USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 666 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 69 SER OG : rot 113:sc= 0.306 USER MOD Set 1.2: A 71 THR OG1 : rot 29:sc= 0.391 USER MOD Set 2.1: A 45 MET CE :methyl 153:sc=-0.00972 (180deg=0) USER MOD Set 2.2: A 50 GLN :FLIP amide:sc= -0.229 F(o=-1.1,f=-0.37) USER MOD Set 2.3: A 80 MET CE :methyl -115:sc= -0.133 (180deg=-0.632) USER MOD Set 3.1: A 38 THR OG1 : rot -76:sc= 0.421 USER MOD Set 3.2: A 58 GLN : amide:sc= -0.39 X(o=0.031,f=-0.079) USER MOD Set 4.1: A 16 GLN :FLIP amide:sc= -0.503 F(o=-4.9,f=-4.3) USER MOD Set 4.2: A 81 MET CE :methyl -124:sc= -3.79! (180deg=-3.61!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.436 USER MOD Single : A 6 LYS NZ :NH3+ -148:sc= 0.0539 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 13 THR OG1 : rot 120:sc= -0.517 USER MOD Single : A 17 LYS NZ :NH3+ -127:sc= 0.0132 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -39:sc= -1.01! USER MOD Single : A 37 SER OG : rot 180:sc= -0.238 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc=-0.00686 (180deg=-0.178) USER MOD Single : A 47 MET CE :methyl -141:sc= -0.489 (180deg=-1.18) USER MOD Single : A 51 ASN : amide:sc= -0.248 K(o=-0.25,f=-0.91) USER MOD Single : A 53 THR OG1 : rot -175:sc= 0.111 USER MOD Single : A 60 MET CE :methyl 158:sc= 0 (180deg=-0.233) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.134) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.319 12.727 8.001 1.00 0.00 N ATOM 2 CA MET A 1 -7.347 12.107 8.949 1.00 0.00 C ATOM 3 C MET A 1 -6.428 11.149 8.188 1.00 0.00 C ATOM 4 O MET A 1 -5.215 11.357 8.125 1.00 0.00 O ATOM 5 CB MET A 1 -8.107 11.340 10.038 1.00 0.00 C ATOM 6 CG MET A 1 -8.439 12.286 11.196 1.00 0.00 C ATOM 7 SD MET A 1 -7.095 12.250 12.409 1.00 0.00 S ATOM 8 CE MET A 1 -7.958 13.139 13.731 1.00 0.00 C ATOM 0 H1 MET A 1 -8.943 13.378 8.520 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.802 13.253 7.268 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.891 11.982 7.554 1.00 0.00 H new ATOM 0 HA MET A 1 -6.746 12.889 9.414 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.023 10.917 9.627 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.504 10.506 10.398 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.579 13.300 10.822 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.376 11.988 11.666 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.301 13.233 14.595 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.239 14.132 13.379 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.854 12.588 14.015 1.00 0.00 H new ATOM 20 N ASN A 2 -7.023 10.100 7.610 1.00 0.00 N ATOM 21 CA ASN A 2 -6.251 9.109 6.852 1.00 0.00 C ATOM 22 C ASN A 2 -7.042 8.607 5.635 1.00 0.00 C ATOM 23 O ASN A 2 -6.885 7.461 5.207 1.00 0.00 O ATOM 24 CB ASN A 2 -5.883 7.919 7.751 1.00 0.00 C ATOM 25 CG ASN A 2 -7.134 7.384 8.447 1.00 0.00 C ATOM 26 OD1 ASN A 2 -7.506 7.862 9.520 1.00 0.00 O ATOM 27 ND2 ASN A 2 -7.812 6.413 7.897 1.00 0.00 N ATOM 0 H ASN A 2 -8.025 9.916 7.651 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.340 9.593 6.500 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.423 7.131 7.155 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -5.147 8.227 8.494 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.648 6.051 8.356 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.505 6.016 7.009 1.00 0.00 H new ATOM 34 N ASP A 3 -7.887 9.480 5.078 1.00 0.00 N ATOM 35 CA ASP A 3 -8.692 9.117 3.908 1.00 0.00 C ATOM 36 C ASP A 3 -8.179 9.834 2.653 1.00 0.00 C ATOM 37 O ASP A 3 -8.952 10.163 1.750 1.00 0.00 O ATOM 38 CB ASP A 3 -10.163 9.485 4.140 1.00 0.00 C ATOM 39 CG ASP A 3 -10.772 8.541 5.174 1.00 0.00 C ATOM 40 OD1 ASP A 3 -10.555 8.764 6.355 1.00 0.00 O ATOM 41 OD2 ASP A 3 -11.447 7.609 4.770 1.00 0.00 O ATOM 0 H ASP A 3 -8.031 10.432 5.414 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.607 8.040 3.760 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.240 10.516 4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.716 9.420 3.203 1.00 0.00 H new ATOM 46 N ILE A 4 -6.863 10.067 2.603 1.00 0.00 N ATOM 47 CA ILE A 4 -6.252 10.742 1.454 1.00 0.00 C ATOM 48 C ILE A 4 -5.957 9.745 0.330 1.00 0.00 C ATOM 49 O ILE A 4 -6.045 10.084 -0.852 1.00 0.00 O ATOM 50 CB ILE A 4 -4.952 11.461 1.859 1.00 0.00 C ATOM 51 CG1 ILE A 4 -3.938 10.453 2.420 1.00 0.00 C ATOM 52 CG2 ILE A 4 -5.262 12.517 2.924 1.00 0.00 C ATOM 53 CD1 ILE A 4 -2.979 10.017 1.310 1.00 0.00 C ATOM 0 H ILE A 4 -6.207 9.801 3.337 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.965 11.484 1.094 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.525 11.940 0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.379 10.903 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.459 9.586 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.342 13.026 3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.968 13.243 2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.697 12.034 3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.260 9.302 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.544 9.551 0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.448 10.888 0.925 1.00 0.00 H new ATOM 65 N TYR A 5 -5.618 8.510 0.713 1.00 0.00 N ATOM 66 CA TYR A 5 -5.322 7.457 -0.265 1.00 0.00 C ATOM 67 C TYR A 5 -6.580 7.118 -1.068 1.00 0.00 C ATOM 68 O TYR A 5 -6.513 6.839 -2.267 1.00 0.00 O ATOM 69 CB TYR A 5 -4.830 6.180 0.430 1.00 0.00 C ATOM 70 CG TYR A 5 -3.586 6.474 1.235 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.332 6.476 0.614 1.00 0.00 C ATOM 72 CD2 TYR A 5 -3.687 6.742 2.607 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.180 6.749 1.362 1.00 0.00 C ATOM 74 CE2 TYR A 5 -2.538 7.014 3.354 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.284 7.017 2.733 1.00 0.00 C ATOM 76 OH TYR A 5 -0.151 7.286 3.473 1.00 0.00 O ATOM 0 H TYR A 5 -5.542 8.216 1.687 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.540 7.830 -0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.610 5.788 1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.619 5.411 -0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.253 6.267 -0.443 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.654 6.738 3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.212 6.753 0.882 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.618 7.222 4.411 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.401 7.451 4.406 1.00 0.00 H new ATOM 86 N LYS A 6 -7.726 7.153 -0.381 1.00 0.00 N ATOM 87 CA LYS A 6 -9.013 6.851 -1.013 1.00 0.00 C ATOM 88 C LYS A 6 -9.590 8.092 -1.703 1.00 0.00 C ATOM 89 O LYS A 6 -10.330 7.977 -2.679 1.00 0.00 O ATOM 90 CB LYS A 6 -10.018 6.356 0.030 1.00 0.00 C ATOM 91 CG LYS A 6 -9.543 5.022 0.612 1.00 0.00 C ATOM 92 CD LYS A 6 -10.601 4.476 1.574 1.00 0.00 C ATOM 93 CE LYS A 6 -10.487 5.192 2.924 1.00 0.00 C ATOM 94 NZ LYS A 6 -11.491 4.631 3.875 1.00 0.00 N ATOM 0 H LYS A 6 -7.788 7.387 0.610 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.839 6.074 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.124 7.094 0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.001 6.235 -0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.363 4.307 -0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.597 5.158 1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.597 4.623 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.466 3.403 1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.482 5.071 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.652 6.262 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.806 5.377 4.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.308 4.268 3.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.059 3.856 4.418 1.00 0.00 H new ATOM 108 N ALA A 7 -9.252 9.277 -1.183 1.00 0.00 N ATOM 109 CA ALA A 7 -9.750 10.531 -1.754 1.00 0.00 C ATOM 110 C ALA A 7 -9.223 10.744 -3.177 1.00 0.00 C ATOM 111 O ALA A 7 -9.960 11.191 -4.056 1.00 0.00 O ATOM 112 CB ALA A 7 -9.324 11.721 -0.890 1.00 0.00 C ATOM 0 H ALA A 7 -8.641 9.393 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.837 10.463 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.703 12.644 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.729 11.605 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.236 11.763 -0.840 1.00 0.00 H new ATOM 118 N ALA A 8 -7.940 10.422 -3.392 1.00 0.00 N ATOM 119 CA ALA A 8 -7.327 10.590 -4.713 1.00 0.00 C ATOM 120 C ALA A 8 -7.893 9.579 -5.706 1.00 0.00 C ATOM 121 O ALA A 8 -8.228 9.930 -6.839 1.00 0.00 O ATOM 122 CB ALA A 8 -5.810 10.415 -4.631 1.00 0.00 C ATOM 0 H ALA A 8 -7.315 10.049 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.557 11.599 -5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.375 10.544 -5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.394 11.160 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.578 9.417 -4.260 1.00 0.00 H new ATOM 128 N VAL A 9 -8.005 8.323 -5.267 1.00 0.00 N ATOM 129 CA VAL A 9 -8.545 7.268 -6.124 1.00 0.00 C ATOM 130 C VAL A 9 -10.047 7.489 -6.375 1.00 0.00 C ATOM 131 O VAL A 9 -10.605 6.985 -7.351 1.00 0.00 O ATOM 132 CB VAL A 9 -8.309 5.891 -5.485 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.264 5.683 -4.307 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.528 4.790 -6.528 1.00 0.00 C ATOM 0 H VAL A 9 -7.732 8.015 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.027 7.304 -7.082 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.283 5.844 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.086 4.703 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.093 6.457 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.294 5.740 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.359 3.816 -6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.550 4.842 -6.903 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.831 4.928 -7.354 1.00 0.00 H new ATOM 144 N GLU A 10 -10.691 8.258 -5.487 1.00 0.00 N ATOM 145 CA GLU A 10 -12.117 8.553 -5.628 1.00 0.00 C ATOM 146 C GLU A 10 -12.350 9.709 -6.611 1.00 0.00 C ATOM 147 O GLU A 10 -13.441 9.839 -7.170 1.00 0.00 O ATOM 148 CB GLU A 10 -12.729 8.921 -4.273 1.00 0.00 C ATOM 149 CG GLU A 10 -13.397 7.685 -3.665 1.00 0.00 C ATOM 150 CD GLU A 10 -13.647 7.914 -2.178 1.00 0.00 C ATOM 151 OE1 GLU A 10 -14.591 8.617 -1.858 1.00 0.00 O ATOM 152 OE2 GLU A 10 -12.892 7.381 -1.382 1.00 0.00 O ATOM 0 H GLU A 10 -10.249 8.682 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.598 7.654 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.956 9.297 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.460 9.720 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.339 7.481 -4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.762 6.810 -3.806 1.00 0.00 H new ATOM 159 N GLN A 11 -11.325 10.552 -6.812 1.00 0.00 N ATOM 160 CA GLN A 11 -11.455 11.692 -7.727 1.00 0.00 C ATOM 161 C GLN A 11 -10.322 11.719 -8.765 1.00 0.00 C ATOM 162 O GLN A 11 -9.930 12.785 -9.246 1.00 0.00 O ATOM 163 CB GLN A 11 -11.465 13.012 -6.936 1.00 0.00 C ATOM 164 CG GLN A 11 -10.073 13.295 -6.353 1.00 0.00 C ATOM 165 CD GLN A 11 -10.198 14.178 -5.111 1.00 0.00 C ATOM 166 OE1 GLN A 11 -11.119 14.990 -5.005 1.00 0.00 O ATOM 167 NE2 GLN A 11 -9.313 14.071 -4.157 1.00 0.00 N ATOM 0 H GLN A 11 -10.414 10.467 -6.362 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.399 11.578 -8.260 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.767 13.832 -7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.199 12.956 -6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.580 12.358 -6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.450 13.788 -7.099 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.550 13.400 -4.242 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.385 14.659 -3.326 1.00 0.00 H new ATOM 176 N LEU A 12 -9.809 10.533 -9.115 1.00 0.00 N ATOM 177 CA LEU A 12 -8.727 10.438 -10.107 1.00 0.00 C ATOM 178 C LEU A 12 -9.233 10.831 -11.499 1.00 0.00 C ATOM 179 O LEU A 12 -10.425 11.084 -11.696 1.00 0.00 O ATOM 180 CB LEU A 12 -8.136 9.018 -10.175 1.00 0.00 C ATOM 181 CG LEU A 12 -9.086 7.861 -9.837 1.00 0.00 C ATOM 182 CD1 LEU A 12 -10.374 7.976 -10.657 1.00 0.00 C ATOM 183 CD2 LEU A 12 -8.399 6.531 -10.157 1.00 0.00 C ATOM 0 H LEU A 12 -10.118 9.639 -8.734 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.945 11.127 -9.788 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.749 8.858 -11.181 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.285 8.970 -9.495 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.335 7.905 -8.777 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.039 7.149 -10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.868 8.921 -10.428 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.133 7.940 -11.719 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.072 5.707 -9.918 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.147 6.498 -11.217 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.489 6.440 -9.564 1.00 0.00 H new ATOM 195 N THR A 13 -8.310 10.878 -12.462 1.00 0.00 N ATOM 196 CA THR A 13 -8.661 11.237 -13.835 1.00 0.00 C ATOM 197 C THR A 13 -8.592 10.015 -14.739 1.00 0.00 C ATOM 198 O THR A 13 -8.079 8.964 -14.350 1.00 0.00 O ATOM 199 CB THR A 13 -7.709 12.308 -14.389 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.508 12.336 -13.630 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.385 13.674 -14.333 1.00 0.00 C ATOM 0 H THR A 13 -7.321 10.673 -12.317 1.00 0.00 H new ATOM 0 HA THR A 13 -9.677 11.632 -13.818 1.00 0.00 H new ATOM 0 HB THR A 13 -7.467 12.066 -15.424 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.747 12.139 -14.215 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.707 14.432 -14.727 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.295 13.654 -14.933 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.636 13.914 -13.300 1.00 0.00 H new ATOM 209 N ASP A 14 -9.098 10.176 -15.961 1.00 0.00 N ATOM 210 CA ASP A 14 -9.071 9.089 -16.934 1.00 0.00 C ATOM 211 C ASP A 14 -7.635 8.848 -17.390 1.00 0.00 C ATOM 212 O ASP A 14 -7.241 7.715 -17.646 1.00 0.00 O ATOM 213 CB ASP A 14 -9.938 9.417 -18.157 1.00 0.00 C ATOM 214 CG ASP A 14 -11.405 9.503 -17.742 1.00 0.00 C ATOM 215 OD1 ASP A 14 -11.826 10.576 -17.340 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.087 8.495 -17.835 1.00 0.00 O ATOM 0 H ASP A 14 -9.527 11.039 -16.297 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.470 8.195 -16.455 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.619 10.362 -18.598 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.811 8.650 -18.921 1.00 0.00 H new ATOM 221 N GLU A 15 -6.854 9.931 -17.464 1.00 0.00 N ATOM 222 CA GLU A 15 -5.451 9.826 -17.870 1.00 0.00 C ATOM 223 C GLU A 15 -4.626 9.156 -16.768 1.00 0.00 C ATOM 224 O GLU A 15 -3.675 8.425 -17.049 1.00 0.00 O ATOM 225 CB GLU A 15 -4.867 11.212 -18.160 1.00 0.00 C ATOM 226 CG GLU A 15 -5.167 11.597 -19.612 1.00 0.00 C ATOM 227 CD GLU A 15 -4.256 12.745 -20.037 1.00 0.00 C ATOM 228 OE1 GLU A 15 -3.179 12.467 -20.537 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.651 13.886 -19.859 1.00 0.00 O ATOM 0 H GLU A 15 -7.166 10.879 -17.251 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.408 9.221 -18.776 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.296 11.949 -17.481 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.791 11.208 -17.988 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.015 10.738 -20.265 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.211 11.892 -19.712 1.00 0.00 H new ATOM 236 N GLN A 16 -5.010 9.409 -15.510 1.00 0.00 N ATOM 237 CA GLN A 16 -4.312 8.826 -14.364 1.00 0.00 C ATOM 238 C GLN A 16 -4.519 7.314 -14.314 1.00 0.00 C ATOM 239 O GLN A 16 -3.559 6.550 -14.203 1.00 0.00 O ATOM 240 CB GLN A 16 -4.828 9.439 -13.060 1.00 0.00 C ATOM 241 CG GLN A 16 -3.650 9.909 -12.206 1.00 0.00 C ATOM 242 CD GLN A 16 -4.174 10.636 -10.970 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.137 10.099 -10.267 1.00 0.00 O flip ATOM 244 NE2 GLN A 16 -3.697 11.718 -10.631 1.00 0.00 N flip ATOM 0 H GLN A 16 -5.796 10.011 -15.264 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.249 9.040 -14.478 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.488 10.278 -13.278 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.417 8.705 -12.511 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.040 9.056 -11.908 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.008 10.572 -12.786 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.946 12.138 -11.178 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.053 12.195 -9.803 1.00 0.00 H new ATOM 253 N LYS A 17 -5.784 6.890 -14.403 1.00 0.00 N ATOM 254 CA LYS A 17 -6.104 5.461 -14.370 1.00 0.00 C ATOM 255 C LYS A 17 -5.636 4.774 -15.657 1.00 0.00 C ATOM 256 O LYS A 17 -5.180 3.634 -15.624 1.00 0.00 O ATOM 257 CB LYS A 17 -7.611 5.234 -14.179 1.00 0.00 C ATOM 258 CG LYS A 17 -8.400 5.934 -15.289 1.00 0.00 C ATOM 259 CD LYS A 17 -9.850 6.131 -14.842 1.00 0.00 C ATOM 260 CE LYS A 17 -10.792 5.825 -16.009 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.198 6.121 -15.612 1.00 0.00 N ATOM 0 H LYS A 17 -6.591 7.506 -14.497 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.578 5.025 -13.521 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.828 4.166 -14.187 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.922 5.615 -13.206 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.946 6.898 -15.520 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.368 5.340 -16.202 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.074 5.477 -13.999 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.000 7.155 -14.499 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.516 6.423 -16.878 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.699 4.779 -16.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.793 5.288 -15.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.231 6.354 -14.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.552 6.928 -16.164 1.00 0.00 H new ATOM 275 N ASN A 18 -5.733 5.486 -16.787 1.00 0.00 N ATOM 276 CA ASN A 18 -5.297 4.930 -18.074 1.00 0.00 C ATOM 277 C ASN A 18 -3.796 4.636 -18.053 1.00 0.00 C ATOM 278 O ASN A 18 -3.336 3.675 -18.672 1.00 0.00 O ATOM 279 CB ASN A 18 -5.595 5.903 -19.220 1.00 0.00 C ATOM 280 CG ASN A 18 -7.013 5.669 -19.741 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.946 5.470 -18.961 1.00 0.00 O ATOM 282 ND2 ASN A 18 -7.234 5.683 -21.028 1.00 0.00 N ATOM 0 H ASN A 18 -6.104 6.435 -16.837 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.849 4.004 -18.235 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.490 6.931 -18.873 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.874 5.763 -20.025 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.177 5.529 -21.385 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.464 5.847 -21.676 1.00 0.00 H new ATOM 289 N GLU A 19 -3.039 5.472 -17.326 1.00 0.00 N ATOM 290 CA GLU A 19 -1.587 5.291 -17.218 1.00 0.00 C ATOM 291 C GLU A 19 -1.264 3.888 -16.698 1.00 0.00 C ATOM 292 O GLU A 19 -0.424 3.183 -17.259 1.00 0.00 O ATOM 293 CB GLU A 19 -0.988 6.329 -16.260 1.00 0.00 C ATOM 294 CG GLU A 19 0.536 6.182 -16.222 1.00 0.00 C ATOM 295 CD GLU A 19 1.149 7.392 -15.524 1.00 0.00 C ATOM 296 OE1 GLU A 19 1.444 8.360 -16.206 1.00 0.00 O ATOM 297 OE2 GLU A 19 1.315 7.333 -14.316 1.00 0.00 O ATOM 0 H GLU A 19 -3.405 6.272 -16.810 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.155 5.421 -18.210 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.257 7.334 -16.584 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.400 6.195 -15.260 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.810 5.268 -15.695 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.929 6.096 -17.235 1.00 0.00 H new ATOM 304 N PHE A 20 -1.948 3.496 -15.620 1.00 0.00 N ATOM 305 CA PHE A 20 -1.740 2.178 -15.023 1.00 0.00 C ATOM 306 C PHE A 20 -2.496 1.104 -15.804 1.00 0.00 C ATOM 307 O PHE A 20 -1.952 0.043 -16.099 1.00 0.00 O ATOM 308 CB PHE A 20 -2.236 2.162 -13.578 1.00 0.00 C ATOM 309 CG PHE A 20 -1.231 2.837 -12.677 1.00 0.00 C ATOM 310 CD1 PHE A 20 -0.157 2.104 -12.161 1.00 0.00 C ATOM 311 CD2 PHE A 20 -1.381 4.189 -12.345 1.00 0.00 C ATOM 312 CE1 PHE A 20 0.767 2.721 -11.313 1.00 0.00 C ATOM 313 CE2 PHE A 20 -0.458 4.808 -11.497 1.00 0.00 C ATOM 314 CZ PHE A 20 0.618 4.073 -10.978 1.00 0.00 C ATOM 0 H PHE A 20 -2.646 4.070 -15.147 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.671 1.969 -15.052 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.197 2.672 -13.510 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.396 1.134 -13.252 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.042 1.061 -12.418 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.210 4.754 -12.744 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.597 2.155 -10.916 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.573 5.851 -11.242 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.331 4.549 -10.321 1.00 0.00 H new ATOM 324 N LYS A 21 -3.764 1.394 -16.117 1.00 0.00 N ATOM 325 CA LYS A 21 -4.618 0.452 -16.852 1.00 0.00 C ATOM 326 C LYS A 21 -3.941 -0.048 -18.132 1.00 0.00 C ATOM 327 O LYS A 21 -4.126 -1.199 -18.525 1.00 0.00 O ATOM 328 CB LYS A 21 -5.954 1.110 -17.209 1.00 0.00 C ATOM 329 CG LYS A 21 -6.899 0.072 -17.824 1.00 0.00 C ATOM 330 CD LYS A 21 -7.056 0.342 -19.325 1.00 0.00 C ATOM 331 CE LYS A 21 -8.368 1.090 -19.578 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.160 2.552 -19.369 1.00 0.00 N ATOM 0 H LYS A 21 -4.222 2.272 -15.873 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.792 -0.403 -16.199 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.406 1.543 -16.317 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.791 1.927 -17.912 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.506 -0.932 -17.664 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.871 0.115 -17.333 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.214 0.931 -19.689 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.049 -0.598 -19.877 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.714 0.904 -20.595 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.143 0.723 -18.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.052 3.058 -19.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.849 2.722 -18.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.434 2.897 -20.028 1.00 0.00 H new ATOM 346 N ALA A 22 -3.150 0.820 -18.773 1.00 0.00 N ATOM 347 CA ALA A 22 -2.446 0.439 -20.002 1.00 0.00 C ATOM 348 C ALA A 22 -1.548 -0.768 -19.734 1.00 0.00 C ATOM 349 O ALA A 22 -1.661 -1.803 -20.395 1.00 0.00 O ATOM 350 CB ALA A 22 -1.583 1.595 -20.510 1.00 0.00 C ATOM 0 H ALA A 22 -2.983 1.778 -18.466 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.191 0.189 -20.757 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.069 1.292 -21.422 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.216 2.457 -20.719 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.848 1.861 -19.751 1.00 0.00 H new ATOM 356 N ALA A 23 -0.674 -0.623 -18.734 1.00 0.00 N ATOM 357 CA ALA A 23 0.230 -1.704 -18.347 1.00 0.00 C ATOM 358 C ALA A 23 -0.572 -2.859 -17.750 1.00 0.00 C ATOM 359 O ALA A 23 -0.283 -4.029 -17.993 1.00 0.00 O ATOM 360 CB ALA A 23 1.243 -1.211 -17.305 1.00 0.00 C ATOM 0 H ALA A 23 -0.575 0.229 -18.182 1.00 0.00 H new ATOM 0 HA ALA A 23 0.764 -2.041 -19.236 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.908 -2.029 -17.029 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.829 -0.394 -17.725 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.713 -0.860 -16.420 1.00 0.00 H new ATOM 366 N PHE A 24 -1.590 -2.504 -16.967 1.00 0.00 N ATOM 367 CA PHE A 24 -2.450 -3.499 -16.328 1.00 0.00 C ATOM 368 C PHE A 24 -3.106 -4.413 -17.369 1.00 0.00 C ATOM 369 O PHE A 24 -3.199 -5.622 -17.168 1.00 0.00 O ATOM 370 CB PHE A 24 -3.548 -2.798 -15.516 1.00 0.00 C ATOM 371 CG PHE A 24 -4.139 -3.753 -14.504 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.031 -4.751 -14.917 1.00 0.00 C ATOM 373 CD2 PHE A 24 -3.796 -3.642 -13.153 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.575 -5.634 -13.981 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.340 -4.524 -12.218 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.230 -5.520 -12.631 1.00 0.00 C ATOM 0 H PHE A 24 -1.839 -1.537 -16.760 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.828 -4.105 -15.670 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.134 -1.927 -15.007 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.329 -2.435 -16.184 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.298 -4.838 -15.960 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.109 -2.873 -12.833 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.262 -6.404 -14.300 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.073 -4.437 -11.175 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.651 -6.202 -11.907 1.00 0.00 H new ATOM 386 N ASP A 25 -3.568 -3.816 -18.470 1.00 0.00 N ATOM 387 CA ASP A 25 -4.236 -4.576 -19.534 1.00 0.00 C ATOM 388 C ASP A 25 -3.284 -5.558 -20.221 1.00 0.00 C ATOM 389 O ASP A 25 -3.631 -6.720 -20.436 1.00 0.00 O ATOM 390 CB ASP A 25 -4.801 -3.622 -20.593 1.00 0.00 C ATOM 391 CG ASP A 25 -5.919 -4.316 -21.365 1.00 0.00 C ATOM 392 OD1 ASP A 25 -5.616 -4.955 -22.360 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.060 -4.199 -20.949 1.00 0.00 O ATOM 0 H ASP A 25 -3.494 -2.815 -18.650 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.040 -5.141 -19.063 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.181 -2.718 -20.117 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.011 -3.313 -21.277 1.00 0.00 H new ATOM 398 N ILE A 26 -2.092 -5.075 -20.581 1.00 0.00 N ATOM 399 CA ILE A 26 -1.108 -5.922 -21.270 1.00 0.00 C ATOM 400 C ILE A 26 -0.575 -7.026 -20.352 1.00 0.00 C ATOM 401 O ILE A 26 -0.322 -8.145 -20.800 1.00 0.00 O ATOM 402 CB ILE A 26 0.069 -5.085 -21.799 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.713 -4.295 -20.651 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.442 -4.111 -22.866 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.959 -3.563 -21.151 1.00 0.00 C ATOM 0 H ILE A 26 -1.785 -4.117 -20.411 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.623 -6.386 -22.111 1.00 0.00 H new ATOM 0 HB ILE A 26 0.815 -5.751 -22.233 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.002 -3.578 -20.247 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.980 -4.971 -19.839 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.389 -3.516 -23.243 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.889 -4.672 -23.687 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.191 -3.451 -22.428 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.408 -3.006 -20.329 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.678 -4.288 -21.534 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.681 -2.873 -21.948 1.00 0.00 H new ATOM 417 N PHE A 27 -0.403 -6.702 -19.067 1.00 0.00 N ATOM 418 CA PHE A 27 0.105 -7.681 -18.100 1.00 0.00 C ATOM 419 C PHE A 27 -0.993 -8.656 -17.663 1.00 0.00 C ATOM 420 O PHE A 27 -0.712 -9.818 -17.363 1.00 0.00 O ATOM 421 CB PHE A 27 0.685 -6.973 -16.869 1.00 0.00 C ATOM 422 CG PHE A 27 1.917 -6.192 -17.274 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.893 -6.792 -18.081 1.00 0.00 C ATOM 424 CD2 PHE A 27 2.078 -4.867 -16.854 1.00 0.00 C ATOM 425 CE1 PHE A 27 4.025 -6.066 -18.468 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.212 -4.143 -17.240 1.00 0.00 C ATOM 427 CZ PHE A 27 4.184 -4.743 -18.047 1.00 0.00 C ATOM 0 H PHE A 27 -0.605 -5.782 -18.675 1.00 0.00 H new ATOM 0 HA PHE A 27 0.894 -8.248 -18.594 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.058 -6.303 -16.437 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.940 -7.704 -16.102 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.771 -7.815 -18.404 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.327 -4.403 -16.232 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.776 -6.528 -19.092 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.336 -3.121 -16.915 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.058 -4.183 -18.345 1.00 0.00 H new ATOM 437 N ILE A 28 -2.245 -8.181 -17.645 1.00 0.00 N ATOM 438 CA ILE A 28 -3.374 -9.030 -17.260 1.00 0.00 C ATOM 439 C ILE A 28 -4.145 -9.472 -18.522 1.00 0.00 C ATOM 440 O ILE A 28 -5.373 -9.562 -18.545 1.00 0.00 O ATOM 441 CB ILE A 28 -4.271 -8.273 -16.251 1.00 0.00 C ATOM 442 CG1 ILE A 28 -4.889 -9.265 -15.252 1.00 0.00 C ATOM 443 CG2 ILE A 28 -5.374 -7.466 -16.953 1.00 0.00 C ATOM 444 CD1 ILE A 28 -5.970 -10.112 -15.927 1.00 0.00 C ATOM 0 H ILE A 28 -2.498 -7.224 -17.890 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.018 -9.934 -16.765 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.641 -7.563 -15.716 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.112 -9.914 -14.848 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.319 -8.721 -14.411 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.979 -6.951 -16.207 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.920 -6.733 -17.620 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.006 -8.140 -17.531 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.394 -10.807 -15.202 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.757 -9.461 -16.308 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.531 -10.672 -16.752 1.00 0.00 H new ATOM 456 N GLN A 29 -3.379 -9.761 -19.579 1.00 0.00 N ATOM 457 CA GLN A 29 -3.953 -10.201 -20.849 1.00 0.00 C ATOM 458 C GLN A 29 -4.301 -11.690 -20.790 1.00 0.00 C ATOM 459 O GLN A 29 -5.421 -12.090 -21.113 1.00 0.00 O ATOM 460 CB GLN A 29 -2.953 -9.962 -21.986 1.00 0.00 C ATOM 461 CG GLN A 29 -3.615 -10.256 -23.333 1.00 0.00 C ATOM 462 CD GLN A 29 -2.755 -9.685 -24.456 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.047 -10.423 -25.141 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.774 -8.399 -24.687 1.00 0.00 N ATOM 0 H GLN A 29 -2.361 -9.697 -19.578 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.862 -9.628 -21.033 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.601 -8.931 -21.961 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.079 -10.600 -21.854 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.736 -11.331 -23.464 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.612 -9.817 -23.364 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.361 -7.787 -24.119 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.202 -8.007 -25.435 1.00 0.00 H new ATOM 473 N ASP A 30 -3.323 -12.502 -20.380 1.00 0.00 N ATOM 474 CA ASP A 30 -3.524 -13.952 -20.283 1.00 0.00 C ATOM 475 C ASP A 30 -4.143 -14.358 -18.934 1.00 0.00 C ATOM 476 O ASP A 30 -4.400 -15.542 -18.702 1.00 0.00 O ATOM 477 CB ASP A 30 -2.186 -14.682 -20.456 1.00 0.00 C ATOM 478 CG ASP A 30 -1.725 -14.575 -21.910 1.00 0.00 C ATOM 479 OD1 ASP A 30 -1.195 -13.536 -22.270 1.00 0.00 O ATOM 480 OD2 ASP A 30 -1.907 -15.536 -22.639 1.00 0.00 O ATOM 0 H ASP A 30 -2.391 -12.185 -20.112 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.215 -14.235 -21.077 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.436 -14.249 -19.794 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.293 -15.730 -20.174 1.00 0.00 H new ATOM 485 N ALA A 31 -4.397 -13.378 -18.053 1.00 0.00 N ATOM 486 CA ALA A 31 -4.997 -13.674 -16.752 1.00 0.00 C ATOM 487 C ALA A 31 -6.499 -13.392 -16.787 1.00 0.00 C ATOM 488 O ALA A 31 -6.973 -12.567 -17.570 1.00 0.00 O ATOM 489 CB ALA A 31 -4.351 -12.825 -15.652 1.00 0.00 C ATOM 0 H ALA A 31 -4.199 -12.391 -18.217 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.828 -14.729 -16.534 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.812 -13.061 -14.693 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.284 -13.041 -15.605 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.497 -11.768 -15.875 1.00 0.00 H new ATOM 495 N GLU A 32 -7.238 -14.090 -15.923 1.00 0.00 N ATOM 496 CA GLU A 32 -8.694 -13.916 -15.851 1.00 0.00 C ATOM 497 C GLU A 32 -9.142 -13.675 -14.403 1.00 0.00 C ATOM 498 O GLU A 32 -10.207 -14.132 -13.981 1.00 0.00 O ATOM 499 CB GLU A 32 -9.417 -15.149 -16.414 1.00 0.00 C ATOM 500 CG GLU A 32 -8.993 -16.409 -15.647 1.00 0.00 C ATOM 501 CD GLU A 32 -9.494 -17.647 -16.385 1.00 0.00 C ATOM 502 OE1 GLU A 32 -8.779 -18.127 -17.251 1.00 0.00 O ATOM 503 OE2 GLU A 32 -10.584 -18.100 -16.074 1.00 0.00 O ATOM 0 H GLU A 32 -6.860 -14.775 -15.269 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.955 -13.045 -16.453 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.496 -15.014 -16.337 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.185 -15.264 -17.473 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.908 -16.443 -15.554 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.399 -16.386 -14.636 1.00 0.00 H new ATOM 510 N ASP A 33 -8.315 -12.943 -13.652 1.00 0.00 N ATOM 511 CA ASP A 33 -8.626 -12.635 -12.254 1.00 0.00 C ATOM 512 C ASP A 33 -8.781 -11.126 -12.053 1.00 0.00 C ATOM 513 O ASP A 33 -9.673 -10.675 -11.331 1.00 0.00 O ATOM 514 CB ASP A 33 -7.517 -13.153 -11.333 1.00 0.00 C ATOM 515 CG ASP A 33 -7.623 -14.671 -11.212 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.170 -15.352 -12.120 1.00 0.00 O ATOM 517 OD2 ASP A 33 -8.156 -15.131 -10.217 1.00 0.00 O ATOM 0 H ASP A 33 -7.432 -12.555 -13.985 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.566 -13.128 -12.004 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.541 -12.877 -11.731 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.602 -12.692 -10.349 1.00 0.00 H new ATOM 522 N GLY A 34 -7.902 -10.353 -12.699 1.00 0.00 N ATOM 523 CA GLY A 34 -7.942 -8.893 -12.588 1.00 0.00 C ATOM 524 C GLY A 34 -6.835 -8.385 -11.667 1.00 0.00 C ATOM 525 O GLY A 34 -7.053 -7.482 -10.857 1.00 0.00 O ATOM 0 H GLY A 34 -7.160 -10.711 -13.300 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.832 -8.446 -13.576 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.913 -8.580 -12.203 1.00 0.00 H new ATOM 529 N CYS A 35 -5.644 -8.980 -11.804 1.00 0.00 N ATOM 530 CA CYS A 35 -4.492 -8.591 -10.986 1.00 0.00 C ATOM 531 C CYS A 35 -3.195 -8.872 -11.743 1.00 0.00 C ATOM 532 O CYS A 35 -3.060 -9.904 -12.407 1.00 0.00 O ATOM 533 CB CYS A 35 -4.455 -9.372 -9.662 1.00 0.00 C ATOM 534 SG CYS A 35 -6.135 -9.650 -9.039 1.00 0.00 S ATOM 0 H CYS A 35 -5.454 -9.729 -12.470 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.589 -7.527 -10.772 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.954 -10.328 -9.811 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.874 -8.819 -8.924 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.859 -8.593 -9.257 1.00 0.00 H new ATOM 540 N ILE A 36 -2.236 -7.950 -11.632 1.00 0.00 N ATOM 541 CA ILE A 36 -0.946 -8.122 -12.306 1.00 0.00 C ATOM 542 C ILE A 36 0.031 -8.868 -11.392 1.00 0.00 C ATOM 543 O ILE A 36 -0.293 -9.187 -10.246 1.00 0.00 O ATOM 544 CB ILE A 36 -0.343 -6.765 -12.719 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.126 -5.987 -11.479 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.395 -5.940 -13.466 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.657 -6.022 -11.403 1.00 0.00 C ATOM 0 H ILE A 36 -2.324 -7.090 -11.091 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.117 -8.707 -13.210 1.00 0.00 H new ATOM 0 HB ILE A 36 0.513 -6.947 -13.369 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.223 -4.956 -11.530 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.304 -6.425 -10.578 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.966 -4.981 -13.757 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.715 -6.480 -14.357 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.254 -5.771 -12.816 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.990 -5.470 -10.524 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.994 -7.056 -11.332 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.076 -5.564 -12.299 1.00 0.00 H new ATOM 559 N SER A 37 1.228 -9.144 -11.910 1.00 0.00 N ATOM 560 CA SER A 37 2.241 -9.855 -11.131 1.00 0.00 C ATOM 561 C SER A 37 3.142 -8.866 -10.393 1.00 0.00 C ATOM 562 O SER A 37 3.935 -8.153 -11.011 1.00 0.00 O ATOM 563 CB SER A 37 3.099 -10.740 -12.039 1.00 0.00 C ATOM 564 OG SER A 37 3.495 -11.903 -11.323 1.00 0.00 O ATOM 0 H SER A 37 1.518 -8.890 -12.854 1.00 0.00 H new ATOM 0 HA SER A 37 1.724 -10.482 -10.405 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.536 -11.021 -12.929 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.977 -10.190 -12.377 1.00 0.00 H new ATOM 0 HG SER A 37 4.043 -12.473 -11.902 1.00 0.00 H new ATOM 570 N THR A 38 3.009 -8.834 -9.063 1.00 0.00 N ATOM 571 CA THR A 38 3.820 -7.932 -8.234 1.00 0.00 C ATOM 572 C THR A 38 5.311 -8.148 -8.508 1.00 0.00 C ATOM 573 O THR A 38 6.081 -7.193 -8.607 1.00 0.00 O ATOM 574 CB THR A 38 3.550 -8.159 -6.737 1.00 0.00 C ATOM 575 OG1 THR A 38 3.899 -9.491 -6.376 1.00 0.00 O ATOM 576 CG2 THR A 38 2.071 -7.911 -6.433 1.00 0.00 C ATOM 0 H THR A 38 2.354 -9.416 -8.540 1.00 0.00 H new ATOM 0 HA THR A 38 3.542 -6.911 -8.494 1.00 0.00 H new ATOM 0 HB THR A 38 4.157 -7.463 -6.158 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.207 -10.108 -6.694 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.886 -8.073 -5.371 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.813 -6.885 -6.694 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.459 -8.598 -7.017 1.00 0.00 H new ATOM 584 N LYS A 39 5.705 -9.420 -8.643 1.00 0.00 N ATOM 585 CA LYS A 39 7.104 -9.756 -8.923 1.00 0.00 C ATOM 586 C LYS A 39 7.545 -9.170 -10.271 1.00 0.00 C ATOM 587 O LYS A 39 8.726 -8.877 -10.472 1.00 0.00 O ATOM 588 CB LYS A 39 7.304 -11.280 -8.942 1.00 0.00 C ATOM 589 CG LYS A 39 6.475 -11.906 -10.071 1.00 0.00 C ATOM 590 CD LYS A 39 6.128 -13.354 -9.716 1.00 0.00 C ATOM 591 CE LYS A 39 7.189 -14.294 -10.297 1.00 0.00 C ATOM 592 NZ LYS A 39 6.575 -15.622 -10.587 1.00 0.00 N ATOM 0 H LYS A 39 5.082 -10.224 -8.564 1.00 0.00 H new ATOM 0 HA LYS A 39 7.713 -9.324 -8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.359 -11.514 -9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.007 -11.706 -7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.562 -11.331 -10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.034 -11.875 -11.006 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.077 -13.471 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.145 -13.610 -10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.607 -13.868 -11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.013 -14.409 -9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.296 -16.259 -10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.197 -16.029 -9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.803 -15.505 -11.274 1.00 0.00 H new ATOM 606 N GLU A 40 6.582 -8.993 -11.186 1.00 0.00 N ATOM 607 CA GLU A 40 6.877 -8.431 -12.505 1.00 0.00 C ATOM 608 C GLU A 40 6.407 -6.974 -12.596 1.00 0.00 C ATOM 609 O GLU A 40 6.179 -6.454 -13.691 1.00 0.00 O ATOM 610 CB GLU A 40 6.181 -9.242 -13.601 1.00 0.00 C ATOM 611 CG GLU A 40 6.605 -10.711 -13.511 1.00 0.00 C ATOM 612 CD GLU A 40 6.136 -11.454 -14.758 1.00 0.00 C ATOM 613 OE1 GLU A 40 6.834 -11.394 -15.757 1.00 0.00 O ATOM 614 OE2 GLU A 40 5.086 -12.071 -14.695 1.00 0.00 O ATOM 0 H GLU A 40 5.601 -9.229 -11.036 1.00 0.00 H new ATOM 0 HA GLU A 40 7.957 -8.472 -12.646 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.099 -9.159 -13.495 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.437 -8.840 -14.581 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.689 -10.783 -13.418 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.178 -11.170 -12.619 1.00 0.00 H new ATOM 621 N LEU A 41 6.269 -6.313 -11.436 1.00 0.00 N ATOM 622 CA LEU A 41 5.832 -4.915 -11.413 1.00 0.00 C ATOM 623 C LEU A 41 6.850 -4.016 -12.122 1.00 0.00 C ATOM 624 O LEU A 41 6.489 -2.970 -12.660 1.00 0.00 O ATOM 625 CB LEU A 41 5.639 -4.421 -9.979 1.00 0.00 C ATOM 626 CG LEU A 41 4.809 -3.140 -9.847 1.00 0.00 C ATOM 627 CD1 LEU A 41 4.016 -3.173 -8.540 1.00 0.00 C ATOM 628 CD2 LEU A 41 5.739 -1.924 -9.848 1.00 0.00 C ATOM 0 H LEU A 41 6.451 -6.719 -10.518 1.00 0.00 H new ATOM 0 HA LEU A 41 4.878 -4.864 -11.937 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.159 -5.210 -9.400 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.619 -4.250 -9.534 1.00 0.00 H new ATOM 0 HG LEU A 41 4.119 -3.071 -10.688 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.427 -2.261 -8.449 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.351 -4.036 -8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.705 -3.246 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.147 -1.013 -9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.432 -1.995 -9.009 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.301 -1.897 -10.781 1.00 0.00 H new ATOM 640 N GLY A 42 8.121 -4.440 -12.135 1.00 0.00 N ATOM 641 CA GLY A 42 9.172 -3.666 -12.805 1.00 0.00 C ATOM 642 C GLY A 42 8.806 -3.419 -14.272 1.00 0.00 C ATOM 643 O GLY A 42 9.163 -2.390 -14.847 1.00 0.00 O ATOM 0 H GLY A 42 8.442 -5.303 -11.696 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.312 -2.713 -12.294 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.120 -4.202 -12.746 1.00 0.00 H new ATOM 647 N LYS A 43 8.070 -4.374 -14.860 1.00 0.00 N ATOM 648 CA LYS A 43 7.631 -4.260 -16.256 1.00 0.00 C ATOM 649 C LYS A 43 6.621 -3.115 -16.421 1.00 0.00 C ATOM 650 O LYS A 43 6.473 -2.561 -17.511 1.00 0.00 O ATOM 651 CB LYS A 43 6.984 -5.569 -16.727 1.00 0.00 C ATOM 652 CG LYS A 43 7.979 -6.723 -16.569 1.00 0.00 C ATOM 653 CD LYS A 43 7.350 -8.022 -17.083 1.00 0.00 C ATOM 654 CE LYS A 43 7.537 -8.122 -18.601 1.00 0.00 C ATOM 655 NZ LYS A 43 8.949 -8.491 -18.914 1.00 0.00 N ATOM 0 H LYS A 43 7.768 -5.229 -14.392 1.00 0.00 H new ATOM 0 HA LYS A 43 8.512 -4.051 -16.862 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.084 -5.770 -16.146 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.678 -5.480 -17.769 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.893 -6.506 -17.122 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.259 -6.833 -15.521 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.811 -8.879 -16.593 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.289 -8.046 -16.835 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.857 -8.868 -19.012 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.288 -7.171 -19.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.003 -8.868 -19.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.553 -7.648 -18.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.276 -9.215 -18.242 1.00 0.00 H new ATOM 669 N VAL A 44 5.939 -2.757 -15.325 1.00 0.00 N ATOM 670 CA VAL A 44 4.965 -1.662 -15.361 1.00 0.00 C ATOM 671 C VAL A 44 5.664 -0.348 -15.003 1.00 0.00 C ATOM 672 O VAL A 44 5.325 0.710 -15.533 1.00 0.00 O ATOM 673 CB VAL A 44 3.771 -1.914 -14.401 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.565 -3.419 -14.185 1.00 0.00 C ATOM 675 CG2 VAL A 44 4.009 -1.248 -13.037 1.00 0.00 C ATOM 0 H VAL A 44 6.043 -3.204 -14.414 1.00 0.00 H new ATOM 0 HA VAL A 44 4.559 -1.603 -16.371 1.00 0.00 H new ATOM 0 HB VAL A 44 2.883 -1.481 -14.862 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.724 -3.578 -13.510 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.358 -3.899 -15.142 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.466 -3.851 -13.750 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.157 -1.441 -12.385 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.912 -1.657 -12.585 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.126 -0.173 -13.173 1.00 0.00 H new ATOM 685 N MET A 45 6.656 -0.438 -14.105 1.00 0.00 N ATOM 686 CA MET A 45 7.415 0.740 -13.689 1.00 0.00 C ATOM 687 C MET A 45 8.139 1.347 -14.886 1.00 0.00 C ATOM 688 O MET A 45 8.158 2.563 -15.053 1.00 0.00 O ATOM 689 CB MET A 45 8.448 0.370 -12.620 1.00 0.00 C ATOM 690 CG MET A 45 7.761 0.251 -11.258 1.00 0.00 C ATOM 691 SD MET A 45 8.490 1.439 -10.103 1.00 0.00 S ATOM 692 CE MET A 45 7.026 1.683 -9.070 1.00 0.00 C ATOM 0 H MET A 45 6.946 -1.308 -13.659 1.00 0.00 H new ATOM 0 HA MET A 45 6.713 1.464 -13.275 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.931 -0.573 -12.878 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.230 1.128 -12.579 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.692 0.438 -11.361 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.871 -0.762 -10.871 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.334 1.971 -8.065 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.405 2.470 -9.499 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.455 0.756 -9.023 1.00 0.00 H new ATOM 702 N ARG A 46 8.728 0.479 -15.720 1.00 0.00 N ATOM 703 CA ARG A 46 9.448 0.943 -16.914 1.00 0.00 C ATOM 704 C ARG A 46 8.514 1.735 -17.835 1.00 0.00 C ATOM 705 O ARG A 46 8.927 2.712 -18.463 1.00 0.00 O ATOM 706 CB ARG A 46 10.054 -0.237 -17.690 1.00 0.00 C ATOM 707 CG ARG A 46 8.962 -1.243 -18.064 1.00 0.00 C ATOM 708 CD ARG A 46 9.527 -2.279 -19.037 1.00 0.00 C ATOM 709 NE ARG A 46 8.459 -3.133 -19.565 1.00 0.00 N ATOM 710 CZ ARG A 46 8.661 -3.952 -20.606 1.00 0.00 C ATOM 711 NH1 ARG A 46 9.837 -4.023 -21.185 1.00 0.00 N ATOM 712 NH2 ARG A 46 7.676 -4.692 -21.046 1.00 0.00 N ATOM 0 H ARG A 46 8.721 -0.533 -15.593 1.00 0.00 H new ATOM 0 HA ARG A 46 10.256 1.592 -16.578 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.547 0.127 -18.591 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.817 -0.726 -17.084 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.588 -1.738 -17.168 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.117 -0.725 -18.519 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.035 -1.774 -19.859 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.272 -2.892 -18.530 1.00 0.00 H new ATOM 0 HE ARG A 46 7.538 -3.103 -19.128 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.609 -3.451 -20.843 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.979 -4.650 -21.977 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.761 -4.643 -20.597 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.823 -5.318 -21.838 1.00 0.00 H new ATOM 726 N MET A 47 7.246 1.312 -17.890 1.00 0.00 N ATOM 727 CA MET A 47 6.247 1.992 -18.716 1.00 0.00 C ATOM 728 C MET A 47 5.803 3.301 -18.056 1.00 0.00 C ATOM 729 O MET A 47 5.472 4.272 -18.738 1.00 0.00 O ATOM 730 CB MET A 47 5.023 1.094 -18.916 1.00 0.00 C ATOM 731 CG MET A 47 5.330 0.028 -19.973 1.00 0.00 C ATOM 732 SD MET A 47 5.363 0.793 -21.615 1.00 0.00 S ATOM 733 CE MET A 47 7.152 0.698 -21.881 1.00 0.00 C ATOM 0 H MET A 47 6.891 0.507 -17.375 1.00 0.00 H new ATOM 0 HA MET A 47 6.702 2.211 -19.682 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.752 0.618 -17.974 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.168 1.693 -19.228 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.290 -0.443 -19.761 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.575 -0.758 -19.942 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.495 1.606 -22.376 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.658 0.595 -20.921 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.382 -0.165 -22.506 1.00 0.00 H new ATOM 743 N LEU A 48 5.809 3.312 -16.716 1.00 0.00 N ATOM 744 CA LEU A 48 5.416 4.498 -15.952 1.00 0.00 C ATOM 745 C LEU A 48 6.517 5.564 -16.001 1.00 0.00 C ATOM 746 O LEU A 48 6.235 6.763 -15.986 1.00 0.00 O ATOM 747 CB LEU A 48 5.159 4.125 -14.487 1.00 0.00 C ATOM 748 CG LEU A 48 3.712 3.754 -14.134 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.180 2.702 -15.112 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.671 3.186 -12.710 1.00 0.00 C ATOM 0 H LEU A 48 6.081 2.514 -16.142 1.00 0.00 H new ATOM 0 HA LEU A 48 4.505 4.896 -16.399 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.803 3.284 -14.228 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.462 4.964 -13.860 1.00 0.00 H new ATOM 0 HG LEU A 48 3.090 4.646 -14.200 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.153 2.448 -14.850 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.208 3.101 -16.126 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.800 1.807 -15.057 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.645 2.921 -12.454 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.300 2.298 -12.654 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.038 3.935 -12.009 1.00 0.00 H new ATOM 762 N GLY A 49 7.773 5.106 -16.066 1.00 0.00 N ATOM 763 CA GLY A 49 8.919 6.023 -16.124 1.00 0.00 C ATOM 764 C GLY A 49 9.963 5.736 -15.033 1.00 0.00 C ATOM 765 O GLY A 49 10.740 6.620 -14.667 1.00 0.00 O ATOM 0 H GLY A 49 8.021 4.117 -16.080 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.392 5.946 -17.103 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.564 7.049 -16.021 1.00 0.00 H new ATOM 769 N GLN A 50 9.978 4.500 -14.518 1.00 0.00 N ATOM 770 CA GLN A 50 10.933 4.114 -13.472 1.00 0.00 C ATOM 771 C GLN A 50 11.528 2.740 -13.774 1.00 0.00 C ATOM 772 O GLN A 50 10.921 1.927 -14.470 1.00 0.00 O ATOM 773 CB GLN A 50 10.238 4.063 -12.107 1.00 0.00 C ATOM 774 CG GLN A 50 9.583 5.415 -11.815 1.00 0.00 C ATOM 775 CD GLN A 50 8.093 5.222 -11.551 1.00 0.00 C ATOM 776 OE1 GLN A 50 7.224 5.743 -12.375 1.00 0.00 O flip ATOM 777 NE2 GLN A 50 7.705 4.582 -10.574 1.00 0.00 N flip ATOM 0 H GLN A 50 9.344 3.755 -14.806 1.00 0.00 H new ATOM 0 HA GLN A 50 11.728 4.859 -13.450 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.486 3.274 -12.099 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.961 3.822 -11.328 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.057 5.880 -10.951 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.728 6.089 -12.659 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.382 4.174 -9.930 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.706 4.459 -10.409 1.00 0.00 H new ATOM 786 N ASN A 51 12.727 2.485 -13.246 1.00 0.00 N ATOM 787 CA ASN A 51 13.390 1.199 -13.473 1.00 0.00 C ATOM 788 C ASN A 51 14.187 0.766 -12.236 1.00 0.00 C ATOM 789 O ASN A 51 15.420 0.767 -12.240 1.00 0.00 O ATOM 790 CB ASN A 51 14.328 1.281 -14.692 1.00 0.00 C ATOM 791 CG ASN A 51 15.184 2.546 -14.621 1.00 0.00 C ATOM 792 OD1 ASN A 51 14.689 3.653 -14.841 1.00 0.00 O ATOM 793 ND2 ASN A 51 16.454 2.447 -14.329 1.00 0.00 N ATOM 0 H ASN A 51 13.252 3.140 -12.667 1.00 0.00 H new ATOM 0 HA ASN A 51 12.616 0.456 -13.668 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.970 0.401 -14.725 1.00 0.00 H new ATOM 0 HB3 ASN A 51 13.742 1.282 -15.611 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.034 3.285 -14.283 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.866 1.532 -14.147 1.00 0.00 H new ATOM 800 N PRO A 52 13.484 0.381 -11.162 1.00 0.00 N ATOM 801 CA PRO A 52 14.127 -0.064 -9.912 1.00 0.00 C ATOM 802 C PRO A 52 14.507 -1.551 -9.952 1.00 0.00 C ATOM 803 O PRO A 52 14.619 -2.144 -11.026 1.00 0.00 O ATOM 804 CB PRO A 52 13.034 0.203 -8.882 1.00 0.00 C ATOM 805 CG PRO A 52 11.705 0.188 -9.628 1.00 0.00 C ATOM 806 CD PRO A 52 12.007 0.366 -11.121 1.00 0.00 C ATOM 0 HA PRO A 52 15.067 0.447 -9.706 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.046 -0.557 -8.101 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.191 1.165 -8.393 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.179 -0.751 -9.453 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.057 0.988 -9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.595 -0.449 -11.716 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.583 1.291 -11.511 1.00 0.00 H new ATOM 814 N THR A 53 14.694 -2.145 -8.771 1.00 0.00 N ATOM 815 CA THR A 53 15.052 -3.563 -8.677 1.00 0.00 C ATOM 816 C THR A 53 13.816 -4.374 -8.269 1.00 0.00 C ATOM 817 O THR A 53 12.785 -3.796 -7.919 1.00 0.00 O ATOM 818 CB THR A 53 16.182 -3.768 -7.645 1.00 0.00 C ATOM 819 OG1 THR A 53 15.629 -3.890 -6.341 1.00 0.00 O ATOM 820 CG2 THR A 53 17.149 -2.581 -7.672 1.00 0.00 C ATOM 0 H THR A 53 14.604 -1.671 -7.872 1.00 0.00 H new ATOM 0 HA THR A 53 15.408 -3.905 -9.649 1.00 0.00 H new ATOM 0 HB THR A 53 16.724 -4.678 -7.901 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.353 -3.941 -5.682 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.940 -2.740 -6.939 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.587 -2.491 -8.666 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.609 -1.666 -7.430 1.00 0.00 H new ATOM 828 N PRO A 54 13.898 -5.714 -8.290 1.00 0.00 N ATOM 829 CA PRO A 54 12.757 -6.566 -7.899 1.00 0.00 C ATOM 830 C PRO A 54 12.510 -6.541 -6.389 1.00 0.00 C ATOM 831 O PRO A 54 11.383 -6.733 -5.932 1.00 0.00 O ATOM 832 CB PRO A 54 13.182 -7.945 -8.390 1.00 0.00 C ATOM 833 CG PRO A 54 14.699 -7.925 -8.502 1.00 0.00 C ATOM 834 CD PRO A 54 15.116 -6.461 -8.681 1.00 0.00 C ATOM 0 HA PRO A 54 11.810 -6.235 -8.325 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.856 -8.720 -7.696 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.726 -8.169 -9.355 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.157 -8.350 -7.609 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.031 -8.527 -9.348 1.00 0.00 H new ATOM 0 HD2 PRO A 54 15.966 -6.204 -8.049 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.407 -6.248 -9.710 1.00 0.00 H new ATOM 842 N GLU A 55 13.576 -6.267 -5.627 1.00 0.00 N ATOM 843 CA GLU A 55 13.465 -6.177 -4.174 1.00 0.00 C ATOM 844 C GLU A 55 12.915 -4.805 -3.775 1.00 0.00 C ATOM 845 O GLU A 55 12.162 -4.686 -2.808 1.00 0.00 O ATOM 846 CB GLU A 55 14.831 -6.381 -3.513 1.00 0.00 C ATOM 847 CG GLU A 55 15.217 -7.861 -3.574 1.00 0.00 C ATOM 848 CD GLU A 55 16.705 -8.015 -3.274 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.045 -8.133 -2.107 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.483 -8.011 -4.214 1.00 0.00 O ATOM 0 H GLU A 55 14.515 -6.106 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 55 12.786 -6.959 -3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.585 -5.777 -4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.798 -6.046 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.630 -8.430 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.991 -8.266 -4.560 1.00 0.00 H new ATOM 857 N GLU A 56 13.301 -3.770 -4.541 1.00 0.00 N ATOM 858 CA GLU A 56 12.846 -2.405 -4.270 1.00 0.00 C ATOM 859 C GLU A 56 11.349 -2.263 -4.546 1.00 0.00 C ATOM 860 O GLU A 56 10.606 -1.739 -3.714 1.00 0.00 O ATOM 861 CB GLU A 56 13.609 -1.397 -5.139 1.00 0.00 C ATOM 862 CG GLU A 56 15.056 -1.271 -4.644 1.00 0.00 C ATOM 863 CD GLU A 56 15.075 -0.706 -3.224 1.00 0.00 C ATOM 864 OE1 GLU A 56 14.748 0.459 -3.064 1.00 0.00 O ATOM 865 OE2 GLU A 56 15.421 -1.447 -2.318 1.00 0.00 O ATOM 0 H GLU A 56 13.922 -3.856 -5.345 1.00 0.00 H new ATOM 0 HA GLU A 56 13.039 -2.199 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.598 -1.720 -6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.117 -0.425 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.542 -2.247 -4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.622 -0.620 -5.311 1.00 0.00 H new ATOM 872 N LEU A 57 10.914 -2.735 -5.720 1.00 0.00 N ATOM 873 CA LEU A 57 9.500 -2.652 -6.093 1.00 0.00 C ATOM 874 C LEU A 57 8.633 -3.511 -5.169 1.00 0.00 C ATOM 875 O LEU A 57 7.494 -3.151 -4.870 1.00 0.00 O ATOM 876 CB LEU A 57 9.288 -3.095 -7.547 1.00 0.00 C ATOM 877 CG LEU A 57 9.764 -4.513 -7.895 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.616 -5.508 -7.704 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.221 -4.543 -9.355 1.00 0.00 C ATOM 0 H LEU A 57 11.513 -3.173 -6.419 1.00 0.00 H new ATOM 0 HA LEU A 57 9.200 -1.609 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.225 -3.024 -7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.803 -2.390 -8.200 1.00 0.00 H new ATOM 0 HG LEU A 57 10.591 -4.789 -7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.960 -6.512 -7.952 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.283 -5.485 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.787 -5.236 -8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.561 -5.547 -9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.389 -4.266 -10.002 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.040 -3.837 -9.495 1.00 0.00 H new ATOM 891 N GLN A 58 9.181 -4.648 -4.718 1.00 0.00 N ATOM 892 CA GLN A 58 8.441 -5.545 -3.823 1.00 0.00 C ATOM 893 C GLN A 58 8.054 -4.820 -2.529 1.00 0.00 C ATOM 894 O GLN A 58 6.958 -5.019 -2.005 1.00 0.00 O ATOM 895 CB GLN A 58 9.277 -6.783 -3.480 1.00 0.00 C ATOM 896 CG GLN A 58 8.396 -7.828 -2.786 1.00 0.00 C ATOM 897 CD GLN A 58 7.431 -8.449 -3.797 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.794 -9.376 -4.520 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.211 -7.989 -3.892 1.00 0.00 N ATOM 0 H GLN A 58 10.121 -4.964 -4.955 1.00 0.00 H new ATOM 0 HA GLN A 58 7.536 -5.859 -4.343 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.710 -7.204 -4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.107 -6.504 -2.831 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.019 -8.604 -2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.837 -7.363 -1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.908 -7.221 -3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.562 -8.399 -4.564 1.00 0.00 H new ATOM 908 N GLU A 59 8.961 -3.971 -2.028 1.00 0.00 N ATOM 909 CA GLU A 59 8.695 -3.211 -0.801 1.00 0.00 C ATOM 910 C GLU A 59 7.510 -2.266 -1.006 1.00 0.00 C ATOM 911 O GLU A 59 6.659 -2.123 -0.126 1.00 0.00 O ATOM 912 CB GLU A 59 9.922 -2.391 -0.390 1.00 0.00 C ATOM 913 CG GLU A 59 11.032 -3.330 0.091 1.00 0.00 C ATOM 914 CD GLU A 59 12.374 -2.608 0.033 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.970 -2.590 -1.030 1.00 0.00 O ATOM 916 OE2 GLU A 59 12.787 -2.081 1.053 1.00 0.00 O ATOM 0 H GLU A 59 9.874 -3.795 -2.447 1.00 0.00 H new ATOM 0 HA GLU A 59 8.462 -3.926 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.274 -1.798 -1.234 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.655 -1.691 0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.828 -3.658 1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.061 -4.224 -0.532 1.00 0.00 H new ATOM 923 N MET A 60 7.458 -1.635 -2.186 1.00 0.00 N ATOM 924 CA MET A 60 6.362 -0.714 -2.510 1.00 0.00 C ATOM 925 C MET A 60 5.053 -1.489 -2.636 1.00 0.00 C ATOM 926 O MET A 60 3.995 -1.024 -2.207 1.00 0.00 O ATOM 927 CB MET A 60 6.632 0.029 -3.827 1.00 0.00 C ATOM 928 CG MET A 60 8.030 0.656 -3.804 1.00 0.00 C ATOM 929 SD MET A 60 8.143 1.842 -2.440 1.00 0.00 S ATOM 930 CE MET A 60 9.772 1.339 -1.834 1.00 0.00 C ATOM 0 H MET A 60 8.153 -1.743 -2.924 1.00 0.00 H new ATOM 0 HA MET A 60 6.289 0.016 -1.704 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.549 -0.662 -4.666 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.880 0.804 -3.976 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.786 -0.121 -3.687 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.231 1.156 -4.751 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.217 2.155 -1.265 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.667 0.464 -1.192 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.415 1.094 -2.679 1.00 0.00 H new ATOM 940 N ILE A 61 5.147 -2.684 -3.226 1.00 0.00 N ATOM 941 CA ILE A 61 3.979 -3.548 -3.409 1.00 0.00 C ATOM 942 C ILE A 61 3.426 -3.982 -2.054 1.00 0.00 C ATOM 943 O ILE A 61 2.231 -3.877 -1.805 1.00 0.00 O ATOM 944 CB ILE A 61 4.350 -4.794 -4.222 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.735 -4.371 -5.641 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.158 -5.756 -4.284 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.681 -5.406 -6.247 1.00 0.00 C ATOM 0 H ILE A 61 6.019 -3.074 -3.584 1.00 0.00 H new ATOM 0 HA ILE A 61 3.221 -2.981 -3.949 1.00 0.00 H new ATOM 0 HB ILE A 61 5.189 -5.299 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.841 -4.276 -6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.215 -3.393 -5.622 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.432 -6.638 -4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.881 -6.057 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.313 -5.258 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.954 -5.102 -7.258 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.580 -5.479 -5.635 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.185 -6.376 -6.281 1.00 0.00 H new ATOM 959 N ASP A 62 4.313 -4.468 -1.184 1.00 0.00 N ATOM 960 CA ASP A 62 3.904 -4.915 0.151 1.00 0.00 C ATOM 961 C ASP A 62 3.160 -3.800 0.893 1.00 0.00 C ATOM 962 O ASP A 62 2.207 -4.061 1.629 1.00 0.00 O ATOM 963 CB ASP A 62 5.127 -5.332 0.975 1.00 0.00 C ATOM 964 CG ASP A 62 4.742 -6.466 1.920 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.812 -7.611 1.502 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.382 -6.173 3.049 1.00 0.00 O ATOM 0 H ASP A 62 5.310 -4.562 -1.376 1.00 0.00 H new ATOM 0 HA ASP A 62 3.239 -5.770 0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.932 -5.653 0.314 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.502 -4.482 1.544 1.00 0.00 H new ATOM 971 N GLU A 63 3.609 -2.557 0.689 1.00 0.00 N ATOM 972 CA GLU A 63 2.988 -1.401 1.341 1.00 0.00 C ATOM 973 C GLU A 63 1.566 -1.160 0.819 1.00 0.00 C ATOM 974 O GLU A 63 0.651 -0.883 1.598 1.00 0.00 O ATOM 975 CB GLU A 63 3.825 -0.140 1.097 1.00 0.00 C ATOM 976 CG GLU A 63 4.957 -0.069 2.127 1.00 0.00 C ATOM 977 CD GLU A 63 4.447 0.593 3.405 1.00 0.00 C ATOM 978 OE1 GLU A 63 4.513 1.809 3.487 1.00 0.00 O ATOM 979 OE2 GLU A 63 3.999 -0.126 4.282 1.00 0.00 O ATOM 0 H GLU A 63 4.395 -2.327 0.081 1.00 0.00 H new ATOM 0 HA GLU A 63 2.940 -1.617 2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.238 -0.154 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.196 0.747 1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.325 -1.071 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.796 0.497 1.722 1.00 0.00 H new ATOM 986 N VAL A 64 1.389 -1.259 -0.504 1.00 0.00 N ATOM 987 CA VAL A 64 0.072 -1.036 -1.116 1.00 0.00 C ATOM 988 C VAL A 64 -0.827 -2.278 -0.998 1.00 0.00 C ATOM 989 O VAL A 64 -2.047 -2.154 -0.875 1.00 0.00 O ATOM 990 CB VAL A 64 0.220 -0.640 -2.596 1.00 0.00 C ATOM 991 CG1 VAL A 64 0.871 -1.778 -3.389 1.00 0.00 C ATOM 992 CG2 VAL A 64 -1.160 -0.337 -3.184 1.00 0.00 C ATOM 0 H VAL A 64 2.131 -1.489 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.402 -0.220 -0.571 1.00 0.00 H new ATOM 0 HB VAL A 64 0.853 0.245 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.969 -1.484 -4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.858 -1.990 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.250 -2.671 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.055 -0.057 -4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.791 -1.222 -3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.618 0.484 -2.633 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.218 -3.468 -1.036 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.977 -4.716 -0.932 1.00 0.00 C ATOM 1004 C ASP A 65 -1.524 -4.879 0.484 1.00 0.00 C ATOM 1005 O ASP A 65 -0.770 -5.082 1.438 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.091 -5.924 -1.276 1.00 0.00 C ATOM 1007 CG ASP A 65 -0.809 -6.830 -2.277 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.842 -7.377 -1.923 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.314 -6.967 -3.385 1.00 0.00 O ATOM 0 H ASP A 65 0.789 -3.592 -1.137 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.803 -4.671 -1.642 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.856 -5.584 -1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.144 -6.483 -0.370 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.848 -4.777 0.605 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.506 -4.903 1.909 1.00 0.00 C ATOM 1016 C GLU A 66 -3.403 -6.335 2.429 1.00 0.00 C ATOM 1017 O GLU A 66 -3.066 -6.564 3.593 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.989 -4.519 1.815 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.134 -3.161 1.120 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.569 -2.662 1.264 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -6.848 -1.994 2.247 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -7.368 -2.953 0.389 1.00 0.00 O ATOM 0 H GLU A 66 -3.483 -4.609 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.999 -4.225 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.536 -5.281 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.426 -4.475 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.443 -2.441 1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.874 -3.251 0.065 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.704 -7.297 1.552 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.654 -8.713 1.927 1.00 0.00 C ATOM 1031 C ASP A 67 -2.273 -9.322 1.648 1.00 0.00 C ATOM 1032 O ASP A 67 -1.824 -10.211 2.376 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.742 -9.506 1.185 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.433 -9.581 -0.310 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.451 -8.546 -0.962 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -4.194 -10.676 -0.781 1.00 0.00 O ATOM 0 H ASP A 67 -3.982 -7.124 0.586 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.838 -8.775 3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.811 -10.512 1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.712 -9.032 1.337 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.602 -8.834 0.598 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.272 -9.336 0.244 1.00 0.00 C ATOM 1043 C GLY A 68 -0.358 -10.669 -0.500 1.00 0.00 C ATOM 1044 O GLY A 68 0.386 -11.606 -0.204 1.00 0.00 O ATOM 0 H GLY A 68 -1.955 -8.099 -0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.241 -8.603 -0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.324 -9.460 1.148 1.00 0.00 H new ATOM 1048 N SER A 69 -1.273 -10.740 -1.470 1.00 0.00 N ATOM 1049 CA SER A 69 -1.457 -11.965 -2.265 1.00 0.00 C ATOM 1050 C SER A 69 -0.348 -12.145 -3.312 1.00 0.00 C ATOM 1051 O SER A 69 -0.216 -13.220 -3.901 1.00 0.00 O ATOM 1052 CB SER A 69 -2.801 -11.937 -3.005 1.00 0.00 C ATOM 1053 OG SER A 69 -3.044 -10.627 -3.510 1.00 0.00 O ATOM 0 H SER A 69 -1.895 -9.973 -1.725 1.00 0.00 H new ATOM 0 HA SER A 69 -1.425 -12.795 -1.559 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.791 -12.657 -3.824 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.605 -12.232 -2.330 1.00 0.00 H new ATOM 0 HG SER A 69 -3.015 -10.643 -4.489 1.00 0.00 H new ATOM 1059 N GLY A 70 0.428 -11.083 -3.560 1.00 0.00 N ATOM 1060 CA GLY A 70 1.490 -11.143 -4.561 1.00 0.00 C ATOM 1061 C GLY A 70 0.947 -10.737 -5.936 1.00 0.00 C ATOM 1062 O GLY A 70 1.541 -11.052 -6.970 1.00 0.00 O ATOM 0 H GLY A 70 0.340 -10.184 -3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.307 -10.481 -4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.899 -12.152 -4.607 1.00 0.00 H new ATOM 1066 N THR A 71 -0.193 -10.028 -5.930 1.00 0.00 N ATOM 1067 CA THR A 71 -0.825 -9.570 -7.166 1.00 0.00 C ATOM 1068 C THR A 71 -1.396 -8.165 -6.959 1.00 0.00 C ATOM 1069 O THR A 71 -2.099 -7.908 -5.976 1.00 0.00 O ATOM 1070 CB THR A 71 -1.955 -10.523 -7.586 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.991 -10.501 -6.610 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.409 -11.947 -7.712 1.00 0.00 C ATOM 0 H THR A 71 -0.692 -9.762 -5.081 1.00 0.00 H new ATOM 0 HA THR A 71 -0.072 -9.553 -7.954 1.00 0.00 H new ATOM 0 HB THR A 71 -2.355 -10.200 -8.547 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.007 -9.626 -6.170 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.213 -12.620 -8.010 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.620 -11.969 -8.464 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.004 -12.268 -6.752 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.081 -7.258 -7.885 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.567 -5.881 -7.778 1.00 0.00 C ATOM 1082 C VAL A 72 -2.868 -5.707 -8.550 1.00 0.00 C ATOM 1083 O VAL A 72 -2.905 -5.853 -9.774 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.549 -4.874 -8.330 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -0.916 -3.467 -7.849 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.862 -5.215 -7.842 1.00 0.00 C ATOM 0 H VAL A 72 -0.502 -7.446 -8.704 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.726 -5.689 -6.717 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.569 -4.918 -9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.195 -2.749 -8.240 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.913 -3.209 -8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.902 -3.440 -6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.571 -4.491 -8.243 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.888 -5.183 -6.753 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.133 -6.214 -8.182 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.924 -5.357 -7.824 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.223 -5.116 -8.449 1.00 0.00 C ATOM 1098 C ASP A 73 -5.227 -3.704 -9.022 1.00 0.00 C ATOM 1099 O ASP A 73 -4.343 -2.910 -8.710 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.353 -5.259 -7.421 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.661 -6.740 -7.206 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -5.846 -7.414 -6.593 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.708 -7.176 -7.655 1.00 0.00 O ATOM 0 H ASP A 73 -3.909 -5.234 -6.812 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.387 -5.848 -9.240 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.062 -4.796 -6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.245 -4.738 -7.770 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.208 -3.385 -9.868 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.259 -2.045 -10.456 1.00 0.00 C ATOM 1110 C PHE A 74 -6.382 -0.976 -9.365 1.00 0.00 C ATOM 1111 O PHE A 74 -5.880 0.139 -9.520 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.420 -1.908 -11.446 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.192 -0.693 -12.309 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -5.939 -0.481 -12.894 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.230 0.221 -12.525 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.723 0.643 -13.692 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.012 1.348 -13.325 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.759 1.558 -13.907 1.00 0.00 C ATOM 0 H PHE A 74 -6.957 -4.015 -10.155 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.326 -1.896 -10.999 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.493 -2.801 -12.066 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.364 -1.816 -10.908 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.139 -1.187 -12.728 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.198 0.056 -12.075 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.756 0.807 -14.144 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.811 2.055 -13.493 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.590 2.428 -14.524 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.031 -1.336 -8.252 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.183 -0.407 -7.130 1.00 0.00 C ATOM 1130 C ASP A 75 -5.827 -0.190 -6.459 1.00 0.00 C ATOM 1131 O ASP A 75 -5.447 0.939 -6.151 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.174 -0.959 -6.098 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.573 -1.000 -6.707 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.243 0.020 -6.673 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -9.953 -2.050 -7.199 1.00 0.00 O ATOM 0 H ASP A 75 -7.454 -2.253 -8.106 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.566 0.539 -7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.872 -1.959 -5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.172 -0.333 -5.206 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.094 -1.294 -6.261 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.761 -1.236 -5.652 1.00 0.00 C ATOM 1142 C GLU A 76 -2.761 -0.599 -6.621 1.00 0.00 C ATOM 1143 O GLU A 76 -1.799 0.046 -6.206 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.267 -2.646 -5.301 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.271 -3.339 -4.371 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.902 -4.814 -4.210 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -2.778 -5.088 -3.822 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -4.751 -5.649 -4.474 1.00 0.00 O ATOM 0 H GLU A 76 -5.401 -2.234 -6.513 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.834 -0.636 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.138 -3.232 -6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.292 -2.588 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.276 -2.849 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.278 -3.250 -4.778 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.005 -0.798 -7.922 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.137 -0.254 -8.967 1.00 0.00 C ATOM 1157 C PHE A 77 -2.166 1.274 -8.946 1.00 0.00 C ATOM 1158 O PHE A 77 -1.121 1.928 -8.933 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.607 -0.750 -10.346 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.450 -0.910 -11.311 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.118 -0.977 -10.863 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -1.727 -0.997 -12.678 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.920 -1.128 -11.787 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -0.688 -1.149 -13.597 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.636 -1.213 -13.153 1.00 0.00 C ATOM 0 H PHE A 77 -3.799 -1.333 -8.274 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.118 -0.593 -8.780 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.121 -1.705 -10.233 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.330 -0.046 -10.759 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.102 -0.912 -9.808 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.749 -0.946 -13.024 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.943 -1.179 -11.445 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.907 -1.217 -14.652 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.439 -1.328 -13.865 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.382 1.829 -8.938 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.563 3.283 -8.913 1.00 0.00 C ATOM 1177 C LEU A 78 -3.200 3.846 -7.536 1.00 0.00 C ATOM 1178 O LEU A 78 -2.671 4.954 -7.427 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.014 3.650 -9.249 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.342 3.762 -10.747 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.649 2.641 -11.527 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -6.855 3.650 -10.944 1.00 0.00 C ATOM 0 H LEU A 78 -4.252 1.296 -8.948 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.902 3.718 -9.662 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.671 2.901 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.249 4.602 -8.772 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.988 4.725 -11.116 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.890 2.732 -12.586 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.570 2.717 -11.392 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.993 1.675 -11.159 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.091 3.729 -12.005 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.201 2.688 -10.566 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.353 4.453 -10.401 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.482 3.062 -6.486 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.173 3.478 -5.114 1.00 0.00 C ATOM 1196 C VAL A 79 -1.656 3.632 -4.943 1.00 0.00 C ATOM 1197 O VAL A 79 -1.183 4.612 -4.372 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.724 2.444 -4.112 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.817 2.347 -2.883 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.128 2.865 -3.670 1.00 0.00 C ATOM 0 H VAL A 79 -3.920 2.144 -6.561 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.647 4.440 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.760 1.470 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.223 1.612 -2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.817 2.041 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.763 3.319 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.520 2.136 -2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.081 3.845 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.783 2.915 -4.539 1.00 0.00 H new ATOM 1210 N MET A 80 -0.907 2.647 -5.451 1.00 0.00 N ATOM 1211 CA MET A 80 0.561 2.665 -5.370 1.00 0.00 C ATOM 1212 C MET A 80 1.133 4.018 -5.816 1.00 0.00 C ATOM 1213 O MET A 80 2.193 4.436 -5.344 1.00 0.00 O ATOM 1214 CB MET A 80 1.155 1.565 -6.260 1.00 0.00 C ATOM 1215 CG MET A 80 2.182 0.755 -5.464 1.00 0.00 C ATOM 1216 SD MET A 80 3.839 1.427 -5.749 1.00 0.00 S ATOM 1217 CE MET A 80 4.059 0.799 -7.433 1.00 0.00 C ATOM 0 H MET A 80 -1.291 1.828 -5.922 1.00 0.00 H new ATOM 0 HA MET A 80 0.830 2.494 -4.328 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.363 0.910 -6.622 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.628 2.009 -7.136 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.943 0.789 -4.401 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.147 -0.292 -5.765 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.872 0.074 -7.447 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.139 0.319 -7.765 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.299 1.626 -8.101 1.00 0.00 H new ATOM 1227 N MET A 81 0.419 4.700 -6.723 1.00 0.00 N ATOM 1228 CA MET A 81 0.863 6.004 -7.218 1.00 0.00 C ATOM 1229 C MET A 81 0.869 7.030 -6.082 1.00 0.00 C ATOM 1230 O MET A 81 1.890 7.666 -5.813 1.00 0.00 O ATOM 1231 CB MET A 81 -0.063 6.491 -8.337 1.00 0.00 C ATOM 1232 CG MET A 81 0.487 7.787 -8.944 1.00 0.00 C ATOM 1233 SD MET A 81 -0.576 8.313 -10.313 1.00 0.00 S ATOM 1234 CE MET A 81 -2.145 8.299 -9.410 1.00 0.00 C ATOM 0 H MET A 81 -0.460 4.371 -7.124 1.00 0.00 H new ATOM 0 HA MET A 81 1.874 5.895 -7.609 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.149 5.726 -9.109 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.065 6.660 -7.943 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.531 8.567 -8.184 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.505 7.631 -9.300 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.855 7.651 -9.924 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.980 7.927 -8.399 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.547 9.311 -9.363 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.282 7.176 -5.414 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.397 8.124 -4.297 1.00 0.00 C ATOM 1246 C VAL A 82 0.439 7.654 -3.101 1.00 0.00 C ATOM 1247 O VAL A 82 0.952 8.472 -2.337 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.858 8.297 -3.855 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.668 8.922 -4.993 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.467 6.941 -3.488 1.00 0.00 C ATOM 0 H VAL A 82 -1.136 6.659 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.022 9.085 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.884 8.948 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.704 9.044 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.249 9.896 -5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.629 8.272 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.502 7.079 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.434 6.281 -4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.899 6.496 -2.671 1.00 0.00 H new ATOM 1260 N ARG A 83 0.574 6.328 -2.957 1.00 0.00 N ATOM 1261 CA ARG A 83 1.360 5.750 -1.861 1.00 0.00 C ATOM 1262 C ARG A 83 2.789 6.297 -1.877 1.00 0.00 C ATOM 1263 O ARG A 83 3.401 6.486 -0.823 1.00 0.00 O ATOM 1264 CB ARG A 83 1.415 4.223 -1.978 1.00 0.00 C ATOM 1265 CG ARG A 83 0.068 3.626 -1.559 1.00 0.00 C ATOM 1266 CD ARG A 83 0.294 2.521 -0.522 1.00 0.00 C ATOM 1267 NE ARG A 83 0.142 3.049 0.837 1.00 0.00 N ATOM 1268 CZ ARG A 83 -1.063 3.253 1.389 1.00 0.00 C ATOM 1269 NH1 ARG A 83 -2.162 2.981 0.724 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -1.145 3.730 2.605 1.00 0.00 N ATOM 0 H ARG A 83 0.152 5.641 -3.582 1.00 0.00 H new ATOM 0 HA ARG A 83 0.873 6.025 -0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.649 3.935 -3.003 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.211 3.828 -1.347 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.572 4.404 -1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.448 3.221 -2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.417 1.711 -0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.291 2.099 -0.644 1.00 0.00 H new ATOM 0 HE ARG A 83 0.978 3.268 1.379 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.106 2.610 -0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.072 3.141 1.156 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.295 3.944 3.127 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.059 3.887 3.031 1.00 0.00 H new ATOM 1284 N CYS A 84 3.308 6.564 -3.087 1.00 0.00 N ATOM 1285 CA CYS A 84 4.660 7.106 -3.238 1.00 0.00 C ATOM 1286 C CYS A 84 4.787 8.414 -2.458 1.00 0.00 C ATOM 1287 O CYS A 84 5.801 8.666 -1.804 1.00 0.00 O ATOM 1288 CB CYS A 84 4.978 7.368 -4.714 1.00 0.00 C ATOM 1289 SG CYS A 84 6.771 7.325 -4.962 1.00 0.00 S ATOM 0 H CYS A 84 2.813 6.413 -3.966 1.00 0.00 H new ATOM 0 HA CYS A 84 5.366 6.373 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.495 6.617 -5.340 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.581 8.337 -5.016 1.00 0.00 H new ATOM 0 HG CYS A 84 7.041 7.545 -6.214 1.00 0.00 H new ATOM 1295 N MET A 85 3.731 9.233 -2.520 1.00 0.00 N ATOM 1296 CA MET A 85 3.713 10.504 -1.801 1.00 0.00 C ATOM 1297 C MET A 85 3.466 10.243 -0.315 1.00 0.00 C ATOM 1298 O MET A 85 4.230 10.695 0.541 1.00 0.00 O ATOM 1299 CB MET A 85 2.609 11.416 -2.347 1.00 0.00 C ATOM 1300 CG MET A 85 3.053 12.879 -2.245 1.00 0.00 C ATOM 1301 SD MET A 85 2.574 13.545 -0.632 1.00 0.00 S ATOM 1302 CE MET A 85 2.374 15.268 -1.147 1.00 0.00 C ATOM 0 H MET A 85 2.886 9.038 -3.057 1.00 0.00 H new ATOM 0 HA MET A 85 4.675 10.997 -1.938 1.00 0.00 H new ATOM 0 HB2 MET A 85 2.394 11.162 -3.385 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.688 11.265 -1.785 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.133 12.952 -2.374 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.596 13.465 -3.042 1.00 0.00 H new ATOM 0 HE1 MET A 85 2.074 15.871 -0.290 1.00 0.00 H new ATOM 0 HE2 MET A 85 3.319 15.642 -1.541 1.00 0.00 H new ATOM 0 HE3 MET A 85 1.608 15.330 -1.920 1.00 0.00 H new ATOM 1312 N LYS A 86 2.393 9.489 -0.028 1.00 0.00 N ATOM 1313 CA LYS A 86 2.033 9.137 1.350 1.00 0.00 C ATOM 1314 C LYS A 86 1.605 10.366 2.153 1.00 0.00 C ATOM 1315 O LYS A 86 1.882 11.509 1.778 1.00 0.00 O ATOM 1316 CB LYS A 86 3.212 8.457 2.058 1.00 0.00 C ATOM 1317 CG LYS A 86 2.715 7.211 2.796 1.00 0.00 C ATOM 1318 CD LYS A 86 3.793 6.127 2.760 1.00 0.00 C ATOM 1319 CE LYS A 86 3.737 5.304 4.051 1.00 0.00 C ATOM 1320 NZ LYS A 86 4.650 5.903 5.066 1.00 0.00 N ATOM 0 H LYS A 86 1.761 9.112 -0.734 1.00 0.00 H new ATOM 0 HA LYS A 86 1.190 8.448 1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.976 8.182 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.675 9.149 2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.471 7.461 3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.800 6.843 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.643 5.479 1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.777 6.582 2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.717 5.279 4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.027 4.273 3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.375 5.578 6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.628 5.610 4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.584 6.940 5.023 1.00 0.00 H new ATOM 1334 N ASP A 87 0.925 10.111 3.273 1.00 0.00 N ATOM 1335 CA ASP A 87 0.457 11.187 4.145 1.00 0.00 C ATOM 1336 C ASP A 87 1.189 11.142 5.494 1.00 0.00 C ATOM 1337 O ASP A 87 0.608 11.430 6.544 1.00 0.00 O ATOM 1338 CB ASP A 87 -1.056 11.062 4.375 1.00 0.00 C ATOM 1339 CG ASP A 87 -1.707 12.440 4.290 1.00 0.00 C ATOM 1340 OD1 ASP A 87 -1.802 12.964 3.191 1.00 0.00 O ATOM 1341 OD2 ASP A 87 -2.106 12.947 5.325 1.00 0.00 O ATOM 0 H ASP A 87 0.688 9.173 3.595 1.00 0.00 H new ATOM 0 HA ASP A 87 0.669 12.139 3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.493 10.397 3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.249 10.618 5.351 1.00 0.00 H new ATOM 1346 N ASP A 88 2.476 10.779 5.451 1.00 0.00 N ATOM 1347 CA ASP A 88 3.287 10.699 6.667 1.00 0.00 C ATOM 1348 C ASP A 88 4.171 11.939 6.812 1.00 0.00 C ATOM 1349 O ASP A 88 4.317 12.480 7.910 1.00 0.00 O ATOM 1350 CB ASP A 88 4.178 9.452 6.634 1.00 0.00 C ATOM 1351 CG ASP A 88 4.216 8.813 8.019 1.00 0.00 C ATOM 1352 OD1 ASP A 88 5.056 9.210 8.810 1.00 0.00 O ATOM 1353 OD2 ASP A 88 3.405 7.935 8.267 1.00 0.00 O ATOM 0 H ASP A 88 2.973 10.538 4.594 1.00 0.00 H new ATOM 0 HA ASP A 88 2.608 10.641 7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.796 8.739 5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.186 9.721 6.319 1.00 0.00 H new ATOM 1358 N SER A 89 4.760 12.377 5.694 1.00 0.00 N ATOM 1359 CA SER A 89 5.635 13.555 5.700 1.00 0.00 C ATOM 1360 C SER A 89 4.848 14.812 6.082 1.00 0.00 C ATOM 1361 O SER A 89 5.233 15.456 7.043 1.00 0.00 O ATOM 1362 CB SER A 89 6.271 13.763 4.320 1.00 0.00 C ATOM 1363 OG SER A 89 6.946 12.574 3.925 1.00 0.00 O ATOM 1364 OXT SER A 89 3.871 15.110 5.411 1.00 0.00 O ATOM 0 H SER A 89 4.648 11.938 4.780 1.00 0.00 H new ATOM 0 HA SER A 89 6.419 13.382 6.437 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.504 14.018 3.589 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.971 14.598 4.352 1.00 0.00 H new ATOM 0 HG SER A 89 7.351 12.706 3.042 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.300 -7.822 -3.429 1.00 0.00 CA