USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 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 30 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 31 ASN : amide:sc= 0 X(o=0,f=0.071) USER MOD Set 2.1: A 26 LYS NZ :NH3+ 172:sc= 1.04 (180deg=0.987) USER MOD Set 2.2: A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00362) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0434 X(o=-0.043,f=-0.043) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.5 K(o=-0.5,f=-1.3) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -27:sc= 0.276 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -77:sc= 1.25 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 81 LYS NZ :NH3+ -137:sc= 0.378 (180deg=0.0193) USER MOD Single : A 82 THR OG1 : rot 78:sc= 0.604 USER MOD Single : A 84 MET CE :methyl 167:sc= -0.213 (180deg=-0.578) USER MOD Single : A 87 TYR OH : rot 162:sc= -1.06 USER MOD Single : A 90 ASN : amide:sc= -0.0825 K(o=-0.083,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -2.795 9.306 10.751 1.00 0.00 N ATOM 2 CA MET A 15 -1.563 9.075 10.008 1.00 0.00 C ATOM 3 C MET A 15 -1.591 7.760 9.262 1.00 0.00 C ATOM 4 O MET A 15 -1.181 7.739 8.112 1.00 0.00 O ATOM 5 CB MET A 15 -0.325 9.167 10.936 1.00 0.00 C ATOM 6 CG MET A 15 -0.441 10.404 11.864 1.00 0.00 C ATOM 7 SD MET A 15 1.192 10.911 12.499 1.00 0.00 S ATOM 8 CE MET A 15 1.544 9.612 13.721 1.00 0.00 C ATOM 0 HA MET A 15 -1.484 9.865 9.262 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.243 8.260 11.535 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.583 9.237 10.337 1.00 0.00 H new ATOM 0 HG2 MET A 15 -0.893 11.231 11.317 1.00 0.00 H new ATOM 0 HG3 MET A 15 -1.103 10.174 12.699 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.513 9.801 14.184 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.769 9.614 14.487 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.562 8.641 13.225 1.00 0.00 H new ATOM 18 N ALA A 16 -2.089 6.656 9.870 1.00 0.00 N ATOM 19 CA ALA A 16 -2.239 5.415 9.119 1.00 0.00 C ATOM 20 C ALA A 16 -3.070 5.617 7.850 1.00 0.00 C ATOM 21 O ALA A 16 -2.656 5.053 6.850 1.00 0.00 O ATOM 22 CB ALA A 16 -2.778 4.258 10.001 1.00 0.00 C ATOM 0 H ALA A 16 -2.381 6.611 10.846 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.242 5.115 8.797 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.873 3.355 9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.086 4.074 10.823 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.754 4.531 10.402 1.00 0.00 H new ATOM 28 N PRO A 17 -4.187 6.379 7.795 1.00 0.00 N ATOM 29 CA PRO A 17 -4.866 6.598 6.516 1.00 0.00 C ATOM 30 C PRO A 17 -4.066 7.512 5.613 1.00 0.00 C ATOM 31 O PRO A 17 -4.084 7.312 4.409 1.00 0.00 O ATOM 32 CB PRO A 17 -6.201 7.264 6.918 1.00 0.00 C ATOM 33 CG PRO A 17 -6.032 7.704 8.396 1.00 0.00 C ATOM 34 CD PRO A 17 -4.775 7.016 8.961 1.00 0.00 C ATOM 0 HA PRO A 17 -5.000 5.673 5.955 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.418 8.120 6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.032 6.567 6.811 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.934 8.788 8.461 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.911 7.427 8.978 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.092 7.735 9.413 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.028 6.288 9.732 1.00 0.00 H new ATOM 42 N ALA A 18 -3.343 8.520 6.154 1.00 0.00 N ATOM 43 CA ALA A 18 -2.457 9.292 5.291 1.00 0.00 C ATOM 44 C ALA A 18 -1.414 8.358 4.716 1.00 0.00 C ATOM 45 O ALA A 18 -0.951 8.603 3.613 1.00 0.00 O ATOM 46 CB ALA A 18 -1.708 10.407 6.060 1.00 0.00 C ATOM 0 H ALA A 18 -3.359 8.799 7.135 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.072 9.756 4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.062 10.952 5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.431 11.094 6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.103 9.961 6.850 1.00 0.00 H new ATOM 52 N LEU A 19 -1.020 7.294 5.459 1.00 0.00 N ATOM 53 CA LEU A 19 0.023 6.408 4.966 1.00 0.00 C ATOM 54 C LEU A 19 -0.548 5.746 3.721 1.00 0.00 C ATOM 55 O LEU A 19 -0.048 6.102 2.664 1.00 0.00 O ATOM 56 CB LEU A 19 0.554 5.444 6.063 1.00 0.00 C ATOM 57 CG LEU A 19 2.027 4.968 5.897 1.00 0.00 C ATOM 58 CD1 LEU A 19 2.307 4.479 4.455 1.00 0.00 C ATOM 59 CD2 LEU A 19 3.072 6.047 6.302 1.00 0.00 C ATOM 0 H LEU A 19 -1.404 7.047 6.371 1.00 0.00 H new ATOM 0 HA LEU A 19 0.930 6.947 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.459 5.938 7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.090 4.565 6.090 1.00 0.00 H new ATOM 0 HG LEU A 19 2.141 4.132 6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.345 4.154 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.647 3.644 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.127 5.293 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.078 5.650 6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.941 6.932 5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.930 6.316 7.349 1.00 0.00 H new ATOM 71 N VAL A 20 -1.593 4.867 3.780 1.00 0.00 N ATOM 72 CA VAL A 20 -2.141 4.287 2.540 1.00 0.00 C ATOM 73 C VAL A 20 -2.255 5.330 1.446 1.00 0.00 C ATOM 74 O VAL A 20 -2.009 5.017 0.289 1.00 0.00 O ATOM 75 CB VAL A 20 -3.506 3.547 2.691 1.00 0.00 C ATOM 76 CG1 VAL A 20 -4.641 4.486 3.157 1.00 0.00 C ATOM 77 CG2 VAL A 20 -3.955 2.836 1.379 1.00 0.00 C ATOM 0 H VAL A 20 -2.049 4.562 4.640 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.413 3.523 2.268 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.328 2.793 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.568 3.920 3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.384 4.915 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.773 5.287 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.911 2.338 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.062 3.574 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.206 2.098 1.091 1.00 0.00 H new ATOM 87 N ALA A 21 -2.626 6.585 1.800 1.00 0.00 N ATOM 88 CA ALA A 21 -2.750 7.603 0.766 1.00 0.00 C ATOM 89 C ALA A 21 -1.409 7.878 0.105 1.00 0.00 C ATOM 90 O ALA A 21 -1.372 8.068 -1.102 1.00 0.00 O ATOM 91 CB ALA A 21 -3.378 8.923 1.273 1.00 0.00 C ATOM 0 H ALA A 21 -2.833 6.893 2.750 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.438 7.192 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.440 9.636 0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.378 8.726 1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.759 9.339 2.068 1.00 0.00 H new ATOM 97 N ALA A 22 -0.301 7.886 0.891 1.00 0.00 N ATOM 98 CA ALA A 22 1.039 8.129 0.350 1.00 0.00 C ATOM 99 C ALA A 22 1.430 7.302 -0.861 1.00 0.00 C ATOM 100 O ALA A 22 2.424 7.659 -1.474 1.00 0.00 O ATOM 101 CB ALA A 22 2.138 7.879 1.420 1.00 0.00 C ATOM 0 H ALA A 22 -0.321 7.726 1.898 1.00 0.00 H new ATOM 0 HA ALA A 22 0.979 9.172 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.119 8.068 0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.981 8.548 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.086 6.845 1.761 1.00 0.00 H new ATOM 107 N PHE A 23 0.715 6.213 -1.239 1.00 0.00 N ATOM 108 CA PHE A 23 1.090 5.459 -2.443 1.00 0.00 C ATOM 109 C PHE A 23 -0.134 4.898 -3.154 1.00 0.00 C ATOM 110 O PHE A 23 -0.235 5.090 -4.357 1.00 0.00 O ATOM 111 CB PHE A 23 2.140 4.396 -2.017 1.00 0.00 C ATOM 112 CG PHE A 23 3.205 3.867 -2.992 1.00 0.00 C ATOM 113 CD1 PHE A 23 3.786 4.651 -3.999 1.00 0.00 C ATOM 114 CD2 PHE A 23 3.651 2.549 -2.822 1.00 0.00 C ATOM 115 CE1 PHE A 23 4.864 4.138 -4.730 1.00 0.00 C ATOM 116 CE2 PHE A 23 4.583 1.986 -3.693 1.00 0.00 C ATOM 117 CZ PHE A 23 5.154 2.772 -4.698 1.00 0.00 C ATOM 0 H PHE A 23 -0.098 5.852 -0.740 1.00 0.00 H new ATOM 0 HA PHE A 23 1.548 6.104 -3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.674 4.807 -1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.583 3.530 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.406 5.640 -4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.266 1.960 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.475 4.803 -5.322 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.862 0.948 -3.592 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.807 2.331 -5.436 1.00 0.00 H new ATOM 127 N GLY A 24 -1.091 4.232 -2.456 1.00 0.00 N ATOM 128 CA GLY A 24 -2.357 3.880 -3.097 1.00 0.00 C ATOM 129 C GLY A 24 -3.230 5.090 -3.364 1.00 0.00 C ATOM 130 O GLY A 24 -4.035 5.015 -4.280 1.00 0.00 O ATOM 0 H GLY A 24 -1.004 3.942 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.154 3.368 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.899 3.178 -2.463 1.00 0.00 H new ATOM 134 N GLY A 25 -3.100 6.195 -2.588 1.00 0.00 N ATOM 135 CA GLY A 25 -3.871 7.408 -2.883 1.00 0.00 C ATOM 136 C GLY A 25 -3.108 8.379 -3.753 1.00 0.00 C ATOM 137 O GLY A 25 -3.660 9.428 -4.052 1.00 0.00 O ATOM 0 H GLY A 25 -2.484 6.263 -1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.801 7.132 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.143 7.898 -1.948 1.00 0.00 H new ATOM 141 N LYS A 26 -1.860 8.067 -4.175 1.00 0.00 N ATOM 142 CA LYS A 26 -1.183 8.931 -5.138 1.00 0.00 C ATOM 143 C LYS A 26 -1.933 8.676 -6.431 1.00 0.00 C ATOM 144 O LYS A 26 -1.521 7.812 -7.187 1.00 0.00 O ATOM 145 CB LYS A 26 0.318 8.542 -5.241 1.00 0.00 C ATOM 146 CG LYS A 26 1.146 8.865 -3.966 1.00 0.00 C ATOM 147 CD LYS A 26 1.418 10.386 -3.759 1.00 0.00 C ATOM 148 CE LYS A 26 2.891 10.710 -3.363 1.00 0.00 C ATOM 149 NZ LYS A 26 3.224 10.377 -1.959 1.00 0.00 N ATOM 0 H LYS A 26 -1.327 7.252 -3.871 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.191 9.987 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.392 7.475 -5.449 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.760 9.063 -6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.618 8.478 -3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.099 8.339 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.172 10.919 -4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.751 10.763 -2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.563 10.163 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.076 11.772 -3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.247 10.492 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.706 11.013 -1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.953 9.392 -1.762 1.00 0.00 H new ATOM 163 N GLU A 27 -3.058 9.389 -6.692 1.00 0.00 N ATOM 164 CA GLU A 27 -3.861 9.097 -7.888 1.00 0.00 C ATOM 165 C GLU A 27 -3.044 9.355 -9.140 1.00 0.00 C ATOM 166 O GLU A 27 -3.208 8.631 -10.111 1.00 0.00 O ATOM 167 CB GLU A 27 -5.240 9.846 -7.920 1.00 0.00 C ATOM 168 CG GLU A 27 -5.354 10.915 -9.041 1.00 0.00 C ATOM 169 CD GLU A 27 -6.646 11.681 -8.896 1.00 0.00 C ATOM 170 OE1 GLU A 27 -6.645 12.711 -8.167 1.00 0.00 O ATOM 171 OE2 GLU A 27 -7.670 11.261 -9.500 1.00 0.00 O ATOM 0 H GLU A 27 -3.414 10.145 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.119 8.039 -7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.037 9.113 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.403 10.327 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.508 11.600 -8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.315 10.434 -10.018 1.00 0.00 H new ATOM 178 N ASN A 28 -2.159 10.385 -9.121 1.00 0.00 N ATOM 179 CA ASN A 28 -1.307 10.691 -10.282 1.00 0.00 C ATOM 180 C ASN A 28 -0.706 9.457 -10.931 1.00 0.00 C ATOM 181 O ASN A 28 -0.459 9.477 -12.126 1.00 0.00 O ATOM 182 CB ASN A 28 -0.142 11.617 -9.835 1.00 0.00 C ATOM 183 CG ASN A 28 0.793 11.910 -10.985 1.00 0.00 C ATOM 184 OD1 ASN A 28 0.403 12.655 -11.871 1.00 0.00 O ATOM 185 ND2 ASN A 28 2.019 11.338 -11.007 1.00 0.00 N ATOM 0 H ASN A 28 -2.023 11.005 -8.323 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.950 11.173 -11.018 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.546 12.551 -9.444 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.412 11.144 -9.024 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.655 11.524 -11.783 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.308 10.721 -10.248 1.00 0.00 H new ATOM 192 N ILE A 29 -0.475 8.401 -10.119 1.00 0.00 N ATOM 193 CA ILE A 29 -0.017 7.081 -10.575 1.00 0.00 C ATOM 194 C ILE A 29 -0.049 6.670 -12.039 1.00 0.00 C ATOM 195 O ILE A 29 -0.847 7.168 -12.814 1.00 0.00 O ATOM 196 CB ILE A 29 -0.759 6.011 -9.701 1.00 0.00 C ATOM 197 CG1 ILE A 29 0.156 5.396 -8.599 1.00 0.00 C ATOM 198 CG2 ILE A 29 -1.457 4.887 -10.527 1.00 0.00 C ATOM 199 CD1 ILE A 29 1.188 6.330 -7.895 1.00 0.00 C ATOM 0 H ILE A 29 -0.606 8.450 -9.109 1.00 0.00 H new ATOM 0 HA ILE A 29 1.063 7.154 -10.448 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.553 6.572 -9.208 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.488 4.971 -7.829 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.706 4.568 -9.046 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.947 4.188 -9.849 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.200 5.331 -11.190 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.713 4.356 -11.120 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.749 5.760 -7.155 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.875 6.737 -8.637 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.662 7.147 -7.401 1.00 0.00 H new ATOM 211 N THR A 30 0.839 5.705 -12.404 1.00 0.00 N ATOM 212 CA THR A 30 0.954 5.199 -13.778 1.00 0.00 C ATOM 213 C THR A 30 0.414 3.776 -13.891 1.00 0.00 C ATOM 214 O THR A 30 -0.429 3.568 -14.751 1.00 0.00 O ATOM 215 CB THR A 30 2.405 5.314 -14.360 1.00 0.00 C ATOM 216 OG1 THR A 30 2.637 4.188 -15.226 1.00 0.00 O ATOM 217 CG2 THR A 30 3.515 5.380 -13.279 1.00 0.00 C ATOM 0 H THR A 30 1.486 5.266 -11.750 1.00 0.00 H new ATOM 0 HA THR A 30 0.332 5.847 -14.396 1.00 0.00 H new ATOM 0 HB THR A 30 2.462 6.258 -14.902 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.541 4.244 -15.601 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.489 5.458 -13.762 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.353 6.251 -12.644 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.484 4.477 -12.670 1.00 0.00 H new ATOM 225 N ASN A 31 0.864 2.769 -13.093 1.00 0.00 N ATOM 226 CA ASN A 31 0.442 1.380 -13.340 1.00 0.00 C ATOM 227 C ASN A 31 0.425 0.539 -12.074 1.00 0.00 C ATOM 228 O ASN A 31 1.499 0.219 -11.592 1.00 0.00 O ATOM 229 CB ASN A 31 1.423 0.743 -14.369 1.00 0.00 C ATOM 230 CG ASN A 31 0.846 0.743 -15.767 1.00 0.00 C ATOM 231 OD1 ASN A 31 1.206 1.593 -16.567 1.00 0.00 O ATOM 232 ND2 ASN A 31 -0.064 -0.210 -16.076 1.00 0.00 N ATOM 0 H ASN A 31 1.496 2.894 -12.303 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.578 1.401 -13.723 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.364 1.294 -14.364 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.651 -0.280 -14.069 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.478 -0.237 -17.008 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.336 -0.901 -15.377 1.00 0.00 H new ATOM 239 N LEU A 32 -0.764 0.152 -11.539 1.00 0.00 N ATOM 240 CA LEU A 32 -0.851 -0.738 -10.370 1.00 0.00 C ATOM 241 C LEU A 32 -1.461 -2.053 -10.823 1.00 0.00 C ATOM 242 O LEU A 32 -2.060 -2.084 -11.886 1.00 0.00 O ATOM 243 CB LEU A 32 -1.738 -0.096 -9.255 1.00 0.00 C ATOM 244 CG LEU A 32 -1.007 0.932 -8.334 1.00 0.00 C ATOM 245 CD1 LEU A 32 0.006 1.811 -9.107 1.00 0.00 C ATOM 246 CD2 LEU A 32 -2.013 1.824 -7.555 1.00 0.00 C ATOM 0 H LEU A 32 -1.669 0.447 -11.905 1.00 0.00 H new ATOM 0 HA LEU A 32 0.144 -0.902 -9.956 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.584 0.402 -9.728 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.144 -0.893 -8.632 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.442 0.340 -7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.484 2.507 -8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.764 1.175 -9.565 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.516 2.371 -9.883 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.466 2.526 -6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.632 2.377 -8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.648 1.196 -6.930 1.00 0.00 H new ATOM 258 N ASP A 33 -1.313 -3.144 -10.028 1.00 0.00 N ATOM 259 CA ASP A 33 -1.912 -4.439 -10.369 1.00 0.00 C ATOM 260 C ASP A 33 -2.660 -4.912 -9.139 1.00 0.00 C ATOM 261 O ASP A 33 -2.257 -5.881 -8.513 1.00 0.00 O ATOM 262 CB ASP A 33 -0.853 -5.495 -10.792 1.00 0.00 C ATOM 263 CG ASP A 33 -0.058 -5.178 -12.034 1.00 0.00 C ATOM 264 OD1 ASP A 33 -0.182 -4.045 -12.570 1.00 0.00 O ATOM 265 OD2 ASP A 33 0.712 -6.072 -12.486 1.00 0.00 O ATOM 0 H ASP A 33 -0.786 -3.143 -9.155 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.574 -4.318 -11.226 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.157 -5.633 -9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.360 -6.448 -10.943 1.00 0.00 H new ATOM 270 N ALA A 34 -3.761 -4.212 -8.775 1.00 0.00 N ATOM 271 CA ALA A 34 -4.506 -4.592 -7.575 1.00 0.00 C ATOM 272 C ALA A 34 -5.046 -5.999 -7.713 1.00 0.00 C ATOM 273 O ALA A 34 -5.376 -6.373 -8.828 1.00 0.00 O ATOM 274 CB ALA A 34 -5.650 -3.600 -7.247 1.00 0.00 C ATOM 0 H ALA A 34 -4.135 -3.410 -9.282 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.807 -4.557 -6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.170 -3.929 -6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.234 -2.606 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.352 -3.566 -8.080 1.00 0.00 H new ATOM 280 N CYS A 35 -5.139 -6.794 -6.616 1.00 0.00 N ATOM 281 CA CYS A 35 -5.652 -8.163 -6.748 1.00 0.00 C ATOM 282 C CYS A 35 -6.045 -8.743 -5.395 1.00 0.00 C ATOM 283 O CYS A 35 -5.683 -8.154 -4.388 1.00 0.00 O ATOM 284 CB CYS A 35 -4.606 -9.052 -7.489 1.00 0.00 C ATOM 285 SG CYS A 35 -5.332 -10.091 -8.799 1.00 0.00 S ATOM 0 H CYS A 35 -4.875 -6.517 -5.671 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.562 -8.142 -7.348 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.841 -8.411 -7.927 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.107 -9.693 -6.763 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.396 -10.794 -9.364 1.00 0.00 H new ATOM 291 N ILE A 36 -6.790 -9.879 -5.370 1.00 0.00 N ATOM 292 CA ILE A 36 -7.347 -10.445 -4.133 1.00 0.00 C ATOM 293 C ILE A 36 -6.611 -10.086 -2.852 1.00 0.00 C ATOM 294 O ILE A 36 -7.169 -9.384 -2.021 1.00 0.00 O ATOM 295 CB ILE A 36 -7.681 -11.980 -4.214 1.00 0.00 C ATOM 296 CG1 ILE A 36 -6.477 -12.971 -4.375 1.00 0.00 C ATOM 297 CG2 ILE A 36 -8.773 -12.285 -5.287 1.00 0.00 C ATOM 298 CD1 ILE A 36 -5.508 -12.674 -5.556 1.00 0.00 C ATOM 0 H ILE A 36 -7.015 -10.418 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.302 -9.925 -4.059 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.062 -12.181 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.902 -12.968 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.874 -13.978 -4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.972 -13.356 -5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.689 -11.750 -5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.421 -11.961 -6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.714 -13.421 -5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.059 -12.709 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.071 -11.683 -5.428 1.00 0.00 H new ATOM 310 N THR A 37 -5.354 -10.545 -2.664 1.00 0.00 N ATOM 311 CA THR A 37 -4.582 -10.238 -1.466 1.00 0.00 C ATOM 312 C THR A 37 -3.206 -9.832 -1.952 1.00 0.00 C ATOM 313 O THR A 37 -2.223 -10.149 -1.303 1.00 0.00 O ATOM 314 CB THR A 37 -4.556 -11.511 -0.581 1.00 0.00 C ATOM 315 OG1 THR A 37 -4.079 -12.598 -1.390 1.00 0.00 O ATOM 316 CG2 THR A 37 -5.970 -11.830 -0.022 1.00 0.00 C ATOM 0 H THR A 37 -4.861 -11.131 -3.337 1.00 0.00 H new ATOM 0 HA THR A 37 -5.000 -9.432 -0.862 1.00 0.00 H new ATOM 0 HB THR A 37 -3.899 -11.355 0.274 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.051 -13.417 -0.853 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.923 -12.727 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.320 -10.992 0.581 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.660 -11.994 -0.850 1.00 0.00 H new ATOM 324 N ARG A 38 -3.149 -9.138 -3.115 1.00 0.00 N ATOM 325 CA ARG A 38 -1.884 -8.876 -3.786 1.00 0.00 C ATOM 326 C ARG A 38 -2.021 -7.627 -4.626 1.00 0.00 C ATOM 327 O ARG A 38 -2.752 -7.694 -5.601 1.00 0.00 O ATOM 328 CB ARG A 38 -1.500 -10.124 -4.628 1.00 0.00 C ATOM 329 CG ARG A 38 -0.199 -9.924 -5.465 1.00 0.00 C ATOM 330 CD ARG A 38 -0.431 -9.860 -7.001 1.00 0.00 C ATOM 331 NE ARG A 38 -0.818 -11.192 -7.502 1.00 0.00 N ATOM 332 CZ ARG A 38 -0.044 -12.050 -8.136 1.00 0.00 C ATOM 333 NH1 ARG A 38 1.229 -11.854 -8.426 1.00 0.00 N ATOM 334 NH2 ARG A 38 -0.570 -13.197 -8.509 1.00 0.00 N ATOM 0 H ARG A 38 -3.966 -8.758 -3.593 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.082 -8.699 -3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.368 -10.977 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.323 -10.368 -5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.288 -9.003 -5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.489 -10.741 -5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.211 -9.134 -7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.476 -9.522 -7.502 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.784 -11.479 -7.341 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.686 -10.983 -8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.756 -12.574 -8.921 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.549 -13.399 -8.305 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.001 -13.884 -9.002 1.00 0.00 H new ATOM 348 N LEU A 39 -1.352 -6.496 -4.270 1.00 0.00 N ATOM 349 CA LEU A 39 -1.425 -5.281 -5.079 1.00 0.00 C ATOM 350 C LEU A 39 -0.048 -4.992 -5.631 1.00 0.00 C ATOM 351 O LEU A 39 0.850 -5.780 -5.412 1.00 0.00 O ATOM 352 CB LEU A 39 -2.287 -4.176 -4.374 1.00 0.00 C ATOM 353 CG LEU A 39 -1.842 -3.637 -2.971 1.00 0.00 C ATOM 354 CD1 LEU A 39 -1.025 -2.322 -3.101 1.00 0.00 C ATOM 355 CD2 LEU A 39 -3.059 -3.323 -2.046 1.00 0.00 C ATOM 0 H LEU A 39 -0.768 -6.416 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.014 -5.373 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.343 -3.323 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.299 -4.567 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.235 -4.431 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.732 -1.976 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.133 -2.506 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.636 -1.560 -3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.700 -2.953 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.687 -2.566 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.641 -4.231 -1.890 1.00 0.00 H new ATOM 367 N ARG A 40 0.179 -3.909 -6.388 1.00 0.00 N ATOM 368 CA ARG A 40 1.543 -3.652 -6.891 1.00 0.00 C ATOM 369 C ARG A 40 1.619 -2.191 -7.226 1.00 0.00 C ATOM 370 O ARG A 40 0.548 -1.667 -7.476 1.00 0.00 O ATOM 371 CB ARG A 40 1.978 -4.395 -8.186 1.00 0.00 C ATOM 372 CG ARG A 40 1.830 -5.933 -8.118 1.00 0.00 C ATOM 373 CD ARG A 40 2.403 -6.600 -9.408 1.00 0.00 C ATOM 374 NE ARG A 40 1.660 -7.809 -9.778 1.00 0.00 N ATOM 375 CZ ARG A 40 2.010 -8.619 -10.755 1.00 0.00 C ATOM 376 NH1 ARG A 40 3.072 -8.415 -11.500 1.00 0.00 N ATOM 377 NH2 ARG A 40 1.263 -9.674 -11.000 1.00 0.00 N ATOM 0 H ARG A 40 -0.526 -3.223 -6.658 1.00 0.00 H new ATOM 0 HA ARG A 40 2.201 -4.008 -6.098 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.386 -4.021 -9.021 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.019 -4.151 -8.399 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.353 -6.315 -7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.779 -6.197 -8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.368 -5.887 -10.231 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.451 -6.853 -9.250 1.00 0.00 H new ATOM 0 HE ARG A 40 0.820 -8.036 -9.246 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.664 -7.602 -11.332 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.305 -9.070 -12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.431 -9.851 -10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.516 -10.315 -11.752 1.00 0.00 H new ATOM 391 N VAL A 41 2.797 -1.520 -7.242 1.00 0.00 N ATOM 392 CA VAL A 41 2.798 -0.073 -7.383 1.00 0.00 C ATOM 393 C VAL A 41 3.883 0.386 -8.343 1.00 0.00 C ATOM 394 O VAL A 41 4.792 1.091 -7.931 1.00 0.00 O ATOM 395 CB VAL A 41 2.826 0.553 -5.960 1.00 0.00 C ATOM 396 CG1 VAL A 41 2.189 1.973 -5.975 1.00 0.00 C ATOM 397 CG2 VAL A 41 2.106 -0.302 -4.878 1.00 0.00 C ATOM 0 H VAL A 41 3.717 -1.952 -7.161 1.00 0.00 H new ATOM 0 HA VAL A 41 1.886 0.289 -7.857 1.00 0.00 H new ATOM 0 HB VAL A 41 3.881 0.600 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.218 2.395 -4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.749 2.616 -6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.154 1.904 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.170 0.202 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.059 -0.429 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.584 -1.279 -4.809 1.00 0.00 H new ATOM 407 N SER A 42 3.795 0.003 -9.641 1.00 0.00 N ATOM 408 CA SER A 42 4.845 0.387 -10.587 1.00 0.00 C ATOM 409 C SER A 42 4.840 1.871 -10.866 1.00 0.00 C ATOM 410 O SER A 42 4.038 2.285 -11.689 1.00 0.00 O ATOM 411 CB SER A 42 4.750 -0.378 -11.933 1.00 0.00 C ATOM 412 OG SER A 42 5.705 0.167 -12.863 1.00 0.00 O ATOM 0 H SER A 42 3.034 -0.550 -10.036 1.00 0.00 H new ATOM 0 HA SER A 42 5.781 0.115 -10.100 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.945 -1.439 -11.775 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.742 -0.296 -12.340 1.00 0.00 H new ATOM 0 HG SER A 42 5.647 -0.317 -13.713 1.00 0.00 H new ATOM 418 N VAL A 43 5.712 2.675 -10.196 1.00 0.00 N ATOM 419 CA VAL A 43 5.681 4.124 -10.387 1.00 0.00 C ATOM 420 C VAL A 43 7.046 4.749 -10.216 1.00 0.00 C ATOM 421 O VAL A 43 7.940 4.046 -9.774 1.00 0.00 O ATOM 422 CB VAL A 43 4.700 4.770 -9.367 1.00 0.00 C ATOM 423 CG1 VAL A 43 3.391 3.952 -9.232 1.00 0.00 C ATOM 424 CG2 VAL A 43 5.316 4.882 -7.951 1.00 0.00 C ATOM 0 H VAL A 43 6.419 2.342 -9.541 1.00 0.00 H new ATOM 0 HA VAL A 43 5.347 4.308 -11.408 1.00 0.00 H new ATOM 0 HB VAL A 43 4.490 5.764 -9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.732 4.436 -8.511 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.893 3.900 -10.200 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.626 2.944 -8.890 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.593 5.339 -7.275 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.575 3.888 -7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.214 5.498 -7.993 1.00 0.00 H new ATOM 434 N ALA A 44 7.195 6.057 -10.552 1.00 0.00 N ATOM 435 CA ALA A 44 8.448 6.770 -10.307 1.00 0.00 C ATOM 436 C ALA A 44 8.310 7.873 -9.276 1.00 0.00 C ATOM 437 O ALA A 44 9.305 8.550 -9.070 1.00 0.00 O ATOM 438 CB ALA A 44 8.965 7.345 -11.649 1.00 0.00 C ATOM 0 H ALA A 44 6.465 6.621 -10.987 1.00 0.00 H new ATOM 0 HA ALA A 44 9.163 6.058 -9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.900 7.880 -11.480 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.135 6.530 -12.353 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.224 8.031 -12.060 1.00 0.00 H new ATOM 444 N ASP A 45 7.157 8.097 -8.596 1.00 0.00 N ATOM 445 CA ASP A 45 7.128 9.047 -7.479 1.00 0.00 C ATOM 446 C ASP A 45 7.809 8.431 -6.268 1.00 0.00 C ATOM 447 O ASP A 45 7.175 8.311 -5.231 1.00 0.00 O ATOM 448 CB ASP A 45 5.676 9.486 -7.133 1.00 0.00 C ATOM 449 CG ASP A 45 4.945 10.133 -8.287 1.00 0.00 C ATOM 450 OD1 ASP A 45 5.346 9.903 -9.459 1.00 0.00 O ATOM 451 OD2 ASP A 45 3.955 10.877 -8.038 1.00 0.00 O ATOM 0 H ASP A 45 6.266 7.644 -8.800 1.00 0.00 H new ATOM 0 HA ASP A 45 7.670 9.944 -7.779 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.112 8.615 -6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.707 10.184 -6.297 1.00 0.00 H new ATOM 456 N VAL A 46 9.105 8.045 -6.385 1.00 0.00 N ATOM 457 CA VAL A 46 9.870 7.531 -5.245 1.00 0.00 C ATOM 458 C VAL A 46 10.628 8.664 -4.571 1.00 0.00 C ATOM 459 O VAL A 46 11.227 8.409 -3.537 1.00 0.00 O ATOM 460 CB VAL A 46 10.733 6.285 -5.643 1.00 0.00 C ATOM 461 CG1 VAL A 46 11.721 6.565 -6.811 1.00 0.00 C ATOM 462 CG2 VAL A 46 11.530 5.674 -4.454 1.00 0.00 C ATOM 0 H VAL A 46 9.631 8.084 -7.258 1.00 0.00 H new ATOM 0 HA VAL A 46 9.190 7.143 -4.486 1.00 0.00 H new ATOM 0 HB VAL A 46 9.990 5.560 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.286 5.660 -7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.162 6.871 -7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.409 7.360 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.104 4.816 -4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.209 6.424 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.836 5.354 -3.677 1.00 0.00 H new ATOM 472 N SER A 47 10.601 9.915 -5.108 1.00 0.00 N ATOM 473 CA SER A 47 11.277 11.057 -4.482 1.00 0.00 C ATOM 474 C SER A 47 11.318 10.964 -2.972 1.00 0.00 C ATOM 475 O SER A 47 12.389 11.094 -2.400 1.00 0.00 O ATOM 476 CB SER A 47 10.555 12.379 -4.863 1.00 0.00 C ATOM 477 OG SER A 47 11.112 13.476 -4.123 1.00 0.00 O ATOM 0 H SER A 47 10.114 10.145 -5.974 1.00 0.00 H new ATOM 0 HA SER A 47 12.302 11.044 -4.854 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.657 12.563 -5.933 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.489 12.293 -4.654 1.00 0.00 H new ATOM 0 HG SER A 47 10.652 14.305 -4.371 1.00 0.00 H new ATOM 483 N LYS A 48 10.157 10.737 -2.314 1.00 0.00 N ATOM 484 CA LYS A 48 10.131 10.596 -0.850 1.00 0.00 C ATOM 485 C LYS A 48 9.018 9.691 -0.361 1.00 0.00 C ATOM 486 O LYS A 48 8.571 9.845 0.764 1.00 0.00 O ATOM 487 CB LYS A 48 10.075 12.005 -0.190 1.00 0.00 C ATOM 488 CG LYS A 48 8.665 12.673 -0.141 1.00 0.00 C ATOM 489 CD LYS A 48 7.867 12.580 -1.468 1.00 0.00 C ATOM 490 CE LYS A 48 6.570 13.438 -1.477 1.00 0.00 C ATOM 491 NZ LYS A 48 5.661 13.143 -0.347 1.00 0.00 N ATOM 0 H LYS A 48 9.247 10.650 -2.767 1.00 0.00 H new ATOM 0 HA LYS A 48 11.053 10.101 -0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.454 11.924 0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.752 12.667 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.082 12.206 0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.783 13.723 0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.508 12.897 -2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.605 11.538 -1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.841 14.493 -1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.039 13.270 -2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.802 13.724 -0.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.401 12.136 -0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.140 13.362 0.550 1.00 0.00 H new ATOM 505 N VAL A 49 8.554 8.737 -1.199 1.00 0.00 N ATOM 506 CA VAL A 49 7.401 7.916 -0.835 1.00 0.00 C ATOM 507 C VAL A 49 7.644 7.191 0.468 1.00 0.00 C ATOM 508 O VAL A 49 8.796 6.920 0.769 1.00 0.00 O ATOM 509 CB VAL A 49 7.117 6.885 -1.966 1.00 0.00 C ATOM 510 CG1 VAL A 49 8.289 5.873 -2.102 1.00 0.00 C ATOM 511 CG2 VAL A 49 5.767 6.146 -1.777 1.00 0.00 C ATOM 0 H VAL A 49 8.958 8.527 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 49 6.538 8.569 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 49 7.037 7.452 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.066 5.163 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.207 6.410 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.416 5.335 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.621 5.440 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.777 5.607 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.953 6.871 -1.774 1.00 0.00 H new ATOM 521 N ASP A 50 6.579 6.868 1.241 1.00 0.00 N ATOM 522 CA ASP A 50 6.758 6.103 2.476 1.00 0.00 C ATOM 523 C ASP A 50 6.345 4.664 2.229 1.00 0.00 C ATOM 524 O ASP A 50 5.391 4.202 2.834 1.00 0.00 O ATOM 525 CB ASP A 50 5.941 6.801 3.598 1.00 0.00 C ATOM 526 CG ASP A 50 6.338 6.335 4.977 1.00 0.00 C ATOM 527 OD1 ASP A 50 6.686 5.134 5.136 1.00 0.00 O ATOM 528 OD2 ASP A 50 6.305 7.175 5.919 1.00 0.00 O ATOM 0 H ASP A 50 5.614 7.123 1.030 1.00 0.00 H new ATOM 0 HA ASP A 50 7.799 6.076 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.082 7.880 3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.879 6.607 3.444 1.00 0.00 H new ATOM 533 N GLN A 51 7.061 3.934 1.338 1.00 0.00 N ATOM 534 CA GLN A 51 6.741 2.525 1.093 1.00 0.00 C ATOM 535 C GLN A 51 7.136 1.746 2.320 1.00 0.00 C ATOM 536 O GLN A 51 6.363 0.907 2.747 1.00 0.00 O ATOM 537 CB GLN A 51 7.539 1.868 -0.066 1.00 0.00 C ATOM 538 CG GLN A 51 7.199 2.505 -1.438 1.00 0.00 C ATOM 539 CD GLN A 51 8.420 2.573 -2.325 1.00 0.00 C ATOM 540 OE1 GLN A 51 9.450 3.059 -1.885 1.00 0.00 O ATOM 541 NE2 GLN A 51 8.346 2.114 -3.588 1.00 0.00 N ATOM 0 H GLN A 51 7.844 4.296 0.794 1.00 0.00 H new ATOM 0 HA GLN A 51 5.681 2.502 0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.607 1.969 0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.320 0.801 -0.097 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.421 1.922 -1.930 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.799 3.508 -1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.475 1.712 -3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.161 2.168 -4.199 1.00 0.00 H new ATOM 550 N ALA A 52 8.343 2.018 2.874 1.00 0.00 N ATOM 551 CA ALA A 52 8.795 1.314 4.072 1.00 0.00 C ATOM 552 C ALA A 52 7.681 1.223 5.092 1.00 0.00 C ATOM 553 O ALA A 52 7.604 0.226 5.794 1.00 0.00 O ATOM 554 CB ALA A 52 10.016 2.046 4.691 1.00 0.00 C ATOM 0 H ALA A 52 9.001 2.708 2.510 1.00 0.00 H new ATOM 0 HA ALA A 52 9.088 0.304 3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.345 1.514 5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.829 2.076 3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.732 3.064 4.960 1.00 0.00 H new ATOM 560 N GLY A 53 6.799 2.247 5.176 1.00 0.00 N ATOM 561 CA GLY A 53 5.591 2.109 5.985 1.00 0.00 C ATOM 562 C GLY A 53 4.522 1.389 5.196 1.00 0.00 C ATOM 563 O GLY A 53 3.934 0.458 5.718 1.00 0.00 O ATOM 0 H GLY A 53 6.905 3.146 4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.815 1.557 6.898 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.231 3.092 6.288 1.00 0.00 H new ATOM 567 N LEU A 54 4.236 1.801 3.939 1.00 0.00 N ATOM 568 CA LEU A 54 3.073 1.264 3.219 1.00 0.00 C ATOM 569 C LEU A 54 3.170 -0.225 2.997 1.00 0.00 C ATOM 570 O LEU A 54 2.163 -0.824 2.667 1.00 0.00 O ATOM 571 CB LEU A 54 2.827 1.952 1.843 1.00 0.00 C ATOM 572 CG LEU A 54 1.322 2.070 1.426 1.00 0.00 C ATOM 573 CD1 LEU A 54 0.985 3.548 1.101 1.00 0.00 C ATOM 574 CD2 LEU A 54 0.914 1.110 0.268 1.00 0.00 C ATOM 0 H LEU A 54 4.783 2.487 3.418 1.00 0.00 H new ATOM 0 HA LEU A 54 2.229 1.482 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.261 2.951 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.360 1.394 1.073 1.00 0.00 H new ATOM 0 HG LEU A 54 0.724 1.745 2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.063 3.627 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.165 4.164 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.615 3.893 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.142 1.249 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.513 1.331 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.085 0.078 0.574 1.00 0.00 H new ATOM 586 N LYS A 55 4.357 -0.834 3.169 1.00 0.00 N ATOM 587 CA LYS A 55 4.527 -2.267 2.959 1.00 0.00 C ATOM 588 C LYS A 55 4.075 -3.122 4.113 1.00 0.00 C ATOM 589 O LYS A 55 3.409 -4.126 3.905 1.00 0.00 O ATOM 590 CB LYS A 55 6.000 -2.545 2.541 1.00 0.00 C ATOM 591 CG LYS A 55 7.201 -2.160 3.454 1.00 0.00 C ATOM 592 CD LYS A 55 7.453 -3.108 4.662 1.00 0.00 C ATOM 593 CE LYS A 55 8.884 -3.718 4.656 1.00 0.00 C ATOM 594 NZ LYS A 55 9.039 -4.763 3.617 1.00 0.00 N ATOM 0 H LYS A 55 5.208 -0.348 3.453 1.00 0.00 H new ATOM 0 HA LYS A 55 3.860 -2.565 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.077 -3.616 2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.157 -2.043 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.104 -2.129 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.038 -1.151 3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.301 -2.556 5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.719 -3.913 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.614 -2.927 4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.100 -4.146 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.007 -5.143 3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.360 -5.531 3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.859 -4.350 2.680 1.00 0.00 H new ATOM 608 N LYS A 56 4.467 -2.701 5.329 1.00 0.00 N ATOM 609 CA LYS A 56 4.091 -3.419 6.549 1.00 0.00 C ATOM 610 C LYS A 56 2.768 -2.911 7.082 1.00 0.00 C ATOM 611 O LYS A 56 2.005 -3.699 7.618 1.00 0.00 O ATOM 612 CB LYS A 56 5.209 -3.325 7.627 1.00 0.00 C ATOM 613 CG LYS A 56 5.556 -1.876 8.077 1.00 0.00 C ATOM 614 CD LYS A 56 6.839 -1.814 8.950 1.00 0.00 C ATOM 615 CE LYS A 56 6.633 -2.402 10.376 1.00 0.00 C ATOM 616 NZ LYS A 56 7.199 -1.495 11.402 1.00 0.00 N ATOM 0 H LYS A 56 5.040 -1.872 5.487 1.00 0.00 H new ATOM 0 HA LYS A 56 3.970 -4.473 6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.902 -3.899 8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.111 -3.796 7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.689 -1.248 7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.718 -1.463 8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.639 -2.360 8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.165 -0.777 9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.570 -2.552 10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.110 -3.380 10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.052 -1.905 12.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.218 -1.372 11.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.725 -0.571 11.348 1.00 0.00 H new ATOM 630 N LEU A 57 2.490 -1.595 6.949 1.00 0.00 N ATOM 631 CA LEU A 57 1.240 -1.004 7.437 1.00 0.00 C ATOM 632 C LEU A 57 0.176 -1.067 6.368 1.00 0.00 C ATOM 633 O LEU A 57 -0.955 -1.399 6.682 1.00 0.00 O ATOM 634 CB LEU A 57 1.532 0.469 7.849 1.00 0.00 C ATOM 635 CG LEU A 57 0.330 1.344 8.311 1.00 0.00 C ATOM 636 CD1 LEU A 57 -0.561 1.839 7.133 1.00 0.00 C ATOM 637 CD2 LEU A 57 -0.507 0.642 9.412 1.00 0.00 C ATOM 0 H LEU A 57 3.121 -0.927 6.506 1.00 0.00 H new ATOM 0 HA LEU A 57 0.868 -1.560 8.298 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.264 0.452 8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.003 0.967 7.002 1.00 0.00 H new ATOM 0 HG LEU A 57 0.767 2.240 8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.380 2.443 7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.039 2.441 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.967 0.980 6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.335 1.287 9.706 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.899 -0.299 9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.124 0.445 10.279 1.00 0.00 H new ATOM 649 N GLY A 58 0.503 -0.727 5.102 1.00 0.00 N ATOM 650 CA GLY A 58 -0.512 -0.709 4.054 1.00 0.00 C ATOM 651 C GLY A 58 -0.734 -2.104 3.541 1.00 0.00 C ATOM 652 O GLY A 58 -1.867 -2.558 3.569 1.00 0.00 O ATOM 0 H GLY A 58 1.441 -0.469 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.445 -0.302 4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.196 -0.057 3.239 1.00 0.00 H new ATOM 656 N ALA A 59 0.342 -2.779 3.067 1.00 0.00 N ATOM 657 CA ALA A 59 0.222 -4.142 2.560 1.00 0.00 C ATOM 658 C ALA A 59 0.817 -5.058 3.612 1.00 0.00 C ATOM 659 O ALA A 59 0.784 -4.679 4.772 1.00 0.00 O ATOM 660 CB ALA A 59 0.905 -4.208 1.164 1.00 0.00 C ATOM 0 H ALA A 59 1.286 -2.396 3.031 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.806 -4.466 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.826 -5.220 0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.412 -3.513 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.956 -3.937 1.260 1.00 0.00 H new ATOM 666 N ALA A 60 1.372 -6.243 3.253 1.00 0.00 N ATOM 667 CA ALA A 60 2.052 -7.095 4.233 1.00 0.00 C ATOM 668 C ALA A 60 3.313 -7.670 3.624 1.00 0.00 C ATOM 669 O ALA A 60 3.606 -8.834 3.845 1.00 0.00 O ATOM 670 CB ALA A 60 1.133 -8.247 4.721 1.00 0.00 C ATOM 0 H ALA A 60 1.358 -6.617 2.304 1.00 0.00 H new ATOM 0 HA ALA A 60 2.306 -6.479 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.670 -8.858 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.242 -7.828 5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.841 -8.864 3.871 1.00 0.00 H new ATOM 676 N GLY A 61 4.073 -6.865 2.845 1.00 0.00 N ATOM 677 CA GLY A 61 5.277 -7.374 2.191 1.00 0.00 C ATOM 678 C GLY A 61 5.323 -6.858 0.774 1.00 0.00 C ATOM 679 O GLY A 61 4.528 -7.333 -0.020 1.00 0.00 O ATOM 0 H GLY A 61 3.871 -5.882 2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.165 -7.055 2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.275 -8.464 2.195 1.00 0.00 H new ATOM 683 N VAL A 62 6.226 -5.904 0.441 1.00 0.00 N ATOM 684 CA VAL A 62 6.310 -5.378 -0.923 1.00 0.00 C ATOM 685 C VAL A 62 7.743 -5.522 -1.352 1.00 0.00 C ATOM 686 O VAL A 62 8.568 -5.870 -0.522 1.00 0.00 O ATOM 687 CB VAL A 62 5.814 -3.898 -1.040 1.00 0.00 C ATOM 688 CG1 VAL A 62 4.530 -3.660 -0.199 1.00 0.00 C ATOM 689 CG2 VAL A 62 6.958 -2.882 -0.751 1.00 0.00 C ATOM 0 H VAL A 62 6.893 -5.495 1.095 1.00 0.00 H new ATOM 0 HA VAL A 62 5.645 -5.941 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 62 5.524 -3.718 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.214 -2.622 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.736 -4.318 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.738 -3.872 0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.574 -1.866 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.336 -3.038 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.766 -3.030 -1.468 1.00 0.00 H new ATOM 699 N VAL A 63 8.046 -5.260 -2.640 1.00 0.00 N ATOM 700 CA VAL A 63 9.422 -5.373 -3.114 1.00 0.00 C ATOM 701 C VAL A 63 9.626 -4.209 -4.053 1.00 0.00 C ATOM 702 O VAL A 63 8.733 -3.988 -4.853 1.00 0.00 O ATOM 703 CB VAL A 63 9.721 -6.772 -3.749 1.00 0.00 C ATOM 704 CG1 VAL A 63 8.542 -7.767 -3.537 1.00 0.00 C ATOM 705 CG2 VAL A 63 10.093 -6.688 -5.254 1.00 0.00 C ATOM 0 H VAL A 63 7.369 -4.976 -3.348 1.00 0.00 H new ATOM 0 HA VAL A 63 10.140 -5.320 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 63 10.595 -7.153 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.789 -8.726 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.370 -7.906 -2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.640 -7.367 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.289 -7.690 -5.637 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.267 -6.243 -5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.985 -6.073 -5.375 1.00 0.00 H new ATOM 715 N VAL A 64 10.751 -3.460 -3.963 1.00 0.00 N ATOM 716 CA VAL A 64 10.937 -2.282 -4.803 1.00 0.00 C ATOM 717 C VAL A 64 11.966 -2.662 -5.843 1.00 0.00 C ATOM 718 O VAL A 64 13.015 -3.145 -5.447 1.00 0.00 O ATOM 719 CB VAL A 64 11.383 -1.072 -3.932 1.00 0.00 C ATOM 720 CG1 VAL A 64 11.524 0.212 -4.792 1.00 0.00 C ATOM 721 CG2 VAL A 64 10.378 -0.823 -2.772 1.00 0.00 C ATOM 0 H VAL A 64 11.523 -3.656 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 64 10.015 -1.973 -5.295 1.00 0.00 H new ATOM 0 HB VAL A 64 12.357 -1.315 -3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.837 1.042 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.270 0.049 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.565 0.449 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.712 0.028 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.391 -0.613 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.326 -1.709 -2.140 1.00 0.00 H new ATOM 731 N ALA A 65 11.688 -2.475 -7.156 1.00 0.00 N ATOM 732 CA ALA A 65 12.624 -2.902 -8.198 1.00 0.00 C ATOM 733 C ALA A 65 12.665 -1.826 -9.258 1.00 0.00 C ATOM 734 O ALA A 65 11.852 -1.913 -10.164 1.00 0.00 O ATOM 735 CB ALA A 65 12.116 -4.247 -8.782 1.00 0.00 C ATOM 0 H ALA A 65 10.835 -2.038 -7.504 1.00 0.00 H new ATOM 0 HA ALA A 65 13.630 -3.049 -7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.798 -4.586 -9.562 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.071 -4.994 -7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.122 -4.107 -9.206 1.00 0.00 H new ATOM 741 N GLY A 66 13.576 -0.823 -9.161 1.00 0.00 N ATOM 742 CA GLY A 66 13.606 0.281 -10.125 1.00 0.00 C ATOM 743 C GLY A 66 13.097 -0.145 -11.486 1.00 0.00 C ATOM 744 O GLY A 66 13.770 -0.975 -12.075 1.00 0.00 O ATOM 0 H GLY A 66 14.286 -0.766 -8.431 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.999 1.106 -9.752 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.626 0.654 -10.219 1.00 0.00 H new ATOM 748 N SER A 67 11.926 0.373 -11.944 1.00 0.00 N ATOM 749 CA SER A 67 11.206 -0.161 -13.107 1.00 0.00 C ATOM 750 C SER A 67 9.845 -0.675 -12.669 1.00 0.00 C ATOM 751 O SER A 67 8.950 -0.737 -13.498 1.00 0.00 O ATOM 752 CB SER A 67 11.880 -1.286 -13.939 1.00 0.00 C ATOM 753 OG SER A 67 11.037 -1.622 -15.056 1.00 0.00 O ATOM 0 H SER A 67 11.464 1.172 -11.510 1.00 0.00 H new ATOM 0 HA SER A 67 11.171 0.698 -13.777 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.857 -0.957 -14.292 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.046 -2.165 -13.316 1.00 0.00 H new ATOM 0 HG SER A 67 10.103 -1.432 -14.830 1.00 0.00 H new ATOM 759 N GLY A 68 9.654 -1.053 -11.383 1.00 0.00 N ATOM 760 CA GLY A 68 8.357 -1.543 -10.940 1.00 0.00 C ATOM 761 C GLY A 68 8.378 -1.861 -9.460 1.00 0.00 C ATOM 762 O GLY A 68 9.465 -1.987 -8.920 1.00 0.00 O ATOM 0 H GLY A 68 10.373 -1.024 -10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.591 -0.795 -11.145 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.089 -2.436 -11.504 1.00 0.00 H new ATOM 766 N VAL A 69 7.208 -1.999 -8.798 1.00 0.00 N ATOM 767 CA VAL A 69 7.179 -2.306 -7.366 1.00 0.00 C ATOM 768 C VAL A 69 6.083 -3.319 -7.172 1.00 0.00 C ATOM 769 O VAL A 69 5.030 -3.102 -7.745 1.00 0.00 O ATOM 770 CB VAL A 69 6.871 -1.047 -6.512 1.00 0.00 C ATOM 771 CG1 VAL A 69 6.839 -1.360 -4.989 1.00 0.00 C ATOM 772 CG2 VAL A 69 7.869 0.087 -6.863 1.00 0.00 C ATOM 0 H VAL A 69 6.289 -1.903 -9.231 1.00 0.00 H new ATOM 0 HA VAL A 69 8.152 -2.679 -7.046 1.00 0.00 H new ATOM 0 HB VAL A 69 5.867 -0.703 -6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.620 -0.448 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.067 -2.102 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.808 -1.750 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.647 0.967 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.886 -0.247 -6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.777 0.339 -7.920 1.00 0.00 H new ATOM 782 N GLN A 70 6.284 -4.404 -6.392 1.00 0.00 N ATOM 783 CA GLN A 70 5.223 -5.395 -6.195 1.00 0.00 C ATOM 784 C GLN A 70 4.730 -5.241 -4.776 1.00 0.00 C ATOM 785 O GLN A 70 5.564 -4.805 -4.007 1.00 0.00 O ATOM 786 CB GLN A 70 5.784 -6.810 -6.507 1.00 0.00 C ATOM 787 CG GLN A 70 4.989 -7.930 -5.798 1.00 0.00 C ATOM 788 CD GLN A 70 5.529 -9.298 -6.151 1.00 0.00 C ATOM 789 OE1 GLN A 70 5.297 -9.738 -7.266 1.00 0.00 O ATOM 790 NE2 GLN A 70 6.244 -10.002 -5.242 1.00 0.00 N ATOM 0 H GLN A 70 7.155 -4.607 -5.901 1.00 0.00 H new ATOM 0 HA GLN A 70 4.378 -5.248 -6.868 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.760 -6.978 -7.584 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.829 -6.859 -6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.037 -7.785 -4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.938 -7.868 -6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.422 -9.609 -4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.605 -10.926 -5.481 1.00 0.00 H new ATOM 799 N ALA A 71 3.458 -5.566 -4.409 1.00 0.00 N ATOM 800 CA ALA A 71 2.956 -5.348 -3.057 1.00 0.00 C ATOM 801 C ALA A 71 2.049 -6.465 -2.604 1.00 0.00 C ATOM 802 O ALA A 71 1.116 -6.758 -3.330 1.00 0.00 O ATOM 803 CB ALA A 71 2.214 -3.992 -2.960 1.00 0.00 C ATOM 0 H ALA A 71 2.776 -5.979 -5.045 1.00 0.00 H new ATOM 0 HA ALA A 71 3.821 -5.331 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.848 -3.850 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.899 -3.183 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.372 -3.987 -3.653 1.00 0.00 H new ATOM 809 N ILE A 72 2.271 -7.124 -1.443 1.00 0.00 N ATOM 810 CA ILE A 72 1.535 -8.349 -1.131 1.00 0.00 C ATOM 811 C ILE A 72 0.872 -8.206 0.225 1.00 0.00 C ATOM 812 O ILE A 72 1.589 -7.913 1.166 1.00 0.00 O ATOM 813 CB ILE A 72 2.428 -9.618 -1.372 1.00 0.00 C ATOM 814 CG1 ILE A 72 2.201 -10.269 -2.779 1.00 0.00 C ATOM 815 CG2 ILE A 72 2.214 -10.722 -0.307 1.00 0.00 C ATOM 816 CD1 ILE A 72 2.995 -9.555 -3.895 1.00 0.00 C ATOM 0 H ILE A 72 2.938 -6.830 -0.730 1.00 0.00 H new ATOM 0 HA ILE A 72 0.706 -8.511 -1.820 1.00 0.00 H new ATOM 0 HB ILE A 72 3.446 -9.235 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.495 -11.318 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.138 -10.244 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.859 -11.572 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.459 -10.328 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.173 -11.044 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.802 -10.045 -4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.683 -8.512 -3.953 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.061 -9.603 -3.671 1.00 0.00 H new ATOM 828 N PHE A 73 -0.469 -8.410 0.346 1.00 0.00 N ATOM 829 CA PHE A 73 -1.151 -8.327 1.640 1.00 0.00 C ATOM 830 C PHE A 73 -1.674 -9.716 1.888 1.00 0.00 C ATOM 831 O PHE A 73 -2.843 -9.889 2.188 1.00 0.00 O ATOM 832 CB PHE A 73 -2.183 -7.175 1.751 1.00 0.00 C ATOM 833 CG PHE A 73 -3.257 -7.046 0.658 1.00 0.00 C ATOM 834 CD1 PHE A 73 -2.890 -6.767 -0.664 1.00 0.00 C ATOM 835 CD2 PHE A 73 -4.620 -7.151 0.967 1.00 0.00 C ATOM 836 CE1 PHE A 73 -3.854 -6.715 -1.675 1.00 0.00 C ATOM 837 CE2 PHE A 73 -5.590 -7.075 -0.040 1.00 0.00 C ATOM 838 CZ PHE A 73 -5.209 -6.847 -1.366 1.00 0.00 C ATOM 0 H PHE A 73 -1.083 -8.631 -0.438 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.473 -8.034 2.441 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.694 -7.279 2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.630 -6.236 1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.852 -6.590 -0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.926 -7.292 1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.549 -6.572 -2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.635 -7.193 0.208 1.00 0.00 H new ATOM 0 HZ PHE A 73 -5.955 -6.774 -2.143 1.00 0.00 H new ATOM 848 N GLY A 74 -0.752 -10.695 1.730 1.00 0.00 N ATOM 849 CA GLY A 74 -1.055 -12.106 1.910 1.00 0.00 C ATOM 850 C GLY A 74 -0.539 -12.460 3.278 1.00 0.00 C ATOM 851 O GLY A 74 0.215 -11.667 3.820 1.00 0.00 O ATOM 0 H GLY A 74 0.218 -10.513 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.127 -12.289 1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.574 -12.711 1.141 1.00 0.00 H new ATOM 855 N THR A 75 -0.928 -13.626 3.843 1.00 0.00 N ATOM 856 CA THR A 75 -0.444 -14.028 5.167 1.00 0.00 C ATOM 857 C THR A 75 -1.279 -13.357 6.241 1.00 0.00 C ATOM 858 O THR A 75 -1.639 -14.029 7.196 1.00 0.00 O ATOM 859 CB THR A 75 1.091 -13.819 5.341 1.00 0.00 C ATOM 860 OG1 THR A 75 1.765 -14.076 4.096 1.00 0.00 O ATOM 861 CG2 THR A 75 1.694 -14.721 6.450 1.00 0.00 C ATOM 0 H THR A 75 -1.566 -14.290 3.404 1.00 0.00 H new ATOM 0 HA THR A 75 -0.576 -15.105 5.273 1.00 0.00 H new ATOM 0 HB THR A 75 1.239 -12.783 5.645 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.729 -13.941 4.212 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.765 -14.534 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.216 -14.495 7.403 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.526 -15.768 6.199 1.00 0.00 H new ATOM 869 N LYS A 76 -1.624 -12.050 6.116 1.00 0.00 N ATOM 870 CA LYS A 76 -2.535 -11.444 7.083 1.00 0.00 C ATOM 871 C LYS A 76 -3.363 -10.355 6.426 1.00 0.00 C ATOM 872 O LYS A 76 -3.369 -9.227 6.889 1.00 0.00 O ATOM 873 CB LYS A 76 -1.706 -11.016 8.325 1.00 0.00 C ATOM 874 CG LYS A 76 -0.677 -9.870 8.065 1.00 0.00 C ATOM 875 CD LYS A 76 0.818 -10.312 8.134 1.00 0.00 C ATOM 876 CE LYS A 76 1.766 -9.136 8.520 1.00 0.00 C ATOM 877 NZ LYS A 76 1.750 -8.846 9.977 1.00 0.00 N ATOM 0 H LYS A 76 -1.293 -11.427 5.380 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.283 -12.150 7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.392 -10.697 9.110 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.170 -11.886 8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.871 -9.442 7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.842 -9.078 8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.924 -11.115 8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.120 -10.717 7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.783 -9.378 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.471 -8.241 7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.396 -8.057 10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.786 -8.588 10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.057 -9.689 10.502 1.00 0.00 H new ATOM 891 N SER A 77 -4.078 -10.696 5.325 1.00 0.00 N ATOM 892 CA SER A 77 -4.847 -9.688 4.596 1.00 0.00 C ATOM 893 C SER A 77 -5.941 -9.174 5.500 1.00 0.00 C ATOM 894 O SER A 77 -6.045 -7.978 5.713 1.00 0.00 O ATOM 895 CB SER A 77 -5.521 -10.253 3.304 1.00 0.00 C ATOM 896 OG SER A 77 -4.868 -11.442 2.853 1.00 0.00 O ATOM 0 H SER A 77 -4.131 -11.639 4.940 1.00 0.00 H new ATOM 0 HA SER A 77 -4.151 -8.904 4.297 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.571 -10.466 3.503 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.492 -9.499 2.517 1.00 0.00 H new ATOM 0 HG SER A 77 -4.033 -11.204 2.398 1.00 0.00 H new ATOM 902 N ASP A 78 -6.777 -10.092 6.034 1.00 0.00 N ATOM 903 CA ASP A 78 -7.899 -9.661 6.862 1.00 0.00 C ATOM 904 C ASP A 78 -7.409 -8.788 7.995 1.00 0.00 C ATOM 905 O ASP A 78 -8.054 -7.794 8.289 1.00 0.00 O ATOM 906 CB ASP A 78 -8.663 -10.883 7.435 1.00 0.00 C ATOM 907 CG ASP A 78 -9.332 -11.649 6.318 1.00 0.00 C ATOM 908 OD1 ASP A 78 -10.270 -11.085 5.690 1.00 0.00 O ATOM 909 OD2 ASP A 78 -8.927 -12.815 6.054 1.00 0.00 O ATOM 0 H ASP A 78 -6.693 -11.101 5.907 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.581 -9.086 6.235 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.973 -11.535 7.970 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.410 -10.549 8.155 1.00 0.00 H new ATOM 914 N ASN A 79 -6.270 -9.136 8.637 1.00 0.00 N ATOM 915 CA ASN A 79 -5.763 -8.290 9.717 1.00 0.00 C ATOM 916 C ASN A 79 -5.450 -6.911 9.185 1.00 0.00 C ATOM 917 O ASN A 79 -5.798 -5.932 9.828 1.00 0.00 O ATOM 918 CB ASN A 79 -4.443 -8.838 10.315 1.00 0.00 C ATOM 919 CG ASN A 79 -3.945 -8.010 11.477 1.00 0.00 C ATOM 920 OD1 ASN A 79 -4.750 -7.410 12.174 1.00 0.00 O ATOM 921 ND2 ASN A 79 -2.615 -7.965 11.715 1.00 0.00 N ATOM 0 H ASN A 79 -5.711 -9.964 8.431 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.538 -8.269 10.483 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.597 -9.865 10.645 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.679 -8.864 9.538 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.255 -7.418 12.497 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.971 -8.478 11.113 1.00 0.00 H new ATOM 928 N LEU A 80 -4.787 -6.830 8.009 1.00 0.00 N ATOM 929 CA LEU A 80 -4.470 -5.526 7.440 1.00 0.00 C ATOM 930 C LEU A 80 -5.801 -4.900 7.106 1.00 0.00 C ATOM 931 O LEU A 80 -6.181 -3.938 7.750 1.00 0.00 O ATOM 932 CB LEU A 80 -3.470 -5.601 6.251 1.00 0.00 C ATOM 933 CG LEU A 80 -1.969 -5.627 6.687 1.00 0.00 C ATOM 934 CD1 LEU A 80 -1.407 -4.187 6.820 1.00 0.00 C ATOM 935 CD2 LEU A 80 -1.692 -6.401 8.007 1.00 0.00 C ATOM 0 H LEU A 80 -4.475 -7.631 7.460 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.927 -4.899 8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.684 -6.495 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.633 -4.745 5.597 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.459 -6.170 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.361 -4.231 7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.484 -3.676 5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.980 -3.641 7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.626 -6.367 8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.250 -5.941 8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.006 -7.439 7.893 1.00 0.00 H new ATOM 947 N LYS A 81 -6.542 -5.448 6.121 1.00 0.00 N ATOM 948 CA LYS A 81 -7.827 -4.862 5.741 1.00 0.00 C ATOM 949 C LYS A 81 -8.670 -4.444 6.931 1.00 0.00 C ATOM 950 O LYS A 81 -9.396 -3.472 6.804 1.00 0.00 O ATOM 951 CB LYS A 81 -8.636 -5.779 4.774 1.00 0.00 C ATOM 952 CG LYS A 81 -9.313 -5.016 3.599 1.00 0.00 C ATOM 953 CD LYS A 81 -8.353 -4.172 2.697 1.00 0.00 C ATOM 954 CE LYS A 81 -6.972 -4.836 2.433 1.00 0.00 C ATOM 955 NZ LYS A 81 -6.186 -4.097 1.414 1.00 0.00 N ATOM 0 H LYS A 81 -6.274 -6.276 5.590 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.576 -3.950 5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.968 -6.537 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.403 -6.303 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.830 -5.740 2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.073 -4.352 4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.842 -3.986 1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.192 -3.202 3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.407 -4.881 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.121 -5.863 2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.741 -4.773 0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.816 -3.465 0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.449 -3.535 1.885 1.00 0.00 H new ATOM 969 N THR A 82 -8.586 -5.138 8.092 1.00 0.00 N ATOM 970 CA THR A 82 -9.301 -4.683 9.286 1.00 0.00 C ATOM 971 C THR A 82 -8.746 -3.343 9.726 1.00 0.00 C ATOM 972 O THR A 82 -9.441 -2.345 9.615 1.00 0.00 O ATOM 973 CB THR A 82 -9.264 -5.743 10.426 1.00 0.00 C ATOM 974 OG1 THR A 82 -10.119 -6.827 10.023 1.00 0.00 O ATOM 975 CG2 THR A 82 -9.728 -5.156 11.787 1.00 0.00 C ATOM 0 H THR A 82 -8.042 -5.992 8.216 1.00 0.00 H new ATOM 0 HA THR A 82 -10.355 -4.554 9.038 1.00 0.00 H new ATOM 0 HB THR A 82 -8.240 -6.084 10.578 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.651 -7.388 9.370 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.685 -5.932 12.551 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.073 -4.332 12.070 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.751 -4.792 11.696 1.00 0.00 H new ATOM 983 N GLU A 83 -7.496 -3.288 10.239 1.00 0.00 N ATOM 984 CA GLU A 83 -6.946 -2.007 10.683 1.00 0.00 C ATOM 985 C GLU A 83 -7.044 -0.971 9.579 1.00 0.00 C ATOM 986 O GLU A 83 -7.279 0.189 9.880 1.00 0.00 O ATOM 987 CB GLU A 83 -5.499 -2.135 11.239 1.00 0.00 C ATOM 988 CG GLU A 83 -4.478 -2.593 10.163 1.00 0.00 C ATOM 989 CD GLU A 83 -3.110 -2.905 10.715 1.00 0.00 C ATOM 990 OE1 GLU A 83 -3.035 -3.581 11.777 1.00 0.00 O ATOM 991 OE2 GLU A 83 -2.098 -2.491 10.086 1.00 0.00 O ATOM 0 H GLU A 83 -6.875 -4.090 10.350 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.555 -1.665 11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.185 -1.174 11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.494 -2.847 12.064 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.867 -3.478 9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.385 -1.812 9.408 1.00 0.00 H new ATOM 998 N MET A 84 -6.897 -1.355 8.289 1.00 0.00 N ATOM 999 CA MET A 84 -7.066 -0.376 7.223 1.00 0.00 C ATOM 1000 C MET A 84 -8.488 0.129 7.244 1.00 0.00 C ATOM 1001 O MET A 84 -8.677 1.332 7.165 1.00 0.00 O ATOM 1002 CB MET A 84 -6.710 -0.872 5.795 1.00 0.00 C ATOM 1003 CG MET A 84 -5.269 -1.443 5.721 1.00 0.00 C ATOM 1004 SD MET A 84 -4.684 -1.507 3.998 1.00 0.00 S ATOM 1005 CE MET A 84 -4.208 0.233 3.757 1.00 0.00 C ATOM 0 H MET A 84 -6.671 -2.301 7.982 1.00 0.00 H new ATOM 0 HA MET A 84 -6.346 0.415 7.433 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.421 -1.640 5.490 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.810 -0.047 5.089 1.00 0.00 H new ATOM 0 HG2 MET A 84 -4.597 -0.823 6.315 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.247 -2.443 6.154 1.00 0.00 H new ATOM 0 HE1 MET A 84 -3.619 0.326 2.844 1.00 0.00 H new ATOM 0 HE2 MET A 84 -5.105 0.847 3.675 1.00 0.00 H new ATOM 0 HE3 MET A 84 -3.615 0.569 4.607 1.00 0.00 H new ATOM 1015 N ASP A 85 -9.489 -0.776 7.361 1.00 0.00 N ATOM 1016 CA ASP A 85 -10.884 -0.341 7.387 1.00 0.00 C ATOM 1017 C ASP A 85 -11.029 0.799 8.372 1.00 0.00 C ATOM 1018 O ASP A 85 -11.631 1.806 8.030 1.00 0.00 O ATOM 1019 CB ASP A 85 -11.881 -1.481 7.741 1.00 0.00 C ATOM 1020 CG ASP A 85 -13.322 -1.070 7.550 1.00 0.00 C ATOM 1021 OD1 ASP A 85 -13.592 -0.230 6.649 1.00 0.00 O ATOM 1022 OD2 ASP A 85 -14.199 -1.587 8.296 1.00 0.00 O ATOM 0 H ASP A 85 -9.351 -1.784 7.436 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.139 -0.016 6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.669 -2.351 7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.728 -1.785 8.776 1.00 0.00 H new ATOM 1027 N GLU A 86 -10.460 0.659 9.596 1.00 0.00 N ATOM 1028 CA GLU A 86 -10.526 1.758 10.557 1.00 0.00 C ATOM 1029 C GLU A 86 -9.865 2.995 9.999 1.00 0.00 C ATOM 1030 O GLU A 86 -10.410 4.069 10.190 1.00 0.00 O ATOM 1031 CB GLU A 86 -9.840 1.465 11.924 1.00 0.00 C ATOM 1032 CG GLU A 86 -10.726 0.588 12.844 1.00 0.00 C ATOM 1033 CD GLU A 86 -10.058 0.438 14.189 1.00 0.00 C ATOM 1034 OE1 GLU A 86 -10.159 1.390 15.012 1.00 0.00 O ATOM 1035 OE2 GLU A 86 -9.424 -0.624 14.430 1.00 0.00 O ATOM 0 H GLU A 86 -9.971 -0.175 9.921 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.593 1.897 10.730 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.888 0.962 11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.617 2.406 12.426 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.709 1.044 12.963 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.881 -0.391 12.392 1.00 0.00 H new ATOM 1042 N TYR A 87 -8.691 2.883 9.339 1.00 0.00 N ATOM 1043 CA TYR A 87 -7.996 4.091 8.895 1.00 0.00 C ATOM 1044 C TYR A 87 -8.905 4.925 8.013 1.00 0.00 C ATOM 1045 O TYR A 87 -9.037 6.114 8.254 1.00 0.00 O ATOM 1046 CB TYR A 87 -6.672 3.783 8.139 1.00 0.00 C ATOM 1047 CG TYR A 87 -5.707 2.816 8.849 1.00 0.00 C ATOM 1048 CD1 TYR A 87 -5.765 2.554 10.221 1.00 0.00 C ATOM 1049 CD2 TYR A 87 -4.735 2.165 8.075 1.00 0.00 C ATOM 1050 CE1 TYR A 87 -4.906 1.614 10.804 1.00 0.00 C ATOM 1051 CE2 TYR A 87 -3.938 1.163 8.641 1.00 0.00 C ATOM 1052 CZ TYR A 87 -3.988 0.913 10.014 1.00 0.00 C ATOM 1053 OH TYR A 87 -3.123 -0.025 10.586 1.00 0.00 O ATOM 0 H TYR A 87 -8.227 2.003 9.113 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.733 4.649 9.794 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.921 3.367 7.163 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.150 4.723 7.961 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.479 3.081 10.837 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.601 2.438 7.039 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.952 1.429 11.867 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.281 0.580 8.012 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.765 -0.609 9.886 1.00 0.00 H new ATOM 1063 N ILE A 88 -9.553 4.328 6.986 1.00 0.00 N ATOM 1064 CA ILE A 88 -10.394 5.135 6.098 1.00 0.00 C ATOM 1065 C ILE A 88 -11.554 5.686 6.904 1.00 0.00 C ATOM 1066 O ILE A 88 -11.891 6.848 6.743 1.00 0.00 O ATOM 1067 CB ILE A 88 -10.927 4.371 4.844 1.00 0.00 C ATOM 1068 CG1 ILE A 88 -9.798 3.563 4.120 1.00 0.00 C ATOM 1069 CG2 ILE A 88 -11.594 5.368 3.853 1.00 0.00 C ATOM 1070 CD1 ILE A 88 -10.004 2.030 4.252 1.00 0.00 C ATOM 0 H ILE A 88 -9.509 3.333 6.764 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.766 5.933 5.703 1.00 0.00 H new ATOM 0 HB ILE A 88 -11.669 3.652 5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.776 3.836 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.830 3.836 4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -11.962 4.825 2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.427 5.869 4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -10.861 6.110 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.198 1.509 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -9.999 1.752 5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.960 1.752 3.808 1.00 0.00 H new ATOM 1082 N ARG A 89 -12.171 4.869 7.789 1.00 0.00 N ATOM 1083 CA ARG A 89 -13.272 5.372 8.619 1.00 0.00 C ATOM 1084 C ARG A 89 -12.792 6.450 9.575 1.00 0.00 C ATOM 1085 O ARG A 89 -13.569 7.323 9.932 1.00 0.00 O ATOM 1086 CB ARG A 89 -13.952 4.194 9.378 1.00 0.00 C ATOM 1087 CG ARG A 89 -14.704 3.271 8.373 1.00 0.00 C ATOM 1088 CD ARG A 89 -15.156 1.908 8.973 1.00 0.00 C ATOM 1089 NE ARG A 89 -16.494 1.522 8.500 1.00 0.00 N ATOM 1090 CZ ARG A 89 -16.792 1.219 7.252 1.00 0.00 C ATOM 1091 NH1 ARG A 89 -15.898 1.155 6.294 1.00 0.00 N ATOM 1092 NH2 ARG A 89 -18.048 0.970 6.950 1.00 0.00 N ATOM 0 H ARG A 89 -11.930 3.889 7.939 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.016 5.832 7.968 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -13.201 3.619 9.920 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -14.651 4.584 10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -15.581 3.799 7.999 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -14.057 3.081 7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -14.437 1.135 8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -15.159 1.973 10.061 1.00 0.00 H new ATOM 0 HE ARG A 89 -17.246 1.486 9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.917 1.345 6.499 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -16.184 0.916 5.345 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -18.765 1.014 7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -18.305 0.733 5.992 1.00 0.00 H new ATOM 1106 N ASN A 90 -11.504 6.410 9.988 1.00 0.00 N ATOM 1107 CA ASN A 90 -10.932 7.462 10.831 1.00 0.00 C ATOM 1108 C ASN A 90 -10.660 8.721 10.028 1.00 0.00 C ATOM 1109 O ASN A 90 -10.554 9.774 10.637 1.00 0.00 O ATOM 1110 CB ASN A 90 -9.613 6.942 11.475 1.00 0.00 C ATOM 1111 CG ASN A 90 -8.917 7.919 12.397 1.00 0.00 C ATOM 1112 OD1 ASN A 90 -9.566 8.779 12.971 1.00 0.00 O ATOM 1113 ND2 ASN A 90 -7.579 7.794 12.560 1.00 0.00 N ATOM 0 H ASN A 90 -10.853 5.662 9.748 1.00 0.00 H new ATOM 0 HA ASN A 90 -11.650 7.714 11.612 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -9.835 6.034 12.035 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.923 6.665 10.678 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.079 8.431 13.180 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.071 7.062 12.063 1.00 0.00 H new ATOM 1120 N PHE A 91 -10.542 8.637 8.678 1.00 0.00 N ATOM 1121 CA PHE A 91 -10.195 9.806 7.856 1.00 0.00 C ATOM 1122 C PHE A 91 -11.180 9.993 6.718 1.00 0.00 C ATOM 1123 O PHE A 91 -10.809 10.598 5.723 1.00 0.00 O ATOM 1124 CB PHE A 91 -8.756 9.566 7.305 1.00 0.00 C ATOM 1125 CG PHE A 91 -7.706 10.641 7.638 1.00 0.00 C ATOM 1126 CD1 PHE A 91 -7.551 11.096 8.954 1.00 0.00 C ATOM 1127 CD2 PHE A 91 -6.867 11.152 6.638 1.00 0.00 C ATOM 1128 CE1 PHE A 91 -6.589 12.064 9.262 1.00 0.00 C ATOM 1129 CE2 PHE A 91 -5.877 12.090 6.951 1.00 0.00 C ATOM 1130 CZ PHE A 91 -5.744 12.555 8.263 1.00 0.00 C ATOM 0 H PHE A 91 -10.682 7.777 8.148 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.236 10.715 8.456 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.399 8.610 7.688 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.817 9.473 6.221 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.179 10.696 9.737 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.986 10.819 5.618 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.499 12.432 10.273 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.216 12.455 6.179 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.991 13.291 8.503 1.00 0.00 H new ATOM 1140 N GLY A 92 -12.431 9.487 6.838 1.00 0.00 N ATOM 1141 CA GLY A 92 -13.386 9.609 5.741 1.00 0.00 C ATOM 1142 C GLY A 92 -14.248 10.818 5.996 1.00 0.00 C ATOM 1143 O GLY A 92 -14.864 11.348 5.095 1.00 0.00 O ATOM 0 H GLY A 92 -12.784 9.005 7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.862 9.710 4.791 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.001 8.712 5.672 1.00 0.00 H new TER 1147 GLY A 92