USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 740 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 88 SER OG : rot 83:sc= 1.22 USER MOD Set 1.2: A 89 GLN : amide:sc= 0.988 K(o=2.2,f=-4.8!) USER MOD Set 2.1: A 41 LYS NZ :NH3+ 134:sc= 0.883 (180deg=-1.7!) USER MOD Set 2.2: A 78 TYR OH : rot -159:sc= 0.786 USER MOD Set 3.1: A 31 HIS : no HD1:sc= -4.82! C(o=-9.4!,f=-11!) USER MOD Set 3.2: A 84 HIS : no HD1:sc= -4.54! C(o=-9.4!,f=-18!) USER MOD Single : A 6 MET CE :methyl -151:sc= 0 (180deg=-0.0919) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 121:sc= 0.356 USER MOD Single : A 13 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2.8!) USER MOD Single : A 17 ASN : amide:sc= -0.882 K(o=-0.88,f=-3!) USER MOD Single : A 19 LYS NZ :NH3+ -129:sc= 0.361 (180deg=-0.133) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00555 USER MOD Single : A 21 ASN : amide:sc= -3.15! X(o=-3.2!,f=-3) USER MOD Single : A 24 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.07) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -123:sc= 0.341 USER MOD Single : A 33 SER OG : rot 82:sc= 1.24 USER MOD Single : A 42 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.87) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.17 K(o=0.17,f=-0.71) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0531 USER MOD Single : A 57 SER OG : rot -164:sc= 1.64 USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 1.05 (180deg=0.827) USER MOD Single : A 61 SER OG : rot -154:sc= 0.233 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 16:sc= 0.6 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0189 K(o=-0.019,f=-1.2) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 154:sc= -0.316 (180deg=-1.08) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 162:sc= -2.2 (180deg=-2.46!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 6.864 -7.207 7.520 1.00 0.00 N ATOM 2 CA MET A 6 5.419 -7.121 7.679 1.00 0.00 C ATOM 3 C MET A 6 4.921 -5.751 7.235 1.00 0.00 C ATOM 4 O MET A 6 5.529 -4.728 7.549 1.00 0.00 O ATOM 5 CB MET A 6 5.015 -7.375 9.136 1.00 0.00 C ATOM 6 CG MET A 6 3.512 -7.337 9.367 1.00 0.00 C ATOM 7 SD MET A 6 2.622 -8.552 8.369 1.00 0.00 S ATOM 8 CE MET A 6 0.928 -8.196 8.835 1.00 0.00 C ATOM 0 HA MET A 6 4.962 -7.888 7.054 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.397 -8.348 9.446 1.00 0.00 H new ATOM 0 HB3 MET A 6 5.491 -6.628 9.772 1.00 0.00 H new ATOM 0 HG2 MET A 6 3.306 -7.518 10.422 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.138 -6.339 9.136 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.329 -9.103 8.751 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.901 -7.837 9.864 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.522 -7.431 8.173 1.00 0.00 H new ATOM 17 N ILE A 7 3.825 -5.738 6.494 1.00 0.00 N ATOM 18 CA ILE A 7 3.220 -4.494 6.042 1.00 0.00 C ATOM 19 C ILE A 7 1.994 -4.210 6.895 1.00 0.00 C ATOM 20 O ILE A 7 1.298 -5.137 7.307 1.00 0.00 O ATOM 21 CB ILE A 7 2.771 -4.578 4.551 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.703 -5.479 3.735 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.701 -3.195 3.904 1.00 0.00 C ATOM 24 CD1 ILE A 7 3.103 -5.931 2.415 1.00 0.00 C ATOM 0 H ILE A 7 3.334 -6.579 6.191 1.00 0.00 H new ATOM 0 HA ILE A 7 3.964 -3.703 6.135 1.00 0.00 H new ATOM 0 HB ILE A 7 1.772 -5.013 4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.633 -4.945 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.959 -6.357 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.385 -3.295 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.984 -2.577 4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.684 -2.726 3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.817 -6.565 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.189 -6.493 2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.873 -5.059 1.803 1.00 0.00 H new ATOM 36 N GLN A 8 1.741 -2.944 7.178 1.00 0.00 N ATOM 37 CA GLN A 8 0.560 -2.566 7.939 1.00 0.00 C ATOM 38 C GLN A 8 -0.165 -1.415 7.252 1.00 0.00 C ATOM 39 O GLN A 8 0.353 -0.302 7.172 1.00 0.00 O ATOM 40 CB GLN A 8 0.949 -2.178 9.368 1.00 0.00 C ATOM 41 CG GLN A 8 1.569 -3.327 10.164 1.00 0.00 C ATOM 42 CD GLN A 8 1.859 -2.944 11.599 1.00 0.00 C ATOM 43 OE1 GLN A 8 1.019 -3.121 12.479 1.00 0.00 O ATOM 44 NE2 GLN A 8 3.048 -2.420 11.850 1.00 0.00 N ATOM 0 H GLN A 8 2.333 -2.163 6.895 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.114 -3.421 7.985 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.656 -1.349 9.331 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.063 -1.819 9.893 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.893 -4.182 10.148 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.494 -3.643 9.681 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.718 -2.289 11.092 1.00 0.00 H new ATOM 0 HE22 GLN A 8 3.294 -2.147 12.801 1.00 0.00 H new ATOM 53 N VAL A 9 -1.348 -1.699 6.721 1.00 0.00 N ATOM 54 CA VAL A 9 -2.133 -0.679 6.039 1.00 0.00 C ATOM 55 C VAL A 9 -3.159 -0.020 6.948 1.00 0.00 C ATOM 56 O VAL A 9 -3.685 -0.636 7.877 1.00 0.00 O ATOM 57 CB VAL A 9 -2.837 -1.229 4.779 1.00 0.00 C ATOM 58 CG1 VAL A 9 -1.848 -1.328 3.650 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.442 -2.592 5.025 1.00 0.00 C ATOM 0 H VAL A 9 -1.782 -2.621 6.749 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.412 0.080 5.734 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.641 -0.539 4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.347 -1.716 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.441 -0.340 3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.038 -2.000 3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.928 -2.944 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.657 -3.292 5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.178 -2.524 5.826 1.00 0.00 H new ATOM 69 N TYR A 10 -3.441 1.234 6.628 1.00 0.00 N ATOM 70 CA TYR A 10 -4.333 2.093 7.399 1.00 0.00 C ATOM 71 C TYR A 10 -4.991 3.068 6.433 1.00 0.00 C ATOM 72 O TYR A 10 -4.785 2.980 5.221 1.00 0.00 O ATOM 73 CB TYR A 10 -3.574 2.912 8.460 1.00 0.00 C ATOM 74 CG TYR A 10 -2.933 2.113 9.593 1.00 0.00 C ATOM 75 CD1 TYR A 10 -1.595 2.310 9.924 1.00 0.00 C ATOM 76 CD2 TYR A 10 -3.656 1.176 10.336 1.00 0.00 C ATOM 77 CE1 TYR A 10 -0.995 1.607 10.952 1.00 0.00 C ATOM 78 CE2 TYR A 10 -3.056 0.465 11.367 1.00 0.00 C ATOM 79 CZ TYR A 10 -1.727 0.687 11.666 1.00 0.00 C ATOM 80 OH TYR A 10 -1.126 -0.006 12.693 1.00 0.00 O ATOM 0 H TYR A 10 -3.048 1.695 5.807 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.059 1.462 7.912 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.793 3.483 7.958 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.266 3.633 8.897 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.013 3.028 9.365 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.697 1.002 10.105 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.043 1.779 11.193 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.626 -0.258 11.932 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.776 -0.617 13.100 1.00 0.00 H new ATOM 90 N SER A 11 -5.776 3.994 6.951 1.00 0.00 N ATOM 91 CA SER A 11 -6.331 5.046 6.116 1.00 0.00 C ATOM 92 C SER A 11 -6.188 6.414 6.765 1.00 0.00 C ATOM 93 O SER A 11 -5.928 6.532 7.965 1.00 0.00 O ATOM 94 CB SER A 11 -7.802 4.774 5.819 1.00 0.00 C ATOM 95 OG SER A 11 -7.962 3.558 5.111 1.00 0.00 O ATOM 0 H SER A 11 -6.042 4.041 7.934 1.00 0.00 H new ATOM 0 HA SER A 11 -5.766 5.049 5.184 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.363 4.732 6.753 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.216 5.596 5.235 1.00 0.00 H new ATOM 0 HG SER A 11 -8.530 2.950 5.629 1.00 0.00 H new ATOM 101 N ARG A 12 -6.337 7.441 5.937 1.00 0.00 N ATOM 102 CA ARG A 12 -6.292 8.834 6.382 1.00 0.00 C ATOM 103 C ARG A 12 -7.611 9.237 7.053 1.00 0.00 C ATOM 104 O ARG A 12 -7.641 10.135 7.891 1.00 0.00 O ATOM 105 CB ARG A 12 -6.038 9.763 5.182 1.00 0.00 C ATOM 106 CG ARG A 12 -4.997 10.860 5.409 1.00 0.00 C ATOM 107 CD ARG A 12 -5.203 11.620 6.711 1.00 0.00 C ATOM 108 NE ARG A 12 -4.569 10.942 7.845 1.00 0.00 N ATOM 109 CZ ARG A 12 -4.619 11.383 9.101 1.00 0.00 C ATOM 110 NH1 ARG A 12 -5.333 12.462 9.401 1.00 0.00 N ATOM 111 NH2 ARG A 12 -3.969 10.730 10.057 1.00 0.00 N ATOM 0 H ARG A 12 -6.493 7.334 4.935 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.481 8.930 7.104 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.721 9.155 4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.981 10.233 4.902 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.002 10.414 5.409 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.031 11.562 4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.793 12.625 6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.270 11.728 6.903 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.058 10.079 7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.845 12.955 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.370 12.798 10.363 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.433 9.893 9.829 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.006 11.066 11.019 1.00 0.00 H new ATOM 125 N HIS A 13 -8.696 8.570 6.675 1.00 0.00 N ATOM 126 CA HIS A 13 -10.035 8.967 7.110 1.00 0.00 C ATOM 127 C HIS A 13 -10.863 7.737 7.499 1.00 0.00 C ATOM 128 O HIS A 13 -10.500 6.613 7.146 1.00 0.00 O ATOM 129 CB HIS A 13 -10.740 9.735 5.984 1.00 0.00 C ATOM 130 CG HIS A 13 -10.016 10.967 5.527 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.210 10.953 4.412 1.00 0.00 N ATOM 132 CD2 HIS A 13 -10.018 12.216 6.053 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.744 12.183 4.286 1.00 0.00 C ATOM 134 NE2 HIS A 13 -9.206 12.982 5.255 1.00 0.00 N ATOM 0 H HIS A 13 -8.677 7.751 6.068 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.940 9.612 7.984 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.871 9.068 5.132 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.737 10.018 6.323 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.555 12.545 6.931 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.075 12.503 3.501 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.995 13.972 5.377 1.00 0.00 H new ATOM 142 N PRO A 14 -11.984 7.936 8.228 1.00 0.00 N ATOM 143 CA PRO A 14 -12.872 6.836 8.655 1.00 0.00 C ATOM 144 C PRO A 14 -13.597 6.184 7.471 1.00 0.00 C ATOM 145 O PRO A 14 -14.007 6.870 6.531 1.00 0.00 O ATOM 146 CB PRO A 14 -13.896 7.521 9.577 1.00 0.00 C ATOM 147 CG PRO A 14 -13.315 8.869 9.887 1.00 0.00 C ATOM 148 CD PRO A 14 -12.483 9.242 8.694 1.00 0.00 C ATOM 0 HA PRO A 14 -12.311 6.036 9.138 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.865 7.614 9.087 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.054 6.942 10.487 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.102 9.603 10.060 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.708 8.834 10.791 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.074 9.746 7.929 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.668 9.915 8.962 1.00 0.00 H new ATOM 156 N ALA A 15 -13.744 4.859 7.517 1.00 0.00 N ATOM 157 CA ALA A 15 -14.418 4.111 6.451 1.00 0.00 C ATOM 158 C ALA A 15 -15.911 4.458 6.352 1.00 0.00 C ATOM 159 O ALA A 15 -16.719 3.985 7.154 1.00 0.00 O ATOM 160 CB ALA A 15 -14.257 2.606 6.675 1.00 0.00 C ATOM 0 H ALA A 15 -13.404 4.278 8.284 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.945 4.398 5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.762 2.063 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.198 2.349 6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.696 2.332 7.634 1.00 0.00 H new ATOM 166 N GLU A 16 -16.279 5.284 5.374 1.00 0.00 N ATOM 167 CA GLU A 16 -17.678 5.603 5.117 1.00 0.00 C ATOM 168 C GLU A 16 -17.990 5.218 3.665 1.00 0.00 C ATOM 169 O GLU A 16 -17.516 5.879 2.737 1.00 0.00 O ATOM 170 CB GLU A 16 -17.933 7.111 5.354 1.00 0.00 C ATOM 171 CG GLU A 16 -19.364 7.493 5.714 1.00 0.00 C ATOM 172 CD GLU A 16 -20.379 7.037 4.690 1.00 0.00 C ATOM 173 OE1 GLU A 16 -21.023 5.994 4.908 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.538 7.725 3.660 1.00 0.00 O ATOM 0 H GLU A 16 -15.622 5.745 4.745 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.328 5.049 5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.274 7.450 6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.647 7.654 4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.616 7.061 6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.428 8.576 5.822 1.00 0.00 H new ATOM 181 N ASN A 17 -18.720 4.111 3.478 1.00 0.00 N ATOM 182 CA ASN A 17 -19.110 3.625 2.152 1.00 0.00 C ATOM 183 C ASN A 17 -19.599 4.760 1.236 1.00 0.00 C ATOM 184 O ASN A 17 -20.660 5.344 1.456 1.00 0.00 O ATOM 185 CB ASN A 17 -20.185 2.522 2.318 1.00 0.00 C ATOM 186 CG ASN A 17 -20.922 2.182 1.034 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.466 1.365 0.234 1.00 0.00 O ATOM 188 ND2 ASN A 17 -22.094 2.772 0.853 1.00 0.00 N ATOM 0 H ASN A 17 -19.056 3.528 4.244 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.232 3.204 1.661 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.709 1.620 2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.909 2.844 3.067 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.652 2.554 0.028 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.438 3.444 1.539 1.00 0.00 H new ATOM 195 N GLY A 18 -18.799 5.067 0.209 1.00 0.00 N ATOM 196 CA GLY A 18 -19.137 6.144 -0.720 1.00 0.00 C ATOM 197 C GLY A 18 -18.136 7.292 -0.720 1.00 0.00 C ATOM 198 O GLY A 18 -18.202 8.171 -1.579 1.00 0.00 O ATOM 0 H GLY A 18 -17.922 4.589 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.206 5.734 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.123 6.534 -0.467 1.00 0.00 H new ATOM 202 N LYS A 19 -17.221 7.313 0.243 1.00 0.00 N ATOM 203 CA LYS A 19 -16.220 8.382 0.302 1.00 0.00 C ATOM 204 C LYS A 19 -14.962 7.989 -0.450 1.00 0.00 C ATOM 205 O LYS A 19 -14.511 6.847 -0.362 1.00 0.00 O ATOM 206 CB LYS A 19 -15.798 8.704 1.741 1.00 0.00 C ATOM 207 CG LYS A 19 -16.917 8.976 2.743 1.00 0.00 C ATOM 208 CD LYS A 19 -17.638 10.308 2.543 1.00 0.00 C ATOM 209 CE LYS A 19 -18.528 10.327 1.312 1.00 0.00 C ATOM 210 NZ LYS A 19 -19.698 9.416 1.450 1.00 0.00 N ATOM 0 H LYS A 19 -17.148 6.616 0.984 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.692 9.255 -0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.203 7.871 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.145 9.576 1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.647 8.169 2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.500 8.951 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.243 10.522 3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.899 11.105 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.880 11.343 1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.944 10.036 0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.757 8.797 0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.586 8.835 2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.569 9.979 1.525 1.00 0.00 H new ATOM 224 N SER A 20 -14.403 8.932 -1.184 1.00 0.00 N ATOM 225 CA SER A 20 -13.087 8.750 -1.765 1.00 0.00 C ATOM 226 C SER A 20 -12.037 9.481 -0.943 1.00 0.00 C ATOM 227 O SER A 20 -12.250 10.620 -0.528 1.00 0.00 O ATOM 228 CB SER A 20 -13.057 9.190 -3.229 1.00 0.00 C ATOM 229 OG SER A 20 -13.915 10.299 -3.463 1.00 0.00 O ATOM 0 H SER A 20 -14.839 9.830 -1.392 1.00 0.00 H new ATOM 0 HA SER A 20 -12.852 7.686 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.037 9.454 -3.509 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.357 8.357 -3.865 1.00 0.00 H new ATOM 0 HG SER A 20 -13.869 10.554 -4.408 1.00 0.00 H new ATOM 235 N ASN A 21 -10.899 8.828 -0.762 1.00 0.00 N ATOM 236 CA ASN A 21 -9.829 9.294 0.122 1.00 0.00 C ATOM 237 C ASN A 21 -8.528 8.671 -0.365 1.00 0.00 C ATOM 238 O ASN A 21 -8.398 8.348 -1.545 1.00 0.00 O ATOM 239 CB ASN A 21 -10.053 8.883 1.587 1.00 0.00 C ATOM 240 CG ASN A 21 -11.259 9.510 2.264 1.00 0.00 C ATOM 241 OD1 ASN A 21 -11.649 10.636 1.982 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.830 8.778 3.205 1.00 0.00 N ATOM 0 H ASN A 21 -10.685 7.947 -1.229 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.805 10.383 0.090 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.157 7.799 1.630 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.162 9.141 2.159 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.625 9.147 3.726 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.475 7.844 3.410 1.00 0.00 H new ATOM 249 N PHE A 22 -7.584 8.448 0.538 1.00 0.00 N ATOM 250 CA PHE A 22 -6.279 7.921 0.158 1.00 0.00 C ATOM 251 C PHE A 22 -5.958 6.654 0.946 1.00 0.00 C ATOM 252 O PHE A 22 -6.069 6.645 2.175 1.00 0.00 O ATOM 253 CB PHE A 22 -5.199 8.980 0.414 1.00 0.00 C ATOM 254 CG PHE A 22 -5.264 10.156 -0.526 1.00 0.00 C ATOM 255 CD1 PHE A 22 -4.991 11.440 -0.076 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.596 9.977 -1.862 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.049 12.517 -0.938 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.655 11.053 -2.726 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.381 12.324 -2.264 1.00 0.00 C ATOM 0 H PHE A 22 -7.696 8.623 1.537 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.301 7.672 -0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.293 9.340 1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.218 8.513 0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.730 11.599 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.811 8.985 -2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.834 13.511 -0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.916 10.900 -3.763 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.426 13.166 -2.939 1.00 0.00 H new ATOM 269 N LEU A 23 -5.565 5.586 0.248 1.00 0.00 N ATOM 270 CA LEU A 23 -5.177 4.345 0.927 1.00 0.00 C ATOM 271 C LEU A 23 -3.696 4.412 1.282 1.00 0.00 C ATOM 272 O LEU A 23 -2.849 4.653 0.421 1.00 0.00 O ATOM 273 CB LEU A 23 -5.489 3.093 0.073 1.00 0.00 C ATOM 274 CG LEU A 23 -4.942 1.744 0.603 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.419 1.473 2.026 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.369 0.600 -0.308 1.00 0.00 C ATOM 0 H LEU A 23 -5.507 5.553 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.766 4.251 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.571 3.008 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.089 3.254 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.854 1.810 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.018 0.519 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.072 2.270 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.508 1.436 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.976 -0.340 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.457 0.551 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.980 0.770 -1.312 1.00 0.00 H new ATOM 288 N ASN A 24 -3.402 4.237 2.560 1.00 0.00 N ATOM 289 CA ASN A 24 -2.047 4.411 3.073 1.00 0.00 C ATOM 290 C ASN A 24 -1.417 3.072 3.458 1.00 0.00 C ATOM 291 O ASN A 24 -1.884 2.386 4.370 1.00 0.00 O ATOM 292 CB ASN A 24 -2.056 5.377 4.272 1.00 0.00 C ATOM 293 CG ASN A 24 -2.266 6.828 3.870 1.00 0.00 C ATOM 294 OD1 ASN A 24 -2.817 7.618 4.639 1.00 0.00 O ATOM 295 ND2 ASN A 24 -1.834 7.192 2.671 1.00 0.00 N ATOM 0 H ASN A 24 -4.087 3.973 3.268 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.436 4.841 2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.845 5.080 4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.112 5.288 4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.953 8.155 2.357 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.383 6.509 2.063 1.00 0.00 H new ATOM 302 N CYS A 25 -0.348 2.716 2.753 1.00 0.00 N ATOM 303 CA CYS A 25 0.361 1.451 2.942 1.00 0.00 C ATOM 304 C CYS A 25 1.776 1.735 3.464 1.00 0.00 C ATOM 305 O CYS A 25 2.589 2.310 2.740 1.00 0.00 O ATOM 306 CB CYS A 25 0.451 0.766 1.566 1.00 0.00 C ATOM 307 SG CYS A 25 -1.091 0.847 0.596 1.00 0.00 S ATOM 0 H CYS A 25 0.057 3.304 2.025 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.159 0.816 3.659 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.254 1.229 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.724 -0.280 1.709 1.00 0.00 H new ATOM 312 N TYR A 26 2.076 1.355 4.709 1.00 0.00 N ATOM 313 CA TYR A 26 3.411 1.569 5.258 1.00 0.00 C ATOM 314 C TYR A 26 4.285 0.364 4.989 1.00 0.00 C ATOM 315 O TYR A 26 3.951 -0.758 5.373 1.00 0.00 O ATOM 316 CB TYR A 26 3.379 1.819 6.772 1.00 0.00 C ATOM 317 CG TYR A 26 2.538 2.997 7.193 1.00 0.00 C ATOM 318 CD1 TYR A 26 1.212 2.824 7.553 1.00 0.00 C ATOM 319 CD2 TYR A 26 3.067 4.279 7.222 1.00 0.00 C ATOM 320 CE1 TYR A 26 0.429 3.900 7.924 1.00 0.00 C ATOM 321 CE2 TYR A 26 2.294 5.362 7.597 1.00 0.00 C ATOM 322 CZ TYR A 26 0.974 5.166 7.944 1.00 0.00 C ATOM 323 OH TYR A 26 0.196 6.242 8.310 1.00 0.00 O ATOM 0 H TYR A 26 1.420 0.904 5.346 1.00 0.00 H new ATOM 0 HA TYR A 26 3.817 2.454 4.768 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.002 0.924 7.267 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.399 1.973 7.124 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.783 1.833 7.544 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.100 4.434 6.947 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.605 3.750 8.197 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.721 6.354 7.618 1.00 0.00 H new ATOM 0 HH TYR A 26 0.732 7.061 8.272 1.00 0.00 H new ATOM 333 N VAL A 27 5.401 0.605 4.337 1.00 0.00 N ATOM 334 CA VAL A 27 6.387 -0.424 4.083 1.00 0.00 C ATOM 335 C VAL A 27 7.641 -0.102 4.916 1.00 0.00 C ATOM 336 O VAL A 27 8.054 1.058 5.014 1.00 0.00 O ATOM 337 CB VAL A 27 6.696 -0.508 2.558 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.747 -1.559 2.231 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.414 -0.805 1.781 1.00 0.00 C ATOM 0 H VAL A 27 5.652 1.522 3.967 1.00 0.00 H new ATOM 0 HA VAL A 27 6.012 -1.404 4.379 1.00 0.00 H new ATOM 0 HB VAL A 27 7.100 0.460 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.923 -1.575 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.676 -1.318 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.395 -2.538 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.639 -0.862 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.998 -1.755 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.690 -0.010 1.957 1.00 0.00 H new ATOM 349 N SER A 28 8.213 -1.139 5.527 1.00 0.00 N ATOM 350 CA SER A 28 9.291 -1.003 6.513 1.00 0.00 C ATOM 351 C SER A 28 10.632 -0.636 5.852 1.00 0.00 C ATOM 352 O SER A 28 10.665 -0.239 4.686 1.00 0.00 O ATOM 353 CB SER A 28 9.390 -2.298 7.319 1.00 0.00 C ATOM 354 OG SER A 28 10.291 -2.175 8.409 1.00 0.00 O ATOM 0 H SER A 28 7.941 -2.106 5.352 1.00 0.00 H new ATOM 0 HA SER A 28 9.055 -0.179 7.187 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.403 -2.569 7.693 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.717 -3.108 6.667 1.00 0.00 H new ATOM 0 HG SER A 28 10.986 -2.862 8.338 1.00 0.00 H new ATOM 360 N GLY A 29 11.735 -0.774 6.602 1.00 0.00 N ATOM 361 CA GLY A 29 12.968 -0.048 6.304 1.00 0.00 C ATOM 362 C GLY A 29 13.627 -0.428 4.991 1.00 0.00 C ATOM 363 O GLY A 29 14.605 0.217 4.608 1.00 0.00 O ATOM 0 H GLY A 29 11.794 -1.383 7.418 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.750 1.020 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.678 -0.218 7.113 1.00 0.00 H new ATOM 367 N PHE A 30 13.164 -1.526 4.374 1.00 0.00 N ATOM 368 CA PHE A 30 13.494 -1.890 2.982 1.00 0.00 C ATOM 369 C PHE A 30 14.012 -0.718 2.149 1.00 0.00 C ATOM 370 O PHE A 30 13.449 0.374 2.177 1.00 0.00 O ATOM 371 CB PHE A 30 12.254 -2.447 2.286 1.00 0.00 C ATOM 372 CG PHE A 30 11.651 -3.672 2.942 1.00 0.00 C ATOM 373 CD1 PHE A 30 12.029 -4.949 2.545 1.00 0.00 C ATOM 374 CD2 PHE A 30 10.694 -3.547 3.944 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.463 -6.073 3.129 1.00 0.00 C ATOM 376 CE2 PHE A 30 10.132 -4.668 4.535 1.00 0.00 C ATOM 377 CZ PHE A 30 10.516 -5.927 4.123 1.00 0.00 C ATOM 0 H PHE A 30 12.543 -2.195 4.830 1.00 0.00 H new ATOM 0 HA PHE A 30 14.290 -2.631 3.048 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.496 -1.665 2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.513 -2.694 1.257 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.773 -5.068 1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.385 -2.563 4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.762 -7.059 2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.395 -4.556 5.316 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.075 -6.801 4.579 1.00 0.00 H new ATOM 387 N HIS A 31 15.053 -0.983 1.370 1.00 0.00 N ATOM 388 CA HIS A 31 15.715 0.052 0.570 1.00 0.00 C ATOM 389 C HIS A 31 14.818 0.446 -0.603 1.00 0.00 C ATOM 390 O HIS A 31 14.686 -0.318 -1.557 1.00 0.00 O ATOM 391 CB HIS A 31 17.069 -0.452 0.039 1.00 0.00 C ATOM 392 CG HIS A 31 17.681 -1.559 0.853 1.00 0.00 C ATOM 393 ND1 HIS A 31 17.628 -2.867 0.431 1.00 0.00 N ATOM 394 CD2 HIS A 31 18.341 -1.507 2.037 1.00 0.00 C ATOM 395 CE1 HIS A 31 18.253 -3.573 1.356 1.00 0.00 C ATOM 396 NE2 HIS A 31 18.699 -2.794 2.349 1.00 0.00 N ATOM 0 H HIS A 31 15.463 -1.912 1.272 1.00 0.00 H new ATOM 0 HA HIS A 31 15.893 0.920 1.205 1.00 0.00 H new ATOM 0 HB2 HIS A 31 16.937 -0.801 -0.985 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.766 0.385 0.004 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.545 -0.622 2.622 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.387 -4.644 1.316 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.208 -3.099 3.179 1.00 0.00 H new ATOM 404 N PRO A 32 14.213 1.648 -0.538 1.00 0.00 N ATOM 405 CA PRO A 32 13.160 2.115 -1.460 1.00 0.00 C ATOM 406 C PRO A 32 13.272 1.646 -2.911 1.00 0.00 C ATOM 407 O PRO A 32 12.328 1.063 -3.446 1.00 0.00 O ATOM 408 CB PRO A 32 13.296 3.632 -1.358 1.00 0.00 C ATOM 409 CG PRO A 32 13.645 3.853 0.071 1.00 0.00 C ATOM 410 CD PRO A 32 14.523 2.686 0.468 1.00 0.00 C ATOM 0 HA PRO A 32 12.191 1.705 -1.175 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.071 4.011 -2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.369 4.137 -1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.170 4.799 0.203 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.749 3.896 0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.579 2.956 0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.299 2.343 1.478 1.00 0.00 H new ATOM 418 N SER A 33 14.410 1.869 -3.544 1.00 0.00 N ATOM 419 CA SER A 33 14.524 1.623 -4.973 1.00 0.00 C ATOM 420 C SER A 33 14.671 0.128 -5.269 1.00 0.00 C ATOM 421 O SER A 33 14.385 -0.327 -6.382 1.00 0.00 O ATOM 422 CB SER A 33 15.702 2.411 -5.551 1.00 0.00 C ATOM 423 OG SER A 33 15.521 2.654 -6.934 1.00 0.00 O ATOM 0 H SER A 33 15.260 2.216 -3.099 1.00 0.00 H new ATOM 0 HA SER A 33 13.606 1.964 -5.453 1.00 0.00 H new ATOM 0 HB2 SER A 33 15.805 3.359 -5.022 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.627 1.856 -5.394 1.00 0.00 H new ATOM 0 HG SER A 33 14.931 3.427 -7.056 1.00 0.00 H new ATOM 429 N ASP A 34 15.099 -0.641 -4.273 1.00 0.00 N ATOM 430 CA ASP A 34 15.336 -2.069 -4.458 1.00 0.00 C ATOM 431 C ASP A 34 14.117 -2.893 -4.064 1.00 0.00 C ATOM 432 O ASP A 34 14.201 -4.116 -3.947 1.00 0.00 O ATOM 433 CB ASP A 34 16.551 -2.539 -3.644 1.00 0.00 C ATOM 434 CG ASP A 34 17.828 -1.809 -4.006 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.445 -2.150 -5.037 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.240 -0.903 -3.249 1.00 0.00 O ATOM 0 H ASP A 34 15.289 -0.300 -3.331 1.00 0.00 H new ATOM 0 HA ASP A 34 15.535 -2.222 -5.519 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.347 -2.397 -2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.694 -3.608 -3.801 1.00 0.00 H new ATOM 441 N ILE A 35 12.977 -2.238 -3.869 1.00 0.00 N ATOM 442 CA ILE A 35 11.772 -2.948 -3.474 1.00 0.00 C ATOM 443 C ILE A 35 10.647 -2.649 -4.445 1.00 0.00 C ATOM 444 O ILE A 35 10.760 -1.749 -5.278 1.00 0.00 O ATOM 445 CB ILE A 35 11.306 -2.594 -2.034 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.284 -1.439 -2.037 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.492 -2.262 -1.137 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.738 -1.111 -0.665 1.00 0.00 C ATOM 0 H ILE A 35 12.865 -1.230 -3.977 1.00 0.00 H new ATOM 0 HA ILE A 35 12.019 -4.009 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 35 10.810 -3.476 -1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.755 -0.549 -2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.456 -1.699 -2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.135 -2.019 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.160 -3.122 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.031 -1.408 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.026 -0.290 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.237 -1.987 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.557 -0.819 -0.008 1.00 0.00 H new ATOM 460 N GLU A 36 9.575 -3.416 -4.355 1.00 0.00 N ATOM 461 CA GLU A 36 8.457 -3.237 -5.220 1.00 0.00 C ATOM 462 C GLU A 36 7.156 -3.349 -4.430 1.00 0.00 C ATOM 463 O GLU A 36 6.905 -4.353 -3.763 1.00 0.00 O ATOM 464 CB GLU A 36 8.550 -4.304 -6.261 1.00 0.00 C ATOM 465 CG GLU A 36 8.568 -3.765 -7.689 1.00 0.00 C ATOM 466 CD GLU A 36 7.406 -2.842 -7.990 1.00 0.00 C ATOM 467 OE1 GLU A 36 6.328 -3.347 -8.362 1.00 0.00 O ATOM 468 OE2 GLU A 36 7.580 -1.608 -7.881 1.00 0.00 O ATOM 0 H GLU A 36 9.470 -4.173 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 36 8.463 -2.250 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.454 -4.888 -6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.705 -4.984 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.502 -3.230 -7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.550 -4.602 -8.387 1.00 0.00 H new ATOM 475 N VAL A 37 6.353 -2.309 -4.504 1.00 0.00 N ATOM 476 CA VAL A 37 5.104 -2.212 -3.737 1.00 0.00 C ATOM 477 C VAL A 37 3.968 -1.661 -4.612 1.00 0.00 C ATOM 478 O VAL A 37 4.173 -0.728 -5.387 1.00 0.00 O ATOM 479 CB VAL A 37 5.276 -1.336 -2.444 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.540 -0.495 -2.524 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.067 -0.441 -2.199 1.00 0.00 C ATOM 0 H VAL A 37 6.538 -1.499 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 37 4.843 -3.221 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 37 5.360 -2.023 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.637 0.103 -1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.407 -1.149 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.484 0.165 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.227 0.148 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.931 0.228 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.177 -1.058 -2.077 1.00 0.00 H new ATOM 491 N ASP A 38 2.777 -2.251 -4.484 1.00 0.00 N ATOM 492 CA ASP A 38 1.592 -1.785 -5.217 1.00 0.00 C ATOM 493 C ASP A 38 0.393 -1.704 -4.262 1.00 0.00 C ATOM 494 O ASP A 38 0.431 -2.254 -3.158 1.00 0.00 O ATOM 495 CB ASP A 38 1.207 -2.740 -6.376 1.00 0.00 C ATOM 496 CG ASP A 38 2.225 -2.837 -7.497 1.00 0.00 C ATOM 497 OD1 ASP A 38 3.046 -3.781 -7.470 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.164 -2.012 -8.435 1.00 0.00 O ATOM 0 H ASP A 38 2.605 -3.054 -3.879 1.00 0.00 H new ATOM 0 HA ASP A 38 1.839 -0.808 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.046 -3.737 -5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.257 -2.411 -6.797 1.00 0.00 H new ATOM 503 N LEU A 39 -0.674 -1.038 -4.705 1.00 0.00 N ATOM 504 CA LEU A 39 -1.931 -1.010 -3.957 1.00 0.00 C ATOM 505 C LEU A 39 -2.986 -1.831 -4.709 1.00 0.00 C ATOM 506 O LEU A 39 -3.191 -1.637 -5.909 1.00 0.00 O ATOM 507 CB LEU A 39 -2.400 0.435 -3.705 1.00 0.00 C ATOM 508 CG LEU A 39 -1.854 1.085 -2.415 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.352 1.338 -2.486 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.579 2.380 -2.106 1.00 0.00 C ATOM 0 H LEU A 39 -0.693 -0.511 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.775 -1.459 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.106 1.050 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.489 0.445 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.036 0.373 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.016 1.796 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.170 0.392 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.135 2.007 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.173 2.815 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.444 3.079 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.642 2.179 -1.971 1.00 0.00 H new ATOM 522 N LEU A 40 -3.628 -2.769 -4.003 1.00 0.00 N ATOM 523 CA LEU A 40 -4.478 -3.785 -4.634 1.00 0.00 C ATOM 524 C LEU A 40 -5.913 -3.798 -4.113 1.00 0.00 C ATOM 525 O LEU A 40 -6.247 -3.162 -3.113 1.00 0.00 O ATOM 526 CB LEU A 40 -3.931 -5.192 -4.380 1.00 0.00 C ATOM 527 CG LEU A 40 -2.497 -5.479 -4.806 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.307 -6.982 -4.894 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.145 -4.829 -6.135 1.00 0.00 C ATOM 0 H LEU A 40 -3.574 -2.845 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.474 -3.520 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.011 -5.396 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.582 -5.902 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.828 -5.050 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.284 -7.202 -5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.500 -7.431 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.000 -7.394 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.112 -5.064 -6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.809 -5.208 -6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.261 -3.748 -6.054 1.00 0.00 H new ATOM 541 N LYS A 41 -6.736 -4.573 -4.815 1.00 0.00 N ATOM 542 CA LYS A 41 -8.068 -4.950 -4.375 1.00 0.00 C ATOM 543 C LYS A 41 -8.162 -6.453 -4.433 1.00 0.00 C ATOM 544 O LYS A 41 -8.221 -6.997 -5.530 1.00 0.00 O ATOM 545 CB LYS A 41 -9.155 -4.402 -5.309 1.00 0.00 C ATOM 546 CG LYS A 41 -8.764 -3.113 -6.026 1.00 0.00 C ATOM 547 CD LYS A 41 -9.829 -2.613 -7.031 1.00 0.00 C ATOM 548 CE LYS A 41 -11.170 -2.286 -6.355 1.00 0.00 C ATOM 549 NZ LYS A 41 -10.994 -1.307 -5.254 1.00 0.00 N ATOM 0 H LYS A 41 -6.486 -4.962 -5.724 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.222 -4.549 -3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.397 -5.161 -6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.061 -4.223 -4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.584 -2.335 -5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.824 -3.273 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.455 -1.724 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.987 -3.373 -7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.864 -1.885 -7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.615 -3.201 -5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.722 -0.568 -5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.084 -1.793 -4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.052 -0.872 -5.323 1.00 0.00 H new ATOM 563 N ASN A 42 -8.205 -7.119 -3.277 1.00 0.00 N ATOM 564 CA ASN A 42 -8.245 -8.586 -3.223 1.00 0.00 C ATOM 565 C ASN A 42 -7.354 -9.214 -4.301 1.00 0.00 C ATOM 566 O ASN A 42 -7.770 -10.101 -5.048 1.00 0.00 O ATOM 567 CB ASN A 42 -9.706 -9.099 -3.298 1.00 0.00 C ATOM 568 CG ASN A 42 -10.567 -8.361 -4.316 1.00 0.00 C ATOM 569 OD1 ASN A 42 -10.793 -8.838 -5.428 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.029 -7.169 -3.941 1.00 0.00 N ATOM 0 H ASN A 42 -8.213 -6.667 -2.363 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.838 -8.901 -2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.696 -10.160 -3.546 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.164 -9.006 -2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.593 -6.615 -4.585 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.818 -6.810 -3.010 1.00 0.00 H new ATOM 577 N GLY A 43 -6.109 -8.738 -4.348 1.00 0.00 N ATOM 578 CA GLY A 43 -5.147 -9.236 -5.316 1.00 0.00 C ATOM 579 C GLY A 43 -5.306 -8.674 -6.724 1.00 0.00 C ATOM 580 O GLY A 43 -4.879 -9.311 -7.689 1.00 0.00 O ATOM 0 H GLY A 43 -5.750 -8.012 -3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.143 -9.007 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.228 -10.322 -5.362 1.00 0.00 H new ATOM 584 N GLU A 44 -5.885 -7.491 -6.862 1.00 0.00 N ATOM 585 CA GLU A 44 -6.092 -6.902 -8.184 1.00 0.00 C ATOM 586 C GLU A 44 -5.537 -5.472 -8.202 1.00 0.00 C ATOM 587 O GLU A 44 -5.985 -4.618 -7.439 1.00 0.00 O ATOM 588 CB GLU A 44 -7.591 -6.937 -8.537 1.00 0.00 C ATOM 589 CG GLU A 44 -7.935 -6.581 -9.983 1.00 0.00 C ATOM 590 CD GLU A 44 -8.516 -5.191 -10.123 1.00 0.00 C ATOM 591 OE1 GLU A 44 -9.601 -4.937 -9.560 1.00 0.00 O ATOM 592 OE2 GLU A 44 -7.916 -4.363 -10.834 1.00 0.00 O ATOM 0 H GLU A 44 -6.219 -6.921 -6.085 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.557 -7.479 -8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.973 -7.936 -8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.118 -6.249 -7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.036 -6.657 -10.595 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.648 -7.308 -10.372 1.00 0.00 H new ATOM 599 N ARG A 45 -4.522 -5.246 -9.039 1.00 0.00 N ATOM 600 CA ARG A 45 -3.822 -3.953 -9.104 1.00 0.00 C ATOM 601 C ARG A 45 -4.795 -2.807 -9.396 1.00 0.00 C ATOM 602 O ARG A 45 -5.429 -2.767 -10.448 1.00 0.00 O ATOM 603 CB ARG A 45 -2.722 -3.992 -10.192 1.00 0.00 C ATOM 604 CG ARG A 45 -1.399 -3.351 -9.771 1.00 0.00 C ATOM 605 CD ARG A 45 -0.354 -3.310 -10.896 1.00 0.00 C ATOM 606 NE ARG A 45 -0.533 -2.170 -11.792 1.00 0.00 N ATOM 607 CZ ARG A 45 0.322 -1.142 -11.855 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.332 -1.055 -10.991 1.00 0.00 N ATOM 609 NH2 ARG A 45 0.160 -0.191 -12.768 1.00 0.00 N ATOM 0 H ARG A 45 -4.161 -5.946 -9.688 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.364 -3.775 -8.131 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.538 -5.030 -10.469 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.091 -3.485 -11.084 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.590 -2.335 -9.426 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.990 -3.903 -8.925 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.643 -3.269 -10.458 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.411 -4.233 -11.473 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.351 -2.157 -12.401 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.456 -1.773 -10.278 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.981 -0.270 -11.043 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.619 -0.242 -13.425 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.814 0.590 -12.812 1.00 0.00 H new ATOM 623 N ILE A 46 -4.884 -1.871 -8.446 1.00 0.00 N ATOM 624 CA ILE A 46 -5.773 -0.719 -8.558 1.00 0.00 C ATOM 625 C ILE A 46 -5.381 0.160 -9.740 1.00 0.00 C ATOM 626 O ILE A 46 -6.169 0.311 -10.668 1.00 0.00 O ATOM 627 CB ILE A 46 -5.753 0.106 -7.252 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.172 -0.786 -6.078 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.660 1.331 -7.358 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.063 -0.135 -4.721 1.00 0.00 C ATOM 0 H ILE A 46 -4.342 -1.894 -7.582 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.784 -1.089 -8.727 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.739 0.468 -7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.203 -1.104 -6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.556 -1.685 -6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.625 1.892 -6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.319 1.966 -8.175 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.684 1.010 -7.550 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.380 -0.840 -3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.029 0.158 -4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.701 0.748 -4.689 1.00 0.00 H new ATOM 642 N GLU A 47 -4.221 0.819 -9.606 1.00 0.00 N ATOM 643 CA GLU A 47 -3.458 1.446 -10.714 1.00 0.00 C ATOM 644 C GLU A 47 -3.223 2.923 -10.438 1.00 0.00 C ATOM 645 O GLU A 47 -2.192 3.466 -10.836 1.00 0.00 O ATOM 646 CB GLU A 47 -4.099 1.337 -12.115 1.00 0.00 C ATOM 647 CG GLU A 47 -4.177 -0.070 -12.697 1.00 0.00 C ATOM 648 CD GLU A 47 -4.642 -0.072 -14.140 1.00 0.00 C ATOM 649 OE1 GLU A 47 -5.856 0.089 -14.379 1.00 0.00 O ATOM 650 OE2 GLU A 47 -3.796 -0.232 -15.043 1.00 0.00 O ATOM 0 H GLU A 47 -3.768 0.938 -8.700 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.531 0.874 -10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.108 1.747 -12.066 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.533 1.965 -12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.196 -0.542 -12.633 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.860 -0.671 -12.097 1.00 0.00 H new ATOM 657 N LYS A 48 -4.161 3.585 -9.754 1.00 0.00 N ATOM 658 CA LYS A 48 -4.088 5.031 -9.569 1.00 0.00 C ATOM 659 C LYS A 48 -3.200 5.354 -8.378 1.00 0.00 C ATOM 660 O LYS A 48 -3.604 6.079 -7.467 1.00 0.00 O ATOM 661 CB LYS A 48 -5.490 5.619 -9.329 1.00 0.00 C ATOM 662 CG LYS A 48 -6.591 5.105 -10.271 1.00 0.00 C ATOM 663 CD LYS A 48 -6.194 5.210 -11.736 1.00 0.00 C ATOM 664 CE LYS A 48 -5.966 6.653 -12.147 1.00 0.00 C ATOM 665 NZ LYS A 48 -5.715 6.787 -13.606 1.00 0.00 N ATOM 0 H LYS A 48 -4.973 3.143 -9.323 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.669 5.472 -10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.785 5.404 -8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.432 6.703 -9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.815 4.066 -10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.505 5.675 -10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.286 4.633 -11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.975 4.772 -12.358 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.837 7.249 -11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.117 7.057 -11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.565 7.789 -13.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.869 6.240 -13.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.535 6.426 -14.134 1.00 0.00 H new ATOM 679 N VAL A 49 -1.992 4.823 -8.385 1.00 0.00 N ATOM 680 CA VAL A 49 -1.082 5.006 -7.274 1.00 0.00 C ATOM 681 C VAL A 49 0.159 5.713 -7.789 1.00 0.00 C ATOM 682 O VAL A 49 0.757 5.298 -8.784 1.00 0.00 O ATOM 683 CB VAL A 49 -0.733 3.652 -6.578 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.688 3.194 -6.847 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.955 3.741 -5.084 1.00 0.00 C ATOM 0 H VAL A 49 -1.619 4.261 -9.150 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.560 5.617 -6.508 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.406 2.911 -7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.868 2.248 -6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.830 3.060 -7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.388 3.944 -6.479 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.705 2.786 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.320 4.523 -4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.000 3.978 -4.885 1.00 0.00 H new ATOM 695 N GLU A 50 0.513 6.815 -7.161 1.00 0.00 N ATOM 696 CA GLU A 50 1.665 7.578 -7.612 1.00 0.00 C ATOM 697 C GLU A 50 2.513 8.044 -6.446 1.00 0.00 C ATOM 698 O GLU A 50 2.101 8.897 -5.665 1.00 0.00 O ATOM 699 CB GLU A 50 1.233 8.804 -8.432 1.00 0.00 C ATOM 700 CG GLU A 50 0.714 8.494 -9.830 1.00 0.00 C ATOM 701 CD GLU A 50 1.766 7.879 -10.728 1.00 0.00 C ATOM 702 OE1 GLU A 50 2.884 8.430 -10.814 1.00 0.00 O ATOM 703 OE2 GLU A 50 1.467 6.858 -11.379 1.00 0.00 O ATOM 0 H GLU A 50 0.030 7.200 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 50 2.256 6.911 -8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.456 9.335 -7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.082 9.482 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.134 7.814 -9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.346 9.413 -10.287 1.00 0.00 H new ATOM 710 N HIS A 51 3.696 7.468 -6.331 1.00 0.00 N ATOM 711 CA HIS A 51 4.735 8.008 -5.489 1.00 0.00 C ATOM 712 C HIS A 51 6.056 7.514 -6.035 1.00 0.00 C ATOM 713 O HIS A 51 6.253 6.316 -6.221 1.00 0.00 O ATOM 714 CB HIS A 51 4.549 7.592 -4.025 1.00 0.00 C ATOM 715 CG HIS A 51 5.409 8.366 -3.061 1.00 0.00 C ATOM 716 ND1 HIS A 51 4.877 9.380 -2.299 1.00 0.00 N ATOM 717 CD2 HIS A 51 6.733 8.248 -2.771 1.00 0.00 C ATOM 718 CE1 HIS A 51 5.875 9.848 -1.569 1.00 0.00 C ATOM 719 NE2 HIS A 51 7.018 9.195 -1.820 1.00 0.00 N ATOM 0 H HIS A 51 3.958 6.613 -6.821 1.00 0.00 H new ATOM 0 HA HIS A 51 4.699 9.097 -5.500 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.502 7.723 -3.750 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.774 6.530 -3.927 1.00 0.00 H new ATOM 0 HD1 HIS A 51 3.910 9.705 -2.297 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.427 7.544 -3.206 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.781 10.656 -0.859 1.00 0.00 H new ATOM 727 N SER A 52 6.940 8.433 -6.319 1.00 0.00 N ATOM 728 CA SER A 52 8.158 8.099 -7.035 1.00 0.00 C ATOM 729 C SER A 52 9.312 7.873 -6.073 1.00 0.00 C ATOM 730 O SER A 52 9.655 8.744 -5.273 1.00 0.00 O ATOM 731 CB SER A 52 8.505 9.218 -8.021 1.00 0.00 C ATOM 732 OG SER A 52 9.546 8.833 -8.911 1.00 0.00 O ATOM 0 H SER A 52 6.847 9.418 -6.070 1.00 0.00 H new ATOM 0 HA SER A 52 7.990 7.173 -7.585 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.617 9.486 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.809 10.108 -7.469 1.00 0.00 H new ATOM 0 HG SER A 52 9.740 9.571 -9.526 1.00 0.00 H new ATOM 738 N ASP A 53 9.881 6.676 -6.154 1.00 0.00 N ATOM 739 CA ASP A 53 11.079 6.332 -5.404 1.00 0.00 C ATOM 740 C ASP A 53 12.220 7.280 -5.772 1.00 0.00 C ATOM 741 O ASP A 53 12.248 7.841 -6.871 1.00 0.00 O ATOM 742 CB ASP A 53 11.451 4.867 -5.676 1.00 0.00 C ATOM 743 CG ASP A 53 12.946 4.613 -5.701 1.00 0.00 C ATOM 744 OD1 ASP A 53 13.485 4.356 -6.804 1.00 0.00 O ATOM 745 OD2 ASP A 53 13.578 4.668 -4.628 1.00 0.00 O ATOM 0 H ASP A 53 9.525 5.920 -6.740 1.00 0.00 H new ATOM 0 HA ASP A 53 10.890 6.443 -4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.997 4.238 -4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.024 4.564 -6.632 1.00 0.00 H new ATOM 750 N LEU A 54 13.149 7.454 -4.847 1.00 0.00 N ATOM 751 CA LEU A 54 14.197 8.469 -4.985 1.00 0.00 C ATOM 752 C LEU A 54 15.309 7.987 -5.918 1.00 0.00 C ATOM 753 O LEU A 54 15.181 6.961 -6.582 1.00 0.00 O ATOM 754 CB LEU A 54 14.817 8.898 -3.619 1.00 0.00 C ATOM 755 CG LEU A 54 14.305 8.220 -2.318 1.00 0.00 C ATOM 756 CD1 LEU A 54 12.799 8.383 -2.119 1.00 0.00 C ATOM 757 CD2 LEU A 54 14.699 6.747 -2.261 1.00 0.00 C ATOM 0 H LEU A 54 13.204 6.907 -3.988 1.00 0.00 H new ATOM 0 HA LEU A 54 13.708 9.344 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 54 15.892 8.730 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.668 9.972 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 54 14.795 8.740 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 54 12.499 7.889 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 54 12.552 9.443 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 54 12.270 7.933 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.324 6.306 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.270 6.222 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.785 6.659 -2.290 1.00 0.00 H new ATOM 769 N SER A 55 16.399 8.731 -5.962 1.00 0.00 N ATOM 770 CA SER A 55 17.512 8.395 -6.834 1.00 0.00 C ATOM 771 C SER A 55 18.423 7.375 -6.160 1.00 0.00 C ATOM 772 O SER A 55 18.726 6.315 -6.717 1.00 0.00 O ATOM 773 CB SER A 55 18.281 9.666 -7.182 1.00 0.00 C ATOM 774 OG SER A 55 18.375 10.528 -6.055 1.00 0.00 O ATOM 0 H SER A 55 16.538 9.573 -5.404 1.00 0.00 H new ATOM 0 HA SER A 55 17.133 7.949 -7.753 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.281 9.407 -7.531 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.782 10.185 -8.001 1.00 0.00 H new ATOM 0 HG SER A 55 18.873 11.335 -6.301 1.00 0.00 H new ATOM 780 N PHE A 56 18.839 7.701 -4.948 1.00 0.00 N ATOM 781 CA PHE A 56 19.641 6.804 -4.142 1.00 0.00 C ATOM 782 C PHE A 56 18.735 6.023 -3.203 1.00 0.00 C ATOM 783 O PHE A 56 18.068 6.598 -2.343 1.00 0.00 O ATOM 784 CB PHE A 56 20.687 7.594 -3.351 1.00 0.00 C ATOM 785 CG PHE A 56 21.699 8.283 -4.224 1.00 0.00 C ATOM 786 CD1 PHE A 56 22.894 7.658 -4.549 1.00 0.00 C ATOM 787 CD2 PHE A 56 21.455 9.553 -4.724 1.00 0.00 C ATOM 788 CE1 PHE A 56 23.823 8.287 -5.353 1.00 0.00 C ATOM 789 CE2 PHE A 56 22.382 10.185 -5.529 1.00 0.00 C ATOM 790 CZ PHE A 56 23.568 9.553 -5.845 1.00 0.00 C ATOM 0 H PHE A 56 18.630 8.592 -4.499 1.00 0.00 H new ATOM 0 HA PHE A 56 20.166 6.104 -4.792 1.00 0.00 H new ATOM 0 HB2 PHE A 56 20.181 8.339 -2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 56 21.205 6.918 -2.671 1.00 0.00 H new ATOM 0 HD1 PHE A 56 23.100 6.668 -4.169 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.529 10.054 -4.481 1.00 0.00 H new ATOM 0 HE1 PHE A 56 24.750 7.789 -5.598 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.179 11.174 -5.912 1.00 0.00 H new ATOM 0 HZ PHE A 56 24.294 10.046 -6.474 1.00 0.00 H new ATOM 800 N SER A 57 18.720 4.712 -3.404 1.00 0.00 N ATOM 801 CA SER A 57 17.851 3.801 -2.671 1.00 0.00 C ATOM 802 C SER A 57 18.084 3.897 -1.166 1.00 0.00 C ATOM 803 O SER A 57 17.128 4.017 -0.404 1.00 0.00 O ATOM 804 CB SER A 57 18.100 2.373 -3.156 1.00 0.00 C ATOM 805 OG SER A 57 17.140 1.468 -2.644 1.00 0.00 O ATOM 0 H SER A 57 19.317 4.246 -4.088 1.00 0.00 H new ATOM 0 HA SER A 57 16.814 4.081 -2.859 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.076 2.350 -4.245 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.097 2.055 -2.852 1.00 0.00 H new ATOM 0 HG SER A 57 17.465 0.550 -2.752 1.00 0.00 H new ATOM 811 N LYS A 58 19.356 3.850 -0.753 1.00 0.00 N ATOM 812 CA LYS A 58 19.738 3.947 0.664 1.00 0.00 C ATOM 813 C LYS A 58 19.333 2.680 1.426 1.00 0.00 C ATOM 814 O LYS A 58 18.387 1.996 1.054 1.00 0.00 O ATOM 815 CB LYS A 58 19.103 5.181 1.323 1.00 0.00 C ATOM 816 CG LYS A 58 19.368 6.481 0.580 1.00 0.00 C ATOM 817 CD LYS A 58 18.747 7.670 1.295 1.00 0.00 C ATOM 818 CE LYS A 58 18.786 8.920 0.431 1.00 0.00 C ATOM 819 NZ LYS A 58 17.948 8.777 -0.790 1.00 0.00 N ATOM 0 H LYS A 58 20.148 3.744 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 58 20.822 4.050 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 58 18.026 5.028 1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.481 5.272 2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 58 20.443 6.634 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 58 18.965 6.412 -0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.714 7.440 1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 58 19.280 7.854 2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.438 9.774 1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 58 19.816 9.130 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.933 9.678 -1.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.346 8.034 -1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.978 8.519 -0.517 1.00 0.00 H new ATOM 833 N ASP A 59 20.046 2.381 2.508 1.00 0.00 N ATOM 834 CA ASP A 59 19.808 1.143 3.257 1.00 0.00 C ATOM 835 C ASP A 59 18.686 1.316 4.277 1.00 0.00 C ATOM 836 O ASP A 59 18.459 0.446 5.122 1.00 0.00 O ATOM 837 CB ASP A 59 21.085 0.665 3.963 1.00 0.00 C ATOM 838 CG ASP A 59 21.526 1.588 5.081 1.00 0.00 C ATOM 839 OD1 ASP A 59 22.209 2.594 4.792 1.00 0.00 O ATOM 840 OD2 ASP A 59 21.214 1.305 6.257 1.00 0.00 O ATOM 0 H ASP A 59 20.788 2.970 2.886 1.00 0.00 H new ATOM 0 HA ASP A 59 19.505 0.386 2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.917 -0.333 4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.888 0.581 3.231 1.00 0.00 H new ATOM 845 N TRP A 60 17.985 2.436 4.185 1.00 0.00 N ATOM 846 CA TRP A 60 16.846 2.700 5.048 1.00 0.00 C ATOM 847 C TRP A 60 15.858 3.620 4.350 1.00 0.00 C ATOM 848 O TRP A 60 16.232 4.636 3.765 1.00 0.00 O ATOM 849 CB TRP A 60 17.285 3.261 6.415 1.00 0.00 C ATOM 850 CG TRP A 60 17.742 4.695 6.432 1.00 0.00 C ATOM 851 CD1 TRP A 60 17.207 5.704 7.192 1.00 0.00 C ATOM 852 CD2 TRP A 60 18.822 5.286 5.683 1.00 0.00 C ATOM 853 NE1 TRP A 60 17.891 6.871 6.976 1.00 0.00 N ATOM 854 CE2 TRP A 60 18.880 6.649 6.050 1.00 0.00 C ATOM 855 CE3 TRP A 60 19.746 4.804 4.739 1.00 0.00 C ATOM 856 CZ2 TRP A 60 19.822 7.525 5.513 1.00 0.00 C ATOM 857 CZ3 TRP A 60 20.673 5.675 4.210 1.00 0.00 C ATOM 858 CH2 TRP A 60 20.707 7.023 4.594 1.00 0.00 C ATOM 0 H TRP A 60 18.187 3.180 3.517 1.00 0.00 H new ATOM 0 HA TRP A 60 16.343 1.754 5.248 1.00 0.00 H new ATOM 0 HB2 TRP A 60 16.452 3.159 7.110 1.00 0.00 H new ATOM 0 HB3 TRP A 60 18.095 2.639 6.796 1.00 0.00 H new ATOM 0 HD1 TRP A 60 16.368 5.594 7.863 1.00 0.00 H new ATOM 0 HE1 TRP A 60 17.696 7.763 7.431 1.00 0.00 H new ATOM 0 HE3 TRP A 60 19.729 3.768 4.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 19.854 8.563 5.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 21.387 5.312 3.486 1.00 0.00 H new ATOM 0 HH2 TRP A 60 21.445 7.679 4.157 1.00 0.00 H new ATOM 869 N SER A 61 14.595 3.231 4.392 1.00 0.00 N ATOM 870 CA SER A 61 13.544 3.944 3.689 1.00 0.00 C ATOM 871 C SER A 61 12.985 5.087 4.514 1.00 0.00 C ATOM 872 O SER A 61 12.196 5.894 4.015 1.00 0.00 O ATOM 873 CB SER A 61 12.417 2.979 3.355 1.00 0.00 C ATOM 874 OG SER A 61 11.915 2.358 4.528 1.00 0.00 O ATOM 0 H SER A 61 14.271 2.416 4.912 1.00 0.00 H new ATOM 0 HA SER A 61 13.977 4.362 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.613 3.514 2.850 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.778 2.218 2.663 1.00 0.00 H new ATOM 0 HG SER A 61 11.527 1.488 4.297 1.00 0.00 H new ATOM 880 N PHE A 62 13.424 5.136 5.779 1.00 0.00 N ATOM 881 CA PHE A 62 12.905 6.061 6.793 1.00 0.00 C ATOM 882 C PHE A 62 11.384 6.222 6.703 1.00 0.00 C ATOM 883 O PHE A 62 10.855 7.305 6.964 1.00 0.00 O ATOM 884 CB PHE A 62 13.630 7.424 6.741 1.00 0.00 C ATOM 885 CG PHE A 62 13.726 8.057 5.376 1.00 0.00 C ATOM 886 CD1 PHE A 62 12.714 8.873 4.897 1.00 0.00 C ATOM 887 CD2 PHE A 62 14.838 7.835 4.575 1.00 0.00 C ATOM 888 CE1 PHE A 62 12.806 9.455 3.648 1.00 0.00 C ATOM 889 CE2 PHE A 62 14.934 8.414 3.324 1.00 0.00 C ATOM 890 CZ PHE A 62 13.917 9.225 2.860 1.00 0.00 C ATOM 0 H PHE A 62 14.161 4.525 6.131 1.00 0.00 H new ATOM 0 HA PHE A 62 13.116 5.617 7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.115 8.116 7.407 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.638 7.295 7.134 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.842 9.056 5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.637 7.203 4.934 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.010 10.090 3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.804 8.232 2.710 1.00 0.00 H new ATOM 0 HZ PHE A 62 13.990 9.679 1.883 1.00 0.00 H new ATOM 900 N TYR A 63 10.717 5.118 6.322 1.00 0.00 N ATOM 901 CA TYR A 63 9.254 5.024 6.210 1.00 0.00 C ATOM 902 C TYR A 63 8.800 5.332 4.779 1.00 0.00 C ATOM 903 O TYR A 63 8.891 6.462 4.294 1.00 0.00 O ATOM 904 CB TYR A 63 8.527 5.893 7.262 1.00 0.00 C ATOM 905 CG TYR A 63 8.029 5.098 8.464 1.00 0.00 C ATOM 906 CD1 TYR A 63 6.706 5.192 8.897 1.00 0.00 C ATOM 907 CD2 TYR A 63 8.881 4.238 9.158 1.00 0.00 C ATOM 908 CE1 TYR A 63 6.251 4.457 9.984 1.00 0.00 C ATOM 909 CE2 TYR A 63 8.430 3.503 10.245 1.00 0.00 C ATOM 910 CZ TYR A 63 7.118 3.619 10.650 1.00 0.00 C ATOM 911 OH TYR A 63 6.669 2.886 11.723 1.00 0.00 O ATOM 0 H TYR A 63 11.192 4.249 6.079 1.00 0.00 H new ATOM 0 HA TYR A 63 8.970 3.995 6.430 1.00 0.00 H new ATOM 0 HB2 TYR A 63 9.204 6.674 7.608 1.00 0.00 H new ATOM 0 HB3 TYR A 63 7.681 6.391 6.789 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.023 5.848 8.377 1.00 0.00 H new ATOM 0 HD2 TYR A 63 9.910 4.143 8.843 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.223 4.542 10.305 1.00 0.00 H new ATOM 0 HE2 TYR A 63 9.104 2.843 10.771 1.00 0.00 H new ATOM 0 HH TYR A 63 7.404 2.345 12.080 1.00 0.00 H new ATOM 921 N LEU A 64 8.308 4.282 4.129 1.00 0.00 N ATOM 922 CA LEU A 64 7.871 4.307 2.725 1.00 0.00 C ATOM 923 C LEU A 64 6.349 4.292 2.656 1.00 0.00 C ATOM 924 O LEU A 64 5.706 3.427 3.258 1.00 0.00 O ATOM 925 CB LEU A 64 8.401 3.055 2.015 1.00 0.00 C ATOM 926 CG LEU A 64 9.741 3.187 1.288 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.383 1.815 1.151 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.528 3.796 -0.088 1.00 0.00 C ATOM 0 H LEU A 64 8.197 3.368 4.567 1.00 0.00 H new ATOM 0 HA LEU A 64 8.252 5.209 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.493 2.259 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.652 2.733 1.291 1.00 0.00 H new ATOM 0 HG LEU A 64 10.399 3.838 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.337 1.910 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.548 1.390 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.724 1.160 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.487 3.886 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.866 3.156 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.078 4.783 0.017 1.00 0.00 H new ATOM 940 N LEU A 65 5.772 5.250 1.937 1.00 0.00 N ATOM 941 CA LEU A 65 4.325 5.323 1.779 1.00 0.00 C ATOM 942 C LEU A 65 3.934 5.734 0.350 1.00 0.00 C ATOM 943 O LEU A 65 4.625 6.523 -0.292 1.00 0.00 O ATOM 944 CB LEU A 65 3.758 6.325 2.795 1.00 0.00 C ATOM 945 CG LEU A 65 2.264 6.641 2.676 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.425 5.403 2.935 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.879 7.752 3.640 1.00 0.00 C ATOM 0 H LEU A 65 6.286 5.987 1.454 1.00 0.00 H new ATOM 0 HA LEU A 65 3.905 4.334 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.947 5.940 3.797 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.313 7.258 2.702 1.00 0.00 H new ATOM 0 HG LEU A 65 2.068 6.977 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.368 5.654 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.679 4.633 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.625 5.032 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.814 7.965 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.095 7.439 4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.451 8.650 3.407 1.00 0.00 H new ATOM 959 N TYR A 66 2.821 5.179 -0.128 1.00 0.00 N ATOM 960 CA TYR A 66 2.260 5.479 -1.452 1.00 0.00 C ATOM 961 C TYR A 66 0.783 5.845 -1.271 1.00 0.00 C ATOM 962 O TYR A 66 0.210 5.544 -0.222 1.00 0.00 O ATOM 963 CB TYR A 66 2.386 4.247 -2.372 1.00 0.00 C ATOM 964 CG TYR A 66 3.818 3.949 -2.793 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.249 4.218 -4.088 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.740 3.408 -1.902 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.549 3.960 -4.480 1.00 0.00 C ATOM 968 CE2 TYR A 66 6.044 3.148 -2.292 1.00 0.00 C ATOM 969 CZ TYR A 66 6.440 3.426 -3.580 1.00 0.00 C ATOM 970 OH TYR A 66 7.733 3.170 -3.969 1.00 0.00 O ATOM 0 H TYR A 66 2.273 4.498 0.398 1.00 0.00 H new ATOM 0 HA TYR A 66 2.802 6.306 -1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.978 3.376 -1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.779 4.405 -3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.554 4.637 -4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.434 3.187 -0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.864 4.177 -5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.747 2.729 -1.587 1.00 0.00 H new ATOM 0 HH TYR A 66 8.233 2.795 -3.214 1.00 0.00 H new ATOM 980 N TYR A 67 0.159 6.488 -2.258 1.00 0.00 N ATOM 981 CA TYR A 67 -1.248 6.867 -2.109 1.00 0.00 C ATOM 982 C TYR A 67 -2.074 6.591 -3.375 1.00 0.00 C ATOM 983 O TYR A 67 -1.606 6.818 -4.492 1.00 0.00 O ATOM 984 CB TYR A 67 -1.405 8.334 -1.656 1.00 0.00 C ATOM 985 CG TYR A 67 -0.410 9.328 -2.242 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.683 9.761 -1.497 1.00 0.00 C ATOM 987 CD2 TYR A 67 -0.572 9.850 -3.519 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.584 10.675 -2.007 1.00 0.00 C ATOM 989 CE2 TYR A 67 0.330 10.766 -4.037 1.00 0.00 C ATOM 990 CZ TYR A 67 1.404 11.173 -3.275 1.00 0.00 C ATOM 991 OH TYR A 67 2.298 12.087 -3.782 1.00 0.00 O ATOM 0 H TYR A 67 0.589 6.752 -3.145 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.648 6.229 -1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.411 8.666 -1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.324 8.368 -0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.830 9.374 -0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.414 9.537 -4.118 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.426 10.997 -1.412 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.192 11.159 -5.033 1.00 0.00 H new ATOM 0 HH TYR A 67 2.029 12.339 -4.690 1.00 0.00 H new ATOM 1001 N THR A 68 -3.301 6.086 -3.177 1.00 0.00 N ATOM 1002 CA THR A 68 -4.236 5.803 -4.271 1.00 0.00 C ATOM 1003 C THR A 68 -5.659 6.198 -3.853 1.00 0.00 C ATOM 1004 O THR A 68 -6.019 6.106 -2.673 1.00 0.00 O ATOM 1005 CB THR A 68 -4.214 4.300 -4.677 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.628 4.152 -6.038 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.134 3.455 -3.810 1.00 0.00 C ATOM 0 H THR A 68 -3.671 5.863 -2.253 1.00 0.00 H new ATOM 0 HA THR A 68 -3.922 6.390 -5.134 1.00 0.00 H new ATOM 0 HB THR A 68 -3.189 3.955 -4.541 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.590 5.022 -6.488 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.084 2.415 -4.132 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.821 3.528 -2.769 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.158 3.816 -3.907 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.423 6.701 -4.820 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.856 6.981 -4.650 1.00 0.00 C ATOM 1017 C GLU A 69 -8.618 5.721 -4.227 1.00 0.00 C ATOM 1018 O GLU A 69 -8.450 4.666 -4.844 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.434 7.468 -5.987 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.860 7.999 -5.891 1.00 0.00 C ATOM 1021 CD GLU A 69 -9.940 9.361 -5.241 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -10.051 9.425 -4.006 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -9.920 10.371 -5.980 1.00 0.00 O ATOM 0 H GLU A 69 -6.069 6.928 -5.749 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.966 7.740 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.791 8.253 -6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.411 6.645 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.290 8.054 -6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.467 7.295 -5.322 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.449 5.808 -3.184 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.287 4.671 -2.808 1.00 0.00 C ATOM 1032 C PHE A 70 -11.731 5.082 -2.572 1.00 0.00 C ATOM 1033 O PHE A 70 -12.012 6.238 -2.284 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.732 3.970 -1.555 1.00 0.00 C ATOM 1035 CG PHE A 70 -9.984 4.643 -0.215 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -11.270 4.862 0.260 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -8.919 5.017 0.588 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -11.490 5.442 1.494 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -9.134 5.602 1.827 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.423 5.812 2.280 1.00 0.00 C ATOM 0 H PHE A 70 -9.557 6.636 -2.598 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.268 3.974 -3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.155 2.966 -1.514 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.655 3.857 -1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -12.115 4.573 -0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.908 4.851 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -12.499 5.605 1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.293 5.894 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.592 6.264 3.246 1.00 0.00 H new ATOM 1050 N THR A 71 -12.640 4.130 -2.727 1.00 0.00 N ATOM 1051 CA THR A 71 -14.011 4.280 -2.254 1.00 0.00 C ATOM 1052 C THR A 71 -14.530 2.936 -1.729 1.00 0.00 C ATOM 1053 O THR A 71 -14.698 2.001 -2.510 1.00 0.00 O ATOM 1054 CB THR A 71 -14.921 4.794 -3.395 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.363 5.996 -3.945 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.332 5.075 -2.896 1.00 0.00 C ATOM 0 H THR A 71 -12.451 3.237 -3.181 1.00 0.00 H new ATOM 0 HA THR A 71 -14.026 5.009 -1.444 1.00 0.00 H new ATOM 0 HB THR A 71 -14.978 4.020 -4.160 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.938 6.322 -4.669 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.945 5.434 -3.722 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.765 4.159 -2.494 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.297 5.833 -2.114 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.758 2.787 -0.399 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.202 1.510 0.152 1.00 0.00 C ATOM 1066 C PRO A 72 -16.622 1.177 -0.238 1.00 0.00 C ATOM 1067 O PRO A 72 -17.512 2.029 -0.233 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.094 1.658 1.672 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.655 3.065 1.949 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.614 3.824 0.647 1.00 0.00 C ATOM 0 HA PRO A 72 -14.589 0.696 -0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.053 1.453 2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.378 0.944 2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.343 3.545 2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.672 3.068 2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.419 4.557 0.591 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.677 4.370 0.537 1.00 0.00 H new ATOM 1078 N THR A 73 -16.801 -0.079 -0.576 1.00 0.00 N ATOM 1079 CA THR A 73 -18.086 -0.624 -0.947 1.00 0.00 C ATOM 1080 C THR A 73 -18.327 -1.901 -0.153 1.00 0.00 C ATOM 1081 O THR A 73 -17.382 -2.501 0.364 1.00 0.00 O ATOM 1082 CB THR A 73 -18.130 -0.930 -2.461 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.085 -1.850 -2.809 1.00 0.00 O ATOM 1084 CG2 THR A 73 -17.981 0.345 -3.277 1.00 0.00 C ATOM 0 H THR A 73 -16.044 -0.762 -0.601 1.00 0.00 H new ATOM 0 HA THR A 73 -18.864 0.106 -0.724 1.00 0.00 H new ATOM 0 HB THR A 73 -19.098 -1.377 -2.688 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.122 -2.039 -3.770 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.015 0.103 -4.339 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.794 1.029 -3.034 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.027 0.817 -3.043 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.590 -2.297 -0.036 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.964 -3.545 0.624 1.00 0.00 C ATOM 1094 C GLU A 74 -19.322 -4.779 -0.051 1.00 0.00 C ATOM 1095 O GLU A 74 -19.413 -5.895 0.457 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.509 -3.634 0.661 1.00 0.00 C ATOM 1097 CG GLU A 74 -22.042 -4.975 1.105 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.827 -5.223 2.582 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -21.750 -4.237 3.350 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -21.764 -6.399 2.988 1.00 0.00 O ATOM 0 H GLU A 74 -20.382 -1.764 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.579 -3.544 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.890 -2.864 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.898 -3.412 -0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.107 -5.031 0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.554 -5.764 0.532 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.654 -4.579 -1.181 1.00 0.00 N ATOM 1108 CA LYS A 75 -18.063 -5.697 -1.912 1.00 0.00 C ATOM 1109 C LYS A 75 -16.516 -5.722 -1.925 1.00 0.00 C ATOM 1110 O LYS A 75 -15.939 -6.809 -1.928 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.582 -5.711 -3.360 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.109 -5.774 -3.511 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.635 -7.203 -3.652 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.395 -8.048 -2.408 1.00 0.00 C ATOM 1115 NZ LYS A 75 -21.101 -9.356 -2.484 1.00 0.00 N ATOM 0 H LYS A 75 -18.508 -3.664 -1.609 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.374 -6.590 -1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.220 -4.816 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.147 -6.567 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.574 -5.305 -2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.407 -5.195 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.704 -7.172 -3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.154 -7.679 -4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.325 -8.219 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.734 -7.503 -1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.913 -9.903 -1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -22.124 -9.193 -2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -20.759 -9.887 -3.310 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.835 -4.571 -1.940 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.409 -4.561 -2.284 1.00 0.00 C ATOM 1131 C ASP A 76 -13.464 -4.497 -1.066 1.00 0.00 C ATOM 1132 O ASP A 76 -13.718 -3.786 -0.091 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.092 -3.406 -3.224 1.00 0.00 C ATOM 1134 CG ASP A 76 -12.650 -3.440 -3.653 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -12.279 -4.356 -4.416 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -11.885 -2.554 -3.239 1.00 0.00 O ATOM 0 H ASP A 76 -16.234 -3.658 -1.724 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.226 -5.517 -2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.737 -3.458 -4.101 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.305 -2.459 -2.728 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.372 -5.260 -1.166 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.300 -5.313 -0.162 1.00 0.00 C ATOM 1143 C GLU A 77 -10.064 -4.579 -0.685 1.00 0.00 C ATOM 1144 O GLU A 77 -9.751 -4.666 -1.871 1.00 0.00 O ATOM 1145 CB GLU A 77 -10.929 -6.777 0.079 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.843 -7.003 1.119 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.508 -8.469 1.250 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.674 -8.963 0.465 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -10.096 -9.141 2.118 1.00 0.00 O ATOM 0 H GLU A 77 -12.203 -5.872 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.642 -4.844 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.824 -7.317 0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.603 -7.214 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.948 -6.446 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.173 -6.615 2.083 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.340 -3.903 0.198 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.142 -3.164 -0.204 1.00 0.00 C ATOM 1158 C TYR A 78 -6.896 -3.749 0.460 1.00 0.00 C ATOM 1159 O TYR A 78 -6.889 -3.997 1.667 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.286 -1.673 0.132 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.324 -0.951 -0.706 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -8.940 -0.112 -1.744 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -10.685 -1.108 -0.462 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -9.877 0.550 -2.513 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -11.629 -0.447 -1.230 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.218 0.382 -2.253 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.149 1.033 -3.030 1.00 0.00 O ATOM 0 H TYR A 78 -9.557 -3.849 1.193 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.029 -3.261 -1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.549 -1.572 1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.321 -1.185 -0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.889 0.025 -1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -11.010 -1.755 0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.558 1.198 -3.316 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.682 -0.580 -1.029 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.998 1.092 -2.543 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.849 -3.984 -0.337 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.621 -4.611 0.144 1.00 0.00 C ATOM 1179 C ALA A 79 -3.393 -3.910 -0.432 1.00 0.00 C ATOM 1180 O ALA A 79 -3.489 -3.247 -1.458 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.603 -6.074 -0.261 1.00 0.00 C ATOM 0 H ALA A 79 -5.832 -3.745 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.593 -4.527 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.686 -6.540 0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.463 -6.583 0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.647 -6.151 -1.347 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.245 -4.052 0.222 1.00 0.00 N ATOM 1188 CA CYS A 80 -1.015 -3.450 -0.282 1.00 0.00 C ATOM 1189 C CYS A 80 0.107 -4.510 -0.367 1.00 0.00 C ATOM 1190 O CYS A 80 0.445 -5.148 0.625 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.657 -2.255 0.614 1.00 0.00 C ATOM 1192 SG CYS A 80 -1.981 -0.990 0.673 1.00 0.00 S ATOM 0 H CYS A 80 -2.140 -4.573 1.093 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.150 -3.078 -1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.456 -2.612 1.624 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.262 -1.796 0.249 1.00 0.00 H new ATOM 1197 N ARG A 81 0.642 -4.715 -1.579 1.00 0.00 N ATOM 1198 CA ARG A 81 1.590 -5.809 -1.874 1.00 0.00 C ATOM 1199 C ARG A 81 3.037 -5.302 -1.861 1.00 0.00 C ATOM 1200 O ARG A 81 3.315 -4.228 -2.388 1.00 0.00 O ATOM 1201 CB ARG A 81 1.261 -6.354 -3.272 1.00 0.00 C ATOM 1202 CG ARG A 81 1.782 -7.764 -3.610 1.00 0.00 C ATOM 1203 CD ARG A 81 1.260 -8.218 -4.986 1.00 0.00 C ATOM 1204 NE ARG A 81 1.706 -7.282 -6.024 1.00 0.00 N ATOM 1205 CZ ARG A 81 1.734 -7.540 -7.330 1.00 0.00 C ATOM 1206 NH1 ARG A 81 1.261 -8.687 -7.803 1.00 0.00 N ATOM 1207 NH2 ARG A 81 2.229 -6.632 -8.168 1.00 0.00 N ATOM 0 H ARG A 81 0.432 -4.128 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 81 1.495 -6.585 -1.114 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.177 -6.355 -3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.661 -5.659 -4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.872 -7.765 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.463 -8.469 -2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.623 -9.221 -5.209 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.171 -8.268 -4.973 1.00 0.00 H new ATOM 0 HE ARG A 81 2.020 -6.360 -5.721 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.872 -9.380 -7.164 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.287 -8.875 -8.805 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.584 -5.746 -7.808 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.254 -6.822 -9.170 1.00 0.00 H new ATOM 1221 N VAL A 82 3.954 -6.059 -1.256 1.00 0.00 N ATOM 1222 CA VAL A 82 5.369 -5.678 -1.293 1.00 0.00 C ATOM 1223 C VAL A 82 6.288 -6.876 -1.515 1.00 0.00 C ATOM 1224 O VAL A 82 6.055 -7.970 -0.997 1.00 0.00 O ATOM 1225 CB VAL A 82 5.816 -4.907 -0.024 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.193 -5.855 1.104 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.970 -3.974 -0.356 1.00 0.00 C ATOM 0 H VAL A 82 3.751 -6.919 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 82 5.461 -5.008 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 82 4.972 -4.311 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.501 -5.278 1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.333 -6.473 1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.016 -6.494 0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.275 -3.438 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.811 -4.555 -0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.653 -3.259 -1.115 1.00 0.00 H new ATOM 1237 N ASN A 83 7.316 -6.641 -2.318 1.00 0.00 N ATOM 1238 CA ASN A 83 8.307 -7.660 -2.628 1.00 0.00 C ATOM 1239 C ASN A 83 9.708 -7.089 -2.593 1.00 0.00 C ATOM 1240 O ASN A 83 9.939 -5.937 -2.966 1.00 0.00 O ATOM 1241 CB ASN A 83 8.019 -8.271 -4.003 1.00 0.00 C ATOM 1242 CG ASN A 83 8.902 -9.464 -4.312 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.317 -10.197 -3.414 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.182 -9.677 -5.588 1.00 0.00 N ATOM 0 H ASN A 83 7.486 -5.743 -2.771 1.00 0.00 H new ATOM 0 HA ASN A 83 8.242 -8.439 -1.869 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.974 -8.577 -4.048 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.162 -7.510 -4.771 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.761 -10.472 -5.857 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.819 -9.046 -6.302 1.00 0.00 H new ATOM 1251 N HIS A 84 10.630 -7.908 -2.122 1.00 0.00 N ATOM 1252 CA HIS A 84 12.034 -7.562 -2.079 1.00 0.00 C ATOM 1253 C HIS A 84 12.835 -8.765 -2.572 1.00 0.00 C ATOM 1254 O HIS A 84 12.310 -9.877 -2.588 1.00 0.00 O ATOM 1255 CB HIS A 84 12.452 -7.196 -0.643 1.00 0.00 C ATOM 1256 CG HIS A 84 13.832 -6.611 -0.518 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.954 -7.405 -0.518 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.209 -5.318 -0.383 1.00 0.00 C ATOM 1259 CE1 HIS A 84 15.981 -6.582 -0.383 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.578 -5.309 -0.297 1.00 0.00 N ATOM 0 H HIS A 84 10.422 -8.837 -1.757 1.00 0.00 H new ATOM 0 HA HIS A 84 12.225 -6.697 -2.714 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.732 -6.483 -0.241 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.394 -8.091 -0.023 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.557 -4.458 -0.349 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.013 -6.897 -0.347 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.175 -4.489 -0.188 1.00 0.00 H new ATOM 1268 N VAL A 85 14.071 -8.547 -2.990 1.00 0.00 N ATOM 1269 CA VAL A 85 14.933 -9.644 -3.445 1.00 0.00 C ATOM 1270 C VAL A 85 15.016 -10.773 -2.406 1.00 0.00 C ATOM 1271 O VAL A 85 15.118 -11.948 -2.766 1.00 0.00 O ATOM 1272 CB VAL A 85 16.362 -9.159 -3.777 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.199 -10.295 -4.358 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.322 -7.981 -4.738 1.00 0.00 C ATOM 0 H VAL A 85 14.506 -7.625 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 85 14.472 -10.029 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 85 16.830 -8.829 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.201 -9.930 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.263 -11.107 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.731 -10.661 -5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.339 -7.656 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.829 -8.282 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.769 -7.159 -4.283 1.00 0.00 H new ATOM 1284 N THR A 86 14.942 -10.424 -1.123 1.00 0.00 N ATOM 1285 CA THR A 86 15.082 -11.431 -0.062 1.00 0.00 C ATOM 1286 C THR A 86 13.903 -12.408 -0.065 1.00 0.00 C ATOM 1287 O THR A 86 14.104 -13.624 -0.010 1.00 0.00 O ATOM 1288 CB THR A 86 15.243 -10.802 1.351 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.186 -11.826 2.354 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.172 -9.754 1.631 1.00 0.00 C ATOM 0 H THR A 86 14.789 -9.471 -0.792 1.00 0.00 H new ATOM 0 HA THR A 86 16.000 -11.975 -0.285 1.00 0.00 H new ATOM 0 HB THR A 86 16.214 -10.307 1.381 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.290 -11.422 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.321 -9.339 2.628 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.242 -8.956 0.892 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.187 -10.216 1.573 1.00 0.00 H new ATOM 1298 N LEU A 87 12.680 -11.883 -0.102 1.00 0.00 N ATOM 1299 CA LEU A 87 11.497 -12.734 -0.202 1.00 0.00 C ATOM 1300 C LEU A 87 11.480 -13.470 -1.537 1.00 0.00 C ATOM 1301 O LEU A 87 12.047 -13.002 -2.522 1.00 0.00 O ATOM 1302 CB LEU A 87 10.207 -11.919 -0.090 1.00 0.00 C ATOM 1303 CG LEU A 87 10.155 -10.888 1.035 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.913 -10.035 0.892 1.00 0.00 C ATOM 1305 CD2 LEU A 87 10.186 -11.569 2.396 1.00 0.00 C ATOM 0 H LEU A 87 12.483 -10.883 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 87 11.547 -13.445 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.045 -11.402 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.375 -12.611 0.041 1.00 0.00 H new ATOM 0 HG LEU A 87 11.034 -10.247 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.881 -9.301 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.934 -9.519 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.028 -10.669 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.148 -10.814 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.327 -12.234 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.105 -12.147 2.493 1.00 0.00 H new ATOM 1317 N SER A 88 10.831 -14.619 -1.557 1.00 0.00 N ATOM 1318 CA SER A 88 10.610 -15.358 -2.790 1.00 0.00 C ATOM 1319 C SER A 88 9.131 -15.278 -3.168 1.00 0.00 C ATOM 1320 O SER A 88 8.693 -15.823 -4.184 1.00 0.00 O ATOM 1321 CB SER A 88 11.071 -16.807 -2.616 1.00 0.00 C ATOM 1322 OG SER A 88 10.639 -17.341 -1.373 1.00 0.00 O ATOM 0 H SER A 88 10.444 -15.066 -0.726 1.00 0.00 H new ATOM 0 HA SER A 88 11.193 -14.920 -3.600 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.680 -17.416 -3.431 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.158 -16.855 -2.676 1.00 0.00 H new ATOM 0 HG SER A 88 9.715 -17.657 -1.456 1.00 0.00 H new ATOM 1328 N GLN A 89 8.374 -14.593 -2.314 1.00 0.00 N ATOM 1329 CA GLN A 89 6.964 -14.324 -2.553 1.00 0.00 C ATOM 1330 C GLN A 89 6.567 -13.008 -1.874 1.00 0.00 C ATOM 1331 O GLN A 89 6.800 -12.840 -0.675 1.00 0.00 O ATOM 1332 CB GLN A 89 6.082 -15.480 -2.031 1.00 0.00 C ATOM 1333 CG GLN A 89 6.252 -15.793 -0.548 1.00 0.00 C ATOM 1334 CD GLN A 89 7.114 -17.013 -0.298 1.00 0.00 C ATOM 1335 OE1 GLN A 89 7.990 -17.350 -1.094 1.00 0.00 O ATOM 1336 NE2 GLN A 89 6.871 -17.691 0.812 1.00 0.00 N ATOM 0 H GLN A 89 8.725 -14.210 -1.436 1.00 0.00 H new ATOM 0 HA GLN A 89 6.806 -14.239 -3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.037 -15.235 -2.219 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.307 -16.378 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.696 -14.932 -0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.271 -15.950 -0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.136 -17.381 1.448 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.418 -18.523 1.031 1.00 0.00 H new ATOM 1345 N PRO A 90 6.004 -12.031 -2.619 1.00 0.00 N ATOM 1346 CA PRO A 90 5.493 -10.805 -2.000 1.00 0.00 C ATOM 1347 C PRO A 90 4.299 -11.077 -1.112 1.00 0.00 C ATOM 1348 O PRO A 90 3.593 -12.071 -1.280 1.00 0.00 O ATOM 1349 CB PRO A 90 5.079 -9.914 -3.163 1.00 0.00 C ATOM 1350 CG PRO A 90 4.929 -10.828 -4.337 1.00 0.00 C ATOM 1351 CD PRO A 90 5.850 -12.019 -4.090 1.00 0.00 C ATOM 0 HA PRO A 90 6.250 -10.347 -1.363 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.144 -9.397 -2.947 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.830 -9.148 -3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.895 -11.155 -4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.198 -10.317 -5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.413 -12.948 -4.456 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.809 -11.897 -4.594 1.00 0.00 H new ATOM 1359 N LYS A 91 4.070 -10.184 -0.171 1.00 0.00 N ATOM 1360 CA LYS A 91 3.002 -10.375 0.788 1.00 0.00 C ATOM 1361 C LYS A 91 1.879 -9.376 0.542 1.00 0.00 C ATOM 1362 O LYS A 91 2.111 -8.266 0.055 1.00 0.00 O ATOM 1363 CB LYS A 91 3.513 -10.231 2.230 1.00 0.00 C ATOM 1364 CG LYS A 91 4.714 -11.114 2.585 1.00 0.00 C ATOM 1365 CD LYS A 91 4.538 -12.553 2.105 1.00 0.00 C ATOM 1366 CE LYS A 91 5.253 -13.564 3.005 1.00 0.00 C ATOM 1367 NZ LYS A 91 4.867 -13.424 4.434 1.00 0.00 N ATOM 0 H LYS A 91 4.605 -9.324 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 91 2.620 -11.387 0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.785 -9.189 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.696 -10.463 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.616 -10.693 2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.859 -11.109 3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.475 -12.793 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.921 -12.643 1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.022 -14.574 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.331 -13.434 2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.996 -14.335 4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.465 -12.703 4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.870 -13.136 4.498 1.00 0.00 H new ATOM 1381 N ILE A 92 0.672 -9.790 0.878 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.481 -8.907 0.811 1.00 0.00 C ATOM 1383 C ILE A 92 -0.955 -8.548 2.210 1.00 0.00 C ATOM 1384 O ILE A 92 -1.125 -9.414 3.071 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.658 -9.475 -0.048 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.678 -8.824 -1.436 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.006 -9.263 0.618 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.354 -7.352 -1.410 1.00 0.00 C ATOM 0 H ILE A 92 0.462 -10.734 1.201 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.148 -8.005 0.298 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.487 -10.547 -0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.962 -9.335 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.663 -8.964 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.793 -9.673 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.018 -9.767 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.176 -8.196 0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.386 -6.955 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.085 -6.829 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.357 -7.206 -0.994 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.140 -7.258 2.431 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.677 -6.759 3.677 1.00 0.00 C ATOM 1402 C VAL A 93 -3.017 -6.118 3.391 1.00 0.00 C ATOM 1403 O VAL A 93 -3.113 -5.210 2.572 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.736 -5.735 4.354 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.437 -4.550 3.454 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.313 -5.261 5.678 1.00 0.00 C ATOM 0 H VAL A 93 -0.921 -6.531 1.750 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.783 -7.595 4.369 1.00 0.00 H new ATOM 0 HB VAL A 93 0.207 -6.248 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.227 -3.858 3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.044 -4.899 2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.367 -4.040 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.633 -4.542 6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.279 -4.787 5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.441 -6.113 6.345 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.055 -6.597 4.030 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.379 -6.112 3.737 1.00 0.00 C ATOM 1418 C LYS A 94 -5.849 -5.200 4.853 1.00 0.00 C ATOM 1419 O LYS A 94 -5.389 -5.312 5.994 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.325 -7.288 3.540 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.836 -8.252 2.481 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.456 -9.622 2.658 1.00 0.00 C ATOM 1423 CE LYS A 94 -5.921 -10.332 3.894 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.309 -11.766 3.920 1.00 0.00 N ATOM 0 H LYS A 94 -4.009 -7.317 4.751 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.365 -5.533 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.441 -7.819 4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.310 -6.915 3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.081 -7.864 1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.750 -8.332 2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.539 -9.523 2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.254 -10.229 1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.834 -10.249 3.918 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.299 -9.837 4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.926 -12.214 4.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.346 -11.845 3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.927 -12.244 3.079 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.722 -4.276 4.519 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.218 -3.328 5.496 1.00 0.00 C ATOM 1440 C TRP A 95 -8.464 -3.886 6.180 1.00 0.00 C ATOM 1441 O TRP A 95 -9.417 -4.312 5.519 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.486 -1.967 4.826 1.00 0.00 C ATOM 1443 CG TRP A 95 -8.016 -0.907 5.752 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.492 -0.508 6.957 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.175 -0.088 5.532 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.262 0.477 7.503 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.302 0.756 6.657 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.122 0.012 4.498 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.333 1.675 6.784 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.143 0.931 4.622 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.250 1.751 5.753 1.00 0.00 C ATOM 0 H TRP A 95 -7.104 -4.159 3.580 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.463 -3.169 6.266 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.559 -1.609 4.378 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.199 -2.111 4.014 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.599 -0.915 7.408 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.090 0.933 8.399 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.052 -0.618 3.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.416 2.307 7.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.874 1.020 3.832 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.065 2.456 5.820 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.433 -3.890 7.511 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.487 -4.484 8.325 1.00 0.00 C ATOM 1464 C ASP A 96 -10.805 -3.715 8.173 1.00 0.00 C ATOM 1465 O ASP A 96 -10.994 -2.649 8.761 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.047 -4.535 9.808 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.629 -3.185 10.359 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -7.533 -2.704 9.998 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -9.381 -2.616 11.179 1.00 0.00 O ATOM 0 H ASP A 96 -7.674 -3.480 8.055 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.659 -5.502 7.975 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.867 -4.926 10.409 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.216 -5.233 9.909 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.715 -4.268 7.371 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.034 -3.671 7.165 1.00 0.00 C ATOM 1476 C ARG A 97 -13.906 -4.592 6.312 1.00 0.00 C ATOM 1477 O ARG A 97 -15.111 -4.389 6.188 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.887 -2.278 6.513 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.720 -2.279 4.989 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.079 -2.243 4.262 1.00 0.00 C ATOM 1481 NE ARG A 97 -15.098 -1.543 5.044 1.00 0.00 N ATOM 1482 CZ ARG A 97 -16.409 -1.766 4.932 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.871 -2.644 4.046 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -17.255 -1.119 5.724 1.00 0.00 N ATOM 0 H ARG A 97 -11.561 -5.132 6.851 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.525 -3.545 8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.765 -1.683 6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.026 -1.778 6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.125 -1.417 4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.169 -3.169 4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -13.961 -1.751 3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.411 -3.262 4.062 1.00 0.00 H new ATOM 0 HE ARG A 97 -14.787 -0.841 5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.222 -3.153 3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.875 -2.809 3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -16.902 -0.455 6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -18.258 -1.285 5.643 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.287 -5.630 5.773 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.944 -6.537 4.832 1.00 0.00 C ATOM 1500 C ASP A 98 -13.137 -7.837 4.689 1.00 0.00 C ATOM 1501 O ASP A 98 -13.554 -8.776 4.014 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.097 -5.853 3.473 1.00 0.00 C ATOM 1503 CG ASP A 98 -14.846 -6.709 2.463 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -16.080 -6.853 2.603 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -14.205 -7.252 1.537 1.00 0.00 O ATOM 0 H ASP A 98 -12.316 -5.871 5.972 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.933 -6.788 5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.625 -4.908 3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.109 -5.614 3.078 1.00 0.00 H new ATOM 1510 N MET A 99 -11.992 -7.902 5.361 1.00 0.00 N ATOM 1511 CA MET A 99 -11.136 -9.085 5.291 1.00 0.00 C ATOM 1512 C MET A 99 -11.473 -10.038 6.429 1.00 0.00 C ATOM 1513 CB MET A 99 -9.647 -8.721 5.348 1.00 0.00 C ATOM 1514 CG MET A 99 -9.265 -7.883 6.568 1.00 0.00 C ATOM 1515 SD MET A 99 -7.483 -7.698 6.764 1.00 0.00 S ATOM 1516 CE MET A 99 -7.016 -9.376 7.180 1.00 0.00 C ATOM 0 H MET A 99 -11.635 -7.155 5.957 1.00 0.00 H new ATOM 0 HA MET A 99 -11.324 -9.569 4.333 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.058 -9.638 5.349 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.381 -8.173 4.444 1.00 0.00 H new ATOM 0 HG2 MET A 99 -9.720 -6.896 6.481 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.678 -8.347 7.464 1.00 0.00 H new ATOM 0 HE1 MET A 99 -5.945 -9.506 7.021 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.254 -9.571 8.226 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.564 -10.074 6.547 1.00 0.00 H new TER 1525 MET A 99