.439 -7.336 1.00 20.30 H new ATOM 851 N GLU A 78 -7.223 -14.315 -5.425 1.00 63.44 N ATOM 852 CA GLU A 78 -7.597 -15.344 -4.416 1.00 43.24 C ATOM 853 C GLU A 78 -6.755 -16.636 -4.578 1.00 54.10 C ATOM 854 O GLU A 78 -5.959 -16.967 -3.695 1.00 72.50 O ATOM 855 CB GLU A 78 -9.147 -15.622 -4.440 1.00 54.22 C ATOM 856 CG GLU A 78 -9.748 -16.441 -3.259 1.00 21.44 C ATOM 857 CD GLU A 78 -9.462 -17.953 -3.323 1.00 72.01 C ATOM 858 OE1 GLU A 78 -9.878 -18.604 -4.309 1.00 64.52 O ATOM 859 OE2 GLU A 78 -8.833 -18.501 -2.391 1.00 0.23 O ATOM 0 H GLU A 78 -6.650 -13.572 -5.026 1.00 63.44 H new ATOM 0 HA GLU A 78 -7.362 -14.949 -3.428 1.00 43.24 H new ATOM 0 HB2 GLU A 78 -9.661 -14.661 -4.479 1.00 54.22 H new ATOM 0 HB3 GLU A 78 -9.381 -16.146 -5.367 1.00 54.22 H new ATOM 0 HG2 GLU A 78 -9.353 -16.048 -2.322 1.00 21.44 H new ATOM 0 HG3 GLU A 78 -10.827 -16.288 -3.239 1.00 21.44 H new ATOM 866 N ASN A 79 -6.924 -17.327 -5.725 1.00 41.34 N ATOM 867 CA ASN A 79 -6.365 -18.675 -5.972 1.00 3.21 C ATOM 868 C ASN A 79 -4.831 -18.708 -5.815 1.00 22.05 C ATOM 869 O ASN A 79 -4.296 -19.484 -5.013 1.00 42.43 O ATOM 870 CB ASN A 79 -6.783 -19.154 -7.388 1.00 32.50 C ATOM 871 CG ASN A 79 -6.329 -20.574 -7.741 1.00 71.10 C ATOM 872 OD1 ASN A 79 -6.239 -21.455 -6.883 1.00 53.24 O ATOM 873 ND2 ASN A 79 -6.047 -20.813 -9.014 1.00 70.14 N ATOM 0 H ASN A 79 -7.457 -16.962 -6.514 1.00 41.34 H new ATOM 0 HA ASN A 79 -6.771 -19.353 -5.221 1.00 3.21 H new ATOM 0 HB2 ASN A 79 -7.869 -19.103 -7.468 1.00 32.50 H new ATOM 0 HB3 ASN A 79 -6.376 -18.463 -8.126 1.00 32.50 H new ATOM 0 HD21 ASN A 79 -5.747 -21.744 -9.304 1.00 70.14 H new ATOM 0 HD22 ASN A 79 -6.130 -20.066 -9.704 1.00 70.14 H new ATOM 880 N LYS A 80 -4.133 -17.849 -6.570 1.00 33.35 N ATOM 881 CA LYS A 80 -2.670 -17.726 -6.494 1.00 25.45 C ATOM 882 C LYS A 80 -2.289 -16.254 -6.290 1.00 2.03 C ATOM 883 O LYS A 80 -2.321 -15.448 -7.229 1.00 70.23 O ATOM 884 CB LYS A 80 -1.994 -18.311 -7.764 1.00 35.00 C ATOM 885 CG LYS A 80 -0.456 -18.168 -7.782 1.00 40.14 C ATOM 886 CD LYS A 80 0.214 -18.768 -9.041 1.00 34.14 C ATOM 887 CE LYS A 80 0.121 -20.302 -9.105 1.00 13.54 C ATOM 888 NZ LYS A 80 0.819 -20.848 -10.295 1.00 50.01 N ATOM 0 H LYS A 80 -4.564 -17.221 -7.249 1.00 33.35 H new ATOM 0 HA LYS A 80 -2.310 -18.303 -5.642 1.00 25.45 H new ATOM 0 HB2 LYS A 80 -2.251 -19.367 -7.846 1.00 35.00 H new ATOM 0 HB3 LYS A 80 -2.405 -17.814 -8.643 1.00 35.00 H new ATOM 0 HG2 LYS A 80 -0.198 -17.111 -7.714 1.00 40.14 H new ATOM 0 HG3 LYS A 80 -0.045 -18.654 -6.897 1.00 40.14 H new ATOM 0 HD2 LYS A 80 -0.254 -18.345 -9.930 1.00 34.14 H new ATOM 0 HD3 LYS A 80 1.263 -18.473 -9.062 1.00 34.14 H new ATOM 0 HE2 LYS A 80 0.555 -20.730 -8.201 1.00 13.54 H new ATOM 0 HE3 LYS A 80 -0.927 -20.602 -9.129 1.00 13.54 H new ATOM 0 HZ1 LYS A 80 0.734 -21.884 -10.302 1.00 50.01 H new ATOM 0 HZ2 LYS A 80 0.389 -20.459 -11.158 1.00 50.01 H new ATOM 0 HZ3 LYS A 80 1.824 -20.584 -10.259 1.00 50.01 H new ATOM 902 N ILE A 81 -1.957 -15.911 -5.040 1.00 53.31 N ATOM 903 CA ILE A 81 -1.515 -14.563 -4.641 1.00 41.54 C ATOM 904 C ILE A 81 -0.125 -14.651 -3.984 1.00 72.01 C ATOM 905 O ILE A 81 0.477 -15.732 -3.929 1.00 54.13 O ATOM 906 CB ILE A 81 -2.527 -13.910 -3.619 1.00 44.03 C ATOM 907 CG1 ILE A 81 -2.679 -14.821 -2.355 1.00 62.23 C ATOM 908 CG2 ILE A 81 -3.900 -13.629 -4.283 1.00 43.42 C ATOM 909 CD1 ILE A 81 -3.491 -14.223 -1.229 1.00 70.53 C ATOM 0 H ILE A 81 -1.987 -16.570 -4.262 1.00 53.31 H new ATOM 0 HA ILE A 81 -1.473 -13.941 -5.535 1.00 41.54 H new ATOM 0 HB ILE A 81 -2.123 -12.948 -3.303 1.00 44.03 H new ATOM 0 HG12 ILE A 81 -3.142 -15.761 -2.657 1.00 62.23 H new ATOM 0 HG13 ILE A 81 -1.685 -15.062 -1.978 1.00 62.23 H new ATOM 0 HG21 ILE A 81 -4.572 -13.180 -3.552 1.00 43.42 H new ATOM 0 HG22 ILE A 81 -3.766 -12.945 -5.121 1.00 43.42 H new ATOM 0 HG23 ILE A 81 -4.328 -14.564 -4.643 1.00 43.42 H new ATOM 0 HD11 ILE A 81 -3.539 -14.929 -0.400 1.00 70.53 H new ATOM 0 HD12 ILE A 81 -3.021 -13.299 -0.892 1.00 70.53 H new ATOM 0 HD13 ILE A 81 -4.500 -14.009 -1.582 1.00 70.53 H new ATOM 921 N HIS A 82 0.379 -13.498 -3.514 1.00 41.10 N ATOM 922 CA HIS A 82 1.500 -13.439 -2.559 1.00 54.20 C ATOM 923 C HIS A 82 1.358 -12.187 -1.691 1.00 63.32 C ATOM 924 O HIS A 82 1.391 -12.271 -0.456 1.00 42.11 O ATOM 925 CB HIS A 82 2.905 -13.523 -3.244 1.00 61.50 C ATOM 926 CG HIS A 82 3.154 -12.605 -4.422 1.00 53.42 C ATOM 927 ND1 HIS A 82 2.794 -12.937 -5.713 1.00 22.35 N ATOM 928 CD2 HIS A 82 3.786 -11.403 -4.511 1.00 40.40 C ATOM 929 CE1 HIS A 82 3.187 -11.986 -6.543 1.00 30.10 C ATOM 930 NE2 HIS A 82 3.792 -11.050 -5.839 1.00 63.55 N ATOM 0 H HIS A 82 0.022 -12.582 -3.784 1.00 41.10 H new ATOM 0 HA HIS A 82 1.446 -14.324 -1.926 1.00 54.20 H new ATOM 0 HB2 HIS A 82 3.663 -13.316 -2.488 1.00 61.50 H new ATOM 0 HB3 HIS A 82 3.058 -14.550 -3.577 1.00 61.50 H new ATOM 0 HD2 HIS A 82 4.204 -10.835 -3.693 1.00 40.40 H new ATOM 0 HE1 HIS A 82 3.038 -11.977 -7.613 1.00 30.10 H new ATOM 0 HE2 HIS A 82 4.201 -10.197 -6.220 1.00 63.55 H new ATOM 939 N GLY A 83 1.143 -11.038 -2.352 1.00 1.41 N ATOM 940 CA GLY A 83 0.991 -9.757 -1.672 1.00 41.22 C ATOM 941 C GLY A 83 1.965 -8.718 -2.206 1.00 74.31 C ATOM 942 O GLY A 83 3.035 -8.504 -1.639 1.00 2.42 O ATOM 0 H GLY A 83 1.071 -10.979 -3.368 1.00 1.41 H new ATOM 0 HA2 GLY A 83 -0.030 -9.397 -1.798 1.00 41.22 H new ATOM 0 HA3 GLY A 83 1.152 -9.891 -0.602 1.00 41.22 H new ATOM 946 N THR A 84 1.603 -8.107 -3.336 1.00 1.44 N ATOM 947 CA THR A 84 2.344 -6.979 -3.922 1.00 2.11 C ATOM 948 C THR A 84 1.575 -5.684 -3.618 1.00 52.15 C ATOM 949 O THR A 84 0.353 -5.620 -3.828 1.00 21.12 O ATOM 950 CB THR A 84 2.487 -7.154 -5.472 1.00 22.21 C ATOM 951 OG1 THR A 84 2.805 -8.517 -5.770 1.00 22.23 O ATOM 952 CG2 THR A 84 3.586 -6.257 -6.065 1.00 33.42 C ATOM 0 H THR A 84 0.782 -8.380 -3.877 1.00 1.44 H new ATOM 0 HA THR A 84 3.344 -6.940 -3.491 1.00 2.11 H new ATOM 0 HB THR A 84 1.535 -6.864 -5.917 1.00 22.21 H new ATOM 0 HG1 THR A 84 3.418 -8.866 -5.090 1.00 22.23 H new ATOM 0 HG21 THR A 84 3.644 -6.417 -7.142 1.00 33.42 H new ATOM 0 HG22 THR A 84 3.350 -5.212 -5.865 1.00 33.42 H new ATOM 0 HG23 THR A 84 4.544 -6.506 -5.609 1.00 33.42 H new ATOM 960 N ALA A 85 2.274 -4.658 -3.125 1.00 71.24 N ATOM 961 CA ALA A 85 1.649 -3.386 -2.752 1.00 70.22 C ATOM 962 C ALA A 85 2.402 -2.207 -3.346 1.00 60.30 C ATOM 963 O ALA A 85 3.628 -2.119 -3.211 1.00 72.05 O ATOM 964 CB ALA A 85 1.582 -3.247 -1.238 1.00 1.01 C ATOM 0 H ALA A 85 3.282 -4.685 -2.974 1.00 71.24 H new ATOM 0 HA ALA A 85 0.636 -3.385 -3.155 1.00 70.22 H new ATOM 0 HB1 ALA A 85 1.115 -2.296 -0.980 1.00 1.01 H new ATOM 0 HB2 ALA A 85 0.993 -4.065 -0.823 1.00 1.01 H new ATOM 0 HB3 ALA A 85 2.590 -3.280 -0.825 1.00 1.01 H new ATOM 970 N ASP A 86 1.659 -1.311 -3.998 1.00 25.12 N ATOM 971 CA ASP A 86 2.206 -0.035 -4.463 1.00 63.44 C ATOM 972 C ASP A 86 2.141 0.903 -3.257 1.00 63.42 C ATOM 973 O ASP A 86 1.049 1.136 -2.723 1.00 72.24 O ATOM 974 CB ASP A 86 1.348 0.509 -5.662 1.00 61.42 C ATOM 975 CG ASP A 86 2.161 1.056 -6.836 1.00 15.10 C ATOM 976 OD1 ASP A 86 3.064 0.348 -7.317 1.00 40.43 O ATOM 977 OD2 ASP A 86 1.881 2.173 -7.313 1.00 60.21 O ATOM 0 H ASP A 86 0.672 -1.447 -4.217 1.00 25.12 H new ATOM 0 HA ASP A 86 3.229 -0.129 -4.828 1.00 63.44 H new ATOM 0 HB2 ASP A 86 0.707 -0.294 -6.025 1.00 61.42 H new ATOM 0 HB3 ASP A 86 0.693 1.298 -5.293 1.00 61.42 H new ATOM 982 N ILE A 87 3.283 1.448 -2.819 1.00 55.11 N ATOM 983 CA ILE A 87 3.324 2.240 -1.579 1.00 5.14 C ATOM 984 C ILE A 87 3.362 3.735 -1.898 1.00 15.44 C ATOM 985 O ILE A 87 4.115 4.206 -2.777 1.00 3.40 O ATOM 986 CB ILE A 87 4.491 1.809 -0.614 1.00 44.33 C ATOM 987 CG1 ILE A 87 5.895 1.904 -1.284 1.00 23.04 C ATOM 988 CG2 ILE A 87 4.227 0.375 -0.087 1.00 64.32 C ATOM 989 CD1 ILE A 87 7.075 1.651 -0.353 1.00 33.42 C ATOM 0 H ILE A 87 4.180 1.358 -3.296 1.00 55.11 H new ATOM 0 HA ILE A 87 2.404 2.033 -1.033 1.00 5.14 H new ATOM 0 HB ILE A 87 4.504 2.510 0.221 1.00 44.33 H new ATOM 0 HG12 ILE A 87 5.939 1.186 -2.103 1.00 23.04 H new ATOM 0 HG13 ILE A 87 6.005 2.896 -1.723 1.00 23.04 H new ATOM 0 HG21 ILE A 87 5.036 0.078 0.581 1.00 64.32 H new ATOM 0 HG22 ILE A 87 3.282 0.355 0.456 1.00 64.32 H new ATOM 0 HG23 ILE A 87 4.177 -0.318 -0.927 1.00 64.32 H new ATOM 0 HD11 ILE A 87 8.006 1.740 -0.913 1.00 33.42 H new ATOM 0 HD12 ILE A 87 7.066 2.384 0.454 1.00 33.42 H new ATOM 0 HD13 ILE A 87 6.999 0.648 0.067 1.00 33.42 H new ATOM 1001 N TYR A 88 2.516 4.470 -1.173 1.00 1.22 N ATOM 1002 CA TYR A 88 2.263 5.887 -1.397 1.00 10.24 C ATOM 1003 C TYR A 88 2.403 6.654 -0.097 1.00 64.24 C ATOM 1004 O TYR A 88 2.063 6.148 0.980 1.00 55.30 O ATOM 1005 CB TYR A 88 0.841 6.102 -1.969 1.00 54.53 C ATOM 1006 CG TYR A 88 0.698 5.793 -3.467 1.00 2.33 C ATOM 1007 CD1 TYR A 88 0.569 4.489 -3.936 1.00 4.53 C ATOM 1008 CD2 TYR A 88 0.670 6.822 -4.413 1.00 71.33 C ATOM 1009 CE1 TYR A 88 0.420 4.229 -5.283 1.00 23.54 C ATOM 1010 CE2 TYR A 88 0.517 6.565 -5.756 1.00 20.15 C ATOM 1011 CZ TYR A 88 0.392 5.270 -6.187 1.00 31.41 C ATOM 1012 OH TYR A 88 0.231 5.018 -7.530 1.00 13.02 O ATOM 0 H TYR A 88 1.978 4.084 -0.397 1.00 1.22 H new ATOM 0 HA TYR A 88 2.995 6.255 -2.116 1.00 10.24 H new ATOM 0 HB2 TYR A 88 0.143 5.475 -1.414 1.00 54.53 H new ATOM 0 HB3 TYR A 88 0.547 7.137 -1.796 1.00 54.53 H new ATOM 0 HD1 TYR A 88 0.586 3.668 -3.235 1.00 4.53 H new ATOM 0 HD2 TYR A 88 0.771 7.845 -4.081 1.00 71.33 H new ATOM 0 HE1 TYR A 88 0.325 3.210 -5.629 1.00 23.54 H new ATOM 0 HE2 TYR A 88 0.496 7.379 -6.466 1.00 20.15 H new ATOM 0 HH TYR A 88 0.672 4.173 -7.759 1.00 13.02 H new ATOM 1022 N LYS A 89 2.873 7.894 -0.210 1.00 31.24 N ATOM 1023 CA LYS A 89 2.966 8.815 0.918 1.00 33.44 C ATOM 1024 C LYS A 89 1.979 9.962 0.707 1.00 13.01 C ATOM 1025 O LYS A 89 1.881 10.500 -0.399 1.00 73.30 O ATOM 1026 CB LYS A 89 4.414 9.342 1.074 1.00 45.30 C ATOM 1027 CG LYS A 89 4.591 10.257 2.299 1.00 24.31 C ATOM 1028 CD LYS A 89 6.045 10.368 2.789 1.00 42.23 C ATOM 1029 CE LYS A 89 6.108 10.924 4.220 1.00 52.42 C ATOM 1030 NZ LYS A 89 5.276 10.116 5.153 1.00 22.32 N ATOM 0 H LYS A 89 3.201 8.289 -1.091 1.00 31.24 H new ATOM 0 HA LYS A 89 2.710 8.292 1.839 1.00 33.44 H new ATOM 0 HB2 LYS A 89 5.096 8.496 1.158 1.00 45.30 H new ATOM 0 HB3 LYS A 89 4.695 9.890 0.174 1.00 45.30 H new ATOM 0 HG2 LYS A 89 4.224 11.253 2.052 1.00 24.31 H new ATOM 0 HG3 LYS A 89 3.971 9.882 3.113 1.00 24.31 H new ATOM 0 HD2 LYS A 89 6.519 9.387 2.756 1.00 42.23 H new ATOM 0 HD3 LYS A 89 6.609 11.017 2.119 1.00 42.23 H new ATOM 0 HE2 LYS A 89 7.142 10.930 4.564 1.00 52.42 H new ATOM 0 HE3 LYS A 89 5.764 11.958 4.226 1.00 52.42 H new ATOM 0 HZ1 LYS A 89 5.610 10.258 6.128 1.00 22.32 H new ATOM 0 HZ2 LYS A 89 4.283 10.415 5.080 1.00 22.32 H new ATOM 0 HZ3 LYS A 89 5.354 9.109 4.904 1.00 22.32 H new ATOM 1044 N LYS A 90 1.245 10.325 1.771 1.00 1.30 N ATOM 1045 CA LYS A 90 0.180 11.326 1.702 1.00 61.45 C ATOM 1046 C LYS A 90 0.751 12.740 1.533 1.00 33.33 C ATOM 1047 O LYS A 90 1.533 13.215 2.367 1.00 25.21 O ATOM 1048 CB LYS A 90 -0.729 11.209 2.947 1.00 44.14 C ATOM 1049 CG LYS A 90 -1.973 12.133 2.944 1.00 1.01 C ATOM 1050 CD LYS A 90 -3.114 11.603 3.842 1.00 41.51 C ATOM 1051 CE LYS A 90 -2.689 11.328 5.292 1.00 72.40 C ATOM 1052 NZ LYS A 90 -3.788 10.714 6.075 1.00 72.41 N ATOM 0 H LYS A 90 1.377 9.930 2.702 1.00 1.30 H new ATOM 0 HA LYS A 90 -0.429 11.133 0.819 1.00 61.45 H new ATOM 0 HB2 LYS A 90 -1.064 10.176 3.037 1.00 44.14 H new ATOM 0 HB3 LYS A 90 -0.134 11.430 3.833 1.00 44.14 H new ATOM 0 HG2 LYS A 90 -1.682 13.127 3.283 1.00 1.01 H new ATOM 0 HG3 LYS A 90 -2.339 12.238 1.923 1.00 1.01 H new ATOM 0 HD2 LYS A 90 -3.928 12.328 3.844 1.00 41.51 H new ATOM 0 HD3 LYS A 90 -3.507 10.683 3.408 1.00 41.51 H new ATOM 0 HE2 LYS A 90 -1.823 10.666 5.299 1.00 72.40 H new ATOM 0 HE3 LYS A 90 -2.381 12.261 5.765 1.00 72.40 H new ATOM 0 HZ1 LYS A 90 -3.466 10.542 7.049 1.00 72.41 H new ATOM 0 HZ2 LYS A 90 -4.606 11.357 6.089 1.00 72.41 H new ATOM 0 HZ3 LYS A 90 -4.064 9.812 5.637 1.00 72.41 H new ATOM 1066 N LYS A 91 0.381 13.366 0.403 1.00 51.42 N ATOM 1067 CA LYS A 91 0.773 14.731 0.061 1.00 1.22 C ATOM 1068 C LYS A 91 0.122 15.718 1.034 1.00 31.32 C ATOM 1069 O LYS A 91 -1.093 15.950 0.986 1.00 41.21 O ATOM 1070 CB LYS A 91 0.365 15.073 -1.397 1.00 70.23 C ATOM 1071 CG LYS A 91 0.898 14.092 -2.457 1.00 71.45 C ATOM 1072 CD LYS A 91 0.581 14.522 -3.909 1.00 5.30 C ATOM 1073 CE LYS A 91 1.281 15.838 -4.307 1.00 5.33 C ATOM 1074 NZ LYS A 91 1.048 16.199 -5.726 1.00 33.31 N ATOM 0 H LYS A 91 -0.207 12.926 -0.304 1.00 51.42 H new ATOM 0 HA LYS A 91 1.857 14.810 0.140 1.00 1.22 H new ATOM 0 HB2 LYS A 91 -0.723 15.100 -1.460 1.00 70.23 H new ATOM 0 HB3 LYS A 91 0.722 16.075 -1.635 1.00 70.23 H new ATOM 0 HG2 LYS A 91 1.978 13.996 -2.342 1.00 71.45 H new ATOM 0 HG3 LYS A 91 0.470 13.106 -2.276 1.00 71.45 H new ATOM 0 HD2 LYS A 91 0.888 13.731 -4.593 1.00 5.30 H new ATOM 0 HD3 LYS A 91 -0.497 14.640 -4.021 1.00 5.30 H new ATOM 0 HE2 LYS A 91 0.923 16.644 -3.667 1.00 5.33 H new ATOM 0 HE3 LYS A 91 2.353 15.743 -4.131 1.00 5.33 H new ATOM 0 HZ1 LYS A 91 1.539 17.090 -5.943 1.00 33.31 H new ATOM 0 HZ2 LYS A 91 1.413 15.444 -6.341 1.00 33.31 H new ATOM 0 HZ3 LYS A 91 0.028 16.317 -5.891 1.00 33.31 H new ATOM 1088 N LEU A 92 0.937 16.242 1.944 1.00 71.41 N ATOM 1089 CA LEU A 92 0.554 17.285 2.888 1.00 14.35 C ATOM 1090 C LEU A 92 1.491 18.476 2.660 1.00 63.45 C ATOM 1091 O LEU A 92 2.579 18.553 3.254 1.00 41.40 O ATOM 1092 CB LEU A 92 0.636 16.745 4.342 1.00 30.12 C ATOM 1093 CG LEU A 92 -0.281 15.516 4.654 1.00 42.44 C ATOM 1094 CD1 LEU A 92 -0.001 14.930 6.048 1.00 11.10 C ATOM 1095 CD2 LEU A 92 -1.779 15.879 4.497 1.00 62.33 C ATOM 0 H LEU A 92 1.907 15.945 2.048 1.00 71.41 H new ATOM 0 HA LEU A 92 -0.477 17.603 2.732 1.00 14.35 H new ATOM 0 HB2 LEU A 92 1.669 16.468 4.551 1.00 30.12 H new ATOM 0 HB3 LEU A 92 0.378 17.553 5.027 1.00 30.12 H new ATOM 0 HG LEU A 92 -0.041 14.745 3.922 1.00 42.44 H new ATOM 0 HD11 LEU A 92 -0.659 14.079 6.224 1.00 11.10 H new ATOM 0 HD12 LEU A 92 1.037 14.603 6.103 1.00 11.10 H new ATOM 0 HD13 LEU A 92 -0.183 15.692 6.806 1.00 11.10 H new ATOM 0 HD21 LEU A 92 -2.391 15.005 4.720 1.00 62.33 H new ATOM 0 HD22 LEU A 92 -2.032 16.685 5.186 1.00 62.33 H new ATOM 0 HD23 LEU A 92 -1.970 16.203 3.474 1.00 62.33 H new ATOM 1107 N GLU A 93 1.092 19.360 1.727 1.00 72.02 N ATOM 1108 CA GLU A 93 1.926 20.486 1.271 1.00 42.23 C ATOM 1109 C GLU A 93 2.163 21.497 2.409 1.00 3.45 C ATOM 1110 O GLU A 93 3.270 21.579 2.957 1.00 43.12 O ATOM 1111 CB GLU A 93 1.272 21.167 0.038 1.00 51.14 C ATOM 1112 CG GLU A 93 2.119 22.280 -0.609 1.00 54.31 C ATOM 1113 CD GLU A 93 3.465 21.761 -1.150 1.00 71.14 C ATOM 1114 OE1 GLU A 93 3.490 21.222 -2.274 1.00 31.21 O ATOM 1115 OE2 GLU A 93 4.498 21.873 -0.451 1.00 24.41 O ATOM 0 H GLU A 93 0.182 19.313 1.268 1.00 72.02 H new ATOM 0 HA GLU A 93 2.901 20.099 0.974 1.00 42.23 H new ATOM 0 HB2 GLU A 93 1.064 20.405 -0.713 1.00 51.14 H new ATOM 0 HB3 GLU A 93 0.313 21.588 0.339 1.00 51.14 H new ATOM 0 HG2 GLU A 93 1.555 22.734 -1.424 1.00 54.31 H new ATOM 0 HG3 GLU A 93 2.305 23.064 0.125 1.00 54.31 H new ATOM 1122 N HIS A 94 1.111 22.241 2.773 1.00 42.00 N ATOM 1123 CA HIS A 94 1.147 23.170 3.910 1.00 3.03 C ATOM 1124 C HIS A 94 0.529 22.477 5.119 1.00 75.14 C ATOM 1125 O HIS A 94 -0.680 22.592 5.366 1.00 11.14 O ATOM 1126 CB HIS A 94 0.403 24.495 3.593 1.00 33.10 C ATOM 1127 CG HIS A 94 0.987 25.250 2.435 1.00 1.31 C ATOM 1128 ND1 HIS A 94 0.470 25.187 1.161 1.00 60.34 N ATOM 1129 CD2 HIS A 94 2.065 26.065 2.361 1.00 11.00 C ATOM 1130 CE1 HIS A 94 1.204 25.920 0.353 1.00 51.23 C ATOM 1131 NE2 HIS A 94 2.179 26.465 1.054 1.00 72.45 N ATOM 0 H HIS A 94 0.213 22.216 2.289 1.00 42.00 H new ATOM 0 HA HIS A 94 2.183 23.436 4.121 1.00 3.03 H new ATOM 0 HB2 HIS A 94 -0.643 24.273 3.381 1.00 33.10 H new ATOM 0 HB3 HIS A 94 0.420 25.132 4.477 1.00 33.10 H new ATOM 0 HD2 HIS A 94 2.713 26.347 3.177 1.00 11.00 H new ATOM 0 HE1 HIS A 94 1.037 26.053 -0.706 1.00 51.23 H new ATOM 0 HE2 HIS A 94 2.901 27.084 0.684 1.00 72.45 H new ATOM 1140 N HIS A 95 1.350 21.681 5.826 1.00 73.14 N ATOM 1141 CA HIS A 95 0.939 21.021 7.075 1.00 15.44 C ATOM 1142 C HIS A 95 1.059 22.032 8.239 1.00 43.04 C ATOM 1143 O HIS A 95 1.905 21.910 9.133 1.00 24.12 O ATOM 1144 CB HIS A 95 1.756 19.719 7.320 1.00 5.30 C ATOM 1145 CG HIS A 95 1.263 18.901 8.496 1.00 50.20 C ATOM 1146 ND1 HIS A 95 1.653 19.145 9.794 1.00 54.51 N ATOM 1147 CD2 HIS A 95 0.401 17.854 8.559 1.00 25.05 C ATOM 1148 CE1 HIS A 95 1.056 18.291 10.600 1.00 3.04 C ATOM 1149 NE2 HIS A 95 0.293 17.501 9.880 1.00 52.22 N ATOM 0 H HIS A 95 2.311 21.479 5.549 1.00 73.14 H new ATOM 0 HA HIS A 95 -0.102 20.707 7.003 1.00 15.44 H new ATOM 0 HB2 HIS A 95 1.720 19.104 6.421 1.00 5.30 H new ATOM 0 HB3 HIS A 95 2.801 19.982 7.485 1.00 5.30 H new ATOM 0 HD1 HIS A 95 2.304 19.874 10.086 1.00 54.51 H new ATOM 0 HD2 HIS A 95 -0.104 17.387 7.726 1.00 25.05 H new ATOM 0 HE1 HIS A 95 1.174 18.248 11.673 1.00 3.04 H new ATOM 1158 N HIS A 96 0.210 23.066 8.174 1.00 44.11 N ATOM 1159 CA HIS A 96 0.155 24.134 9.171 1.00 15.03 C ATOM 1160 C HIS A 96 -0.806 23.714 10.300 1.00 30.54 C ATOM 1161 O HIS A 96 -1.981 24.090 10.302 1.00 42.32 O ATOM 1162 CB HIS A 96 -0.267 25.460 8.478 1.00 62.20 C ATOM 1163 CG HIS A 96 -0.420 26.643 9.394 1.00 74.31 C ATOM 1164 ND1 HIS A 96 -1.606 26.943 10.025 1.00 14.23 N ATOM 1165 CD2 HIS A 96 0.462 27.596 9.777 1.00 31.55 C ATOM 1166 CE1 HIS A 96 -1.451 28.026 10.754 1.00 21.05 C ATOM 1167 NE2 HIS A 96 -0.208 28.447 10.618 1.00 43.44 N ATOM 0 H HIS A 96 -0.464 23.182 7.417 1.00 44.11 H new ATOM 0 HA HIS A 96 1.133 24.305 9.621 1.00 15.03 H new ATOM 0 HB2 HIS A 96 0.473 25.704 7.716 1.00 62.20 H new ATOM 0 HB3 HIS A 96 -1.213 25.296 7.962 1.00 62.20 H new ATOM 0 HD2 HIS A 96 1.497 27.672 9.477 1.00 31.55 H new ATOM 0 HE1 HIS A 96 -2.212 28.492 11.362 1.00 21.05 H new ATOM 0 HE2 HIS A 96 0.190 29.272 11.066 1.00 43.44 H new ATOM 1176 N HIS A 97 -0.287 22.836 11.181 1.00 63.22 N ATOM 1177 CA HIS A 97 -0.971 22.352 12.400 1.00 11.31 C ATOM 1178 C HIS A 97 -2.397 21.795 12.100 1.00 50.04 C ATOM 1179 O HIS A 97 -3.400 22.496 12.280 1.00 11.52 O ATOM 1180 CB HIS A 97 -0.995 23.461 13.495 1.00 62.21 C ATOM 1181 CG HIS A 97 -1.468 23.000 14.852 1.00 61.01 C ATOM 1182 ND1 HIS A 97 -0.617 22.512 15.816 1.00 3.23 N ATOM 1183 CD2 HIS A 97 -2.707 22.973 15.405 1.00 31.23 C ATOM 1184 CE1 HIS A 97 -1.305 22.207 16.897 1.00 15.23 C ATOM 1185 NE2 HIS A 97 -2.579 22.476 16.674 1.00 73.51 N ATOM 0 H HIS A 97 0.642 22.433 11.063 1.00 63.22 H new ATOM 0 HA HIS A 97 -0.395 21.511 12.787 1.00 11.31 H new ATOM 0 HB2 HIS A 97 0.009 23.874 13.596 1.00 62.21 H new ATOM 0 HB3 HIS A 97 -1.640 24.272 13.157 1.00 62.21 H new ATOM 0 HD2 HIS A 97 -3.625 23.286 14.931 1.00 31.23 H new ATOM 0 HE1 HIS A 97 -0.896 21.805 17.812 1.00 15.23 H new ATOM 0 HE2 HIS A 97 -3.341 22.336 17.337 1.00 73.51 H new ATOM 1194 N HIS A 98 -2.452 20.556 11.585 1.00 42.41 N ATOM 1195 CA HIS A 98 -3.715 19.813 11.387 1.00 50.03 C ATOM 1196 C HIS A 98 -3.398 18.325 11.211 1.00 61.43 C ATOM 1197 O HIS A 98 -2.425 17.966 10.532 1.00 65.54 O ATOM 1198 CB HIS A 98 -4.548 20.357 10.183 1.00 61.12 C ATOM 1199 CG HIS A 98 -3.917 20.184 8.831 1.00 63.24 C ATOM 1200 ND1 HIS A 98 -2.995 21.066 8.325 1.00 72.04 N ATOM 1201 CD2 HIS A 98 -4.075 19.221 7.882 1.00 45.02 C ATOM 1202 CE1 HIS A 98 -2.612 20.657 7.136 1.00 42.14 C ATOM 1203 NE2 HIS A 98 -3.246 19.545 6.839 1.00 62.55 N ATOM 0 H HIS A 98 -1.624 20.038 11.293 1.00 42.41 H new ATOM 0 HA HIS A 98 -4.336 19.955 12.272 1.00 50.03 H new ATOM 0 HB2 HIS A 98 -5.517 19.858 10.179 1.00 61.12 H new ATOM 0 HB3 HIS A 98 -4.736 21.418 10.344 1.00 61.12 H new ATOM 0 HD2 HIS A 98 -4.730 18.364 7.940 1.00 45.02 H new ATOM 0 HE1 HIS A 98 -1.892 21.155 6.504 1.00 42.14 H new ATOM 0 HE2 HIS A 98 -3.139 19.012 5.976 1.00 62.55 H new ATOM 1212 N HIS A 99 -4.220 17.478 11.831 1.00 11.45 N ATOM 1213 CA HIS A 99 -4.075 16.023 11.782 1.00 72.55 C ATOM 1214 C HIS A 99 -5.414 15.400 12.246 1.00 43.23 C ATOM 1215 O HIS A 99 -6.179 14.906 11.392 1.00 63.33 O ATOM 1216 CB HIS A 99 -2.879 15.563 12.664 1.00 50.22 C ATOM 1217 CG HIS A 99 -2.663 14.076 12.678 1.00 42.35 C ATOM 1218 ND1 HIS A 99 -2.081 13.397 11.636 1.00 5.44 N ATOM 1219 CD2 HIS A 99 -2.958 13.138 13.609 1.00 21.11 C ATOM 1220 CE1 HIS A 99 -2.029 12.114 11.918 1.00 54.35 C ATOM 1221 NE2 HIS A 99 -2.554 11.926 13.115 1.00 24.52 N ATOM 1222 OXT HIS A 99 -5.726 15.479 13.456 1.00 38.10 O ATOM 0 H HIS A 99 -5.016 17.787 12.389 1.00 11.45 H new ATOM 0 HA HIS A 99 -3.855 15.689 10.768 1.00 72.55 H new ATOM 0 HB2 HIS A 99 -1.970 16.048 12.307 1.00 50.22 H new ATOM 0 HB3 HIS A 99 -3.042 15.905 13.686 1.00 50.22 H new ATOM 0 HD2 HIS A 99 -3.426 13.313 14.566 1.00 21.11 H new ATOM 0 HE1 HIS A 99 -1.625 11.343 11.278 1.00 54.35 H new ATOM 0 HE2 HIS A 99 -2.644 11.029 13.592 1.00 24.52 H new TER 1231 HIS A 99