USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 18 MET CE :methyl 142:sc= -0.0113 (180deg=-0.229) USER MOD Set 1.2: A 86 GLN : amide:sc= -0.488 X(o=-0.5,f=-0.058) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.103 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0763 X(o=-0.076,f=0) USER MOD Single : A 3 MET CE :methyl 172:sc=-0.000647 (180deg=-0.106) USER MOD Single : A 4 ASN : amide:sc= 0.0877 K(o=0.088,f=-1.4) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0702 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -1.01 USER MOD Single : A 19 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 154:sc= -0.0046 (180deg=-0.116) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.933 K(o=0.93,f=-4.6!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0446) USER MOD Single : A 58 TYR OH : rot -107:sc= 0.107 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 148:sc= 1.88 USER MOD Single : A 74 THR OG1 : rot -35:sc= -0.233 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.279 F(o=-1.7,f=-0.28) USER MOD Single : A 88 SER OG : rot 95:sc= 0.0789 USER MOD Single : A 89 GLN : amide:sc= 0.336 K(o=0.34,f=-3.2!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.055 22.808 -4.678 1.00 63.44 N ATOM 2 CA GLY A 1 -12.467 22.572 -5.003 1.00 20.24 C ATOM 3 C GLY A 1 -12.589 21.950 -6.381 1.00 13.11 C ATOM 4 O GLY A 1 -11.643 21.323 -6.854 1.00 74.53 O ATOM 0 H1 GLY A 1 -10.828 22.358 -3.768 1.00 63.44 H new ATOM 0 H2 GLY A 1 -10.455 22.402 -5.424 1.00 63.44 H new ATOM 0 H3 GLY A 1 -10.880 23.831 -4.611 1.00 63.44 H new ATOM 0 HA2 GLY A 1 -12.914 21.914 -4.258 1.00 20.24 H new ATOM 0 HA3 GLY A 1 -13.018 23.512 -4.970 1.00 20.24 H new ATOM 8 N HIS A 2 -13.734 22.148 -7.048 1.00 10.03 N ATOM 9 CA HIS A 2 -14.069 21.558 -8.350 1.00 50.21 C ATOM 10 C HIS A 2 -13.214 22.151 -9.490 1.00 14.01 C ATOM 11 O HIS A 2 -13.724 22.912 -10.309 1.00 22.52 O ATOM 12 CB HIS A 2 -15.577 21.728 -8.646 1.00 13.42 C ATOM 13 CG HIS A 2 -16.555 21.184 -7.627 1.00 64.32 C ATOM 14 ND1 HIS A 2 -17.923 21.377 -7.665 1.00 1.00 N ATOM 15 CD2 HIS A 2 -16.285 20.361 -6.564 1.00 70.54 C ATOM 16 CE1 HIS A 2 -18.466 20.711 -6.631 1.00 43.33 C ATOM 17 NE2 HIS A 2 -17.504 20.090 -5.935 1.00 33.20 N ATOM 0 H HIS A 2 -14.477 22.744 -6.683 1.00 10.03 H new ATOM 0 HA HIS A 2 -13.840 20.494 -8.299 1.00 50.21 H new ATOM 0 HB2 HIS A 2 -15.778 22.792 -8.770 1.00 13.42 H new ATOM 0 HB3 HIS A 2 -15.788 21.250 -9.603 1.00 13.42 H new ATOM 0 HD2 HIS A 2 -15.314 19.992 -6.268 1.00 70.54 H new ATOM 0 HE1 HIS A 2 -19.520 20.681 -6.396 1.00 43.33 H new ATOM 0 HE2 HIS A 2 -17.637 19.522 -5.098 1.00 33.20 H new ATOM 24 N MET A 3 -11.909 21.856 -9.509 1.00 24.54 N ATOM 25 CA MET A 3 -11.002 22.005 -10.646 1.00 34.30 C ATOM 26 C MET A 3 -9.658 21.336 -10.325 1.00 62.23 C ATOM 27 O MET A 3 -9.098 20.626 -11.161 1.00 25.32 O ATOM 28 CB MET A 3 -10.754 23.491 -10.996 1.00 74.45 C ATOM 29 CG MET A 3 -10.176 23.661 -12.407 1.00 41.23 C ATOM 30 SD MET A 3 -11.238 23.089 -13.770 1.00 63.42 S ATOM 31 CE MET A 3 -12.686 24.168 -13.599 1.00 14.04 C ATOM 0 H MET A 3 -11.434 21.487 -8.685 1.00 24.54 H new ATOM 0 HA MET A 3 -11.472 21.527 -11.506 1.00 34.30 H new ATOM 0 HB2 MET A 3 -11.691 24.043 -10.919 1.00 74.45 H new ATOM 0 HB3 MET A 3 -10.068 23.925 -10.269 1.00 74.45 H new ATOM 0 HG2 MET A 3 -9.953 24.716 -12.563 1.00 41.23 H new ATOM 0 HG3 MET A 3 -9.229 23.124 -12.459 1.00 41.23 H new ATOM 0 HE1 MET A 3 -13.350 24.024 -14.452 1.00 14.04 H new ATOM 0 HE2 MET A 3 -13.217 23.921 -12.680 1.00 14.04 H new ATOM 0 HE3 MET A 3 -12.362 25.208 -13.563 1.00 14.04 H new ATOM 39 N ASN A 4 -9.112 21.602 -9.128 1.00 45.45 N ATOM 40 CA ASN A 4 -7.701 21.364 -8.806 1.00 44.45 C ATOM 41 C ASN A 4 -7.544 20.144 -7.897 1.00 35.31 C ATOM 42 O ASN A 4 -8.537 19.670 -7.339 1.00 11.32 O ATOM 43 CB ASN A 4 -7.092 22.630 -8.177 1.00 61.24 C ATOM 44 CG ASN A 4 -5.591 22.694 -8.436 1.00 21.22 C ATOM 45 OD1 ASN A 4 -4.793 22.058 -7.754 1.00 0.34 O ATOM 46 ND2 ASN A 4 -5.173 23.416 -9.460 1.00 75.51 N ATOM 0 H ASN A 4 -9.645 21.992 -8.351 1.00 45.45 H new ATOM 0 HA ASN A 4 -7.157 21.145 -9.725 1.00 44.45 H new ATOM 0 HB2 ASN A 4 -7.575 23.515 -8.590 1.00 61.24 H new ATOM 0 HB3 ASN A 4 -7.281 22.635 -7.104 1.00 61.24 H new ATOM 0 HD21 ASN A 4 -4.180 23.448 -9.690 1.00 75.51 H new ATOM 0 HD22 ASN A 4 -5.844 23.941 -10.021 1.00 75.51 H new ATOM 52 N LEU A 5 -6.324 19.634 -7.714 1.00 61.35 N ATOM 53 CA LEU A 5 -6.049 18.480 -6.860 1.00 1.12 C ATOM 54 C LEU A 5 -6.029 18.935 -5.395 1.00 13.31 C ATOM 55 O LEU A 5 -5.339 19.913 -5.080 1.00 34.14 O ATOM 56 CB LEU A 5 -4.699 17.854 -7.252 1.00 21.14 C ATOM 57 CG LEU A 5 -4.475 16.436 -6.686 1.00 52.11 C ATOM 58 CD1 LEU A 5 -5.219 15.356 -7.482 1.00 31.23 C ATOM 59 CD2 LEU A 5 -2.984 16.110 -6.761 1.00 51.11 C ATOM 0 H LEU A 5 -5.491 20.016 -8.161 1.00 61.35 H new ATOM 0 HA LEU A 5 -6.827 17.727 -6.988 1.00 1.12 H new ATOM 0 HB2 LEU A 5 -4.631 17.815 -8.339 1.00 21.14 H new ATOM 0 HB3 LEU A 5 -3.895 18.503 -6.905 1.00 21.14 H new ATOM 0 HG LEU A 5 -4.853 16.434 -5.664 1.00 52.11 H new ATOM 0 HD11 LEU A 5 -5.025 14.379 -7.039 1.00 31.23 H new ATOM 0 HD12 LEU A 5 -6.290 15.559 -7.458 1.00 31.23 H new ATOM 0 HD13 LEU A 5 -4.872 15.361 -8.515 1.00 31.23 H new ATOM 0 HD21 LEU A 5 -2.810 15.110 -6.364 1.00 51.11 H new ATOM 0 HD22 LEU A 5 -2.654 16.151 -7.799 1.00 51.11 H new ATOM 0 HD23 LEU A 5 -2.423 16.836 -6.173 1.00 51.11 H new ATOM 70 N THR A 6 -6.749 18.252 -4.501 1.00 43.32 N ATOM 71 CA THR A 6 -6.635 18.534 -3.071 1.00 12.24 C ATOM 72 C THR A 6 -5.213 18.162 -2.604 1.00 13.24 C ATOM 73 O THR A 6 -4.630 17.191 -3.105 1.00 51.33 O ATOM 74 CB THR A 6 -7.753 17.835 -2.256 1.00 23.32 C ATOM 75 OG1 THR A 6 -7.538 17.965 -0.864 1.00 73.41 O ATOM 76 CG2 THR A 6 -7.881 16.339 -2.525 1.00 34.20 C ATOM 0 H THR A 6 -7.408 17.510 -4.739 1.00 43.32 H new ATOM 0 HA THR A 6 -6.783 19.599 -2.891 1.00 12.24 H new ATOM 0 HB THR A 6 -8.663 18.340 -2.581 1.00 23.32 H new ATOM 0 HG1 THR A 6 -8.261 17.515 -0.378 1.00 73.41 H new ATOM 0 HG21 THR A 6 -8.685 15.927 -1.915 1.00 34.20 H new ATOM 0 HG22 THR A 6 -8.105 16.177 -3.579 1.00 34.20 H new ATOM 0 HG23 THR A 6 -6.944 15.842 -2.273 1.00 34.20 H new ATOM 84 N PRO A 7 -4.651 18.877 -1.613 1.00 75.21 N ATOM 85 CA PRO A 7 -3.413 18.473 -0.963 1.00 23.52 C ATOM 86 C PRO A 7 -3.545 17.155 -0.191 1.00 13.03 C ATOM 87 O PRO A 7 -2.527 16.635 0.260 1.00 0.04 O ATOM 88 CB PRO A 7 -3.037 19.630 -0.031 1.00 11.43 C ATOM 89 CG PRO A 7 -4.359 20.348 0.228 1.00 40.24 C ATOM 90 CD PRO A 7 -5.145 20.130 -1.058 1.00 23.51 C ATOM 0 HA PRO A 7 -2.640 18.280 -1.707 1.00 23.52 H new ATOM 0 HB2 PRO A 7 -2.593 19.267 0.896 1.00 11.43 H new ATOM 0 HB3 PRO A 7 -2.308 20.294 -0.495 1.00 11.43 H new ATOM 0 HG2 PRO A 7 -4.879 19.931 1.091 1.00 40.24 H new ATOM 0 HG3 PRO A 7 -4.206 21.408 0.429 1.00 40.24 H new ATOM 0 HD2 PRO A 7 -6.215 20.075 -0.858 1.00 23.51 H new ATOM 0 HD3 PRO A 7 -4.993 20.954 -1.755 1.00 23.51 H new ATOM 95 N GLU A 8 -4.752 16.623 0.017 1.00 75.31 N ATOM 96 CA GLU A 8 -5.001 15.378 0.726 1.00 12.34 C ATOM 97 C GLU A 8 -4.742 14.172 -0.187 1.00 40.12 C ATOM 98 O GLU A 8 -3.986 13.276 0.170 1.00 72.12 O ATOM 99 CB GLU A 8 -6.441 15.442 1.247 1.00 61.25 C ATOM 100 CG GLU A 8 -6.756 14.317 2.229 1.00 2.24 C ATOM 101 CD GLU A 8 -8.156 14.523 2.814 1.00 64.35 C ATOM 102 OE1 GLU A 8 -9.151 14.078 2.196 1.00 61.55 O ATOM 103 OE2 GLU A 8 -8.252 15.241 3.839 1.00 20.32 O ATOM 0 H GLU A 8 -5.608 17.067 -0.317 1.00 75.31 H new ATOM 0 HA GLU A 8 -4.321 15.251 1.568 1.00 12.34 H new ATOM 0 HB2 GLU A 8 -6.605 16.403 1.735 1.00 61.25 H new ATOM 0 HB3 GLU A 8 -7.132 15.390 0.405 1.00 61.25 H new ATOM 0 HG2 GLU A 8 -6.700 13.353 1.723 1.00 2.24 H new ATOM 0 HG3 GLU A 8 -6.015 14.301 3.029 1.00 2.24 H new ATOM 108 N GLU A 9 -5.310 14.170 -1.394 1.00 55.45 N ATOM 109 CA GLU A 9 -5.223 13.088 -2.369 1.00 74.53 C ATOM 110 C GLU A 9 -3.768 12.790 -2.722 1.00 64.22 C ATOM 111 O GLU A 9 -3.344 11.638 -2.674 1.00 43.01 O ATOM 112 CB GLU A 9 -6.061 13.490 -3.591 1.00 13.32 C ATOM 113 CG GLU A 9 -6.075 12.450 -4.720 1.00 53.22 C ATOM 114 CD GLU A 9 -7.188 12.678 -5.753 1.00 70.43 C ATOM 115 OE1 GLU A 9 -7.922 13.688 -5.625 1.00 73.23 O ATOM 116 OE2 GLU A 9 -7.363 11.874 -6.694 1.00 12.04 O ATOM 0 H GLU A 9 -5.866 14.956 -1.730 1.00 55.45 H new ATOM 0 HA GLU A 9 -5.622 12.161 -1.957 1.00 74.53 H new ATOM 0 HB2 GLU A 9 -7.086 13.673 -3.269 1.00 13.32 H new ATOM 0 HB3 GLU A 9 -5.678 14.431 -3.985 1.00 13.32 H new ATOM 0 HG2 GLU A 9 -5.111 12.465 -5.228 1.00 53.22 H new ATOM 0 HG3 GLU A 9 -6.191 11.457 -4.286 1.00 53.22 H new ATOM 121 N ARG A 10 -2.980 13.836 -3.008 1.00 11.33 N ATOM 122 CA ARG A 10 -1.553 13.664 -3.292 1.00 34.34 C ATOM 123 C ARG A 10 -0.777 13.098 -2.093 1.00 43.11 C ATOM 124 O ARG A 10 0.213 12.389 -2.262 1.00 52.34 O ATOM 125 CB ARG A 10 -0.945 14.916 -3.912 1.00 34.30 C ATOM 126 CG ARG A 10 -0.478 15.782 -2.780 1.00 11.43 C ATOM 127 CD ARG A 10 -0.331 17.228 -3.185 1.00 61.14 C ATOM 128 NE ARG A 10 0.403 17.955 -2.141 1.00 55.25 N ATOM 129 CZ ARG A 10 0.725 19.245 -2.191 1.00 13.30 C ATOM 130 NH1 ARG A 10 0.214 20.013 -3.146 1.00 24.23 N ATOM 131 NH2 ARG A 10 1.568 19.765 -1.303 1.00 21.23 N ATOM 0 H ARG A 10 -3.306 14.802 -3.048 1.00 11.33 H new ATOM 0 HA ARG A 10 -1.459 12.894 -4.058 1.00 34.34 H new ATOM 0 HB2 ARG A 10 -0.114 14.657 -4.568 1.00 34.30 H new ATOM 0 HB3 ARG A 10 -1.681 15.441 -4.521 1.00 34.30 H new ATOM 0 HG2 ARG A 10 -1.186 15.709 -1.954 1.00 11.43 H new ATOM 0 HG3 ARG A 10 0.479 15.411 -2.413 1.00 11.43 H new ATOM 0 HD2 ARG A 10 0.200 17.299 -4.134 1.00 61.14 H new ATOM 0 HD3 ARG A 10 -1.313 17.677 -3.334 1.00 61.14 H new ATOM 0 HE ARG A 10 0.688 17.430 -1.314 1.00 55.25 H new ATOM 0 HH11 ARG A 10 -0.422 19.613 -3.836 1.00 24.23 H new ATOM 0 HH12 ARG A 10 0.457 21.003 -3.189 1.00 24.23 H new ATOM 0 HH21 ARG A 10 1.973 19.174 -0.577 1.00 21.23 H new ATOM 0 HH22 ARG A 10 1.810 20.755 -1.348 1.00 21.23 H new ATOM 142 N ASP A 11 -1.211 13.437 -0.878 1.00 40.22 N ATOM 143 CA ASP A 11 -0.568 13.054 0.375 1.00 53.25 C ATOM 144 C ASP A 11 -0.739 11.554 0.561 1.00 31.43 C ATOM 145 O ASP A 11 0.133 10.896 1.127 1.00 2.13 O ATOM 146 CB ASP A 11 -1.236 13.793 1.553 1.00 74.13 C ATOM 147 CG ASP A 11 -0.295 14.644 2.403 1.00 0.00 C ATOM 148 OD1 ASP A 11 0.555 15.367 1.825 1.00 1.02 O ATOM 149 OD2 ASP A 11 -0.605 14.747 3.623 1.00 0.42 O ATOM 0 H ASP A 11 -2.047 14.004 -0.737 1.00 40.22 H new ATOM 0 HA ASP A 11 0.490 13.316 0.346 1.00 53.25 H new ATOM 0 HB2 ASP A 11 -2.024 14.435 1.159 1.00 74.13 H new ATOM 0 HB3 ASP A 11 -1.717 13.057 2.197 1.00 74.13 H new ATOM 153 N ALA A 12 -1.867 11.032 0.077 1.00 0.40 N ATOM 154 CA ALA A 12 -2.363 9.679 0.205 1.00 41.31 C ATOM 155 C ALA A 12 -1.897 8.774 -0.956 1.00 72.42 C ATOM 156 O ALA A 12 -2.588 7.817 -1.309 1.00 63.15 O ATOM 157 CB ALA A 12 -3.889 9.814 0.294 1.00 62.31 C ATOM 0 H ALA A 12 -2.511 11.609 -0.465 1.00 0.40 H new ATOM 0 HA ALA A 12 -1.967 9.184 1.091 1.00 41.31 H new ATOM 0 HB1 ALA A 12 -4.337 8.825 0.393 1.00 62.31 H new ATOM 0 HB2 ALA A 12 -4.151 10.419 1.162 1.00 62.31 H new ATOM 0 HB3 ALA A 12 -4.265 10.294 -0.610 1.00 62.31 H new ATOM 163 N ARG A 13 -0.747 9.076 -1.575 1.00 62.34 N ATOM 164 CA ARG A 13 -0.196 8.324 -2.708 1.00 51.21 C ATOM 165 C ARG A 13 0.090 6.852 -2.408 1.00 21.44 C ATOM 166 O ARG A 13 0.255 6.064 -3.338 1.00 75.34 O ATOM 167 CB ARG A 13 1.124 8.965 -3.178 1.00 24.40 C ATOM 168 CG ARG A 13 1.044 9.443 -4.628 1.00 14.02 C ATOM 169 CD ARG A 13 2.426 9.441 -5.284 1.00 73.45 C ATOM 170 NE ARG A 13 2.646 10.616 -6.137 1.00 55.13 N ATOM 171 CZ ARG A 13 3.836 11.162 -6.405 1.00 60.25 C ATOM 172 NH1 ARG A 13 4.965 10.642 -5.939 1.00 13.01 N ATOM 173 NH2 ARG A 13 3.912 12.262 -7.137 1.00 31.44 N ATOM 0 H ARG A 13 -0.164 9.865 -1.296 1.00 62.34 H new ATOM 0 HA ARG A 13 -0.969 8.363 -3.475 1.00 51.21 H new ATOM 0 HB2 ARG A 13 1.368 9.808 -2.531 1.00 24.40 H new ATOM 0 HB3 ARG A 13 1.934 8.242 -3.079 1.00 24.40 H new ATOM 0 HG2 ARG A 13 0.370 8.797 -5.191 1.00 14.02 H new ATOM 0 HG3 ARG A 13 0.624 10.448 -4.660 1.00 14.02 H new ATOM 0 HD2 ARG A 13 3.192 9.410 -4.509 1.00 73.45 H new ATOM 0 HD3 ARG A 13 2.540 8.536 -5.881 1.00 73.45 H new ATOM 0 HE ARG A 13 1.825 11.050 -6.559 1.00 55.13 H new ATOM 0 HH11 ARG A 13 4.939 9.803 -5.359 1.00 13.01 H new ATOM 0 HH12 ARG A 13 5.858 11.081 -6.161 1.00 13.01 H new ATOM 0 HH21 ARG A 13 3.061 12.694 -7.498 1.00 31.44 H new ATOM 0 HH22 ARG A 13 4.821 12.677 -7.341 1.00 31.44 H new ATOM 184 N THR A 14 0.275 6.499 -1.144 1.00 33.44 N ATOM 185 CA THR A 14 0.801 5.203 -0.762 1.00 4.53 C ATOM 186 C THR A 14 -0.382 4.254 -0.525 1.00 51.43 C ATOM 187 O THR A 14 -1.428 4.661 -0.014 1.00 61.12 O ATOM 188 CB THR A 14 1.710 5.438 0.454 1.00 63.25 C ATOM 189 OG1 THR A 14 2.674 6.423 0.140 1.00 51.14 O ATOM 190 CG2 THR A 14 2.485 4.221 0.922 1.00 74.05 C ATOM 0 H THR A 14 0.063 7.108 -0.354 1.00 33.44 H new ATOM 0 HA THR A 14 1.409 4.722 -1.528 1.00 4.53 H new ATOM 0 HB THR A 14 1.029 5.731 1.253 1.00 63.25 H new ATOM 0 HG1 THR A 14 3.253 6.574 0.917 1.00 51.14 H new ATOM 0 HG21 THR A 14 3.096 4.488 1.784 1.00 74.05 H new ATOM 0 HG22 THR A 14 1.788 3.431 1.203 1.00 74.05 H new ATOM 0 HG23 THR A 14 3.128 3.867 0.116 1.00 74.05 H new ATOM 198 N VAL A 15 -0.231 2.967 -0.845 1.00 41.34 N ATOM 199 CA VAL A 15 -1.298 1.983 -0.681 1.00 15.13 C ATOM 200 C VAL A 15 -0.922 1.076 0.484 1.00 32.34 C ATOM 201 O VAL A 15 0.200 0.588 0.559 1.00 53.51 O ATOM 202 CB VAL A 15 -1.639 1.260 -2.000 1.00 52.14 C ATOM 203 CG1 VAL A 15 -2.268 2.266 -2.978 1.00 10.22 C ATOM 204 CG2 VAL A 15 -0.466 0.566 -2.703 1.00 42.33 C ATOM 0 H VAL A 15 0.633 2.580 -1.224 1.00 41.34 H new ATOM 0 HA VAL A 15 -2.240 2.469 -0.428 1.00 15.13 H new ATOM 0 HB VAL A 15 -2.325 0.462 -1.715 1.00 52.14 H new ATOM 0 HG11 VAL A 15 -2.511 1.761 -3.913 1.00 10.22 H new ATOM 0 HG12 VAL A 15 -3.177 2.679 -2.541 1.00 10.22 H new ATOM 0 HG13 VAL A 15 -1.562 3.073 -3.175 1.00 10.22 H new ATOM 0 HG21 VAL A 15 -0.820 0.091 -3.618 1.00 42.33 H new ATOM 0 HG22 VAL A 15 0.298 1.303 -2.949 1.00 42.33 H new ATOM 0 HG23 VAL A 15 -0.042 -0.190 -2.042 1.00 42.33 H new ATOM 214 N PHE A 16 -1.821 0.963 1.459 1.00 15.20 N ATOM 215 CA PHE A 16 -1.647 0.223 2.693 1.00 62.03 C ATOM 216 C PHE A 16 -2.112 -1.211 2.485 1.00 23.40 C ATOM 217 O PHE A 16 -3.260 -1.460 2.120 1.00 30.41 O ATOM 218 CB PHE A 16 -2.459 0.884 3.817 1.00 53.45 C ATOM 219 CG PHE A 16 -2.401 0.220 5.179 1.00 61.34 C ATOM 220 CD1 PHE A 16 -1.237 -0.438 5.617 1.00 0.50 C ATOM 221 CD2 PHE A 16 -3.496 0.336 6.054 1.00 2.22 C ATOM 222 CE1 PHE A 16 -1.174 -0.993 6.900 1.00 75.23 C ATOM 223 CE2 PHE A 16 -3.426 -0.201 7.349 1.00 43.43 C ATOM 224 CZ PHE A 16 -2.270 -0.882 7.769 1.00 55.53 C ATOM 0 H PHE A 16 -2.736 1.411 1.400 1.00 15.20 H new ATOM 0 HA PHE A 16 -0.594 0.225 2.976 1.00 62.03 H new ATOM 0 HB2 PHE A 16 -2.116 1.913 3.925 1.00 53.45 H new ATOM 0 HB3 PHE A 16 -3.502 0.927 3.503 1.00 53.45 H new ATOM 0 HD1 PHE A 16 -0.385 -0.515 4.958 1.00 0.50 H new ATOM 0 HD2 PHE A 16 -4.394 0.840 5.728 1.00 2.22 H new ATOM 0 HE1 PHE A 16 -0.281 -1.507 7.222 1.00 75.23 H new ATOM 0 HE2 PHE A 16 -4.262 -0.091 8.024 1.00 43.43 H new ATOM 0 HZ PHE A 16 -2.226 -1.318 8.756 1.00 55.53 H new ATOM 233 N CYS A 17 -1.222 -2.151 2.763 1.00 11.24 N ATOM 234 CA CYS A 17 -1.413 -3.570 2.587 1.00 64.02 C ATOM 235 C CYS A 17 -1.464 -4.236 3.957 1.00 71.22 C ATOM 236 O CYS A 17 -0.445 -4.688 4.479 1.00 32.22 O ATOM 237 CB CYS A 17 -0.266 -4.109 1.741 1.00 12.32 C ATOM 238 SG CYS A 17 -0.225 -3.346 0.095 1.00 63.24 S ATOM 0 H CYS A 17 -0.300 -1.925 3.137 1.00 11.24 H new ATOM 0 HA CYS A 17 -2.351 -3.783 2.074 1.00 64.02 H new ATOM 0 HB2 CYS A 17 0.680 -3.924 2.251 1.00 12.32 H new ATOM 0 HB3 CYS A 17 -0.367 -5.189 1.638 1.00 12.32 H new ATOM 0 HG CYS A 17 0.769 -3.835 -0.585 1.00 63.24 H new ATOM 243 N MET A 18 -2.652 -4.270 4.559 1.00 70.45 N ATOM 244 CA MET A 18 -2.847 -4.689 5.945 1.00 72.02 C ATOM 245 C MET A 18 -3.156 -6.198 6.065 1.00 11.51 C ATOM 246 O MET A 18 -3.873 -6.593 6.986 1.00 73.25 O ATOM 247 CB MET A 18 -3.930 -3.783 6.578 1.00 42.35 C ATOM 248 CG MET A 18 -4.010 -3.845 8.116 1.00 0.54 C ATOM 249 SD MET A 18 -5.114 -2.653 8.922 1.00 12.42 S ATOM 250 CE MET A 18 -6.712 -3.124 8.212 1.00 44.25 C ATOM 0 H MET A 18 -3.518 -4.003 4.090 1.00 70.45 H new ATOM 0 HA MET A 18 -1.920 -4.563 6.504 1.00 72.02 H new ATOM 0 HB2 MET A 18 -3.740 -2.752 6.280 1.00 42.35 H new ATOM 0 HB3 MET A 18 -4.901 -4.060 6.167 1.00 42.35 H new ATOM 0 HG2 MET A 18 -4.327 -4.848 8.400 1.00 0.54 H new ATOM 0 HG3 MET A 18 -3.006 -3.703 8.515 1.00 0.54 H new ATOM 0 HE1 MET A 18 -7.487 -3.042 8.974 1.00 44.25 H new ATOM 0 HE2 MET A 18 -6.950 -2.462 7.380 1.00 44.25 H new ATOM 0 HE3 MET A 18 -6.662 -4.153 7.854 1.00 44.25 H new ATOM 258 N GLN A 19 -2.709 -7.069 5.144 1.00 22.44 N ATOM 259 CA GLN A 19 -3.123 -8.483 5.169 1.00 43.23 C ATOM 260 C GLN A 19 -2.064 -9.451 4.594 1.00 31.34 C ATOM 261 O GLN A 19 -2.398 -10.421 3.909 1.00 34.11 O ATOM 262 CB GLN A 19 -4.519 -8.593 4.512 1.00 62.01 C ATOM 263 CG GLN A 19 -5.295 -9.781 5.109 1.00 31.22 C ATOM 264 CD GLN A 19 -6.634 -10.119 4.455 1.00 42.43 C ATOM 265 OE1 GLN A 19 -7.238 -11.134 4.803 1.00 43.43 O ATOM 266 NE2 GLN A 19 -7.143 -9.347 3.504 1.00 70.23 N ATOM 0 H GLN A 19 -2.072 -6.825 4.385 1.00 22.44 H new ATOM 0 HA GLN A 19 -3.204 -8.816 6.204 1.00 43.23 H new ATOM 0 HB2 GLN A 19 -5.076 -7.670 4.668 1.00 62.01 H new ATOM 0 HB3 GLN A 19 -4.413 -8.723 3.435 1.00 62.01 H new ATOM 0 HG2 GLN A 19 -4.658 -10.664 5.059 1.00 31.22 H new ATOM 0 HG3 GLN A 19 -5.473 -9.576 6.165 1.00 31.22 H new ATOM 0 HE21 GLN A 19 -6.648 -8.505 3.211 1.00 70.23 H new ATOM 0 HE22 GLN A 19 -8.030 -9.596 3.066 1.00 70.23 H new ATOM 273 N LEU A 20 -0.778 -9.181 4.842 1.00 10.31 N ATOM 274 CA LEU A 20 0.331 -9.878 4.180 1.00 11.11 C ATOM 275 C LEU A 20 0.496 -11.325 4.657 1.00 54.13 C ATOM 276 O LEU A 20 0.210 -11.623 5.818 1.00 45.12 O ATOM 277 CB LEU A 20 1.660 -9.144 4.419 1.00 40.53 C ATOM 278 CG LEU A 20 1.646 -7.633 4.140 1.00 72.32 C ATOM 279 CD1 LEU A 20 3.077 -7.099 4.181 1.00 0.32 C ATOM 280 CD2 LEU A 20 1.017 -7.283 2.792 1.00 52.55 C ATOM 0 H LEU A 20 -0.476 -8.471 5.509 1.00 10.31 H new ATOM 0 HA LEU A 20 0.080 -9.888 3.119 1.00 11.11 H new ATOM 0 HB2 LEU A 20 1.959 -9.301 5.455 1.00 40.53 H new ATOM 0 HB3 LEU A 20 2.425 -9.603 3.793 1.00 40.53 H new ATOM 0 HG LEU A 20 1.033 -7.169 4.913 1.00 72.32 H new ATOM 0 HD11 LEU A 20 3.071 -6.027 3.983 1.00 0.32 H new ATOM 0 HD12 LEU A 20 3.506 -7.284 5.166 1.00 0.32 H new ATOM 0 HD13 LEU A 20 3.676 -7.604 3.423 1.00 0.32 H new ATOM 0 HD21 LEU A 20 1.036 -6.202 2.651 1.00 52.55 H new ATOM 0 HD22 LEU A 20 1.581 -7.763 1.992 1.00 52.55 H new ATOM 0 HD23 LEU A 20 -0.015 -7.634 2.770 1.00 52.55 H new ATOM 291 N ALA A 21 1.053 -12.203 3.807 1.00 72.23 N ATOM 292 CA ALA A 21 1.406 -13.566 4.204 1.00 70.45 C ATOM 293 C ALA A 21 2.708 -13.587 5.012 1.00 70.12 C ATOM 294 O ALA A 21 3.582 -12.727 4.846 1.00 62.01 O ATOM 295 CB ALA A 21 1.554 -14.503 3.000 1.00 10.22 C ATOM 0 H ALA A 21 1.268 -11.986 2.834 1.00 72.23 H new ATOM 0 HA ALA A 21 0.583 -13.924 4.822 1.00 70.45 H new ATOM 0 HB1 ALA A 21 1.816 -15.502 3.347 1.00 10.22 H new ATOM 0 HB2 ALA A 21 0.612 -14.544 2.453 1.00 10.22 H new ATOM 0 HB3 ALA A 21 2.339 -14.129 2.343 1.00 10.22 H new ATOM 301 N ALA A 22 2.893 -14.651 5.796 1.00 33.43 N ATOM 302 CA ALA A 22 4.063 -14.851 6.643 1.00 61.12 C ATOM 303 C ALA A 22 5.387 -14.946 5.874 1.00 52.35 C ATOM 304 O ALA A 22 6.445 -14.818 6.493 1.00 15.13 O ATOM 305 CB ALA A 22 3.857 -16.113 7.481 1.00 24.21 C ATOM 0 H ALA A 22 2.217 -15.412 5.859 1.00 33.43 H new ATOM 0 HA ALA A 22 4.150 -13.966 7.273 1.00 61.12 H new ATOM 0 HB1 ALA A 22 4.727 -16.272 8.119 1.00 24.21 H new ATOM 0 HB2 ALA A 22 2.968 -15.997 8.102 1.00 24.21 H new ATOM 0 HB3 ALA A 22 3.729 -16.971 6.821 1.00 24.21 H new ATOM 311 N ARG A 23 5.382 -15.159 4.553 1.00 51.45 N ATOM 312 CA ARG A 23 6.593 -15.303 3.728 1.00 14.41 C ATOM 313 C ARG A 23 6.576 -14.335 2.541 1.00 40.24 C ATOM 314 O ARG A 23 7.076 -14.647 1.461 1.00 0.31 O ATOM 315 CB ARG A 23 6.772 -16.787 3.337 1.00 12.50 C ATOM 316 CG ARG A 23 8.226 -17.294 3.349 1.00 43.42 C ATOM 317 CD ARG A 23 9.077 -16.865 2.152 1.00 4.54 C ATOM 318 NE ARG A 23 10.378 -17.564 2.162 1.00 52.35 N ATOM 319 CZ ARG A 23 10.945 -18.211 1.134 1.00 64.15 C ATOM 320 NH1 ARG A 23 10.347 -18.276 -0.050 1.00 44.24 N ATOM 321 NH2 ARG A 23 12.114 -18.824 1.276 1.00 22.11 N ATOM 0 H ARG A 23 4.520 -15.238 4.014 1.00 51.45 H new ATOM 0 HA ARG A 23 7.475 -15.020 4.303 1.00 14.41 H new ATOM 0 HB2 ARG A 23 6.184 -17.400 4.020 1.00 12.50 H new ATOM 0 HB3 ARG A 23 6.360 -16.936 2.339 1.00 12.50 H new ATOM 0 HG2 ARG A 23 8.708 -16.943 4.261 1.00 43.42 H new ATOM 0 HG3 ARG A 23 8.214 -18.383 3.394 1.00 43.42 H new ATOM 0 HD2 ARG A 23 8.547 -17.084 1.225 1.00 4.54 H new ATOM 0 HD3 ARG A 23 9.237 -15.787 2.180 1.00 4.54 H new ATOM 0 HE ARG A 23 10.897 -17.553 3.040 1.00 52.35 H new ATOM 0 HH11 ARG A 23 9.441 -17.829 -0.189 1.00 44.24 H new ATOM 0 HH12 ARG A 23 10.794 -18.773 -0.821 1.00 44.24 H new ATOM 0 HH21 ARG A 23 12.593 -18.807 2.176 1.00 22.11 H new ATOM 0 HH22 ARG A 23 12.533 -19.312 0.485 1.00 22.11 H new ATOM 332 N ILE A 24 5.947 -13.168 2.693 1.00 14.21 N ATOM 333 CA ILE A 24 6.044 -12.092 1.715 1.00 55.55 C ATOM 334 C ILE A 24 7.507 -11.642 1.577 1.00 51.31 C ATOM 335 O ILE A 24 8.231 -11.594 2.572 1.00 12.20 O ATOM 336 CB ILE A 24 5.105 -10.937 2.125 1.00 21.23 C ATOM 337 CG1 ILE A 24 5.023 -9.888 1.001 1.00 52.54 C ATOM 338 CG2 ILE A 24 5.476 -10.251 3.452 1.00 54.53 C ATOM 339 CD1 ILE A 24 3.596 -9.704 0.519 1.00 12.43 C ATOM 0 H ILE A 24 5.359 -12.946 3.496 1.00 14.21 H new ATOM 0 HA ILE A 24 5.723 -12.442 0.734 1.00 55.55 H new ATOM 0 HB ILE A 24 4.132 -11.400 2.288 1.00 21.23 H new ATOM 0 HG12 ILE A 24 5.413 -8.936 1.361 1.00 52.54 H new ATOM 0 HG13 ILE A 24 5.654 -10.196 0.167 1.00 52.54 H new ATOM 0 HG21 ILE A 24 4.763 -9.453 3.661 1.00 54.53 H new ATOM 0 HG22 ILE A 24 5.449 -10.982 4.260 1.00 54.53 H new ATOM 0 HG23 ILE A 24 6.479 -9.831 3.377 1.00 54.53 H new ATOM 0 HD11 ILE A 24 3.573 -8.957 -0.274 1.00 12.43 H new ATOM 0 HD12 ILE A 24 3.216 -10.651 0.136 1.00 12.43 H new ATOM 0 HD13 ILE A 24 2.972 -9.371 1.348 1.00 12.43 H new ATOM 350 N ARG A 25 7.946 -11.274 0.376 1.00 3.30 N ATOM 351 CA ARG A 25 9.145 -10.462 0.158 1.00 33.00 C ATOM 352 C ARG A 25 8.750 -9.000 -0.028 1.00 32.42 C ATOM 353 O ARG A 25 7.656 -8.742 -0.522 1.00 54.54 O ATOM 354 CB ARG A 25 9.866 -10.935 -1.111 1.00 64.23 C ATOM 355 CG ARG A 25 10.684 -12.196 -0.835 1.00 62.35 C ATOM 356 CD ARG A 25 11.469 -12.585 -2.087 1.00 12.21 C ATOM 357 NE ARG A 25 12.298 -13.765 -1.830 1.00 31.03 N ATOM 358 CZ ARG A 25 11.954 -15.040 -2.036 1.00 51.42 C ATOM 359 NH1 ARG A 25 10.741 -15.367 -2.473 1.00 33.33 N ATOM 360 NH2 ARG A 25 12.847 -15.985 -1.785 1.00 72.34 N ATOM 0 H ARG A 25 7.472 -11.535 -0.489 1.00 3.30 H new ATOM 0 HA ARG A 25 9.801 -10.565 1.022 1.00 33.00 H new ATOM 0 HB2 ARG A 25 9.136 -11.134 -1.896 1.00 64.23 H new ATOM 0 HB3 ARG A 25 10.521 -10.145 -1.478 1.00 64.23 H new ATOM 0 HG2 ARG A 25 11.368 -12.023 -0.004 1.00 62.35 H new ATOM 0 HG3 ARG A 25 10.024 -13.012 -0.540 1.00 62.35 H new ATOM 0 HD2 ARG A 25 10.780 -12.790 -2.906 1.00 12.21 H new ATOM 0 HD3 ARG A 25 12.099 -11.753 -2.401 1.00 12.21 H new ATOM 0 HE ARG A 25 13.232 -13.597 -1.456 1.00 31.03 H new ATOM 0 HH11 ARG A 25 10.052 -14.638 -2.658 1.00 33.33 H new ATOM 0 HH12 ARG A 25 10.500 -16.347 -2.623 1.00 33.33 H new ATOM 0 HH21 ARG A 25 13.774 -15.733 -1.442 1.00 72.34 H new ATOM 0 HH22 ARG A 25 12.608 -16.965 -1.934 1.00 72.34 H new ATOM 371 N PRO A 26 9.667 -8.043 0.198 1.00 62.04 N ATOM 372 CA PRO A 26 9.418 -6.641 -0.126 1.00 21.33 C ATOM 373 C PRO A 26 9.083 -6.435 -1.610 1.00 61.12 C ATOM 374 O PRO A 26 8.257 -5.582 -1.940 1.00 11.23 O ATOM 375 CB PRO A 26 10.684 -5.885 0.299 1.00 21.01 C ATOM 376 CG PRO A 26 11.769 -6.957 0.354 1.00 40.53 C ATOM 377 CD PRO A 26 11.000 -8.211 0.760 1.00 62.34 C ATOM 0 HA PRO A 26 8.541 -6.265 0.402 1.00 21.33 H new ATOM 0 HB2 PRO A 26 10.937 -5.101 -0.415 1.00 21.01 H new ATOM 0 HB3 PRO A 26 10.552 -5.403 1.268 1.00 21.01 H new ATOM 0 HG2 PRO A 26 12.261 -7.081 -0.610 1.00 40.53 H new ATOM 0 HG3 PRO A 26 12.545 -6.708 1.078 1.00 40.53 H new ATOM 0 HD2 PRO A 26 11.480 -9.110 0.372 1.00 62.34 H new ATOM 0 HD3 PRO A 26 10.960 -8.314 1.844 1.00 62.34 H new ATOM 382 N ARG A 27 9.692 -7.217 -2.511 1.00 24.13 N ATOM 383 CA ARG A 27 9.428 -7.113 -3.941 1.00 42.43 C ATOM 384 C ARG A 27 8.003 -7.552 -4.302 1.00 51.53 C ATOM 385 O ARG A 27 7.458 -7.061 -5.279 1.00 0.44 O ATOM 386 CB ARG A 27 10.516 -7.867 -4.735 1.00 22.42 C ATOM 387 CG ARG A 27 10.496 -7.478 -6.223 1.00 35.42 C ATOM 388 CD ARG A 27 11.678 -7.994 -7.065 1.00 35.01 C ATOM 389 NE ARG A 27 12.969 -7.361 -6.734 1.00 2.41 N ATOM 390 CZ ARG A 27 13.301 -6.067 -6.833 1.00 24.34 C ATOM 391 NH1 ARG A 27 12.468 -5.169 -7.349 1.00 21.22 N ATOM 392 NH2 ARG A 27 14.498 -5.685 -6.411 1.00 72.33 N ATOM 0 H ARG A 27 10.376 -7.933 -2.266 1.00 24.13 H new ATOM 0 HA ARG A 27 9.481 -6.063 -4.228 1.00 42.43 H new ATOM 0 HB2 ARG A 27 11.496 -7.645 -4.313 1.00 22.42 H new ATOM 0 HB3 ARG A 27 10.362 -8.942 -4.636 1.00 22.42 H new ATOM 0 HG2 ARG A 27 9.571 -7.849 -6.664 1.00 35.42 H new ATOM 0 HG3 ARG A 27 10.470 -6.391 -6.295 1.00 35.42 H new ATOM 0 HD2 ARG A 27 11.767 -9.072 -6.927 1.00 35.01 H new ATOM 0 HD3 ARG A 27 11.461 -7.825 -8.120 1.00 35.01 H new ATOM 0 HE ARG A 27 13.698 -7.985 -6.387 1.00 2.41 H new ATOM 0 HH11 ARG A 27 11.549 -5.459 -7.682 1.00 21.22 H new ATOM 0 HH12 ARG A 27 12.748 -4.190 -7.412 1.00 21.22 H new ATOM 0 HH21 ARG A 27 15.144 -6.371 -6.021 1.00 72.33 H new ATOM 0 HH22 ARG A 27 14.773 -4.705 -6.476 1.00 72.33 H new ATOM 403 N ASP A 28 7.353 -8.419 -3.521 1.00 15.50 N ATOM 404 CA ASP A 28 6.034 -8.956 -3.895 1.00 62.13 C ATOM 405 C ASP A 28 4.983 -7.850 -3.987 1.00 42.53 C ATOM 406 O ASP A 28 4.050 -7.933 -4.790 1.00 50.13 O ATOM 407 CB ASP A 28 5.534 -9.973 -2.860 1.00 64.34 C ATOM 408 CG ASP A 28 6.332 -11.281 -2.826 1.00 63.35 C ATOM 409 OD1 ASP A 28 7.038 -11.648 -3.790 1.00 43.53 O ATOM 410 OD2 ASP A 28 6.263 -11.999 -1.798 1.00 3.31 O ATOM 0 H ASP A 28 7.712 -8.765 -2.631 1.00 15.50 H new ATOM 0 HA ASP A 28 6.166 -9.432 -4.867 1.00 62.13 H new ATOM 0 HB2 ASP A 28 5.567 -9.515 -1.872 1.00 64.34 H new ATOM 0 HB3 ASP A 28 4.489 -10.203 -3.069 1.00 64.34 H new ATOM 414 N LEU A 29 5.123 -6.819 -3.146 1.00 54.22 N ATOM 415 CA LEU A 29 4.160 -5.736 -3.052 1.00 4.40 C ATOM 416 C LEU A 29 4.174 -4.899 -4.316 1.00 62.41 C ATOM 417 O LEU A 29 3.118 -4.479 -4.776 1.00 23.03 O ATOM 418 CB LEU A 29 4.446 -4.825 -1.845 1.00 22.42 C ATOM 419 CG LEU A 29 4.201 -5.413 -0.443 1.00 21.43 C ATOM 420 CD1 LEU A 29 2.923 -6.256 -0.384 1.00 35.01 C ATOM 421 CD2 LEU A 29 5.387 -6.231 0.071 1.00 34.12 C ATOM 0 H LEU A 29 5.915 -6.720 -2.511 1.00 54.22 H new ATOM 0 HA LEU A 29 3.178 -6.192 -2.921 1.00 4.40 H new ATOM 0 HB2 LEU A 29 5.487 -4.508 -1.901 1.00 22.42 H new ATOM 0 HB3 LEU A 29 3.834 -3.929 -1.946 1.00 22.42 H new ATOM 0 HG LEU A 29 4.078 -4.552 0.214 1.00 21.43 H new ATOM 0 HD11 LEU A 29 2.793 -6.649 0.624 1.00 35.01 H new ATOM 0 HD12 LEU A 29 2.066 -5.636 -0.645 1.00 35.01 H new ATOM 0 HD13 LEU A 29 3.000 -7.084 -1.089 1.00 35.01 H new ATOM 0 HD21 LEU A 29 5.158 -6.621 1.063 1.00 34.12 H new ATOM 0 HD22 LEU A 29 5.579 -7.061 -0.609 1.00 34.12 H new ATOM 0 HD23 LEU A 29 6.271 -5.595 0.126 1.00 34.12 H new ATOM 432 N GLU A 30 5.360 -4.625 -4.851 1.00 74.44 N ATOM 433 CA GLU A 30 5.485 -3.847 -6.068 1.00 61.44 C ATOM 434 C GLU A 30 5.128 -4.704 -7.283 1.00 43.34 C ATOM 435 O GLU A 30 4.403 -4.241 -8.162 1.00 1.42 O ATOM 436 CB GLU A 30 6.863 -3.169 -6.184 1.00 22.10 C ATOM 437 CG GLU A 30 8.055 -3.972 -5.660 1.00 4.42 C ATOM 438 CD GLU A 30 9.429 -3.349 -5.913 1.00 22.23 C ATOM 439 OE1 GLU A 30 9.602 -2.595 -6.897 1.00 55.21 O ATOM 440 OE2 GLU A 30 10.363 -3.625 -5.119 1.00 0.22 O ATOM 0 H GLU A 30 6.248 -4.934 -4.455 1.00 74.44 H new ATOM 0 HA GLU A 30 4.767 -3.027 -6.030 1.00 61.44 H new ATOM 0 HB2 GLU A 30 7.042 -2.934 -7.233 1.00 22.10 H new ATOM 0 HB3 GLU A 30 6.825 -2.221 -5.647 1.00 22.10 H new ATOM 0 HG2 GLU A 30 7.932 -4.114 -4.586 1.00 4.42 H new ATOM 0 HG3 GLU A 30 8.034 -4.961 -6.117 1.00 4.42 H new ATOM 445 N GLU A 31 5.550 -5.971 -7.301 1.00 62.02 N ATOM 446 CA GLU A 31 5.326 -6.910 -8.398 1.00 30.23 C ATOM 447 C GLU A 31 3.842 -7.050 -8.735 1.00 31.32 C ATOM 448 O GLU A 31 3.462 -7.028 -9.908 1.00 10.22 O ATOM 449 CB GLU A 31 5.882 -8.281 -8.007 1.00 25.30 C ATOM 450 CG GLU A 31 7.411 -8.335 -8.049 1.00 2.54 C ATOM 451 CD GLU A 31 7.940 -9.020 -9.299 1.00 32.02 C ATOM 452 OE1 GLU A 31 7.789 -10.266 -9.382 1.00 45.44 O ATOM 453 OE2 GLU A 31 8.533 -8.333 -10.162 1.00 51.23 O ATOM 0 H GLU A 31 6.073 -6.382 -6.528 1.00 62.02 H new ATOM 0 HA GLU A 31 5.836 -6.523 -9.280 1.00 30.23 H new ATOM 0 HB2 GLU A 31 5.542 -8.533 -7.003 1.00 25.30 H new ATOM 0 HB3 GLU A 31 5.478 -9.037 -8.680 1.00 25.30 H new ATOM 0 HG2 GLU A 31 7.808 -7.321 -8.000 1.00 2.54 H new ATOM 0 HG3 GLU A 31 7.776 -8.863 -7.168 1.00 2.54 H new ATOM 458 N PHE A 32 2.987 -7.166 -7.713 1.00 30.24 N ATOM 459 CA PHE A 32 1.542 -7.254 -7.902 1.00 13.52 C ATOM 460 C PHE A 32 1.019 -6.079 -8.731 1.00 45.24 C ATOM 461 O PHE A 32 0.213 -6.278 -9.644 1.00 11.43 O ATOM 462 CB PHE A 32 0.848 -7.318 -6.540 1.00 44.25 C ATOM 463 CG PHE A 32 -0.655 -7.484 -6.614 1.00 5.12 C ATOM 464 CD1 PHE A 32 -1.240 -8.317 -7.586 1.00 2.33 C ATOM 465 CD2 PHE A 32 -1.488 -6.805 -5.708 1.00 72.02 C ATOM 466 CE1 PHE A 32 -2.630 -8.473 -7.655 1.00 54.44 C ATOM 467 CE2 PHE A 32 -2.883 -6.961 -5.775 1.00 1.21 C ATOM 468 CZ PHE A 32 -3.459 -7.793 -6.748 1.00 72.15 C ATOM 0 H PHE A 32 3.280 -7.201 -6.737 1.00 30.24 H new ATOM 0 HA PHE A 32 1.317 -8.165 -8.456 1.00 13.52 H new ATOM 0 HB2 PHE A 32 1.266 -8.148 -5.971 1.00 44.25 H new ATOM 0 HB3 PHE A 32 1.074 -6.407 -5.987 1.00 44.25 H new ATOM 0 HD1 PHE A 32 -0.609 -8.843 -8.287 1.00 2.33 H new ATOM 0 HD2 PHE A 32 -1.054 -6.161 -4.957 1.00 72.02 H new ATOM 0 HE1 PHE A 32 -3.065 -9.116 -8.406 1.00 54.44 H new ATOM 0 HE2 PHE A 32 -3.516 -6.438 -5.074 1.00 1.21 H new ATOM 0 HZ PHE A 32 -4.532 -7.909 -6.799 1.00 72.15 H new ATOM 477 N PHE A 33 1.501 -4.867 -8.465 1.00 72.45 N ATOM 478 CA PHE A 33 1.040 -3.655 -9.129 1.00 10.20 C ATOM 479 C PHE A 33 1.812 -3.364 -10.426 1.00 70.14 C ATOM 480 O PHE A 33 1.393 -2.521 -11.222 1.00 73.41 O ATOM 481 CB PHE A 33 1.172 -2.486 -8.146 1.00 10.42 C ATOM 482 CG PHE A 33 0.508 -2.661 -6.788 1.00 34.21 C ATOM 483 CD1 PHE A 33 -0.772 -3.241 -6.674 1.00 50.44 C ATOM 484 CD2 PHE A 33 1.164 -2.212 -5.626 1.00 73.03 C ATOM 485 CE1 PHE A 33 -1.370 -3.395 -5.414 1.00 31.10 C ATOM 486 CE2 PHE A 33 0.556 -2.355 -4.367 1.00 25.30 C ATOM 487 CZ PHE A 33 -0.710 -2.950 -4.257 1.00 3.22 C ATOM 0 H PHE A 33 2.232 -4.699 -7.773 1.00 72.45 H new ATOM 0 HA PHE A 33 -0.001 -3.793 -9.420 1.00 10.20 H new ATOM 0 HB2 PHE A 33 2.233 -2.294 -7.985 1.00 10.42 H new ATOM 0 HB3 PHE A 33 0.755 -1.596 -8.617 1.00 10.42 H new ATOM 0 HD1 PHE A 33 -1.295 -3.568 -7.561 1.00 50.44 H new ATOM 0 HD2 PHE A 33 2.140 -1.755 -5.703 1.00 73.03 H new ATOM 0 HE1 PHE A 33 -2.342 -3.858 -5.334 1.00 31.10 H new ATOM 0 HE2 PHE A 33 1.065 -2.006 -3.481 1.00 25.30 H new ATOM 0 HZ PHE A 33 -1.174 -3.065 -3.289 1.00 3.22 H new ATOM 496 N SER A 34 2.924 -4.056 -10.675 1.00 54.41 N ATOM 497 CA SER A 34 3.831 -3.856 -11.801 1.00 11.34 C ATOM 498 C SER A 34 3.159 -4.190 -13.140 1.00 34.43 C ATOM 499 O SER A 34 3.663 -3.824 -14.202 1.00 74.15 O ATOM 500 CB SER A 34 5.084 -4.709 -11.555 1.00 74.45 C ATOM 501 OG SER A 34 6.206 -4.267 -12.293 1.00 22.44 O ATOM 0 H SER A 34 3.231 -4.811 -10.062 1.00 54.41 H new ATOM 0 HA SER A 34 4.112 -2.805 -11.869 1.00 11.34 H new ATOM 0 HB2 SER A 34 5.325 -4.692 -10.492 1.00 74.45 H new ATOM 0 HB3 SER A 34 4.869 -5.745 -11.817 1.00 74.45 H new ATOM 0 HG SER A 34 6.974 -4.844 -12.097 1.00 22.44 H new ATOM 506 N THR A 35 1.995 -4.845 -13.117 1.00 4.40 N ATOM 507 CA THR A 35 1.189 -5.094 -14.302 1.00 11.43 C ATOM 508 C THR A 35 0.792 -3.767 -14.980 1.00 71.42 C ATOM 509 O THR A 35 0.704 -3.710 -16.209 1.00 11.43 O ATOM 510 CB THR A 35 0.036 -6.045 -13.912 1.00 2.50 C ATOM 511 OG1 THR A 35 -0.585 -6.659 -15.023 1.00 32.43 O ATOM 512 CG2 THR A 35 -1.040 -5.438 -13.023 1.00 50.21 C ATOM 0 H THR A 35 1.586 -5.220 -12.261 1.00 4.40 H new ATOM 0 HA THR A 35 1.748 -5.611 -15.082 1.00 11.43 H new ATOM 0 HB THR A 35 0.556 -6.799 -13.321 1.00 2.50 H new ATOM 0 HG1 THR A 35 -1.303 -7.249 -14.712 1.00 32.43 H new ATOM 0 HG21 THR A 35 -1.801 -6.188 -12.809 1.00 50.21 H new ATOM 0 HG22 THR A 35 -0.592 -5.099 -12.089 1.00 50.21 H new ATOM 0 HG23 THR A 35 -1.499 -4.591 -13.534 1.00 50.21 H new ATOM 520 N VAL A 36 0.615 -2.675 -14.223 1.00 62.24 N ATOM 521 CA VAL A 36 0.094 -1.404 -14.754 1.00 32.12 C ATOM 522 C VAL A 36 0.791 -0.170 -14.154 1.00 51.22 C ATOM 523 O VAL A 36 0.271 0.948 -14.266 1.00 23.24 O ATOM 524 CB VAL A 36 -1.445 -1.341 -14.586 1.00 25.22 C ATOM 525 CG1 VAL A 36 -2.166 -2.247 -15.588 1.00 2.40 C ATOM 526 CG2 VAL A 36 -1.900 -1.668 -13.158 1.00 70.15 C ATOM 0 H VAL A 36 0.828 -2.646 -13.226 1.00 62.24 H new ATOM 0 HA VAL A 36 0.325 -1.378 -15.819 1.00 32.12 H new ATOM 0 HB VAL A 36 -1.721 -0.307 -14.792 1.00 25.22 H new ATOM 0 HG11 VAL A 36 -3.243 -2.173 -15.436 1.00 2.40 H new ATOM 0 HG12 VAL A 36 -1.921 -1.935 -16.603 1.00 2.40 H new ATOM 0 HG13 VAL A 36 -1.849 -3.279 -15.439 1.00 2.40 H new ATOM 0 HG21 VAL A 36 -2.987 -1.608 -13.100 1.00 70.15 H new ATOM 0 HG22 VAL A 36 -1.577 -2.675 -12.895 1.00 70.15 H new ATOM 0 HG23 VAL A 36 -1.460 -0.953 -12.463 1.00 70.15 H new ATOM 536 N GLY A 37 1.962 -0.319 -13.531 1.00 14.21 N ATOM 537 CA GLY A 37 2.616 0.813 -12.899 1.00 11.22 C ATOM 538 C GLY A 37 4.089 0.584 -12.618 1.00 65.54 C ATOM 539 O GLY A 37 4.610 -0.508 -12.854 1.00 70.33 O ATOM 0 H GLY A 37 2.466 -1.203 -13.454 1.00 14.21 H new ATOM 0 HA2 GLY A 37 2.509 1.688 -13.540 1.00 11.22 H new ATOM 0 HA3 GLY A 37 2.107 1.040 -11.962 1.00 11.22 H new ATOM 543 N LYS A 38 4.760 1.637 -12.145 1.00 34.41 N ATOM 544 CA LYS A 38 6.189 1.649 -11.833 1.00 11.31 C ATOM 545 C LYS A 38 6.452 2.146 -10.414 1.00 31.52 C ATOM 546 O LYS A 38 7.225 3.065 -10.190 1.00 33.34 O ATOM 547 CB LYS A 38 6.961 2.419 -12.909 1.00 71.53 C ATOM 548 CG LYS A 38 6.621 3.919 -13.032 1.00 52.14 C ATOM 549 CD LYS A 38 7.913 4.728 -12.911 1.00 31.54 C ATOM 550 CE LYS A 38 7.632 6.244 -12.869 1.00 54.35 C ATOM 551 NZ LYS A 38 7.409 6.839 -14.206 1.00 63.52 N ATOM 0 H LYS A 38 4.308 2.533 -11.963 1.00 34.41 H new ATOM 0 HA LYS A 38 6.564 0.626 -11.850 1.00 11.31 H new ATOM 0 HB2 LYS A 38 8.027 2.323 -12.704 1.00 71.53 H new ATOM 0 HB3 LYS A 38 6.777 1.943 -13.872 1.00 71.53 H new ATOM 0 HG2 LYS A 38 6.138 4.119 -13.988 1.00 52.14 H new ATOM 0 HG3 LYS A 38 5.918 4.212 -12.252 1.00 52.14 H new ATOM 0 HD2 LYS A 38 8.446 4.431 -12.008 1.00 31.54 H new ATOM 0 HD3 LYS A 38 8.565 4.502 -13.755 1.00 31.54 H new ATOM 0 HE2 LYS A 38 6.755 6.426 -12.248 1.00 54.35 H new ATOM 0 HE3 LYS A 38 8.472 6.748 -12.391 1.00 54.35 H new ATOM 0 HZ1 LYS A 38 7.226 7.858 -14.106 1.00 63.52 H new ATOM 0 HZ2 LYS A 38 8.254 6.695 -14.795 1.00 63.52 H new ATOM 0 HZ3 LYS A 38 6.590 6.383 -14.657 1.00 63.52 H new ATOM 561 N VAL A 39 5.772 1.553 -9.448 1.00 22.21 N ATOM 562 CA VAL A 39 5.795 1.855 -8.016 1.00 63.25 C ATOM 563 C VAL A 39 7.231 2.073 -7.544 1.00 24.52 C ATOM 564 O VAL A 39 8.146 1.304 -7.855 1.00 62.24 O ATOM 565 CB VAL A 39 5.007 0.775 -7.259 1.00 44.21 C ATOM 566 CG1 VAL A 39 5.345 -0.649 -7.674 1.00 63.22 C ATOM 567 CG2 VAL A 39 5.193 0.807 -5.741 1.00 62.44 C ATOM 0 H VAL A 39 5.135 0.784 -9.656 1.00 22.21 H new ATOM 0 HA VAL A 39 5.290 2.796 -7.799 1.00 63.25 H new ATOM 0 HB VAL A 39 3.982 1.029 -7.530 1.00 44.21 H new ATOM 0 HG11 VAL A 39 4.746 -1.349 -7.092 1.00 63.22 H new ATOM 0 HG12 VAL A 39 5.129 -0.780 -8.734 1.00 63.22 H new ATOM 0 HG13 VAL A 39 6.403 -0.839 -7.493 1.00 63.22 H new ATOM 0 HG21 VAL A 39 4.602 0.012 -5.285 1.00 62.44 H new ATOM 0 HG22 VAL A 39 6.246 0.660 -5.500 1.00 62.44 H new ATOM 0 HG23 VAL A 39 4.863 1.771 -5.354 1.00 62.44 H new ATOM 577 N ARG A 40 7.418 3.230 -6.905 1.00 63.41 N ATOM 578 CA ARG A 40 8.709 3.876 -6.749 1.00 15.32 C ATOM 579 C ARG A 40 9.542 3.066 -5.778 1.00 40.45 C ATOM 580 O ARG A 40 10.698 2.764 -6.081 1.00 13.40 O ATOM 581 CB ARG A 40 8.486 5.305 -6.238 1.00 53.44 C ATOM 582 CG ARG A 40 9.768 6.144 -6.089 1.00 4.10 C ATOM 583 CD ARG A 40 10.166 6.858 -7.389 1.00 51.11 C ATOM 584 NE ARG A 40 10.239 8.317 -7.193 1.00 60.33 N ATOM 585 CZ ARG A 40 11.313 9.012 -6.798 1.00 15.42 C ATOM 586 NH1 ARG A 40 12.478 8.416 -6.591 1.00 34.43 N ATOM 587 NH2 ARG A 40 11.220 10.317 -6.592 1.00 2.32 N ATOM 0 H ARG A 40 6.654 3.750 -6.474 1.00 63.41 H new ATOM 0 HA ARG A 40 9.240 3.929 -7.699 1.00 15.32 H new ATOM 0 HB2 ARG A 40 7.810 5.819 -6.921 1.00 53.44 H new ATOM 0 HB3 ARG A 40 7.986 5.256 -5.271 1.00 53.44 H new ATOM 0 HG2 ARG A 40 9.623 6.885 -5.303 1.00 4.10 H new ATOM 0 HG3 ARG A 40 10.585 5.497 -5.770 1.00 4.10 H new ATOM 0 HD2 ARG A 40 11.131 6.485 -7.731 1.00 51.11 H new ATOM 0 HD3 ARG A 40 9.441 6.629 -8.170 1.00 51.11 H new ATOM 0 HE ARG A 40 9.388 8.849 -7.376 1.00 60.33 H new ATOM 0 HH11 ARG A 40 12.568 7.410 -6.732 1.00 34.43 H new ATOM 0 HH12 ARG A 40 13.285 8.963 -6.290 1.00 34.43 H new ATOM 0 HH21 ARG A 40 10.329 10.794 -6.734 1.00 2.32 H new ATOM 0 HH22 ARG A 40 12.039 10.845 -6.291 1.00 2.32 H new ATOM 598 N ASP A 41 8.950 2.773 -4.621 1.00 60.15 N ATOM 599 CA ASP A 41 9.555 1.989 -3.555 1.00 74.32 C ATOM 600 C ASP A 41 8.467 1.519 -2.586 1.00 64.34 C ATOM 601 O ASP A 41 7.288 1.833 -2.786 1.00 73.41 O ATOM 602 CB ASP A 41 10.643 2.796 -2.824 1.00 32.10 C ATOM 603 CG ASP A 41 11.858 1.904 -2.566 1.00 22.43 C ATOM 604 OD1 ASP A 41 11.682 0.766 -2.079 1.00 62.21 O ATOM 605 OD2 ASP A 41 12.983 2.299 -2.949 1.00 55.41 O ATOM 0 H ASP A 41 8.006 3.087 -4.397 1.00 60.15 H new ATOM 0 HA ASP A 41 10.040 1.115 -3.989 1.00 74.32 H new ATOM 0 HB2 ASP A 41 10.934 3.659 -3.423 1.00 32.10 H new ATOM 0 HB3 ASP A 41 10.254 3.179 -1.881 1.00 32.10 H new ATOM 609 N VAL A 42 8.841 0.767 -1.550 1.00 21.43 N ATOM 610 CA VAL A 42 7.911 0.151 -0.603 1.00 62.13 C ATOM 611 C VAL A 42 8.450 0.327 0.820 1.00 3.13 C ATOM 612 O VAL A 42 9.664 0.296 1.036 1.00 53.34 O ATOM 613 CB VAL A 42 7.711 -1.341 -0.967 1.00 64.13 C ATOM 614 CG1 VAL A 42 6.588 -1.983 -0.143 1.00 32.24 C ATOM 615 CG2 VAL A 42 7.469 -1.567 -2.471 1.00 2.21 C ATOM 0 H VAL A 42 9.819 0.565 -1.342 1.00 21.43 H new ATOM 0 HA VAL A 42 6.936 0.636 -0.656 1.00 62.13 H new ATOM 0 HB VAL A 42 8.650 -1.833 -0.715 1.00 64.13 H new ATOM 0 HG11 VAL A 42 6.480 -3.029 -0.429 1.00 32.24 H new ATOM 0 HG12 VAL A 42 6.833 -1.920 0.917 1.00 32.24 H new ATOM 0 HG13 VAL A 42 5.652 -1.457 -0.331 1.00 32.24 H new ATOM 0 HG21 VAL A 42 7.336 -2.632 -2.662 1.00 2.21 H new ATOM 0 HG22 VAL A 42 6.573 -1.028 -2.780 1.00 2.21 H new ATOM 0 HG23 VAL A 42 8.326 -1.201 -3.036 1.00 2.21 H new ATOM 625 N ARG A 43 7.548 0.455 1.797 1.00 15.52 N ATOM 626 CA ARG A 43 7.796 0.531 3.229 1.00 53.31 C ATOM 627 C ARG A 43 7.315 -0.789 3.832 1.00 73.24 C ATOM 628 O ARG A 43 6.112 -1.024 3.945 1.00 20.33 O ATOM 629 CB ARG A 43 7.057 1.761 3.808 1.00 74.12 C ATOM 630 CG ARG A 43 7.751 2.366 5.035 1.00 0.20 C ATOM 631 CD ARG A 43 9.022 3.143 4.645 1.00 23.41 C ATOM 632 NE ARG A 43 8.901 4.605 4.832 1.00 55.21 N ATOM 633 CZ ARG A 43 9.146 5.277 5.963 1.00 40.15 C ATOM 634 NH1 ARG A 43 9.360 4.632 7.105 1.00 51.44 N ATOM 635 NH2 ARG A 43 9.120 6.601 5.957 1.00 24.21 N ATOM 0 H ARG A 43 6.552 0.512 1.585 1.00 15.52 H new ATOM 0 HA ARG A 43 8.852 0.663 3.465 1.00 53.31 H new ATOM 0 HB2 ARG A 43 6.974 2.524 3.034 1.00 74.12 H new ATOM 0 HB3 ARG A 43 6.042 1.471 4.080 1.00 74.12 H new ATOM 0 HG2 ARG A 43 7.061 3.033 5.551 1.00 0.20 H new ATOM 0 HG3 ARG A 43 8.010 1.572 5.735 1.00 0.20 H new ATOM 0 HD2 ARG A 43 9.859 2.777 5.240 1.00 23.41 H new ATOM 0 HD3 ARG A 43 9.258 2.937 3.601 1.00 23.41 H new ATOM 0 HE ARG A 43 8.603 5.152 4.024 1.00 55.21 H new ATOM 0 HH11 ARG A 43 9.339 3.612 7.127 1.00 51.44 H new ATOM 0 HH12 ARG A 43 9.546 5.156 7.960 1.00 51.44 H new ATOM 0 HH21 ARG A 43 8.914 7.103 5.093 1.00 24.21 H new ATOM 0 HH22 ARG A 43 9.306 7.119 6.816 1.00 24.21 H new ATOM 646 N MET A 44 8.246 -1.685 4.146 1.00 74.34 N ATOM 647 CA MET A 44 8.018 -2.980 4.780 1.00 40.31 C ATOM 648 C MET A 44 8.543 -2.877 6.213 1.00 1.23 C ATOM 649 O MET A 44 9.730 -2.622 6.434 1.00 55.51 O ATOM 650 CB MET A 44 8.716 -4.090 3.975 1.00 32.31 C ATOM 651 CG MET A 44 7.793 -4.760 2.948 1.00 61.32 C ATOM 652 SD MET A 44 7.437 -6.513 3.284 1.00 53.52 S ATOM 653 CE MET A 44 6.507 -6.375 4.832 1.00 32.21 C ATOM 0 H MET A 44 9.234 -1.518 3.955 1.00 74.34 H new ATOM 0 HA MET A 44 6.959 -3.239 4.803 1.00 40.31 H new ATOM 0 HB2 MET A 44 9.579 -3.669 3.459 1.00 32.31 H new ATOM 0 HB3 MET A 44 9.094 -4.846 4.663 1.00 32.31 H new ATOM 0 HG2 MET A 44 6.852 -4.212 2.912 1.00 61.32 H new ATOM 0 HG3 MET A 44 8.248 -4.677 1.961 1.00 61.32 H new ATOM 0 HE1 MET A 44 5.842 -7.232 4.935 1.00 32.21 H new ATOM 0 HE2 MET A 44 7.201 -6.351 5.672 1.00 32.21 H new ATOM 0 HE3 MET A 44 5.918 -5.458 4.822 1.00 32.21 H new ATOM 661 N ILE A 45 7.645 -2.998 7.189 1.00 14.34 N ATOM 662 CA ILE A 45 7.844 -2.619 8.583 1.00 33.33 C ATOM 663 C ILE A 45 8.413 -3.825 9.344 1.00 55.34 C ATOM 664 O ILE A 45 7.710 -4.510 10.094 1.00 12.41 O ATOM 665 CB ILE A 45 6.522 -2.023 9.157 1.00 54.32 C ATOM 666 CG1 ILE A 45 6.075 -0.789 8.341 1.00 4.20 C ATOM 667 CG2 ILE A 45 6.723 -1.572 10.614 1.00 54.51 C ATOM 668 CD1 ILE A 45 5.128 -1.128 7.185 1.00 35.24 C ATOM 0 H ILE A 45 6.715 -3.381 7.019 1.00 14.34 H new ATOM 0 HA ILE A 45 8.580 -1.823 8.694 1.00 33.33 H new ATOM 0 HB ILE A 45 5.764 -2.804 9.101 1.00 54.32 H new ATOM 0 HG12 ILE A 45 5.582 -0.082 9.008 1.00 4.20 H new ATOM 0 HG13 ILE A 45 6.957 -0.289 7.942 1.00 4.20 H new ATOM 0 HG21 ILE A 45 5.791 -1.159 10.999 1.00 54.51 H new ATOM 0 HG22 ILE A 45 7.019 -2.427 11.222 1.00 54.51 H new ATOM 0 HG23 ILE A 45 7.502 -0.810 10.655 1.00 54.51 H new ATOM 0 HD11 ILE A 45 4.856 -0.214 6.657 1.00 35.24 H new ATOM 0 HD12 ILE A 45 5.625 -1.811 6.496 1.00 35.24 H new ATOM 0 HD13 ILE A 45 4.228 -1.601 7.579 1.00 35.24 H new ATOM 679 N SER A 46 9.701 -4.113 9.159 1.00 54.32 N ATOM 680 CA SER A 46 10.368 -5.261 9.772 1.00 11.23 C ATOM 681 C SER A 46 10.751 -4.979 11.235 1.00 53.22 C ATOM 682 O SER A 46 11.919 -4.992 11.628 1.00 11.52 O ATOM 683 CB SER A 46 11.589 -5.654 8.952 1.00 23.41 C ATOM 684 OG SER A 46 11.307 -5.747 7.562 1.00 3.10 O ATOM 0 H SER A 46 10.317 -3.550 8.573 1.00 54.32 H new ATOM 0 HA SER A 46 9.668 -6.097 9.780 1.00 11.23 H new ATOM 0 HB2 SER A 46 12.380 -4.921 9.110 1.00 23.41 H new ATOM 0 HB3 SER A 46 11.967 -6.613 9.307 1.00 23.41 H new ATOM 0 HG SER A 46 12.121 -6.000 7.079 1.00 3.10 H new ATOM 689 N ASP A 47 9.740 -4.776 12.065 1.00 44.11 N ATOM 690 CA ASP A 47 9.823 -4.428 13.492 1.00 23.21 C ATOM 691 C ASP A 47 10.173 -5.641 14.387 1.00 32.02 C ATOM 692 O ASP A 47 9.940 -5.643 15.595 1.00 0.43 O ATOM 693 CB ASP A 47 8.504 -3.756 13.910 1.00 43.55 C ATOM 694 CG ASP A 47 8.672 -2.595 14.892 1.00 2.13 C ATOM 695 OD1 ASP A 47 9.767 -2.403 15.470 1.00 41.31 O ATOM 696 OD2 ASP A 47 7.729 -1.774 15.005 1.00 3.30 O ATOM 0 H ASP A 47 8.773 -4.853 11.748 1.00 44.11 H new ATOM 0 HA ASP A 47 10.647 -3.729 13.636 1.00 23.21 H new ATOM 0 HB2 ASP A 47 7.997 -3.391 13.017 1.00 43.55 H new ATOM 0 HB3 ASP A 47 7.854 -4.506 14.361 1.00 43.55 H new ATOM 700 N ARG A 48 10.728 -6.699 13.776 1.00 52.33 N ATOM 701 CA ARG A 48 11.020 -8.030 14.319 1.00 51.12 C ATOM 702 C ARG A 48 9.855 -8.661 15.089 1.00 53.30 C ATOM 703 O ARG A 48 8.706 -8.232 15.004 1.00 23.03 O ATOM 704 CB ARG A 48 12.376 -8.074 15.024 1.00 22.32 C ATOM 705 CG ARG A 48 12.410 -7.334 16.357 1.00 34.15 C ATOM 706 CD ARG A 48 13.551 -7.925 17.175 1.00 35.42 C ATOM 707 NE ARG A 48 14.033 -6.985 18.194 1.00 35.42 N ATOM 708 CZ ARG A 48 15.199 -7.037 18.846 1.00 44.32 C ATOM 709 NH1 ARG A 48 15.966 -8.123 18.800 1.00 2.53 N ATOM 710 NH2 ARG A 48 15.594 -5.963 19.514 1.00 21.21 N ATOM 0 H ARG A 48 11.009 -6.636 12.798 1.00 52.33 H new ATOM 0 HA ARG A 48 11.124 -8.701 13.466 1.00 51.12 H new ATOM 0 HB2 ARG A 48 12.653 -9.115 15.192 1.00 22.32 H new ATOM 0 HB3 ARG A 48 13.131 -7.646 14.364 1.00 22.32 H new ATOM 0 HG2 ARG A 48 12.563 -6.266 16.200 1.00 34.15 H new ATOM 0 HG3 ARG A 48 11.462 -7.446 16.883 1.00 34.15 H new ATOM 0 HD2 ARG A 48 13.215 -8.843 17.657 1.00 35.42 H new ATOM 0 HD3 ARG A 48 14.373 -8.195 16.511 1.00 35.42 H new ATOM 0 HE ARG A 48 13.413 -6.210 18.430 1.00 35.42 H new ATOM 0 HH11 ARG A 48 15.668 -8.936 18.260 1.00 2.53 H new ATOM 0 HH12 ARG A 48 16.852 -8.143 19.304 1.00 2.53 H new ATOM 0 HH21 ARG A 48 15.013 -5.125 19.522 1.00 21.21 H new ATOM 0 HH22 ARG A 48 16.479 -5.974 20.021 1.00 21.21 H new ATOM 721 N ASN A 49 10.115 -9.774 15.773 1.00 13.22 N ATOM 722 CA ASN A 49 9.146 -10.392 16.663 1.00 0.35 C ATOM 723 C ASN A 49 9.301 -9.730 18.015 1.00 15.33 C ATOM 724 O ASN A 49 10.075 -10.182 18.856 1.00 73.22 O ATOM 725 CB ASN A 49 9.314 -11.910 16.706 1.00 3.24 C ATOM 726 CG ASN A 49 8.641 -12.500 15.481 1.00 35.03 C ATOM 727 OD1 ASN A 49 7.430 -12.694 15.469 1.00 71.12 O ATOM 728 ND2 ASN A 49 9.353 -12.660 14.378 1.00 53.24 N ATOM 0 H ASN A 49 11.005 -10.269 15.723 1.00 13.22 H new ATOM 0 HA ASN A 49 8.128 -10.240 16.305 1.00 0.35 H new ATOM 0 HB2 ASN A 49 10.371 -12.174 16.722 1.00 3.24 H new ATOM 0 HB3 ASN A 49 8.870 -12.315 17.615 1.00 3.24 H new ATOM 0 HD21 ASN A 49 8.895 -12.946 13.512 1.00 53.24 H new ATOM 0 HD22 ASN A 49 10.360 -12.497 14.393 1.00 53.24 H new ATOM 734 N SER A 50 8.631 -8.595 18.166 1.00 3.51 N ATOM 735 CA SER A 50 8.615 -7.816 19.387 1.00 53.42 C ATOM 736 C SER A 50 7.266 -7.091 19.445 1.00 33.22 C ATOM 737 O SER A 50 6.317 -7.623 20.028 1.00 60.31 O ATOM 738 CB SER A 50 9.862 -6.916 19.391 1.00 0.52 C ATOM 739 OG SER A 50 9.962 -6.149 20.569 1.00 44.31 O ATOM 0 H SER A 50 8.070 -8.184 17.420 1.00 3.51 H new ATOM 0 HA SER A 50 8.681 -8.408 20.300 1.00 53.42 H new ATOM 0 HB2 SER A 50 10.754 -7.534 19.285 1.00 0.52 H new ATOM 0 HB3 SER A 50 9.830 -6.251 18.528 1.00 0.52 H new ATOM 0 HG SER A 50 10.769 -5.594 20.530 1.00 44.31 H new ATOM 744 N ARG A 51 7.143 -5.942 18.778 1.00 41.52 N ATOM 745 CA ARG A 51 5.955 -5.099 18.718 1.00 24.11 C ATOM 746 C ARG A 51 5.654 -4.948 17.240 1.00 22.13 C ATOM 747 O ARG A 51 6.454 -4.332 16.546 1.00 60.04 O ATOM 748 CB ARG A 51 6.278 -3.743 19.384 1.00 32.01 C ATOM 749 CG ARG A 51 5.231 -2.645 19.107 1.00 52.10 C ATOM 750 CD ARG A 51 5.594 -1.300 19.748 1.00 22.13 C ATOM 751 NE ARG A 51 5.645 -1.383 21.216 1.00 4.53 N ATOM 752 CZ ARG A 51 4.640 -1.212 22.079 1.00 4.53 C ATOM 753 NH1 ARG A 51 3.436 -0.808 21.680 1.00 54.44 N ATOM 754 NH2 ARG A 51 4.856 -1.477 23.361 1.00 62.10 N ATOM 0 H ARG A 51 7.916 -5.556 18.235 1.00 41.52 H new ATOM 0 HA ARG A 51 5.095 -5.515 19.242 1.00 24.11 H new ATOM 0 HB2 ARG A 51 6.361 -3.889 20.461 1.00 32.01 H new ATOM 0 HB3 ARG A 51 7.251 -3.400 19.033 1.00 32.01 H new ATOM 0 HG2 ARG A 51 5.127 -2.512 18.030 1.00 52.10 H new ATOM 0 HG3 ARG A 51 4.261 -2.971 19.483 1.00 52.10 H new ATOM 0 HD2 ARG A 51 6.561 -0.968 19.370 1.00 22.13 H new ATOM 0 HD3 ARG A 51 4.861 -0.549 19.453 1.00 22.13 H new ATOM 0 HE ARG A 51 6.556 -1.596 21.623 1.00 4.53 H new ATOM 0 HH11 ARG A 51 3.262 -0.621 20.693 1.00 54.44 H new ATOM 0 HH12 ARG A 51 2.687 -0.686 22.362 1.00 54.44 H new ATOM 0 HH21 ARG A 51 5.773 -1.803 23.667 1.00 62.10 H new ATOM 0 HH22 ARG A 51 4.105 -1.355 24.041 1.00 62.10 H new ATOM 765 N ARG A 52 4.585 -5.559 16.723 1.00 60.14 N ATOM 766 CA ARG A 52 4.172 -5.333 15.342 1.00 20.00 C ATOM 767 C ARG A 52 2.697 -5.603 15.121 1.00 14.54 C ATOM 768 O ARG A 52 2.119 -6.486 15.750 1.00 24.01 O ATOM 769 CB ARG A 52 5.047 -6.050 14.331 1.00 41.42 C ATOM 770 CG ARG A 52 5.288 -7.483 14.712 1.00 52.51 C ATOM 771 CD ARG A 52 5.977 -8.157 13.526 1.00 3.44 C ATOM 772 NE ARG A 52 6.182 -9.597 13.722 1.00 3.12 N ATOM 773 CZ ARG A 52 6.128 -10.523 12.760 1.00 2.50 C ATOM 774 NH1 ARG A 52 5.880 -10.200 11.491 1.00 24.14 N ATOM 775 NH2 ARG A 52 6.312 -11.794 13.075 1.00 21.31 N ATOM 0 H ARG A 52 3.994 -6.210 17.240 1.00 60.14 H new ATOM 0 HA ARG A 52 4.322 -4.268 15.164 1.00 20.00 H new ATOM 0 HB2 ARG A 52 4.574 -6.010 13.350 1.00 41.42 H new ATOM 0 HB3 ARG A 52 6.002 -5.532 14.246 1.00 41.42 H new ATOM 0 HG2 ARG A 52 5.911 -7.544 15.604 1.00 52.51 H new ATOM 0 HG3 ARG A 52 4.348 -7.982 14.945 1.00 52.51 H new ATOM 0 HD2 ARG A 52 5.379 -8.000 12.629 1.00 3.44 H new ATOM 0 HD3 ARG A 52 6.941 -7.679 13.354 1.00 3.44 H new ATOM 0 HE ARG A 52 6.382 -9.917 14.670 1.00 3.12 H new ATOM 0 HH11 ARG A 52 5.726 -9.225 11.234 1.00 24.14 H new ATOM 0 HH12 ARG A 52 5.845 -10.928 10.777 1.00 24.14 H new ATOM 0 HH21 ARG A 52 6.493 -12.058 14.043 1.00 21.31 H new ATOM 0 HH22 ARG A 52 6.273 -12.510 12.350 1.00 21.31 H new ATOM 786 N SER A 53 2.132 -4.978 14.093 1.00 0.30 N ATOM 787 CA SER A 53 0.820 -5.285 13.530 1.00 2.44 C ATOM 788 C SER A 53 0.797 -6.621 12.763 1.00 43.14 C ATOM 789 O SER A 53 -0.213 -6.953 12.152 1.00 0.33 O ATOM 790 CB SER A 53 0.416 -4.137 12.594 1.00 55.31 C ATOM 791 OG SER A 53 0.837 -2.888 13.110 1.00 62.45 O ATOM 0 H SER A 53 2.596 -4.210 13.608 1.00 0.30 H new ATOM 0 HA SER A 53 0.113 -5.389 14.353 1.00 2.44 H new ATOM 0 HB2 SER A 53 0.856 -4.294 11.609 1.00 55.31 H new ATOM 0 HB3 SER A 53 -0.666 -4.134 12.463 1.00 55.31 H new ATOM 0 HG SER A 53 0.570 -2.173 12.495 1.00 62.45 H new ATOM 796 N LYS A 54 1.912 -7.362 12.724 1.00 53.45 N ATOM 797 CA LYS A 54 2.136 -8.682 12.115 1.00 72.21 C ATOM 798 C LYS A 54 1.771 -8.881 10.644 1.00 3.40 C ATOM 799 O LYS A 54 2.087 -9.947 10.123 1.00 24.21 O ATOM 800 CB LYS A 54 1.540 -9.804 12.988 1.00 15.13 C ATOM 801 CG LYS A 54 2.264 -9.922 14.336 1.00 11.14 C ATOM 802 CD LYS A 54 1.875 -11.172 15.131 1.00 74.22 C ATOM 803 CE LYS A 54 2.496 -12.442 14.537 1.00 64.13 C ATOM 804 NZ LYS A 54 1.539 -13.275 13.778 1.00 3.31 N ATOM 0 H LYS A 54 2.766 -7.018 13.162 1.00 53.45 H new ATOM 0 HA LYS A 54 3.224 -8.737 12.090 1.00 72.21 H new ATOM 0 HB2 LYS A 54 0.482 -9.608 13.160 1.00 15.13 H new ATOM 0 HB3 LYS A 54 1.606 -10.753 12.456 1.00 15.13 H new ATOM 0 HG2 LYS A 54 3.340 -9.932 14.162 1.00 11.14 H new ATOM 0 HG3 LYS A 54 2.046 -9.038 14.935 1.00 11.14 H new ATOM 0 HD2 LYS A 54 2.198 -11.059 16.166 1.00 74.22 H new ATOM 0 HD3 LYS A 54 0.790 -11.271 15.145 1.00 74.22 H new ATOM 0 HE2 LYS A 54 3.319 -12.160 13.880 1.00 64.13 H new ATOM 0 HE3 LYS A 54 2.922 -13.038 15.344 1.00 64.13 H new ATOM 0 HZ1 LYS A 54 2.061 -13.931 13.163 1.00 3.31 H new ATOM 0 HZ2 LYS A 54 0.949 -13.817 14.441 1.00 3.31 H new ATOM 0 HZ3 LYS A 54 0.932 -12.663 13.195 1.00 3.31 H new ATOM 814 N GLY A 55 1.228 -7.900 9.939 1.00 11.50 N ATOM 815 CA GLY A 55 0.889 -8.027 8.527 1.00 43.14 C ATOM 816 C GLY A 55 0.655 -6.654 7.927 1.00 74.01 C ATOM 817 O GLY A 55 -0.502 -6.270 7.766 1.00 20.23 O ATOM 0 H GLY A 55 1.008 -6.985 10.333 1.00 11.50 H new ATOM 0 HA2 GLY A 55 1.694 -8.534 7.995 1.00 43.14 H new ATOM 0 HA3 GLY A 55 -0.004 -8.641 8.412 1.00 43.14 H new ATOM 821 N ILE A 56 1.723 -5.898 7.658 1.00 31.13 N ATOM 822 CA ILE A 56 1.646 -4.522 7.169 1.00 3.32 C ATOM 823 C ILE A 56 2.763 -4.223 6.164 1.00 21.33 C ATOM 824 O ILE A 56 3.915 -4.600 6.378 1.00 53.15 O ATOM 825 CB ILE A 56 1.673 -3.508 8.342 1.00 60.42 C ATOM 826 CG1 ILE A 56 2.776 -3.766 9.392 1.00 24.12 C ATOM 827 CG2 ILE A 56 0.283 -3.476 9.012 1.00 64.35 C ATOM 828 CD1 ILE A 56 3.006 -2.555 10.308 1.00 31.22 C ATOM 0 H ILE A 56 2.680 -6.232 7.776 1.00 31.13 H new ATOM 0 HA ILE A 56 0.693 -4.412 6.651 1.00 3.32 H new ATOM 0 HB ILE A 56 1.920 -2.539 7.909 1.00 60.42 H new ATOM 0 HG12 ILE A 56 2.502 -4.630 9.998 1.00 24.12 H new ATOM 0 HG13 ILE A 56 3.707 -4.016 8.883 1.00 24.12 H new ATOM 0 HG21 ILE A 56 0.294 -2.765 9.838 1.00 64.35 H new ATOM 0 HG22 ILE A 56 -0.466 -3.172 8.281 1.00 64.35 H new ATOM 0 HG23 ILE A 56 0.039 -4.469 9.391 1.00 64.35 H new ATOM 0 HD11 ILE A 56 3.791 -2.787 11.028 1.00 31.22 H new ATOM 0 HD12 ILE A 56 3.307 -1.697 9.708 1.00 31.22 H new ATOM 0 HD13 ILE A 56 2.084 -2.320 10.839 1.00 31.22 H new ATOM 839 N ALA A 57 2.434 -3.486 5.104 1.00 2.43 N ATOM 840 CA ALA A 57 3.345 -2.692 4.289 1.00 44.44 C ATOM 841 C ALA A 57 2.563 -1.474 3.798 1.00 2.51 C ATOM 842 O ALA A 57 1.339 -1.551 3.695 1.00 44.11 O ATOM 843 CB ALA A 57 3.860 -3.495 3.087 1.00 75.42 C ATOM 0 H ALA A 57 1.471 -3.425 4.775 1.00 2.43 H new ATOM 0 HA ALA A 57 4.213 -2.398 4.880 1.00 44.44 H new ATOM 0 HB1 ALA A 57 4.537 -2.876 2.499 1.00 75.42 H new ATOM 0 HB2 ALA A 57 4.391 -4.379 3.440 1.00 75.42 H new ATOM 0 HB3 ALA A 57 3.018 -3.802 2.467 1.00 75.42 H new ATOM 849 N TYR A 58 3.245 -0.393 3.439 1.00 34.30 N ATOM 850 CA TYR A 58 2.692 0.758 2.730 1.00 2.31 C ATOM 851 C TYR A 58 3.576 0.918 1.490 1.00 31.24 C ATOM 852 O TYR A 58 4.796 0.881 1.608 1.00 3.40 O ATOM 853 CB TYR A 58 2.694 1.999 3.643 1.00 61.01 C ATOM 854 CG TYR A 58 1.974 1.855 4.971 1.00 75.05 C ATOM 855 CD1 TYR A 58 2.640 1.250 6.046 1.00 63.13 C ATOM 856 CD2 TYR A 58 0.676 2.365 5.162 1.00 2.10 C ATOM 857 CE1 TYR A 58 2.016 1.103 7.292 1.00 60.34 C ATOM 858 CE2 TYR A 58 0.047 2.250 6.420 1.00 44.52 C ATOM 859 CZ TYR A 58 0.714 1.612 7.493 1.00 20.01 C ATOM 860 OH TYR A 58 0.125 1.544 8.719 1.00 34.33 O ATOM 0 H TYR A 58 4.239 -0.289 3.642 1.00 34.30 H new ATOM 0 HA TYR A 58 1.650 0.625 2.438 1.00 2.31 H new ATOM 0 HB2 TYR A 58 3.729 2.276 3.843 1.00 61.01 H new ATOM 0 HB3 TYR A 58 2.243 2.827 3.097 1.00 61.01 H new ATOM 0 HD1 TYR A 58 3.650 0.892 5.912 1.00 63.13 H new ATOM 0 HD2 TYR A 58 0.160 2.845 4.344 1.00 2.10 H new ATOM 0 HE1 TYR A 58 2.530 0.601 8.098 1.00 60.34 H new ATOM 0 HE2 TYR A 58 -0.946 2.650 6.564 1.00 44.52 H new ATOM 0 HH TYR A 58 -0.579 0.862 8.706 1.00 34.33 H new ATOM 869 N VAL A 59 2.997 1.000 0.298 1.00 2.21 N ATOM 870 CA VAL A 59 3.692 0.840 -0.976 1.00 40.21 C ATOM 871 C VAL A 59 3.600 2.178 -1.716 1.00 53.14 C ATOM 872 O VAL A 59 2.490 2.618 -2.031 1.00 53.32 O ATOM 873 CB VAL A 59 3.062 -0.333 -1.767 1.00 73.41 C ATOM 874 CG1 VAL A 59 4.020 -0.844 -2.841 1.00 14.52 C ATOM 875 CG2 VAL A 59 2.630 -1.532 -0.903 1.00 73.22 C ATOM 0 H VAL A 59 2.000 1.185 0.187 1.00 2.21 H new ATOM 0 HA VAL A 59 4.744 0.588 -0.841 1.00 40.21 H new ATOM 0 HB VAL A 59 2.161 0.093 -2.208 1.00 73.41 H new ATOM 0 HG11 VAL A 59 3.554 -1.667 -3.382 1.00 14.52 H new ATOM 0 HG12 VAL A 59 4.251 -0.037 -3.537 1.00 14.52 H new ATOM 0 HG13 VAL A 59 4.940 -1.193 -2.372 1.00 14.52 H new ATOM 0 HG21 VAL A 59 2.200 -2.304 -1.541 1.00 73.22 H new ATOM 0 HG22 VAL A 59 3.497 -1.935 -0.380 1.00 73.22 H new ATOM 0 HG23 VAL A 59 1.886 -1.207 -0.176 1.00 73.22 H new ATOM 885 N GLU A 60 4.721 2.889 -1.916 1.00 11.31 N ATOM 886 CA GLU A 60 4.683 4.255 -2.434 1.00 64.31 C ATOM 887 C GLU A 60 4.737 4.252 -3.967 1.00 11.23 C ATOM 888 O GLU A 60 5.795 4.327 -4.603 1.00 61.44 O ATOM 889 CB GLU A 60 5.731 5.167 -1.768 1.00 44.05 C ATOM 890 CG GLU A 60 5.553 6.607 -2.298 1.00 73.13 C ATOM 891 CD GLU A 60 6.235 7.721 -1.497 1.00 2.33 C ATOM 892 OE1 GLU A 60 7.035 7.453 -0.573 1.00 42.12 O ATOM 893 OE2 GLU A 60 5.965 8.906 -1.834 1.00 64.22 O ATOM 0 H GLU A 60 5.659 2.537 -1.726 1.00 11.31 H new ATOM 0 HA GLU A 60 3.726 4.700 -2.160 1.00 64.31 H new ATOM 0 HB2 GLU A 60 5.613 5.147 -0.685 1.00 44.05 H new ATOM 0 HB3 GLU A 60 6.736 4.807 -1.986 1.00 44.05 H new ATOM 0 HG2 GLU A 60 5.929 6.643 -3.320 1.00 73.13 H new ATOM 0 HG3 GLU A 60 4.486 6.824 -2.343 1.00 73.13 H new ATOM 898 N PHE A 61 3.554 4.161 -4.570 1.00 34.21 N ATOM 899 CA PHE A 61 3.330 4.426 -5.972 1.00 75.51 C ATOM 900 C PHE A 61 3.921 5.762 -6.441 1.00 35.13 C ATOM 901 O PHE A 61 4.158 6.702 -5.682 1.00 33.44 O ATOM 902 CB PHE A 61 1.831 4.342 -6.264 1.00 71.42 C ATOM 903 CG PHE A 61 1.464 3.137 -7.091 1.00 64.41 C ATOM 904 CD1 PHE A 61 1.702 3.172 -8.478 1.00 22.31 C ATOM 905 CD2 PHE A 61 0.808 2.033 -6.513 1.00 70.14 C ATOM 906 CE1 PHE A 61 1.234 2.135 -9.292 1.00 70.43 C ATOM 907 CE2 PHE A 61 0.348 0.990 -7.334 1.00 11.13 C ATOM 908 CZ PHE A 61 0.546 1.054 -8.724 1.00 1.20 C ATOM 0 H PHE A 61 2.705 3.892 -4.073 1.00 34.21 H new ATOM 0 HA PHE A 61 3.860 3.664 -6.543 1.00 75.51 H new ATOM 0 HB2 PHE A 61 1.283 4.311 -5.322 1.00 71.42 H new ATOM 0 HB3 PHE A 61 1.516 5.245 -6.787 1.00 71.42 H new ATOM 0 HD1 PHE A 61 2.245 3.998 -8.913 1.00 22.31 H new ATOM 0 HD2 PHE A 61 0.659 1.988 -5.444 1.00 70.14 H new ATOM 0 HE1 PHE A 61 1.403 2.167 -10.358 1.00 70.43 H new ATOM 0 HE2 PHE A 61 -0.157 0.141 -6.898 1.00 11.13 H new ATOM 0 HZ PHE A 61 0.166 0.266 -9.358 1.00 1.20 H new ATOM 917 N VAL A 62 4.167 5.827 -7.742 1.00 3.31 N ATOM 918 CA VAL A 62 4.660 6.962 -8.512 1.00 12.31 C ATOM 919 C VAL A 62 3.588 7.987 -8.859 1.00 60.31 C ATOM 920 O VAL A 62 3.888 9.176 -8.951 1.00 61.32 O ATOM 921 CB VAL A 62 5.314 6.409 -9.792 1.00 14.21 C ATOM 922 CG1 VAL A 62 6.689 5.845 -9.463 1.00 33.40 C ATOM 923 CG2 VAL A 62 4.430 5.326 -10.415 1.00 1.34 C ATOM 0 H VAL A 62 4.013 5.015 -8.339 1.00 3.31 H new ATOM 0 HA VAL A 62 5.378 7.503 -7.895 1.00 12.31 H new ATOM 0 HB VAL A 62 5.425 7.219 -10.513 1.00 14.21 H new ATOM 0 HG11 VAL A 62 7.149 5.455 -10.371 1.00 33.40 H new ATOM 0 HG12 VAL A 62 7.316 6.634 -9.049 1.00 33.40 H new ATOM 0 HG13 VAL A 62 6.588 5.042 -8.733 1.00 33.40 H new ATOM 0 HG21 VAL A 62 4.905 4.944 -11.319 1.00 1.34 H new ATOM 0 HG22 VAL A 62 4.297 4.511 -9.703 1.00 1.34 H new ATOM 0 HG23 VAL A 62 3.458 5.750 -10.667 1.00 1.34 H new ATOM 933 N ASP A 63 2.368 7.539 -9.119 1.00 11.22 N ATOM 934 CA ASP A 63 1.214 8.355 -9.489 1.00 0.04 C ATOM 935 C ASP A 63 0.153 8.213 -8.400 1.00 1.40 C ATOM 936 O ASP A 63 0.242 7.302 -7.579 1.00 3.04 O ATOM 937 CB ASP A 63 0.617 7.886 -10.830 1.00 2.00 C ATOM 938 CG ASP A 63 -0.430 8.855 -11.399 1.00 65.31 C ATOM 939 OD1 ASP A 63 -0.443 10.042 -10.994 1.00 73.12 O ATOM 940 OD2 ASP A 63 -1.260 8.434 -12.231 1.00 2.34 O ATOM 0 H ASP A 63 2.142 6.545 -9.076 1.00 11.22 H new ATOM 0 HA ASP A 63 1.531 9.393 -9.593 1.00 0.04 H new ATOM 0 HB2 ASP A 63 1.421 7.764 -11.555 1.00 2.00 H new ATOM 0 HB3 ASP A 63 0.159 6.906 -10.694 1.00 2.00 H new ATOM 944 N VAL A 64 -0.842 9.095 -8.385 1.00 42.45 N ATOM 945 CA VAL A 64 -1.978 9.000 -7.481 1.00 41.32 C ATOM 946 C VAL A 64 -3.090 8.143 -8.117 1.00 34.42 C ATOM 947 O VAL A 64 -3.818 7.471 -7.392 1.00 10.33 O ATOM 948 CB VAL A 64 -2.476 10.409 -7.090 1.00 54.41 C ATOM 949 CG1 VAL A 64 -3.183 10.339 -5.736 1.00 32.31 C ATOM 950 CG2 VAL A 64 -1.362 11.469 -6.983 1.00 31.42 C ATOM 0 H VAL A 64 -0.880 9.903 -9.007 1.00 42.45 H new ATOM 0 HA VAL A 64 -1.668 8.504 -6.561 1.00 41.32 H new ATOM 0 HB VAL A 64 -3.144 10.719 -7.894 1.00 54.41 H new ATOM 0 HG11 VAL A 64 -3.535 11.332 -5.458 1.00 32.31 H new ATOM 0 HG12 VAL A 64 -4.032 9.659 -5.804 1.00 32.31 H new ATOM 0 HG13 VAL A 64 -2.486 9.976 -4.980 1.00 32.31 H new ATOM 0 HG21 VAL A 64 -1.798 12.428 -6.705 1.00 31.42 H new ATOM 0 HG22 VAL A 64 -0.641 11.164 -6.224 1.00 31.42 H new ATOM 0 HG23 VAL A 64 -0.858 11.565 -7.945 1.00 31.42 H new ATOM 960 N SER A 65 -3.188 8.080 -9.456 1.00 32.53 N ATOM 961 CA SER A 65 -4.293 7.402 -10.138 1.00 71.44 C ATOM 962 C SER A 65 -4.358 5.914 -9.788 1.00 1.02 C ATOM 963 O SER A 65 -5.425 5.306 -9.868 1.00 44.02 O ATOM 964 CB SER A 65 -4.114 7.590 -11.648 1.00 41.21 C ATOM 965 OG SER A 65 -5.201 7.152 -12.428 1.00 30.33 O ATOM 0 H SER A 65 -2.505 8.497 -10.089 1.00 32.53 H new ATOM 0 HA SER A 65 -5.234 7.841 -9.807 1.00 71.44 H new ATOM 0 HB2 SER A 65 -3.941 8.647 -11.851 1.00 41.21 H new ATOM 0 HB3 SER A 65 -3.219 7.054 -11.964 1.00 41.21 H new ATOM 0 HG SER A 65 -5.008 7.309 -13.376 1.00 30.33 H new ATOM 970 N SER A 66 -3.237 5.283 -9.442 1.00 30.14 N ATOM 971 CA SER A 66 -3.224 3.861 -9.127 1.00 61.35 C ATOM 972 C SER A 66 -3.786 3.521 -7.746 1.00 33.04 C ATOM 973 O SER A 66 -4.140 2.367 -7.500 1.00 53.34 O ATOM 974 CB SER A 66 -1.794 3.386 -9.164 1.00 1.32 C ATOM 975 OG SER A 66 -0.997 4.234 -8.362 1.00 54.02 O ATOM 0 H SER A 66 -2.326 5.737 -9.374 1.00 30.14 H new ATOM 0 HA SER A 66 -3.861 3.372 -9.864 1.00 61.35 H new ATOM 0 HB2 SER A 66 -1.731 2.360 -8.802 1.00 1.32 H new ATOM 0 HB3 SER A 66 -1.426 3.386 -10.190 1.00 1.32 H new ATOM 0 HG SER A 66 -0.267 3.716 -7.963 1.00 54.02 H new ATOM 980 N VAL A 67 -3.848 4.495 -6.837 1.00 72.04 N ATOM 981 CA VAL A 67 -4.330 4.321 -5.471 1.00 45.11 C ATOM 982 C VAL A 67 -5.716 3.652 -5.492 1.00 34.20 C ATOM 983 O VAL A 67 -5.843 2.542 -4.960 1.00 3.21 O ATOM 984 CB VAL A 67 -4.251 5.670 -4.717 1.00 44.51 C ATOM 985 CG1 VAL A 67 -4.891 5.621 -3.328 1.00 53.22 C ATOM 986 CG2 VAL A 67 -2.788 6.113 -4.567 1.00 32.10 C ATOM 0 H VAL A 67 -3.556 5.451 -7.038 1.00 72.04 H new ATOM 0 HA VAL A 67 -3.695 3.640 -4.905 1.00 45.11 H new ATOM 0 HB VAL A 67 -4.812 6.385 -5.319 1.00 44.51 H new ATOM 0 HG11 VAL A 67 -4.802 6.598 -2.852 1.00 53.22 H new ATOM 0 HG12 VAL A 67 -5.944 5.357 -3.422 1.00 53.22 H new ATOM 0 HG13 VAL A 67 -4.383 4.873 -2.719 1.00 53.22 H new ATOM 0 HG21 VAL A 67 -2.748 7.063 -4.035 1.00 32.10 H new ATOM 0 HG22 VAL A 67 -2.235 5.359 -4.006 1.00 32.10 H new ATOM 0 HG23 VAL A 67 -2.341 6.231 -5.554 1.00 32.10 H new ATOM 996 N PRO A 68 -6.739 4.218 -6.157 1.00 13.21 N ATOM 997 CA PRO A 68 -8.036 3.569 -6.260 1.00 24.41 C ATOM 998 C PRO A 68 -8.020 2.295 -7.111 1.00 71.13 C ATOM 999 O PRO A 68 -8.942 1.488 -6.979 1.00 23.24 O ATOM 1000 CB PRO A 68 -8.971 4.634 -6.826 1.00 14.32 C ATOM 1001 CG PRO A 68 -8.054 5.523 -7.657 1.00 32.10 C ATOM 1002 CD PRO A 68 -6.786 5.523 -6.810 1.00 74.32 C ATOM 0 HA PRO A 68 -8.366 3.212 -5.284 1.00 24.41 H new ATOM 0 HB2 PRO A 68 -9.758 4.191 -7.436 1.00 14.32 H new ATOM 0 HB3 PRO A 68 -9.462 5.197 -6.032 1.00 14.32 H new ATOM 0 HG2 PRO A 68 -7.882 5.117 -8.654 1.00 32.10 H new ATOM 0 HG3 PRO A 68 -8.461 6.526 -7.787 1.00 32.10 H new ATOM 0 HD2 PRO A 68 -5.903 5.682 -7.429 1.00 74.32 H new ATOM 0 HD3 PRO A 68 -6.808 6.327 -6.074 1.00 74.32 H new ATOM 1007 N LEU A 69 -7.003 2.063 -7.951 1.00 33.21 N ATOM 1008 CA LEU A 69 -6.872 0.796 -8.657 1.00 30.21 C ATOM 1009 C LEU A 69 -6.588 -0.323 -7.659 1.00 5.54 C ATOM 1010 O LEU A 69 -7.297 -1.327 -7.652 1.00 73.44 O ATOM 1011 CB LEU A 69 -5.773 0.838 -9.735 1.00 54.15 C ATOM 1012 CG LEU A 69 -6.310 0.326 -11.082 1.00 65.11 C ATOM 1013 CD1 LEU A 69 -5.206 0.442 -12.130 1.00 4.42 C ATOM 1014 CD2 LEU A 69 -6.787 -1.137 -11.023 1.00 44.41 C ATOM 0 H LEU A 69 -6.265 2.737 -8.153 1.00 33.21 H new ATOM 0 HA LEU A 69 -7.816 0.605 -9.168 1.00 30.21 H new ATOM 0 HB2 LEU A 69 -5.407 1.859 -9.848 1.00 54.15 H new ATOM 0 HB3 LEU A 69 -4.926 0.229 -9.421 1.00 54.15 H new ATOM 0 HG LEU A 69 -7.174 0.939 -11.340 1.00 65.11 H new ATOM 0 HD11 LEU A 69 -5.576 0.081 -13.090 1.00 4.42 H new ATOM 0 HD12 LEU A 69 -4.904 1.485 -12.226 1.00 4.42 H new ATOM 0 HD13 LEU A 69 -4.349 -0.157 -11.823 1.00 4.42 H new ATOM 0 HD21 LEU A 69 -7.154 -1.440 -12.004 1.00 44.41 H new ATOM 0 HD22 LEU A 69 -5.956 -1.779 -10.733 1.00 44.41 H new ATOM 0 HD23 LEU A 69 -7.589 -1.229 -10.291 1.00 44.41 H new ATOM 1025 N ALA A 70 -5.577 -0.137 -6.808 1.00 53.55 N ATOM 1026 CA ALA A 70 -5.156 -1.130 -5.833 1.00 61.43 C ATOM 1027 C ALA A 70 -6.293 -1.442 -4.858 1.00 44.12 C ATOM 1028 O ALA A 70 -6.523 -2.603 -4.515 1.00 62.23 O ATOM 1029 CB ALA A 70 -3.917 -0.616 -5.096 1.00 74.05 C ATOM 0 H ALA A 70 -5.024 0.720 -6.781 1.00 53.55 H new ATOM 0 HA ALA A 70 -4.902 -2.059 -6.344 1.00 61.43 H new ATOM 0 HB1 ALA A 70 -3.596 -1.356 -4.363 1.00 74.05 H new ATOM 0 HB2 ALA A 70 -3.114 -0.442 -5.812 1.00 74.05 H new ATOM 0 HB3 ALA A 70 -4.157 0.317 -4.587 1.00 74.05 H new ATOM 1035 N ILE A 71 -7.044 -0.423 -4.439 1.00 74.43 N ATOM 1036 CA ILE A 71 -8.234 -0.584 -3.610 1.00 12.23 C ATOM 1037 C ILE A 71 -9.244 -1.484 -4.337 1.00 32.04 C ATOM 1038 O ILE A 71 -9.857 -2.359 -3.721 1.00 71.32 O ATOM 1039 CB ILE A 71 -8.791 0.812 -3.260 1.00 43.55 C ATOM 1040 CG1 ILE A 71 -7.783 1.574 -2.370 1.00 42.45 C ATOM 1041 CG2 ILE A 71 -10.150 0.719 -2.559 1.00 5.32 C ATOM 1042 CD1 ILE A 71 -8.146 3.052 -2.215 1.00 22.23 C ATOM 0 H ILE A 71 -6.838 0.549 -4.670 1.00 74.43 H new ATOM 0 HA ILE A 71 -7.999 -1.080 -2.668 1.00 12.23 H new ATOM 0 HB ILE A 71 -8.937 1.358 -4.192 1.00 43.55 H new ATOM 0 HG12 ILE A 71 -7.745 1.107 -1.386 1.00 42.45 H new ATOM 0 HG13 ILE A 71 -6.785 1.491 -2.801 1.00 42.45 H new ATOM 0 HG21 ILE A 71 -10.510 1.722 -2.328 1.00 5.32 H new ATOM 0 HG22 ILE A 71 -10.864 0.219 -3.214 1.00 5.32 H new ATOM 0 HG23 ILE A 71 -10.045 0.150 -1.635 1.00 5.32 H new ATOM 0 HD11 ILE A 71 -7.408 3.543 -1.581 1.00 22.23 H new ATOM 0 HD12 ILE A 71 -8.158 3.529 -3.195 1.00 22.23 H new ATOM 0 HD13 ILE A 71 -9.132 3.139 -1.758 1.00 22.23 H new ATOM 1053 N GLY A 72 -9.383 -1.332 -5.654 1.00 2.52 N ATOM 1054 CA GLY A 72 -10.247 -2.148 -6.493 1.00 24.31 C ATOM 1055 C GLY A 72 -9.816 -3.610 -6.614 1.00 2.10 C ATOM 1056 O GLY A 72 -10.511 -4.407 -7.250 1.00 4.31 O ATOM 0 H GLY A 72 -8.881 -0.615 -6.178 1.00 2.52 H new ATOM 0 HA2 GLY A 72 -11.260 -2.113 -6.092 1.00 24.31 H new ATOM 0 HA3 GLY A 72 -10.284 -1.709 -7.490 1.00 24.31 H new ATOM 1060 N LEU A 73 -8.672 -4.003 -6.055 1.00 24.04 N ATOM 1061 CA LEU A 73 -8.178 -5.378 -6.079 1.00 53.52 C ATOM 1062 C LEU A 73 -8.256 -6.035 -4.692 1.00 64.03 C ATOM 1063 O LEU A 73 -7.712 -7.124 -4.519 1.00 23.02 O ATOM 1064 CB LEU A 73 -6.768 -5.441 -6.690 1.00 4.54 C ATOM 1065 CG LEU A 73 -6.641 -4.873 -8.117 1.00 70.04 C ATOM 1066 CD1 LEU A 73 -5.215 -5.098 -8.622 1.00 50.44 C ATOM 1067 CD2 LEU A 73 -7.654 -5.477 -9.105 1.00 13.21 C ATOM 0 H LEU A 73 -8.051 -3.361 -5.563 1.00 24.04 H new ATOM 0 HA LEU A 73 -8.832 -5.963 -6.725 1.00 53.52 H new ATOM 0 HB2 LEU A 73 -6.083 -4.898 -6.039 1.00 4.54 H new ATOM 0 HB3 LEU A 73 -6.441 -6.481 -6.700 1.00 4.54 H new ATOM 0 HG LEU A 73 -6.866 -3.808 -8.063 1.00 70.04 H new ATOM 0 HD11 LEU A 73 -5.119 -4.698 -9.631 1.00 50.44 H new ATOM 0 HD12 LEU A 73 -4.511 -4.591 -7.962 1.00 50.44 H new ATOM 0 HD13 LEU A 73 -4.997 -6.166 -8.633 1.00 50.44 H new ATOM 0 HD21 LEU A 73 -7.510 -5.034 -10.090 1.00 13.21 H new ATOM 0 HD22 LEU A 73 -7.504 -6.555 -9.167 1.00 13.21 H new ATOM 0 HD23 LEU A 73 -8.667 -5.271 -8.759 1.00 13.21 H new ATOM 1078 N THR A 74 -8.979 -5.439 -3.730 1.00 73.35 N ATOM 1079 CA THR A 74 -9.209 -5.950 -2.367 1.00 62.13 C ATOM 1080 C THR A 74 -9.790 -7.383 -2.289 1.00 45.34 C ATOM 1081 O THR A 74 -9.995 -7.902 -1.189 1.00 13.23 O ATOM 1082 CB THR A 74 -10.083 -4.956 -1.585 1.00 3.53 C ATOM 1083 OG1 THR A 74 -9.924 -5.182 -0.196 1.00 32.02 O ATOM 1084 CG2 THR A 74 -11.563 -5.022 -2.004 1.00 50.52 C ATOM 0 H THR A 74 -9.442 -4.544 -3.888 1.00 73.35 H new ATOM 0 HA THR A 74 -8.223 -6.035 -1.909 1.00 62.13 H new ATOM 0 HB THR A 74 -9.749 -3.946 -1.823 1.00 3.53 H new ATOM 0 HG1 THR A 74 -9.812 -6.142 -0.031 1.00 32.02 H new ATOM 0 HG21 THR A 74 -12.138 -4.301 -1.423 1.00 50.52 H new ATOM 0 HG22 THR A 74 -11.652 -4.787 -3.065 1.00 50.52 H new ATOM 0 HG23 THR A 74 -11.948 -6.025 -1.822 1.00 50.52 H new ATOM 1092 N GLY A 75 -10.109 -8.018 -3.416 1.00 23.40 N ATOM 1093 CA GLY A 75 -10.668 -9.361 -3.492 1.00 44.51 C ATOM 1094 C GLY A 75 -9.746 -10.394 -4.140 1.00 42.13 C ATOM 1095 O GLY A 75 -10.208 -11.500 -4.430 1.00 3.54 O ATOM 0 H GLY A 75 -9.979 -7.593 -4.334 1.00 23.40 H new ATOM 0 HA2 GLY A 75 -10.917 -9.695 -2.485 1.00 44.51 H new ATOM 0 HA3 GLY A 75 -11.601 -9.322 -4.054 1.00 44.51 H new ATOM 1099 N GLN A 76 -8.487 -10.055 -4.430 1.00 71.44 N ATOM 1100 CA GLN A 76 -7.490 -11.007 -4.924 1.00 22.04 C ATOM 1101 C GLN A 76 -6.614 -11.500 -3.776 1.00 33.21 C ATOM 1102 O GLN A 76 -6.755 -11.038 -2.646 1.00 72.04 O ATOM 1103 CB GLN A 76 -6.647 -10.365 -6.028 1.00 10.31 C ATOM 1104 CG GLN A 76 -7.495 -9.931 -7.220 1.00 22.24 C ATOM 1105 CD GLN A 76 -6.632 -9.756 -8.456 1.00 50.14 C ATOM 1106 OE1 GLN A 76 -6.225 -8.537 -8.752 1.00 5.12 O flip ATOM 1107 NE2 GLN A 76 -6.306 -10.714 -9.156 1.00 43.15 N flip ATOM 0 H GLN A 76 -8.129 -9.105 -4.328 1.00 71.44 H new ATOM 0 HA GLN A 76 -8.003 -11.869 -5.349 1.00 22.04 H new ATOM 0 HB2 GLN A 76 -6.120 -9.500 -5.625 1.00 10.31 H new ATOM 0 HB3 GLN A 76 -5.888 -11.073 -6.362 1.00 10.31 H new ATOM 0 HG2 GLN A 76 -8.268 -10.675 -7.413 1.00 22.24 H new ATOM 0 HG3 GLN A 76 -8.003 -8.995 -6.990 1.00 22.24 H new ATOM 0 HE21 GLN A 76 -6.627 -11.652 -8.917 1.00 43.15 H new ATOM 0 HE22 GLN A 76 -5.715 -10.570 -9.975 1.00 43.15 H new ATOM 1114 N ARG A 77 -5.718 -12.450 -4.043 1.00 52.44 N ATOM 1115 CA ARG A 77 -4.684 -12.852 -3.103 1.00 5.22 C ATOM 1116 C ARG A 77 -3.519 -13.458 -3.868 1.00 34.10 C ATOM 1117 O ARG A 77 -3.511 -14.671 -4.072 1.00 70.43 O ATOM 1118 CB ARG A 77 -5.247 -13.822 -2.053 1.00 4.30 C ATOM 1119 CG ARG A 77 -6.178 -14.921 -2.604 1.00 53.13 C ATOM 1120 CD ARG A 77 -6.164 -16.137 -1.676 1.00 52.33 C ATOM 1121 NE ARG A 77 -7.207 -17.105 -2.037 1.00 72.23 N ATOM 1122 CZ ARG A 77 -7.603 -18.138 -1.291 1.00 33.24 C ATOM 1123 NH1 ARG A 77 -6.897 -18.528 -0.238 1.00 63.21 N ATOM 1124 NH2 ARG A 77 -8.719 -18.786 -1.571 1.00 24.00 N ATOM 0 H ARG A 77 -5.693 -12.963 -4.924 1.00 52.44 H new ATOM 0 HA ARG A 77 -4.323 -11.977 -2.562 1.00 5.22 H new ATOM 0 HB2 ARG A 77 -4.413 -14.299 -1.539 1.00 4.30 H new ATOM 0 HB3 ARG A 77 -5.794 -13.246 -1.306 1.00 4.30 H new ATOM 0 HG2 ARG A 77 -7.193 -14.536 -2.696 1.00 53.13 H new ATOM 0 HG3 ARG A 77 -5.856 -15.213 -3.604 1.00 53.13 H new ATOM 0 HD2 ARG A 77 -5.188 -16.619 -1.722 1.00 52.33 H new ATOM 0 HD3 ARG A 77 -6.310 -15.811 -0.646 1.00 52.33 H new ATOM 0 HE ARG A 77 -7.670 -16.977 -2.937 1.00 72.23 H new ATOM 0 HH11 ARG A 77 -6.039 -18.036 0.011 1.00 63.21 H new ATOM 0 HH12 ARG A 77 -7.212 -19.319 0.323 1.00 63.21 H new ATOM 0 HH21 ARG A 77 -9.290 -18.499 -2.366 1.00 24.00 H new ATOM 0 HH22 ARG A 77 -9.010 -19.574 -0.992 1.00 24.00 H new ATOM 1135 N VAL A 78 -2.548 -12.653 -4.294 1.00 32.34 N ATOM 1136 CA VAL A 78 -1.395 -13.201 -5.003 1.00 65.43 C ATOM 1137 C VAL A 78 -0.695 -14.183 -4.080 1.00 11.41 C ATOM 1138 O VAL A 78 -0.218 -13.798 -3.016 1.00 54.34 O ATOM 1139 CB VAL A 78 -0.427 -12.152 -5.585 1.00 72.21 C ATOM 1140 CG1 VAL A 78 -1.042 -11.531 -6.839 1.00 63.23 C ATOM 1141 CG2 VAL A 78 0.033 -11.038 -4.627 1.00 52.43 C ATOM 0 H VAL A 78 -2.535 -11.641 -4.165 1.00 32.34 H new ATOM 0 HA VAL A 78 -1.767 -13.709 -5.892 1.00 65.43 H new ATOM 0 HB VAL A 78 0.482 -12.710 -5.808 1.00 72.21 H new ATOM 0 HG11 VAL A 78 -0.358 -10.789 -7.251 1.00 63.23 H new ATOM 0 HG12 VAL A 78 -1.222 -12.310 -7.580 1.00 63.23 H new ATOM 0 HG13 VAL A 78 -1.986 -11.051 -6.582 1.00 63.23 H new ATOM 0 HG21 VAL A 78 0.710 -10.363 -5.152 1.00 52.43 H new ATOM 0 HG22 VAL A 78 -0.834 -10.480 -4.275 1.00 52.43 H new ATOM 0 HG23 VAL A 78 0.550 -11.481 -3.776 1.00 52.43 H new ATOM 1151 N LEU A 79 -0.717 -15.467 -4.436 1.00 14.51 N ATOM 1152 CA LEU A 79 -0.132 -16.548 -3.646 1.00 45.43 C ATOM 1153 C LEU A 79 -0.722 -16.685 -2.241 1.00 31.14 C ATOM 1154 O LEU A 79 -0.166 -17.421 -1.426 1.00 23.22 O ATOM 1155 CB LEU A 79 1.402 -16.410 -3.600 1.00 24.42 C ATOM 1156 CG LEU A 79 2.070 -16.176 -4.964 1.00 1.32 C ATOM 1157 CD1 LEU A 79 3.578 -16.122 -4.767 1.00 72.33 C ATOM 1158 CD2 LEU A 79 1.719 -17.287 -5.949 1.00 22.04 C ATOM 0 H LEU A 79 -1.151 -15.791 -5.300 1.00 14.51 H new ATOM 0 HA LEU A 79 -0.394 -17.475 -4.156 1.00 45.43 H new ATOM 0 HB2 LEU A 79 1.658 -15.582 -2.939 1.00 24.42 H new ATOM 0 HB3 LEU A 79 1.821 -17.313 -3.157 1.00 24.42 H new ATOM 0 HG LEU A 79 1.707 -15.235 -5.378 1.00 1.32 H new ATOM 0 HD11 LEU A 79 4.065 -15.956 -5.728 1.00 72.33 H new ATOM 0 HD12 LEU A 79 3.827 -15.306 -4.088 1.00 72.33 H new ATOM 0 HD13 LEU A 79 3.924 -17.065 -4.343 1.00 72.33 H new ATOM 0 HD21 LEU A 79 2.206 -17.093 -6.905 1.00 22.04 H new ATOM 0 HD22 LEU A 79 2.061 -18.244 -5.555 1.00 22.04 H new ATOM 0 HD23 LEU A 79 0.639 -17.318 -6.092 1.00 22.04 H new ATOM 1169 N GLY A 80 -1.849 -16.038 -1.940 1.00 3.13 N ATOM 1170 CA GLY A 80 -2.364 -15.997 -0.580 1.00 53.22 C ATOM 1171 C GLY A 80 -2.045 -14.697 0.150 1.00 65.25 C ATOM 1172 O GLY A 80 -2.257 -14.633 1.361 1.00 4.50 O ATOM 0 H GLY A 80 -2.418 -15.537 -2.622 1.00 3.13 H new ATOM 0 HA2 GLY A 80 -3.445 -16.135 -0.605 1.00 53.22 H new ATOM 0 HA3 GLY A 80 -1.948 -16.833 -0.017 1.00 53.22 H new ATOM 1176 N VAL A 81 -1.598 -13.656 -0.555 1.00 53.24 N ATOM 1177 CA VAL A 81 -1.395 -12.309 -0.038 1.00 51.51 C ATOM 1178 C VAL A 81 -2.532 -11.417 -0.554 1.00 5.33 C ATOM 1179 O VAL A 81 -2.372 -10.768 -1.590 1.00 4.11 O ATOM 1180 CB VAL A 81 0.003 -11.794 -0.434 1.00 34.04 C ATOM 1181 CG1 VAL A 81 0.286 -10.410 0.165 1.00 34.14 C ATOM 1182 CG2 VAL A 81 1.104 -12.755 0.040 1.00 63.02 C ATOM 0 H VAL A 81 -1.359 -13.736 -1.543 1.00 53.24 H new ATOM 0 HA VAL A 81 -1.426 -12.299 1.052 1.00 51.51 H new ATOM 0 HB VAL A 81 0.010 -11.728 -1.522 1.00 34.04 H new ATOM 0 HG11 VAL A 81 1.280 -10.080 -0.136 1.00 34.14 H new ATOM 0 HG12 VAL A 81 -0.457 -9.699 -0.195 1.00 34.14 H new ATOM 0 HG13 VAL A 81 0.236 -10.467 1.252 1.00 34.14 H new ATOM 0 HG21 VAL A 81 2.079 -12.365 -0.254 1.00 63.02 H new ATOM 0 HG22 VAL A 81 1.063 -12.849 1.125 1.00 63.02 H new ATOM 0 HG23 VAL A 81 0.953 -13.734 -0.415 1.00 63.02 H new ATOM 1192 N PRO A 82 -3.693 -11.382 0.119 1.00 32.13 N ATOM 1193 CA PRO A 82 -4.730 -10.389 -0.128 1.00 42.32 C ATOM 1194 C PRO A 82 -4.288 -8.997 0.344 1.00 51.35 C ATOM 1195 O PRO A 82 -3.197 -8.825 0.892 1.00 31.00 O ATOM 1196 CB PRO A 82 -5.953 -10.899 0.644 1.00 13.53 C ATOM 1197 CG PRO A 82 -5.317 -11.608 1.831 1.00 51.23 C ATOM 1198 CD PRO A 82 -4.072 -12.234 1.232 1.00 44.15 C ATOM 0 HA PRO A 82 -4.949 -10.273 -1.189 1.00 42.32 H new ATOM 0 HB2 PRO A 82 -6.604 -10.083 0.959 1.00 13.53 H new ATOM 0 HB3 PRO A 82 -6.559 -11.577 0.043 1.00 13.53 H new ATOM 0 HG2 PRO A 82 -5.072 -10.911 2.633 1.00 51.23 H new ATOM 0 HG3 PRO A 82 -5.982 -12.360 2.255 1.00 51.23 H new ATOM 0 HD2 PRO A 82 -3.271 -12.293 1.969 1.00 44.15 H new ATOM 0 HD3 PRO A 82 -4.270 -13.251 0.895 1.00 44.15 H new ATOM 1203 N ILE A 83 -5.146 -7.999 0.161 1.00 64.33 N ATOM 1204 CA ILE A 83 -4.978 -6.615 0.589 1.00 74.43 C ATOM 1205 C ILE A 83 -6.249 -6.184 1.352 1.00 12.42 C ATOM 1206 O ILE A 83 -7.166 -6.987 1.533 1.00 41.22 O ATOM 1207 CB ILE A 83 -4.540 -5.761 -0.636 1.00 21.24 C ATOM 1208 CG1 ILE A 83 -4.308 -4.281 -0.264 1.00 50.24 C ATOM 1209 CG2 ILE A 83 -5.426 -5.899 -1.894 1.00 52.35 C ATOM 1210 CD1 ILE A 83 -3.401 -3.507 -1.219 1.00 41.35 C ATOM 0 H ILE A 83 -6.033 -8.144 -0.321 1.00 64.33 H new ATOM 0 HA ILE A 83 -4.172 -6.467 1.308 1.00 74.43 H new ATOM 0 HB ILE A 83 -3.584 -6.196 -0.926 1.00 21.24 H new ATOM 0 HG12 ILE A 83 -5.274 -3.778 -0.218 1.00 50.24 H new ATOM 0 HG13 ILE A 83 -3.878 -4.237 0.737 1.00 50.24 H new ATOM 0 HG21 ILE A 83 -5.033 -5.263 -2.687 1.00 52.35 H new ATOM 0 HG22 ILE A 83 -5.426 -6.937 -2.227 1.00 52.35 H new ATOM 0 HG23 ILE A 83 -6.445 -5.595 -1.656 1.00 52.35 H new ATOM 0 HD11 ILE A 83 -3.300 -2.479 -0.872 1.00 41.35 H new ATOM 0 HD12 ILE A 83 -2.418 -3.978 -1.249 1.00 41.35 H new ATOM 0 HD13 ILE A 83 -3.836 -3.512 -2.218 1.00 41.35 H new ATOM 1221 N ILE A 84 -6.279 -4.960 1.885 1.00 34.14 N ATOM 1222 CA ILE A 84 -7.449 -4.293 2.459 1.00 45.31 C ATOM 1223 C ILE A 84 -7.585 -2.928 1.768 1.00 11.31 C ATOM 1224 O ILE A 84 -6.579 -2.289 1.463 1.00 50.33 O ATOM 1225 CB ILE A 84 -7.278 -4.112 3.989 1.00 70.25 C ATOM 1226 CG1 ILE A 84 -7.017 -5.426 4.754 1.00 41.33 C ATOM 1227 CG2 ILE A 84 -8.481 -3.392 4.630 1.00 11.12 C ATOM 1228 CD1 ILE A 84 -8.160 -6.444 4.727 1.00 70.31 C ATOM 0 H ILE A 84 -5.443 -4.377 1.930 1.00 34.14 H new ATOM 0 HA ILE A 84 -8.345 -4.893 2.301 1.00 45.31 H new ATOM 0 HB ILE A 84 -6.386 -3.492 4.082 1.00 70.25 H new ATOM 0 HG12 ILE A 84 -6.125 -5.896 4.339 1.00 41.33 H new ATOM 0 HG13 ILE A 84 -6.795 -5.183 5.793 1.00 41.33 H new ATOM 0 HG21 ILE A 84 -8.314 -3.289 5.702 1.00 11.12 H new ATOM 0 HG22 ILE A 84 -8.594 -2.404 4.184 1.00 11.12 H new ATOM 0 HG23 ILE A 84 -9.387 -3.973 4.458 1.00 11.12 H new ATOM 0 HD11 ILE A 84 -7.872 -7.329 5.294 1.00 70.31 H new ATOM 0 HD12 ILE A 84 -9.051 -6.002 5.172 1.00 70.31 H new ATOM 0 HD13 ILE A 84 -8.371 -6.727 3.696 1.00 70.31 H new ATOM 1239 N VAL A 85 -8.816 -2.454 1.594 1.00 21.21 N ATOM 1240 CA VAL A 85 -9.177 -1.217 0.901 1.00 42.13 C ATOM 1241 C VAL A 85 -8.662 0.089 1.523 1.00 43.14 C ATOM 1242 O VAL A 85 -8.831 1.132 0.894 1.00 30.13 O ATOM 1243 CB VAL A 85 -10.713 -1.144 0.806 1.00 65.02 C ATOM 1244 CG1 VAL A 85 -11.287 -2.318 0.031 1.00 31.30 C ATOM 1245 CG2 VAL A 85 -11.405 -1.062 2.176 1.00 1.20 C ATOM 0 H VAL A 85 -9.634 -2.948 1.951 1.00 21.21 H new ATOM 0 HA VAL A 85 -8.684 -1.279 -0.069 1.00 42.13 H new ATOM 0 HB VAL A 85 -10.917 -0.217 0.270 1.00 65.02 H new ATOM 0 HG11 VAL A 85 -12.372 -2.229 -0.013 1.00 31.30 H new ATOM 0 HG12 VAL A 85 -10.882 -2.319 -0.981 1.00 31.30 H new ATOM 0 HG13 VAL A 85 -11.019 -3.249 0.530 1.00 31.30 H new ATOM 0 HG21 VAL A 85 -12.485 -1.013 2.036 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -11.155 -1.945 2.763 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -11.067 -0.169 2.702 1.00 1.20 H new ATOM 1255 N GLN A 86 -8.104 0.076 2.743 1.00 42.55 N ATOM 1256 CA GLN A 86 -7.858 1.312 3.497 1.00 13.14 C ATOM 1257 C GLN A 86 -7.000 2.310 2.734 1.00 21.30 C ATOM 1258 O GLN A 86 -7.299 3.500 2.766 1.00 5.22 O ATOM 1259 CB GLN A 86 -7.232 1.043 4.884 1.00 2.10 C ATOM 1260 CG GLN A 86 -8.279 0.640 5.942 1.00 74.21 C ATOM 1261 CD GLN A 86 -7.915 0.937 7.410 1.00 3.52 C ATOM 1262 OE1 GLN A 86 -8.289 0.176 8.310 1.00 61.24 O ATOM 1263 NE2 GLN A 86 -7.266 2.050 7.704 1.00 64.22 N ATOM 0 H GLN A 86 -7.816 -0.775 3.226 1.00 42.55 H new ATOM 0 HA GLN A 86 -8.844 1.754 3.641 1.00 13.14 H new ATOM 0 HB2 GLN A 86 -6.488 0.251 4.795 1.00 2.10 H new ATOM 0 HB3 GLN A 86 -6.707 1.937 5.221 1.00 2.10 H new ATOM 0 HG2 GLN A 86 -9.213 1.151 5.711 1.00 74.21 H new ATOM 0 HG3 GLN A 86 -8.469 -0.429 5.846 1.00 74.21 H new ATOM 0 HE21 GLN A 86 -6.960 2.674 6.958 1.00 64.22 H new ATOM 0 HE22 GLN A 86 -7.071 2.285 8.677 1.00 64.22 H new ATOM 1270 N ALA A 87 -5.947 1.843 2.056 1.00 13.23 N ATOM 1271 CA ALA A 87 -4.887 2.666 1.538 1.00 50.14 C ATOM 1272 C ALA A 87 -4.213 3.436 2.681 1.00 14.54 C ATOM 1273 O ALA A 87 -4.547 3.292 3.858 1.00 52.14 O ATOM 1274 CB ALA A 87 -5.399 3.518 0.380 1.00 72.41 C ATOM 0 H ALA A 87 -5.819 0.851 1.855 1.00 13.23 H new ATOM 0 HA ALA A 87 -4.095 2.055 1.105 1.00 50.14 H new ATOM 0 HB1 ALA A 87 -4.587 4.136 -0.003 1.00 72.41 H new ATOM 0 HB2 ALA A 87 -5.767 2.869 -0.414 1.00 72.41 H new ATOM 0 HB3 ALA A 87 -6.209 4.158 0.730 1.00 72.41 H new ATOM 1280 N SER A 88 -3.155 4.149 2.347 1.00 75.41 N ATOM 1281 CA SER A 88 -2.501 5.083 3.258 1.00 22.10 C ATOM 1282 C SER A 88 -3.221 6.416 3.062 1.00 64.24 C ATOM 1283 O SER A 88 -3.051 7.055 2.022 1.00 13.22 O ATOM 1284 CB SER A 88 -1.008 5.173 2.932 1.00 52.13 C ATOM 1285 OG SER A 88 -0.234 5.606 4.037 1.00 42.45 O ATOM 0 H SER A 88 -2.717 4.099 1.427 1.00 75.41 H new ATOM 0 HA SER A 88 -2.561 4.769 4.300 1.00 22.10 H new ATOM 0 HB2 SER A 88 -0.652 4.196 2.604 1.00 52.13 H new ATOM 0 HB3 SER A 88 -0.863 5.861 2.099 1.00 52.13 H new ATOM 0 HG SER A 88 0.127 4.827 4.509 1.00 42.45 H new ATOM 1290 N GLN A 89 -4.104 6.789 3.981 1.00 21.21 N ATOM 1291 CA GLN A 89 -4.937 7.987 3.891 1.00 20.03 C ATOM 1292 C GLN A 89 -4.637 8.889 5.084 1.00 2.24 C ATOM 1293 O GLN A 89 -3.975 8.474 6.046 1.00 4.13 O ATOM 1294 CB GLN A 89 -6.440 7.689 3.678 1.00 73.33 C ATOM 1295 CG GLN A 89 -6.905 6.332 4.166 1.00 21.34 C ATOM 1296 CD GLN A 89 -6.801 6.182 5.680 1.00 23.12 C ATOM 1297 OE1 GLN A 89 -5.758 5.785 6.194 1.00 20.42 O ATOM 1298 NE2 GLN A 89 -7.844 6.514 6.423 1.00 31.32 N ATOM 0 H GLN A 89 -4.266 6.253 4.834 1.00 21.21 H new ATOM 0 HA GLN A 89 -4.673 8.528 2.983 1.00 20.03 H new ATOM 0 HB2 GLN A 89 -7.022 8.459 4.185 1.00 73.33 H new ATOM 0 HB3 GLN A 89 -6.663 7.770 2.614 1.00 73.33 H new ATOM 0 HG2 GLN A 89 -7.939 6.176 3.860 1.00 21.34 H new ATOM 0 HG3 GLN A 89 -6.310 5.555 3.687 1.00 21.34 H new ATOM 0 HE21 GLN A 89 -8.702 6.842 5.980 1.00 31.32 H new ATOM 0 HE22 GLN A 89 -7.790 6.442 7.439 1.00 31.32 H new ATOM 1305 N ALA A 90 -5.109 10.136 5.011 1.00 52.14 N ATOM 1306 CA ALA A 90 -5.113 10.984 6.180 1.00 3.42 C ATOM 1307 C ALA A 90 -6.090 10.386 7.174 1.00 61.11 C ATOM 1308 O ALA A 90 -7.278 10.265 6.889 1.00 2.10 O ATOM 1309 CB ALA A 90 -5.563 12.400 5.851 1.00 0.54 C ATOM 0 H ALA A 90 -5.485 10.565 4.165 1.00 52.14 H new ATOM 0 HA ALA A 90 -4.101 11.039 6.580 1.00 3.42 H new ATOM 0 HB1 ALA A 90 -5.552 13.005 6.757 1.00 0.54 H new ATOM 0 HB2 ALA A 90 -4.886 12.835 5.116 1.00 0.54 H new ATOM 0 HB3 ALA A 90 -6.574 12.375 5.444 1.00 0.54 H new ATOM 1315 N GLU A 91 -5.595 10.089 8.361 1.00 20.40 N ATOM 1316 CA GLU A 91 -6.409 9.708 9.492 1.00 34.00 C ATOM 1317 C GLU A 91 -6.856 11.018 10.151 1.00 2.30 C ATOM 1318 O GLU A 91 -6.452 11.354 11.264 1.00 11.21 O ATOM 1319 CB GLU A 91 -5.551 8.776 10.356 1.00 21.10 C ATOM 1320 CG GLU A 91 -6.362 7.929 11.329 1.00 61.33 C ATOM 1321 CD GLU A 91 -6.674 8.630 12.648 1.00 20.44 C ATOM 1322 OE1 GLU A 91 -5.754 8.724 13.503 1.00 31.41 O ATOM 1323 OE2 GLU A 91 -7.833 9.070 12.810 1.00 31.02 O ATOM 0 H GLU A 91 -4.596 10.107 8.566 1.00 20.40 H new ATOM 0 HA GLU A 91 -7.317 9.151 9.262 1.00 34.00 H new ATOM 0 HB2 GLU A 91 -4.977 8.117 9.705 1.00 21.10 H new ATOM 0 HB3 GLU A 91 -4.833 9.374 10.918 1.00 21.10 H new ATOM 0 HG2 GLU A 91 -7.299 7.641 10.851 1.00 61.33 H new ATOM 0 HG3 GLU A 91 -5.815 7.010 11.538 1.00 61.33 H new ATOM 1328 N LYS A 92 -7.572 11.840 9.383 1.00 63.04 N ATOM 1329 CA LYS A 92 -8.097 13.145 9.779 1.00 44.43 C ATOM 1330 C LYS A 92 -9.466 13.330 9.133 1.00 14.21 C ATOM 1331 O LYS A 92 -9.838 12.591 8.223 1.00 13.42 O ATOM 1332 CB LYS A 92 -7.161 14.293 9.342 1.00 71.14 C ATOM 1333 CG LYS A 92 -5.705 14.112 9.799 1.00 23.24 C ATOM 1334 CD LYS A 92 -4.846 15.369 9.623 1.00 13.10 C ATOM 1335 CE LYS A 92 -5.086 16.351 10.773 1.00 3.03 C ATOM 1336 NZ LYS A 92 -4.016 17.365 10.866 1.00 34.22 N ATOM 0 H LYS A 92 -7.813 11.601 8.421 1.00 63.04 H new ATOM 0 HA LYS A 92 -8.172 13.177 10.866 1.00 44.43 H new ATOM 0 HB2 LYS A 92 -7.184 14.375 8.255 1.00 71.14 H new ATOM 0 HB3 LYS A 92 -7.543 15.233 9.740 1.00 71.14 H new ATOM 0 HG2 LYS A 92 -5.696 13.820 10.849 1.00 23.24 H new ATOM 0 HG3 LYS A 92 -5.256 13.293 9.237 1.00 23.24 H new ATOM 0 HD2 LYS A 92 -3.792 15.094 9.587 1.00 13.10 H new ATOM 0 HD3 LYS A 92 -5.083 15.848 8.673 1.00 13.10 H new ATOM 0 HE2 LYS A 92 -6.046 16.848 10.631 1.00 3.03 H new ATOM 0 HE3 LYS A 92 -5.148 15.801 11.712 1.00 3.03 H new ATOM 0 HZ1 LYS A 92 -4.217 18.010 11.657 1.00 34.22 H new ATOM 0 HZ2 LYS A 92 -3.103 16.893 11.027 1.00 34.22 H new ATOM 0 HZ3 LYS A 92 -3.974 17.907 9.980 1.00 34.22 H new ATOM 1346 N ASN A 93 -10.208 14.319 9.612 1.00 12.44 N ATOM 1347 CA ASN A 93 -11.370 14.935 8.980 1.00 14.24 C ATOM 1348 C ASN A 93 -11.455 16.302 9.651 1.00 40.54 C ATOM 1349 O ASN A 93 -11.182 16.373 10.859 1.00 12.51 O ATOM 1350 CB ASN A 93 -12.645 14.124 9.256 1.00 41.21 C ATOM 1351 CG ASN A 93 -13.698 14.333 8.177 1.00 12.41 C ATOM 1352 OD1 ASN A 93 -13.714 13.625 7.178 1.00 55.14 O ATOM 1353 ND2 ASN A 93 -14.622 15.258 8.340 1.00 52.43 N ATOM 0 H ASN A 93 -10.000 14.743 10.516 1.00 12.44 H new ATOM 0 HA ASN A 93 -11.278 14.990 7.895 1.00 14.24 H new ATOM 0 HB2 ASN A 93 -12.395 13.065 9.318 1.00 41.21 H new ATOM 0 HB3 ASN A 93 -13.055 14.412 10.224 1.00 41.21 H new ATOM 0 HD21 ASN A 93 -15.348 15.383 7.635 1.00 52.43 H new ATOM 0 HD22 ASN A 93 -14.611 15.849 9.171 1.00 52.43 H new ATOM 1359 N ARG A 94 -11.755 17.380 8.936 1.00 42.14 N ATOM 1360 CA ARG A 94 -11.943 18.709 9.510 1.00 0.40 C ATOM 1361 C ARG A 94 -12.792 19.513 8.539 1.00 23.14 C ATOM 1362 O ARG A 94 -13.420 18.894 7.642 1.00 42.23 O ATOM 1363 CB ARG A 94 -10.580 19.370 9.814 1.00 31.53 C ATOM 1364 CG ARG A 94 -10.693 20.551 10.795 1.00 63.41 C ATOM 1365 CD ARG A 94 -9.353 20.866 11.475 1.00 32.51 C ATOM 1366 NE ARG A 94 -9.280 20.321 12.838 1.00 35.20 N ATOM 1367 CZ ARG A 94 -8.182 20.200 13.591 1.00 43.34 C ATOM 1368 NH1 ARG A 94 -7.000 20.646 13.171 1.00 23.22 N ATOM 1369 NH2 ARG A 94 -8.290 19.620 14.778 1.00 71.22 N ATOM 0 H ARG A 94 -11.877 17.356 7.924 1.00 42.14 H new ATOM 0 HA ARG A 94 -12.461 18.656 10.467 1.00 0.40 H new ATOM 0 HB2 ARG A 94 -9.904 18.623 10.229 1.00 31.53 H new ATOM 0 HB3 ARG A 94 -10.135 19.719 8.882 1.00 31.53 H new ATOM 0 HG2 ARG A 94 -11.044 21.434 10.260 1.00 63.41 H new ATOM 0 HG3 ARG A 94 -11.440 20.320 11.555 1.00 63.41 H new ATOM 0 HD2 ARG A 94 -8.539 20.456 10.877 1.00 32.51 H new ATOM 0 HD3 ARG A 94 -9.210 21.946 11.509 1.00 32.51 H new ATOM 0 HE ARG A 94 -10.156 20.003 13.252 1.00 35.20 H new ATOM 0 HH11 ARG A 94 -6.918 21.091 12.257 1.00 23.22 H new ATOM 0 HH12 ARG A 94 -6.176 20.542 13.763 1.00 23.22 H new ATOM 0 HH21 ARG A 94 -9.196 19.278 15.098 1.00 71.22 H new ATOM 0 HH22 ARG A 94 -7.467 19.516 15.371 1.00 71.22 H new TER 1380 ARG A 94