USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 735 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 77 THR OG1 : rot 180:sc= 0.0771 USER MOD Set 1.2: A 100 THR OG1 : rot -63:sc= 0.076 USER MOD Set 2.1: A 49 SER OG : rot -49:sc= 1.12 USER MOD Set 2.2: A 79 SER OG : rot 180:sc= 0.657 USER MOD Set 3.1: A 39 SER OG : rot -80:sc= -0.813 USER MOD Set 3.2: A 87 LYS NZ :NH3+ -147:sc= 0.448 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.822 USER MOD Single : A 18 GLN : amide:sc= -0.0727 K(o=-0.073,f=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0859 K(o=-0.086,f=-1.4!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 2:sc= 0.119 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.858 USER MOD Single : A 45 SER OG : rot 150:sc= 0.205 USER MOD Single : A 48 MET CE :methyl -128:sc= -0.922 (180deg=-4.31!) USER MOD Single : A 53 LYS NZ :NH3+ -140:sc= -0.278 (180deg=-1.68!) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.483 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.314 F(o=-1.6,f=-0.31) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -77:sc= -0.319 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -59:sc= 0.00184 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -2.56 K(o=-2.6,f=-12!) USER MOD Single : A 88 MET CE :methyl -107:sc= -4.4! (180deg=-10.3!) USER MOD Single : A 94 SER OG : rot 89:sc= -0.213 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -154:sc= 1.73 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.612 16.875 4.627 1.00 0.00 N ATOM 67 CA PRO A 8 9.828 15.723 4.174 1.00 0.00 C ATOM 68 C PRO A 8 8.882 16.078 3.032 1.00 0.00 C ATOM 69 O PRO A 8 8.511 17.236 2.838 1.00 0.00 O ATOM 70 CB PRO A 8 9.034 15.322 5.420 1.00 0.00 C ATOM 71 CG PRO A 8 8.936 16.572 6.225 1.00 0.00 C ATOM 72 CD PRO A 8 10.208 17.331 5.967 1.00 0.00 C ATOM 0 HA PRO A 8 10.462 14.928 3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.047 14.943 5.155 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.540 14.532 5.975 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.065 17.158 5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.825 16.346 7.285 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.045 18.408 5.993 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.969 17.106 6.714 1.00 0.00 H new ATOM 80 N PRO A 9 8.481 15.060 2.256 1.00 0.00 N ATOM 81 CA PRO A 9 7.572 15.240 1.120 1.00 0.00 C ATOM 82 C PRO A 9 6.156 15.591 1.561 1.00 0.00 C ATOM 83 O PRO A 9 5.742 15.262 2.672 1.00 0.00 O ATOM 84 CB PRO A 9 7.595 13.875 0.428 1.00 0.00 C ATOM 85 CG PRO A 9 7.960 12.911 1.503 1.00 0.00 C ATOM 86 CD PRO A 9 8.884 13.654 2.429 1.00 0.00 C ATOM 0 HA PRO A 9 7.881 16.064 0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.624 13.635 -0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.321 13.855 -0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.073 12.563 2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.449 12.030 1.088 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.767 13.326 3.462 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.930 13.500 2.162 1.00 0.00 H new ATOM 94 N GLY A 10 5.415 16.260 0.682 1.00 0.00 N ATOM 95 CA GLY A 10 4.052 16.644 1.000 1.00 0.00 C ATOM 96 C GLY A 10 3.097 15.467 0.971 1.00 0.00 C ATOM 97 O GLY A 10 3.506 14.311 0.866 1.00 0.00 O ATOM 0 H GLY A 10 5.735 16.543 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.028 17.103 1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.715 17.399 0.290 1.00 0.00 H new ATOM 101 N PRO A 11 1.791 15.758 1.066 1.00 0.00 N ATOM 102 CA PRO A 11 0.748 14.728 1.054 1.00 0.00 C ATOM 103 C PRO A 11 0.601 14.068 -0.313 1.00 0.00 C ATOM 104 O PRO A 11 0.104 14.681 -1.258 1.00 0.00 O ATOM 105 CB PRO A 11 -0.521 15.504 1.412 1.00 0.00 C ATOM 106 CG PRO A 11 -0.242 16.904 0.986 1.00 0.00 C ATOM 107 CD PRO A 11 1.232 17.114 1.194 1.00 0.00 C ATOM 0 HA PRO A 11 0.973 13.912 1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.391 15.099 0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.730 15.450 2.480 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.514 17.056 -0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.824 17.614 1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.650 17.793 0.451 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.442 17.545 2.173 1.00 0.00 H new ATOM 115 N CYS A 12 1.036 12.817 -0.411 1.00 0.00 N ATOM 116 CA CYS A 12 0.953 12.074 -1.664 1.00 0.00 C ATOM 117 C CYS A 12 -0.494 11.724 -1.993 1.00 0.00 C ATOM 118 O CYS A 12 -1.388 11.884 -1.161 1.00 0.00 O ATOM 119 CB CYS A 12 1.793 10.799 -1.581 1.00 0.00 C ATOM 120 SG CYS A 12 3.478 11.062 -0.980 1.00 0.00 S ATOM 0 H CYS A 12 1.450 12.296 0.362 1.00 0.00 H new ATOM 0 HA CYS A 12 1.345 12.707 -2.460 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.291 10.088 -0.924 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.839 10.342 -2.569 1.00 0.00 H new ATOM 0 HG CYS A 12 4.108 9.925 -0.943 1.00 0.00 H new ATOM 126 N LEU A 13 -0.719 11.247 -3.212 1.00 0.00 N ATOM 127 CA LEU A 13 -2.059 10.876 -3.654 1.00 0.00 C ATOM 128 C LEU A 13 -2.360 9.420 -3.313 1.00 0.00 C ATOM 129 O LEU A 13 -1.460 8.592 -3.164 1.00 0.00 O ATOM 130 CB LEU A 13 -2.201 11.099 -5.160 1.00 0.00 C ATOM 131 CG LEU A 13 -2.270 12.555 -5.620 1.00 0.00 C ATOM 132 CD1 LEU A 13 -2.062 12.652 -7.123 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.601 13.178 -5.223 1.00 0.00 C ATOM 0 H LEU A 13 0.009 11.108 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.776 11.509 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.358 10.621 -5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.103 10.589 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.471 13.109 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.115 13.696 -7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.084 12.246 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.838 12.083 -7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.632 14.215 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.416 12.622 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.710 13.144 -4.139 1.00 0.00 H new ATOM 145 N PRO A 14 -3.656 9.097 -3.187 1.00 0.00 N ATOM 146 CA PRO A 14 -4.106 7.739 -2.865 1.00 0.00 C ATOM 147 C PRO A 14 -3.873 6.764 -4.014 1.00 0.00 C ATOM 148 O PRO A 14 -3.991 7.112 -5.189 1.00 0.00 O ATOM 149 CB PRO A 14 -5.605 7.914 -2.608 1.00 0.00 C ATOM 150 CG PRO A 14 -5.983 9.129 -3.383 1.00 0.00 C ATOM 151 CD PRO A 14 -4.781 10.032 -3.350 1.00 0.00 C ATOM 0 HA PRO A 14 -3.561 7.318 -2.020 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.168 7.042 -2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.812 8.042 -1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.249 8.871 -4.408 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.851 9.619 -2.942 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.690 10.614 -4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.835 10.743 -2.526 1.00 0.00 H new ATOM 159 N PRO A 15 -3.534 5.513 -3.670 1.00 0.00 N ATOM 160 CA PRO A 15 -3.279 4.461 -4.658 1.00 0.00 C ATOM 161 C PRO A 15 -4.549 4.023 -5.380 1.00 0.00 C ATOM 162 O PRO A 15 -5.601 3.860 -4.761 1.00 0.00 O ATOM 163 CB PRO A 15 -2.719 3.312 -3.817 1.00 0.00 C ATOM 164 CG PRO A 15 -3.271 3.537 -2.452 1.00 0.00 C ATOM 165 CD PRO A 15 -3.375 5.028 -2.288 1.00 0.00 C ATOM 0 HA PRO A 15 -2.606 4.798 -5.446 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.027 2.345 -4.214 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.629 3.321 -3.810 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.247 3.063 -2.343 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.620 3.105 -1.692 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.225 5.305 -1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.485 5.443 -1.816 1.00 0.00 H new ATOM 173 N ARG A 16 -4.443 3.834 -6.691 1.00 0.00 N ATOM 174 CA ARG A 16 -5.584 3.415 -7.497 1.00 0.00 C ATOM 175 C ARG A 16 -5.651 1.894 -7.597 1.00 0.00 C ATOM 176 O ARG A 16 -4.741 1.256 -8.128 1.00 0.00 O ATOM 177 CB ARG A 16 -5.498 4.026 -8.897 1.00 0.00 C ATOM 178 CG ARG A 16 -5.975 5.468 -8.963 1.00 0.00 C ATOM 179 CD ARG A 16 -7.450 5.583 -8.613 1.00 0.00 C ATOM 180 NE ARG A 16 -8.067 6.758 -9.223 1.00 0.00 N ATOM 181 CZ ARG A 16 -9.274 7.207 -8.897 1.00 0.00 C ATOM 182 NH1 ARG A 16 -9.989 6.584 -7.971 1.00 0.00 N ATOM 183 NH2 ARG A 16 -9.767 8.283 -9.497 1.00 0.00 N ATOM 0 H ARG A 16 -3.579 3.964 -7.218 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.492 3.769 -7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.465 3.978 -9.242 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.092 3.424 -9.584 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.388 6.078 -8.276 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.806 5.863 -9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.972 4.686 -8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.563 5.635 -7.530 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.542 7.261 -9.938 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.613 5.757 -7.507 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.915 6.931 -7.723 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.219 8.766 -10.209 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.694 8.627 -9.246 1.00 0.00 H new ATOM 197 N LEU A 17 -6.732 1.320 -7.082 1.00 0.00 N ATOM 198 CA LEU A 17 -6.917 -0.127 -7.112 1.00 0.00 C ATOM 199 C LEU A 17 -6.537 -0.696 -8.475 1.00 0.00 C ATOM 200 O LEU A 17 -7.103 -0.312 -9.498 1.00 0.00 O ATOM 201 CB LEU A 17 -8.369 -0.482 -6.786 1.00 0.00 C ATOM 202 CG LEU A 17 -8.780 -1.932 -7.044 1.00 0.00 C ATOM 203 CD1 LEU A 17 -8.158 -2.855 -6.008 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.296 -2.066 -7.039 1.00 0.00 C ATOM 0 H LEU A 17 -7.494 1.834 -6.639 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.263 -0.568 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.550 -0.256 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.021 0.169 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.413 -2.224 -8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.462 -3.883 -6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.072 -2.781 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.494 -2.564 -5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.570 -3.105 -7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.686 -1.755 -6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.720 -1.434 -7.820 1.00 0.00 H new ATOM 216 N GLN A 18 -5.577 -1.615 -8.480 1.00 0.00 N ATOM 217 CA GLN A 18 -5.122 -2.238 -9.717 1.00 0.00 C ATOM 218 C GLN A 18 -6.105 -3.309 -10.180 1.00 0.00 C ATOM 219 O GLN A 18 -6.646 -4.061 -9.371 1.00 0.00 O ATOM 220 CB GLN A 18 -3.734 -2.852 -9.524 1.00 0.00 C ATOM 221 CG GLN A 18 -2.909 -2.904 -10.800 1.00 0.00 C ATOM 222 CD GLN A 18 -1.800 -3.935 -10.736 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.994 -5.042 -10.233 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.628 -3.576 -11.247 1.00 0.00 N ATOM 0 H GLN A 18 -5.099 -1.945 -7.641 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.066 -1.466 -10.484 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.192 -2.276 -8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.844 -3.863 -9.131 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.563 -3.131 -11.642 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.476 -1.922 -10.989 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.512 -2.648 -11.654 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.156 -4.228 -11.232 1.00 0.00 H new ATOM 233 N GLY A 19 -6.331 -3.371 -11.489 1.00 0.00 N ATOM 234 CA GLY A 19 -7.249 -4.353 -12.037 1.00 0.00 C ATOM 235 C GLY A 19 -8.476 -4.548 -11.169 1.00 0.00 C ATOM 236 O GLY A 19 -9.288 -3.635 -11.016 1.00 0.00 O ATOM 0 H GLY A 19 -5.895 -2.759 -12.179 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.559 -4.039 -13.034 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.732 -5.306 -12.149 1.00 0.00 H new ATOM 240 N ARG A 20 -8.613 -5.741 -10.600 1.00 0.00 N ATOM 241 CA ARG A 20 -9.752 -6.053 -9.745 1.00 0.00 C ATOM 242 C ARG A 20 -9.287 -6.610 -8.402 1.00 0.00 C ATOM 243 O ARG A 20 -8.312 -7.356 -8.316 1.00 0.00 O ATOM 244 CB ARG A 20 -10.674 -7.059 -10.435 1.00 0.00 C ATOM 245 CG ARG A 20 -11.388 -6.495 -11.653 1.00 0.00 C ATOM 246 CD ARG A 20 -12.396 -5.426 -11.263 1.00 0.00 C ATOM 247 NE ARG A 20 -13.470 -5.302 -12.244 1.00 0.00 N ATOM 248 CZ ARG A 20 -14.451 -6.187 -12.375 1.00 0.00 C ATOM 249 NH1 ARG A 20 -14.494 -7.255 -11.591 1.00 0.00 N ATOM 250 NH2 ARG A 20 -15.393 -6.005 -13.292 1.00 0.00 N ATOM 0 H ARG A 20 -7.950 -6.507 -10.716 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.303 -5.130 -9.565 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.089 -7.928 -10.737 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.417 -7.409 -9.718 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.656 -6.073 -12.342 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.897 -7.300 -12.183 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.821 -5.667 -10.289 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.887 -4.468 -11.160 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.467 -4.491 -12.863 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.772 -7.399 -10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.249 -7.933 -11.694 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.364 -5.184 -13.897 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.146 -6.686 -13.392 1.00 0.00 H new ATOM 264 N PRO A 21 -10.001 -6.240 -7.329 1.00 0.00 N ATOM 265 CA PRO A 21 -9.680 -6.692 -5.971 1.00 0.00 C ATOM 266 C PRO A 21 -9.966 -8.176 -5.771 1.00 0.00 C ATOM 267 O PRO A 21 -10.616 -8.812 -6.602 1.00 0.00 O ATOM 268 CB PRO A 21 -10.603 -5.846 -5.089 1.00 0.00 C ATOM 269 CG PRO A 21 -11.747 -5.488 -5.973 1.00 0.00 C ATOM 270 CD PRO A 21 -11.176 -5.353 -7.357 1.00 0.00 C ATOM 0 HA PRO A 21 -8.621 -6.574 -5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.938 -6.405 -4.215 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.093 -4.956 -4.721 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.519 -6.257 -5.943 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.212 -4.557 -5.651 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.893 -5.659 -8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.897 -4.323 -7.578 1.00 0.00 H new ATOM 278 N LYS A 22 -9.477 -8.724 -4.664 1.00 0.00 N ATOM 279 CA LYS A 22 -9.680 -10.134 -4.353 1.00 0.00 C ATOM 280 C LYS A 22 -10.443 -10.297 -3.043 1.00 0.00 C ATOM 281 O LYS A 22 -10.839 -9.314 -2.417 1.00 0.00 O ATOM 282 CB LYS A 22 -8.335 -10.858 -4.266 1.00 0.00 C ATOM 283 CG LYS A 22 -7.475 -10.696 -5.507 1.00 0.00 C ATOM 284 CD LYS A 22 -7.823 -11.729 -6.565 1.00 0.00 C ATOM 285 CE LYS A 22 -6.653 -11.982 -7.504 1.00 0.00 C ATOM 286 NZ LYS A 22 -7.100 -12.541 -8.810 1.00 0.00 N ATOM 0 H LYS A 22 -8.937 -8.212 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.271 -10.576 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.786 -10.483 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.514 -11.919 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.610 -9.695 -5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.423 -10.791 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.112 -12.663 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.684 -11.387 -7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.115 -11.049 -7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.953 -12.673 -7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.273 -12.699 -9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.591 -13.444 -8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.748 -11.871 -9.271 1.00 0.00 H new ATOM 300 N ALA A 23 -10.646 -11.545 -2.633 1.00 0.00 N ATOM 301 CA ALA A 23 -11.358 -11.837 -1.395 1.00 0.00 C ATOM 302 C ALA A 23 -10.557 -11.380 -0.180 1.00 0.00 C ATOM 303 O ALA A 23 -11.064 -10.650 0.673 1.00 0.00 O ATOM 304 CB ALA A 23 -11.664 -13.324 -1.299 1.00 0.00 C ATOM 0 H ALA A 23 -10.327 -12.370 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.298 -11.285 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.196 -13.527 -0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.284 -13.623 -2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.732 -13.889 -1.314 1.00 0.00 H new ATOM 310 N LYS A 24 -9.304 -11.814 -0.106 1.00 0.00 N ATOM 311 CA LYS A 24 -8.432 -11.450 1.004 1.00 0.00 C ATOM 312 C LYS A 24 -7.162 -10.772 0.499 1.00 0.00 C ATOM 313 O LYS A 24 -6.141 -10.756 1.186 1.00 0.00 O ATOM 314 CB LYS A 24 -8.068 -12.691 1.823 1.00 0.00 C ATOM 315 CG LYS A 24 -9.276 -13.466 2.321 1.00 0.00 C ATOM 316 CD LYS A 24 -8.936 -14.304 3.542 1.00 0.00 C ATOM 317 CE LYS A 24 -10.176 -14.958 4.131 1.00 0.00 C ATOM 318 NZ LYS A 24 -10.450 -16.285 3.512 1.00 0.00 N ATOM 0 H LYS A 24 -8.869 -12.419 -0.802 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.970 -10.747 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.450 -13.350 1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.464 -12.388 2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.079 -12.771 2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.647 -14.113 1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.213 -15.073 3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.462 -13.675 4.296 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.047 -15.079 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.036 -14.304 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.303 -16.698 3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.598 -16.167 2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.640 -16.917 3.674 1.00 0.00 H new ATOM 332 N GLU A 25 -7.235 -10.212 -0.705 1.00 0.00 N ATOM 333 CA GLU A 25 -6.090 -9.532 -1.300 1.00 0.00 C ATOM 334 C GLU A 25 -6.546 -8.389 -2.203 1.00 0.00 C ATOM 335 O GLU A 25 -7.681 -8.376 -2.681 1.00 0.00 O ATOM 336 CB GLU A 25 -5.241 -10.521 -2.101 1.00 0.00 C ATOM 337 CG GLU A 25 -4.770 -11.716 -1.289 1.00 0.00 C ATOM 338 CD GLU A 25 -5.817 -12.809 -1.200 1.00 0.00 C ATOM 339 OE1 GLU A 25 -6.854 -12.694 -1.887 1.00 0.00 O ATOM 340 OE2 GLU A 25 -5.600 -13.779 -0.444 1.00 0.00 O ATOM 0 H GLU A 25 -8.073 -10.216 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.486 -9.117 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.820 -10.877 -2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.372 -9.999 -2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.864 -12.122 -1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.507 -11.387 -0.284 1.00 0.00 H new ATOM 347 N ILE A 26 -5.654 -7.431 -2.430 1.00 0.00 N ATOM 348 CA ILE A 26 -5.964 -6.284 -3.275 1.00 0.00 C ATOM 349 C ILE A 26 -4.694 -5.664 -3.847 1.00 0.00 C ATOM 350 O ILE A 26 -3.744 -5.384 -3.116 1.00 0.00 O ATOM 351 CB ILE A 26 -6.742 -5.206 -2.497 1.00 0.00 C ATOM 352 CG1 ILE A 26 -7.935 -5.832 -1.771 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.207 -4.105 -3.440 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.744 -4.836 -0.970 1.00 0.00 C ATOM 0 H ILE A 26 -4.711 -7.426 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.586 -6.652 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.079 -4.765 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.585 -6.311 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.574 -6.615 -1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.755 -3.350 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.342 -3.644 -3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.858 -4.531 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.573 -5.349 -0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.108 -4.375 -0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.135 -4.066 -1.635 1.00 0.00 H new ATOM 366 N GLN A 27 -4.685 -5.450 -5.159 1.00 0.00 N ATOM 367 CA GLN A 27 -3.532 -4.861 -5.829 1.00 0.00 C ATOM 368 C GLN A 27 -3.671 -3.345 -5.922 1.00 0.00 C ATOM 369 O GLN A 27 -4.762 -2.825 -6.160 1.00 0.00 O ATOM 370 CB GLN A 27 -3.370 -5.457 -7.229 1.00 0.00 C ATOM 371 CG GLN A 27 -2.979 -6.926 -7.223 1.00 0.00 C ATOM 372 CD GLN A 27 -3.288 -7.617 -8.537 1.00 0.00 C ATOM 373 OE1 GLN A 27 -4.246 -7.267 -9.225 1.00 0.00 O ATOM 374 NE2 GLN A 27 -2.475 -8.605 -8.891 1.00 0.00 N ATOM 0 H GLN A 27 -5.463 -5.676 -5.779 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.645 -5.090 -5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.306 -5.341 -7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.613 -4.890 -7.771 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.913 -7.014 -7.013 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.506 -7.435 -6.416 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.692 -8.862 -8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.633 -9.107 -9.765 1.00 0.00 H new ATOM 383 N LEU A 28 -2.561 -2.642 -5.732 1.00 0.00 N ATOM 384 CA LEU A 28 -2.558 -1.184 -5.794 1.00 0.00 C ATOM 385 C LEU A 28 -1.440 -0.679 -6.700 1.00 0.00 C ATOM 386 O LEU A 28 -0.386 -1.306 -6.809 1.00 0.00 O ATOM 387 CB LEU A 28 -2.400 -0.595 -4.391 1.00 0.00 C ATOM 388 CG LEU A 28 -3.444 -1.024 -3.361 1.00 0.00 C ATOM 389 CD1 LEU A 28 -2.862 -0.972 -1.957 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.683 -0.145 -3.459 1.00 0.00 C ATOM 0 H LEU A 28 -1.651 -3.057 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.511 -0.861 -6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.414 -0.867 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.423 0.492 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.735 -2.053 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.620 -1.281 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.006 -1.644 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.542 0.046 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.416 -0.465 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.408 0.893 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.114 -0.233 -4.457 1.00 0.00 H new ATOM 402 N ARG A 29 -1.677 0.458 -7.346 1.00 0.00 N ATOM 403 CA ARG A 29 -0.689 1.047 -8.242 1.00 0.00 C ATOM 404 C ARG A 29 -0.697 2.569 -8.134 1.00 0.00 C ATOM 405 O ARG A 29 -1.600 3.232 -8.642 1.00 0.00 O ATOM 406 CB ARG A 29 -0.963 0.626 -9.687 1.00 0.00 C ATOM 407 CG ARG A 29 -0.227 1.467 -10.716 1.00 0.00 C ATOM 408 CD ARG A 29 0.096 0.662 -11.965 1.00 0.00 C ATOM 409 NE ARG A 29 0.257 1.515 -13.140 1.00 0.00 N ATOM 410 CZ ARG A 29 0.098 1.087 -14.387 1.00 0.00 C ATOM 411 NH1 ARG A 29 -0.227 -0.177 -14.621 1.00 0.00 N ATOM 412 NH2 ARG A 29 0.262 1.923 -15.404 1.00 0.00 N ATOM 0 H ARG A 29 -2.544 0.989 -7.266 1.00 0.00 H new ATOM 0 HA ARG A 29 0.295 0.684 -7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.678 -0.418 -9.813 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.034 0.689 -9.878 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.836 2.330 -10.985 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.695 1.851 -10.281 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.011 0.092 -11.803 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.700 -0.059 -12.147 1.00 0.00 H new ATOM 0 HE ARG A 29 0.505 2.494 -12.995 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.355 -0.823 -13.842 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.349 -0.503 -15.580 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.511 2.897 -15.229 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.139 1.592 -16.361 1.00 0.00 H new ATOM 426 N TRP A 30 0.314 3.115 -7.468 1.00 0.00 N ATOM 427 CA TRP A 30 0.423 4.559 -7.293 1.00 0.00 C ATOM 428 C TRP A 30 1.665 5.100 -7.993 1.00 0.00 C ATOM 429 O TRP A 30 2.371 4.365 -8.681 1.00 0.00 O ATOM 430 CB TRP A 30 0.468 4.911 -5.805 1.00 0.00 C ATOM 431 CG TRP A 30 1.614 4.274 -5.078 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.814 4.851 -4.776 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.667 2.939 -4.563 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.611 3.954 -4.105 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.929 2.775 -3.961 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.770 1.868 -4.550 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.315 1.582 -3.355 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.154 0.685 -3.948 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.417 0.550 -3.357 1.00 0.00 C ATOM 0 H TRP A 30 1.070 2.580 -7.040 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.456 5.022 -7.743 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.535 5.994 -5.697 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.467 4.601 -5.337 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.096 5.863 -5.027 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.557 4.137 -3.769 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.206 1.963 -5.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.289 1.475 -2.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.469 -0.150 -3.933 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.687 -0.387 -2.894 1.00 0.00 H new ATOM 450 N GLY A 31 1.926 6.391 -7.812 1.00 0.00 N ATOM 451 CA GLY A 31 3.083 7.008 -8.433 1.00 0.00 C ATOM 452 C GLY A 31 3.758 8.019 -7.527 1.00 0.00 C ATOM 453 O GLY A 31 3.301 8.291 -6.416 1.00 0.00 O ATOM 0 H GLY A 31 1.357 7.020 -7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.800 6.234 -8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.777 7.500 -9.356 1.00 0.00 H new ATOM 457 N PRO A 32 4.873 8.594 -8.002 1.00 0.00 N ATOM 458 CA PRO A 32 5.636 9.588 -7.242 1.00 0.00 C ATOM 459 C PRO A 32 4.892 10.913 -7.110 1.00 0.00 C ATOM 460 O PRO A 32 4.314 11.426 -8.068 1.00 0.00 O ATOM 461 CB PRO A 32 6.908 9.770 -8.074 1.00 0.00 C ATOM 462 CG PRO A 32 6.511 9.397 -9.460 1.00 0.00 C ATOM 463 CD PRO A 32 5.474 8.318 -9.318 1.00 0.00 C ATOM 0 HA PRO A 32 5.822 9.263 -6.218 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.267 10.798 -8.028 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.714 9.134 -7.709 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.108 10.257 -9.995 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.370 9.041 -10.029 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.733 8.365 -10.116 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.920 7.324 -9.356 1.00 0.00 H new ATOM 471 N PRO A 33 4.905 11.481 -5.895 1.00 0.00 N ATOM 472 CA PRO A 33 4.237 12.754 -5.610 1.00 0.00 C ATOM 473 C PRO A 33 4.931 13.936 -6.278 1.00 0.00 C ATOM 474 O PRO A 33 6.059 13.817 -6.757 1.00 0.00 O ATOM 475 CB PRO A 33 4.331 12.870 -4.086 1.00 0.00 C ATOM 476 CG PRO A 33 5.523 12.056 -3.717 1.00 0.00 C ATOM 477 CD PRO A 33 5.574 10.925 -4.707 1.00 0.00 C ATOM 0 HA PRO A 33 3.216 12.773 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.449 13.908 -3.774 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.429 12.493 -3.604 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.433 12.654 -3.761 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.438 11.679 -2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.600 10.628 -4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.059 10.040 -4.333 1.00 0.00 H new ATOM 485 N LEU A 34 4.251 15.077 -6.306 1.00 0.00 N ATOM 486 CA LEU A 34 4.803 16.282 -6.915 1.00 0.00 C ATOM 487 C LEU A 34 5.749 16.994 -5.954 1.00 0.00 C ATOM 488 O LEU A 34 6.785 17.519 -6.361 1.00 0.00 O ATOM 489 CB LEU A 34 3.676 17.228 -7.334 1.00 0.00 C ATOM 490 CG LEU A 34 3.024 16.937 -8.687 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.093 15.739 -8.584 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.270 18.160 -9.188 1.00 0.00 C ATOM 0 H LEU A 34 3.316 15.193 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 34 5.368 15.986 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.902 17.201 -6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.070 18.244 -7.354 1.00 0.00 H new ATOM 0 HG LEU A 34 3.809 16.699 -9.405 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.638 15.547 -9.556 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.661 14.863 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.312 15.947 -7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.812 17.936 -10.151 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.494 18.428 -8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.963 18.994 -9.301 1.00 0.00 H new ATOM 504 N VAL A 35 5.386 17.006 -4.675 1.00 0.00 N ATOM 505 CA VAL A 35 6.203 17.651 -3.654 1.00 0.00 C ATOM 506 C VAL A 35 7.012 16.625 -2.869 1.00 0.00 C ATOM 507 O VAL A 35 6.535 16.069 -1.879 1.00 0.00 O ATOM 508 CB VAL A 35 5.338 18.466 -2.674 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.211 19.367 -1.814 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.299 19.279 -3.431 1.00 0.00 C ATOM 0 H VAL A 35 4.531 16.576 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 35 6.883 18.326 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 35 4.814 17.773 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.583 19.935 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.912 18.758 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.765 20.055 -2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.697 19.849 -2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.800 19.964 -4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.654 18.608 -3.998 1.00 0.00 H new ATOM 520 N ASP A 36 8.238 16.378 -3.317 1.00 0.00 N ATOM 521 CA ASP A 36 9.115 15.419 -2.655 1.00 0.00 C ATOM 522 C ASP A 36 9.949 16.101 -1.575 1.00 0.00 C ATOM 523 O ASP A 36 11.054 15.661 -1.259 1.00 0.00 O ATOM 524 CB ASP A 36 10.033 14.746 -3.676 1.00 0.00 C ATOM 525 CG ASP A 36 10.916 15.740 -4.405 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.241 16.791 -3.813 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.283 15.467 -5.567 1.00 0.00 O ATOM 0 H ASP A 36 8.647 16.828 -4.136 1.00 0.00 H new ATOM 0 HA ASP A 36 8.492 14.660 -2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.659 14.012 -3.169 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.428 14.202 -4.401 1.00 0.00 H new ATOM 532 N GLY A 37 9.412 17.180 -1.012 1.00 0.00 N ATOM 533 CA GLY A 37 10.121 17.906 0.026 1.00 0.00 C ATOM 534 C GLY A 37 11.419 18.509 -0.472 1.00 0.00 C ATOM 535 O GLY A 37 12.349 18.726 0.304 1.00 0.00 O ATOM 0 H GLY A 37 8.499 17.564 -1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.481 18.699 0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.332 17.233 0.857 1.00 0.00 H new ATOM 539 N GLY A 38 11.484 18.780 -1.772 1.00 0.00 N ATOM 540 CA GLY A 38 12.682 19.358 -2.351 1.00 0.00 C ATOM 541 C GLY A 38 13.709 18.308 -2.728 1.00 0.00 C ATOM 542 O GLY A 38 14.509 18.512 -3.641 1.00 0.00 O ATOM 0 H GLY A 38 10.728 18.609 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.413 19.933 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.125 20.056 -1.641 1.00 0.00 H new ATOM 546 N SER A 39 13.688 17.182 -2.021 1.00 0.00 N ATOM 547 CA SER A 39 14.627 16.099 -2.283 1.00 0.00 C ATOM 548 C SER A 39 13.935 14.939 -2.993 1.00 0.00 C ATOM 549 O SER A 39 12.725 14.744 -2.883 1.00 0.00 O ATOM 550 CB SER A 39 15.252 15.610 -0.975 1.00 0.00 C ATOM 551 OG SER A 39 16.465 16.292 -0.703 1.00 0.00 O ATOM 0 H SER A 39 13.031 16.997 -1.263 1.00 0.00 H new ATOM 0 HA SER A 39 15.413 16.483 -2.933 1.00 0.00 H new ATOM 0 HB2 SER A 39 14.552 15.765 -0.154 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.440 14.538 -1.036 1.00 0.00 H new ATOM 0 HG SER A 39 17.189 15.896 -1.232 1.00 0.00 H new ATOM 557 N PRO A 40 14.722 14.149 -3.739 1.00 0.00 N ATOM 558 CA PRO A 40 14.207 12.995 -4.482 1.00 0.00 C ATOM 559 C PRO A 40 13.775 11.859 -3.561 1.00 0.00 C ATOM 560 O PRO A 40 14.575 11.338 -2.784 1.00 0.00 O ATOM 561 CB PRO A 40 15.401 12.564 -5.338 1.00 0.00 C ATOM 562 CG PRO A 40 16.596 13.048 -4.593 1.00 0.00 C ATOM 563 CD PRO A 40 16.173 14.322 -3.915 1.00 0.00 C ATOM 0 HA PRO A 40 13.318 13.246 -5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.426 11.482 -5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.352 13.002 -6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.927 12.309 -3.863 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.432 13.225 -5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.680 14.456 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.403 15.197 -4.524 1.00 0.00 H new ATOM 571 N ILE A 41 12.504 11.480 -3.653 1.00 0.00 N ATOM 572 CA ILE A 41 11.967 10.405 -2.829 1.00 0.00 C ATOM 573 C ILE A 41 12.979 9.276 -2.669 1.00 0.00 C ATOM 574 O ILE A 41 13.791 9.026 -3.560 1.00 0.00 O ATOM 575 CB ILE A 41 10.668 9.833 -3.427 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.626 10.941 -3.592 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.126 8.717 -2.547 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.203 11.573 -2.285 1.00 0.00 C ATOM 0 H ILE A 41 11.828 11.902 -4.290 1.00 0.00 H new ATOM 0 HA ILE A 41 11.749 10.836 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 41 10.890 9.419 -4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.030 11.714 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.747 10.531 -4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.208 8.323 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.865 7.919 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.916 9.108 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.463 12.350 -2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.769 10.812 -1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.072 12.014 -1.796 1.00 0.00 H new ATOM 590 N SER A 42 12.924 8.597 -1.528 1.00 0.00 N ATOM 591 CA SER A 42 13.838 7.495 -1.249 1.00 0.00 C ATOM 592 C SER A 42 13.080 6.175 -1.140 1.00 0.00 C ATOM 593 O SER A 42 13.476 5.168 -1.728 1.00 0.00 O ATOM 594 CB SER A 42 14.612 7.761 0.043 1.00 0.00 C ATOM 595 OG SER A 42 15.799 6.989 0.095 1.00 0.00 O ATOM 0 H SER A 42 12.256 8.790 -0.782 1.00 0.00 H new ATOM 0 HA SER A 42 14.543 7.421 -2.077 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.860 8.820 0.110 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.984 7.526 0.902 1.00 0.00 H new ATOM 0 HG SER A 42 16.276 7.179 0.930 1.00 0.00 H new ATOM 601 N CYS A 43 11.989 6.188 -0.382 1.00 0.00 N ATOM 602 CA CYS A 43 11.175 4.993 -0.194 1.00 0.00 C ATOM 603 C CYS A 43 9.741 5.363 0.170 1.00 0.00 C ATOM 604 O CYS A 43 9.496 6.388 0.808 1.00 0.00 O ATOM 605 CB CYS A 43 11.778 4.107 0.897 1.00 0.00 C ATOM 606 SG CYS A 43 13.424 3.470 0.505 1.00 0.00 S ATOM 0 H CYS A 43 11.648 7.013 0.112 1.00 0.00 H new ATOM 0 HA CYS A 43 11.161 4.442 -1.134 1.00 0.00 H new ATOM 0 HB2 CYS A 43 11.832 4.677 1.824 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.109 3.266 1.079 1.00 0.00 H new ATOM 0 HG CYS A 43 13.806 3.934 -0.648 1.00 0.00 H new ATOM 612 N TYR A 44 8.796 4.525 -0.242 1.00 0.00 N ATOM 613 CA TYR A 44 7.386 4.766 0.037 1.00 0.00 C ATOM 614 C TYR A 44 6.866 3.798 1.095 1.00 0.00 C ATOM 615 O TYR A 44 7.522 2.810 1.425 1.00 0.00 O ATOM 616 CB TYR A 44 6.561 4.631 -1.244 1.00 0.00 C ATOM 617 CG TYR A 44 6.886 5.676 -2.287 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.288 6.929 -2.253 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.792 5.409 -3.306 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.581 7.886 -3.205 1.00 0.00 C ATOM 621 CE2 TYR A 44 8.093 6.361 -4.261 1.00 0.00 C ATOM 622 CZ TYR A 44 7.484 7.598 -4.207 1.00 0.00 C ATOM 623 OH TYR A 44 7.780 8.549 -5.156 1.00 0.00 O ATOM 0 H TYR A 44 8.981 3.673 -0.771 1.00 0.00 H new ATOM 0 HA TYR A 44 7.286 5.781 0.420 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.726 3.641 -1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.502 4.697 -0.993 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.582 7.159 -1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.269 4.441 -3.352 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.105 8.855 -3.165 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.801 6.138 -5.045 1.00 0.00 H new ATOM 0 HH TYR A 44 8.434 8.187 -5.789 1.00 0.00 H new ATOM 633 N SER A 45 5.682 4.089 1.624 1.00 0.00 N ATOM 634 CA SER A 45 5.073 3.247 2.647 1.00 0.00 C ATOM 635 C SER A 45 3.551 3.322 2.579 1.00 0.00 C ATOM 636 O SER A 45 2.963 4.392 2.740 1.00 0.00 O ATOM 637 CB SER A 45 5.554 3.669 4.037 1.00 0.00 C ATOM 638 OG SER A 45 4.727 3.123 5.050 1.00 0.00 O ATOM 0 H SER A 45 5.125 4.902 1.361 1.00 0.00 H new ATOM 0 HA SER A 45 5.377 2.217 2.462 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.582 3.339 4.185 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.555 4.757 4.110 1.00 0.00 H new ATOM 0 HG SER A 45 5.257 2.977 5.861 1.00 0.00 H new ATOM 644 N VAL A 46 2.919 2.179 2.338 1.00 0.00 N ATOM 645 CA VAL A 46 1.465 2.113 2.248 1.00 0.00 C ATOM 646 C VAL A 46 0.856 1.606 3.551 1.00 0.00 C ATOM 647 O VAL A 46 1.184 0.515 4.017 1.00 0.00 O ATOM 648 CB VAL A 46 1.014 1.198 1.094 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.500 1.226 0.950 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.689 1.610 -0.206 1.00 0.00 C ATOM 0 H VAL A 46 3.391 1.285 2.201 1.00 0.00 H new ATOM 0 HA VAL A 46 1.114 3.127 2.056 1.00 0.00 H new ATOM 0 HB VAL A 46 1.314 0.176 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.800 0.574 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.960 0.880 1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.827 2.245 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.359 0.953 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.421 2.639 -0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.771 1.533 -0.095 1.00 0.00 H new ATOM 660 N GLU A 47 -0.032 2.405 4.133 1.00 0.00 N ATOM 661 CA GLU A 47 -0.686 2.037 5.383 1.00 0.00 C ATOM 662 C GLU A 47 -2.178 1.801 5.168 1.00 0.00 C ATOM 663 O GLU A 47 -2.953 2.746 5.029 1.00 0.00 O ATOM 664 CB GLU A 47 -0.478 3.129 6.435 1.00 0.00 C ATOM 665 CG GLU A 47 -0.963 2.739 7.821 1.00 0.00 C ATOM 666 CD GLU A 47 -0.731 3.830 8.848 1.00 0.00 C ATOM 667 OE1 GLU A 47 -0.895 5.017 8.499 1.00 0.00 O ATOM 668 OE2 GLU A 47 -0.385 3.496 10.001 1.00 0.00 O ATOM 0 H GLU A 47 -0.315 3.311 3.759 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.236 1.110 5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.583 3.375 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.000 4.032 6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.027 2.506 7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.451 1.831 8.139 1.00 0.00 H new ATOM 675 N MET A 48 -2.573 0.532 5.140 1.00 0.00 N ATOM 676 CA MET A 48 -3.972 0.171 4.942 1.00 0.00 C ATOM 677 C MET A 48 -4.663 -0.082 6.278 1.00 0.00 C ATOM 678 O MET A 48 -4.044 -0.565 7.226 1.00 0.00 O ATOM 679 CB MET A 48 -4.080 -1.072 4.056 1.00 0.00 C ATOM 680 CG MET A 48 -5.508 -1.552 3.854 1.00 0.00 C ATOM 681 SD MET A 48 -5.605 -3.321 3.519 1.00 0.00 S ATOM 682 CE MET A 48 -5.085 -3.992 5.096 1.00 0.00 C ATOM 0 H MET A 48 -1.944 -0.263 5.252 1.00 0.00 H new ATOM 0 HA MET A 48 -4.470 1.005 4.448 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.637 -0.855 3.084 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.494 -1.877 4.500 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.094 -1.322 4.744 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.958 -1.004 3.026 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.280 -4.709 4.938 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.731 -3.184 5.736 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.927 -4.492 5.574 1.00 0.00 H new ATOM 692 N SER A 49 -5.948 0.249 6.347 1.00 0.00 N ATOM 693 CA SER A 49 -6.722 0.061 7.569 1.00 0.00 C ATOM 694 C SER A 49 -8.187 -0.216 7.247 1.00 0.00 C ATOM 695 O SER A 49 -8.786 0.408 6.370 1.00 0.00 O ATOM 696 CB SER A 49 -6.609 1.297 8.463 1.00 0.00 C ATOM 697 OG SER A 49 -7.590 2.262 8.125 1.00 0.00 O ATOM 0 H SER A 49 -6.476 0.649 5.571 1.00 0.00 H new ATOM 0 HA SER A 49 -6.316 -0.801 8.099 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.725 1.006 9.507 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.615 1.733 8.362 1.00 0.00 H new ATOM 0 HG SER A 49 -7.584 2.409 7.156 1.00 0.00 H new ATOM 703 N PRO A 50 -8.780 -1.176 7.973 1.00 0.00 N ATOM 704 CA PRO A 50 -10.183 -1.558 7.784 1.00 0.00 C ATOM 705 C PRO A 50 -11.147 -0.473 8.249 1.00 0.00 C ATOM 706 O PRO A 50 -11.349 -0.282 9.449 1.00 0.00 O ATOM 707 CB PRO A 50 -10.328 -2.811 8.651 1.00 0.00 C ATOM 708 CG PRO A 50 -9.274 -2.674 9.695 1.00 0.00 C ATOM 709 CD PRO A 50 -8.127 -1.960 9.034 1.00 0.00 C ATOM 0 HA PRO A 50 -10.424 -1.720 6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.321 -2.871 9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.187 -3.718 8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.644 -2.110 10.551 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.964 -3.650 10.067 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.594 -1.320 9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.399 -2.661 8.626 1.00 0.00 H new ATOM 717 N ILE A 51 -11.741 0.234 7.294 1.00 0.00 N ATOM 718 CA ILE A 51 -12.686 1.299 7.607 1.00 0.00 C ATOM 719 C ILE A 51 -13.519 0.950 8.836 1.00 0.00 C ATOM 720 O ILE A 51 -13.784 1.805 9.681 1.00 0.00 O ATOM 721 CB ILE A 51 -13.630 1.580 6.424 1.00 0.00 C ATOM 722 CG1 ILE A 51 -14.909 2.261 6.914 1.00 0.00 C ATOM 723 CG2 ILE A 51 -13.959 0.288 5.690 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.584 3.111 5.860 1.00 0.00 C ATOM 0 H ILE A 51 -11.585 0.089 6.297 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.097 2.193 7.811 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.127 2.252 5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.608 1.498 7.257 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.671 2.886 7.775 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.627 0.503 4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.040 -0.160 5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.446 -0.406 6.375 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.484 3.563 6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.902 3.896 5.534 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.854 2.488 5.008 1.00 0.00 H new ATOM 736 N GLU A 52 -13.927 -0.312 8.929 1.00 0.00 N ATOM 737 CA GLU A 52 -14.730 -0.773 10.056 1.00 0.00 C ATOM 738 C GLU A 52 -14.048 -0.444 11.381 1.00 0.00 C ATOM 739 O GLU A 52 -14.678 0.068 12.307 1.00 0.00 O ATOM 740 CB GLU A 52 -14.972 -2.281 9.955 1.00 0.00 C ATOM 741 CG GLU A 52 -13.713 -3.081 9.667 1.00 0.00 C ATOM 742 CD GLU A 52 -13.976 -4.572 9.584 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.724 -5.092 10.438 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.433 -5.219 8.663 1.00 0.00 O ATOM 0 H GLU A 52 -13.715 -1.032 8.239 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.688 -0.255 10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.411 -2.633 10.888 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.702 -2.472 9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.277 -2.740 8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.978 -2.888 10.448 1.00 0.00 H new ATOM 751 N LYS A 53 -12.755 -0.742 11.464 1.00 0.00 N ATOM 752 CA LYS A 53 -11.985 -0.478 12.674 1.00 0.00 C ATOM 753 C LYS A 53 -10.686 0.251 12.344 1.00 0.00 C ATOM 754 O LYS A 53 -9.980 -0.116 11.405 1.00 0.00 O ATOM 755 CB LYS A 53 -11.677 -1.788 13.403 1.00 0.00 C ATOM 756 CG LYS A 53 -10.842 -2.757 12.584 1.00 0.00 C ATOM 757 CD LYS A 53 -10.808 -4.137 13.219 1.00 0.00 C ATOM 758 CE LYS A 53 -10.653 -5.229 12.171 1.00 0.00 C ATOM 759 NZ LYS A 53 -9.224 -5.472 11.830 1.00 0.00 N ATOM 0 H LYS A 53 -12.219 -1.167 10.707 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.584 0.160 13.324 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.151 -1.563 14.331 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.615 -2.271 13.677 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.251 -2.829 11.576 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.826 -2.374 12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.982 -4.192 13.928 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.725 -4.301 13.784 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.100 -6.152 12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.199 -4.948 11.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.133 -5.627 10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.656 -4.646 12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.884 -6.313 12.339 1.00 0.00 H new ATOM 773 N ASP A 54 -10.378 1.282 13.122 1.00 0.00 N ATOM 774 CA ASP A 54 -9.162 2.060 12.914 1.00 0.00 C ATOM 775 C ASP A 54 -7.927 1.251 13.297 1.00 0.00 C ATOM 776 O ASP A 54 -7.304 1.503 14.327 1.00 0.00 O ATOM 777 CB ASP A 54 -9.213 3.353 13.729 1.00 0.00 C ATOM 778 CG ASP A 54 -8.066 4.289 13.402 1.00 0.00 C ATOM 779 OD1 ASP A 54 -8.124 4.951 12.345 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.111 4.360 14.204 1.00 0.00 O ATOM 0 H ASP A 54 -10.953 1.599 13.903 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.096 2.310 11.855 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.158 3.861 13.540 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.189 3.111 14.791 1.00 0.00 H new ATOM 785 N GLU A 55 -7.580 0.278 12.460 1.00 0.00 N ATOM 786 CA GLU A 55 -6.420 -0.568 12.713 1.00 0.00 C ATOM 787 C GLU A 55 -5.441 -0.514 11.543 1.00 0.00 C ATOM 788 O GLU A 55 -5.194 -1.509 10.861 1.00 0.00 O ATOM 789 CB GLU A 55 -6.860 -2.014 12.957 1.00 0.00 C ATOM 790 CG GLU A 55 -5.796 -2.868 13.625 1.00 0.00 C ATOM 791 CD GLU A 55 -6.369 -4.117 14.267 1.00 0.00 C ATOM 792 OE1 GLU A 55 -7.029 -3.995 15.319 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.156 -5.217 13.715 1.00 0.00 O ATOM 0 H GLU A 55 -8.085 0.057 11.602 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.916 -0.193 13.604 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.756 -2.013 13.578 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.133 -2.468 12.004 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.048 -3.154 12.886 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.284 -2.276 14.384 1.00 0.00 H new ATOM 800 N PRO A 56 -4.872 0.677 11.304 1.00 0.00 N ATOM 801 CA PRO A 56 -3.911 0.890 10.217 1.00 0.00 C ATOM 802 C PRO A 56 -2.579 0.195 10.476 1.00 0.00 C ATOM 803 O PRO A 56 -2.163 0.037 11.623 1.00 0.00 O ATOM 804 CB PRO A 56 -3.727 2.410 10.201 1.00 0.00 C ATOM 805 CG PRO A 56 -4.054 2.846 11.587 1.00 0.00 C ATOM 806 CD PRO A 56 -5.121 1.905 12.076 1.00 0.00 C ATOM 0 HA PRO A 56 -4.266 0.479 9.272 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.707 2.682 9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.386 2.881 9.472 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.173 2.804 12.227 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.408 3.877 11.599 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.041 1.729 13.149 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.120 2.300 11.892 1.00 0.00 H new ATOM 814 N ARG A 57 -1.915 -0.219 9.401 1.00 0.00 N ATOM 815 CA ARG A 57 -0.630 -0.899 9.513 1.00 0.00 C ATOM 816 C ARG A 57 0.094 -0.915 8.170 1.00 0.00 C ATOM 817 O ARG A 57 -0.536 -0.979 7.115 1.00 0.00 O ATOM 818 CB ARG A 57 -0.828 -2.330 10.015 1.00 0.00 C ATOM 819 CG ARG A 57 -1.323 -3.288 8.945 1.00 0.00 C ATOM 820 CD ARG A 57 -2.809 -3.106 8.678 1.00 0.00 C ATOM 821 NE ARG A 57 -3.631 -3.742 9.704 1.00 0.00 N ATOM 822 CZ ARG A 57 -3.923 -5.038 9.713 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.462 -5.831 8.756 1.00 0.00 N ATOM 824 NH2 ARG A 57 -4.678 -5.543 10.681 1.00 0.00 N ATOM 0 H ARG A 57 -2.245 -0.095 8.444 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.018 -0.352 10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.117 -2.700 10.413 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.540 -2.321 10.840 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.764 -3.126 8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.131 -4.315 9.257 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.042 -2.042 8.635 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.056 -3.526 7.703 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.001 -3.159 10.455 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.882 -5.446 8.011 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.688 -6.826 8.765 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.035 -4.936 11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.902 -6.538 10.687 1.00 0.00 H new ATOM 838 N GLU A 58 1.422 -0.858 8.218 1.00 0.00 N ATOM 839 CA GLU A 58 2.231 -0.865 7.005 1.00 0.00 C ATOM 840 C GLU A 58 2.144 -2.216 6.301 1.00 0.00 C ATOM 841 O GLU A 58 2.744 -3.197 6.741 1.00 0.00 O ATOM 842 CB GLU A 58 3.689 -0.543 7.336 1.00 0.00 C ATOM 843 CG GLU A 58 4.634 -0.720 6.159 1.00 0.00 C ATOM 844 CD GLU A 58 6.093 -0.656 6.568 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.491 0.354 7.186 1.00 0.00 O ATOM 846 OE2 GLU A 58 6.836 -1.614 6.269 1.00 0.00 O ATOM 0 H GLU A 58 1.959 -0.807 9.083 1.00 0.00 H new ATOM 0 HA GLU A 58 1.841 -0.099 6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.753 0.485 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.017 -1.184 8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.436 -1.679 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.434 0.054 5.418 1.00 0.00 H new ATOM 853 N VAL A 59 1.392 -2.259 5.206 1.00 0.00 N ATOM 854 CA VAL A 59 1.227 -3.489 4.440 1.00 0.00 C ATOM 855 C VAL A 59 2.287 -3.605 3.351 1.00 0.00 C ATOM 856 O VAL A 59 2.525 -4.687 2.814 1.00 0.00 O ATOM 857 CB VAL A 59 -0.169 -3.563 3.793 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.254 -3.541 4.858 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.358 -2.423 2.803 1.00 0.00 C ATOM 0 H VAL A 59 0.887 -1.457 4.829 1.00 0.00 H new ATOM 0 HA VAL A 59 1.339 -4.316 5.141 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.248 -4.504 3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.233 -3.594 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.128 -4.395 5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.180 -2.618 5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.349 -2.491 2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.259 -1.470 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.399 -2.491 2.021 1.00 0.00 H new ATOM 869 N TYR A 60 2.922 -2.483 3.029 1.00 0.00 N ATOM 870 CA TYR A 60 3.956 -2.458 2.002 1.00 0.00 C ATOM 871 C TYR A 60 4.985 -1.369 2.291 1.00 0.00 C ATOM 872 O TYR A 60 4.685 -0.380 2.958 1.00 0.00 O ATOM 873 CB TYR A 60 3.331 -2.232 0.624 1.00 0.00 C ATOM 874 CG TYR A 60 4.334 -2.253 -0.507 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.758 -3.453 -1.064 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.859 -1.072 -1.018 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.675 -3.477 -2.097 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.775 -1.086 -2.052 1.00 0.00 C ATOM 879 CZ TYR A 60 6.180 -2.291 -2.588 1.00 0.00 C ATOM 880 OH TYR A 60 7.094 -2.309 -3.617 1.00 0.00 O ATOM 0 H TYR A 60 2.738 -1.579 3.465 1.00 0.00 H new ATOM 0 HA TYR A 60 4.463 -3.423 2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.579 -3.000 0.445 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.814 -1.273 0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.364 -4.383 -0.683 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.545 -0.127 -0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.995 -4.419 -2.518 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.172 -0.159 -2.439 1.00 0.00 H new ATOM 0 HH TYR A 60 6.934 -3.093 -4.183 1.00 0.00 H new ATOM 890 N GLN A 61 6.198 -1.560 1.782 1.00 0.00 N ATOM 891 CA GLN A 61 7.271 -0.595 1.985 1.00 0.00 C ATOM 892 C GLN A 61 8.479 -0.933 1.118 1.00 0.00 C ATOM 893 O GLN A 61 9.003 -2.045 1.173 1.00 0.00 O ATOM 894 CB GLN A 61 7.681 -0.558 3.459 1.00 0.00 C ATOM 895 CG GLN A 61 8.680 0.540 3.786 1.00 0.00 C ATOM 896 CD GLN A 61 8.914 0.692 5.276 1.00 0.00 C ATOM 897 OE1 GLN A 61 8.311 1.715 5.869 1.00 0.00 O flip ATOM 898 NE2 GLN A 61 9.629 -0.102 5.887 1.00 0.00 N flip ATOM 0 H GLN A 61 6.462 -2.374 1.226 1.00 0.00 H new ATOM 0 HA GLN A 61 6.901 0.388 1.693 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.790 -0.421 4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.111 -1.522 3.732 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.628 0.322 3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.320 1.486 3.380 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.073 -0.875 5.391 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.777 0.013 6.890 1.00 0.00 H new ATOM 907 N GLY A 62 8.917 0.034 0.318 1.00 0.00 N ATOM 908 CA GLY A 62 10.060 -0.182 -0.550 1.00 0.00 C ATOM 909 C GLY A 62 10.400 1.043 -1.376 1.00 0.00 C ATOM 910 O GLY A 62 10.319 2.170 -0.889 1.00 0.00 O ATOM 0 H GLY A 62 8.501 0.963 0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.924 -0.460 0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.853 -1.020 -1.216 1.00 0.00 H new ATOM 914 N SER A 63 10.785 0.822 -2.629 1.00 0.00 N ATOM 915 CA SER A 63 11.144 1.917 -3.522 1.00 0.00 C ATOM 916 C SER A 63 10.161 2.015 -4.684 1.00 0.00 C ATOM 917 O SER A 63 9.973 3.085 -5.263 1.00 0.00 O ATOM 918 CB SER A 63 12.565 1.721 -4.057 1.00 0.00 C ATOM 919 OG SER A 63 12.654 0.550 -4.849 1.00 0.00 O ATOM 0 H SER A 63 10.856 -0.105 -3.048 1.00 0.00 H new ATOM 0 HA SER A 63 11.101 2.846 -2.953 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.857 2.588 -4.650 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.265 1.655 -3.224 1.00 0.00 H new ATOM 0 HG SER A 63 13.571 0.448 -5.180 1.00 0.00 H new ATOM 925 N GLU A 64 9.535 0.891 -5.019 1.00 0.00 N ATOM 926 CA GLU A 64 8.571 0.851 -6.112 1.00 0.00 C ATOM 927 C GLU A 64 7.351 1.711 -5.794 1.00 0.00 C ATOM 928 O GLU A 64 7.298 2.373 -4.758 1.00 0.00 O ATOM 929 CB GLU A 64 8.135 -0.591 -6.384 1.00 0.00 C ATOM 930 CG GLU A 64 9.225 -1.450 -7.001 1.00 0.00 C ATOM 931 CD GLU A 64 10.482 -1.497 -6.154 1.00 0.00 C ATOM 932 OE1 GLU A 64 10.363 -1.684 -4.925 1.00 0.00 O ATOM 933 OE2 GLU A 64 11.585 -1.346 -6.720 1.00 0.00 O ATOM 0 H GLU A 64 9.678 -0.003 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 64 9.054 1.252 -7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.811 -1.046 -5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.272 -0.581 -7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.848 -2.463 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.472 -1.062 -7.989 1.00 0.00 H new ATOM 940 N VAL A 65 6.373 1.696 -6.694 1.00 0.00 N ATOM 941 CA VAL A 65 5.154 2.474 -6.511 1.00 0.00 C ATOM 942 C VAL A 65 3.916 1.590 -6.623 1.00 0.00 C ATOM 943 O VAL A 65 2.796 2.087 -6.732 1.00 0.00 O ATOM 944 CB VAL A 65 5.053 3.613 -7.543 1.00 0.00 C ATOM 945 CG1 VAL A 65 6.198 4.598 -7.363 1.00 0.00 C ATOM 946 CG2 VAL A 65 5.040 3.050 -8.956 1.00 0.00 C ATOM 0 H VAL A 65 6.401 1.153 -7.557 1.00 0.00 H new ATOM 0 HA VAL A 65 5.201 2.904 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 65 4.117 4.147 -7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.111 5.396 -8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.157 5.024 -6.361 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.148 4.081 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.968 3.868 -9.673 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.959 2.491 -9.134 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.183 2.387 -9.075 1.00 0.00 H new ATOM 956 N GLU A 66 4.128 0.278 -6.596 1.00 0.00 N ATOM 957 CA GLU A 66 3.029 -0.675 -6.695 1.00 0.00 C ATOM 958 C GLU A 66 3.273 -1.883 -5.796 1.00 0.00 C ATOM 959 O GLU A 66 4.418 -2.239 -5.514 1.00 0.00 O ATOM 960 CB GLU A 66 2.850 -1.132 -8.144 1.00 0.00 C ATOM 961 CG GLU A 66 3.305 -0.104 -9.167 1.00 0.00 C ATOM 962 CD GLU A 66 4.814 -0.027 -9.286 1.00 0.00 C ATOM 963 OE1 GLU A 66 5.508 -0.596 -8.418 1.00 0.00 O ATOM 964 OE2 GLU A 66 5.302 0.603 -10.247 1.00 0.00 O ATOM 0 H GLU A 66 5.050 -0.149 -6.506 1.00 0.00 H new ATOM 0 HA GLU A 66 2.119 -0.176 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.408 -2.056 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.799 -1.363 -8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.880 -0.352 -10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.916 0.876 -8.890 1.00 0.00 H new ATOM 971 N CYS A 67 2.190 -2.508 -5.348 1.00 0.00 N ATOM 972 CA CYS A 67 2.286 -3.676 -4.479 1.00 0.00 C ATOM 973 C CYS A 67 0.957 -4.423 -4.424 1.00 0.00 C ATOM 974 O CYS A 67 -0.011 -4.042 -5.084 1.00 0.00 O ATOM 975 CB CYS A 67 2.707 -3.256 -3.071 1.00 0.00 C ATOM 976 SG CYS A 67 1.384 -2.499 -2.099 1.00 0.00 S ATOM 0 H CYS A 67 1.236 -2.226 -5.572 1.00 0.00 H new ATOM 0 HA CYS A 67 3.041 -4.345 -4.892 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.079 -4.131 -2.539 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.536 -2.552 -3.146 1.00 0.00 H new ATOM 0 HG CYS A 67 1.202 -1.274 -2.494 1.00 0.00 H new ATOM 982 N THR A 68 0.917 -5.491 -3.634 1.00 0.00 N ATOM 983 CA THR A 68 -0.292 -6.294 -3.495 1.00 0.00 C ATOM 984 C THR A 68 -0.549 -6.652 -2.036 1.00 0.00 C ATOM 985 O THR A 68 0.249 -7.346 -1.406 1.00 0.00 O ATOM 986 CB THR A 68 -0.203 -7.591 -4.321 1.00 0.00 C ATOM 987 OG1 THR A 68 0.073 -7.280 -5.692 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.498 -8.383 -4.226 1.00 0.00 C ATOM 0 H THR A 68 1.708 -5.820 -3.080 1.00 0.00 H new ATOM 0 HA THR A 68 -1.118 -5.689 -3.869 1.00 0.00 H new ATOM 0 HB THR A 68 0.606 -8.199 -3.916 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.130 -8.110 -6.211 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.411 -9.295 -4.817 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.690 -8.643 -3.185 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.322 -7.780 -4.608 1.00 0.00 H new ATOM 996 N VAL A 69 -1.669 -6.173 -1.503 1.00 0.00 N ATOM 997 CA VAL A 69 -2.033 -6.444 -0.117 1.00 0.00 C ATOM 998 C VAL A 69 -2.744 -7.787 0.012 1.00 0.00 C ATOM 999 O VAL A 69 -3.392 -8.250 -0.926 1.00 0.00 O ATOM 1000 CB VAL A 69 -2.941 -5.338 0.452 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.150 -5.533 1.946 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.353 -3.965 0.162 1.00 0.00 C ATOM 0 H VAL A 69 -2.340 -5.595 -2.010 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.105 -6.471 0.454 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.913 -5.403 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.794 -4.742 2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.618 -6.501 2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.187 -5.496 2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.007 -3.195 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.368 -3.886 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.262 -3.829 -0.916 1.00 0.00 H new ATOM 1012 N SER A 70 -2.619 -8.407 1.181 1.00 0.00 N ATOM 1013 CA SER A 70 -3.247 -9.698 1.432 1.00 0.00 C ATOM 1014 C SER A 70 -3.634 -9.837 2.902 1.00 0.00 C ATOM 1015 O SER A 70 -3.323 -8.973 3.721 1.00 0.00 O ATOM 1016 CB SER A 70 -2.304 -10.834 1.032 1.00 0.00 C ATOM 1017 OG SER A 70 -1.350 -11.088 2.049 1.00 0.00 O ATOM 0 H SER A 70 -2.088 -8.036 1.969 1.00 0.00 H new ATOM 0 HA SER A 70 -4.153 -9.757 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.881 -11.738 0.837 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.792 -10.576 0.105 1.00 0.00 H new ATOM 0 HG SER A 70 -0.761 -11.819 1.769 1.00 0.00 H new ATOM 1023 N SER A 71 -4.314 -10.932 3.227 1.00 0.00 N ATOM 1024 CA SER A 71 -4.748 -11.184 4.596 1.00 0.00 C ATOM 1025 C SER A 71 -5.910 -10.271 4.975 1.00 0.00 C ATOM 1026 O SER A 71 -6.007 -9.809 6.113 1.00 0.00 O ATOM 1027 CB SER A 71 -3.585 -10.978 5.568 1.00 0.00 C ATOM 1028 OG SER A 71 -3.787 -11.705 6.768 1.00 0.00 O ATOM 0 H SER A 71 -4.576 -11.659 2.561 1.00 0.00 H new ATOM 0 HA SER A 71 -5.086 -12.218 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.654 -11.297 5.099 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.481 -9.917 5.795 1.00 0.00 H new ATOM 0 HG SER A 71 -4.617 -11.407 7.195 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.789 -10.013 4.013 1.00 0.00 N ATOM 1035 CA LEU A 72 -7.946 -9.154 4.243 1.00 0.00 C ATOM 1036 C LEU A 72 -9.237 -9.967 4.239 1.00 0.00 C ATOM 1037 O LEU A 72 -9.220 -11.177 4.009 1.00 0.00 O ATOM 1038 CB LEU A 72 -8.015 -8.061 3.176 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.675 -7.599 2.601 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.894 -6.723 1.377 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -5.870 -6.855 3.655 1.00 0.00 C ATOM 0 H LEU A 72 -6.723 -10.386 3.066 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.834 -8.690 5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.635 -8.421 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.522 -7.196 3.603 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.109 -8.479 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.930 -6.403 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.429 -7.290 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.480 -5.847 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.920 -6.534 3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.430 -5.982 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.682 -7.515 4.502 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.354 -9.295 4.492 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.655 -9.954 4.515 1.00 0.00 C ATOM 1055 C LEU A 73 -12.461 -9.611 3.266 1.00 0.00 C ATOM 1056 O LEU A 73 -12.525 -8.460 2.835 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.434 -9.544 5.767 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.739 -9.804 7.104 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.474 -9.097 8.233 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.649 -11.298 7.377 1.00 0.00 C ATOM 0 H LEU A 73 -10.385 -8.294 4.684 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.489 -11.031 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.659 -8.480 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.387 -10.072 5.767 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.727 -9.404 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.966 -9.293 9.177 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.486 -8.024 8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.498 -9.467 8.289 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.152 -11.464 8.333 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.652 -11.723 7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.079 -11.779 6.583 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.094 -10.633 2.671 1.00 0.00 N ATOM 1073 CA PRO A 74 -13.910 -10.465 1.465 1.00 0.00 C ATOM 1074 C PRO A 74 -15.199 -9.699 1.740 1.00 0.00 C ATOM 1075 O PRO A 74 -15.692 -9.677 2.867 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.222 -11.903 1.044 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.128 -12.695 2.303 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.062 -12.032 3.131 1.00 0.00 C ATOM 0 HA PRO A 74 -13.393 -9.886 0.700 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.215 -11.979 0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.512 -12.260 0.298 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.082 -12.704 2.830 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.870 -13.733 2.093 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.275 -12.109 4.197 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.085 -12.487 2.967 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.741 -9.070 0.701 1.00 0.00 N ATOM 1087 CA GLY A 75 -16.969 -8.311 0.852 1.00 0.00 C ATOM 1088 C GLY A 75 -16.867 -7.252 1.931 1.00 0.00 C ATOM 1089 O GLY A 75 -17.865 -6.897 2.559 1.00 0.00 O ATOM 0 H GLY A 75 -15.352 -9.073 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.218 -7.836 -0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.786 -8.992 1.091 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.658 -6.746 2.149 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.428 -5.722 3.160 1.00 0.00 C ATOM 1095 C LYS A 76 -14.559 -4.597 2.607 1.00 0.00 C ATOM 1096 O LYS A 76 -13.644 -4.835 1.818 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.763 -6.334 4.395 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.628 -7.359 5.107 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.617 -6.695 6.051 1.00 0.00 C ATOM 1100 CE LYS A 76 -16.029 -6.523 7.443 1.00 0.00 C ATOM 1101 NZ LYS A 76 -16.276 -7.715 8.300 1.00 0.00 N ATOM 0 H LYS A 76 -14.822 -7.029 1.638 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.394 -5.305 3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.827 -6.806 4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.510 -5.537 5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.169 -7.954 4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.993 -8.046 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.904 -5.722 5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.525 -7.295 6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.956 -6.348 7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.463 -5.641 7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.860 -7.559 9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.300 -7.868 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.840 -8.553 7.864 1.00 0.00 H new ATOM 1115 N THR A 77 -14.850 -3.369 3.026 1.00 0.00 N ATOM 1116 CA THR A 77 -14.096 -2.207 2.573 1.00 0.00 C ATOM 1117 C THR A 77 -12.860 -1.983 3.437 1.00 0.00 C ATOM 1118 O THR A 77 -12.805 -2.426 4.585 1.00 0.00 O ATOM 1119 CB THR A 77 -14.960 -0.933 2.592 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.131 -1.123 1.789 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.174 0.263 2.076 1.00 0.00 C ATOM 0 H THR A 77 -15.603 -3.154 3.679 1.00 0.00 H new ATOM 0 HA THR A 77 -13.787 -2.411 1.548 1.00 0.00 H new ATOM 0 HB THR A 77 -15.254 -0.736 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.676 -0.309 1.808 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.806 1.151 2.099 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.300 0.423 2.707 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.853 0.073 1.052 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.872 -1.291 2.881 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.637 -1.009 3.601 1.00 0.00 C ATOM 1131 C TYR A 78 -10.039 0.323 3.157 1.00 0.00 C ATOM 1132 O TYR A 78 -9.860 0.569 1.965 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.624 -2.134 3.379 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.891 -3.363 4.218 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.939 -4.223 3.912 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.096 -3.665 5.317 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.187 -5.347 4.676 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.335 -4.787 6.086 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.382 -5.625 5.762 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.625 -6.744 6.525 1.00 0.00 O ATOM 0 H TYR A 78 -11.903 -0.915 1.933 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.873 -0.945 4.663 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.630 -2.415 2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.625 -1.761 3.603 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.570 -4.009 3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.276 -3.010 5.574 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.006 -6.004 4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.706 -5.007 6.936 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.968 -6.795 7.250 1.00 0.00 H new ATOM 1150 N SER A 79 -9.733 1.179 4.127 1.00 0.00 N ATOM 1151 CA SER A 79 -9.158 2.488 3.838 1.00 0.00 C ATOM 1152 C SER A 79 -7.645 2.391 3.666 1.00 0.00 C ATOM 1153 O SER A 79 -6.920 2.082 4.612 1.00 0.00 O ATOM 1154 CB SER A 79 -9.494 3.474 4.958 1.00 0.00 C ATOM 1155 OG SER A 79 -8.524 3.423 5.990 1.00 0.00 O ATOM 0 H SER A 79 -9.874 0.990 5.119 1.00 0.00 H new ATOM 0 HA SER A 79 -9.589 2.849 2.904 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.546 4.485 4.553 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.478 3.243 5.367 1.00 0.00 H new ATOM 0 HG SER A 79 -8.761 4.063 6.693 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.176 2.658 2.452 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.749 2.600 2.154 1.00 0.00 C ATOM 1163 C PHE A 80 -5.144 4.000 2.123 1.00 0.00 C ATOM 1164 O PHE A 80 -5.849 4.989 1.923 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.514 1.900 0.814 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.919 0.454 0.814 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.256 0.095 0.772 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.961 -0.547 0.856 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.631 -1.236 0.773 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.330 -1.879 0.857 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.667 -2.224 0.814 1.00 0.00 C ATOM 0 H PHE A 80 -7.762 2.917 1.659 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.261 2.029 2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.070 2.425 0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.458 1.973 0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -8.014 0.863 0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.914 -0.283 0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.677 -1.503 0.742 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.574 -2.649 0.891 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.958 -3.264 0.812 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.832 4.075 2.323 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.130 5.353 2.320 1.00 0.00 C ATOM 1183 C ARG A 81 -1.745 5.212 1.695 1.00 0.00 C ATOM 1184 O ARG A 81 -1.304 4.105 1.381 1.00 0.00 O ATOM 1185 CB ARG A 81 -3.006 5.895 3.745 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.212 6.701 4.198 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.446 6.561 5.694 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.428 7.260 6.474 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.601 7.641 7.735 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.746 7.393 8.355 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -2.627 8.273 8.378 1.00 0.00 N ATOM 0 H ARG A 81 -3.234 3.266 2.489 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.710 6.055 1.721 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.859 5.060 4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.116 6.521 3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.063 7.752 3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.098 6.367 3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.430 6.956 5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.448 5.505 5.964 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.535 7.467 6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.497 6.908 7.864 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.876 7.687 9.323 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.745 8.467 7.904 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.761 8.565 9.346 1.00 0.00 H new ATOM 1205 N LEU A 82 -1.064 6.339 1.517 1.00 0.00 N ATOM 1206 CA LEU A 82 0.271 6.341 0.930 1.00 0.00 C ATOM 1207 C LEU A 82 1.115 7.477 1.500 1.00 0.00 C ATOM 1208 O LEU A 82 0.602 8.557 1.793 1.00 0.00 O ATOM 1209 CB LEU A 82 0.180 6.472 -0.592 1.00 0.00 C ATOM 1210 CG LEU A 82 1.508 6.633 -1.332 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.372 5.395 -1.154 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.265 6.909 -2.809 1.00 0.00 C ATOM 0 H LEU A 82 -1.414 7.263 1.771 1.00 0.00 H new ATOM 0 HA LEU A 82 0.752 5.395 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.326 5.589 -0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.450 7.330 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 82 2.039 7.485 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.313 5.528 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.575 5.242 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.849 4.526 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.221 7.021 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.713 6.078 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.686 7.826 -2.917 1.00 0.00 H new ATOM 1224 N ARG A 83 2.411 7.225 1.652 1.00 0.00 N ATOM 1225 CA ARG A 83 3.326 8.227 2.186 1.00 0.00 C ATOM 1226 C ARG A 83 4.744 7.996 1.673 1.00 0.00 C ATOM 1227 O ARG A 83 5.242 6.870 1.680 1.00 0.00 O ATOM 1228 CB ARG A 83 3.314 8.195 3.716 1.00 0.00 C ATOM 1229 CG ARG A 83 4.081 7.025 4.307 1.00 0.00 C ATOM 1230 CD ARG A 83 4.213 7.150 5.817 1.00 0.00 C ATOM 1231 NE ARG A 83 4.781 5.947 6.419 1.00 0.00 N ATOM 1232 CZ ARG A 83 5.273 5.904 7.652 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.266 6.992 8.410 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.773 4.771 8.129 1.00 0.00 N ATOM 0 H ARG A 83 2.851 6.336 1.413 1.00 0.00 H new ATOM 0 HA ARG A 83 2.991 9.207 1.847 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.739 9.125 4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.281 8.153 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.571 6.093 4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.073 6.974 3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.843 8.007 6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.232 7.344 6.252 1.00 0.00 H new ATOM 0 HE ARG A 83 4.801 5.093 5.862 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.882 7.864 8.047 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.644 6.957 9.357 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.780 3.932 7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.151 4.739 9.076 1.00 0.00 H new ATOM 1248 N ALA A 84 5.389 9.069 1.228 1.00 0.00 N ATOM 1249 CA ALA A 84 6.749 8.984 0.713 1.00 0.00 C ATOM 1250 C ALA A 84 7.764 9.403 1.771 1.00 0.00 C ATOM 1251 O ALA A 84 7.448 10.172 2.677 1.00 0.00 O ATOM 1252 CB ALA A 84 6.897 9.844 -0.533 1.00 0.00 C ATOM 0 H ALA A 84 4.991 10.008 1.214 1.00 0.00 H new ATOM 0 HA ALA A 84 6.946 7.945 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.918 9.771 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.204 9.496 -1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.674 10.882 -0.287 1.00 0.00 H new ATOM 1258 N ALA A 85 8.985 8.892 1.649 1.00 0.00 N ATOM 1259 CA ALA A 85 10.046 9.214 2.594 1.00 0.00 C ATOM 1260 C ALA A 85 11.344 9.553 1.868 1.00 0.00 C ATOM 1261 O ALA A 85 11.663 8.961 0.838 1.00 0.00 O ATOM 1262 CB ALA A 85 10.265 8.057 3.557 1.00 0.00 C ATOM 0 H ALA A 85 9.263 8.253 0.904 1.00 0.00 H new ATOM 0 HA ALA A 85 9.738 10.092 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.061 8.312 4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.345 7.863 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.547 7.166 2.997 1.00 0.00 H new ATOM 1268 N ASN A 86 12.088 10.511 2.412 1.00 0.00 N ATOM 1269 CA ASN A 86 13.351 10.929 1.814 1.00 0.00 C ATOM 1270 C ASN A 86 14.436 11.070 2.878 1.00 0.00 C ATOM 1271 O ASN A 86 14.213 10.773 4.051 1.00 0.00 O ATOM 1272 CB ASN A 86 13.173 12.256 1.072 1.00 0.00 C ATOM 1273 CG ASN A 86 12.469 13.300 1.916 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.376 13.169 3.137 1.00 0.00 O ATOM 1275 ND2 ASN A 86 11.968 14.345 1.267 1.00 0.00 N ATOM 0 H ASN A 86 11.838 11.012 3.265 1.00 0.00 H new ATOM 0 HA ASN A 86 13.660 10.162 1.104 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.150 12.635 0.771 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.602 12.085 0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.483 15.080 1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.068 14.412 0.254 1.00 0.00 H new ATOM 1282 N LYS A 87 15.611 11.526 2.459 1.00 0.00 N ATOM 1283 CA LYS A 87 16.732 11.709 3.374 1.00 0.00 C ATOM 1284 C LYS A 87 16.280 12.403 4.656 1.00 0.00 C ATOM 1285 O LYS A 87 16.923 12.281 5.698 1.00 0.00 O ATOM 1286 CB LYS A 87 17.838 12.526 2.702 1.00 0.00 C ATOM 1287 CG LYS A 87 17.325 13.748 1.959 1.00 0.00 C ATOM 1288 CD LYS A 87 18.413 14.795 1.791 1.00 0.00 C ATOM 1289 CE LYS A 87 17.841 16.204 1.825 1.00 0.00 C ATOM 1290 NZ LYS A 87 18.601 17.133 0.944 1.00 0.00 N ATOM 0 H LYS A 87 15.812 11.776 1.491 1.00 0.00 H new ATOM 0 HA LYS A 87 17.122 10.725 3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.554 12.846 3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.378 11.886 2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.952 13.449 0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.484 14.179 2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.153 14.682 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.931 14.634 0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.797 16.180 1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.859 16.578 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.600 18.086 1.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.581 16.798 0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.154 17.165 0.006 1.00 0.00 H new ATOM 1304 N MET A 88 15.170 13.129 4.570 1.00 0.00 N ATOM 1305 CA MET A 88 14.632 13.839 5.725 1.00 0.00 C ATOM 1306 C MET A 88 13.821 12.900 6.611 1.00 0.00 C ATOM 1307 O MET A 88 14.126 12.726 7.790 1.00 0.00 O ATOM 1308 CB MET A 88 13.758 15.009 5.268 1.00 0.00 C ATOM 1309 CG MET A 88 14.509 16.044 4.447 1.00 0.00 C ATOM 1310 SD MET A 88 15.818 16.857 5.383 1.00 0.00 S ATOM 1311 CE MET A 88 17.213 15.799 5.005 1.00 0.00 C ATOM 0 H MET A 88 14.626 13.241 3.714 1.00 0.00 H new ATOM 0 HA MET A 88 15.470 14.225 6.306 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.927 14.622 4.678 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.328 15.494 6.144 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.941 15.562 3.570 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.806 16.795 4.085 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.462 15.198 5.880 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.956 15.142 4.174 1.00 0.00 H new ATOM 0 HE3 MET A 88 18.071 16.413 4.730 1.00 0.00 H new ATOM 1321 N GLY A 89 12.785 12.296 6.035 1.00 0.00 N ATOM 1322 CA GLY A 89 11.947 11.382 6.789 1.00 0.00 C ATOM 1323 C GLY A 89 10.658 11.047 6.064 1.00 0.00 C ATOM 1324 O GLY A 89 10.547 11.246 4.854 1.00 0.00 O ATOM 0 H GLY A 89 12.512 12.424 5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.500 10.463 6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.712 11.824 7.757 1.00 0.00 H new ATOM 1328 N PHE A 90 9.681 10.535 6.805 1.00 0.00 N ATOM 1329 CA PHE A 90 8.394 10.168 6.225 1.00 0.00 C ATOM 1330 C PHE A 90 7.386 11.304 6.376 1.00 0.00 C ATOM 1331 O PHE A 90 7.213 11.854 7.463 1.00 0.00 O ATOM 1332 CB PHE A 90 7.853 8.900 6.889 1.00 0.00 C ATOM 1333 CG PHE A 90 8.407 7.633 6.302 1.00 0.00 C ATOM 1334 CD1 PHE A 90 9.597 7.100 6.770 1.00 0.00 C ATOM 1335 CD2 PHE A 90 7.738 6.976 5.283 1.00 0.00 C ATOM 1336 CE1 PHE A 90 10.109 5.935 6.231 1.00 0.00 C ATOM 1337 CE2 PHE A 90 8.245 5.810 4.740 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.432 5.289 5.216 1.00 0.00 C ATOM 0 H PHE A 90 9.756 10.365 7.808 1.00 0.00 H new ATOM 0 HA PHE A 90 8.544 9.977 5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.085 8.930 7.954 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.767 8.888 6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.130 7.600 7.565 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.809 7.379 4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.038 5.530 6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.714 5.308 3.945 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.830 4.378 4.795 1.00 0.00 H new ATOM 1348 N GLY A 91 6.723 11.650 5.277 1.00 0.00 N ATOM 1349 CA GLY A 91 5.742 12.718 5.308 1.00 0.00 C ATOM 1350 C GLY A 91 4.352 12.219 5.649 1.00 0.00 C ATOM 1351 O GLY A 91 4.167 11.083 6.086 1.00 0.00 O ATOM 0 H GLY A 91 6.848 11.209 4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.046 13.465 6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.719 13.214 4.338 1.00 0.00 H new ATOM 1355 N PRO A 92 3.344 13.081 5.450 1.00 0.00 N ATOM 1356 CA PRO A 92 1.946 12.744 5.734 1.00 0.00 C ATOM 1357 C PRO A 92 1.388 11.714 4.757 1.00 0.00 C ATOM 1358 O PRO A 92 1.901 11.552 3.650 1.00 0.00 O ATOM 1359 CB PRO A 92 1.218 14.081 5.574 1.00 0.00 C ATOM 1360 CG PRO A 92 2.075 14.870 4.645 1.00 0.00 C ATOM 1361 CD PRO A 92 3.491 14.452 4.931 1.00 0.00 C ATOM 0 HA PRO A 92 1.828 12.294 6.720 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.217 13.940 5.166 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.103 14.587 6.533 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.811 14.670 3.606 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.944 15.940 4.807 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.107 14.477 4.032 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.964 15.109 5.660 1.00 0.00 H new ATOM 1369 N PHE A 93 0.333 11.021 5.174 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.294 10.006 4.335 1.00 0.00 C ATOM 1371 C PHE A 93 -1.312 10.636 3.389 1.00 0.00 C ATOM 1372 O PHE A 93 -1.859 11.702 3.669 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.975 8.946 5.204 1.00 0.00 C ATOM 1374 CG PHE A 93 -0.090 7.776 5.526 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.259 6.863 4.544 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.393 7.589 6.812 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.073 5.786 4.837 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.208 6.514 7.111 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.547 5.610 6.123 1.00 0.00 C ATOM 0 H PHE A 93 -0.105 11.144 6.087 1.00 0.00 H new ATOM 0 HA PHE A 93 0.485 9.531 3.738 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.306 9.408 6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.867 8.586 4.692 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.110 6.995 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.129 8.291 7.589 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.339 5.082 4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.580 6.381 8.116 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.181 4.767 6.355 1.00 0.00 H new ATOM 1389 N SER A 94 -1.562 9.967 2.268 1.00 0.00 N ATOM 1390 CA SER A 94 -2.511 10.463 1.278 1.00 0.00 C ATOM 1391 C SER A 94 -3.944 10.322 1.781 1.00 0.00 C ATOM 1392 O SER A 94 -4.175 9.933 2.925 1.00 0.00 O ATOM 1393 CB SER A 94 -2.345 9.706 -0.042 1.00 0.00 C ATOM 1394 OG SER A 94 -2.921 8.413 0.036 1.00 0.00 O ATOM 0 H SER A 94 -1.121 9.081 2.023 1.00 0.00 H new ATOM 0 HA SER A 94 -2.305 11.520 1.111 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.814 10.269 -0.849 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.286 9.622 -0.286 1.00 0.00 H new ATOM 0 HG SER A 94 -3.864 8.459 -0.226 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.902 10.642 0.917 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.313 10.552 1.274 1.00 0.00 C ATOM 1402 C GLU A 95 -6.750 9.096 1.405 1.00 0.00 C ATOM 1403 O GLU A 95 -6.569 8.296 0.486 1.00 0.00 O ATOM 1404 CB GLU A 95 -7.173 11.261 0.226 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.932 12.760 0.153 1.00 0.00 C ATOM 1406 CD GLU A 95 -8.104 13.511 -0.448 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -9.057 13.820 0.297 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -8.067 13.790 -1.665 1.00 0.00 O ATOM 0 H GLU A 95 -4.727 10.966 -0.034 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.449 11.042 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.975 10.822 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.225 11.081 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.736 13.142 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.039 12.952 -0.442 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.325 8.758 2.554 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.789 7.399 2.808 1.00 0.00 C ATOM 1417 C LYS A 96 -8.784 6.955 1.740 1.00 0.00 C ATOM 1418 O LYS A 96 -9.959 7.320 1.784 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.436 7.309 4.192 1.00 0.00 C ATOM 1420 CG LYS A 96 -9.406 8.440 4.484 1.00 0.00 C ATOM 1421 CD LYS A 96 -10.518 7.994 5.419 1.00 0.00 C ATOM 1422 CE LYS A 96 -11.655 7.332 4.657 1.00 0.00 C ATOM 1423 NZ LYS A 96 -12.932 7.368 5.423 1.00 0.00 N ATOM 0 H LYS A 96 -7.481 9.407 3.325 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.925 6.735 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.963 6.359 4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.653 7.308 4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.868 9.276 4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.837 8.801 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.118 7.297 6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.900 8.854 5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.792 7.835 3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.392 6.297 4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.682 6.907 4.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.810 6.866 6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.197 8.356 5.609 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.306 6.167 0.784 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.154 5.673 -0.295 1.00 0.00 C ATOM 1439 C CYS A 97 -9.879 4.398 0.124 1.00 0.00 C ATOM 1440 O CYS A 97 -9.258 3.444 0.591 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.319 5.411 -1.549 1.00 0.00 C ATOM 1442 SG CYS A 97 -9.298 5.124 -3.042 1.00 0.00 S ATOM 0 H CYS A 97 -7.336 5.856 0.734 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.899 6.437 -0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.660 6.263 -1.718 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.682 4.544 -1.373 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.503 4.914 -4.049 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.197 4.390 -0.046 1.00 0.00 N ATOM 1449 CA ASP A 98 -12.007 3.233 0.315 1.00 0.00 C ATOM 1450 C ASP A 98 -12.056 2.226 -0.830 1.00 0.00 C ATOM 1451 O ASP A 98 -12.460 2.558 -1.945 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.425 3.672 0.686 1.00 0.00 C ATOM 1453 CG ASP A 98 -14.337 3.764 -0.522 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -14.889 2.720 -0.929 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -14.498 4.879 -1.061 1.00 0.00 O ATOM 0 H ASP A 98 -11.727 5.172 -0.432 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.546 2.753 1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.845 2.966 1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.384 4.642 1.182 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.642 0.996 -0.547 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.639 -0.059 -1.552 1.00 0.00 C ATOM 1462 C ILE A 99 -12.367 -1.301 -1.049 1.00 0.00 C ATOM 1463 O ILE A 99 -11.992 -1.885 -0.032 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.204 -0.448 -1.957 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.505 0.732 -2.636 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.222 -1.660 -2.876 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.070 0.446 -3.018 1.00 0.00 C ATOM 0 H ILE A 99 -11.304 0.705 0.371 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.160 0.336 -2.424 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.647 -0.708 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.063 1.008 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.530 1.592 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.201 -1.922 -3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.685 -2.501 -2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.793 -1.427 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.638 1.326 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.498 0.199 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.039 -0.394 -3.712 1.00 0.00 H new ATOM 1479 N THR A 100 -13.410 -1.701 -1.769 1.00 0.00 N ATOM 1480 CA THR A 100 -14.191 -2.874 -1.397 1.00 0.00 C ATOM 1481 C THR A 100 -13.617 -4.139 -2.025 1.00 0.00 C ATOM 1482 O THR A 100 -13.417 -4.207 -3.238 1.00 0.00 O ATOM 1483 CB THR A 100 -15.664 -2.727 -1.822 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.162 -1.444 -1.426 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.519 -3.822 -1.201 1.00 0.00 C ATOM 0 H THR A 100 -13.734 -1.230 -2.614 1.00 0.00 H new ATOM 0 HA THR A 100 -14.140 -2.955 -0.311 1.00 0.00 H new ATOM 0 HB THR A 100 -15.717 -2.818 -2.907 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.143 -1.373 -0.449 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.555 -3.697 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.156 -4.796 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.460 -3.758 -0.115 1.00 0.00 H new ATOM 1493 N THR A 101 -13.353 -5.141 -1.192 1.00 0.00 N ATOM 1494 CA THR A 101 -12.802 -6.404 -1.665 1.00 0.00 C ATOM 1495 C THR A 101 -13.844 -7.204 -2.439 1.00 0.00 C ATOM 1496 O THR A 101 -15.002 -6.799 -2.538 1.00 0.00 O ATOM 1497 CB THR A 101 -12.277 -7.261 -0.498 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.309 -7.445 0.478 1.00 0.00 O ATOM 1499 CG2 THR A 101 -11.067 -6.606 0.153 1.00 0.00 C ATOM 0 H THR A 101 -13.512 -5.102 -0.185 1.00 0.00 H new ATOM 0 HA THR A 101 -11.972 -6.157 -2.327 1.00 0.00 H new ATOM 0 HB THR A 101 -11.976 -8.231 -0.895 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.904 -7.602 1.356 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.714 -7.229 0.974 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.273 -6.494 -0.585 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.347 -5.625 0.536 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.425 -8.341 -2.985 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.324 -9.198 -3.748 1.00 0.00 C ATOM 1509 C ALA A 102 -15.279 -9.950 -2.827 1.00 0.00 C ATOM 1510 O ALA A 102 -14.949 -10.282 -1.688 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.526 -10.177 -4.596 1.00 0.00 C ATOM 0 H ALA A 102 -12.469 -8.690 -2.913 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.919 -8.564 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.210 -10.811 -5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.889 -9.625 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.906 -10.798 -3.949 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.492 -10.225 -3.328 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.520 -10.940 -2.566 1.00 0.00 C ATOM 1519 C PRO A 103 -17.167 -12.408 -2.353 1.00 0.00 C ATOM 1520 O PRO A 103 -17.948 -13.168 -1.781 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.767 -10.811 -3.444 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.240 -10.625 -4.825 1.00 0.00 C ATOM 1523 CD PRO A 103 -16.954 -9.859 -4.677 1.00 0.00 C ATOM 0 HA PRO A 103 -17.644 -10.530 -1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.393 -11.701 -3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.381 -9.964 -3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.068 -11.586 -5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.951 -10.078 -5.444 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.229 -10.141 -5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.113 -8.785 -4.769 1.00 0.00 H new ATOM 1531 N GLY A 104 -15.985 -12.801 -2.817 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.550 -14.178 -2.667 1.00 0.00 C ATOM 1533 C GLY A 104 -15.937 -15.040 -3.852 1.00 0.00 C ATOM 1534 O GLY A 104 -16.541 -16.100 -3.686 1.00 0.00 O ATOM 0 H GLY A 104 -15.321 -12.191 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.467 -14.202 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.985 -14.597 -1.760 1.00 0.00 H new