USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 674 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 52 SER OG : rot -150:sc= 0 USER MOD Set 1.2: A 58 THR OG1 : rot 130:sc= 0 USER MOD Single : A 9 MET CE :methyl 161:sc= -5.19! (180deg=-6.47!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.905 K(o=-0.9,f=-2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.18) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.127 K(o=-0.13,f=-4.7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.225 K(o=-0.22,f=-2.1) USER MOD Single : A 47 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.1!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.093 USER MOD Single : A 57 LYS NZ :NH3+ 140:sc= 1.51 (180deg=-0.0931) USER MOD Single : A 60 MET CE :methyl 147:sc= -1.9 (180deg=-3.23!) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.446 F(o=-1,f=-0.45) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -130:sc= -0.739 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 80 MET CE :methyl 175:sc= -0.367 (180deg=-0.405) USER MOD Single : A 82 TYR OH : rot 84:sc= -0.316 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 68 N ASP A 8 2.483 8.400 0.931 1.00 0.00 N ATOM 69 CA ASP A 8 1.128 8.921 1.067 1.00 0.00 C ATOM 70 C ASP A 8 0.191 7.857 1.631 1.00 0.00 C ATOM 71 O ASP A 8 -0.936 7.694 1.161 1.00 0.00 O ATOM 72 CB ASP A 8 0.609 9.411 -0.287 1.00 0.00 C ATOM 73 CG ASP A 8 1.113 10.799 -0.631 1.00 0.00 C ATOM 74 OD1 ASP A 8 2.311 10.931 -0.960 1.00 0.00 O ATOM 75 OD2 ASP A 8 0.311 11.754 -0.572 1.00 0.00 O ATOM 0 HA ASP A 8 1.155 9.760 1.762 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.916 8.713 -1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.481 9.416 -0.275 1.00 0.00 H new ATOM 80 N MET A 9 0.664 7.135 2.641 1.00 0.00 N ATOM 81 CA MET A 9 -0.129 6.086 3.270 1.00 0.00 C ATOM 82 C MET A 9 -0.828 6.604 4.524 1.00 0.00 C ATOM 83 O MET A 9 -1.859 6.072 4.935 1.00 0.00 O ATOM 84 CB MET A 9 0.759 4.891 3.625 1.00 0.00 C ATOM 85 CG MET A 9 0.876 3.868 2.506 1.00 0.00 C ATOM 86 SD MET A 9 -0.240 2.469 2.725 1.00 0.00 S ATOM 87 CE MET A 9 -0.060 1.641 1.147 1.00 0.00 C ATOM 0 H MET A 9 1.594 7.258 3.042 1.00 0.00 H new ATOM 0 HA MET A 9 -0.891 5.768 2.559 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.755 5.252 3.882 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.358 4.402 4.513 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.663 4.352 1.553 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.903 3.505 2.457 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.403 0.610 1.236 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.656 2.158 0.395 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.988 1.650 0.849 1.00 0.00 H new ATOM 97 N LYS A 10 -0.260 7.643 5.131 1.00 0.00 N ATOM 98 CA LYS A 10 -0.830 8.230 6.338 1.00 0.00 C ATOM 99 C LYS A 10 -2.278 8.654 6.113 1.00 0.00 C ATOM 100 O LYS A 10 -3.088 8.650 7.039 1.00 0.00 O ATOM 101 CB LYS A 10 0.002 9.436 6.785 1.00 0.00 C ATOM 102 CG LYS A 10 1.465 9.106 7.033 1.00 0.00 C ATOM 103 CD LYS A 10 1.648 8.297 8.308 1.00 0.00 C ATOM 104 CE LYS A 10 2.447 9.065 9.349 1.00 0.00 C ATOM 105 NZ LYS A 10 2.695 8.252 10.571 1.00 0.00 N ATOM 0 H LYS A 10 0.595 8.095 4.806 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.813 7.471 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.063 10.214 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.429 9.846 7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.861 8.546 6.186 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.040 10.029 7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.672 8.036 8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.157 7.361 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.400 9.374 8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.910 9.974 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.242 8.812 11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.786 7.978 10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.230 7.397 10.317 1.00 0.00 H new ATOM 119 N GLN A 11 -2.597 9.019 4.874 1.00 0.00 N ATOM 120 CA GLN A 11 -3.948 9.446 4.528 1.00 0.00 C ATOM 121 C GLN A 11 -4.917 8.268 4.563 1.00 0.00 C ATOM 122 O GLN A 11 -6.082 8.420 4.933 1.00 0.00 O ATOM 123 CB GLN A 11 -3.961 10.091 3.141 1.00 0.00 C ATOM 124 CG GLN A 11 -3.575 9.136 2.023 1.00 0.00 C ATOM 125 CD GLN A 11 -3.482 9.824 0.675 1.00 0.00 C ATOM 126 OE1 GLN A 11 -2.436 10.358 0.308 1.00 0.00 O ATOM 127 NE2 GLN A 11 -4.582 9.815 -0.071 1.00 0.00 N ATOM 0 H GLN A 11 -1.939 9.027 4.095 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.271 10.180 5.266 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.957 10.486 2.942 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.275 10.938 3.137 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.616 8.675 2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.309 8.332 1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.428 9.360 0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.580 10.263 -0.987 1.00 0.00 H new ATOM 136 N LEU A 12 -4.429 7.094 4.177 1.00 0.00 N ATOM 137 CA LEU A 12 -5.253 5.890 4.164 1.00 0.00 C ATOM 138 C LEU A 12 -5.770 5.570 5.562 1.00 0.00 C ATOM 139 O LEU A 12 -5.001 5.518 6.522 1.00 0.00 O ATOM 140 CB LEU A 12 -4.452 4.705 3.619 1.00 0.00 C ATOM 141 CG LEU A 12 -4.492 4.542 2.098 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.208 3.899 1.598 1.00 0.00 C ATOM 143 CD2 LEU A 12 -5.701 3.717 1.683 1.00 0.00 C ATOM 0 H LEU A 12 -3.467 6.950 3.869 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.108 6.071 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.413 4.814 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.828 3.790 4.077 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.579 5.530 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.253 3.791 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.358 4.528 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.090 2.917 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.714 3.611 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.644 2.731 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.613 4.218 2.010 1.00 0.00 H new ATOM 155 N ALA A 13 -7.077 5.356 5.669 1.00 0.00 N ATOM 156 CA ALA A 13 -7.698 5.039 6.950 1.00 0.00 C ATOM 157 C ALA A 13 -7.413 3.598 7.357 1.00 0.00 C ATOM 158 O ALA A 13 -7.168 2.740 6.510 1.00 0.00 O ATOM 159 CB ALA A 13 -9.197 5.285 6.883 1.00 0.00 C ATOM 0 H ALA A 13 -7.727 5.396 4.884 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.267 5.693 7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.649 5.045 7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.384 6.332 6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.635 4.655 6.109 1.00 0.00 H new ATOM 165 N GLU A 14 -7.446 3.339 8.661 1.00 0.00 N ATOM 166 CA GLU A 14 -7.192 2.000 9.182 1.00 0.00 C ATOM 167 C GLU A 14 -8.191 0.996 8.616 1.00 0.00 C ATOM 168 O GLU A 14 -7.822 -0.115 8.236 1.00 0.00 O ATOM 169 CB GLU A 14 -7.263 2.003 10.709 1.00 0.00 C ATOM 170 CG GLU A 14 -6.333 0.995 11.364 1.00 0.00 C ATOM 171 CD GLU A 14 -4.911 1.507 11.485 1.00 0.00 C ATOM 172 OE1 GLU A 14 -4.735 2.690 11.843 1.00 0.00 O ATOM 173 OE2 GLU A 14 -3.974 0.724 11.223 1.00 0.00 O ATOM 0 H GLU A 14 -7.646 4.039 9.376 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.191 1.701 8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.018 3.001 11.074 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.287 1.793 11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.712 0.748 12.356 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.335 0.073 10.783 1.00 0.00 H new ATOM 180 N ASP A 15 -9.458 1.395 8.564 1.00 0.00 N ATOM 181 CA ASP A 15 -10.511 0.531 8.044 1.00 0.00 C ATOM 182 C ASP A 15 -10.236 0.147 6.593 1.00 0.00 C ATOM 183 O ASP A 15 -10.636 -0.925 6.139 1.00 0.00 O ATOM 184 CB ASP A 15 -11.869 1.225 8.152 1.00 0.00 C ATOM 185 CG ASP A 15 -12.213 1.604 9.579 1.00 0.00 C ATOM 186 OD1 ASP A 15 -11.751 0.907 10.506 1.00 0.00 O ATOM 187 OD2 ASP A 15 -12.945 2.599 9.770 1.00 0.00 O ATOM 0 H ASP A 15 -9.780 2.311 8.876 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.527 -0.379 8.644 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.866 2.121 7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.643 0.567 7.757 1.00 0.00 H new ATOM 192 N VAL A 16 -9.551 1.029 5.872 1.00 0.00 N ATOM 193 CA VAL A 16 -9.224 0.781 4.473 1.00 0.00 C ATOM 194 C VAL A 16 -8.167 -0.311 4.343 1.00 0.00 C ATOM 195 O VAL A 16 -8.307 -1.231 3.536 1.00 0.00 O ATOM 196 CB VAL A 16 -8.716 2.060 3.779 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.519 1.819 2.289 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.676 3.215 4.017 1.00 0.00 C ATOM 0 H VAL A 16 -9.212 1.921 6.233 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.142 0.454 3.985 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.751 2.325 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.160 2.734 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.788 1.024 2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.468 1.527 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.300 4.109 3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.657 2.961 3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.760 3.404 5.087 1.00 0.00 H new ATOM 208 N LYS A 17 -7.111 -0.202 5.141 1.00 0.00 N ATOM 209 CA LYS A 17 -6.029 -1.181 5.116 1.00 0.00 C ATOM 210 C LYS A 17 -6.473 -2.501 5.740 1.00 0.00 C ATOM 211 O LYS A 17 -5.952 -3.564 5.401 1.00 0.00 O ATOM 212 CB LYS A 17 -4.806 -0.640 5.858 1.00 0.00 C ATOM 213 CG LYS A 17 -4.187 0.584 5.200 1.00 0.00 C ATOM 214 CD LYS A 17 -4.283 1.812 6.095 1.00 0.00 C ATOM 215 CE LYS A 17 -2.990 2.614 6.087 1.00 0.00 C ATOM 216 NZ LYS A 17 -2.439 2.790 7.459 1.00 0.00 N ATOM 0 H LYS A 17 -6.980 0.554 5.813 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.763 -1.363 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.093 -0.387 6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.054 -1.426 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.141 0.383 4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.691 0.783 4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.106 2.444 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.514 1.503 7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.253 2.110 5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.172 3.592 5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.558 3.341 7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.131 3.294 8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.242 1.858 7.876 1.00 0.00 H new ATOM 230 N LEU A 18 -7.436 -2.427 6.653 1.00 0.00 N ATOM 231 CA LEU A 18 -7.948 -3.616 7.326 1.00 0.00 C ATOM 232 C LEU A 18 -8.475 -4.633 6.316 1.00 0.00 C ATOM 233 O LEU A 18 -8.293 -5.839 6.484 1.00 0.00 O ATOM 234 CB LEU A 18 -9.059 -3.233 8.305 1.00 0.00 C ATOM 235 CG LEU A 18 -8.580 -2.828 9.701 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.744 -2.318 10.537 1.00 0.00 C ATOM 237 CD2 LEU A 18 -7.899 -4.001 10.390 1.00 0.00 C ATOM 0 H LEU A 18 -7.878 -1.555 6.944 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.125 -4.072 7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.629 -2.407 7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.743 -4.076 8.402 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.854 -2.022 9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.385 -2.035 11.526 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.189 -1.450 10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.494 -3.103 10.634 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.564 -3.696 11.382 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.604 -4.827 10.483 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.040 -4.321 9.800 1.00 0.00 H new ATOM 249 N GLN A 19 -9.129 -4.138 5.271 1.00 0.00 N ATOM 250 CA GLN A 19 -9.683 -5.004 4.237 1.00 0.00 C ATOM 251 C GLN A 19 -8.575 -5.608 3.379 1.00 0.00 C ATOM 252 O GLN A 19 -8.703 -6.728 2.882 1.00 0.00 O ATOM 253 CB GLN A 19 -10.656 -4.221 3.355 1.00 0.00 C ATOM 254 CG GLN A 19 -11.799 -3.584 4.127 1.00 0.00 C ATOM 255 CD GLN A 19 -12.581 -2.587 3.296 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.325 -2.964 2.390 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.415 -1.304 3.599 1.00 0.00 N ATOM 0 H GLN A 19 -9.288 -3.142 5.118 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.220 -5.816 4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.107 -3.442 2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.067 -4.890 2.599 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.473 -4.364 4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.401 -3.083 5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.788 -1.036 4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.914 -0.587 3.073 1.00 0.00 H new ATOM 266 N LEU A 20 -7.489 -4.862 3.210 1.00 0.00 N ATOM 267 CA LEU A 20 -6.360 -5.325 2.411 1.00 0.00 C ATOM 268 C LEU A 20 -5.772 -6.608 2.989 1.00 0.00 C ATOM 269 O LEU A 20 -5.242 -7.444 2.257 1.00 0.00 O ATOM 270 CB LEU A 20 -5.282 -4.242 2.340 1.00 0.00 C ATOM 271 CG LEU A 20 -5.400 -3.287 1.151 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.536 -2.054 1.368 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.010 -3.994 -0.139 1.00 0.00 C ATOM 0 H LEU A 20 -7.366 -3.934 3.615 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.722 -5.536 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.314 -3.658 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.305 -4.725 2.303 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.438 -2.966 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.633 -1.386 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.861 -1.536 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.494 -2.355 1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.099 -3.301 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.980 -4.343 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.671 -4.845 -0.301 1.00 0.00 H new ATOM 285 N TYR A 21 -5.869 -6.759 4.306 1.00 0.00 N ATOM 286 CA TYR A 21 -5.345 -7.941 4.981 1.00 0.00 C ATOM 287 C TYR A 21 -6.200 -9.168 4.677 1.00 0.00 C ATOM 288 O TYR A 21 -5.699 -10.291 4.638 1.00 0.00 O ATOM 289 CB TYR A 21 -5.288 -7.709 6.491 1.00 0.00 C ATOM 290 CG TYR A 21 -4.537 -6.455 6.883 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.274 -6.191 6.369 1.00 0.00 C ATOM 292 CD2 TYR A 21 -5.091 -5.539 7.766 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.585 -5.046 6.725 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.409 -4.392 8.126 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.157 -4.150 7.603 1.00 0.00 C ATOM 296 OH TYR A 21 -2.474 -3.011 7.959 1.00 0.00 O ATOM 0 H TYR A 21 -6.306 -6.078 4.927 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.337 -8.122 4.609 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.305 -7.650 6.880 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.815 -8.569 6.965 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.823 -6.891 5.681 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.071 -5.725 8.179 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.603 -4.855 6.317 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.855 -3.689 8.814 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.017 -2.486 8.584 1.00 0.00 H new ATOM 306 N LYS A 22 -7.493 -8.945 4.465 1.00 0.00 N ATOM 307 CA LYS A 22 -8.417 -10.032 4.166 1.00 0.00 C ATOM 308 C LYS A 22 -8.214 -10.550 2.745 1.00 0.00 C ATOM 309 O LYS A 22 -8.443 -11.726 2.464 1.00 0.00 O ATOM 310 CB LYS A 22 -9.863 -9.565 4.348 1.00 0.00 C ATOM 311 CG LYS A 22 -10.321 -9.558 5.797 1.00 0.00 C ATOM 312 CD LYS A 22 -11.255 -8.392 6.080 1.00 0.00 C ATOM 313 CE LYS A 22 -10.998 -7.794 7.455 1.00 0.00 C ATOM 314 NZ LYS A 22 -11.947 -6.689 7.765 1.00 0.00 N ATOM 0 H LYS A 22 -7.924 -8.021 4.495 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.213 -10.847 4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.966 -8.560 3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.521 -10.214 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.829 -10.496 6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.453 -9.498 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.122 -7.625 5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.290 -8.729 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.087 -8.573 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.976 -7.419 7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.739 -6.308 8.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.844 -5.934 7.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.921 -7.052 7.745 1.00 0.00 H new ATOM 328 N LEU A 23 -7.783 -9.663 1.853 1.00 0.00 N ATOM 329 CA LEU A 23 -7.550 -10.031 0.460 1.00 0.00 C ATOM 330 C LEU A 23 -6.255 -10.822 0.314 1.00 0.00 C ATOM 331 O LEU A 23 -6.257 -11.950 -0.178 1.00 0.00 O ATOM 332 CB LEU A 23 -7.500 -8.779 -0.417 1.00 0.00 C ATOM 333 CG LEU A 23 -8.860 -8.152 -0.730 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.711 -6.664 -1.004 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.507 -8.852 -1.916 1.00 0.00 C ATOM 0 H LEU A 23 -7.588 -8.685 2.069 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.376 -10.662 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.878 -8.033 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.009 -9.032 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.506 -8.277 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.688 -6.235 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.289 -6.173 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.049 -6.516 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.474 -8.394 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.863 -8.757 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.648 -9.907 -1.683 1.00 0.00 H new ATOM 347 N LEU A 24 -5.148 -10.222 0.741 1.00 0.00 N ATOM 348 CA LEU A 24 -3.845 -10.870 0.656 1.00 0.00 C ATOM 349 C LEU A 24 -3.841 -12.199 1.406 1.00 0.00 C ATOM 350 O LEU A 24 -3.073 -13.105 1.080 1.00 0.00 O ATOM 351 CB LEU A 24 -2.758 -9.952 1.218 1.00 0.00 C ATOM 352 CG LEU A 24 -2.628 -8.598 0.518 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.808 -7.635 1.362 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.001 -8.769 -0.858 1.00 0.00 C ATOM 0 H LEU A 24 -5.128 -9.288 1.149 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.638 -11.069 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.960 -9.779 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.800 -10.469 1.157 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.626 -8.178 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.727 -6.678 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.297 -7.488 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.811 -8.047 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.916 -7.796 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.010 -9.211 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.628 -9.423 -1.465 1.00 0.00 H new ATOM 366 N GLU A 25 -4.702 -12.309 2.413 1.00 0.00 N ATOM 367 CA GLU A 25 -4.798 -13.529 3.211 1.00 0.00 C ATOM 368 C GLU A 25 -5.060 -14.747 2.327 1.00 0.00 C ATOM 369 O GLU A 25 -4.743 -15.876 2.702 1.00 0.00 O ATOM 370 CB GLU A 25 -5.907 -13.391 4.257 1.00 0.00 C ATOM 371 CG GLU A 25 -5.429 -13.611 5.682 1.00 0.00 C ATOM 372 CD GLU A 25 -6.448 -14.344 6.533 1.00 0.00 C ATOM 373 OE1 GLU A 25 -6.928 -15.411 6.097 1.00 0.00 O ATOM 374 OE2 GLU A 25 -6.765 -13.851 7.636 1.00 0.00 O ATOM 0 H GLU A 25 -5.344 -11.569 2.697 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.844 -13.676 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.347 -12.397 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.698 -14.107 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.499 -14.179 5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.206 -12.647 6.139 1.00 0.00 H new ATOM 381 N ILE A 26 -5.639 -14.513 1.153 1.00 0.00 N ATOM 382 CA ILE A 26 -5.940 -15.592 0.221 1.00 0.00 C ATOM 383 C ILE A 26 -4.657 -16.264 -0.270 1.00 0.00 C ATOM 384 O ILE A 26 -3.864 -15.652 -0.986 1.00 0.00 O ATOM 385 CB ILE A 26 -6.738 -15.080 -0.996 1.00 0.00 C ATOM 386 CG1 ILE A 26 -7.976 -14.310 -0.534 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.136 -16.239 -1.900 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.521 -13.360 -1.579 1.00 0.00 C ATOM 0 H ILE A 26 -5.909 -13.585 0.826 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.547 -16.319 0.761 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.102 -14.403 -1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.755 -15.021 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.729 -13.746 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.698 -15.859 -2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.240 -16.749 -2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.755 -16.940 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.398 -12.848 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.758 -12.626 -1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.800 -13.921 -2.471 1.00 0.00 H new ATOM 400 N PRO A 27 -4.432 -17.537 0.108 1.00 0.00 N ATOM 401 CA PRO A 27 -3.236 -18.280 -0.301 1.00 0.00 C ATOM 402 C PRO A 27 -3.264 -18.656 -1.780 1.00 0.00 C ATOM 403 O PRO A 27 -3.271 -19.835 -2.132 1.00 0.00 O ATOM 404 CB PRO A 27 -3.282 -19.534 0.572 1.00 0.00 C ATOM 405 CG PRO A 27 -4.727 -19.728 0.877 1.00 0.00 C ATOM 406 CD PRO A 27 -5.321 -18.349 0.963 1.00 0.00 C ATOM 0 HA PRO A 27 -2.327 -17.691 -0.176 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.868 -20.396 0.049 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.699 -19.404 1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.215 -20.315 0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.859 -20.269 1.814 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.350 -18.332 0.603 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.336 -17.982 1.989 1.00 0.00 H new ATOM 414 N ASP A 28 -3.280 -17.644 -2.642 1.00 0.00 N ATOM 415 CA ASP A 28 -3.308 -17.867 -4.083 1.00 0.00 C ATOM 416 C ASP A 28 -1.973 -17.486 -4.718 1.00 0.00 C ATOM 417 O ASP A 28 -1.192 -16.733 -4.137 1.00 0.00 O ATOM 418 CB ASP A 28 -4.441 -17.062 -4.722 1.00 0.00 C ATOM 419 CG ASP A 28 -5.722 -17.863 -4.845 1.00 0.00 C ATOM 420 OD1 ASP A 28 -5.636 -19.098 -5.010 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.811 -17.255 -4.774 1.00 0.00 O ATOM 0 H ASP A 28 -3.274 -16.662 -2.367 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.483 -18.928 -4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.630 -16.169 -4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.130 -16.725 -5.711 1.00 0.00 H new ATOM 426 N PRO A 29 -1.693 -18.004 -5.926 1.00 0.00 N ATOM 427 CA PRO A 29 -0.445 -17.714 -6.640 1.00 0.00 C ATOM 428 C PRO A 29 -0.371 -16.266 -7.112 1.00 0.00 C ATOM 429 O PRO A 29 0.712 -15.690 -7.218 1.00 0.00 O ATOM 430 CB PRO A 29 -0.487 -18.665 -7.838 1.00 0.00 C ATOM 431 CG PRO A 29 -1.936 -18.938 -8.054 1.00 0.00 C ATOM 432 CD PRO A 29 -2.569 -18.911 -6.691 1.00 0.00 C ATOM 0 HA PRO A 29 0.428 -17.851 -6.002 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.034 -18.212 -8.720 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.063 -19.584 -7.634 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.382 -18.187 -8.706 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.084 -19.905 -8.534 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.594 -18.541 -6.731 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.606 -19.905 -6.245 1.00 0.00 H new ATOM 440 N ASP A 30 -1.531 -15.681 -7.394 1.00 0.00 N ATOM 441 CA ASP A 30 -1.599 -14.299 -7.855 1.00 0.00 C ATOM 442 C ASP A 30 -2.555 -13.483 -6.990 1.00 0.00 C ATOM 443 O ASP A 30 -3.257 -12.602 -7.485 1.00 0.00 O ATOM 444 CB ASP A 30 -2.047 -14.248 -9.316 1.00 0.00 C ATOM 445 CG ASP A 30 -0.917 -14.561 -10.278 1.00 0.00 C ATOM 446 OD1 ASP A 30 0.189 -14.009 -10.095 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.138 -15.356 -11.215 1.00 0.00 O ATOM 0 H ASP A 30 -2.437 -16.143 -7.311 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.602 -13.866 -7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.859 -14.959 -9.469 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.445 -13.258 -9.537 1.00 0.00 H new ATOM 452 N LYS A 31 -2.576 -13.783 -5.695 1.00 0.00 N ATOM 453 CA LYS A 31 -3.446 -13.077 -4.761 1.00 0.00 C ATOM 454 C LYS A 31 -2.995 -13.302 -3.321 1.00 0.00 C ATOM 455 O LYS A 31 -3.812 -13.326 -2.401 1.00 0.00 O ATOM 456 CB LYS A 31 -4.895 -13.539 -4.932 1.00 0.00 C ATOM 457 CG LYS A 31 -5.678 -12.718 -5.944 1.00 0.00 C ATOM 458 CD LYS A 31 -7.176 -12.912 -5.775 1.00 0.00 C ATOM 459 CE LYS A 31 -7.955 -12.228 -6.887 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.421 -12.459 -6.763 1.00 0.00 N ATOM 0 H LYS A 31 -2.001 -14.510 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.383 -12.011 -4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.901 -14.584 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.400 -13.490 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.431 -11.663 -5.828 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.384 -13.005 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.408 -13.977 -5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.489 -12.512 -4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.753 -11.157 -6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.610 -12.598 -7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.915 -11.976 -7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.617 -13.479 -6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.756 -12.083 -5.853 1.00 0.00 H new ATOM 474 N ASN A 32 -1.689 -13.466 -3.133 1.00 0.00 N ATOM 475 CA ASN A 32 -1.130 -13.689 -1.804 1.00 0.00 C ATOM 476 C ASN A 32 -0.322 -12.480 -1.345 1.00 0.00 C ATOM 477 O ASN A 32 0.130 -11.675 -2.160 1.00 0.00 O ATOM 478 CB ASN A 32 -0.248 -14.938 -1.802 1.00 0.00 C ATOM 479 CG ASN A 32 0.300 -15.257 -0.425 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.506 -15.170 -0.188 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.584 -15.631 0.491 1.00 0.00 N ATOM 0 H ASN A 32 -0.999 -13.449 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.957 -13.836 -1.109 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.826 -15.788 -2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.581 -14.795 -2.496 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.274 -15.860 1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.574 -15.689 0.251 1.00 0.00 H new ATOM 488 N TRP A 33 -0.143 -12.358 -0.033 1.00 0.00 N ATOM 489 CA TRP A 33 0.610 -11.248 0.537 1.00 0.00 C ATOM 490 C TRP A 33 2.052 -11.255 0.037 1.00 0.00 C ATOM 491 O TRP A 33 2.621 -10.205 -0.261 1.00 0.00 O ATOM 492 CB TRP A 33 0.589 -11.321 2.064 1.00 0.00 C ATOM 493 CG TRP A 33 0.909 -12.684 2.598 1.00 0.00 C ATOM 494 CD1 TRP A 33 0.019 -13.666 2.923 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.211 -13.215 2.868 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.688 -14.777 3.380 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.035 -14.524 3.355 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.510 -12.712 2.745 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.107 -15.334 3.720 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.573 -13.517 3.107 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.366 -14.816 3.588 1.00 0.00 C ATOM 0 H TRP A 33 -0.510 -13.015 0.655 1.00 0.00 H new ATOM 0 HA TRP A 33 0.137 -10.319 0.217 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.306 -10.604 2.465 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.396 -11.021 2.421 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -1.054 -13.583 2.834 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.253 -15.647 3.687 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.679 -11.712 2.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.950 -16.335 4.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.580 -13.138 3.018 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.218 -15.421 3.860 1.00 0.00 H new ATOM 512 N ALA A 34 2.636 -12.445 -0.053 1.00 0.00 N ATOM 513 CA ALA A 34 4.010 -12.589 -0.516 1.00 0.00 C ATOM 514 C ALA A 34 4.173 -12.044 -1.931 1.00 0.00 C ATOM 515 O ALA A 34 5.200 -11.453 -2.265 1.00 0.00 O ATOM 516 CB ALA A 34 4.435 -14.049 -0.460 1.00 0.00 C ATOM 0 H ALA A 34 2.178 -13.324 0.189 1.00 0.00 H new ATOM 0 HA ALA A 34 4.653 -12.008 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.464 -14.142 -0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.366 -14.409 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.781 -14.643 -1.098 1.00 0.00 H new ATOM 522 N THR A 35 3.154 -12.247 -2.760 1.00 0.00 N ATOM 523 CA THR A 35 3.185 -11.775 -4.139 1.00 0.00 C ATOM 524 C THR A 35 3.198 -10.251 -4.193 1.00 0.00 C ATOM 525 O THR A 35 3.852 -9.656 -5.051 1.00 0.00 O ATOM 526 CB THR A 35 1.979 -12.314 -4.911 1.00 0.00 C ATOM 527 OG1 THR A 35 1.930 -13.728 -4.842 1.00 0.00 O ATOM 528 CG2 THR A 35 1.982 -11.926 -6.373 1.00 0.00 C ATOM 0 H THR A 35 2.297 -12.735 -2.500 1.00 0.00 H new ATOM 0 HA THR A 35 4.100 -12.144 -4.603 1.00 0.00 H new ATOM 0 HB THR A 35 1.108 -11.865 -4.434 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.151 -14.053 -5.340 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.100 -12.340 -6.861 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.969 -10.840 -6.461 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.879 -12.318 -6.852 1.00 0.00 H new ATOM 536 N LEU A 36 2.473 -9.624 -3.273 1.00 0.00 N ATOM 537 CA LEU A 36 2.402 -8.169 -3.215 1.00 0.00 C ATOM 538 C LEU A 36 3.719 -7.578 -2.722 1.00 0.00 C ATOM 539 O LEU A 36 4.092 -6.467 -3.099 1.00 0.00 O ATOM 540 CB LEU A 36 1.257 -7.729 -2.300 1.00 0.00 C ATOM 541 CG LEU A 36 0.951 -6.231 -2.319 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.337 -5.829 -3.652 1.00 0.00 C ATOM 543 CD2 LEU A 36 0.024 -5.863 -1.171 1.00 0.00 C ATOM 0 H LEU A 36 1.926 -10.101 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 36 2.215 -7.799 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.356 -8.272 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.496 -8.022 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 36 1.887 -5.686 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.126 -4.760 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.035 -6.058 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.590 -6.381 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.183 -4.793 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.910 -6.416 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.500 -6.115 -0.224 1.00 0.00 H new ATOM 555 N ALA A 37 4.419 -8.328 -1.878 1.00 0.00 N ATOM 556 CA ALA A 37 5.694 -7.878 -1.333 1.00 0.00 C ATOM 557 C ALA A 37 6.698 -7.594 -2.445 1.00 0.00 C ATOM 558 O ALA A 37 7.379 -6.569 -2.434 1.00 0.00 O ATOM 559 CB ALA A 37 6.251 -8.916 -0.369 1.00 0.00 C ATOM 0 H ALA A 37 4.125 -9.250 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 37 5.521 -6.949 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.203 -8.567 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.547 -9.067 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.402 -9.858 -0.896 1.00 0.00 H new ATOM 565 N GLN A 38 6.783 -8.509 -3.405 1.00 0.00 N ATOM 566 CA GLN A 38 7.704 -8.357 -4.526 1.00 0.00 C ATOM 567 C GLN A 38 7.329 -7.148 -5.378 1.00 0.00 C ATOM 568 O GLN A 38 8.188 -6.353 -5.757 1.00 0.00 O ATOM 569 CB GLN A 38 7.707 -9.622 -5.386 1.00 0.00 C ATOM 570 CG GLN A 38 8.766 -10.633 -4.980 1.00 0.00 C ATOM 571 CD GLN A 38 9.441 -11.281 -6.172 1.00 0.00 C ATOM 572 OE1 GLN A 38 10.646 -11.131 -6.375 1.00 0.00 O ATOM 573 NE2 GLN A 38 8.666 -12.007 -6.968 1.00 0.00 N ATOM 0 H GLN A 38 6.226 -9.363 -3.429 1.00 0.00 H new ATOM 0 HA GLN A 38 8.704 -8.198 -4.123 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.726 -10.093 -5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.864 -9.342 -6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.518 -10.138 -4.366 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.308 -11.405 -4.362 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.672 -12.104 -6.762 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.065 -12.468 -7.786 1.00 0.00 H new ATOM 582 N LYS A 39 6.040 -7.017 -5.674 1.00 0.00 N ATOM 583 CA LYS A 39 5.551 -5.905 -6.481 1.00 0.00 C ATOM 584 C LYS A 39 5.861 -4.570 -5.812 1.00 0.00 C ATOM 585 O LYS A 39 6.394 -3.657 -6.441 1.00 0.00 O ATOM 586 CB LYS A 39 4.044 -6.040 -6.711 1.00 0.00 C ATOM 587 CG LYS A 39 3.686 -6.657 -8.053 1.00 0.00 C ATOM 588 CD LYS A 39 4.058 -8.130 -8.106 1.00 0.00 C ATOM 589 CE LYS A 39 4.381 -8.572 -9.524 1.00 0.00 C ATOM 590 NZ LYS A 39 5.845 -8.538 -9.797 1.00 0.00 N ATOM 0 H LYS A 39 5.316 -7.667 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 39 6.061 -5.933 -7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.617 -6.649 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.584 -5.054 -6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.617 -6.544 -8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.202 -6.121 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.918 -8.313 -7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.235 -8.729 -7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.005 -9.583 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.865 -7.924 -10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.023 -8.846 -10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.199 -7.569 -9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.336 -9.175 -9.138 1.00 0.00 H new ATOM 604 N LEU A 40 5.522 -4.464 -4.531 1.00 0.00 N ATOM 605 CA LEU A 40 5.766 -3.240 -3.775 1.00 0.00 C ATOM 606 C LEU A 40 7.261 -2.994 -3.605 1.00 0.00 C ATOM 607 O LEU A 40 7.793 -1.991 -4.080 1.00 0.00 O ATOM 608 CB LEU A 40 5.090 -3.320 -2.404 1.00 0.00 C ATOM 609 CG LEU A 40 3.562 -3.273 -2.433 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.002 -3.318 -1.020 1.00 0.00 C ATOM 611 CD2 LEU A 40 3.081 -2.027 -3.160 1.00 0.00 C ATOM 0 H LEU A 40 5.078 -5.210 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 40 5.341 -2.406 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.401 -4.244 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.452 -2.497 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 40 3.200 -4.147 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.913 -3.284 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.319 -4.240 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.372 -2.463 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.991 -2.010 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.453 -1.140 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.454 -2.036 -4.184 1.00 0.00 H new ATOM 623 N GLY A 41 7.933 -3.916 -2.923 1.00 0.00 N ATOM 624 CA GLY A 41 9.360 -3.780 -2.703 1.00 0.00 C ATOM 625 C GLY A 41 9.784 -4.267 -1.330 1.00 0.00 C ATOM 626 O GLY A 41 10.569 -3.610 -0.646 1.00 0.00 O ATOM 0 H GLY A 41 7.515 -4.754 -2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.898 -4.342 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.644 -2.734 -2.818 1.00 0.00 H new ATOM 630 N LEU A 42 9.264 -5.422 -0.927 1.00 0.00 N ATOM 631 CA LEU A 42 9.593 -5.997 0.372 1.00 0.00 C ATOM 632 C LEU A 42 9.921 -7.481 0.243 1.00 0.00 C ATOM 633 O LEU A 42 9.699 -8.258 1.171 1.00 0.00 O ATOM 634 CB LEU A 42 8.432 -5.803 1.348 1.00 0.00 C ATOM 635 CG LEU A 42 8.367 -4.425 2.010 1.00 0.00 C ATOM 636 CD1 LEU A 42 7.100 -4.292 2.842 1.00 0.00 C ATOM 637 CD2 LEU A 42 9.599 -4.190 2.871 1.00 0.00 C ATOM 0 H LEU A 42 8.613 -5.978 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 42 10.472 -5.481 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.497 -5.978 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.502 -6.561 2.128 1.00 0.00 H new ATOM 0 HG LEU A 42 8.344 -3.667 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.071 -3.306 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.228 -4.417 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.092 -5.058 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.537 -3.205 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.652 -4.954 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.493 -4.242 2.249 1.00 0.00 H new ATOM 649 N GLY A 43 10.449 -7.868 -0.914 1.00 0.00 N ATOM 650 CA GLY A 43 10.799 -9.257 -1.142 1.00 0.00 C ATOM 651 C GLY A 43 11.901 -9.738 -0.218 1.00 0.00 C ATOM 652 O GLY A 43 11.999 -10.930 0.074 1.00 0.00 O ATOM 0 H GLY A 43 10.641 -7.244 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.915 -9.879 -1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.116 -9.383 -2.177 1.00 0.00 H new ATOM 656 N ILE A 44 12.734 -8.810 0.241 1.00 0.00 N ATOM 657 CA ILE A 44 13.835 -9.145 1.136 1.00 0.00 C ATOM 658 C ILE A 44 13.320 -9.530 2.519 1.00 0.00 C ATOM 659 O ILE A 44 13.903 -10.375 3.198 1.00 0.00 O ATOM 660 CB ILE A 44 14.827 -7.972 1.270 1.00 0.00 C ATOM 661 CG1 ILE A 44 16.040 -8.388 2.106 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.140 -6.761 1.886 1.00 0.00 C ATOM 663 CD1 ILE A 44 17.252 -8.745 1.273 1.00 0.00 C ATOM 0 H ILE A 44 12.667 -7.819 0.008 1.00 0.00 H new ATOM 0 HA ILE A 44 14.354 -9.997 0.697 1.00 0.00 H new ATOM 0 HB ILE A 44 15.175 -7.699 0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.301 -7.575 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.769 -9.244 2.725 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.855 -5.943 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.310 -6.452 1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.763 -7.021 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 44 18.074 -9.030 1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 44 17.008 -9.579 0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.548 -7.884 0.674 1.00 0.00 H new ATOM 675 N LEU A 45 12.222 -8.903 2.933 1.00 0.00 N ATOM 676 CA LEU A 45 11.629 -9.180 4.236 1.00 0.00 C ATOM 677 C LEU A 45 10.442 -10.130 4.109 1.00 0.00 C ATOM 678 O LEU A 45 9.526 -10.107 4.930 1.00 0.00 O ATOM 679 CB LEU A 45 11.185 -7.878 4.903 1.00 0.00 C ATOM 680 CG LEU A 45 12.320 -6.947 5.330 1.00 0.00 C ATOM 681 CD1 LEU A 45 11.893 -5.493 5.211 1.00 0.00 C ATOM 682 CD2 LEU A 45 12.758 -7.261 6.753 1.00 0.00 C ATOM 0 H LEU A 45 11.726 -8.200 2.385 1.00 0.00 H new ATOM 0 HA LEU A 45 12.387 -9.660 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.534 -7.339 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.588 -8.123 5.781 1.00 0.00 H new ATOM 0 HG LEU A 45 13.168 -7.110 4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.714 -4.846 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.628 -5.275 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.030 -5.314 5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.567 -6.589 7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.915 -7.127 7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.106 -8.292 6.807 1.00 0.00 H new ATOM 694 N ASN A 46 10.464 -10.965 3.074 1.00 0.00 N ATOM 695 CA ASN A 46 9.388 -11.922 2.842 1.00 0.00 C ATOM 696 C ASN A 46 9.394 -13.015 3.906 1.00 0.00 C ATOM 697 O ASN A 46 8.343 -13.399 4.421 1.00 0.00 O ATOM 698 CB ASN A 46 9.523 -12.546 1.451 1.00 0.00 C ATOM 699 CG ASN A 46 8.180 -12.747 0.776 1.00 0.00 C ATOM 700 OD1 ASN A 46 7.150 -12.864 1.439 1.00 0.00 O ATOM 701 ND2 ASN A 46 8.186 -12.788 -0.551 1.00 0.00 N ATOM 0 H ASN A 46 11.214 -10.998 2.384 1.00 0.00 H new ATOM 0 HA ASN A 46 8.440 -11.387 2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.148 -11.906 0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.032 -13.506 1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.313 -12.921 -1.061 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.064 -12.687 -1.060 1.00 0.00 H new ATOM 708 N ASN A 47 10.582 -13.513 4.230 1.00 0.00 N ATOM 709 CA ASN A 47 10.724 -14.562 5.232 1.00 0.00 C ATOM 710 C ASN A 47 10.319 -14.056 6.613 1.00 0.00 C ATOM 711 O ASN A 47 9.818 -14.815 7.441 1.00 0.00 O ATOM 712 CB ASN A 47 12.166 -15.072 5.266 1.00 0.00 C ATOM 713 CG ASN A 47 12.561 -15.775 3.983 1.00 0.00 C ATOM 714 OD1 ASN A 47 12.404 -15.232 2.889 1.00 0.00 O ATOM 715 ND2 ASN A 47 13.078 -16.992 4.110 1.00 0.00 N ATOM 0 H ASN A 47 11.461 -13.207 3.813 1.00 0.00 H new ATOM 0 HA ASN A 47 10.061 -15.383 4.958 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.841 -14.234 5.440 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.286 -15.758 6.105 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.363 -17.514 3.281 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.190 -17.404 5.036 1.00 0.00 H new ATOM 722 N ALA A 48 10.541 -12.767 6.852 1.00 0.00 N ATOM 723 CA ALA A 48 10.199 -12.159 8.132 1.00 0.00 C ATOM 724 C ALA A 48 8.695 -12.210 8.380 1.00 0.00 C ATOM 725 O ALA A 48 8.246 -12.604 9.457 1.00 0.00 O ATOM 726 CB ALA A 48 10.696 -10.722 8.183 1.00 0.00 C ATOM 0 H ALA A 48 10.956 -12.125 6.177 1.00 0.00 H new ATOM 0 HA ALA A 48 10.690 -12.730 8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.434 -10.280 9.144 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.779 -10.707 8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.232 -10.148 7.381 1.00 0.00 H new ATOM 732 N PHE A 49 7.921 -11.806 7.377 1.00 0.00 N ATOM 733 CA PHE A 49 6.466 -11.806 7.487 1.00 0.00 C ATOM 734 C PHE A 49 5.930 -13.227 7.623 1.00 0.00 C ATOM 735 O PHE A 49 4.944 -13.465 8.319 1.00 0.00 O ATOM 736 CB PHE A 49 5.843 -11.129 6.265 1.00 0.00 C ATOM 737 CG PHE A 49 6.461 -9.800 5.934 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.632 -8.838 6.917 1.00 0.00 C ATOM 739 CD2 PHE A 49 6.869 -9.513 4.642 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.201 -7.614 6.616 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.437 -8.292 4.334 1.00 0.00 C ATOM 742 CZ PHE A 49 7.604 -7.341 5.323 1.00 0.00 C ATOM 0 H PHE A 49 8.276 -11.475 6.480 1.00 0.00 H new ATOM 0 HA PHE A 49 6.194 -11.248 8.383 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.941 -11.790 5.404 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.776 -10.991 6.441 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.318 -9.047 7.929 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.742 -10.253 3.866 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.330 -6.873 7.391 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.750 -8.081 3.322 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.049 -6.386 5.085 1.00 0.00 H new ATOM 752 N ARG A 50 6.585 -14.168 6.950 1.00 0.00 N ATOM 753 CA ARG A 50 6.174 -15.567 6.995 1.00 0.00 C ATOM 754 C ARG A 50 6.197 -16.097 8.425 1.00 0.00 C ATOM 755 O ARG A 50 5.379 -16.937 8.800 1.00 0.00 O ATOM 756 CB ARG A 50 7.086 -16.416 6.108 1.00 0.00 C ATOM 757 CG ARG A 50 6.490 -17.762 5.732 1.00 0.00 C ATOM 758 CD ARG A 50 7.562 -18.831 5.604 1.00 0.00 C ATOM 759 NE ARG A 50 8.386 -18.926 6.807 1.00 0.00 N ATOM 760 CZ ARG A 50 9.465 -19.699 6.907 1.00 0.00 C ATOM 761 NH1 ARG A 50 9.854 -20.445 5.879 1.00 0.00 N ATOM 762 NH2 ARG A 50 10.159 -19.726 8.037 1.00 0.00 N ATOM 0 H ARG A 50 7.402 -13.987 6.367 1.00 0.00 H new ATOM 0 HA ARG A 50 5.152 -15.632 6.621 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.312 -15.861 5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.032 -16.579 6.625 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.763 -18.063 6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.951 -17.671 4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.092 -19.795 5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.197 -18.607 4.746 1.00 0.00 H new ATOM 0 HE ARG A 50 8.119 -18.367 7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.325 -20.427 5.007 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.682 -21.035 5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.866 -19.154 8.829 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.986 -20.318 8.114 1.00 0.00 H new ATOM 776 N LEU A 51 7.142 -15.601 9.219 1.00 0.00 N ATOM 777 CA LEU A 51 7.272 -16.026 10.608 1.00 0.00 C ATOM 778 C LEU A 51 6.171 -15.414 11.469 1.00 0.00 C ATOM 779 O LEU A 51 5.683 -16.042 12.408 1.00 0.00 O ATOM 780 CB LEU A 51 8.644 -15.632 11.157 1.00 0.00 C ATOM 781 CG LEU A 51 9.780 -16.595 10.811 1.00 0.00 C ATOM 782 CD1 LEU A 51 11.128 -15.969 11.138 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.607 -17.911 11.554 1.00 0.00 C ATOM 0 H LEU A 51 7.828 -14.906 8.924 1.00 0.00 H new ATOM 0 HA LEU A 51 7.173 -17.111 10.641 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.899 -14.642 10.779 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.575 -15.551 12.242 1.00 0.00 H new ATOM 0 HG LEU A 51 9.747 -16.798 9.741 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.925 -16.668 10.885 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.253 -15.053 10.561 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.173 -15.737 12.202 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.424 -18.585 11.296 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.614 -17.726 12.628 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.658 -18.367 11.271 1.00 0.00 H new ATOM 795 N SER A 52 5.786 -14.184 11.142 1.00 0.00 N ATOM 796 CA SER A 52 4.744 -13.487 11.886 1.00 0.00 C ATOM 797 C SER A 52 3.407 -14.215 11.761 1.00 0.00 C ATOM 798 O SER A 52 3.193 -14.980 10.821 1.00 0.00 O ATOM 799 CB SER A 52 4.604 -12.050 11.382 1.00 0.00 C ATOM 800 OG SER A 52 5.652 -11.232 11.874 1.00 0.00 O ATOM 0 H SER A 52 6.180 -13.650 10.367 1.00 0.00 H new ATOM 0 HA SER A 52 5.031 -13.470 12.937 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.613 -12.041 10.292 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.643 -11.643 11.696 1.00 0.00 H new ATOM 0 HG SER A 52 5.332 -10.310 11.966 1.00 0.00 H new ATOM 806 N PRO A 53 2.486 -13.982 12.712 1.00 0.00 N ATOM 807 CA PRO A 53 1.164 -14.617 12.702 1.00 0.00 C ATOM 808 C PRO A 53 0.320 -14.175 11.512 1.00 0.00 C ATOM 809 O PRO A 53 -0.466 -14.953 10.972 1.00 0.00 O ATOM 810 CB PRO A 53 0.526 -14.148 14.015 1.00 0.00 C ATOM 811 CG PRO A 53 1.254 -12.898 14.369 1.00 0.00 C ATOM 812 CD PRO A 53 2.657 -13.082 13.866 1.00 0.00 C ATOM 0 HA PRO A 53 1.236 -15.701 12.615 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.541 -13.962 13.892 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.630 -14.901 14.796 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.785 -12.029 13.908 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.244 -12.732 15.446 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.107 -12.134 13.574 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.303 -13.521 14.626 1.00 0.00 H new ATOM 820 N ALA A 54 0.490 -12.921 11.107 1.00 0.00 N ATOM 821 CA ALA A 54 -0.253 -12.374 9.979 1.00 0.00 C ATOM 822 C ALA A 54 0.671 -11.619 9.028 1.00 0.00 C ATOM 823 O ALA A 54 0.835 -10.405 9.139 1.00 0.00 O ATOM 824 CB ALA A 54 -1.365 -11.460 10.474 1.00 0.00 C ATOM 0 H ALA A 54 1.137 -12.264 11.544 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.697 -13.204 9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.912 -11.058 9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.047 -12.027 11.108 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.933 -10.640 11.048 1.00 0.00 H new ATOM 830 N PRO A 55 1.292 -12.334 8.073 1.00 0.00 N ATOM 831 CA PRO A 55 2.205 -11.728 7.099 1.00 0.00 C ATOM 832 C PRO A 55 1.593 -10.515 6.406 1.00 0.00 C ATOM 833 O PRO A 55 2.237 -9.474 6.273 1.00 0.00 O ATOM 834 CB PRO A 55 2.447 -12.853 6.091 1.00 0.00 C ATOM 835 CG PRO A 55 2.225 -14.107 6.864 1.00 0.00 C ATOM 836 CD PRO A 55 1.152 -13.789 7.870 1.00 0.00 C ATOM 0 HA PRO A 55 3.115 -11.357 7.571 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.762 -12.782 5.246 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.458 -12.811 5.686 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.916 -14.920 6.208 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.142 -14.428 7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.162 -14.049 7.496 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.297 -14.340 8.799 1.00 0.00 H new ATOM 844 N SER A 56 0.348 -10.657 5.966 1.00 0.00 N ATOM 845 CA SER A 56 -0.351 -9.573 5.285 1.00 0.00 C ATOM 846 C SER A 56 -0.472 -8.350 6.189 1.00 0.00 C ATOM 847 O SER A 56 -0.481 -7.214 5.714 1.00 0.00 O ATOM 848 CB SER A 56 -1.741 -10.033 4.842 1.00 0.00 C ATOM 849 OG SER A 56 -2.228 -11.066 5.680 1.00 0.00 O ATOM 0 H SER A 56 -0.198 -11.512 6.069 1.00 0.00 H new ATOM 0 HA SER A 56 0.230 -9.296 4.405 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.430 -9.189 4.862 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.699 -10.386 3.812 1.00 0.00 H new ATOM 0 HG SER A 56 -3.118 -11.341 5.377 1.00 0.00 H new ATOM 855 N LYS A 57 -0.564 -8.590 7.493 1.00 0.00 N ATOM 856 CA LYS A 57 -0.685 -7.508 8.462 1.00 0.00 C ATOM 857 C LYS A 57 0.673 -6.870 8.738 1.00 0.00 C ATOM 858 O LYS A 57 0.762 -5.675 9.023 1.00 0.00 O ATOM 859 CB LYS A 57 -1.290 -8.031 9.767 1.00 0.00 C ATOM 860 CG LYS A 57 -1.907 -6.943 10.631 1.00 0.00 C ATOM 861 CD LYS A 57 -2.955 -7.509 11.576 1.00 0.00 C ATOM 862 CE LYS A 57 -4.364 -7.174 11.113 1.00 0.00 C ATOM 863 NZ LYS A 57 -4.709 -7.863 9.839 1.00 0.00 N ATOM 0 H LYS A 57 -0.557 -9.524 7.902 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.344 -6.749 8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.053 -8.773 9.532 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.514 -8.541 10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.126 -6.448 11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.362 -6.185 9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.840 -8.591 11.642 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.796 -7.110 12.578 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.078 -7.461 11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.455 -6.096 10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.693 -8.196 9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.601 -7.200 9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.074 -8.675 9.701 1.00 0.00 H new ATOM 877 N THR A 58 1.727 -7.673 8.654 1.00 0.00 N ATOM 878 CA THR A 58 3.081 -7.188 8.895 1.00 0.00 C ATOM 879 C THR A 58 3.624 -6.453 7.674 1.00 0.00 C ATOM 880 O THR A 58 4.436 -5.537 7.799 1.00 0.00 O ATOM 881 CB THR A 58 4.005 -8.352 9.256 1.00 0.00 C ATOM 882 OG1 THR A 58 3.301 -9.346 9.979 1.00 0.00 O ATOM 883 CG2 THR A 58 5.196 -7.935 10.092 1.00 0.00 C ATOM 0 H THR A 58 1.670 -8.664 8.421 1.00 0.00 H new ATOM 0 HA THR A 58 3.045 -6.488 9.730 1.00 0.00 H new ATOM 0 HB THR A 58 4.367 -8.738 8.303 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.464 -10.223 9.573 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.810 -8.809 10.312 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.789 -7.204 9.542 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.848 -7.491 11.025 1.00 0.00 H new ATOM 891 N LEU A 59 3.170 -6.861 6.492 1.00 0.00 N ATOM 892 CA LEU A 59 3.610 -6.241 5.248 1.00 0.00 C ATOM 893 C LEU A 59 3.289 -4.749 5.238 1.00 0.00 C ATOM 894 O LEU A 59 4.186 -3.912 5.138 1.00 0.00 O ATOM 895 CB LEU A 59 2.948 -6.925 4.051 1.00 0.00 C ATOM 896 CG LEU A 59 3.618 -6.662 2.702 1.00 0.00 C ATOM 897 CD1 LEU A 59 5.029 -7.229 2.687 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.790 -7.258 1.573 1.00 0.00 C ATOM 0 H LEU A 59 2.498 -7.618 6.371 1.00 0.00 H new ATOM 0 HA LEU A 59 4.691 -6.361 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.934 -8.000 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.910 -6.598 3.994 1.00 0.00 H new ATOM 0 HG LEU A 59 3.681 -5.584 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.490 -7.032 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.619 -6.757 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.991 -8.305 2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.280 -7.062 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.697 -8.334 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.799 -6.805 1.571 1.00 0.00 H new ATOM 910 N MET A 60 2.005 -4.425 5.341 1.00 0.00 N ATOM 911 CA MET A 60 1.566 -3.034 5.343 1.00 0.00 C ATOM 912 C MET A 60 2.174 -2.274 6.518 1.00 0.00 C ATOM 913 O MET A 60 2.446 -1.077 6.421 1.00 0.00 O ATOM 914 CB MET A 60 0.040 -2.959 5.406 1.00 0.00 C ATOM 915 CG MET A 60 -0.654 -3.732 4.297 1.00 0.00 C ATOM 916 SD MET A 60 -0.595 -2.875 2.711 1.00 0.00 S ATOM 917 CE MET A 60 -1.214 -4.148 1.614 1.00 0.00 C ATOM 0 H MET A 60 1.250 -5.106 5.424 1.00 0.00 H new ATOM 0 HA MET A 60 1.907 -2.570 4.418 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.295 -3.343 6.370 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.266 -1.914 5.356 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.186 -4.711 4.194 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.694 -3.903 4.575 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.776 -3.687 0.802 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.377 -4.712 1.202 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.867 -4.821 2.170 1.00 0.00 H new ATOM 927 N ASP A 61 2.383 -2.977 7.627 1.00 0.00 N ATOM 928 CA ASP A 61 2.959 -2.368 8.820 1.00 0.00 C ATOM 929 C ASP A 61 4.434 -2.046 8.607 1.00 0.00 C ATOM 930 O ASP A 61 4.940 -1.043 9.110 1.00 0.00 O ATOM 931 CB ASP A 61 2.797 -3.300 10.023 1.00 0.00 C ATOM 932 CG ASP A 61 1.573 -2.966 10.853 1.00 0.00 C ATOM 933 OD1 ASP A 61 0.472 -2.868 10.273 1.00 0.00 O ATOM 934 OD2 ASP A 61 1.718 -2.802 12.083 1.00 0.00 O ATOM 0 H ASP A 61 2.162 -3.968 7.724 1.00 0.00 H new ATOM 0 HA ASP A 61 2.427 -1.437 9.016 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.726 -4.330 9.674 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.686 -3.237 10.650 1.00 0.00 H new ATOM 939 N ASN A 62 5.117 -2.903 7.857 1.00 0.00 N ATOM 940 CA ASN A 62 6.535 -2.711 7.575 1.00 0.00 C ATOM 941 C ASN A 62 6.731 -1.804 6.365 1.00 0.00 C ATOM 942 O ASN A 62 7.713 -1.066 6.281 1.00 0.00 O ATOM 943 CB ASN A 62 7.213 -4.060 7.331 1.00 0.00 C ATOM 944 CG ASN A 62 7.680 -4.713 8.617 1.00 0.00 C ATOM 945 OD1 ASN A 62 6.750 -4.947 9.534 1.00 0.00 O flip ATOM 946 ND2 ASN A 62 8.866 -5.004 8.783 1.00 0.00 N flip ATOM 0 H ASN A 62 4.712 -3.738 7.433 1.00 0.00 H new ATOM 0 HA ASN A 62 6.992 -2.233 8.442 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.518 -4.726 6.820 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.066 -3.920 6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.547 -4.806 8.050 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.166 -5.443 9.653 1.00 0.00 H new ATOM 953 N TYR A 63 5.789 -1.864 5.428 1.00 0.00 N ATOM 954 CA TYR A 63 5.857 -1.049 4.222 1.00 0.00 C ATOM 955 C TYR A 63 5.534 0.409 4.532 1.00 0.00 C ATOM 956 O TYR A 63 6.054 1.321 3.888 1.00 0.00 O ATOM 957 CB TYR A 63 4.890 -1.584 3.165 1.00 0.00 C ATOM 958 CG TYR A 63 5.157 -1.054 1.774 1.00 0.00 C ATOM 959 CD1 TYR A 63 6.451 -0.987 1.271 1.00 0.00 C ATOM 960 CD2 TYR A 63 4.116 -0.621 0.963 1.00 0.00 C ATOM 961 CE1 TYR A 63 6.699 -0.503 0.001 1.00 0.00 C ATOM 962 CE2 TYR A 63 4.355 -0.137 -0.309 1.00 0.00 C ATOM 963 CZ TYR A 63 5.649 -0.080 -0.785 1.00 0.00 C ATOM 964 OH TYR A 63 5.891 0.402 -2.051 1.00 0.00 O ATOM 0 H TYR A 63 4.970 -2.469 5.482 1.00 0.00 H new ATOM 0 HA TYR A 63 6.874 -1.102 3.834 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.950 -2.672 3.148 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.871 -1.326 3.453 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.276 -1.319 1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.102 -0.663 1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.711 -0.456 -0.374 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.534 0.195 -0.927 1.00 0.00 H new ATOM 0 HH TYR A 63 5.043 0.657 -2.472 1.00 0.00 H new ATOM 974 N GLU A 64 4.671 0.622 5.520 1.00 0.00 N ATOM 975 CA GLU A 64 4.279 1.970 5.916 1.00 0.00 C ATOM 976 C GLU A 64 5.419 2.679 6.638 1.00 0.00 C ATOM 977 O GLU A 64 5.636 3.876 6.453 1.00 0.00 O ATOM 978 CB GLU A 64 3.043 1.919 6.816 1.00 0.00 C ATOM 979 CG GLU A 64 2.416 3.282 7.065 1.00 0.00 C ATOM 980 CD GLU A 64 1.303 3.232 8.092 1.00 0.00 C ATOM 981 OE1 GLU A 64 0.714 2.146 8.277 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.020 4.279 8.712 1.00 0.00 O ATOM 0 H GLU A 64 4.230 -0.122 6.061 1.00 0.00 H new ATOM 0 HA GLU A 64 4.041 2.532 5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.300 1.264 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.318 1.474 7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.186 3.976 7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.023 3.674 6.127 1.00 0.00 H new ATOM 989 N VAL A 65 6.147 1.931 7.461 1.00 0.00 N ATOM 990 CA VAL A 65 7.266 2.489 8.212 1.00 0.00 C ATOM 991 C VAL A 65 8.337 3.034 7.273 1.00 0.00 C ATOM 992 O VAL A 65 9.032 3.996 7.600 1.00 0.00 O ATOM 993 CB VAL A 65 7.900 1.436 9.141 1.00 0.00 C ATOM 994 CG1 VAL A 65 8.959 2.072 10.029 1.00 0.00 C ATOM 995 CG2 VAL A 65 6.832 0.749 9.980 1.00 0.00 C ATOM 0 H VAL A 65 5.982 0.938 7.625 1.00 0.00 H new ATOM 0 HA VAL A 65 6.868 3.303 8.818 1.00 0.00 H new ATOM 0 HB VAL A 65 8.385 0.680 8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.395 1.312 10.677 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.740 2.510 9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.502 2.851 10.639 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.300 0.009 10.629 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.315 1.491 10.589 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.116 0.255 9.324 1.00 0.00 H new ATOM 1005 N SER A 66 8.464 2.414 6.105 1.00 0.00 N ATOM 1006 CA SER A 66 9.450 2.838 5.117 1.00 0.00 C ATOM 1007 C SER A 66 8.809 3.722 4.053 1.00 0.00 C ATOM 1008 O SER A 66 9.175 3.663 2.879 1.00 0.00 O ATOM 1009 CB SER A 66 10.101 1.619 4.461 1.00 0.00 C ATOM 1010 OG SER A 66 11.241 1.196 5.188 1.00 0.00 O ATOM 0 H SER A 66 7.897 1.616 5.819 1.00 0.00 H new ATOM 0 HA SER A 66 10.217 3.418 5.631 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.379 0.804 4.404 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.388 1.863 3.438 1.00 0.00 H new ATOM 0 HG SER A 66 11.638 0.415 4.749 1.00 0.00 H new ATOM 1016 N GLY A 67 7.849 4.542 4.471 1.00 0.00 N ATOM 1017 CA GLY A 67 7.173 5.426 3.541 1.00 0.00 C ATOM 1018 C GLY A 67 5.787 4.932 3.174 1.00 0.00 C ATOM 1019 O GLY A 67 4.793 5.361 3.760 1.00 0.00 O ATOM 0 H GLY A 67 7.528 4.609 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.096 6.421 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.772 5.523 2.636 1.00 0.00 H new ATOM 1023 N GLY A 68 5.721 4.029 2.201 1.00 0.00 N ATOM 1024 CA GLY A 68 4.443 3.492 1.774 1.00 0.00 C ATOM 1025 C GLY A 68 3.651 4.478 0.936 1.00 0.00 C ATOM 1026 O GLY A 68 3.141 5.472 1.452 1.00 0.00 O ATOM 0 H GLY A 68 6.530 3.660 1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.609 2.581 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.858 3.213 2.651 1.00 0.00 H new ATOM 1030 N THR A 69 3.548 4.201 -0.361 1.00 0.00 N ATOM 1031 CA THR A 69 2.813 5.070 -1.271 1.00 0.00 C ATOM 1032 C THR A 69 1.589 4.357 -1.836 1.00 0.00 C ATOM 1033 O THR A 69 1.600 3.141 -2.028 1.00 0.00 O ATOM 1034 CB THR A 69 3.721 5.531 -2.413 1.00 0.00 C ATOM 1035 OG1 THR A 69 4.284 4.418 -3.086 1.00 0.00 O ATOM 1036 CG2 THR A 69 4.860 6.413 -1.954 1.00 0.00 C ATOM 0 H THR A 69 3.964 3.382 -0.804 1.00 0.00 H new ATOM 0 HA THR A 69 2.476 5.941 -0.709 1.00 0.00 H new ATOM 0 HB THR A 69 3.079 6.111 -3.076 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.253 4.541 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.464 6.704 -2.813 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.458 7.306 -1.474 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.480 5.866 -1.243 1.00 0.00 H new ATOM 1044 N VAL A 70 0.534 5.121 -2.099 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.698 4.562 -2.642 1.00 0.00 C ATOM 1046 C VAL A 70 -0.549 4.238 -4.124 1.00 0.00 C ATOM 1047 O VAL A 70 -1.149 3.287 -4.626 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.884 5.527 -2.457 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.190 4.851 -2.843 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.941 6.034 -1.024 1.00 0.00 C ATOM 0 H VAL A 70 0.508 6.129 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.897 3.644 -2.090 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.737 6.383 -3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.016 5.549 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.145 4.543 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.346 3.975 -2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.785 6.714 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.062 5.191 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.017 6.561 -0.787 1.00 0.00 H new ATOM 1060 N ARG A 71 0.256 5.033 -4.821 1.00 0.00 N ATOM 1061 CA ARG A 71 0.484 4.831 -6.247 1.00 0.00 C ATOM 1062 C ARG A 71 1.088 3.456 -6.511 1.00 0.00 C ATOM 1063 O ARG A 71 0.846 2.851 -7.556 1.00 0.00 O ATOM 1064 CB ARG A 71 1.404 5.923 -6.797 1.00 0.00 C ATOM 1065 CG ARG A 71 0.666 7.019 -7.547 1.00 0.00 C ATOM 1066 CD ARG A 71 1.514 7.595 -8.670 1.00 0.00 C ATOM 1067 NE ARG A 71 0.695 8.155 -9.743 1.00 0.00 N ATOM 1068 CZ ARG A 71 0.060 7.420 -10.651 1.00 0.00 C ATOM 1069 NH1 ARG A 71 0.144 6.094 -10.620 1.00 0.00 N ATOM 1070 NH2 ARG A 71 -0.664 8.008 -11.593 1.00 0.00 N ATOM 0 H ARG A 71 0.762 5.824 -4.421 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.478 4.888 -6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.958 6.369 -5.971 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.136 5.468 -7.464 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.261 6.619 -7.958 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.390 7.814 -6.854 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.167 8.371 -8.270 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.158 6.814 -9.075 1.00 0.00 H new ATOM 0 HE ARG A 71 0.605 9.170 -9.799 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.698 5.635 -9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.345 5.535 -11.319 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.734 9.025 -11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.151 7.443 -12.289 1.00 0.00 H new ATOM 1084 N GLU A 72 1.876 2.968 -5.558 1.00 0.00 N ATOM 1085 CA GLU A 72 2.515 1.663 -5.689 1.00 0.00 C ATOM 1086 C GLU A 72 1.586 0.551 -5.215 1.00 0.00 C ATOM 1087 O GLU A 72 1.595 -0.553 -5.759 1.00 0.00 O ATOM 1088 CB GLU A 72 3.819 1.630 -4.890 1.00 0.00 C ATOM 1089 CG GLU A 72 4.937 2.450 -5.513 1.00 0.00 C ATOM 1090 CD GLU A 72 6.279 1.747 -5.454 1.00 0.00 C ATOM 1091 OE1 GLU A 72 6.419 0.681 -6.088 1.00 0.00 O ATOM 1092 OE2 GLU A 72 7.190 2.264 -4.772 1.00 0.00 O ATOM 0 H GLU A 72 2.087 3.456 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 72 2.738 1.499 -6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.627 1.999 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.149 0.596 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.689 2.665 -6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.010 3.408 -4.998 1.00 0.00 H new ATOM 1099 N LEU A 73 0.784 0.849 -4.198 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.152 -0.126 -3.651 1.00 0.00 C ATOM 1101 C LEU A 73 -1.284 -0.404 -4.634 1.00 0.00 C ATOM 1102 O LEU A 73 -1.824 -1.510 -4.678 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.726 0.376 -2.324 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.309 -0.710 -1.418 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -0.198 -1.469 -0.712 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.269 -0.100 -0.407 1.00 0.00 C ATOM 0 H LEU A 73 0.764 1.758 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 73 0.391 -1.055 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.061 0.898 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.506 1.108 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.864 -1.415 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.632 -2.237 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.450 -1.937 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.386 -0.778 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.675 -0.886 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.737 0.626 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.084 0.397 -0.933 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.640 0.606 -5.421 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.708 0.469 -6.404 1.00 0.00 C ATOM 1120 C VAL A 74 -2.202 -0.210 -7.673 1.00 0.00 C ATOM 1121 O VAL A 74 -2.902 -1.025 -8.274 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.312 1.838 -6.772 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.525 1.664 -7.674 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.680 2.616 -5.517 1.00 0.00 C ATOM 0 H VAL A 74 -1.204 1.528 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.481 -0.149 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.561 2.409 -7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.937 2.642 -7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.227 1.152 -8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.281 1.073 -7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.105 3.580 -5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.412 2.051 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.787 2.775 -4.913 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.983 0.133 -8.075 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.382 -0.443 -9.273 1.00 0.00 C ATOM 1136 C GLU A 75 0.035 -1.891 -9.030 1.00 0.00 C ATOM 1137 O GLU A 75 -0.158 -2.754 -9.885 1.00 0.00 O ATOM 1138 CB GLU A 75 0.828 0.386 -9.710 1.00 0.00 C ATOM 1139 CG GLU A 75 0.545 1.299 -10.891 1.00 0.00 C ATOM 1140 CD GLU A 75 1.810 1.816 -11.546 1.00 0.00 C ATOM 1141 OE1 GLU A 75 2.388 2.796 -11.028 1.00 0.00 O ATOM 1142 OE2 GLU A 75 2.224 1.243 -12.574 1.00 0.00 O ATOM 0 H GLU A 75 -0.391 0.807 -7.589 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.128 -0.429 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.168 0.989 -8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.645 -0.287 -9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.047 0.758 -11.629 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.057 2.144 -10.556 1.00 0.00 H new ATOM 1149 N ALA A 76 0.607 -2.148 -7.858 1.00 0.00 N ATOM 1150 CA ALA A 76 1.051 -3.490 -7.503 1.00 0.00 C ATOM 1151 C ALA A 76 -0.112 -4.476 -7.517 1.00 0.00 C ATOM 1152 O ALA A 76 0.067 -5.658 -7.809 1.00 0.00 O ATOM 1153 CB ALA A 76 1.719 -3.480 -6.136 1.00 0.00 C ATOM 0 H ALA A 76 0.774 -1.444 -7.139 1.00 0.00 H new ATOM 0 HA ALA A 76 1.777 -3.814 -8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.046 -4.489 -5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.581 -2.814 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.009 -3.130 -5.387 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.304 -3.981 -7.201 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.498 -4.817 -7.177 1.00 0.00 C ATOM 1161 C LEU A 77 -2.950 -5.161 -8.592 1.00 0.00 C ATOM 1162 O LEU A 77 -3.406 -6.273 -8.856 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.628 -4.109 -6.425 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.410 -3.963 -4.919 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.299 -2.866 -4.356 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.677 -5.283 -4.213 1.00 0.00 C ATOM 0 H LEU A 77 -1.469 -3.004 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.252 -5.744 -6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.764 -3.117 -6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.555 -4.658 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.371 -3.685 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.131 -2.776 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.061 -1.920 -4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.344 -3.115 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.517 -5.161 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.707 -5.590 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.998 -6.045 -4.597 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.822 -4.199 -9.500 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.217 -4.400 -10.888 1.00 0.00 C ATOM 1180 C ARG A 78 -2.215 -5.290 -11.616 1.00 0.00 C ATOM 1181 O ARG A 78 -2.578 -6.036 -12.526 1.00 0.00 O ATOM 1182 CB ARG A 78 -3.339 -3.054 -11.605 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.537 -2.966 -12.537 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.234 -2.108 -13.755 1.00 0.00 C ATOM 1185 NE ARG A 78 -5.087 -2.451 -14.890 1.00 0.00 N ATOM 1186 CZ ARG A 78 -6.357 -2.071 -15.007 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -6.925 -1.334 -14.060 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -7.060 -2.426 -16.073 1.00 0.00 N ATOM 0 H ARG A 78 -2.447 -3.272 -9.299 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.187 -4.897 -10.896 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.409 -2.261 -10.861 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.430 -2.874 -12.178 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.824 -3.967 -12.858 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.388 -2.548 -11.999 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.372 -1.057 -13.502 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.188 -2.233 -14.036 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.685 -3.016 -15.638 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.388 -1.057 -13.239 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.899 -1.045 -14.154 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.628 -2.991 -16.804 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.033 -2.135 -16.162 1.00 0.00 H new ATOM 1202 N GLN A 79 -0.953 -5.208 -11.209 1.00 0.00 N ATOM 1203 CA GLN A 79 0.102 -6.008 -11.821 1.00 0.00 C ATOM 1204 C GLN A 79 -0.099 -7.490 -11.525 1.00 0.00 C ATOM 1205 O GLN A 79 0.249 -8.348 -12.338 1.00 0.00 O ATOM 1206 CB GLN A 79 1.472 -5.555 -11.314 1.00 0.00 C ATOM 1207 CG GLN A 79 1.934 -4.233 -11.905 1.00 0.00 C ATOM 1208 CD GLN A 79 3.434 -4.042 -11.805 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.209 -4.784 -12.409 1.00 0.00 O ATOM 1210 NE2 GLN A 79 3.853 -3.041 -11.038 1.00 0.00 N ATOM 0 H GLN A 79 -0.635 -4.596 -10.458 1.00 0.00 H new ATOM 0 HA GLN A 79 0.056 -5.863 -12.900 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.437 -5.465 -10.228 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.208 -6.324 -11.546 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.634 -4.183 -12.952 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.432 -3.414 -11.390 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.176 -2.450 -10.555 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.852 -2.863 -10.932 1.00 0.00 H new ATOM 1219 N MET A 80 -0.662 -7.785 -10.358 1.00 0.00 N ATOM 1220 CA MET A 80 -0.909 -9.165 -9.955 1.00 0.00 C ATOM 1221 C MET A 80 -2.248 -9.656 -10.494 1.00 0.00 C ATOM 1222 O MET A 80 -2.301 -10.583 -11.302 1.00 0.00 O ATOM 1223 CB MET A 80 -0.884 -9.285 -8.430 1.00 0.00 C ATOM 1224 CG MET A 80 0.499 -9.097 -7.828 1.00 0.00 C ATOM 1225 SD MET A 80 0.450 -8.283 -6.219 1.00 0.00 S ATOM 1226 CE MET A 80 -0.693 -9.345 -5.337 1.00 0.00 C ATOM 0 H MET A 80 -0.956 -7.087 -9.675 1.00 0.00 H new ATOM 0 HA MET A 80 -0.119 -9.788 -10.374 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.560 -8.544 -8.004 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.265 -10.265 -8.145 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.982 -10.069 -7.725 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.111 -8.508 -8.511 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.759 -9.024 -4.297 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.678 -9.283 -5.799 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.338 -10.375 -5.377 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.329 -9.029 -10.041 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.654 -9.418 -10.489 1.00 0.00 C ATOM 1238 C GLY A 81 -5.710 -9.215 -9.420 1.00 0.00 C ATOM 1239 O GLY A 81 -6.552 -10.084 -9.197 1.00 0.00 O ATOM 0 H GLY A 81 -3.311 -8.259 -9.372 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.920 -8.838 -11.373 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.640 -10.466 -10.787 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.665 -8.064 -8.757 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.625 -7.749 -7.705 1.00 0.00 C ATOM 1245 C TYR A 82 -7.664 -6.748 -8.200 1.00 0.00 C ATOM 1246 O TYR A 82 -7.355 -5.858 -8.993 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.902 -7.192 -6.477 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.636 -8.228 -5.409 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.683 -8.884 -4.774 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.337 -8.551 -5.036 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.443 -9.832 -3.797 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.089 -9.498 -4.060 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.145 -10.135 -3.444 1.00 0.00 C ATOM 1254 OH TYR A 82 -4.902 -11.078 -2.472 1.00 0.00 O ATOM 0 H TYR A 82 -4.974 -7.334 -8.930 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.139 -8.669 -7.427 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.954 -6.755 -6.791 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.498 -6.386 -6.049 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.701 -8.650 -5.048 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.507 -8.054 -5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.268 -10.333 -3.313 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.073 -9.738 -3.782 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.913 -11.972 -2.873 1.00 0.00 H new ATOM 1264 N THR A 83 -8.896 -6.898 -7.725 1.00 0.00 N ATOM 1265 CA THR A 83 -9.981 -6.006 -8.118 1.00 0.00 C ATOM 1266 C THR A 83 -10.564 -5.290 -6.905 1.00 0.00 C ATOM 1267 O THR A 83 -10.747 -4.072 -6.919 1.00 0.00 O ATOM 1268 CB THR A 83 -11.079 -6.792 -8.836 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.553 -7.482 -9.955 1.00 0.00 O ATOM 1270 CG2 THR A 83 -12.216 -5.922 -9.328 1.00 0.00 C ATOM 0 H THR A 83 -9.168 -7.629 -7.067 1.00 0.00 H new ATOM 0 HA THR A 83 -9.574 -5.257 -8.798 1.00 0.00 H new ATOM 0 HB THR A 83 -11.469 -7.486 -8.091 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.271 -7.980 -10.399 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.960 -6.543 -9.828 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.678 -5.413 -8.482 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.831 -5.182 -10.030 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.855 -6.053 -5.856 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.416 -5.490 -4.634 1.00 0.00 C ATOM 1280 C GLU A 84 -10.373 -4.674 -3.879 1.00 0.00 C ATOM 1281 O GLU A 84 -10.684 -3.631 -3.303 1.00 0.00 O ATOM 1282 CB GLU A 84 -11.956 -6.605 -3.736 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.412 -6.951 -4.004 1.00 0.00 C ATOM 1284 CD GLU A 84 -13.753 -8.376 -3.613 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -13.516 -9.289 -4.432 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -14.257 -8.579 -2.488 1.00 0.00 O ATOM 0 H GLU A 84 -10.711 -7.062 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.235 -4.827 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.347 -7.499 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.848 -6.305 -2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.053 -6.263 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.627 -6.807 -5.063 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.135 -5.155 -3.886 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.044 -4.471 -3.201 1.00 0.00 C ATOM 1295 C ALA A 85 -7.854 -3.058 -3.745 1.00 0.00 C ATOM 1296 O ALA A 85 -7.433 -2.155 -3.021 1.00 0.00 O ATOM 1297 CB ALA A 85 -6.755 -5.267 -3.335 1.00 0.00 C ATOM 0 H ALA A 85 -8.861 -6.016 -4.359 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.303 -4.394 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.949 -4.745 -2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.889 -6.254 -2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.501 -5.374 -4.390 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.166 -2.874 -5.023 1.00 0.00 N ATOM 1304 CA ILE A 86 -8.029 -1.571 -5.663 1.00 0.00 C ATOM 1305 C ILE A 86 -9.253 -0.699 -5.405 1.00 0.00 C ATOM 1306 O ILE A 86 -9.152 0.527 -5.345 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.823 -1.711 -7.183 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.731 -2.740 -7.480 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.472 -0.363 -7.797 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.482 -2.947 -8.959 1.00 0.00 C ATOM 0 H ILE A 86 -8.515 -3.610 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.150 -1.096 -5.227 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.754 -2.060 -7.630 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.803 -2.421 -7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.009 -3.693 -7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.330 -0.479 -8.871 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.282 0.343 -7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.553 0.013 -7.348 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.696 -3.689 -9.095 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.397 -3.296 -9.437 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.173 -2.005 -9.411 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.408 -1.339 -5.255 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.652 -0.621 -5.004 1.00 0.00 C ATOM 1324 C GLU A 87 -11.677 -0.052 -3.589 1.00 0.00 C ATOM 1325 O GLU A 87 -12.275 0.996 -3.340 1.00 0.00 O ATOM 1326 CB GLU A 87 -12.851 -1.546 -5.215 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.094 -1.905 -6.672 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.568 -1.982 -7.015 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -15.316 -2.655 -6.273 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -14.975 -1.371 -8.025 1.00 0.00 O ATOM 0 H GLU A 87 -10.508 -2.353 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.712 0.207 -5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.697 -2.462 -4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.744 -1.067 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.615 -1.163 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.624 -2.864 -6.889 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.025 -0.749 -2.664 1.00 0.00 N ATOM 1338 CA VAL A 88 -10.974 -0.314 -1.273 1.00 0.00 C ATOM 1339 C VAL A 88 -10.140 0.955 -1.125 1.00 0.00 C ATOM 1340 O VAL A 88 -10.480 1.846 -0.346 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.388 -1.409 -0.362 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.487 -1.001 1.099 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.091 -2.738 -0.601 1.00 0.00 C ATOM 0 H VAL A 88 -10.525 -1.618 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.000 -0.110 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.334 -1.533 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.068 -1.788 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.931 -0.077 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.533 -0.845 1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.663 -3.499 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.154 -2.631 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.960 -3.037 -1.641 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.046 1.031 -1.876 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.165 2.190 -1.827 1.00 0.00 C ATOM 1355 C ILE A 89 -8.752 3.361 -2.608 1.00 0.00 C ATOM 1356 O ILE A 89 -8.750 4.499 -2.136 1.00 0.00 O ATOM 1357 CB ILE A 89 -6.769 1.860 -2.390 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.235 0.571 -1.763 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -5.810 3.014 -2.140 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.071 -0.032 -2.520 1.00 0.00 C ATOM 0 H ILE A 89 -8.749 0.303 -2.526 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.068 2.469 -0.778 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.853 1.711 -3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.925 0.776 -0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.042 -0.160 -1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.828 2.765 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.186 3.912 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.727 3.192 -1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.744 -0.943 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.382 -0.269 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.247 0.681 -2.550 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.253 3.076 -3.805 1.00 0.00 N ATOM 1373 CA GLN A 90 -9.844 4.105 -4.652 1.00 0.00 C ATOM 1374 C GLN A 90 -11.110 4.672 -4.017 1.00 0.00 C ATOM 1375 O GLN A 90 -11.440 5.843 -4.205 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.164 3.535 -6.035 1.00 0.00 C ATOM 1377 CG GLN A 90 -8.982 3.553 -6.990 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.408 3.612 -8.444 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -10.228 4.446 -8.829 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -8.851 2.725 -9.260 1.00 0.00 N ATOM 0 H GLN A 90 -9.262 2.140 -4.211 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.120 4.913 -4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.514 2.509 -5.923 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.983 4.106 -6.473 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.351 4.413 -6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.376 2.662 -6.829 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.176 2.052 -8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.098 2.717 -10.250 1.00 0.00 H new ATOM 1389 N ALA A 91 -11.817 3.832 -3.267 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.047 4.248 -2.605 1.00 0.00 C ATOM 1391 C ALA A 91 -12.773 5.322 -1.556 1.00 0.00 C ATOM 1392 O ALA A 91 -13.619 6.177 -1.295 1.00 0.00 O ATOM 1393 CB ALA A 91 -13.734 3.049 -1.969 1.00 0.00 C ATOM 0 H ALA A 91 -11.558 2.859 -3.103 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.708 4.676 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.651 3.374 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -13.974 2.316 -2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.069 2.597 -1.233 1.00 0.00 H new