USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 750 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 34 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 35 GLN : amide:sc= -7.65! C(o=-7.6!,f=-8.6!) USER MOD Set 2.1: A 23 HIS : no HE2:sc= -0.136 K(o=-0.28,f=-2.2) USER MOD Set 2.2: A 24 HIS : no HD1:sc= -0.147 X(o=-0.28,f=-0.57) USER MOD Single : A 6 MET CE :methyl 159:sc= -0.837 (180deg=-1.87) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -92:sc= -1.05! USER MOD Single : A 14 CYS SG : rot -60:sc= -5.38! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00376 USER MOD Single : A 25 THR OG1 : rot 151:sc= -2.49! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -138:sc= -0.0942 (180deg=-1.53!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -126:sc= -0.123 (180deg=-1.02) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -11.3! C(o=-11!,f=-14!) USER MOD Single : A 48 ASN : amide:sc= -4.67! C(o=-4.7!,f=-5.7!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.235 USER MOD Single : A 55 MET CE :methyl -167:sc= -19.6! (180deg=-20.6!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0193 USER MOD Single : A 58 SER OG : rot -120:sc= 0.00542 USER MOD Single : A 67 TYR OH : rot -177:sc= -4.21! USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= -0.0378 (180deg=-0.134) USER MOD Single : A 69 GLN : amide:sc= -3.12 K(o=-3.1,f=-5.9!) USER MOD Single : A 77 MET CE :methyl 158:sc= -7.22! (180deg=-8.94!) USER MOD Single : A 80 CYS SG : rot -42:sc= -3.93! USER MOD Single : A 83 SER OG : rot -150:sc= -0.548 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -14.6! C(o=-15!,f=-11!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.344 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.680 -14.146 0.082 1.00 0.00 N ATOM 12 CA LEU A 2 -7.673 -13.112 -0.088 1.00 0.00 C ATOM 13 C LEU A 2 -6.284 -13.753 -0.087 1.00 0.00 C ATOM 14 O LEU A 2 -6.021 -14.673 0.687 1.00 0.00 O ATOM 15 CB LEU A 2 -7.845 -12.018 0.968 1.00 0.00 C ATOM 16 CG LEU A 2 -6.621 -11.139 1.228 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.684 -9.853 0.403 1.00 0.00 C ATOM 18 CD2 LEU A 2 -6.459 -10.854 2.723 1.00 0.00 C ATOM 0 HA LEU A 2 -7.795 -12.616 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.672 -11.375 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.135 -12.489 1.907 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.734 -11.684 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.802 -9.246 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.716 -10.102 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.580 -9.292 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.581 -10.227 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.345 -10.338 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.335 -11.794 3.261 1.00 0.00 H new ATOM 29 N GLY A 3 -5.432 -13.244 -0.964 1.00 0.00 N ATOM 30 CA GLY A 3 -4.076 -13.755 -1.074 1.00 0.00 C ATOM 31 C GLY A 3 -3.087 -12.851 -0.337 1.00 0.00 C ATOM 32 O GLY A 3 -3.472 -12.111 0.568 1.00 0.00 O ATOM 0 H GLY A 3 -5.654 -12.483 -1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.029 -14.763 -0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.795 -13.827 -2.125 1.00 0.00 H new ATOM 36 N ILE A 4 -1.831 -12.940 -0.749 1.00 0.00 N ATOM 37 CA ILE A 4 -0.784 -12.139 -0.138 1.00 0.00 C ATOM 38 C ILE A 4 0.557 -12.476 -0.794 1.00 0.00 C ATOM 39 O ILE A 4 0.909 -13.647 -0.929 1.00 0.00 O ATOM 40 CB ILE A 4 -0.789 -12.319 1.381 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.421 -11.013 2.088 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.124 -13.474 1.799 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.519 -10.168 1.227 1.00 0.00 C ATOM 0 H ILE A 4 -1.515 -13.555 -1.499 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.966 -11.078 -0.310 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.801 -12.580 1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.326 -10.447 2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.056 -11.234 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.102 -13.581 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.223 -14.398 1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.144 -13.267 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.764 -9.246 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.433 -10.728 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.030 -9.928 0.283 1.00 0.00 H new ATOM 54 N ASP A 5 1.269 -11.429 -1.183 1.00 0.00 N ATOM 55 CA ASP A 5 2.564 -11.599 -1.821 1.00 0.00 C ATOM 56 C ASP A 5 3.514 -10.502 -1.337 1.00 0.00 C ATOM 57 O ASP A 5 3.107 -9.354 -1.166 1.00 0.00 O ATOM 58 CB ASP A 5 2.447 -11.485 -3.343 1.00 0.00 C ATOM 59 CG ASP A 5 2.971 -12.693 -4.123 1.00 0.00 C ATOM 60 OD1 ASP A 5 4.038 -13.242 -3.808 1.00 0.00 O ATOM 61 OD2 ASP A 5 2.226 -13.073 -5.105 1.00 0.00 O ATOM 0 H ASP A 5 0.974 -10.459 -1.069 1.00 0.00 H new ATOM 0 HA ASP A 5 2.941 -12.588 -1.561 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.399 -11.331 -3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.990 -10.598 -3.669 1.00 0.00 H new ATOM 66 N MET A 6 4.763 -10.894 -1.130 1.00 0.00 N ATOM 67 CA MET A 6 5.774 -9.958 -0.669 1.00 0.00 C ATOM 68 C MET A 6 7.093 -10.165 -1.416 1.00 0.00 C ATOM 69 O MET A 6 7.541 -11.298 -1.591 1.00 0.00 O ATOM 70 CB MET A 6 6.001 -10.151 0.831 1.00 0.00 C ATOM 71 CG MET A 6 4.675 -10.132 1.594 1.00 0.00 C ATOM 72 SD MET A 6 4.715 -11.327 2.920 1.00 0.00 S ATOM 73 CE MET A 6 3.402 -12.415 2.396 1.00 0.00 C ATOM 0 H MET A 6 5.097 -11.847 -1.273 1.00 0.00 H new ATOM 0 HA MET A 6 5.422 -8.945 -0.865 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.512 -11.098 1.006 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.653 -9.363 1.208 1.00 0.00 H new ATOM 0 HG2 MET A 6 4.492 -9.136 1.997 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.852 -10.357 0.915 1.00 0.00 H new ATOM 0 HE1 MET A 6 3.523 -13.388 2.873 1.00 0.00 H new ATOM 0 HE2 MET A 6 2.440 -11.988 2.681 1.00 0.00 H new ATOM 0 HE3 MET A 6 3.439 -12.535 1.313 1.00 0.00 H new ATOM 81 N ASN A 7 7.679 -9.053 -1.836 1.00 0.00 N ATOM 82 CA ASN A 7 8.938 -9.098 -2.560 1.00 0.00 C ATOM 83 C ASN A 7 9.831 -7.946 -2.095 1.00 0.00 C ATOM 84 O ASN A 7 9.363 -7.025 -1.428 1.00 0.00 O ATOM 85 CB ASN A 7 8.712 -8.943 -4.066 1.00 0.00 C ATOM 86 CG ASN A 7 9.110 -10.218 -4.814 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.341 -11.155 -4.947 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.351 -10.200 -5.292 1.00 0.00 N ATOM 0 H ASN A 7 7.305 -8.116 -1.689 1.00 0.00 H new ATOM 0 HA ASN A 7 9.407 -10.062 -2.362 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.663 -8.716 -4.259 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.294 -8.101 -4.440 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.711 -11.004 -5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.942 -9.382 -5.145 1.00 0.00 H new ATOM 94 N VAL A 8 11.100 -8.037 -2.464 1.00 0.00 N ATOM 95 CA VAL A 8 12.062 -7.014 -2.092 1.00 0.00 C ATOM 96 C VAL A 8 12.880 -6.618 -3.322 1.00 0.00 C ATOM 97 O VAL A 8 13.205 -7.462 -4.155 1.00 0.00 O ATOM 98 CB VAL A 8 12.929 -7.508 -0.932 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.404 -7.560 -1.333 1.00 0.00 C ATOM 100 CG2 VAL A 8 12.730 -6.639 0.311 1.00 0.00 C ATOM 0 H VAL A 8 11.484 -8.803 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 8 11.550 -6.119 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 8 12.612 -8.522 -0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.998 -7.914 -0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.528 -8.240 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.739 -6.563 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.358 -7.012 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.006 -5.609 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.684 -6.675 0.617 1.00 0.00 H new ATOM 110 N LYS A 9 13.189 -5.332 -3.399 1.00 0.00 N ATOM 111 CA LYS A 9 13.962 -4.813 -4.514 1.00 0.00 C ATOM 112 C LYS A 9 14.877 -3.691 -4.017 1.00 0.00 C ATOM 113 O LYS A 9 14.417 -2.582 -3.752 1.00 0.00 O ATOM 114 CB LYS A 9 13.037 -4.389 -5.657 1.00 0.00 C ATOM 115 CG LYS A 9 11.612 -4.895 -5.424 1.00 0.00 C ATOM 116 CD LYS A 9 11.487 -6.374 -5.794 1.00 0.00 C ATOM 117 CE LYS A 9 10.514 -6.567 -6.959 1.00 0.00 C ATOM 118 NZ LYS A 9 11.217 -7.128 -8.134 1.00 0.00 N ATOM 0 H LYS A 9 12.918 -4.634 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 9 14.604 -5.591 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.032 -3.302 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.416 -4.780 -6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.339 -4.754 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.912 -4.308 -6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.466 -6.769 -6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.142 -6.941 -4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.706 -7.234 -6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.058 -5.612 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.542 -7.253 -8.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.973 -6.478 -8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.631 -8.049 -7.884 1.00 0.00 H new ATOM 127 N GLU A 10 16.156 -4.020 -3.905 1.00 0.00 N ATOM 128 CA GLU A 10 17.139 -3.055 -3.445 1.00 0.00 C ATOM 129 C GLU A 10 16.833 -2.629 -2.007 1.00 0.00 C ATOM 130 O GLU A 10 17.739 -2.278 -1.254 1.00 0.00 O ATOM 131 CB GLU A 10 17.194 -1.842 -4.375 1.00 0.00 C ATOM 132 CG GLU A 10 17.896 -0.662 -3.698 1.00 0.00 C ATOM 133 CD GLU A 10 18.760 0.108 -4.697 1.00 0.00 C ATOM 134 OE1 GLU A 10 18.388 0.231 -5.873 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.855 0.591 -4.213 1.00 0.00 O ATOM 0 H GLU A 10 16.534 -4.942 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 10 18.120 -3.530 -3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.721 -2.106 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.183 -1.553 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.153 0.007 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.517 -1.025 -2.879 1.00 0.00 H new ATOM 141 N SER A 11 15.553 -2.676 -1.671 1.00 0.00 N ATOM 142 CA SER A 11 15.116 -2.299 -0.337 1.00 0.00 C ATOM 143 C SER A 11 13.603 -2.069 -0.327 1.00 0.00 C ATOM 144 O SER A 11 13.018 -1.806 0.722 1.00 0.00 O ATOM 145 CB SER A 11 15.846 -1.046 0.150 1.00 0.00 C ATOM 146 OG SER A 11 16.575 -0.414 -0.898 1.00 0.00 O ATOM 0 H SER A 11 14.804 -2.969 -2.299 1.00 0.00 H new ATOM 0 HA SER A 11 15.358 -3.115 0.344 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.123 -0.343 0.564 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.529 -1.314 0.956 1.00 0.00 H new ATOM 0 HG SER A 11 17.493 -0.758 -0.912 1.00 0.00 H new ATOM 151 N VAL A 12 13.012 -2.178 -1.508 1.00 0.00 N ATOM 152 CA VAL A 12 11.579 -1.984 -1.649 1.00 0.00 C ATOM 153 C VAL A 12 10.865 -3.318 -1.418 1.00 0.00 C ATOM 154 O VAL A 12 11.135 -4.298 -2.109 1.00 0.00 O ATOM 155 CB VAL A 12 11.266 -1.366 -3.013 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.512 -2.371 -4.140 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.833 -0.833 -3.057 1.00 0.00 C ATOM 0 H VAL A 12 13.500 -2.398 -2.376 1.00 0.00 H new ATOM 0 HA VAL A 12 11.212 -1.284 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 12 11.942 -0.524 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.282 -1.906 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.557 -2.682 -4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.873 -3.242 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.636 -0.399 -4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.135 -1.650 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.705 -0.069 -2.290 1.00 0.00 H new ATOM 167 N LEU A 13 9.966 -3.310 -0.444 1.00 0.00 N ATOM 168 CA LEU A 13 9.211 -4.507 -0.114 1.00 0.00 C ATOM 169 C LEU A 13 7.864 -4.470 -0.839 1.00 0.00 C ATOM 170 O LEU A 13 6.961 -3.735 -0.442 1.00 0.00 O ATOM 171 CB LEU A 13 9.089 -4.661 1.403 1.00 0.00 C ATOM 172 CG LEU A 13 9.699 -3.538 2.244 1.00 0.00 C ATOM 173 CD1 LEU A 13 8.652 -2.477 2.584 1.00 0.00 C ATOM 174 CD2 LEU A 13 10.379 -4.097 3.496 1.00 0.00 C ATOM 0 H LEU A 13 9.744 -2.494 0.127 1.00 0.00 H new ATOM 0 HA LEU A 13 9.736 -5.397 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.032 -4.744 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.560 -5.601 1.692 1.00 0.00 H new ATOM 0 HG LEU A 13 10.471 -3.048 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.112 -1.690 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.256 -2.048 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.840 -2.935 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.804 -3.278 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.645 -4.628 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.173 -4.784 3.203 1.00 0.00 H new ATOM 185 N CYS A 14 7.771 -5.273 -1.888 1.00 0.00 N ATOM 186 CA CYS A 14 6.550 -5.342 -2.672 1.00 0.00 C ATOM 187 C CYS A 14 5.493 -6.085 -1.852 1.00 0.00 C ATOM 188 O CYS A 14 5.817 -7.013 -1.111 1.00 0.00 O ATOM 189 CB CYS A 14 6.786 -6.004 -4.031 1.00 0.00 C ATOM 190 SG CYS A 14 8.526 -5.768 -4.549 1.00 0.00 S ATOM 0 H CYS A 14 8.522 -5.882 -2.214 1.00 0.00 H new ATOM 0 HA CYS A 14 6.198 -4.334 -2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.557 -7.068 -3.971 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.115 -5.575 -4.775 1.00 0.00 H new ATOM 0 HG CYS A 14 8.782 -4.497 -4.645 1.00 0.00 H new ATOM 195 N ILE A 15 4.252 -5.649 -2.011 1.00 0.00 N ATOM 196 CA ILE A 15 3.147 -6.261 -1.294 1.00 0.00 C ATOM 197 C ILE A 15 1.983 -6.491 -2.259 1.00 0.00 C ATOM 198 O ILE A 15 1.135 -5.617 -2.435 1.00 0.00 O ATOM 199 CB ILE A 15 2.773 -5.425 -0.068 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.782 -5.628 1.063 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.340 -5.718 0.381 1.00 0.00 C ATOM 202 CD1 ILE A 15 3.932 -7.112 1.404 1.00 0.00 C ATOM 0 H ILE A 15 3.988 -4.879 -2.626 1.00 0.00 H new ATOM 0 HA ILE A 15 3.439 -7.237 -0.908 1.00 0.00 H new ATOM 0 HB ILE A 15 2.812 -4.372 -0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.749 -5.219 0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.458 -5.079 1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.101 -5.110 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.649 -5.479 -0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.248 -6.773 0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.655 -7.229 2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.968 -7.512 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.279 -7.654 0.525 1.00 0.00 H new ATOM 213 N ARG A 16 1.978 -7.672 -2.860 1.00 0.00 N ATOM 214 CA ARG A 16 0.933 -8.028 -3.804 1.00 0.00 C ATOM 215 C ARG A 16 -0.211 -8.746 -3.083 1.00 0.00 C ATOM 216 O ARG A 16 -0.074 -9.905 -2.695 1.00 0.00 O ATOM 217 CB ARG A 16 1.475 -8.933 -4.912 1.00 0.00 C ATOM 218 CG ARG A 16 1.211 -8.328 -6.292 1.00 0.00 C ATOM 219 CD ARG A 16 2.513 -8.168 -7.079 1.00 0.00 C ATOM 220 NE ARG A 16 2.236 -8.211 -8.532 1.00 0.00 N ATOM 221 CZ ARG A 16 3.192 -8.232 -9.485 1.00 0.00 C ATOM 222 NH1 ARG A 16 4.499 -8.212 -9.146 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.829 -8.271 -10.754 1.00 0.00 N ATOM 0 H ARG A 16 2.682 -8.395 -2.711 1.00 0.00 H new ATOM 0 HA ARG A 16 0.564 -7.106 -4.253 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.546 -9.081 -4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.007 -9.915 -4.846 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.523 -8.966 -6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.727 -7.357 -6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.990 -7.223 -6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.210 -8.962 -6.810 1.00 0.00 H new ATOM 0 HE ARG A 16 1.261 -8.226 -8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.771 -8.181 -8.163 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.215 -8.228 -9.873 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.840 -8.285 -11.001 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.538 -8.287 -11.487 1.00 0.00 H new ATOM 233 N LEU A 17 -1.313 -8.026 -2.927 1.00 0.00 N ATOM 234 CA LEU A 17 -2.479 -8.580 -2.260 1.00 0.00 C ATOM 235 C LEU A 17 -3.530 -8.953 -3.307 1.00 0.00 C ATOM 236 O LEU A 17 -3.901 -8.128 -4.140 1.00 0.00 O ATOM 237 CB LEU A 17 -2.992 -7.615 -1.189 1.00 0.00 C ATOM 238 CG LEU A 17 -2.850 -8.084 0.260 1.00 0.00 C ATOM 239 CD1 LEU A 17 -3.279 -9.544 0.409 1.00 0.00 C ATOM 240 CD2 LEU A 17 -1.428 -7.848 0.775 1.00 0.00 C ATOM 0 H LEU A 17 -1.423 -7.065 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.217 -9.496 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.462 -6.669 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.046 -7.415 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.520 -7.488 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.168 -9.852 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.322 -9.649 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.654 -10.173 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.353 -8.190 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.721 -8.402 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.196 -6.784 0.728 1.00 0.00 H new ATOM 251 N THR A 18 -3.982 -10.197 -3.229 1.00 0.00 N ATOM 252 CA THR A 18 -4.984 -10.689 -4.159 1.00 0.00 C ATOM 253 C THR A 18 -6.180 -11.264 -3.399 1.00 0.00 C ATOM 254 O THR A 18 -6.055 -12.276 -2.711 1.00 0.00 O ATOM 255 CB THR A 18 -4.309 -11.701 -5.087 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.369 -12.368 -4.250 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.445 -11.030 -6.157 1.00 0.00 C ATOM 0 H THR A 18 -3.672 -10.878 -2.536 1.00 0.00 H new ATOM 0 HA THR A 18 -5.387 -9.882 -4.771 1.00 0.00 H new ATOM 0 HB THR A 18 -5.070 -12.315 -5.568 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.888 -13.043 -4.772 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.989 -11.793 -6.788 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.066 -10.376 -6.769 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.663 -10.442 -5.677 1.00 0.00 H new ATOM 265 N GLY A 19 -7.313 -10.594 -3.549 1.00 0.00 N ATOM 266 CA GLY A 19 -8.532 -11.026 -2.885 1.00 0.00 C ATOM 267 C GLY A 19 -9.488 -9.851 -2.676 1.00 0.00 C ATOM 268 O GLY A 19 -9.962 -9.252 -3.640 1.00 0.00 O ATOM 0 H GLY A 19 -7.413 -9.755 -4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.022 -11.796 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.287 -11.475 -1.923 1.00 0.00 H new ATOM 272 N GLU A 20 -9.743 -9.554 -1.409 1.00 0.00 N ATOM 273 CA GLU A 20 -10.634 -8.462 -1.061 1.00 0.00 C ATOM 274 C GLU A 20 -9.911 -7.449 -0.171 1.00 0.00 C ATOM 275 O GLU A 20 -8.885 -7.767 0.428 1.00 0.00 O ATOM 276 CB GLU A 20 -11.902 -8.982 -0.381 1.00 0.00 C ATOM 277 CG GLU A 20 -13.091 -8.958 -1.343 1.00 0.00 C ATOM 278 CD GLU A 20 -13.264 -10.311 -2.036 1.00 0.00 C ATOM 279 OE1 GLU A 20 -12.419 -10.701 -2.854 1.00 0.00 O ATOM 280 OE2 GLU A 20 -14.321 -10.967 -1.695 1.00 0.00 O ATOM 0 H GLU A 20 -9.347 -10.052 -0.612 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.935 -7.959 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.737 -10.000 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.126 -8.372 0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.000 -8.706 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.943 -8.179 -2.091 1.00 0.00 H new ATOM 286 N LEU A 21 -10.474 -6.251 -0.114 1.00 0.00 N ATOM 287 CA LEU A 21 -9.895 -5.190 0.693 1.00 0.00 C ATOM 288 C LEU A 21 -10.897 -4.768 1.769 1.00 0.00 C ATOM 289 O LEU A 21 -11.734 -3.898 1.535 1.00 0.00 O ATOM 290 CB LEU A 21 -9.424 -4.037 -0.196 1.00 0.00 C ATOM 291 CG LEU A 21 -7.918 -3.962 -0.457 1.00 0.00 C ATOM 292 CD1 LEU A 21 -7.129 -4.528 0.725 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.555 -4.653 -1.773 1.00 0.00 C ATOM 0 H LEU A 21 -11.325 -5.991 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.004 -5.547 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.935 -4.112 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.740 -3.099 0.261 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.640 -2.913 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.062 -4.463 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.357 -3.954 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.405 -5.571 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.479 -4.585 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.850 -5.701 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.077 -4.165 -2.596 1.00 0.00 H new ATOM 304 N ASP A 22 -10.780 -5.405 2.924 1.00 0.00 N ATOM 305 CA ASP A 22 -11.666 -5.106 4.036 1.00 0.00 C ATOM 306 C ASP A 22 -10.939 -5.390 5.352 1.00 0.00 C ATOM 307 O ASP A 22 -9.851 -5.964 5.353 1.00 0.00 O ATOM 308 CB ASP A 22 -12.920 -5.980 3.991 1.00 0.00 C ATOM 309 CG ASP A 22 -12.903 -7.082 2.930 1.00 0.00 C ATOM 310 OD1 ASP A 22 -13.161 -8.259 3.227 1.00 0.00 O ATOM 311 OD2 ASP A 22 -12.605 -6.687 1.739 1.00 0.00 O ATOM 0 H ASP A 22 -10.085 -6.127 3.114 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.955 -4.057 3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.059 -6.440 4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.784 -5.340 3.814 1.00 0.00 H new ATOM 316 N HIS A 23 -11.569 -4.976 6.442 1.00 0.00 N ATOM 317 CA HIS A 23 -10.996 -5.179 7.761 1.00 0.00 C ATOM 318 C HIS A 23 -10.463 -6.608 7.875 1.00 0.00 C ATOM 319 O HIS A 23 -9.529 -6.868 8.634 1.00 0.00 O ATOM 320 CB HIS A 23 -12.012 -4.836 8.853 1.00 0.00 C ATOM 321 CG HIS A 23 -12.887 -5.996 9.264 1.00 0.00 C ATOM 322 ND1 HIS A 23 -12.604 -6.799 10.355 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.040 -6.479 8.719 1.00 0.00 C ATOM 324 CE1 HIS A 23 -13.550 -7.721 10.454 1.00 0.00 C ATOM 325 NE2 HIS A 23 -14.439 -7.522 9.438 1.00 0.00 N ATOM 0 H HIS A 23 -12.471 -4.501 6.438 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.154 -4.502 7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.478 -4.469 9.729 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.646 -4.022 8.502 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -11.802 -6.698 10.978 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.543 -6.081 7.850 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -13.608 -8.494 11.206 1.00 0.00 H new ATOM 332 N HIS A 24 -11.078 -7.498 7.110 1.00 0.00 N ATOM 333 CA HIS A 24 -10.677 -8.894 7.115 1.00 0.00 C ATOM 334 C HIS A 24 -9.357 -9.052 6.358 1.00 0.00 C ATOM 335 O HIS A 24 -8.421 -9.675 6.858 1.00 0.00 O ATOM 336 CB HIS A 24 -11.791 -9.782 6.557 1.00 0.00 C ATOM 337 CG HIS A 24 -12.765 -10.275 7.599 1.00 0.00 C ATOM 338 ND1 HIS A 24 -14.114 -9.968 7.570 1.00 0.00 N ATOM 339 CD2 HIS A 24 -12.572 -11.058 8.700 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.696 -10.544 8.611 1.00 0.00 C ATOM 341 NE2 HIS A 24 -13.739 -11.218 9.311 1.00 0.00 N ATOM 0 H HIS A 24 -11.852 -7.279 6.482 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.509 -9.224 8.140 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.339 -9.225 5.797 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.341 -10.641 6.060 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.629 -11.477 9.020 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.745 -10.489 8.862 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.895 -11.756 10.163 1.00 0.00 H new ATOM 348 N THR A 25 -9.324 -8.477 5.166 1.00 0.00 N ATOM 349 CA THR A 25 -8.134 -8.546 4.334 1.00 0.00 C ATOM 350 C THR A 25 -7.120 -7.484 4.765 1.00 0.00 C ATOM 351 O THR A 25 -5.913 -7.683 4.633 1.00 0.00 O ATOM 352 CB THR A 25 -8.569 -8.411 2.874 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.544 -7.008 2.630 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.034 -8.800 2.661 1.00 0.00 C ATOM 0 H THR A 25 -10.102 -7.961 4.755 1.00 0.00 H new ATOM 0 HA THR A 25 -7.626 -9.503 4.450 1.00 0.00 H new ATOM 0 HB THR A 25 -7.932 -9.036 2.248 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.349 -6.844 1.684 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.291 -8.686 1.608 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.182 -9.837 2.961 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.673 -8.154 3.263 1.00 0.00 H new ATOM 362 N ALA A 26 -7.647 -6.379 5.273 1.00 0.00 N ATOM 363 CA ALA A 26 -6.803 -5.287 5.724 1.00 0.00 C ATOM 364 C ALA A 26 -5.921 -5.772 6.877 1.00 0.00 C ATOM 365 O ALA A 26 -4.952 -5.109 7.244 1.00 0.00 O ATOM 366 CB ALA A 26 -7.678 -4.096 6.122 1.00 0.00 C ATOM 0 H ALA A 26 -8.648 -6.217 5.382 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.144 -4.955 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.045 -3.276 6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.263 -3.771 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.350 -4.392 6.927 1.00 0.00 H new ATOM 372 N GLU A 27 -6.288 -6.925 7.415 1.00 0.00 N ATOM 373 CA GLU A 27 -5.542 -7.507 8.518 1.00 0.00 C ATOM 374 C GLU A 27 -4.157 -7.953 8.046 1.00 0.00 C ATOM 375 O GLU A 27 -3.151 -7.655 8.688 1.00 0.00 O ATOM 376 CB GLU A 27 -6.309 -8.673 9.145 1.00 0.00 C ATOM 377 CG GLU A 27 -6.331 -8.558 10.671 1.00 0.00 C ATOM 378 CD GLU A 27 -7.764 -8.426 11.190 1.00 0.00 C ATOM 379 OE1 GLU A 27 -8.702 -8.289 10.392 1.00 0.00 O ATOM 380 OE2 GLU A 27 -7.884 -8.471 12.473 1.00 0.00 O ATOM 0 H GLU A 27 -7.092 -7.472 7.108 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.414 -6.744 9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.330 -8.689 8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.846 -9.616 8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.860 -9.436 11.112 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.746 -7.692 10.983 1.00 0.00 H new ATOM 386 N THR A 28 -4.148 -8.662 6.925 1.00 0.00 N ATOM 387 CA THR A 28 -2.904 -9.152 6.359 1.00 0.00 C ATOM 388 C THR A 28 -1.825 -8.069 6.424 1.00 0.00 C ATOM 389 O THR A 28 -0.681 -8.348 6.781 1.00 0.00 O ATOM 390 CB THR A 28 -3.191 -9.638 4.937 1.00 0.00 C ATOM 391 OG1 THR A 28 -2.656 -10.959 4.908 1.00 0.00 O ATOM 392 CG2 THR A 28 -2.376 -8.883 3.884 1.00 0.00 C ATOM 0 H THR A 28 -4.984 -8.908 6.394 1.00 0.00 H new ATOM 0 HA THR A 28 -2.512 -9.992 6.933 1.00 0.00 H new ATOM 0 HB THR A 28 -4.254 -9.526 4.722 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.800 -11.351 4.021 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.618 -9.267 2.893 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.617 -7.821 3.930 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.313 -9.023 4.078 1.00 0.00 H new ATOM 400 N LEU A 29 -2.227 -6.856 6.076 1.00 0.00 N ATOM 401 CA LEU A 29 -1.310 -5.730 6.090 1.00 0.00 C ATOM 402 C LEU A 29 -1.069 -5.292 7.537 1.00 0.00 C ATOM 403 O LEU A 29 0.006 -4.794 7.868 1.00 0.00 O ATOM 404 CB LEU A 29 -1.822 -4.608 5.185 1.00 0.00 C ATOM 405 CG LEU A 29 -0.766 -3.893 4.340 1.00 0.00 C ATOM 406 CD1 LEU A 29 0.640 -4.154 4.882 1.00 0.00 C ATOM 407 CD2 LEU A 29 -0.892 -4.277 2.865 1.00 0.00 C ATOM 0 H LEU A 29 -3.177 -6.628 5.782 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.344 -6.022 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.574 -5.024 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.324 -3.867 5.807 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.943 -2.820 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.371 -3.634 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.708 -3.790 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.844 -5.225 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.130 -3.755 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.756 -5.353 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.880 -3.997 2.499 1.00 0.00 H new ATOM 418 N LYS A 30 -2.088 -5.494 8.360 1.00 0.00 N ATOM 419 CA LYS A 30 -2.002 -5.126 9.763 1.00 0.00 C ATOM 420 C LYS A 30 -0.727 -5.721 10.363 1.00 0.00 C ATOM 421 O LYS A 30 0.019 -5.029 11.054 1.00 0.00 O ATOM 422 CB LYS A 30 -3.279 -5.532 10.502 1.00 0.00 C ATOM 423 CG LYS A 30 -3.380 -4.817 11.851 1.00 0.00 C ATOM 424 CD LYS A 30 -3.763 -3.347 11.665 1.00 0.00 C ATOM 425 CE LYS A 30 -3.260 -2.497 12.833 1.00 0.00 C ATOM 426 NZ LYS A 30 -4.301 -1.536 13.262 1.00 0.00 N ATOM 0 H LYS A 30 -2.978 -5.908 8.082 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.930 -4.044 9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.149 -5.291 9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.287 -6.611 10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.123 -5.314 12.475 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.427 -4.885 12.375 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.343 -2.973 10.731 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.846 -3.257 11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.986 -3.142 13.668 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.360 -1.959 12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.863 -0.613 13.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.010 -1.433 12.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.762 -1.887 14.126 1.00 0.00 H new ATOM 435 N GLN A 31 -0.516 -6.997 10.078 1.00 0.00 N ATOM 436 CA GLN A 31 0.655 -7.694 10.583 1.00 0.00 C ATOM 437 C GLN A 31 1.923 -7.141 9.928 1.00 0.00 C ATOM 438 O GLN A 31 2.980 -7.092 10.556 1.00 0.00 O ATOM 439 CB GLN A 31 0.536 -9.202 10.358 1.00 0.00 C ATOM 440 CG GLN A 31 0.210 -9.515 8.896 1.00 0.00 C ATOM 441 CD GLN A 31 0.458 -10.992 8.583 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.583 -11.452 8.482 1.00 0.00 O ATOM 443 NE2 GLN A 31 -0.655 -11.707 8.436 1.00 0.00 N ATOM 0 H GLN A 31 -1.136 -7.567 9.503 1.00 0.00 H new ATOM 0 HA GLN A 31 0.719 -7.525 11.658 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.470 -9.690 10.638 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.243 -9.609 11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.831 -9.266 8.690 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.822 -8.893 8.242 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.566 -11.259 8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.597 -12.703 8.226 1.00 0.00 H new ATOM 450 N LYS A 32 1.776 -6.738 8.675 1.00 0.00 N ATOM 451 CA LYS A 32 2.897 -6.190 7.928 1.00 0.00 C ATOM 452 C LYS A 32 3.289 -4.837 8.525 1.00 0.00 C ATOM 453 O LYS A 32 4.363 -4.315 8.234 1.00 0.00 O ATOM 454 CB LYS A 32 2.569 -6.132 6.435 1.00 0.00 C ATOM 455 CG LYS A 32 3.491 -5.150 5.709 1.00 0.00 C ATOM 456 CD LYS A 32 4.935 -5.655 5.705 1.00 0.00 C ATOM 457 CE LYS A 32 5.801 -4.833 4.748 1.00 0.00 C ATOM 458 NZ LYS A 32 7.233 -5.153 4.940 1.00 0.00 N ATOM 0 H LYS A 32 0.898 -6.780 8.157 1.00 0.00 H new ATOM 0 HA LYS A 32 3.767 -6.841 8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.672 -7.125 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.531 -5.830 6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.147 -5.013 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.444 -4.175 6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.346 -5.599 6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.956 -6.704 5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.511 -5.039 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.634 -3.770 4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.764 -4.276 5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.340 -5.792 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.603 -5.616 4.085 1.00 0.00 H new ATOM 467 N VAL A 33 2.396 -4.309 9.349 1.00 0.00 N ATOM 468 CA VAL A 33 2.636 -3.027 9.990 1.00 0.00 C ATOM 469 C VAL A 33 3.844 -3.144 10.921 1.00 0.00 C ATOM 470 O VAL A 33 4.858 -2.479 10.715 1.00 0.00 O ATOM 471 CB VAL A 33 1.370 -2.557 10.710 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.562 -1.159 11.300 1.00 0.00 C ATOM 473 CG2 VAL A 33 0.161 -2.595 9.773 1.00 0.00 C ATOM 0 H VAL A 33 1.505 -4.745 9.588 1.00 0.00 H new ATOM 0 HA VAL A 33 2.872 -2.267 9.246 1.00 0.00 H new ATOM 0 HB VAL A 33 1.178 -3.245 11.534 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.648 -0.849 11.806 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.385 -1.176 12.015 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.791 -0.455 10.500 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.726 -2.256 10.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.341 -1.941 8.920 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.005 -3.615 9.422 1.00 0.00 H new ATOM 483 N THR A 34 3.696 -3.997 11.925 1.00 0.00 N ATOM 484 CA THR A 34 4.763 -4.210 12.889 1.00 0.00 C ATOM 485 C THR A 34 6.088 -4.468 12.169 1.00 0.00 C ATOM 486 O THR A 34 7.135 -3.983 12.596 1.00 0.00 O ATOM 487 CB THR A 34 4.342 -5.352 13.815 1.00 0.00 C ATOM 488 OG1 THR A 34 5.538 -6.103 14.006 1.00 0.00 O ATOM 489 CG2 THR A 34 3.389 -6.338 13.134 1.00 0.00 C ATOM 0 H THR A 34 2.854 -4.548 12.092 1.00 0.00 H new ATOM 0 HA THR A 34 4.928 -3.322 13.499 1.00 0.00 H new ATOM 0 HB THR A 34 3.864 -4.940 14.704 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.356 -6.864 14.597 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.121 -7.129 13.835 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.488 -5.813 12.818 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.879 -6.775 12.264 1.00 0.00 H new ATOM 497 N GLN A 35 5.999 -5.230 11.089 1.00 0.00 N ATOM 498 CA GLN A 35 7.179 -5.558 10.306 1.00 0.00 C ATOM 499 C GLN A 35 7.796 -4.288 9.719 1.00 0.00 C ATOM 500 O GLN A 35 9.009 -4.095 9.784 1.00 0.00 O ATOM 501 CB GLN A 35 6.842 -6.565 9.204 1.00 0.00 C ATOM 502 CG GLN A 35 5.744 -7.529 9.658 1.00 0.00 C ATOM 503 CD GLN A 35 5.967 -7.971 11.106 1.00 0.00 C ATOM 504 OE1 GLN A 35 7.084 -8.144 11.564 1.00 0.00 O ATOM 505 NE2 GLN A 35 4.844 -8.144 11.797 1.00 0.00 N ATOM 0 H GLN A 35 5.129 -5.630 10.738 1.00 0.00 H new ATOM 0 HA GLN A 35 7.912 -6.022 10.965 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.518 -6.035 8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.736 -7.127 8.935 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.771 -7.046 9.567 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.729 -8.402 9.006 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.941 -7.981 11.352 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.886 -8.439 12.772 1.00 0.00 H new ATOM 512 N SER A 36 6.934 -3.453 9.158 1.00 0.00 N ATOM 513 CA SER A 36 7.379 -2.206 8.559 1.00 0.00 C ATOM 514 C SER A 36 7.699 -1.186 9.653 1.00 0.00 C ATOM 515 O SER A 36 8.500 -0.277 9.444 1.00 0.00 O ATOM 516 CB SER A 36 6.324 -1.647 7.604 1.00 0.00 C ATOM 517 OG SER A 36 6.904 -1.144 6.403 1.00 0.00 O ATOM 0 H SER A 36 5.928 -3.616 9.106 1.00 0.00 H new ATOM 0 HA SER A 36 8.282 -2.406 7.982 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.605 -2.429 7.360 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.771 -0.850 8.101 1.00 0.00 H new ATOM 0 HG SER A 36 6.198 -0.798 5.819 1.00 0.00 H new ATOM 522 N LEU A 37 7.056 -1.370 10.797 1.00 0.00 N ATOM 523 CA LEU A 37 7.261 -0.477 11.924 1.00 0.00 C ATOM 524 C LEU A 37 8.762 -0.275 12.141 1.00 0.00 C ATOM 525 O LEU A 37 9.210 0.838 12.411 1.00 0.00 O ATOM 526 CB LEU A 37 6.526 -0.997 13.161 1.00 0.00 C ATOM 527 CG LEU A 37 5.365 -0.134 13.663 1.00 0.00 C ATOM 528 CD1 LEU A 37 4.773 -0.709 14.951 1.00 0.00 C ATOM 529 CD2 LEU A 37 5.799 1.323 13.832 1.00 0.00 C ATOM 0 H LEU A 37 6.392 -2.125 10.967 1.00 0.00 H new ATOM 0 HA LEU A 37 6.833 0.503 11.716 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.143 -1.993 12.940 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.249 -1.105 13.970 1.00 0.00 H new ATOM 0 HG LEU A 37 4.576 -0.150 12.911 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.950 -0.078 15.287 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.404 -1.717 14.763 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.543 -0.742 15.722 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.956 1.915 14.189 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.614 1.379 14.554 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.137 1.716 12.873 1.00 0.00 H new ATOM 540 N GLU A 38 9.500 -1.369 12.015 1.00 0.00 N ATOM 541 CA GLU A 38 10.941 -1.325 12.194 1.00 0.00 C ATOM 542 C GLU A 38 11.579 -2.613 11.669 1.00 0.00 C ATOM 543 O GLU A 38 11.929 -3.499 12.446 1.00 0.00 O ATOM 544 CB GLU A 38 11.304 -1.092 13.662 1.00 0.00 C ATOM 545 CG GLU A 38 10.181 -1.565 14.587 1.00 0.00 C ATOM 546 CD GLU A 38 9.976 -3.077 14.474 1.00 0.00 C ATOM 547 OE1 GLU A 38 9.349 -3.548 13.514 1.00 0.00 O ATOM 548 OE2 GLU A 38 10.499 -3.771 15.429 1.00 0.00 O ATOM 0 H GLU A 38 9.126 -2.291 11.791 1.00 0.00 H new ATOM 0 HA GLU A 38 11.335 -0.486 11.619 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.225 -1.624 13.901 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.495 -0.032 13.829 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.420 -1.303 15.618 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.255 -1.049 14.333 1.00 0.00 H new ATOM 554 N LYS A 39 11.714 -2.674 10.352 1.00 0.00 N ATOM 555 CA LYS A 39 12.305 -3.837 9.714 1.00 0.00 C ATOM 556 C LYS A 39 13.801 -3.882 10.029 1.00 0.00 C ATOM 557 O LYS A 39 14.329 -4.927 10.407 1.00 0.00 O ATOM 558 CB LYS A 39 11.992 -3.844 8.216 1.00 0.00 C ATOM 559 CG LYS A 39 12.525 -5.114 7.550 1.00 0.00 C ATOM 560 CD LYS A 39 11.429 -6.175 7.437 1.00 0.00 C ATOM 561 CE LYS A 39 11.583 -7.240 8.526 1.00 0.00 C ATOM 562 NZ LYS A 39 10.900 -8.492 8.127 1.00 0.00 N ATOM 0 H LYS A 39 11.424 -1.936 9.710 1.00 0.00 H new ATOM 0 HA LYS A 39 11.867 -4.752 10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.915 -3.775 8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.436 -2.968 7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.909 -4.875 6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.360 -5.509 8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.450 -5.703 7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.473 -6.645 6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.640 -7.436 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.165 -6.873 9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.014 -9.204 8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.888 -8.304 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.318 -8.849 7.244 1.00 0.00 H new ATOM 571 N ASP A 40 14.443 -2.734 9.862 1.00 0.00 N ATOM 572 CA ASP A 40 15.868 -2.630 10.125 1.00 0.00 C ATOM 573 C ASP A 40 16.346 -1.221 9.764 1.00 0.00 C ATOM 574 O ASP A 40 16.209 -0.293 10.560 1.00 0.00 O ATOM 575 CB ASP A 40 16.659 -3.627 9.277 1.00 0.00 C ATOM 576 CG ASP A 40 16.801 -5.024 9.885 1.00 0.00 C ATOM 577 OD1 ASP A 40 17.161 -5.174 11.062 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.519 -5.998 9.088 1.00 0.00 O ATOM 0 H ASP A 40 14.002 -1.869 9.548 1.00 0.00 H new ATOM 0 HA ASP A 40 16.033 -2.844 11.181 1.00 0.00 H new ATOM 0 HB2 ASP A 40 16.175 -3.718 8.305 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.655 -3.221 9.101 1.00 0.00 H new ATOM 583 N ASP A 41 16.896 -1.105 8.564 1.00 0.00 N ATOM 584 CA ASP A 41 17.394 0.174 8.090 1.00 0.00 C ATOM 585 C ASP A 41 16.220 1.026 7.603 1.00 0.00 C ATOM 586 O ASP A 41 15.435 1.524 8.408 1.00 0.00 O ATOM 587 CB ASP A 41 18.361 -0.011 6.919 1.00 0.00 C ATOM 588 CG ASP A 41 18.835 1.285 6.259 1.00 0.00 C ATOM 589 OD1 ASP A 41 18.317 2.375 6.548 1.00 0.00 O ATOM 590 OD2 ASP A 41 19.791 1.144 5.405 1.00 0.00 O ATOM 0 H ASP A 41 17.007 -1.876 7.906 1.00 0.00 H new ATOM 0 HA ASP A 41 17.915 0.659 8.915 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.233 -0.561 7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.878 -0.630 6.163 1.00 0.00 H new ATOM 595 N ILE A 42 16.137 1.165 6.288 1.00 0.00 N ATOM 596 CA ILE A 42 15.071 1.947 5.685 1.00 0.00 C ATOM 597 C ILE A 42 14.774 1.403 4.287 1.00 0.00 C ATOM 598 O ILE A 42 15.333 1.877 3.299 1.00 0.00 O ATOM 599 CB ILE A 42 15.424 3.436 5.702 1.00 0.00 C ATOM 600 CG1 ILE A 42 14.970 4.092 7.007 1.00 0.00 C ATOM 601 CG2 ILE A 42 14.855 4.149 4.474 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.460 3.938 7.201 1.00 0.00 C ATOM 0 H ILE A 42 16.790 0.750 5.624 1.00 0.00 H new ATOM 0 HA ILE A 42 14.154 1.853 6.266 1.00 0.00 H new ATOM 0 HB ILE A 42 16.509 3.530 5.655 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.496 3.640 7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.233 5.150 6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.120 5.206 4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.269 3.703 3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.770 4.048 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.163 4.413 8.136 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.936 4.412 6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.204 2.879 7.234 1.00 0.00 H new ATOM 613 N ARG A 43 13.892 0.414 4.248 1.00 0.00 N ATOM 614 CA ARG A 43 13.513 -0.201 2.986 1.00 0.00 C ATOM 615 C ARG A 43 12.462 0.653 2.275 1.00 0.00 C ATOM 616 O ARG A 43 12.239 1.805 2.643 1.00 0.00 O ATOM 617 CB ARG A 43 12.954 -1.608 3.207 1.00 0.00 C ATOM 618 CG ARG A 43 14.001 -2.673 2.869 1.00 0.00 C ATOM 619 CD ARG A 43 13.366 -3.849 2.124 1.00 0.00 C ATOM 620 NE ARG A 43 13.353 -5.048 2.989 1.00 0.00 N ATOM 621 CZ ARG A 43 14.430 -5.830 3.216 1.00 0.00 C ATOM 622 NH1 ARG A 43 15.617 -5.544 2.641 1.00 0.00 N ATOM 623 NH2 ARG A 43 14.305 -6.879 4.007 1.00 0.00 N ATOM 0 H ARG A 43 13.429 0.024 5.069 1.00 0.00 H new ATOM 0 HA ARG A 43 14.408 -0.271 2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.639 -1.719 4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.069 -1.753 2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.788 -2.233 2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.471 -3.030 3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.349 -3.595 1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.924 -4.055 1.211 1.00 0.00 H new ATOM 0 HE ARG A 43 12.475 -5.300 3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.705 -4.732 2.030 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.426 -6.140 2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.404 -7.089 4.437 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.109 -7.480 4.188 1.00 0.00 H new ATOM 633 N HIS A 44 11.843 0.054 1.267 1.00 0.00 N ATOM 634 CA HIS A 44 10.820 0.746 0.501 1.00 0.00 C ATOM 635 C HIS A 44 9.582 -0.145 0.377 1.00 0.00 C ATOM 636 O HIS A 44 9.667 -1.360 0.548 1.00 0.00 O ATOM 637 CB HIS A 44 11.367 1.191 -0.857 1.00 0.00 C ATOM 638 CG HIS A 44 12.409 2.282 -0.771 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.251 3.408 0.018 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.622 2.407 -1.382 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.326 4.169 -0.120 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.174 3.547 -0.989 1.00 0.00 N ATOM 0 H HIS A 44 12.030 -0.902 0.964 1.00 0.00 H new ATOM 0 HA HIS A 44 10.521 1.655 1.024 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.800 0.328 -1.364 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.539 1.541 -1.474 1.00 0.00 H new ATOM 0 HD1 HIS A 44 11.444 3.616 0.606 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.059 1.698 -2.069 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.501 5.116 0.369 1.00 0.00 H new ATOM 649 N ILE A 45 8.460 0.495 0.083 1.00 0.00 N ATOM 650 CA ILE A 45 7.206 -0.224 -0.066 1.00 0.00 C ATOM 651 C ILE A 45 6.870 -0.354 -1.553 1.00 0.00 C ATOM 652 O ILE A 45 7.380 0.404 -2.376 1.00 0.00 O ATOM 653 CB ILE A 45 6.104 0.446 0.758 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.921 1.908 0.343 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.377 0.306 2.256 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.435 2.142 -1.080 1.00 0.00 C ATOM 0 H ILE A 45 8.393 1.503 -0.056 1.00 0.00 H new ATOM 0 HA ILE A 45 7.298 -1.236 0.329 1.00 0.00 H new ATOM 0 HB ILE A 45 5.165 -0.067 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.866 2.177 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.455 2.557 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.579 0.791 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.418 -0.750 2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.329 0.778 2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.293 3.188 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.495 1.895 -1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.883 1.510 -1.775 1.00 0.00 H new ATOM 667 N VAL A 46 6.013 -1.320 -1.852 1.00 0.00 N ATOM 668 CA VAL A 46 5.604 -1.558 -3.225 1.00 0.00 C ATOM 669 C VAL A 46 4.265 -2.300 -3.232 1.00 0.00 C ATOM 670 O VAL A 46 4.229 -3.522 -3.362 1.00 0.00 O ATOM 671 CB VAL A 46 6.705 -2.307 -3.977 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.109 -3.312 -4.965 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.645 -1.331 -4.689 1.00 0.00 C ATOM 0 H VAL A 46 5.591 -1.946 -1.166 1.00 0.00 H new ATOM 0 HA VAL A 46 5.456 -0.613 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 46 7.291 -2.863 -3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.914 -3.831 -5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.501 -4.037 -4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.488 -2.785 -5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.419 -1.890 -5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.077 -0.735 -5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.109 -0.672 -3.955 1.00 0.00 H new ATOM 683 N LEU A 47 3.197 -1.528 -3.090 1.00 0.00 N ATOM 684 CA LEU A 47 1.860 -2.097 -3.078 1.00 0.00 C ATOM 685 C LEU A 47 1.389 -2.312 -4.517 1.00 0.00 C ATOM 686 O LEU A 47 1.842 -1.625 -5.432 1.00 0.00 O ATOM 687 CB LEU A 47 0.915 -1.226 -2.246 1.00 0.00 C ATOM 688 CG LEU A 47 1.042 -1.361 -0.727 1.00 0.00 C ATOM 689 CD1 LEU A 47 2.496 -1.607 -0.317 1.00 0.00 C ATOM 690 CD2 LEU A 47 0.443 -0.147 -0.016 1.00 0.00 C ATOM 0 H LEU A 47 3.231 -0.514 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 47 1.866 -3.074 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.084 -0.183 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.110 -1.465 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 47 0.468 -2.233 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.558 -1.699 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.854 -2.526 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.113 -0.771 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.547 -0.269 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.968 0.755 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.613 -0.060 -0.271 1.00 0.00 H new ATOM 701 N ASN A 48 0.486 -3.268 -4.674 1.00 0.00 N ATOM 702 CA ASN A 48 -0.051 -3.582 -5.987 1.00 0.00 C ATOM 703 C ASN A 48 -1.108 -4.681 -5.851 1.00 0.00 C ATOM 704 O ASN A 48 -0.775 -5.841 -5.613 1.00 0.00 O ATOM 705 CB ASN A 48 1.046 -4.095 -6.922 1.00 0.00 C ATOM 706 CG ASN A 48 0.452 -4.939 -8.052 1.00 0.00 C ATOM 707 OD1 ASN A 48 -0.705 -4.812 -8.415 1.00 0.00 O ATOM 708 ND2 ASN A 48 1.309 -5.806 -8.586 1.00 0.00 N ATOM 0 H ASN A 48 0.112 -3.836 -3.913 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.482 -2.671 -6.402 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.594 -3.252 -7.342 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.762 -4.691 -6.356 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.010 -6.416 -9.347 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.265 -5.861 -8.234 1.00 0.00 H new ATOM 714 N LEU A 49 -2.360 -4.277 -6.008 1.00 0.00 N ATOM 715 CA LEU A 49 -3.467 -5.212 -5.906 1.00 0.00 C ATOM 716 C LEU A 49 -4.053 -5.456 -7.298 1.00 0.00 C ATOM 717 O LEU A 49 -4.485 -4.519 -7.966 1.00 0.00 O ATOM 718 CB LEU A 49 -4.493 -4.718 -4.885 1.00 0.00 C ATOM 719 CG LEU A 49 -5.921 -4.532 -5.404 1.00 0.00 C ATOM 720 CD1 LEU A 49 -6.885 -5.497 -4.713 1.00 0.00 C ATOM 721 CD2 LEU A 49 -6.370 -3.076 -5.266 1.00 0.00 C ATOM 0 H LEU A 49 -2.632 -3.314 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.119 -6.175 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.519 -5.424 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.147 -3.766 -4.483 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.932 -4.772 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.892 -5.344 -5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.574 -6.523 -4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.877 -5.312 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.388 -2.972 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.339 -2.784 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.703 -2.434 -5.841 1.00 0.00 H new ATOM 732 N GLU A 50 -4.048 -6.721 -7.693 1.00 0.00 N ATOM 733 CA GLU A 50 -4.574 -7.100 -8.993 1.00 0.00 C ATOM 734 C GLU A 50 -5.953 -7.745 -8.841 1.00 0.00 C ATOM 735 O GLU A 50 -6.742 -7.762 -9.784 1.00 0.00 O ATOM 736 CB GLU A 50 -3.609 -8.037 -9.723 1.00 0.00 C ATOM 737 CG GLU A 50 -3.233 -7.476 -11.095 1.00 0.00 C ATOM 738 CD GLU A 50 -4.171 -8.008 -12.181 1.00 0.00 C ATOM 739 OE1 GLU A 50 -5.382 -8.135 -11.946 1.00 0.00 O ATOM 740 OE2 GLU A 50 -3.600 -8.295 -13.302 1.00 0.00 O ATOM 0 H GLU A 50 -3.688 -7.496 -7.136 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.681 -6.198 -9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.709 -8.176 -9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.069 -9.018 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.279 -6.387 -11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.204 -7.747 -11.333 1.00 0.00 H new ATOM 746 N ASP A 51 -6.201 -8.261 -7.645 1.00 0.00 N ATOM 747 CA ASP A 51 -7.472 -8.905 -7.358 1.00 0.00 C ATOM 748 C ASP A 51 -8.334 -7.967 -6.511 1.00 0.00 C ATOM 749 O ASP A 51 -8.627 -8.262 -5.353 1.00 0.00 O ATOM 750 CB ASP A 51 -7.267 -10.199 -6.568 1.00 0.00 C ATOM 751 CG ASP A 51 -8.550 -10.856 -6.058 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.639 -10.267 -6.126 1.00 0.00 O ATOM 753 OD2 ASP A 51 -8.399 -12.040 -5.567 1.00 0.00 O ATOM 0 H ASP A 51 -5.544 -8.246 -6.865 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.956 -9.134 -8.307 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.738 -10.912 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.621 -9.988 -5.716 1.00 0.00 H new ATOM 758 N LEU A 52 -8.718 -6.855 -7.122 1.00 0.00 N ATOM 759 CA LEU A 52 -9.542 -5.872 -6.440 1.00 0.00 C ATOM 760 C LEU A 52 -11.015 -6.145 -6.747 1.00 0.00 C ATOM 761 O LEU A 52 -11.403 -6.241 -7.911 1.00 0.00 O ATOM 762 CB LEU A 52 -9.091 -4.455 -6.798 1.00 0.00 C ATOM 763 CG LEU A 52 -9.983 -3.319 -6.292 1.00 0.00 C ATOM 764 CD1 LEU A 52 -11.407 -3.458 -6.834 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.957 -3.239 -4.764 1.00 0.00 C ATOM 0 H LEU A 52 -8.473 -6.614 -8.082 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.421 -5.957 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.086 -4.304 -6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.022 -4.380 -7.883 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.584 -2.378 -6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.020 -2.639 -6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.386 -3.427 -7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.830 -4.407 -6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.599 -2.423 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.317 -4.178 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.937 -3.058 -4.426 1.00 0.00 H new ATOM 776 N SER A 53 -11.797 -6.262 -5.684 1.00 0.00 N ATOM 777 CA SER A 53 -13.219 -6.523 -5.826 1.00 0.00 C ATOM 778 C SER A 53 -14.011 -5.652 -4.847 1.00 0.00 C ATOM 779 O SER A 53 -14.419 -4.544 -5.189 1.00 0.00 O ATOM 780 CB SER A 53 -13.534 -8.001 -5.596 1.00 0.00 C ATOM 781 OG SER A 53 -14.912 -8.214 -5.297 1.00 0.00 O ATOM 0 H SER A 53 -11.472 -6.181 -4.720 1.00 0.00 H new ATOM 0 HA SER A 53 -13.512 -6.272 -6.845 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.264 -8.572 -6.484 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.923 -8.379 -4.776 1.00 0.00 H new ATOM 0 HG SER A 53 -15.073 -9.171 -5.159 1.00 0.00 H new ATOM 786 N PHE A 54 -14.203 -6.188 -3.652 1.00 0.00 N ATOM 787 CA PHE A 54 -14.939 -5.474 -2.621 1.00 0.00 C ATOM 788 C PHE A 54 -14.254 -4.149 -2.278 1.00 0.00 C ATOM 789 O PHE A 54 -14.808 -3.078 -2.524 1.00 0.00 O ATOM 790 CB PHE A 54 -14.947 -6.366 -1.379 1.00 0.00 C ATOM 791 CG PHE A 54 -15.469 -5.672 -0.118 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.164 -4.508 -0.222 1.00 0.00 C ATOM 793 CD2 PHE A 54 -15.237 -6.220 1.105 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.649 -3.864 0.948 1.00 0.00 C ATOM 795 CE2 PHE A 54 -15.720 -5.575 2.274 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.416 -4.411 2.171 1.00 0.00 C ATOM 0 H PHE A 54 -13.862 -7.108 -3.373 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.948 -5.252 -2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.561 -7.244 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.934 -6.721 -1.193 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.347 -4.073 -1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.686 -7.145 1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.203 -2.940 0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.535 -6.009 3.245 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.784 -3.921 3.061 1.00 0.00 H new ATOM 805 N MET A 55 -13.060 -4.264 -1.715 1.00 0.00 N ATOM 806 CA MET A 55 -12.295 -3.089 -1.335 1.00 0.00 C ATOM 807 C MET A 55 -13.202 -2.015 -0.731 1.00 0.00 C ATOM 808 O MET A 55 -13.781 -1.207 -1.456 1.00 0.00 O ATOM 809 CB MET A 55 -11.583 -2.523 -2.566 1.00 0.00 C ATOM 810 CG MET A 55 -11.730 -1.002 -2.633 1.00 0.00 C ATOM 811 SD MET A 55 -13.169 -0.568 -3.595 1.00 0.00 S ATOM 812 CE MET A 55 -13.250 -1.979 -4.685 1.00 0.00 C ATOM 0 H MET A 55 -12.604 -5.154 -1.513 1.00 0.00 H new ATOM 0 HA MET A 55 -11.562 -3.383 -0.584 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.526 -2.789 -2.534 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.997 -2.972 -3.469 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.818 -0.593 -1.627 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.838 -0.562 -3.079 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.943 -1.770 -5.500 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.260 -2.180 -5.094 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.596 -2.850 -4.128 1.00 0.00 H new ATOM 820 N ASP A 56 -13.298 -2.042 0.590 1.00 0.00 N ATOM 821 CA ASP A 56 -14.125 -1.081 1.299 1.00 0.00 C ATOM 822 C ASP A 56 -13.229 -0.027 1.952 1.00 0.00 C ATOM 823 O ASP A 56 -12.082 0.156 1.545 1.00 0.00 O ATOM 824 CB ASP A 56 -14.936 -1.761 2.404 1.00 0.00 C ATOM 825 CG ASP A 56 -16.415 -1.374 2.452 1.00 0.00 C ATOM 826 OD1 ASP A 56 -16.935 -0.721 1.535 1.00 0.00 O ATOM 827 OD2 ASP A 56 -17.050 -1.776 3.502 1.00 0.00 O ATOM 0 H ASP A 56 -12.817 -2.714 1.188 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.806 -0.627 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.863 -2.841 2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.482 -1.523 3.366 1.00 0.00 H new ATOM 832 N SER A 57 -13.785 0.640 2.953 1.00 0.00 N ATOM 833 CA SER A 57 -13.050 1.671 3.665 1.00 0.00 C ATOM 834 C SER A 57 -12.443 1.091 4.944 1.00 0.00 C ATOM 835 O SER A 57 -12.145 1.828 5.883 1.00 0.00 O ATOM 836 CB SER A 57 -13.953 2.860 3.998 1.00 0.00 C ATOM 837 OG SER A 57 -14.651 2.673 5.227 1.00 0.00 O ATOM 0 H SER A 57 -14.736 0.486 3.288 1.00 0.00 H new ATOM 0 HA SER A 57 -12.248 2.028 3.019 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.351 3.767 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.672 3.006 3.192 1.00 0.00 H new ATOM 0 HG SER A 57 -15.215 3.454 5.405 1.00 0.00 H new ATOM 842 N SER A 58 -12.277 -0.223 4.939 1.00 0.00 N ATOM 843 CA SER A 58 -11.709 -0.910 6.088 1.00 0.00 C ATOM 844 C SER A 58 -10.190 -0.727 6.108 1.00 0.00 C ATOM 845 O SER A 58 -9.639 -0.199 7.072 1.00 0.00 O ATOM 846 CB SER A 58 -12.065 -2.398 6.070 1.00 0.00 C ATOM 847 OG SER A 58 -13.380 -2.626 5.570 1.00 0.00 O ATOM 0 H SER A 58 -12.525 -0.831 4.158 1.00 0.00 H new ATOM 0 HA SER A 58 -12.133 -0.474 6.993 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.344 -2.936 5.454 1.00 0.00 H new ATOM 0 HB3 SER A 58 -11.986 -2.802 7.079 1.00 0.00 H new ATOM 0 HG SER A 58 -13.918 -3.073 6.256 1.00 0.00 H new ATOM 852 N GLY A 59 -9.558 -1.177 5.034 1.00 0.00 N ATOM 853 CA GLY A 59 -8.113 -1.069 4.917 1.00 0.00 C ATOM 854 C GLY A 59 -7.692 0.373 4.631 1.00 0.00 C ATOM 855 O GLY A 59 -6.533 0.736 4.831 1.00 0.00 O ATOM 0 H GLY A 59 -10.019 -1.617 4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.643 -1.413 5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.760 -1.720 4.117 1.00 0.00 H new ATOM 859 N LEU A 60 -8.655 1.157 4.168 1.00 0.00 N ATOM 860 CA LEU A 60 -8.398 2.552 3.853 1.00 0.00 C ATOM 861 C LEU A 60 -7.702 3.219 5.041 1.00 0.00 C ATOM 862 O LEU A 60 -6.743 3.967 4.864 1.00 0.00 O ATOM 863 CB LEU A 60 -9.689 3.251 3.424 1.00 0.00 C ATOM 864 CG LEU A 60 -9.619 4.050 2.121 1.00 0.00 C ATOM 865 CD1 LEU A 60 -9.056 5.451 2.367 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.824 3.292 1.055 1.00 0.00 C ATOM 0 H LEU A 60 -9.614 0.852 4.004 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.722 2.632 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.470 2.498 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.997 3.925 4.224 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.633 4.172 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.017 5.998 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.698 5.983 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.051 5.372 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.789 3.882 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.809 3.118 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.306 2.336 0.853 1.00 0.00 H new ATOM 877 N GLY A 61 -8.215 2.925 6.227 1.00 0.00 N ATOM 878 CA GLY A 61 -7.655 3.487 7.445 1.00 0.00 C ATOM 879 C GLY A 61 -6.423 2.701 7.896 1.00 0.00 C ATOM 880 O GLY A 61 -5.494 3.269 8.469 1.00 0.00 O ATOM 0 H GLY A 61 -9.012 2.305 6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.384 4.530 7.278 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.407 3.476 8.234 1.00 0.00 H new ATOM 884 N VAL A 62 -6.454 1.405 7.621 1.00 0.00 N ATOM 885 CA VAL A 62 -5.351 0.534 7.992 1.00 0.00 C ATOM 886 C VAL A 62 -4.121 0.895 7.157 1.00 0.00 C ATOM 887 O VAL A 62 -2.993 0.586 7.541 1.00 0.00 O ATOM 888 CB VAL A 62 -5.767 -0.930 7.843 1.00 0.00 C ATOM 889 CG1 VAL A 62 -4.986 -1.610 6.717 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.598 -1.686 9.162 1.00 0.00 C ATOM 0 H VAL A 62 -7.226 0.937 7.146 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.086 0.676 9.040 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.824 -0.952 7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.301 -2.650 6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.180 -1.094 5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.920 -1.571 6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.901 -2.724 9.028 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.553 -1.650 9.471 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.219 -1.223 9.929 1.00 0.00 H new ATOM 900 N ILE A 63 -4.378 1.541 6.030 1.00 0.00 N ATOM 901 CA ILE A 63 -3.305 1.947 5.139 1.00 0.00 C ATOM 902 C ILE A 63 -2.911 3.393 5.446 1.00 0.00 C ATOM 903 O ILE A 63 -1.740 3.755 5.350 1.00 0.00 O ATOM 904 CB ILE A 63 -3.705 1.715 3.680 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.410 0.276 3.253 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.033 2.735 2.759 1.00 0.00 C ATOM 907 CD1 ILE A 63 -4.633 -0.360 2.588 1.00 0.00 C ATOM 0 H ILE A 63 -5.314 1.794 5.713 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.419 1.334 5.305 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.781 1.862 3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.568 0.263 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.117 -0.312 4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.334 2.548 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.336 3.741 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.950 2.643 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.397 -1.383 2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.466 -0.368 3.291 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.908 0.217 1.705 1.00 0.00 H new ATOM 918 N LEU A 64 -3.912 4.182 5.807 1.00 0.00 N ATOM 919 CA LEU A 64 -3.685 5.581 6.129 1.00 0.00 C ATOM 920 C LEU A 64 -2.943 5.679 7.464 1.00 0.00 C ATOM 921 O LEU A 64 -1.980 6.432 7.588 1.00 0.00 O ATOM 922 CB LEU A 64 -5.003 6.358 6.099 1.00 0.00 C ATOM 923 CG LEU A 64 -4.921 7.798 5.587 1.00 0.00 C ATOM 924 CD1 LEU A 64 -5.555 7.924 4.201 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.538 8.772 6.591 1.00 0.00 C ATOM 0 H LEU A 64 -4.883 3.879 5.884 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.050 6.047 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.710 5.811 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.415 6.375 7.108 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.869 8.065 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.483 8.957 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.031 7.274 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.604 7.631 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.467 9.788 6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.586 8.516 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.002 8.707 7.538 1.00 0.00 H new ATOM 936 N GLY A 65 -3.421 4.906 8.428 1.00 0.00 N ATOM 937 CA GLY A 65 -2.815 4.896 9.748 1.00 0.00 C ATOM 938 C GLY A 65 -1.382 4.366 9.690 1.00 0.00 C ATOM 939 O GLY A 65 -0.615 4.533 10.637 1.00 0.00 O ATOM 0 H GLY A 65 -4.221 4.282 8.321 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.817 5.905 10.160 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.409 4.276 10.420 1.00 0.00 H new ATOM 943 N ARG A 66 -1.062 3.737 8.568 1.00 0.00 N ATOM 944 CA ARG A 66 0.265 3.181 8.374 1.00 0.00 C ATOM 945 C ARG A 66 1.113 4.120 7.513 1.00 0.00 C ATOM 946 O ARG A 66 2.276 4.374 7.826 1.00 0.00 O ATOM 947 CB ARG A 66 0.195 1.808 7.703 1.00 0.00 C ATOM 948 CG ARG A 66 0.549 0.694 8.691 1.00 0.00 C ATOM 949 CD ARG A 66 -0.711 0.113 9.334 1.00 0.00 C ATOM 950 NE ARG A 66 -1.714 1.181 9.540 1.00 0.00 N ATOM 951 CZ ARG A 66 -2.897 0.999 10.164 1.00 0.00 C ATOM 952 NH1 ARG A 66 -3.236 -0.214 10.649 1.00 0.00 N ATOM 953 NH2 ARG A 66 -3.718 2.024 10.293 1.00 0.00 N ATOM 0 H ARG A 66 -1.700 3.601 7.784 1.00 0.00 H new ATOM 0 HA ARG A 66 0.724 3.069 9.356 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.808 1.643 7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.880 1.778 6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.095 -0.095 8.175 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.210 1.085 9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.126 -0.669 8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.461 -0.351 10.288 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.498 2.114 9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.596 -1.002 10.545 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.132 -0.343 11.119 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.455 2.938 9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.616 1.903 10.762 1.00 0.00 H new ATOM 963 N TYR A 67 0.499 4.609 6.447 1.00 0.00 N ATOM 964 CA TYR A 67 1.183 5.514 5.538 1.00 0.00 C ATOM 965 C TYR A 67 2.013 6.540 6.310 1.00 0.00 C ATOM 966 O TYR A 67 3.088 6.937 5.863 1.00 0.00 O ATOM 967 CB TYR A 67 0.083 6.243 4.763 1.00 0.00 C ATOM 968 CG TYR A 67 0.432 6.519 3.299 1.00 0.00 C ATOM 969 CD1 TYR A 67 1.170 7.638 2.965 1.00 0.00 C ATOM 970 CD2 TYR A 67 0.012 5.651 2.313 1.00 0.00 C ATOM 971 CE1 TYR A 67 1.499 7.899 1.588 1.00 0.00 C ATOM 972 CE2 TYR A 67 0.341 5.912 0.936 1.00 0.00 C ATOM 973 CZ TYR A 67 1.068 7.023 0.641 1.00 0.00 C ATOM 974 OH TYR A 67 1.380 7.268 -0.660 1.00 0.00 O ATOM 0 H TYR A 67 -0.465 4.396 6.191 1.00 0.00 H new ATOM 0 HA TYR A 67 1.860 4.964 4.884 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.830 5.649 4.802 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.131 7.189 5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.500 8.317 3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.564 4.775 2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.075 8.770 1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.018 5.240 0.154 1.00 0.00 H new ATOM 0 HH TYR A 67 0.967 6.586 -1.229 1.00 0.00 H new ATOM 983 N LYS A 68 1.482 6.944 7.456 1.00 0.00 N ATOM 984 CA LYS A 68 2.161 7.917 8.294 1.00 0.00 C ATOM 985 C LYS A 68 3.301 7.229 9.047 1.00 0.00 C ATOM 986 O LYS A 68 4.367 7.812 9.235 1.00 0.00 O ATOM 987 CB LYS A 68 1.160 8.628 9.207 1.00 0.00 C ATOM 988 CG LYS A 68 -0.076 9.075 8.424 1.00 0.00 C ATOM 989 CD LYS A 68 -0.055 10.586 8.182 1.00 0.00 C ATOM 990 CE LYS A 68 0.107 11.350 9.498 1.00 0.00 C ATOM 991 NZ LYS A 68 1.383 12.101 9.508 1.00 0.00 N ATOM 0 H LYS A 68 0.589 6.615 7.823 1.00 0.00 H new ATOM 0 HA LYS A 68 2.611 8.699 7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.861 7.960 10.015 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.635 9.494 9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.115 8.551 7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.977 8.804 8.974 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.763 10.839 7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.979 10.892 7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.728 12.038 9.631 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.082 10.653 10.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.644 12.328 10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.130 11.521 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.272 12.982 8.966 1.00 0.00 H new ATOM 1000 N GLN A 69 3.036 5.997 9.458 1.00 0.00 N ATOM 1001 CA GLN A 69 4.027 5.224 10.188 1.00 0.00 C ATOM 1002 C GLN A 69 5.177 4.827 9.261 1.00 0.00 C ATOM 1003 O GLN A 69 6.345 5.029 9.593 1.00 0.00 O ATOM 1004 CB GLN A 69 3.392 3.989 10.831 1.00 0.00 C ATOM 1005 CG GLN A 69 4.464 3.037 11.364 1.00 0.00 C ATOM 1006 CD GLN A 69 4.348 1.659 10.707 1.00 0.00 C ATOM 1007 OE1 GLN A 69 3.656 0.773 11.180 1.00 0.00 O ATOM 1008 NE2 GLN A 69 5.064 1.530 9.594 1.00 0.00 N ATOM 0 H GLN A 69 2.151 5.516 9.300 1.00 0.00 H new ATOM 0 HA GLN A 69 4.428 5.846 10.988 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.735 4.295 11.645 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.772 3.471 10.099 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.453 3.453 11.173 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.363 2.938 12.445 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.622 2.313 9.253 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.055 0.648 9.081 1.00 0.00 H new ATOM 1090 N GLY A 75 11.105 6.540 4.773 1.00 0.00 N ATOM 1091 CA GLY A 75 11.026 6.018 3.419 1.00 0.00 C ATOM 1092 C GLY A 75 9.922 6.719 2.625 1.00 0.00 C ATOM 1093 O GLY A 75 9.727 7.926 2.761 1.00 0.00 O ATOM 0 HA2 GLY A 75 11.983 6.155 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.832 4.946 3.449 1.00 0.00 H new ATOM 1097 N GLU A 76 9.230 5.933 1.814 1.00 0.00 N ATOM 1098 CA GLU A 76 8.152 6.464 0.998 1.00 0.00 C ATOM 1099 C GLU A 76 7.087 5.389 0.760 1.00 0.00 C ATOM 1100 O GLU A 76 7.395 4.199 0.742 1.00 0.00 O ATOM 1101 CB GLU A 76 8.685 7.010 -0.329 1.00 0.00 C ATOM 1102 CG GLU A 76 10.198 7.223 -0.264 1.00 0.00 C ATOM 1103 CD GLU A 76 10.534 8.565 0.392 1.00 0.00 C ATOM 1104 OE1 GLU A 76 11.628 8.724 0.954 1.00 0.00 O ATOM 1105 OE2 GLU A 76 9.612 9.462 0.301 1.00 0.00 O ATOM 0 H GLU A 76 9.395 4.932 1.705 1.00 0.00 H new ATOM 0 HA GLU A 76 7.691 7.293 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.446 6.316 -1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.191 7.953 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.659 6.412 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.617 7.190 -1.270 1.00 0.00 H new ATOM 1111 N MET A 77 5.857 5.850 0.586 1.00 0.00 N ATOM 1112 CA MET A 77 4.746 4.944 0.350 1.00 0.00 C ATOM 1113 C MET A 77 4.258 5.039 -1.097 1.00 0.00 C ATOM 1114 O MET A 77 3.947 6.125 -1.580 1.00 0.00 O ATOM 1115 CB MET A 77 3.597 5.288 1.301 1.00 0.00 C ATOM 1116 CG MET A 77 4.067 5.275 2.757 1.00 0.00 C ATOM 1117 SD MET A 77 5.083 6.705 3.082 1.00 0.00 S ATOM 1118 CE MET A 77 6.600 5.903 3.573 1.00 0.00 C ATOM 0 H MET A 77 5.606 6.838 0.604 1.00 0.00 H new ATOM 0 HA MET A 77 5.087 3.925 0.531 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.197 6.271 1.053 1.00 0.00 H new ATOM 0 HB3 MET A 77 2.786 4.572 1.171 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.206 5.270 3.426 1.00 0.00 H new ATOM 0 HG3 MET A 77 4.631 4.364 2.958 1.00 0.00 H new ATOM 0 HE1 MET A 77 7.435 6.590 3.437 1.00 0.00 H new ATOM 0 HE2 MET A 77 6.536 5.614 4.622 1.00 0.00 H new ATOM 0 HE3 MET A 77 6.757 5.015 2.961 1.00 0.00 H new ATOM 1126 N VAL A 78 4.206 3.885 -1.746 1.00 0.00 N ATOM 1127 CA VAL A 78 3.761 3.824 -3.129 1.00 0.00 C ATOM 1128 C VAL A 78 2.717 2.715 -3.276 1.00 0.00 C ATOM 1129 O VAL A 78 2.931 1.592 -2.823 1.00 0.00 O ATOM 1130 CB VAL A 78 4.964 3.640 -4.057 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.523 3.595 -5.522 1.00 0.00 C ATOM 1132 CG2 VAL A 78 6.004 4.738 -3.832 1.00 0.00 C ATOM 0 H VAL A 78 4.464 2.985 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 78 3.283 4.760 -3.419 1.00 0.00 H new ATOM 0 HB VAL A 78 5.430 2.684 -3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.396 3.464 -6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.836 2.761 -5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.022 4.528 -5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.848 4.583 -4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.555 5.711 -4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.352 4.704 -2.799 1.00 0.00 H new ATOM 1142 N VAL A 79 1.610 3.071 -3.910 1.00 0.00 N ATOM 1143 CA VAL A 79 0.532 2.120 -4.122 1.00 0.00 C ATOM 1144 C VAL A 79 -0.015 2.283 -5.541 1.00 0.00 C ATOM 1145 O VAL A 79 -0.243 3.403 -5.998 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.541 2.295 -3.045 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.074 3.730 -3.032 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.678 1.289 -3.233 1.00 0.00 C ATOM 0 H VAL A 79 1.436 4.004 -4.284 1.00 0.00 H new ATOM 0 HA VAL A 79 0.902 1.099 -4.031 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.079 2.099 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.835 3.828 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.256 4.420 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.511 3.965 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.426 1.436 -2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.137 1.438 -4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.282 0.276 -3.169 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.209 1.150 -6.201 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.725 1.154 -7.560 1.00 0.00 C ATOM 1160 C CYS A 80 -1.959 0.251 -7.607 1.00 0.00 C ATOM 1161 O CYS A 80 -2.489 -0.138 -6.567 1.00 0.00 O ATOM 1162 CB CYS A 80 0.339 0.720 -8.570 1.00 0.00 C ATOM 1163 SG CYS A 80 0.929 -0.966 -8.172 1.00 0.00 S ATOM 0 H CYS A 80 -0.018 0.223 -5.820 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.007 2.168 -7.842 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.075 0.741 -9.578 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.174 1.420 -8.554 1.00 0.00 H new ATOM 0 HG CYS A 80 1.096 -1.075 -6.887 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.381 -0.056 -8.826 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.543 -0.906 -9.022 1.00 0.00 C ATOM 1170 C ALA A 81 -4.810 -0.117 -8.687 1.00 0.00 C ATOM 1171 O ALA A 81 -5.668 -0.599 -7.949 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.401 -2.170 -8.172 1.00 0.00 C ATOM 0 H ALA A 81 -1.939 0.269 -9.686 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.617 -1.220 -10.063 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.273 -2.807 -8.319 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.502 -2.710 -8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.327 -1.895 -7.120 1.00 0.00 H new ATOM 1178 N ILE A 82 -4.886 1.082 -9.244 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.033 1.943 -9.014 1.00 0.00 C ATOM 1180 C ILE A 82 -7.236 1.403 -9.791 1.00 0.00 C ATOM 1181 O ILE A 82 -7.094 0.494 -10.607 1.00 0.00 O ATOM 1182 CB ILE A 82 -5.689 3.396 -9.347 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -6.677 4.360 -8.686 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -5.608 3.607 -10.861 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.884 4.006 -7.212 1.00 0.00 C ATOM 0 H ILE A 82 -4.171 1.478 -9.855 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.306 1.938 -7.959 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.703 3.616 -8.938 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.306 5.381 -8.770 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.632 4.324 -9.210 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.362 4.648 -11.071 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.835 2.961 -11.278 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.569 3.363 -11.314 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.590 4.706 -6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.278 2.993 -7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.931 4.067 -6.686 1.00 0.00 H new ATOM 1196 N SER A 83 -8.393 1.984 -9.509 1.00 0.00 N ATOM 1197 CA SER A 83 -9.619 1.572 -10.171 1.00 0.00 C ATOM 1198 C SER A 83 -10.641 2.710 -10.134 1.00 0.00 C ATOM 1199 O SER A 83 -10.568 3.587 -9.276 1.00 0.00 O ATOM 1200 CB SER A 83 -10.200 0.316 -9.520 1.00 0.00 C ATOM 1201 OG SER A 83 -9.292 -0.276 -8.595 1.00 0.00 O ATOM 0 H SER A 83 -8.507 2.737 -8.831 1.00 0.00 H new ATOM 0 HA SER A 83 -9.385 1.336 -11.209 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.127 0.570 -9.006 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.453 -0.409 -10.294 1.00 0.00 H new ATOM 0 HG SER A 83 -9.441 -1.244 -8.564 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.594 2.657 -11.103 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.630 3.672 -11.190 1.00 0.00 C ATOM 1208 C PRO A 84 -13.681 3.479 -10.095 1.00 0.00 C ATOM 1209 O PRO A 84 -14.632 4.253 -9.999 1.00 0.00 O ATOM 1210 CB PRO A 84 -13.200 3.534 -12.592 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.788 2.152 -13.075 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.711 1.633 -12.136 1.00 0.00 C ATOM 0 HA PRO A 84 -12.246 4.679 -11.028 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.285 3.638 -12.585 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.810 4.310 -13.250 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.645 1.479 -13.082 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.412 2.201 -14.097 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.989 0.670 -11.709 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.766 1.489 -12.659 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.473 2.441 -9.297 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.392 2.137 -8.213 1.00 0.00 C ATOM 1219 C ALA A 85 -13.593 1.826 -6.946 1.00 0.00 C ATOM 1220 O ALA A 85 -14.042 1.058 -6.096 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.303 0.979 -8.626 1.00 0.00 C ATOM 0 H ALA A 85 -12.683 1.801 -9.379 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.030 2.994 -7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -15.992 0.751 -7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.869 1.260 -9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.697 0.100 -8.846 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.421 2.438 -6.858 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.555 2.238 -5.709 1.00 0.00 C ATOM 1229 C VAL A 86 -10.871 3.559 -5.353 1.00 0.00 C ATOM 1230 O VAL A 86 -10.699 3.876 -4.177 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.562 1.108 -5.994 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.352 1.194 -5.061 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.241 -0.259 -5.887 1.00 0.00 C ATOM 0 H VAL A 86 -12.051 3.073 -7.565 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.138 1.931 -4.841 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.205 1.225 -7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.662 0.380 -5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.847 2.149 -5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.684 1.115 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.513 -1.044 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.639 -0.390 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.055 -0.319 -6.610 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.500 4.294 -6.391 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.839 5.574 -6.203 1.00 0.00 C ATOM 1245 C LYS A 87 -10.862 6.607 -5.724 1.00 0.00 C ATOM 1246 O LYS A 87 -10.494 7.704 -5.308 1.00 0.00 O ATOM 1247 CB LYS A 87 -9.099 5.988 -7.476 1.00 0.00 C ATOM 1248 CG LYS A 87 -9.922 6.992 -8.287 1.00 0.00 C ATOM 1249 CD LYS A 87 -9.593 6.891 -9.779 1.00 0.00 C ATOM 1250 CE LYS A 87 -8.360 7.726 -10.126 1.00 0.00 C ATOM 1251 NZ LYS A 87 -8.631 8.590 -11.296 1.00 0.00 N ATOM 0 H LYS A 87 -10.645 4.027 -7.365 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.076 5.497 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.137 6.428 -7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.892 5.107 -8.084 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.985 6.806 -8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.720 8.003 -7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.418 5.849 -10.047 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.445 7.232 -10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.077 8.340 -9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.517 7.069 -10.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.783 9.150 -11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.879 7.998 -12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.422 9.230 -11.079 1.00 0.00 H new ATOM 1260 N ARG A 88 -12.126 6.217 -5.798 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.205 7.095 -5.377 1.00 0.00 C ATOM 1262 C ARG A 88 -13.205 7.243 -3.854 1.00 0.00 C ATOM 1263 O ARG A 88 -13.836 8.151 -3.315 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.563 6.555 -5.829 1.00 0.00 C ATOM 1265 CG ARG A 88 -14.556 5.025 -5.877 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.048 4.437 -4.561 1.00 0.00 C ATOM 1267 NE ARG A 88 -14.703 3.135 -4.301 1.00 0.00 N ATOM 1268 CZ ARG A 88 -15.982 3.000 -3.891 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.755 4.088 -3.689 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -16.465 1.788 -3.689 1.00 0.00 N ATOM 0 H ARG A 88 -12.427 5.306 -6.143 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.041 8.068 -5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.340 6.897 -5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.807 6.952 -6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.563 4.660 -6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.924 4.686 -6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.967 4.307 -4.605 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.253 5.126 -3.742 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.154 2.287 -4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.374 5.021 -3.846 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.720 3.977 -3.379 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.874 0.971 -3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.429 1.668 -3.379 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.489 6.339 -3.203 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.398 6.358 -1.753 1.00 0.00 C ATOM 1282 C LEU A 89 -11.482 7.504 -1.319 1.00 0.00 C ATOM 1283 O LEU A 89 -11.808 8.249 -0.396 1.00 0.00 O ATOM 1284 CB LEU A 89 -11.964 4.989 -1.225 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.042 4.171 -0.513 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.580 2.730 -0.291 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -13.467 4.844 0.795 1.00 0.00 C ATOM 0 H LEU A 89 -11.966 5.588 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.377 6.548 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.585 4.403 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.132 5.135 -0.536 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.921 4.132 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.365 2.170 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.367 2.264 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.678 2.727 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.234 4.242 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.604 4.934 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.865 5.836 0.581 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.354 7.609 -2.005 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.388 8.652 -1.702 1.00 0.00 C ATOM 1300 C PHE A 90 -9.741 9.953 -2.425 1.00 0.00 C ATOM 1301 O PHE A 90 -9.293 11.028 -2.030 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.027 8.160 -2.200 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.679 6.739 -1.752 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -7.230 6.515 -0.488 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -7.818 5.699 -2.619 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -6.906 5.195 -0.072 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -7.494 4.380 -2.203 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.046 4.156 -0.939 1.00 0.00 C ATOM 0 H PHE A 90 -10.087 6.989 -2.770 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.382 8.853 -0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.013 8.201 -3.289 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.254 8.842 -1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -7.120 7.340 0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.175 5.877 -3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -6.549 5.017 0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.604 3.555 -2.891 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.801 3.153 -0.623 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.540 9.812 -3.473 1.00 0.00 N ATOM 1318 CA ASP A 91 -10.959 10.963 -4.255 1.00 0.00 C ATOM 1319 C ASP A 91 -11.927 11.812 -3.428 1.00 0.00 C ATOM 1320 O ASP A 91 -11.931 13.038 -3.536 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.682 10.529 -5.531 1.00 0.00 C ATOM 1322 CG ASP A 91 -11.054 11.030 -6.833 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -10.162 10.383 -7.400 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.525 12.149 -7.270 1.00 0.00 O ATOM 0 H ASP A 91 -10.908 8.918 -3.799 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.068 11.531 -4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.717 9.440 -5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.713 10.880 -5.484 1.00 0.00 H new ATOM 1329 N MET A 92 -12.724 11.126 -2.622 1.00 0.00 N ATOM 1330 CA MET A 92 -13.694 11.802 -1.777 1.00 0.00 C ATOM 1331 C MET A 92 -13.086 12.156 -0.418 1.00 0.00 C ATOM 1332 O MET A 92 -13.504 13.122 0.220 1.00 0.00 O ATOM 1333 CB MET A 92 -14.911 10.896 -1.572 1.00 0.00 C ATOM 1334 CG MET A 92 -16.022 11.238 -2.565 1.00 0.00 C ATOM 1335 SD MET A 92 -17.126 9.847 -2.748 1.00 0.00 S ATOM 1336 CE MET A 92 -18.594 10.515 -1.983 1.00 0.00 C ATOM 0 H MET A 92 -12.718 10.110 -2.536 1.00 0.00 H new ATOM 0 HA MET A 92 -13.996 12.726 -2.270 1.00 0.00 H new ATOM 0 HB2 MET A 92 -14.617 9.853 -1.694 1.00 0.00 H new ATOM 0 HB3 MET A 92 -15.283 11.005 -0.553 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.576 12.110 -2.217 1.00 0.00 H new ATOM 0 HG3 MET A 92 -15.590 11.500 -3.531 1.00 0.00 H new ATOM 0 HE1 MET A 92 -19.390 9.771 -2.011 1.00 0.00 H new ATOM 0 HE2 MET A 92 -18.378 10.776 -0.947 1.00 0.00 H new ATOM 0 HE3 MET A 92 -18.912 11.407 -2.523 1.00 0.00 H new ATOM 1344 N SER A 93 -12.109 11.356 -0.016 1.00 0.00 N ATOM 1345 CA SER A 93 -11.439 11.574 1.255 1.00 0.00 C ATOM 1346 C SER A 93 -10.646 12.881 1.211 1.00 0.00 C ATOM 1347 O SER A 93 -10.419 13.508 2.245 1.00 0.00 O ATOM 1348 CB SER A 93 -10.517 10.403 1.597 1.00 0.00 C ATOM 1349 OG SER A 93 -10.243 10.329 2.994 1.00 0.00 O ATOM 0 H SER A 93 -11.765 10.556 -0.548 1.00 0.00 H new ATOM 0 HA SER A 93 -12.197 11.644 2.035 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.977 9.471 1.268 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.581 10.507 1.049 1.00 0.00 H new ATOM 0 HG SER A 93 -9.652 9.567 3.172 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.245 13.252 0.004 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.481 14.474 -0.187 1.00 0.00 C ATOM 1356 C GLY A 94 -8.122 14.385 0.509 1.00 0.00 C ATOM 1357 O GLY A 94 -7.457 15.400 0.712 1.00 0.00 O ATOM 0 H GLY A 94 -10.434 12.729 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.337 14.654 -1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.041 15.322 0.207 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.750 13.163 0.858 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.482 12.929 1.528 1.00 0.00 C ATOM 1363 C LEU A 95 -5.636 11.970 0.689 1.00 0.00 C ATOM 1364 O LEU A 95 -4.617 11.464 1.156 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.714 12.449 2.962 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.705 12.936 4.005 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.239 11.784 4.896 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -4.531 13.656 3.337 1.00 0.00 C ATOM 0 H LEU A 95 -8.304 12.324 0.689 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.920 13.859 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.709 12.766 3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.711 11.359 2.964 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.202 13.661 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.523 12.157 5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.097 11.354 5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.765 11.018 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.829 13.992 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.026 12.973 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.901 14.517 2.780 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.089 11.748 -0.536 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.387 10.859 -1.446 1.00 0.00 C ATOM 1381 C PHE A 96 -3.880 11.123 -1.415 1.00 0.00 C ATOM 1382 O PHE A 96 -3.083 10.223 -1.678 1.00 0.00 O ATOM 1383 CB PHE A 96 -5.915 11.150 -2.852 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.211 9.896 -3.677 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.568 8.730 -3.398 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.118 9.946 -4.688 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -5.843 7.566 -4.163 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.394 8.782 -5.454 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.751 7.616 -5.174 1.00 0.00 C ATOM 0 H PHE A 96 -6.935 12.169 -0.920 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.554 9.822 -1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.826 11.743 -2.771 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.184 11.759 -3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.848 8.690 -2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.629 10.871 -4.909 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.331 6.641 -3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.114 8.822 -6.258 1.00 0.00 H new ATOM 0 HZ PHE A 96 -6.962 6.730 -5.755 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.534 12.359 -1.090 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.137 12.752 -1.021 1.00 0.00 C ATOM 1400 C LYS A 97 -1.439 11.947 0.078 1.00 0.00 C ATOM 1401 O LYS A 97 -0.221 11.778 0.049 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.014 14.268 -0.845 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.130 14.999 -1.594 1.00 0.00 C ATOM 1404 CD LYS A 97 -2.668 16.382 -2.054 1.00 0.00 C ATOM 1405 CE LYS A 97 -3.862 17.303 -2.310 1.00 0.00 C ATOM 1406 NZ LYS A 97 -3.403 18.624 -2.795 1.00 0.00 N ATOM 0 H LYS A 97 -4.197 13.102 -0.871 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.630 12.521 -1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.057 14.519 0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.044 14.603 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.440 14.410 -2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.002 15.100 -0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.020 16.823 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.076 16.287 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.527 16.850 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.437 17.426 -1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.226 19.237 -2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.787 19.061 -2.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.873 18.503 -3.682 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.240 11.472 1.019 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.715 10.689 2.124 1.00 0.00 C ATOM 1417 C ILE A 98 -1.609 9.224 1.700 1.00 0.00 C ATOM 1418 O ILE A 98 -1.085 8.395 2.443 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.558 10.906 3.382 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -1.676 11.278 4.577 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.432 9.684 3.675 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.300 10.038 5.389 1.00 0.00 C ATOM 0 H ILE A 98 -3.250 11.614 1.039 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.709 11.020 2.381 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.228 11.746 3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.772 11.774 4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.202 11.988 5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.021 9.865 4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.101 9.505 2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.797 8.811 3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.674 10.331 6.232 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.205 9.558 5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.753 9.340 4.755 1.00 0.00 H new ATOM 1433 N ILE A 99 -2.114 8.948 0.507 1.00 0.00 N ATOM 1434 CA ILE A 99 -2.083 7.596 -0.025 1.00 0.00 C ATOM 1435 C ILE A 99 -1.181 7.560 -1.260 1.00 0.00 C ATOM 1436 O ILE A 99 -0.774 6.487 -1.705 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.503 7.090 -0.286 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -4.280 6.940 1.024 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.482 5.789 -1.092 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -3.617 5.909 1.941 1.00 0.00 C ATOM 0 H ILE A 99 -2.547 9.638 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.654 6.909 0.705 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.026 7.833 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.333 7.903 1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.305 6.636 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.504 5.451 -1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.991 5.962 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.936 5.026 -0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.189 5.822 2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.588 4.942 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.601 6.228 2.173 1.00 0.00 H new ATOM 1451 N ARG A 100 -0.895 8.745 -1.780 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.049 8.862 -2.956 1.00 0.00 C ATOM 1453 C ARG A 100 -0.209 7.630 -3.850 1.00 0.00 C ATOM 1454 O ARG A 100 0.609 6.713 -3.802 1.00 0.00 O ATOM 1455 CB ARG A 100 1.422 9.010 -2.562 1.00 0.00 C ATOM 1456 CG ARG A 100 2.128 10.031 -3.457 1.00 0.00 C ATOM 1457 CD ARG A 100 2.242 9.515 -4.893 1.00 0.00 C ATOM 1458 NE ARG A 100 3.469 10.049 -5.527 1.00 0.00 N ATOM 1459 CZ ARG A 100 3.571 11.290 -6.051 1.00 0.00 C ATOM 1460 NH1 ARG A 100 2.519 12.135 -6.020 1.00 0.00 N ATOM 1461 NH2 ARG A 100 4.715 11.662 -6.593 1.00 0.00 N ATOM 0 H ARG A 100 -1.234 9.632 -1.409 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.360 9.753 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.494 9.323 -1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.922 8.045 -2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.577 10.971 -3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.122 10.240 -3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.266 8.425 -4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.366 9.816 -5.467 1.00 0.00 H new ATOM 0 HE ARG A 100 4.288 9.442 -5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.639 11.838 -5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.604 13.070 -6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.504 11.016 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.810 12.595 -6.993 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.269 7.650 -4.645 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.547 6.547 -5.549 1.00 0.00 C ATOM 1473 C PHE A 101 -1.222 6.928 -6.995 1.00 0.00 C ATOM 1474 O PHE A 101 -0.956 8.092 -7.289 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.042 6.242 -5.437 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.382 4.754 -5.523 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.452 4.140 -6.735 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.614 4.042 -4.386 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.768 2.759 -6.814 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -3.930 2.661 -4.466 1.00 0.00 C ATOM 1481 CZ PHE A 101 -4.000 2.047 -5.678 1.00 0.00 C ATOM 0 H PHE A 101 -1.945 8.413 -4.682 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.936 5.685 -5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.412 6.634 -4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.571 6.771 -6.230 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.267 4.704 -7.637 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.558 4.528 -3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.824 2.273 -7.777 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.115 2.097 -3.564 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.239 0.996 -5.738 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.257 5.924 -7.859 1.00 0.00 N ATOM 1491 CA GLU A 102 -0.970 6.139 -9.267 1.00 0.00 C ATOM 1492 C GLU A 102 -1.958 5.357 -10.136 1.00 0.00 C ATOM 1493 O GLU A 102 -3.116 5.183 -9.761 1.00 0.00 O ATOM 1494 CB GLU A 102 0.474 5.755 -9.598 1.00 0.00 C ATOM 1495 CG GLU A 102 1.156 6.846 -10.425 1.00 0.00 C ATOM 1496 CD GLU A 102 1.237 6.446 -11.900 1.00 0.00 C ATOM 1497 OE1 GLU A 102 0.298 6.707 -12.666 1.00 0.00 O ATOM 1498 OE2 GLU A 102 2.325 5.844 -12.242 1.00 0.00 O ATOM 0 H GLU A 102 -1.480 4.960 -7.611 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.087 7.201 -9.483 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.031 5.591 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.487 4.815 -10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.603 7.780 -10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.159 7.027 -10.038 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.464 4.908 -11.280 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.288 4.149 -12.205 1.00 0.00 C ATOM 1506 C GLN A 103 -1.426 3.168 -13.001 1.00 0.00 C ATOM 1507 O GLN A 103 -0.910 3.511 -14.064 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.065 5.080 -13.138 1.00 0.00 C ATOM 1509 CG GLN A 103 -3.466 6.369 -12.417 1.00 0.00 C ATOM 1510 CD GLN A 103 -4.061 7.382 -13.397 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -4.281 7.101 -14.563 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -4.308 8.573 -12.859 1.00 0.00 N ATOM 0 H GLN A 103 -0.503 5.055 -11.588 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.015 3.577 -11.629 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.455 5.321 -14.008 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.957 4.572 -13.505 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.192 6.143 -11.636 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.594 6.801 -11.926 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -4.100 8.741 -11.875 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -4.706 9.318 -13.431 1.00 0.00 H new ATOM 1519 N SER A 104 -1.299 1.966 -12.458 1.00 0.00 N ATOM 1520 CA SER A 104 -0.509 0.933 -13.106 1.00 0.00 C ATOM 1521 C SER A 104 0.843 1.503 -13.542 1.00 0.00 C ATOM 1522 O SER A 104 1.885 1.101 -13.028 1.00 0.00 O ATOM 1523 CB SER A 104 -1.250 0.345 -14.308 1.00 0.00 C ATOM 1524 OG SER A 104 -0.449 -0.591 -15.023 1.00 0.00 O ATOM 0 H SER A 104 -1.730 1.685 -11.577 1.00 0.00 H new ATOM 0 HA SER A 104 -0.343 0.130 -12.388 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.162 -0.144 -13.967 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.551 1.151 -14.978 1.00 0.00 H new ATOM 0 HG SER A 104 -0.958 -0.945 -15.782 1.00 0.00 H new ATOM 1529 N GLU A 105 0.780 2.430 -14.487 1.00 0.00 N ATOM 1530 CA GLU A 105 1.986 3.059 -14.998 1.00 0.00 C ATOM 1531 C GLU A 105 3.033 3.178 -13.889 1.00 0.00 C ATOM 1532 O GLU A 105 4.232 3.111 -14.153 1.00 0.00 O ATOM 1533 CB GLU A 105 1.674 4.428 -15.606 1.00 0.00 C ATOM 1534 CG GLU A 105 2.961 5.169 -15.978 1.00 0.00 C ATOM 1535 CD GLU A 105 2.795 5.923 -17.299 1.00 0.00 C ATOM 1536 OE1 GLU A 105 2.409 7.101 -17.296 1.00 0.00 O ATOM 1537 OE2 GLU A 105 3.087 5.243 -18.356 1.00 0.00 O ATOM 0 H GLU A 105 -0.087 2.760 -14.912 1.00 0.00 H new ATOM 0 HA GLU A 105 2.393 2.430 -15.790 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.053 4.303 -16.493 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.100 5.023 -14.896 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.224 5.870 -15.185 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.783 4.458 -16.061 1.00 0.00 H new ATOM 1543 N GLN A 106 2.542 3.354 -12.671 1.00 0.00 N ATOM 1544 CA GLN A 106 3.421 3.482 -11.521 1.00 0.00 C ATOM 1545 C GLN A 106 4.250 2.210 -11.340 1.00 0.00 C ATOM 1546 O GLN A 106 5.190 2.183 -10.548 1.00 0.00 O ATOM 1547 CB GLN A 106 2.624 3.804 -10.255 1.00 0.00 C ATOM 1548 CG GLN A 106 3.372 3.339 -9.003 1.00 0.00 C ATOM 1549 CD GLN A 106 2.845 4.048 -7.755 1.00 0.00 C ATOM 1550 OE1 GLN A 106 3.011 5.242 -7.570 1.00 0.00 O ATOM 1551 NE2 GLN A 106 2.201 3.247 -6.910 1.00 0.00 N ATOM 0 H GLN A 106 1.547 3.411 -12.455 1.00 0.00 H new ATOM 0 HA GLN A 106 4.104 4.312 -11.702 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.444 4.877 -10.198 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.649 3.319 -10.302 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.260 2.261 -8.888 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.438 3.539 -9.116 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.097 2.256 -7.126 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.811 3.624 -6.046 1.00 0.00 H new ATOM 1558 N GLN A 107 3.870 1.184 -12.088 1.00 0.00 N ATOM 1559 CA GLN A 107 4.565 -0.090 -12.019 1.00 0.00 C ATOM 1560 C GLN A 107 6.057 0.133 -11.763 1.00 0.00 C ATOM 1561 O GLN A 107 6.712 -0.693 -11.130 1.00 0.00 O ATOM 1562 CB GLN A 107 4.344 -0.905 -13.296 1.00 0.00 C ATOM 1563 CG GLN A 107 5.420 -0.593 -14.338 1.00 0.00 C ATOM 1564 CD GLN A 107 5.050 -1.182 -15.702 1.00 0.00 C ATOM 1565 OE1 GLN A 107 4.421 -2.222 -15.806 1.00 0.00 O ATOM 1566 NE2 GLN A 107 5.475 -0.462 -16.735 1.00 0.00 N ATOM 0 H GLN A 107 3.090 1.209 -12.745 1.00 0.00 H new ATOM 0 HA GLN A 107 4.154 -0.661 -11.187 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.359 -1.969 -13.060 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.359 -0.684 -13.707 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.544 0.486 -14.426 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.377 -0.999 -14.010 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.997 0.400 -16.576 1.00 0.00 H new ATOM 0 HE22 GLN A 107 5.279 -0.771 -17.687 1.00 0.00 H new ATOM 1573 N ALA A 108 6.551 1.254 -12.268 1.00 0.00 N ATOM 1574 CA ALA A 108 7.953 1.596 -12.102 1.00 0.00 C ATOM 1575 C ALA A 108 8.133 2.366 -10.792 1.00 0.00 C ATOM 1576 O ALA A 108 8.976 2.010 -9.969 1.00 0.00 O ATOM 1577 CB ALA A 108 8.433 2.392 -13.317 1.00 0.00 C ATOM 0 H ALA A 108 6.005 1.937 -12.793 1.00 0.00 H new ATOM 0 HA ALA A 108 8.563 0.695 -12.042 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.485 2.648 -13.192 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.311 1.790 -14.218 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.846 3.306 -13.409 1.00 0.00 H new ATOM 1583 N LEU A 109 7.328 3.407 -10.639 1.00 0.00 N ATOM 1584 CA LEU A 109 7.389 4.231 -9.443 1.00 0.00 C ATOM 1585 C LEU A 109 7.040 3.376 -8.222 1.00 0.00 C ATOM 1586 O LEU A 109 7.384 3.729 -7.096 1.00 0.00 O ATOM 1587 CB LEU A 109 6.503 5.468 -9.600 1.00 0.00 C ATOM 1588 CG LEU A 109 7.229 6.815 -9.617 1.00 0.00 C ATOM 1589 CD1 LEU A 109 6.362 7.898 -10.261 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.687 7.208 -8.210 1.00 0.00 C ATOM 0 H LEU A 109 6.630 3.699 -11.323 1.00 0.00 H new ATOM 0 HA LEU A 109 8.400 4.608 -9.291 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.938 5.371 -10.527 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.779 5.478 -8.785 1.00 0.00 H new ATOM 0 HG LEU A 109 8.124 6.713 -10.231 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.902 8.845 -10.260 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.128 7.615 -11.287 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.437 8.008 -9.695 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.200 8.169 -8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.820 7.286 -7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.367 6.449 -7.824 1.00 0.00 H new ATOM 1601 N LEU A 110 6.365 2.269 -8.490 1.00 0.00 N ATOM 1602 CA LEU A 110 5.967 1.361 -7.427 1.00 0.00 C ATOM 1603 C LEU A 110 7.172 1.072 -6.531 1.00 0.00 C ATOM 1604 O LEU A 110 7.055 1.077 -5.306 1.00 0.00 O ATOM 1605 CB LEU A 110 5.318 0.103 -8.011 1.00 0.00 C ATOM 1606 CG LEU A 110 4.094 -0.428 -7.264 1.00 0.00 C ATOM 1607 CD1 LEU A 110 3.898 -1.923 -7.527 1.00 0.00 C ATOM 1608 CD2 LEU A 110 4.184 -0.115 -5.769 1.00 0.00 C ATOM 0 H LEU A 110 6.083 1.980 -9.427 1.00 0.00 H new ATOM 0 HA LEU A 110 5.205 1.822 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.028 0.312 -9.041 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.069 -0.687 -8.046 1.00 0.00 H new ATOM 0 HG LEU A 110 3.211 0.085 -7.646 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.021 -2.276 -6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.755 -2.089 -8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.778 -2.470 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.301 -0.504 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.076 -0.582 -5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.239 0.964 -5.626 1.00 0.00 H new ATOM 1619 N THR A 111 8.303 0.827 -7.175 1.00 0.00 N ATOM 1620 CA THR A 111 9.529 0.535 -6.452 1.00 0.00 C ATOM 1621 C THR A 111 9.834 1.650 -5.449 1.00 0.00 C ATOM 1622 O THR A 111 10.771 1.541 -4.660 1.00 0.00 O ATOM 1623 CB THR A 111 10.643 0.320 -7.478 1.00 0.00 C ATOM 1624 OG1 THR A 111 11.024 -1.041 -7.296 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.910 1.109 -7.141 1.00 0.00 C ATOM 0 H THR A 111 8.396 0.825 -8.191 1.00 0.00 H new ATOM 0 HA THR A 111 9.432 -0.375 -5.860 1.00 0.00 H new ATOM 0 HB THR A 111 10.287 0.610 -8.466 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.742 -1.266 -7.924 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.669 0.921 -7.901 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.679 2.174 -7.115 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.286 0.795 -6.167 1.00 0.00 H new ATOM 1633 N LEU A 112 9.024 2.697 -5.512 1.00 0.00 N ATOM 1634 CA LEU A 112 9.195 3.831 -4.620 1.00 0.00 C ATOM 1635 C LEU A 112 10.005 4.916 -5.332 1.00 0.00 C ATOM 1636 O LEU A 112 10.701 5.699 -4.686 1.00 0.00 O ATOM 1637 CB LEU A 112 9.805 3.380 -3.292 1.00 0.00 C ATOM 1638 CG LEU A 112 9.916 4.451 -2.205 1.00 0.00 C ATOM 1639 CD1 LEU A 112 9.332 3.952 -0.882 1.00 0.00 C ATOM 1640 CD2 LEU A 112 11.361 4.928 -2.051 1.00 0.00 C ATOM 0 H LEU A 112 8.247 2.784 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 112 8.228 4.268 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.208 2.556 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.802 2.986 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 112 9.324 5.313 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.424 4.732 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.280 3.702 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.876 3.065 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.412 5.689 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.995 4.085 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.707 5.351 -2.994 1.00 0.00 H new ATOM 1651 N GLY A 113 9.887 4.929 -6.650 1.00 0.00 N ATOM 1652 CA GLY A 113 10.598 5.907 -7.456 1.00 0.00 C ATOM 1653 C GLY A 113 12.021 6.117 -6.932 1.00 0.00 C ATOM 1654 O GLY A 113 12.601 7.187 -7.114 1.00 0.00 O ATOM 0 H GLY A 113 9.309 4.278 -7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.634 5.573 -8.493 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.059 6.854 -7.445 1.00 0.00 H new ATOM 1658 N VAL A 114 12.541 5.081 -6.292 1.00 0.00 N ATOM 1659 CA VAL A 114 13.884 5.139 -5.740 1.00 0.00 C ATOM 1660 C VAL A 114 14.613 3.829 -6.045 1.00 0.00 C ATOM 1661 O VAL A 114 14.857 3.026 -5.145 1.00 0.00 O ATOM 1662 CB VAL A 114 13.822 5.455 -4.244 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.112 5.029 -3.541 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.532 6.939 -4.009 1.00 0.00 C ATOM 0 H VAL A 114 12.057 4.196 -6.143 1.00 0.00 H new ATOM 0 HA VAL A 114 14.454 5.944 -6.205 1.00 0.00 H new ATOM 0 HB VAL A 114 13.001 4.882 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.042 5.264 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.257 3.956 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 114 15.957 5.563 -3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.493 7.137 -2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.321 7.540 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.575 7.199 -4.461 1.00 0.00 H new ATOM 1674 N ALA A 115 14.940 3.653 -7.317 1.00 0.00 N ATOM 1675 CA ALA A 115 15.637 2.454 -7.751 1.00 0.00 C ATOM 1676 C ALA A 115 15.424 2.262 -9.254 1.00 0.00 C ATOM 1677 O ALA A 115 14.394 1.740 -9.678 1.00 0.00 O ATOM 1678 CB ALA A 115 15.147 1.255 -6.936 1.00 0.00 C ATOM 0 H ALA A 115 14.735 4.320 -8.061 1.00 0.00 H new ATOM 0 HA ALA A 115 16.709 2.550 -7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.670 0.356 -7.262 1.00 0.00 H new ATOM 0 HB2 ALA A 115 15.346 1.428 -5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 115 14.075 1.126 -7.087 1.00 0.00 H new