USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 749 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 101 LYS NZ :NH3+ -123:sc= -0.0029 (180deg=0) USER MOD Set 1.2: A 105 GLN : amide:sc=-0.00462 K(o=-0.0075,f=0.65) USER MOD Set 2.1: A 59 MET CE :methyl -139:sc= -11.2! (180deg=-5.61!) USER MOD Set 2.2: A 88 MET CE :methyl -142:sc= -13! (180deg=-19.3!) USER MOD Set 2.3: B 72 THR OG1 : rot 81:sc= -9.07! USER MOD Set 3.1: A 51 THR OG1 : rot 96:sc= -0.546 USER MOD Set 3.2: A 97 MET CE :methyl 153:sc= -7.81! (180deg=-10.6!) USER MOD Set 4.1: A 47 LYS NZ :NH3+ 155:sc= -0.106 (180deg=0) USER MOD Set 4.2: A 112 LYS NZ :NH3+ 174:sc= -0.107 (180deg=0) USER MOD Set 5.1: A 28 THR OG1 : rot -71:sc= -5.58! USER MOD Set 5.2: A 39 THR OG1 : rot -95:sc= 1.11 USER MOD Set 6.1: A 13 SER OG : rot 71:sc= 0.97 USER MOD Set 6.2: A 32 THR OG1 : rot 141:sc= 0.973 USER MOD Single : A 3 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-1.5!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.44 K(o=-0.44,f=-2.4!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -117:sc= 1.66 USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 1.39 (180deg=1.37) USER MOD Single : A 38 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.038) USER MOD Single : A 43 SER OG : rot -144:sc= -1.16 USER MOD Single : A 44 THR OG1 : rot 39:sc= 0.0207 USER MOD Single : A 49 GLN : amide:sc= -1.37 K(o=-1.4,f=-4.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 13:sc= -7.34! USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= -0.976 (180deg=-1.77!) USER MOD Single : A 58 MET CE :methyl -175:sc= -2.53 (180deg=-2.68) USER MOD Single : A 87 HIS : no HE2:sc= -3.18 K(o=-3.2,f=-2.6!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.7) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.176 K(o=-0.18,f=-2!) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.026 K(o=-0.026,f=-1.4) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 0.152 -13.824 3.989 1.00 0.00 N ATOM 29 CA HIS A 3 0.780 -13.371 2.748 1.00 0.00 C ATOM 30 C HIS A 3 -0.212 -13.370 1.596 1.00 0.00 C ATOM 31 O HIS A 3 -0.445 -12.343 0.960 1.00 0.00 O ATOM 32 CB HIS A 3 1.991 -14.241 2.398 1.00 0.00 C ATOM 33 CG HIS A 3 2.857 -14.564 3.576 1.00 0.00 C ATOM 34 ND1 HIS A 3 2.704 -15.707 4.333 1.00 0.00 N ATOM 35 CD2 HIS A 3 3.893 -13.887 4.127 1.00 0.00 C ATOM 36 CE1 HIS A 3 3.606 -15.718 5.299 1.00 0.00 C ATOM 37 NE2 HIS A 3 4.340 -14.625 5.195 1.00 0.00 N ATOM 0 HA HIS A 3 1.120 -12.348 2.909 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.642 -15.171 1.948 1.00 0.00 H new ATOM 0 HB3 HIS A 3 2.591 -13.728 1.646 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.293 -12.942 3.789 1.00 0.00 H new ATOM 0 HE1 HIS A 3 3.723 -16.489 6.046 1.00 0.00 H new ATOM 0 HE2 HIS A 3 5.114 -14.370 5.809 1.00 0.00 H new ATOM 46 N SER A 4 -0.796 -14.523 1.334 1.00 0.00 N ATOM 47 CA SER A 4 -1.771 -14.646 0.261 1.00 0.00 C ATOM 48 C SER A 4 -3.141 -14.186 0.731 1.00 0.00 C ATOM 49 O SER A 4 -3.611 -14.570 1.802 1.00 0.00 O ATOM 50 CB SER A 4 -1.854 -16.081 -0.256 1.00 0.00 C ATOM 51 OG SER A 4 -2.350 -16.958 0.741 1.00 0.00 O ATOM 0 H SER A 4 -0.615 -15.387 1.846 1.00 0.00 H new ATOM 0 HA SER A 4 -1.441 -14.007 -0.558 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.502 -16.118 -1.131 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.866 -16.412 -0.577 1.00 0.00 H new ATOM 0 HG SER A 4 -2.394 -17.869 0.383 1.00 0.00 H new ATOM 57 N GLY A 5 -3.769 -13.358 -0.083 1.00 0.00 N ATOM 58 CA GLY A 5 -5.079 -12.835 0.238 1.00 0.00 C ATOM 59 C GLY A 5 -5.765 -12.298 -0.994 1.00 0.00 C ATOM 60 O GLY A 5 -5.207 -12.359 -2.087 1.00 0.00 O ATOM 0 H GLY A 5 -3.390 -13.034 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.689 -13.621 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.986 -12.043 0.981 1.00 0.00 H new ATOM 64 N ALA A 6 -6.970 -11.776 -0.834 1.00 0.00 N ATOM 65 CA ALA A 6 -7.699 -11.237 -1.969 1.00 0.00 C ATOM 66 C ALA A 6 -7.746 -9.717 -1.927 1.00 0.00 C ATOM 67 O ALA A 6 -7.923 -9.114 -0.868 1.00 0.00 O ATOM 68 CB ALA A 6 -9.101 -11.814 -2.032 1.00 0.00 C ATOM 0 H ALA A 6 -7.459 -11.714 0.059 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.165 -11.529 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.628 -11.396 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.044 -12.898 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.639 -11.563 -1.118 1.00 0.00 H new ATOM 74 N ALA A 7 -7.587 -9.111 -3.094 1.00 0.00 N ATOM 75 CA ALA A 7 -7.610 -7.661 -3.221 1.00 0.00 C ATOM 76 C ALA A 7 -8.191 -7.259 -4.565 1.00 0.00 C ATOM 77 O ALA A 7 -8.248 -8.072 -5.488 1.00 0.00 O ATOM 78 CB ALA A 7 -6.211 -7.089 -3.048 1.00 0.00 C ATOM 0 H ALA A 7 -7.439 -9.606 -3.974 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.245 -7.253 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.247 -6.004 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.830 -7.352 -2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.552 -7.501 -3.813 1.00 0.00 H new ATOM 84 N ILE A 8 -8.632 -6.013 -4.680 1.00 0.00 N ATOM 85 CA ILE A 8 -9.212 -5.548 -5.928 1.00 0.00 C ATOM 86 C ILE A 8 -8.638 -4.208 -6.368 1.00 0.00 C ATOM 87 O ILE A 8 -8.349 -3.336 -5.549 1.00 0.00 O ATOM 88 CB ILE A 8 -10.741 -5.427 -5.825 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.357 -6.778 -5.475 1.00 0.00 C ATOM 90 CG2 ILE A 8 -11.311 -4.915 -7.136 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.544 -6.675 -4.545 1.00 0.00 C ATOM 0 H ILE A 8 -8.599 -5.317 -3.935 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.956 -6.298 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.984 -4.719 -5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.667 -7.276 -6.394 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.596 -7.407 -5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.395 -4.832 -7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.888 -3.935 -7.359 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.060 -5.609 -7.938 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.932 -7.672 -4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.235 -6.205 -3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.322 -6.073 -5.014 1.00 0.00 H new ATOM 103 N PHE A 9 -8.495 -4.058 -7.678 1.00 0.00 N ATOM 104 CA PHE A 9 -7.976 -2.833 -8.266 1.00 0.00 C ATOM 105 C PHE A 9 -8.729 -2.508 -9.553 1.00 0.00 C ATOM 106 O PHE A 9 -9.111 -3.406 -10.298 1.00 0.00 O ATOM 107 CB PHE A 9 -6.478 -2.957 -8.543 1.00 0.00 C ATOM 108 CG PHE A 9 -5.818 -1.634 -8.800 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.128 -0.908 -9.936 1.00 0.00 C ATOM 110 CD2 PHE A 9 -4.896 -1.116 -7.906 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.529 0.314 -10.179 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.293 0.105 -8.142 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.610 0.821 -9.281 1.00 0.00 C ATOM 0 H PHE A 9 -8.734 -4.779 -8.359 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.125 -2.020 -7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.995 -3.438 -7.692 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.326 -3.606 -9.405 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.846 -1.300 -10.641 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.645 -1.672 -7.015 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.779 0.871 -11.070 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.575 0.499 -7.438 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.140 1.775 -9.469 1.00 0.00 H new ATOM 123 N GLU A 10 -8.936 -1.218 -9.803 1.00 0.00 N ATOM 124 CA GLU A 10 -9.646 -0.749 -10.993 1.00 0.00 C ATOM 125 C GLU A 10 -10.873 -1.611 -11.283 1.00 0.00 C ATOM 126 O GLU A 10 -11.149 -1.951 -12.433 1.00 0.00 O ATOM 127 CB GLU A 10 -8.717 -0.749 -12.200 1.00 0.00 C ATOM 128 CG GLU A 10 -8.196 -2.127 -12.527 1.00 0.00 C ATOM 129 CD GLU A 10 -7.262 -2.136 -13.722 1.00 0.00 C ATOM 130 OE1 GLU A 10 -6.147 -1.586 -13.607 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.647 -2.693 -14.772 1.00 0.00 O ATOM 0 H GLU A 10 -8.618 -0.468 -9.189 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.982 0.270 -10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.249 -0.350 -13.064 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.876 -0.082 -12.008 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.672 -2.527 -11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.038 -2.791 -12.725 1.00 0.00 H new ATOM 138 N LYS A 11 -11.609 -1.949 -10.230 1.00 0.00 N ATOM 139 CA LYS A 11 -12.819 -2.759 -10.357 1.00 0.00 C ATOM 140 C LYS A 11 -12.509 -4.182 -10.821 1.00 0.00 C ATOM 141 O LYS A 11 -13.407 -4.905 -11.252 1.00 0.00 O ATOM 142 CB LYS A 11 -13.814 -2.107 -11.329 1.00 0.00 C ATOM 143 CG LYS A 11 -13.551 -0.633 -11.597 1.00 0.00 C ATOM 144 CD LYS A 11 -14.820 0.097 -12.006 1.00 0.00 C ATOM 145 CE LYS A 11 -14.541 1.153 -13.063 1.00 0.00 C ATOM 146 NZ LYS A 11 -15.721 2.029 -13.299 1.00 0.00 N ATOM 0 H LYS A 11 -11.389 -1.674 -9.273 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.266 -2.815 -9.365 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.787 -2.647 -12.275 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.821 -2.217 -10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.136 -0.169 -10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.804 -0.534 -12.384 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.546 -0.620 -12.390 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.269 0.567 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.693 1.763 -12.752 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.258 0.666 -13.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.489 2.735 -14.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.524 1.451 -13.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.976 2.514 -12.415 1.00 0.00 H new ATOM 160 N VAL A 12 -11.247 -4.593 -10.724 1.00 0.00 N ATOM 161 CA VAL A 12 -10.860 -5.940 -11.128 1.00 0.00 C ATOM 162 C VAL A 12 -10.318 -6.713 -9.936 1.00 0.00 C ATOM 163 O VAL A 12 -9.339 -6.301 -9.315 1.00 0.00 O ATOM 164 CB VAL A 12 -9.802 -5.927 -12.246 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.626 -7.323 -12.824 1.00 0.00 C ATOM 166 CG2 VAL A 12 -10.183 -4.937 -13.336 1.00 0.00 C ATOM 0 H VAL A 12 -10.482 -4.018 -10.372 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.756 -6.427 -11.513 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.851 -5.609 -11.818 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.875 -7.298 -13.613 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.303 -8.005 -12.037 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.574 -7.668 -13.236 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.422 -4.944 -14.116 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.144 -5.220 -13.765 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.256 -3.937 -12.909 1.00 0.00 H new ATOM 176 N SER A 13 -10.967 -7.823 -9.606 1.00 0.00 N ATOM 177 CA SER A 13 -10.546 -8.630 -8.471 1.00 0.00 C ATOM 178 C SER A 13 -9.420 -9.584 -8.839 1.00 0.00 C ATOM 179 O SER A 13 -9.235 -9.944 -10.002 1.00 0.00 O ATOM 180 CB SER A 13 -11.722 -9.414 -7.894 1.00 0.00 C ATOM 181 OG SER A 13 -12.314 -10.248 -8.876 1.00 0.00 O ATOM 0 H SER A 13 -11.781 -8.182 -10.105 1.00 0.00 H new ATOM 0 HA SER A 13 -10.171 -7.941 -7.714 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.381 -10.021 -7.055 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.468 -8.721 -7.504 1.00 0.00 H new ATOM 0 HG SER A 13 -11.708 -10.990 -9.084 1.00 0.00 H new ATOM 187 N GLY A 14 -8.664 -9.969 -7.821 1.00 0.00 N ATOM 188 CA GLY A 14 -7.540 -10.862 -8.000 1.00 0.00 C ATOM 189 C GLY A 14 -6.995 -11.327 -6.669 1.00 0.00 C ATOM 190 O GLY A 14 -7.525 -10.962 -5.619 1.00 0.00 O ATOM 0 H GLY A 14 -8.815 -9.671 -6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.848 -11.724 -8.591 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.755 -10.355 -8.561 1.00 0.00 H new ATOM 194 N ILE A 15 -5.936 -12.123 -6.696 1.00 0.00 N ATOM 195 CA ILE A 15 -5.341 -12.612 -5.462 1.00 0.00 C ATOM 196 C ILE A 15 -4.013 -11.919 -5.216 1.00 0.00 C ATOM 197 O ILE A 15 -3.180 -11.802 -6.114 1.00 0.00 O ATOM 198 CB ILE A 15 -5.118 -14.140 -5.479 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.238 -14.841 -6.253 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.037 -14.679 -4.054 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.056 -16.340 -6.354 1.00 0.00 C ATOM 0 H ILE A 15 -5.476 -12.441 -7.549 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.043 -12.386 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.174 -14.345 -5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.191 -14.631 -5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.292 -14.421 -7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.880 -15.757 -4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.206 -14.204 -3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.967 -14.461 -3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.886 -16.770 -6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.119 -16.559 -6.866 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.032 -16.772 -5.353 1.00 0.00 H new ATOM 213 N ILE A 16 -3.839 -11.443 -3.994 1.00 0.00 N ATOM 214 CA ILE A 16 -2.635 -10.732 -3.607 1.00 0.00 C ATOM 215 C ILE A 16 -1.752 -11.624 -2.734 1.00 0.00 C ATOM 216 O ILE A 16 -2.209 -12.157 -1.724 1.00 0.00 O ATOM 217 CB ILE A 16 -3.002 -9.444 -2.842 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.751 -8.665 -2.447 1.00 0.00 C ATOM 219 CG2 ILE A 16 -3.846 -9.768 -1.617 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.025 -7.199 -2.194 1.00 0.00 C ATOM 0 H ILE A 16 -4.526 -11.539 -3.246 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.083 -10.464 -4.508 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.592 -8.814 -3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.321 -9.109 -1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.006 -8.759 -3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.094 -8.846 -1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.764 -10.266 -1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.285 -10.425 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.097 -6.698 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.428 -6.743 -3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.748 -7.098 -1.384 1.00 0.00 H new ATOM 232 N ALA A 17 -0.497 -11.818 -3.138 1.00 0.00 N ATOM 233 CA ALA A 17 0.408 -12.686 -2.386 1.00 0.00 C ATOM 234 C ALA A 17 1.822 -12.123 -2.285 1.00 0.00 C ATOM 235 O ALA A 17 2.361 -11.591 -3.254 1.00 0.00 O ATOM 236 CB ALA A 17 0.454 -14.058 -3.035 1.00 0.00 C ATOM 0 H ALA A 17 -0.088 -11.392 -3.970 1.00 0.00 H new ATOM 0 HA ALA A 17 0.016 -12.755 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.129 -14.704 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.546 -14.493 -3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.812 -13.964 -4.060 1.00 0.00 H new ATOM 242 N ILE A 18 2.424 -12.277 -1.106 1.00 0.00 N ATOM 243 CA ILE A 18 3.788 -11.816 -0.865 1.00 0.00 C ATOM 244 C ILE A 18 4.787 -12.939 -1.130 1.00 0.00 C ATOM 245 O ILE A 18 4.513 -14.108 -0.862 1.00 0.00 O ATOM 246 CB ILE A 18 3.973 -11.309 0.582 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.092 -10.087 0.836 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.434 -10.975 0.855 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.053 -10.318 1.905 1.00 0.00 C ATOM 0 H ILE A 18 1.984 -12.720 -0.300 1.00 0.00 H new ATOM 0 HA ILE A 18 3.971 -10.988 -1.550 1.00 0.00 H new ATOM 0 HB ILE A 18 3.671 -12.104 1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.722 -9.246 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.594 -9.807 -0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.541 -10.620 1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.044 -11.868 0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.765 -10.198 0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.460 -9.413 2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.401 -11.139 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.547 -10.569 2.844 1.00 0.00 H new ATOM 261 N ASN A 19 5.944 -12.568 -1.656 1.00 0.00 N ATOM 262 CA ASN A 19 6.998 -13.527 -1.965 1.00 0.00 C ATOM 263 C ASN A 19 8.251 -13.224 -1.164 1.00 0.00 C ATOM 264 O ASN A 19 8.925 -12.222 -1.403 1.00 0.00 O ATOM 265 CB ASN A 19 7.318 -13.499 -3.461 1.00 0.00 C ATOM 266 CG ASN A 19 7.749 -14.854 -3.985 1.00 0.00 C ATOM 267 OD1 ASN A 19 8.798 -14.983 -4.617 1.00 0.00 O ATOM 268 ND2 ASN A 19 6.939 -15.874 -3.726 1.00 0.00 N ATOM 0 H ASN A 19 6.180 -11.601 -1.880 1.00 0.00 H new ATOM 0 HA ASN A 19 6.644 -14.522 -1.695 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.440 -13.162 -4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.109 -12.772 -3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.176 -16.810 -4.055 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.079 -15.721 -3.199 1.00 0.00 H new ATOM 275 N GLU A 20 8.564 -14.111 -0.226 1.00 0.00 N ATOM 276 CA GLU A 20 9.748 -13.959 0.605 1.00 0.00 C ATOM 277 C GLU A 20 10.798 -14.980 0.204 1.00 0.00 C ATOM 278 O GLU A 20 11.628 -15.397 1.012 1.00 0.00 O ATOM 279 CB GLU A 20 9.395 -14.111 2.086 1.00 0.00 C ATOM 280 CG GLU A 20 10.186 -13.188 2.998 1.00 0.00 C ATOM 281 CD GLU A 20 9.870 -13.406 4.464 1.00 0.00 C ATOM 282 OE1 GLU A 20 9.883 -14.574 4.907 1.00 0.00 O ATOM 283 OE2 GLU A 20 9.610 -12.409 5.170 1.00 0.00 O ATOM 0 H GLU A 20 8.011 -14.944 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 20 10.152 -12.958 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.331 -13.915 2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.569 -15.144 2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.252 -13.346 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.972 -12.152 2.734 1.00 0.00 H new ATOM 290 N ASP A 21 10.751 -15.368 -1.061 1.00 0.00 N ATOM 291 CA ASP A 21 11.692 -16.334 -1.609 1.00 0.00 C ATOM 292 C ASP A 21 12.812 -15.618 -2.353 1.00 0.00 C ATOM 293 O ASP A 21 13.913 -16.149 -2.500 1.00 0.00 O ATOM 294 CB ASP A 21 10.974 -17.304 -2.549 1.00 0.00 C ATOM 295 CG ASP A 21 11.524 -18.714 -2.455 1.00 0.00 C ATOM 296 OD1 ASP A 21 12.762 -18.871 -2.482 1.00 0.00 O ATOM 297 OD2 ASP A 21 10.715 -19.660 -2.354 1.00 0.00 O ATOM 0 H ASP A 21 10.065 -15.025 -1.733 1.00 0.00 H new ATOM 0 HA ASP A 21 12.124 -16.901 -0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.910 -17.315 -2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.068 -16.948 -3.575 1.00 0.00 H new ATOM 302 N VAL A 22 12.526 -14.403 -2.814 1.00 0.00 N ATOM 303 CA VAL A 22 13.516 -13.609 -3.536 1.00 0.00 C ATOM 304 C VAL A 22 14.103 -12.532 -2.629 1.00 0.00 C ATOM 305 O VAL A 22 13.553 -12.239 -1.567 1.00 0.00 O ATOM 306 CB VAL A 22 12.925 -12.940 -4.801 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.462 -13.607 -6.058 1.00 0.00 C ATOM 308 CG2 VAL A 22 11.401 -12.972 -4.787 1.00 0.00 C ATOM 0 H VAL A 22 11.620 -13.948 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 22 14.299 -14.298 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 22 13.235 -11.895 -4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.036 -13.124 -6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.548 -13.514 -6.084 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.188 -14.662 -6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.019 -12.494 -5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.059 -14.006 -4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.034 -12.438 -3.910 1.00 0.00 H new ATOM 318 N SER A 23 15.222 -11.941 -3.048 1.00 0.00 N ATOM 319 CA SER A 23 15.870 -10.895 -2.259 1.00 0.00 C ATOM 320 C SER A 23 14.851 -9.846 -1.819 1.00 0.00 C ATOM 321 O SER A 23 14.549 -9.730 -0.631 1.00 0.00 O ATOM 322 CB SER A 23 17.001 -10.240 -3.052 1.00 0.00 C ATOM 323 OG SER A 23 18.258 -10.791 -2.700 1.00 0.00 O ATOM 0 H SER A 23 15.695 -12.167 -3.923 1.00 0.00 H new ATOM 0 HA SER A 23 16.298 -11.357 -1.369 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.827 -10.376 -4.119 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.006 -9.166 -2.865 1.00 0.00 H new ATOM 0 HG SER A 23 18.964 -10.356 -3.223 1.00 0.00 H new ATOM 329 N PRO A 24 14.281 -9.081 -2.769 1.00 0.00 N ATOM 330 CA PRO A 24 13.277 -8.073 -2.454 1.00 0.00 C ATOM 331 C PRO A 24 11.912 -8.708 -2.265 1.00 0.00 C ATOM 332 O PRO A 24 11.133 -8.813 -3.211 1.00 0.00 O ATOM 333 CB PRO A 24 13.271 -7.185 -3.689 1.00 0.00 C ATOM 334 CG PRO A 24 13.623 -8.108 -4.806 1.00 0.00 C ATOM 335 CD PRO A 24 14.543 -9.152 -4.221 1.00 0.00 C ATOM 0 HA PRO A 24 13.496 -7.535 -1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.295 -6.726 -3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.994 -6.374 -3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.729 -8.569 -5.225 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.113 -7.568 -5.616 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.326 -10.144 -4.618 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.587 -8.938 -4.450 1.00 0.00 H new ATOM 343 N ALA A 25 11.629 -9.136 -1.042 1.00 0.00 N ATOM 344 CA ALA A 25 10.351 -9.769 -0.738 1.00 0.00 C ATOM 345 C ALA A 25 9.222 -8.947 -1.321 1.00 0.00 C ATOM 346 O ALA A 25 8.814 -7.942 -0.750 1.00 0.00 O ATOM 347 CB ALA A 25 10.168 -9.944 0.755 1.00 0.00 C ATOM 0 H ALA A 25 12.263 -9.057 -0.247 1.00 0.00 H new ATOM 0 HA ALA A 25 10.340 -10.761 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.206 -10.418 0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.968 -10.570 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.197 -8.969 1.242 1.00 0.00 H new ATOM 353 N GLU A 26 8.756 -9.364 -2.483 1.00 0.00 N ATOM 354 CA GLU A 26 7.707 -8.645 -3.192 1.00 0.00 C ATOM 355 C GLU A 26 6.425 -9.461 -3.304 1.00 0.00 C ATOM 356 O GLU A 26 6.408 -10.644 -2.989 1.00 0.00 O ATOM 357 CB GLU A 26 8.216 -8.236 -4.571 1.00 0.00 C ATOM 358 CG GLU A 26 9.003 -9.324 -5.283 1.00 0.00 C ATOM 359 CD GLU A 26 8.701 -9.385 -6.767 1.00 0.00 C ATOM 360 OE1 GLU A 26 7.535 -9.651 -7.126 1.00 0.00 O ATOM 361 OE2 GLU A 26 9.631 -9.166 -7.572 1.00 0.00 O ATOM 0 H GLU A 26 9.088 -10.202 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 26 7.458 -7.753 -2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.366 -7.950 -5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.847 -7.353 -4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.069 -9.149 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.775 -10.289 -4.829 1.00 0.00 H new ATOM 368 N LEU A 27 5.346 -8.813 -3.746 1.00 0.00 N ATOM 369 CA LEU A 27 4.062 -9.471 -3.881 1.00 0.00 C ATOM 370 C LEU A 27 3.483 -9.235 -5.263 1.00 0.00 C ATOM 371 O LEU A 27 3.794 -8.236 -5.910 1.00 0.00 O ATOM 372 CB LEU A 27 3.090 -8.950 -2.817 1.00 0.00 C ATOM 373 CG LEU A 27 2.738 -7.465 -2.934 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.579 -7.264 -3.898 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.400 -6.889 -1.567 1.00 0.00 C ATOM 0 H LEU A 27 5.345 -7.829 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 27 4.209 -10.542 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.170 -9.531 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.522 -9.129 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 27 3.606 -6.936 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.344 -6.202 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.856 -7.640 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.706 -7.806 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.152 -5.832 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.547 -7.423 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.258 -6.998 -0.904 1.00 0.00 H new ATOM 387 N THR A 28 2.636 -10.149 -5.716 1.00 0.00 N ATOM 388 CA THR A 28 2.024 -10.006 -7.025 1.00 0.00 C ATOM 389 C THR A 28 0.524 -10.239 -6.956 1.00 0.00 C ATOM 390 O THR A 28 0.042 -11.108 -6.230 1.00 0.00 O ATOM 391 CB THR A 28 2.698 -10.940 -8.038 1.00 0.00 C ATOM 392 OG1 THR A 28 3.458 -10.202 -8.970 1.00 0.00 O ATOM 393 CG2 THR A 28 1.743 -11.810 -8.830 1.00 0.00 C ATOM 0 H THR A 28 2.361 -10.986 -5.203 1.00 0.00 H new ATOM 0 HA THR A 28 2.174 -8.982 -7.366 1.00 0.00 H new ATOM 0 HB THR A 28 3.320 -11.593 -7.426 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.856 -9.716 -9.571 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.308 -12.436 -9.520 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.176 -12.443 -8.147 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.057 -11.178 -9.393 1.00 0.00 H new ATOM 401 N TRP A 29 -0.199 -9.431 -7.712 1.00 0.00 N ATOM 402 CA TRP A 29 -1.651 -9.503 -7.749 1.00 0.00 C ATOM 403 C TRP A 29 -2.154 -10.087 -9.066 1.00 0.00 C ATOM 404 O TRP A 29 -2.079 -9.441 -10.106 1.00 0.00 O ATOM 405 CB TRP A 29 -2.224 -8.106 -7.554 1.00 0.00 C ATOM 406 CG TRP A 29 -3.710 -8.081 -7.433 1.00 0.00 C ATOM 407 CD1 TRP A 29 -4.435 -8.266 -6.294 1.00 0.00 C ATOM 408 CD2 TRP A 29 -4.654 -7.849 -8.483 1.00 0.00 C ATOM 409 NE1 TRP A 29 -5.774 -8.154 -6.566 1.00 0.00 N ATOM 410 CE2 TRP A 29 -5.936 -7.900 -7.902 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.545 -7.600 -9.858 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.096 -7.709 -8.642 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.704 -7.414 -10.589 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.962 -7.467 -9.980 1.00 0.00 C ATOM 0 H TRP A 29 0.200 -8.711 -8.314 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.981 -10.163 -6.947 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.788 -7.665 -6.658 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.926 -7.480 -8.395 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.016 -8.471 -5.320 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.527 -8.245 -5.884 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.578 -7.554 -10.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.069 -7.750 -8.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.637 -7.224 -11.650 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.847 -7.313 -10.580 1.00 0.00 H new ATOM 425 N ARG A 30 -2.681 -11.305 -9.012 1.00 0.00 N ATOM 426 CA ARG A 30 -3.204 -11.960 -10.206 1.00 0.00 C ATOM 427 C ARG A 30 -4.728 -12.011 -10.175 1.00 0.00 C ATOM 428 O ARG A 30 -5.319 -12.594 -9.265 1.00 0.00 O ATOM 429 CB ARG A 30 -2.638 -13.377 -10.325 1.00 0.00 C ATOM 430 CG ARG A 30 -1.119 -13.427 -10.312 1.00 0.00 C ATOM 431 CD ARG A 30 -0.604 -14.842 -10.526 1.00 0.00 C ATOM 432 NE ARG A 30 -1.282 -15.514 -11.633 1.00 0.00 N ATOM 433 CZ ARG A 30 -2.406 -16.217 -11.503 1.00 0.00 C ATOM 434 NH1 ARG A 30 -2.990 -16.341 -10.317 1.00 0.00 N ATOM 435 NH2 ARG A 30 -2.950 -16.796 -12.564 1.00 0.00 N ATOM 0 H ARG A 30 -2.757 -11.857 -8.158 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.895 -11.378 -11.074 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.020 -13.982 -9.503 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.000 -13.828 -11.249 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.726 -12.774 -11.092 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.750 -13.045 -9.360 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.468 -14.811 -10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.743 -15.420 -9.612 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.869 -15.440 -12.563 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.578 -15.896 -9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.851 -16.881 -10.226 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.508 -16.703 -13.479 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.811 -17.335 -12.466 1.00 0.00 H new ATOM 449 N SER A 31 -5.363 -11.398 -11.173 1.00 0.00 N ATOM 450 CA SER A 31 -6.823 -11.377 -11.254 1.00 0.00 C ATOM 451 C SER A 31 -7.406 -12.773 -11.044 1.00 0.00 C ATOM 452 O SER A 31 -6.796 -13.774 -11.419 1.00 0.00 O ATOM 453 CB SER A 31 -7.271 -10.825 -12.608 1.00 0.00 C ATOM 454 OG SER A 31 -6.652 -11.522 -13.675 1.00 0.00 O ATOM 0 H SER A 31 -4.891 -10.911 -11.935 1.00 0.00 H new ATOM 0 HA SER A 31 -7.194 -10.727 -10.461 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.354 -10.907 -12.697 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.025 -9.765 -12.671 1.00 0.00 H new ATOM 0 HG SER A 31 -6.087 -10.905 -14.185 1.00 0.00 H new ATOM 460 N THR A 32 -8.590 -12.830 -10.442 1.00 0.00 N ATOM 461 CA THR A 32 -9.253 -14.102 -10.180 1.00 0.00 C ATOM 462 C THR A 32 -9.661 -14.777 -11.482 1.00 0.00 C ATOM 463 O THR A 32 -9.641 -16.003 -11.595 1.00 0.00 O ATOM 464 CB THR A 32 -10.480 -13.892 -9.292 1.00 0.00 C ATOM 465 OG1 THR A 32 -11.014 -12.592 -9.474 1.00 0.00 O ATOM 466 CG2 THR A 32 -10.188 -14.065 -7.817 1.00 0.00 C ATOM 0 H THR A 32 -9.109 -12.011 -10.127 1.00 0.00 H new ATOM 0 HA THR A 32 -8.548 -14.750 -9.660 1.00 0.00 H new ATOM 0 HB THR A 32 -11.192 -14.658 -9.598 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.993 -12.636 -9.462 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.101 -13.902 -7.244 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.820 -15.075 -7.635 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.432 -13.343 -7.509 1.00 0.00 H new ATOM 505 N LYS A 36 -5.822 -10.200 -15.953 1.00 0.00 N ATOM 506 CA LYS A 36 -4.670 -9.341 -15.718 1.00 0.00 C ATOM 507 C LYS A 36 -3.725 -9.936 -14.679 1.00 0.00 C ATOM 508 O LYS A 36 -4.065 -10.891 -13.981 1.00 0.00 O ATOM 509 CB LYS A 36 -5.124 -7.957 -15.268 1.00 0.00 C ATOM 510 CG LYS A 36 -6.107 -7.977 -14.113 1.00 0.00 C ATOM 511 CD LYS A 36 -6.635 -6.583 -13.812 1.00 0.00 C ATOM 512 CE LYS A 36 -5.507 -5.604 -13.518 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.731 -4.859 -12.248 1.00 0.00 N ATOM 0 HA LYS A 36 -4.128 -9.258 -16.660 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.249 -7.375 -14.977 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.582 -7.443 -16.113 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.939 -8.639 -14.352 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.621 -8.383 -13.226 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.217 -6.223 -14.661 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.311 -6.627 -12.958 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.563 -6.146 -13.459 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.417 -4.896 -14.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.957 -4.179 -12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.635 -4.348 -12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.757 -5.529 -11.453 1.00 0.00 H new ATOM 527 N VAL A 37 -2.537 -9.350 -14.585 1.00 0.00 N ATOM 528 CA VAL A 37 -1.523 -9.791 -13.637 1.00 0.00 C ATOM 529 C VAL A 37 -0.716 -8.601 -13.136 1.00 0.00 C ATOM 530 O VAL A 37 -0.210 -7.806 -13.928 1.00 0.00 O ATOM 531 CB VAL A 37 -0.562 -10.826 -14.257 1.00 0.00 C ATOM 532 CG1 VAL A 37 0.118 -11.642 -13.168 1.00 0.00 C ATOM 533 CG2 VAL A 37 -1.299 -11.736 -15.230 1.00 0.00 C ATOM 0 H VAL A 37 -2.251 -8.559 -15.162 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.047 -10.265 -12.807 1.00 0.00 H new ATOM 0 HB VAL A 37 0.205 -10.288 -14.813 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.792 -12.367 -13.624 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.686 -10.978 -12.517 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.636 -12.167 -12.582 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.600 -12.457 -15.654 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.092 -12.266 -14.703 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.733 -11.137 -16.031 1.00 0.00 H new ATOM 543 N HIS A 38 -0.602 -8.478 -11.823 1.00 0.00 N ATOM 544 CA HIS A 38 0.139 -7.379 -11.223 1.00 0.00 C ATOM 545 C HIS A 38 1.239 -7.896 -10.305 1.00 0.00 C ATOM 546 O HIS A 38 1.130 -8.976 -9.730 1.00 0.00 O ATOM 547 CB HIS A 38 -0.807 -6.462 -10.444 1.00 0.00 C ATOM 548 CG HIS A 38 -1.104 -5.174 -11.148 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.469 -4.021 -10.485 1.00 0.00 N ATOM 550 CD2 HIS A 38 -1.089 -4.860 -12.465 1.00 0.00 C ATOM 551 CE1 HIS A 38 -1.665 -3.054 -11.364 1.00 0.00 C ATOM 552 NE2 HIS A 38 -1.441 -3.537 -12.571 1.00 0.00 N ATOM 0 H HIS A 38 -1.013 -9.126 -11.152 1.00 0.00 H new ATOM 0 HA HIS A 38 0.605 -6.809 -12.027 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.742 -6.990 -10.260 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.368 -6.242 -9.471 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.846 -5.526 -13.280 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.959 -2.041 -11.133 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.517 -3.012 -13.442 1.00 0.00 H new ATOM 561 N THR A 39 2.296 -7.111 -10.179 1.00 0.00 N ATOM 562 CA THR A 39 3.429 -7.464 -9.334 1.00 0.00 C ATOM 563 C THR A 39 3.957 -6.217 -8.633 1.00 0.00 C ATOM 564 O THR A 39 4.590 -5.367 -9.260 1.00 0.00 O ATOM 565 CB THR A 39 4.538 -8.075 -10.190 1.00 0.00 C ATOM 566 OG1 THR A 39 4.027 -9.097 -11.029 1.00 0.00 O ATOM 567 CG2 THR A 39 5.670 -8.666 -9.377 1.00 0.00 C ATOM 0 H THR A 39 2.395 -6.215 -10.656 1.00 0.00 H new ATOM 0 HA THR A 39 3.106 -8.189 -8.587 1.00 0.00 H new ATOM 0 HB THR A 39 4.932 -7.246 -10.778 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.150 -9.968 -10.596 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.421 -9.082 -10.048 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.123 -7.887 -8.763 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.282 -9.455 -8.733 1.00 0.00 H new ATOM 575 N VAL A 40 3.703 -6.112 -7.337 1.00 0.00 N ATOM 576 CA VAL A 40 4.166 -4.967 -6.566 1.00 0.00 C ATOM 577 C VAL A 40 5.376 -5.350 -5.732 1.00 0.00 C ATOM 578 O VAL A 40 5.264 -6.133 -4.788 1.00 0.00 O ATOM 579 CB VAL A 40 3.065 -4.422 -5.639 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.502 -3.108 -5.012 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.760 -4.251 -6.402 1.00 0.00 C ATOM 0 H VAL A 40 3.181 -6.803 -6.798 1.00 0.00 H new ATOM 0 HA VAL A 40 4.436 -4.185 -7.276 1.00 0.00 H new ATOM 0 HB VAL A 40 2.897 -5.143 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.712 -2.736 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.409 -3.267 -4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.698 -2.378 -5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.994 -3.865 -5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.908 -3.551 -7.224 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.442 -5.215 -6.799 1.00 0.00 H new ATOM 591 N VAL A 41 6.537 -4.814 -6.088 1.00 0.00 N ATOM 592 CA VAL A 41 7.754 -5.135 -5.362 1.00 0.00 C ATOM 593 C VAL A 41 7.889 -4.316 -4.092 1.00 0.00 C ATOM 594 O VAL A 41 8.185 -3.123 -4.131 1.00 0.00 O ATOM 595 CB VAL A 41 9.022 -4.954 -6.217 1.00 0.00 C ATOM 596 CG1 VAL A 41 10.225 -5.598 -5.530 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.819 -5.538 -7.607 1.00 0.00 C ATOM 0 H VAL A 41 6.659 -4.164 -6.865 1.00 0.00 H new ATOM 0 HA VAL A 41 7.664 -6.189 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 41 9.218 -3.887 -6.322 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.113 -5.461 -6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.383 -5.130 -4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.039 -6.663 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.726 -5.400 -8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.597 -6.602 -7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.988 -5.031 -8.097 1.00 0.00 H new ATOM 607 N LEU A 42 7.695 -4.985 -2.960 1.00 0.00 N ATOM 608 CA LEU A 42 7.816 -4.349 -1.656 1.00 0.00 C ATOM 609 C LEU A 42 9.111 -3.549 -1.576 1.00 0.00 C ATOM 610 O LEU A 42 9.213 -2.579 -0.825 1.00 0.00 O ATOM 611 CB LEU A 42 7.809 -5.409 -0.559 1.00 0.00 C ATOM 612 CG LEU A 42 6.424 -5.868 -0.091 1.00 0.00 C ATOM 613 CD1 LEU A 42 5.829 -6.880 -1.061 1.00 0.00 C ATOM 614 CD2 LEU A 42 6.508 -6.459 1.308 1.00 0.00 C ATOM 0 H LEU A 42 7.452 -5.975 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 42 6.970 -3.675 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.359 -6.280 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.353 -5.019 0.301 1.00 0.00 H new ATOM 0 HG LEU A 42 5.768 -4.998 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.846 -7.190 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.732 -6.425 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.482 -7.750 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.517 -6.781 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.183 -7.315 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.885 -5.705 1.999 1.00 0.00 H new ATOM 626 N SER A 43 10.098 -3.966 -2.365 1.00 0.00 N ATOM 627 CA SER A 43 11.389 -3.289 -2.395 1.00 0.00 C ATOM 628 C SER A 43 11.203 -1.849 -2.828 1.00 0.00 C ATOM 629 O SER A 43 11.614 -0.915 -2.141 1.00 0.00 O ATOM 630 CB SER A 43 12.353 -4.007 -3.341 1.00 0.00 C ATOM 631 OG SER A 43 13.520 -4.429 -2.656 1.00 0.00 O ATOM 0 H SER A 43 10.027 -4.768 -2.991 1.00 0.00 H new ATOM 0 HA SER A 43 11.818 -3.308 -1.393 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.856 -4.870 -3.785 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.628 -3.341 -4.159 1.00 0.00 H new ATOM 0 HG SER A 43 14.296 -4.345 -3.249 1.00 0.00 H new ATOM 637 N THR A 44 10.553 -1.688 -3.964 1.00 0.00 N ATOM 638 CA THR A 44 10.268 -0.375 -4.502 1.00 0.00 C ATOM 639 C THR A 44 9.182 0.302 -3.674 1.00 0.00 C ATOM 640 O THR A 44 9.014 1.520 -3.730 1.00 0.00 O ATOM 641 CB THR A 44 9.825 -0.494 -5.957 1.00 0.00 C ATOM 642 OG1 THR A 44 9.114 -1.700 -6.167 1.00 0.00 O ATOM 643 CG2 THR A 44 10.977 -0.463 -6.937 1.00 0.00 C ATOM 0 H THR A 44 10.210 -2.460 -4.536 1.00 0.00 H new ATOM 0 HA THR A 44 11.172 0.232 -4.458 1.00 0.00 H new ATOM 0 HB THR A 44 9.192 0.374 -6.139 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.540 -1.880 -5.393 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.593 -0.552 -7.953 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.517 0.478 -6.834 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.653 -1.293 -6.731 1.00 0.00 H new ATOM 651 N ILE A 45 8.446 -0.498 -2.898 1.00 0.00 N ATOM 652 CA ILE A 45 7.381 0.035 -2.055 1.00 0.00 C ATOM 653 C ILE A 45 7.889 0.316 -0.645 1.00 0.00 C ATOM 654 O ILE A 45 8.092 -0.602 0.149 1.00 0.00 O ATOM 655 CB ILE A 45 6.181 -0.929 -1.976 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.705 -1.301 -3.381 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.045 -0.307 -1.176 1.00 0.00 C ATOM 658 CD1 ILE A 45 5.131 -0.135 -4.155 1.00 0.00 C ATOM 0 H ILE A 45 8.569 -1.509 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 45 7.052 0.967 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 45 6.501 -1.837 -1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.542 -1.720 -3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.949 -2.083 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.207 -1.003 -1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.389 -0.089 -0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.724 0.617 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.814 -0.474 -5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.274 0.271 -3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.891 0.639 -4.264 1.00 0.00 H new ATOM 670 N ASP A 46 8.094 1.593 -0.341 1.00 0.00 N ATOM 671 CA ASP A 46 8.580 2.000 0.972 1.00 0.00 C ATOM 672 C ASP A 46 7.428 2.366 1.907 1.00 0.00 C ATOM 673 O ASP A 46 7.651 2.765 3.050 1.00 0.00 O ATOM 674 CB ASP A 46 9.528 3.190 0.834 1.00 0.00 C ATOM 675 CG ASP A 46 10.674 3.136 1.825 1.00 0.00 C ATOM 676 OD1 ASP A 46 11.047 2.020 2.242 1.00 0.00 O ATOM 677 OD2 ASP A 46 11.200 4.211 2.183 1.00 0.00 O ATOM 0 H ASP A 46 7.931 2.365 -0.987 1.00 0.00 H new ATOM 0 HA ASP A 46 9.114 1.154 1.406 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.929 3.216 -0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.969 4.115 0.979 1.00 0.00 H new ATOM 682 N LYS A 47 6.197 2.236 1.418 1.00 0.00 N ATOM 683 CA LYS A 47 5.023 2.563 2.219 1.00 0.00 C ATOM 684 C LYS A 47 3.965 1.466 2.128 1.00 0.00 C ATOM 685 O LYS A 47 3.777 0.847 1.081 1.00 0.00 O ATOM 686 CB LYS A 47 4.430 3.898 1.770 1.00 0.00 C ATOM 687 CG LYS A 47 4.657 5.028 2.761 1.00 0.00 C ATOM 688 CD LYS A 47 5.924 5.805 2.439 1.00 0.00 C ATOM 689 CE LYS A 47 6.201 6.876 3.482 1.00 0.00 C ATOM 690 NZ LYS A 47 6.956 6.336 4.646 1.00 0.00 N ATOM 0 H LYS A 47 5.988 1.908 0.475 1.00 0.00 H new ATOM 0 HA LYS A 47 5.341 2.643 3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.865 4.175 0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.359 3.775 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.801 5.703 2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.725 4.621 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.769 5.119 2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.828 6.268 1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.768 7.688 3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.258 7.300 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.482 7.106 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.291 5.916 5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.623 5.608 4.320 1.00 0.00 H new ATOM 704 N LEU A 48 3.274 1.244 3.239 1.00 0.00 N ATOM 705 CA LEU A 48 2.220 0.238 3.320 1.00 0.00 C ATOM 706 C LEU A 48 1.237 0.623 4.419 1.00 0.00 C ATOM 707 O LEU A 48 1.646 0.977 5.525 1.00 0.00 O ATOM 708 CB LEU A 48 2.828 -1.148 3.584 1.00 0.00 C ATOM 709 CG LEU A 48 1.912 -2.171 4.269 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.848 -1.910 5.766 1.00 0.00 C ATOM 711 CD2 LEU A 48 0.517 -2.148 3.655 1.00 0.00 C ATOM 0 H LEU A 48 3.427 1.755 4.109 1.00 0.00 H new ATOM 0 HA LEU A 48 1.684 0.193 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.156 -1.565 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.719 -1.020 4.199 1.00 0.00 H new ATOM 0 HG LEU A 48 2.332 -3.165 4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.194 -2.645 6.236 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.848 -1.989 6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.456 -0.909 5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.114 -2.882 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.084 -1.155 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.582 -2.391 2.594 1.00 0.00 H new ATOM 723 N GLN A 49 -0.055 0.582 4.113 1.00 0.00 N ATOM 724 CA GLN A 49 -1.065 0.963 5.093 1.00 0.00 C ATOM 725 C GLN A 49 -2.320 0.093 5.013 1.00 0.00 C ATOM 726 O GLN A 49 -2.750 -0.307 3.931 1.00 0.00 O ATOM 727 CB GLN A 49 -1.459 2.427 4.888 1.00 0.00 C ATOM 728 CG GLN A 49 -0.300 3.344 4.526 1.00 0.00 C ATOM 729 CD GLN A 49 -0.226 3.633 3.040 1.00 0.00 C ATOM 730 OE1 GLN A 49 0.237 2.804 2.256 1.00 0.00 O ATOM 731 NE2 GLN A 49 -0.683 4.815 2.644 1.00 0.00 N ATOM 0 H GLN A 49 -0.424 0.293 3.207 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.622 0.818 6.078 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.210 2.482 4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.927 2.796 5.801 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.401 4.283 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.635 2.887 4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.058 5.472 3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.659 5.066 1.656 1.00 0.00 H new ATOM 740 N ALA A 50 -2.922 -0.157 6.176 1.00 0.00 N ATOM 741 CA ALA A 50 -4.156 -0.935 6.270 1.00 0.00 C ATOM 742 C ALA A 50 -5.180 -0.160 7.083 1.00 0.00 C ATOM 743 O ALA A 50 -4.824 0.512 8.043 1.00 0.00 O ATOM 744 CB ALA A 50 -3.911 -2.292 6.903 1.00 0.00 C ATOM 0 H ALA A 50 -2.570 0.172 7.075 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.533 -1.103 5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.850 -2.843 6.957 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.196 -2.851 6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.511 -2.158 7.908 1.00 0.00 H new ATOM 750 N THR A 51 -6.442 -0.234 6.685 1.00 0.00 N ATOM 751 CA THR A 51 -7.503 0.498 7.376 1.00 0.00 C ATOM 752 C THR A 51 -7.944 -0.185 8.678 1.00 0.00 C ATOM 753 O THR A 51 -8.711 -1.147 8.653 1.00 0.00 O ATOM 754 CB THR A 51 -8.694 0.653 6.436 1.00 0.00 C ATOM 755 OG1 THR A 51 -8.834 -0.491 5.613 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.581 1.860 5.530 1.00 0.00 C ATOM 0 H THR A 51 -6.759 -0.790 5.891 1.00 0.00 H new ATOM 0 HA THR A 51 -7.106 1.474 7.654 1.00 0.00 H new ATOM 0 HB THR A 51 -9.562 0.781 7.082 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.489 -1.102 6.011 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.459 1.915 4.886 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.518 2.764 6.135 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.685 1.771 4.916 1.00 0.00 H new ATOM 764 N PRO A 52 -7.444 0.298 9.838 1.00 0.00 N ATOM 765 CA PRO A 52 -7.740 -0.240 11.154 1.00 0.00 C ATOM 766 C PRO A 52 -8.574 0.715 12.012 1.00 0.00 C ATOM 767 O PRO A 52 -8.664 1.901 11.709 1.00 0.00 O ATOM 768 CB PRO A 52 -6.329 -0.319 11.721 1.00 0.00 C ATOM 769 CG PRO A 52 -5.629 0.886 11.143 1.00 0.00 C ATOM 770 CD PRO A 52 -6.493 1.396 9.999 1.00 0.00 C ATOM 0 HA PRO A 52 -8.315 -1.166 11.128 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.336 -0.291 12.811 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.834 -1.245 11.429 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.499 1.658 11.902 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.634 0.620 10.786 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.989 2.335 10.247 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.912 1.571 9.093 1.00 0.00 H new ATOM 778 N ALA A 53 -9.141 0.184 13.101 1.00 0.00 N ATOM 779 CA ALA A 53 -9.944 0.961 14.064 1.00 0.00 C ATOM 780 C ALA A 53 -10.649 2.172 13.457 1.00 0.00 C ATOM 781 O ALA A 53 -11.869 2.179 13.291 1.00 0.00 O ATOM 782 CB ALA A 53 -9.064 1.406 15.223 1.00 0.00 C ATOM 0 H ALA A 53 -9.058 -0.803 13.344 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.734 0.294 14.409 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.660 1.980 15.933 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.649 0.530 15.722 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.252 2.027 14.846 1.00 0.00 H new ATOM 788 N SER A 54 -9.871 3.197 13.148 1.00 0.00 N ATOM 789 CA SER A 54 -10.405 4.433 12.577 1.00 0.00 C ATOM 790 C SER A 54 -11.100 4.158 11.266 1.00 0.00 C ATOM 791 O SER A 54 -12.062 4.832 10.897 1.00 0.00 O ATOM 792 CB SER A 54 -9.259 5.397 12.320 1.00 0.00 C ATOM 793 OG SER A 54 -8.519 5.645 13.502 1.00 0.00 O ATOM 0 H SER A 54 -8.860 3.201 13.283 1.00 0.00 H new ATOM 0 HA SER A 54 -11.120 4.860 13.280 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.600 4.986 11.555 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.652 6.336 11.931 1.00 0.00 H new ATOM 0 HG SER A 54 -7.788 6.267 13.306 1.00 0.00 H new ATOM 799 N SER A 55 -10.614 3.153 10.578 1.00 0.00 N ATOM 800 CA SER A 55 -11.186 2.757 9.310 1.00 0.00 C ATOM 801 C SER A 55 -11.744 1.346 9.389 1.00 0.00 C ATOM 802 O SER A 55 -11.018 0.371 9.192 1.00 0.00 O ATOM 803 CB SER A 55 -10.138 2.835 8.205 1.00 0.00 C ATOM 804 OG SER A 55 -10.718 2.581 6.937 1.00 0.00 O ATOM 0 H SER A 55 -9.818 2.590 10.876 1.00 0.00 H new ATOM 0 HA SER A 55 -12.000 3.444 9.078 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.676 3.822 8.206 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.346 2.112 8.398 1.00 0.00 H new ATOM 0 HG SER A 55 -11.695 2.613 7.012 1.00 0.00 H new ATOM 810 N GLU A 56 -13.042 1.238 9.650 1.00 0.00 N ATOM 811 CA GLU A 56 -13.690 -0.064 9.719 1.00 0.00 C ATOM 812 C GLU A 56 -13.537 -0.782 8.382 1.00 0.00 C ATOM 813 O GLU A 56 -13.705 -1.998 8.287 1.00 0.00 O ATOM 814 CB GLU A 56 -15.172 0.091 10.067 1.00 0.00 C ATOM 815 CG GLU A 56 -15.909 -1.232 10.195 1.00 0.00 C ATOM 816 CD GLU A 56 -17.410 -1.055 10.305 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.909 -0.907 11.441 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.087 -1.064 9.256 1.00 0.00 O ATOM 0 H GLU A 56 -13.662 2.031 9.816 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.214 -0.654 10.502 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.261 0.639 11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.656 0.694 9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.683 -1.855 9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.544 -1.763 11.074 1.00 0.00 H new ATOM 825 N LYS A 57 -13.206 -0.006 7.351 1.00 0.00 N ATOM 826 CA LYS A 57 -13.014 -0.530 6.011 1.00 0.00 C ATOM 827 C LYS A 57 -11.992 -1.661 6.001 1.00 0.00 C ATOM 828 O LYS A 57 -11.524 -2.104 7.050 1.00 0.00 O ATOM 829 CB LYS A 57 -12.552 0.595 5.081 1.00 0.00 C ATOM 830 CG LYS A 57 -13.692 1.290 4.365 1.00 0.00 C ATOM 831 CD LYS A 57 -14.203 2.482 5.158 1.00 0.00 C ATOM 832 CE LYS A 57 -13.329 3.708 4.946 1.00 0.00 C ATOM 833 NZ LYS A 57 -13.770 4.857 5.784 1.00 0.00 N ATOM 0 H LYS A 57 -13.065 1.001 7.427 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.965 -0.931 5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.995 1.331 5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.864 0.185 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.357 1.622 3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.506 0.583 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.227 2.707 4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.229 2.231 6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.294 3.461 5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.355 3.995 3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.381 5.740 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.809 4.907 5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.429 4.728 6.758 1.00 0.00 H new ATOM 847 N MET A 58 -11.655 -2.119 4.804 1.00 0.00 N ATOM 848 CA MET A 58 -10.691 -3.196 4.631 1.00 0.00 C ATOM 849 C MET A 58 -9.904 -2.988 3.345 1.00 0.00 C ATOM 850 O MET A 58 -10.095 -3.705 2.363 1.00 0.00 O ATOM 851 CB MET A 58 -11.414 -4.540 4.594 1.00 0.00 C ATOM 852 CG MET A 58 -12.635 -4.541 3.694 1.00 0.00 C ATOM 853 SD MET A 58 -14.158 -4.210 4.597 1.00 0.00 S ATOM 854 CE MET A 58 -15.340 -5.057 3.557 1.00 0.00 C ATOM 0 H MET A 58 -12.039 -1.758 3.931 1.00 0.00 H new ATOM 0 HA MET A 58 -9.998 -3.192 5.472 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.720 -5.309 4.254 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.717 -4.809 5.606 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.508 -3.790 2.914 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.714 -5.507 3.196 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.348 -4.874 3.929 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.257 -4.686 2.535 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.136 -6.128 3.572 1.00 0.00 H new ATOM 864 N MET A 59 -9.035 -1.984 3.350 1.00 0.00 N ATOM 865 CA MET A 59 -8.239 -1.663 2.176 1.00 0.00 C ATOM 866 C MET A 59 -6.758 -1.519 2.518 1.00 0.00 C ATOM 867 O MET A 59 -6.399 -0.987 3.568 1.00 0.00 O ATOM 868 CB MET A 59 -8.755 -0.365 1.553 1.00 0.00 C ATOM 869 CG MET A 59 -8.753 0.804 2.524 1.00 0.00 C ATOM 870 SD MET A 59 -10.361 1.611 2.669 1.00 0.00 S ATOM 871 CE MET A 59 -9.872 3.312 2.979 1.00 0.00 C ATOM 0 H MET A 59 -8.865 -1.380 4.154 1.00 0.00 H new ATOM 0 HA MET A 59 -8.336 -2.485 1.466 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.139 -0.113 0.690 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.769 -0.523 1.186 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.441 0.451 3.507 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.014 1.537 2.199 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.520 3.744 3.742 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.838 3.336 3.324 1.00 0.00 H new ATOM 0 HE3 MET A 59 -9.961 3.890 2.059 1.00 0.00 H new ATOM 881 N LEU A 60 -5.905 -1.980 1.608 1.00 0.00 N ATOM 882 CA LEU A 60 -4.461 -1.890 1.788 1.00 0.00 C ATOM 883 C LEU A 60 -3.870 -0.945 0.745 1.00 0.00 C ATOM 884 O LEU A 60 -4.203 -1.031 -0.437 1.00 0.00 O ATOM 885 CB LEU A 60 -3.808 -3.275 1.671 1.00 0.00 C ATOM 886 CG LEU A 60 -4.046 -4.227 2.851 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.079 -5.403 2.793 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.904 -3.493 4.177 1.00 0.00 C ATOM 0 H LEU A 60 -6.192 -2.422 0.734 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.260 -1.501 2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.175 -3.753 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.733 -3.140 1.548 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.064 -4.608 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.263 -6.067 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.227 -5.950 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.054 -5.034 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.077 -4.188 4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.899 -3.079 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.634 -2.685 4.226 1.00 0.00 H new ATOM 900 N ARG A 61 -3.005 -0.037 1.185 1.00 0.00 N ATOM 901 CA ARG A 61 -2.390 0.926 0.277 1.00 0.00 C ATOM 902 C ARG A 61 -0.874 0.770 0.246 1.00 0.00 C ATOM 903 O ARG A 61 -0.237 0.569 1.280 1.00 0.00 O ATOM 904 CB ARG A 61 -2.755 2.352 0.692 1.00 0.00 C ATOM 905 CG ARG A 61 -2.200 3.417 -0.240 1.00 0.00 C ATOM 906 CD ARG A 61 -3.230 4.496 -0.535 1.00 0.00 C ATOM 907 NE ARG A 61 -3.091 5.031 -1.887 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.616 6.188 -2.285 1.00 0.00 C ATOM 909 NH1 ARG A 61 -4.313 6.934 -1.437 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.443 6.600 -3.533 1.00 0.00 N ATOM 0 H ARG A 61 -2.715 0.053 2.159 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.774 0.731 -0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.840 2.444 0.730 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.384 2.534 1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.317 3.870 0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.880 2.954 -1.173 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.232 4.085 -0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.124 5.305 0.188 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.560 4.486 -2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.448 6.622 -0.475 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.713 7.820 -1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.908 6.031 -4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.845 7.486 -3.838 1.00 0.00 H new ATOM 924 N LEU A 62 -0.305 0.870 -0.951 1.00 0.00 N ATOM 925 CA LEU A 62 1.136 0.746 -1.130 1.00 0.00 C ATOM 926 C LEU A 62 1.666 1.881 -1.999 1.00 0.00 C ATOM 927 O LEU A 62 1.004 2.313 -2.943 1.00 0.00 O ATOM 928 CB LEU A 62 1.482 -0.604 -1.766 1.00 0.00 C ATOM 929 CG LEU A 62 0.704 -1.806 -1.221 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.724 -1.817 0.302 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.728 -1.796 -1.740 1.00 0.00 C ATOM 0 H LEU A 62 -0.823 1.037 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 62 1.608 0.805 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.307 -0.536 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.547 -0.789 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 62 1.190 -2.716 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.166 -2.679 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.755 -1.878 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.266 -0.902 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.265 -2.657 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.224 -0.880 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.721 -1.844 -2.829 1.00 0.00 H new ATOM 943 N ILE A 63 2.861 2.364 -1.676 1.00 0.00 N ATOM 944 CA ILE A 63 3.472 3.451 -2.431 1.00 0.00 C ATOM 945 C ILE A 63 4.914 3.114 -2.804 1.00 0.00 C ATOM 946 O ILE A 63 5.708 2.711 -1.954 1.00 0.00 O ATOM 947 CB ILE A 63 3.428 4.773 -1.634 1.00 0.00 C ATOM 948 CG1 ILE A 63 2.021 5.363 -1.682 1.00 0.00 C ATOM 949 CG2 ILE A 63 4.438 5.781 -2.160 1.00 0.00 C ATOM 950 CD1 ILE A 63 1.335 5.353 -0.344 1.00 0.00 C ATOM 0 H ILE A 63 3.424 2.021 -0.898 1.00 0.00 H new ATOM 0 HA ILE A 63 2.896 3.579 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 63 3.693 4.549 -0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.075 6.388 -2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.421 4.800 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.376 6.698 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.442 5.366 -2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.220 6.003 -3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.339 5.785 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.252 4.327 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.916 5.940 0.367 1.00 0.00 H new ATOM 962 N GLY A 64 5.244 3.284 -4.080 1.00 0.00 N ATOM 963 CA GLY A 64 6.588 2.994 -4.543 1.00 0.00 C ATOM 964 C GLY A 64 7.603 4.007 -4.050 1.00 0.00 C ATOM 965 O GLY A 64 7.300 4.826 -3.183 1.00 0.00 O ATOM 0 H GLY A 64 4.605 3.617 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.879 1.999 -4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.597 2.976 -5.633 1.00 0.00 H new ATOM 1311 N ARG A 86 1.421 6.176 -6.292 1.00 0.00 N ATOM 1312 CA ARG A 86 0.701 5.497 -5.220 1.00 0.00 C ATOM 1313 C ARG A 86 -0.496 4.724 -5.765 1.00 0.00 C ATOM 1314 O ARG A 86 -1.034 5.056 -6.821 1.00 0.00 O ATOM 1315 CB ARG A 86 0.228 6.508 -4.172 1.00 0.00 C ATOM 1316 CG ARG A 86 1.195 7.661 -3.950 1.00 0.00 C ATOM 1317 CD ARG A 86 0.832 8.462 -2.710 1.00 0.00 C ATOM 1318 NE ARG A 86 2.008 9.050 -2.075 1.00 0.00 N ATOM 1319 CZ ARG A 86 1.967 9.755 -0.946 1.00 0.00 C ATOM 1320 NH1 ARG A 86 0.812 9.961 -0.326 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.084 10.255 -0.436 1.00 0.00 N ATOM 0 HA ARG A 86 1.387 4.789 -4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.738 6.910 -4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.072 5.990 -3.226 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.209 7.273 -3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.189 8.315 -4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.133 9.253 -2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.321 7.815 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 86 2.914 8.913 -2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.050 9.579 -0.714 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.787 10.502 0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.975 10.100 -0.908 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.053 10.795 0.429 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.910 3.695 -5.033 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.049 2.876 -5.434 1.00 0.00 C ATOM 1337 C HIS A 87 -2.855 2.450 -4.212 1.00 0.00 C ATOM 1338 O HIS A 87 -2.292 2.056 -3.191 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.585 1.640 -6.216 1.00 0.00 C ATOM 1340 CG HIS A 87 -0.184 1.211 -5.904 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.894 1.517 -6.709 1.00 0.00 N ATOM 1342 CD2 HIS A 87 0.315 0.496 -4.869 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.993 1.007 -6.183 1.00 0.00 C ATOM 1344 NE2 HIS A 87 1.669 0.384 -5.066 1.00 0.00 N ATOM 0 H HIS A 87 -0.473 3.408 -4.157 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.685 3.477 -6.084 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.263 0.813 -6.004 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.661 1.849 -7.283 1.00 0.00 H new ATOM 0 HD1 HIS A 87 0.849 2.053 -7.575 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -0.247 0.089 -4.042 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.987 1.086 -6.597 1.00 0.00 H new ATOM 1353 N MET A 88 -4.177 2.539 -4.320 1.00 0.00 N ATOM 1354 CA MET A 88 -5.058 2.168 -3.218 1.00 0.00 C ATOM 1355 C MET A 88 -5.745 0.835 -3.495 1.00 0.00 C ATOM 1356 O MET A 88 -6.591 0.731 -4.384 1.00 0.00 O ATOM 1357 CB MET A 88 -6.098 3.274 -2.979 1.00 0.00 C ATOM 1358 CG MET A 88 -7.376 2.804 -2.290 1.00 0.00 C ATOM 1359 SD MET A 88 -7.063 1.953 -0.730 1.00 0.00 S ATOM 1360 CE MET A 88 -7.999 2.970 0.414 1.00 0.00 C ATOM 0 H MET A 88 -4.661 2.864 -5.157 1.00 0.00 H new ATOM 0 HA MET A 88 -4.455 2.053 -2.317 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.643 4.059 -2.375 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.361 3.721 -3.938 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.020 3.664 -2.106 1.00 0.00 H new ATOM 0 HG3 MET A 88 -7.919 2.136 -2.959 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.452 3.059 1.353 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.145 3.961 -0.016 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.969 2.509 0.601 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.380 -0.178 -2.719 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.964 -1.503 -2.867 1.00 0.00 C ATOM 1372 C PHE A 89 -7.142 -1.659 -1.915 1.00 0.00 C ATOM 1373 O PHE A 89 -7.058 -1.273 -0.750 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.911 -2.580 -2.599 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.721 -3.513 -3.755 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.816 -4.079 -4.385 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.451 -3.816 -4.221 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.651 -4.931 -5.457 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.281 -4.667 -5.296 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.383 -5.224 -5.913 1.00 0.00 C ATOM 0 H PHE A 89 -4.681 -0.106 -1.980 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.322 -1.621 -3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.960 -2.101 -2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.202 -3.154 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.811 -3.851 -4.033 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.587 -3.383 -3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.513 -5.368 -5.938 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.288 -4.896 -5.653 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.252 -5.890 -6.753 1.00 0.00 H new ATOM 1390 N SER A 90 -8.249 -2.203 -2.413 1.00 0.00 N ATOM 1391 CA SER A 90 -9.437 -2.368 -1.587 1.00 0.00 C ATOM 1392 C SER A 90 -10.116 -3.710 -1.820 1.00 0.00 C ATOM 1393 O SER A 90 -10.449 -4.064 -2.951 1.00 0.00 O ATOM 1394 CB SER A 90 -10.430 -1.245 -1.879 1.00 0.00 C ATOM 1395 OG SER A 90 -11.258 -0.989 -0.758 1.00 0.00 O ATOM 0 H SER A 90 -8.347 -2.533 -3.373 1.00 0.00 H new ATOM 0 HA SER A 90 -9.117 -2.330 -0.546 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.889 -0.338 -2.149 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.047 -1.515 -2.736 1.00 0.00 H new ATOM 0 HG SER A 90 -11.883 -0.265 -0.971 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.343 -4.439 -0.734 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.012 -5.730 -0.805 1.00 0.00 C ATOM 1403 C PHE A 91 -12.172 -5.766 0.181 1.00 0.00 C ATOM 1404 O PHE A 91 -12.325 -4.864 1.004 1.00 0.00 O ATOM 1405 CB PHE A 91 -10.052 -6.902 -0.541 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.670 -6.523 -0.080 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.877 -5.659 -0.819 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.156 -7.059 1.088 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.602 -5.335 -0.398 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -6.882 -6.742 1.511 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.104 -5.878 0.768 1.00 0.00 C ATOM 0 H PHE A 91 -10.072 -4.156 0.208 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.389 -5.848 -1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.500 -7.552 0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.962 -7.487 -1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.261 -5.234 -1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.760 -7.734 1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.996 -4.657 -0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.494 -7.170 2.423 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.107 -5.627 1.099 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.993 -6.804 0.091 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.143 -6.943 0.974 1.00 0.00 C ATOM 1423 C ASN A 92 -13.802 -7.803 2.185 1.00 0.00 C ATOM 1424 O ASN A 92 -14.673 -8.466 2.749 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.322 -7.555 0.216 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.202 -6.503 -0.431 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.958 -5.807 0.247 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.107 -6.381 -1.750 1.00 0.00 N ATOM 0 H ASN A 92 -12.884 -7.561 -0.584 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.420 -5.949 1.325 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.945 -8.232 -0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.921 -8.153 0.903 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.674 -5.689 -2.240 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.467 -6.979 -2.273 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.533 -7.795 2.580 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.096 -8.584 3.726 1.00 0.00 C ATOM 1437 C ASN A 93 -11.237 -7.768 4.686 1.00 0.00 C ATOM 1438 O ASN A 93 -10.113 -7.387 4.362 1.00 0.00 O ATOM 1439 CB ASN A 93 -11.328 -9.822 3.255 1.00 0.00 C ATOM 1440 CG ASN A 93 -12.105 -11.105 3.480 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.358 -11.499 4.618 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -12.488 -11.763 2.392 1.00 0.00 N ATOM 0 H ASN A 93 -11.795 -7.256 2.128 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.989 -8.896 4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -11.097 -9.721 2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.377 -9.879 3.784 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.014 -12.632 2.481 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.256 -11.399 1.468 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.776 -7.522 5.878 1.00 0.00 N ATOM 1450 CA ARG A 94 -11.065 -6.768 6.904 1.00 0.00 C ATOM 1451 C ARG A 94 -10.097 -7.671 7.659 1.00 0.00 C ATOM 1452 O ARG A 94 -9.053 -7.222 8.133 1.00 0.00 O ATOM 1453 CB ARG A 94 -12.057 -6.133 7.881 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.442 -5.052 8.755 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.510 -4.202 9.424 1.00 0.00 C ATOM 1456 NE ARG A 94 -12.776 -4.634 10.794 1.00 0.00 N ATOM 1457 CZ ARG A 94 -12.002 -4.327 11.832 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -10.914 -3.587 11.661 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -12.317 -4.761 13.045 1.00 0.00 N ATOM 0 H ARG A 94 -12.706 -7.836 6.156 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.496 -5.978 6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.886 -5.705 7.317 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.474 -6.912 8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.812 -5.513 9.516 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.796 -4.416 8.149 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.193 -3.159 9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.431 -4.253 8.843 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.604 -5.205 10.965 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.667 -3.250 10.730 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.324 -3.355 12.460 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.152 -5.330 13.182 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.724 -4.526 13.841 1.00 0.00 H new ATOM 1473 N THR A 95 -10.447 -8.949 7.759 1.00 0.00 N ATOM 1474 CA THR A 95 -9.605 -9.919 8.445 1.00 0.00 C ATOM 1475 C THR A 95 -8.361 -10.212 7.615 1.00 0.00 C ATOM 1476 O THR A 95 -7.245 -10.257 8.134 1.00 0.00 O ATOM 1477 CB THR A 95 -10.396 -11.206 8.715 1.00 0.00 C ATOM 1478 OG1 THR A 95 -10.051 -11.751 9.976 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.191 -12.292 7.676 1.00 0.00 C ATOM 0 H THR A 95 -11.308 -9.336 7.373 1.00 0.00 H new ATOM 0 HA THR A 95 -9.289 -9.503 9.402 1.00 0.00 H new ATOM 0 HB THR A 95 -11.441 -10.900 8.681 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.567 -12.570 10.131 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.785 -13.166 7.942 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.504 -11.924 6.699 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.137 -12.567 7.640 1.00 0.00 H new ATOM 1487 N VAL A 96 -8.569 -10.404 6.319 1.00 0.00 N ATOM 1488 CA VAL A 96 -7.476 -10.688 5.399 1.00 0.00 C ATOM 1489 C VAL A 96 -6.492 -9.525 5.348 1.00 0.00 C ATOM 1490 O VAL A 96 -5.308 -9.688 5.641 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.991 -10.967 3.974 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.851 -11.403 3.067 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -9.092 -12.016 3.998 1.00 0.00 C ATOM 0 H VAL A 96 -9.489 -10.368 5.880 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.972 -11.579 5.774 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.409 -10.043 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.236 -11.595 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.100 -10.614 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.399 -12.313 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.442 -12.199 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.703 -12.943 4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.921 -11.659 4.609 1.00 0.00 H new ATOM 1503 N MET A 97 -6.989 -8.350 4.965 1.00 0.00 N ATOM 1504 CA MET A 97 -6.145 -7.157 4.866 1.00 0.00 C ATOM 1505 C MET A 97 -5.243 -6.989 6.090 1.00 0.00 C ATOM 1506 O MET A 97 -4.023 -6.890 5.963 1.00 0.00 O ATOM 1507 CB MET A 97 -7.008 -5.907 4.691 1.00 0.00 C ATOM 1508 CG MET A 97 -8.186 -5.838 5.648 1.00 0.00 C ATOM 1509 SD MET A 97 -7.943 -4.629 6.962 1.00 0.00 S ATOM 1510 CE MET A 97 -7.566 -3.169 5.998 1.00 0.00 C ATOM 0 H MET A 97 -7.967 -8.197 4.719 1.00 0.00 H new ATOM 0 HA MET A 97 -5.506 -7.288 3.993 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.385 -5.024 4.832 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.381 -5.874 3.667 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.088 -5.586 5.090 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.348 -6.821 6.090 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.853 -2.279 6.558 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.497 -3.137 5.789 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.118 -3.201 5.059 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.850 -6.943 7.271 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.103 -6.771 8.513 1.00 0.00 C ATOM 1522 C ASP A 98 -4.039 -7.853 8.688 1.00 0.00 C ATOM 1523 O ASP A 98 -3.076 -7.669 9.431 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.057 -6.785 9.708 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.645 -5.806 10.789 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.576 -4.594 10.497 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.391 -6.251 11.928 1.00 0.00 O ATOM 0 H ASP A 98 -6.859 -7.023 7.395 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.596 -5.807 8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.064 -6.544 9.368 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.095 -7.790 10.127 1.00 0.00 H new ATOM 1532 N ASN A 99 -4.220 -8.981 8.011 1.00 0.00 N ATOM 1533 CA ASN A 99 -3.274 -10.087 8.110 1.00 0.00 C ATOM 1534 C ASN A 99 -2.133 -9.943 7.109 1.00 0.00 C ATOM 1535 O ASN A 99 -0.962 -9.931 7.490 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.992 -11.420 7.891 1.00 0.00 C ATOM 1537 CG ASN A 99 -4.555 -11.992 9.178 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -4.076 -11.684 10.269 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -5.577 -12.830 9.056 1.00 0.00 N ATOM 0 H ASN A 99 -5.010 -9.154 7.390 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.847 -10.065 9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.801 -11.280 7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -3.297 -12.136 7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.997 -13.247 9.887 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -5.942 -13.057 8.131 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.474 -9.849 5.829 1.00 0.00 N ATOM 1547 CA ILE A 100 -1.465 -9.725 4.785 1.00 0.00 C ATOM 1548 C ILE A 100 -0.608 -8.474 4.971 1.00 0.00 C ATOM 1549 O ILE A 100 0.593 -8.495 4.701 1.00 0.00 O ATOM 1550 CB ILE A 100 -2.095 -9.713 3.378 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -0.999 -9.776 2.313 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -2.963 -8.480 3.183 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.505 -9.548 0.905 1.00 0.00 C ATOM 0 H ILE A 100 -3.436 -9.856 5.491 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.825 -10.603 4.873 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.733 -10.591 3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.239 -9.029 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.513 -10.750 2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.396 -8.494 2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.762 -8.476 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.354 -7.584 3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.672 -9.607 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.243 -10.310 0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.965 -8.562 0.839 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.219 -7.387 5.438 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.481 -6.147 5.657 1.00 0.00 C ATOM 1567 C LYS A 101 0.558 -6.337 6.749 1.00 0.00 C ATOM 1568 O LYS A 101 1.703 -5.904 6.617 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.423 -5.005 6.042 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.711 -3.670 6.198 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.308 -3.407 7.644 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.500 -3.017 8.502 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.216 -3.183 9.954 1.00 0.00 N ATOM 0 H LYS A 101 -2.211 -7.340 5.669 1.00 0.00 H new ATOM 0 HA LYS A 101 0.017 -5.887 4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.198 -4.910 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.923 -5.255 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.177 -3.656 5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.363 -2.868 5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.161 -4.299 8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.437 -2.612 7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.769 -1.980 8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.360 -3.628 8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.919 -3.823 10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.265 -3.584 10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.265 -2.257 10.425 1.00 0.00 H new ATOM 1587 N MET A 102 0.147 -6.992 7.829 1.00 0.00 N ATOM 1588 CA MET A 102 1.037 -7.252 8.957 1.00 0.00 C ATOM 1589 C MET A 102 2.381 -7.782 8.469 1.00 0.00 C ATOM 1590 O MET A 102 3.425 -7.505 9.061 1.00 0.00 O ATOM 1591 CB MET A 102 0.398 -8.256 9.919 1.00 0.00 C ATOM 1592 CG MET A 102 0.704 -7.976 11.381 1.00 0.00 C ATOM 1593 SD MET A 102 -0.294 -8.974 12.503 1.00 0.00 S ATOM 1594 CE MET A 102 -1.535 -7.783 13.003 1.00 0.00 C ATOM 0 H MET A 102 -0.799 -7.354 7.948 1.00 0.00 H new ATOM 0 HA MET A 102 1.203 -6.313 9.485 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.682 -8.248 9.774 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.746 -9.258 9.669 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.760 -8.169 11.571 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.531 -6.920 11.589 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.229 -8.252 13.700 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.051 -6.935 13.488 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.081 -7.436 12.126 1.00 0.00 H new ATOM 1604 N THR A 103 2.342 -8.538 7.378 1.00 0.00 N ATOM 1605 CA THR A 103 3.551 -9.104 6.793 1.00 0.00 C ATOM 1606 C THR A 103 4.362 -8.022 6.083 1.00 0.00 C ATOM 1607 O THR A 103 5.591 -8.018 6.136 1.00 0.00 O ATOM 1608 CB THR A 103 3.189 -10.220 5.812 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.514 -11.272 6.479 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.389 -10.819 5.109 1.00 0.00 C ATOM 0 H THR A 103 1.484 -8.773 6.880 1.00 0.00 H new ATOM 0 HA THR A 103 4.160 -9.522 7.595 1.00 0.00 H new ATOM 0 HB THR A 103 2.551 -9.749 5.064 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.289 -11.976 5.836 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.058 -11.604 4.429 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.905 -10.043 4.544 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.070 -11.242 5.848 1.00 0.00 H new ATOM 1618 N LEU A 104 3.662 -7.106 5.419 1.00 0.00 N ATOM 1619 CA LEU A 104 4.315 -6.019 4.698 1.00 0.00 C ATOM 1620 C LEU A 104 4.775 -4.926 5.657 1.00 0.00 C ATOM 1621 O LEU A 104 5.943 -4.538 5.655 1.00 0.00 O ATOM 1622 CB LEU A 104 3.366 -5.423 3.658 1.00 0.00 C ATOM 1623 CG LEU A 104 3.286 -6.192 2.338 1.00 0.00 C ATOM 1624 CD1 LEU A 104 1.960 -6.926 2.228 1.00 0.00 C ATOM 1625 CD2 LEU A 104 3.475 -5.250 1.158 1.00 0.00 C ATOM 0 H LEU A 104 2.643 -7.095 5.366 1.00 0.00 H new ATOM 0 HA LEU A 104 5.189 -6.431 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.367 -5.368 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.679 -4.400 3.447 1.00 0.00 H new ATOM 0 HG LEU A 104 4.089 -6.929 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.921 -7.467 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.865 -7.631 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.142 -6.207 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.415 -5.815 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.695 -4.489 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.451 -4.770 1.228 1.00 0.00 H new ATOM 1637 N GLN A 105 3.845 -4.430 6.471 1.00 0.00 N ATOM 1638 CA GLN A 105 4.141 -3.374 7.438 1.00 0.00 C ATOM 1639 C GLN A 105 5.469 -3.625 8.147 1.00 0.00 C ATOM 1640 O GLN A 105 6.288 -2.719 8.291 1.00 0.00 O ATOM 1641 CB GLN A 105 3.017 -3.272 8.470 1.00 0.00 C ATOM 1642 CG GLN A 105 2.698 -1.844 8.883 1.00 0.00 C ATOM 1643 CD GLN A 105 2.186 -1.750 10.307 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.828 -2.225 11.243 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.022 -1.134 10.477 1.00 0.00 N ATOM 0 H GLN A 105 2.875 -4.745 6.480 1.00 0.00 H new ATOM 0 HA GLN A 105 4.218 -2.435 6.890 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.117 -3.733 8.062 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.295 -3.844 9.355 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.594 -1.232 8.782 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.951 -1.431 8.204 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.523 -0.755 9.672 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.627 -1.040 11.413 1.00 0.00 H new ATOM 1654 N GLN A 106 5.672 -4.861 8.587 1.00 0.00 N ATOM 1655 CA GLN A 106 6.899 -5.230 9.281 1.00 0.00 C ATOM 1656 C GLN A 106 8.106 -5.102 8.359 1.00 0.00 C ATOM 1657 O GLN A 106 9.122 -4.514 8.729 1.00 0.00 O ATOM 1658 CB GLN A 106 6.799 -6.659 9.815 1.00 0.00 C ATOM 1659 CG GLN A 106 5.876 -6.796 11.016 1.00 0.00 C ATOM 1660 CD GLN A 106 6.000 -8.147 11.694 1.00 0.00 C ATOM 1661 OE1 GLN A 106 6.886 -8.938 11.372 1.00 0.00 O ATOM 1662 NE2 GLN A 106 5.107 -8.417 12.639 1.00 0.00 N ATOM 0 H GLN A 106 5.004 -5.623 8.476 1.00 0.00 H new ATOM 0 HA GLN A 106 7.031 -4.546 10.119 1.00 0.00 H new ATOM 0 HB2 GLN A 106 6.444 -7.312 9.018 1.00 0.00 H new ATOM 0 HB3 GLN A 106 7.795 -7.006 10.091 1.00 0.00 H new ATOM 0 HG2 GLN A 106 6.103 -6.010 11.736 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.845 -6.647 10.696 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.389 -7.731 12.874 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.139 -9.310 13.130 1.00 0.00 H new ATOM 1671 N ILE A 107 7.992 -5.661 7.158 1.00 0.00 N ATOM 1672 CA ILE A 107 9.073 -5.615 6.191 1.00 0.00 C ATOM 1673 C ILE A 107 9.479 -4.179 5.875 1.00 0.00 C ATOM 1674 O ILE A 107 10.621 -3.794 6.099 1.00 0.00 O ATOM 1675 CB ILE A 107 8.681 -6.374 4.900 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.417 -7.705 4.857 1.00 0.00 C ATOM 1677 CG2 ILE A 107 8.971 -5.565 3.642 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.956 -8.618 3.741 1.00 0.00 C ATOM 0 H ILE A 107 7.158 -6.151 6.835 1.00 0.00 H new ATOM 0 HA ILE A 107 9.937 -6.110 6.633 1.00 0.00 H new ATOM 0 HB ILE A 107 7.605 -6.544 4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.485 -7.517 4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.283 -8.215 5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.679 -6.141 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.406 -4.634 3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.037 -5.341 3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.525 -9.547 3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.895 -8.837 3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.115 -8.128 2.781 1.00 0.00 H new ATOM 1690 N ILE A 108 8.547 -3.387 5.359 1.00 0.00 N ATOM 1691 CA ILE A 108 8.848 -2.000 5.028 1.00 0.00 C ATOM 1692 C ILE A 108 9.307 -1.249 6.264 1.00 0.00 C ATOM 1693 O ILE A 108 10.085 -0.299 6.179 1.00 0.00 O ATOM 1694 CB ILE A 108 7.639 -1.279 4.412 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.865 -2.238 3.509 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.101 -0.055 3.637 1.00 0.00 C ATOM 1697 CD1 ILE A 108 5.697 -1.603 2.804 1.00 0.00 C ATOM 0 H ILE A 108 7.589 -3.676 5.163 1.00 0.00 H new ATOM 0 HA ILE A 108 9.647 -2.014 4.287 1.00 0.00 H new ATOM 0 HB ILE A 108 6.974 -0.946 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 108 7.546 -2.650 2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.504 -3.074 4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.237 0.449 3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.620 0.627 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.778 -0.363 2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.199 -2.347 2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.994 -1.216 3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.052 -0.785 2.177 1.00 0.00 H new ATOM 1709 N SER A 109 8.833 -1.700 7.413 1.00 0.00 N ATOM 1710 CA SER A 109 9.203 -1.097 8.681 1.00 0.00 C ATOM 1711 C SER A 109 10.662 -1.407 9.001 1.00 0.00 C ATOM 1712 O SER A 109 11.316 -0.675 9.743 1.00 0.00 O ATOM 1713 CB SER A 109 8.291 -1.617 9.790 1.00 0.00 C ATOM 1714 OG SER A 109 8.750 -1.207 11.066 1.00 0.00 O ATOM 0 H SER A 109 8.188 -2.486 7.493 1.00 0.00 H new ATOM 0 HA SER A 109 9.085 -0.016 8.610 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.276 -1.252 9.631 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.248 -2.705 9.749 1.00 0.00 H new ATOM 0 HG SER A 109 8.147 -1.552 11.757 1.00 0.00 H new ATOM 1720 N ARG A 110 11.169 -2.495 8.422 1.00 0.00 N ATOM 1721 CA ARG A 110 12.553 -2.898 8.629 1.00 0.00 C ATOM 1722 C ARG A 110 13.404 -2.499 7.425 1.00 0.00 C ATOM 1723 O ARG A 110 14.483 -1.925 7.578 1.00 0.00 O ATOM 1724 CB ARG A 110 12.637 -4.412 8.888 1.00 0.00 C ATOM 1725 CG ARG A 110 12.948 -5.251 7.654 1.00 0.00 C ATOM 1726 CD ARG A 110 13.053 -6.728 7.998 1.00 0.00 C ATOM 1727 NE ARG A 110 14.029 -7.418 7.157 1.00 0.00 N ATOM 1728 CZ ARG A 110 14.076 -8.739 7.008 1.00 0.00 C ATOM 1729 NH1 ARG A 110 13.206 -9.517 7.641 1.00 0.00 N ATOM 1730 NH2 ARG A 110 14.995 -9.285 6.223 1.00 0.00 N ATOM 0 H ARG A 110 10.639 -3.111 7.806 1.00 0.00 H new ATOM 0 HA ARG A 110 12.943 -2.384 9.507 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.405 -4.597 9.640 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.690 -4.748 9.310 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.168 -5.105 6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 110 13.883 -4.912 7.209 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.335 -6.837 9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 110 12.077 -7.198 7.880 1.00 0.00 H new ATOM 0 HE ARG A 110 14.714 -6.854 6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 110 12.497 -9.102 8.245 1.00 0.00 H new ATOM 0 HH12 ARG A 110 13.247 -10.529 7.523 1.00 0.00 H new ATOM 0 HH21 ARG A 110 15.665 -8.692 5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 110 15.031 -10.298 6.108 1.00 0.00 H new ATOM 1744 N TYR A 111 12.907 -2.799 6.225 1.00 0.00 N ATOM 1745 CA TYR A 111 13.620 -2.462 4.999 1.00 0.00 C ATOM 1746 C TYR A 111 13.851 -0.958 4.900 1.00 0.00 C ATOM 1747 O TYR A 111 14.829 -0.509 4.305 1.00 0.00 O ATOM 1748 CB TYR A 111 12.835 -2.947 3.775 1.00 0.00 C ATOM 1749 CG TYR A 111 12.999 -4.424 3.466 1.00 0.00 C ATOM 1750 CD1 TYR A 111 13.668 -5.278 4.338 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.477 -4.964 2.296 1.00 0.00 C ATOM 1752 CE1 TYR A 111 13.811 -6.622 4.051 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.616 -6.307 2.003 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.284 -7.132 2.883 1.00 0.00 C ATOM 1755 OH TYR A 111 13.425 -8.470 2.594 1.00 0.00 O ATOM 0 H TYR A 111 12.016 -3.273 6.079 1.00 0.00 H new ATOM 0 HA TYR A 111 14.588 -2.962 5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.777 -2.737 3.931 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.150 -2.370 2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 111 14.082 -4.884 5.254 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.953 -4.322 1.603 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.333 -7.271 4.739 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.203 -6.709 1.089 1.00 0.00 H new ATOM 0 HH TYR A 111 12.996 -8.666 1.735 1.00 0.00 H new ATOM 1765 N LYS A 112 12.945 -0.185 5.488 1.00 0.00 N ATOM 1766 CA LYS A 112 13.049 1.269 5.469 1.00 0.00 C ATOM 1767 C LYS A 112 14.354 1.731 6.108 1.00 0.00 C ATOM 1768 O LYS A 112 15.107 2.508 5.521 1.00 0.00 O ATOM 1769 CB LYS A 112 11.865 1.885 6.213 1.00 0.00 C ATOM 1770 CG LYS A 112 10.687 2.221 5.315 1.00 0.00 C ATOM 1771 CD LYS A 112 10.698 3.686 4.910 1.00 0.00 C ATOM 1772 CE LYS A 112 10.638 4.602 6.123 1.00 0.00 C ATOM 1773 NZ LYS A 112 9.389 5.412 6.146 1.00 0.00 N ATOM 0 H LYS A 112 12.129 -0.542 5.985 1.00 0.00 H new ATOM 0 HA LYS A 112 13.038 1.598 4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.534 1.193 6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.197 2.793 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.717 1.595 4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.756 1.992 5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.600 3.899 4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.850 3.890 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.700 4.004 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.502 5.267 6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.338 5.947 7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.390 6.074 5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.565 4.782 6.073 1.00 0.00 H new ATOM 1969 N ASP B 70 -11.572 5.907 2.148 1.00 0.00 N ATOM 1970 CA ASP B 70 -11.104 7.210 2.609 1.00 0.00 C ATOM 1971 C ASP B 70 -10.877 7.239 4.123 1.00 0.00 C ATOM 1972 O ASP B 70 -11.387 8.116 4.820 1.00 0.00 O ATOM 1973 CB ASP B 70 -12.106 8.290 2.206 1.00 0.00 C ATOM 1974 CG ASP B 70 -11.607 9.688 2.515 1.00 0.00 C ATOM 1975 OD1 ASP B 70 -10.782 10.209 1.736 1.00 0.00 O ATOM 1976 OD2 ASP B 70 -12.042 10.262 3.536 1.00 0.00 O ATOM 0 HA ASP B 70 -10.142 7.404 2.134 1.00 0.00 H new ATOM 0 HB2 ASP B 70 -12.313 8.209 1.139 1.00 0.00 H new ATOM 0 HB3 ASP B 70 -13.048 8.120 2.727 1.00 0.00 H new ATOM 1981 N ALA B 71 -10.096 6.284 4.624 1.00 0.00 N ATOM 1982 CA ALA B 71 -9.789 6.213 6.054 1.00 0.00 C ATOM 1983 C ALA B 71 -8.445 5.536 6.307 1.00 0.00 C ATOM 1984 O ALA B 71 -8.134 5.163 7.438 1.00 0.00 O ATOM 1985 CB ALA B 71 -10.906 5.502 6.806 1.00 0.00 C ATOM 0 H ALA B 71 -9.664 5.549 4.063 1.00 0.00 H new ATOM 0 HA ALA B 71 -9.715 7.234 6.429 1.00 0.00 H new ATOM 0 HB1 ALA B 71 -10.660 5.459 7.867 1.00 0.00 H new ATOM 0 HB2 ALA B 71 -11.840 6.048 6.672 1.00 0.00 H new ATOM 0 HB3 ALA B 71 -11.019 4.490 6.418 1.00 0.00 H new ATOM 1991 N THR B 72 -7.633 5.411 5.260 1.00 0.00 N ATOM 1992 CA THR B 72 -6.310 4.814 5.394 1.00 0.00 C ATOM 1993 C THR B 72 -5.237 5.892 5.309 1.00 0.00 C ATOM 1994 O THR B 72 -4.061 5.635 5.567 1.00 0.00 O ATOM 1995 CB THR B 72 -6.064 3.752 4.323 1.00 0.00 C ATOM 1996 OG1 THR B 72 -7.261 3.438 3.646 1.00 0.00 O ATOM 1997 CG2 THR B 72 -5.491 2.463 4.874 1.00 0.00 C ATOM 0 H THR B 72 -7.868 5.714 4.315 1.00 0.00 H new ATOM 0 HA THR B 72 -6.261 4.329 6.369 1.00 0.00 H new ATOM 0 HB THR B 72 -5.332 4.191 3.645 1.00 0.00 H new ATOM 0 HG1 THR B 72 -7.438 4.117 2.962 1.00 0.00 H new ATOM 0 HG21 THR B 72 -5.341 1.754 4.060 1.00 0.00 H new ATOM 0 HG22 THR B 72 -4.536 2.667 5.358 1.00 0.00 H new ATOM 0 HG23 THR B 72 -6.183 2.039 5.602 1.00 0.00 H new ATOM 2005 N TRP B 73 -5.652 7.107 4.954 1.00 0.00 N ATOM 2006 CA TRP B 73 -4.736 8.235 4.844 1.00 0.00 C ATOM 2007 C TRP B 73 -4.443 8.770 6.237 1.00 0.00 C ATOM 2008 O TRP B 73 -4.564 9.964 6.512 1.00 0.00 O ATOM 2009 CB TRP B 73 -5.344 9.318 3.945 1.00 0.00 C ATOM 2010 CG TRP B 73 -6.177 8.745 2.834 1.00 0.00 C ATOM 2011 CD1 TRP B 73 -7.259 9.313 2.233 1.00 0.00 C ATOM 2012 CD2 TRP B 73 -5.993 7.475 2.206 1.00 0.00 C ATOM 2013 NE1 TRP B 73 -7.762 8.469 1.268 1.00 0.00 N ATOM 2014 CE2 TRP B 73 -6.997 7.332 1.235 1.00 0.00 C ATOM 2015 CE3 TRP B 73 -5.073 6.446 2.376 1.00 0.00 C ATOM 2016 CZ2 TRP B 73 -7.099 6.191 0.439 1.00 0.00 C ATOM 2017 CZ3 TRP B 73 -5.172 5.322 1.591 1.00 0.00 C ATOM 2018 CH2 TRP B 73 -6.176 5.201 0.634 1.00 0.00 C ATOM 0 H TRP B 73 -6.623 7.333 4.737 1.00 0.00 H new ATOM 0 HA TRP B 73 -3.799 7.915 4.388 1.00 0.00 H new ATOM 0 HB2 TRP B 73 -5.960 9.984 4.550 1.00 0.00 H new ATOM 0 HB3 TRP B 73 -4.544 9.923 3.519 1.00 0.00 H new ATOM 0 HD1 TRP B 73 -7.664 10.284 2.478 1.00 0.00 H new ATOM 0 HE1 TRP B 73 -8.570 8.659 0.676 1.00 0.00 H new ATOM 0 HE3 TRP B 73 -4.290 6.529 3.116 1.00 0.00 H new ATOM 0 HZ2 TRP B 73 -7.877 6.093 -0.303 1.00 0.00 H new ATOM 0 HZ3 TRP B 73 -4.460 4.520 1.719 1.00 0.00 H new ATOM 0 HH2 TRP B 73 -6.227 4.306 0.032 1.00 0.00 H new ATOM 2029 N ASP B 74 -4.079 7.841 7.111 1.00 0.00 N ATOM 2030 CA ASP B 74 -3.779 8.130 8.499 1.00 0.00 C ATOM 2031 C ASP B 74 -3.254 6.859 9.163 1.00 0.00 C ATOM 2032 O ASP B 74 -3.541 6.581 10.327 1.00 0.00 O ATOM 2033 CB ASP B 74 -5.052 8.614 9.204 1.00 0.00 C ATOM 2034 CG ASP B 74 -4.758 9.360 10.491 1.00 0.00 C ATOM 2035 OD1 ASP B 74 -4.536 8.695 11.524 1.00 0.00 O ATOM 2036 OD2 ASP B 74 -4.751 10.608 10.465 1.00 0.00 O ATOM 0 H ASP B 74 -3.984 6.855 6.869 1.00 0.00 H new ATOM 0 HA ASP B 74 -3.022 8.912 8.568 1.00 0.00 H new ATOM 0 HB2 ASP B 74 -5.611 9.264 8.531 1.00 0.00 H new ATOM 0 HB3 ASP B 74 -5.690 7.758 9.422 1.00 0.00 H new ATOM 2041 N LEU B 75 -2.504 6.078 8.384 1.00 0.00 N ATOM 2042 CA LEU B 75 -1.952 4.810 8.847 1.00 0.00 C ATOM 2043 C LEU B 75 -0.444 4.896 9.079 1.00 0.00 C ATOM 2044 O LEU B 75 0.013 5.186 10.185 1.00 0.00 O ATOM 2045 CB LEU B 75 -2.249 3.722 7.808 1.00 0.00 C ATOM 2046 CG LEU B 75 -3.415 2.785 8.114 1.00 0.00 C ATOM 2047 CD1 LEU B 75 -3.325 2.252 9.535 1.00 0.00 C ATOM 2048 CD2 LEU B 75 -4.745 3.483 7.869 1.00 0.00 C ATOM 0 H LEU B 75 -2.265 6.308 7.419 1.00 0.00 H new ATOM 0 HA LEU B 75 -2.421 4.566 9.800 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.444 4.208 6.852 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -1.351 3.118 7.681 1.00 0.00 H new ATOM 0 HG LEU B 75 -3.355 1.933 7.437 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -4.167 1.587 9.728 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -2.392 1.702 9.659 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -3.351 3.084 10.238 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -5.562 2.798 8.093 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -4.820 4.360 8.512 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -4.807 3.792 6.826 1.00 0.00 H new