USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 639 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 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 52 THR OG1 : rot 107:sc= 0.867 USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= -0.635 USER MOD Set 3.1: A 11 ASN : amide:sc= 0.0103 K(o=0.019,f=-0.71) USER MOD Set 3.2: A 16 LYS NZ :NH3+ 128:sc= 0.00867 (180deg=-0.00655) USER MOD Set 4.1: A 5 GLN : amide:sc= 0 X(o=0.82,f=0.72) USER MOD Set 4.2: A 7 LYS NZ :NH3+ -107:sc= 0.82 (180deg=-0.0266) USER MOD Single : A 3 HIS : no HE2:sc= 0.953 K(o=0.95,f=-5.5!) USER MOD Single : A 4 MET CE :methyl -157:sc= -0.172 (180deg=-0.798) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= 0.886 (180deg=0.668) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0524 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.857 USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.18) USER MOD Single : A 34 LYS NZ :NH3+ 136:sc= 0.707 (180deg=0.0336) USER MOD Single : A 35 GLN : amide:sc= -0.581 K(o=-0.58,f=-1.9) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : A 40 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.622 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.317 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= 1.31 (180deg=1.14) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.95 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 167:sc= -0.0432 (180deg=-0.252) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 85 SER OG : rot 66:sc= 1.21 USER MOD Single : A 90 TYR OH : rot 30:sc= -0.216 USER MOD Single : A 94 HIS : no HD1:sc= 0.0159 K(o=0.016,f=-1.5) USER MOD Single : A 95 ASN : amide:sc= -0.426 K(o=-0.43,f=-1.1) USER MOD Single : A 96 THR OG1 : rot -58:sc= 1.16 USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.00259 USER MOD Single : A 99 THR OG1 : rot 46:sc= 0.376 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 3 -37.502 5.649 -0.508 1.00 0.62 N ATOM 22 CA HIS A 3 -36.335 4.771 -0.526 1.00 0.44 C ATOM 23 C HIS A 3 -35.579 4.961 -1.841 1.00 0.40 C ATOM 24 O HIS A 3 -36.198 5.184 -2.884 1.00 0.53 O ATOM 25 CB HIS A 3 -36.734 3.289 -0.415 1.00 0.55 C ATOM 26 CG HIS A 3 -36.881 2.771 0.984 1.00 1.04 C ATOM 27 ND1 HIS A 3 -36.785 1.429 1.291 1.00 1.55 N ATOM 28 CD2 HIS A 3 -37.106 3.408 2.160 1.00 1.91 C ATOM 29 CE1 HIS A 3 -36.940 1.263 2.588 1.00 2.22 C ATOM 30 NE2 HIS A 3 -37.137 2.446 3.139 1.00 2.50 N ATOM 0 HA HIS A 3 -35.713 5.033 0.330 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -37.678 3.143 -0.941 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -35.985 2.688 -0.931 1.00 0.55 H new ATOM 0 HD1 HIS A 3 -36.620 0.681 0.617 1.00 1.55 H new ATOM 0 HD2 HIS A 3 -37.236 4.471 2.300 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -36.911 0.319 3.112 1.00 2.22 H new ATOM 39 N MET A 4 -34.257 4.877 -1.810 1.00 0.38 N ATOM 40 CA MET A 4 -33.485 4.951 -3.036 1.00 0.41 C ATOM 41 C MET A 4 -32.505 3.795 -3.037 1.00 0.37 C ATOM 42 O MET A 4 -32.235 3.208 -1.986 1.00 0.43 O ATOM 43 CB MET A 4 -32.735 6.284 -3.161 1.00 0.54 C ATOM 44 CG MET A 4 -32.473 6.706 -4.601 1.00 1.29 C ATOM 45 SD MET A 4 -31.693 8.329 -4.715 1.00 1.92 S ATOM 46 CE MET A 4 -32.970 9.367 -4.002 1.00 2.06 C ATOM 0 H MET A 4 -33.705 4.759 -0.960 1.00 0.38 H new ATOM 0 HA MET A 4 -34.160 4.890 -3.890 1.00 0.41 H new ATOM 0 HB2 MET A 4 -33.311 7.063 -2.662 1.00 0.54 H new ATOM 0 HB3 MET A 4 -31.783 6.206 -2.636 1.00 0.54 H new ATOM 0 HG2 MET A 4 -31.835 5.965 -5.083 1.00 1.29 H new ATOM 0 HG3 MET A 4 -33.415 6.720 -5.149 1.00 1.29 H new ATOM 0 HE1 MET A 4 -32.845 10.391 -4.354 1.00 2.06 H new ATOM 0 HE2 MET A 4 -33.950 8.997 -4.303 1.00 2.06 H new ATOM 0 HE3 MET A 4 -32.892 9.345 -2.915 1.00 2.06 H new ATOM 56 N GLN A 5 -31.968 3.478 -4.195 1.00 0.34 N ATOM 57 CA GLN A 5 -31.062 2.352 -4.322 1.00 0.33 C ATOM 58 C GLN A 5 -29.612 2.800 -4.226 1.00 0.29 C ATOM 59 O GLN A 5 -29.095 3.457 -5.131 1.00 0.49 O ATOM 60 CB GLN A 5 -31.280 1.633 -5.653 1.00 0.44 C ATOM 61 CG GLN A 5 -30.489 0.343 -5.777 1.00 0.53 C ATOM 62 CD GLN A 5 -30.441 -0.181 -7.201 1.00 1.07 C ATOM 63 OE1 GLN A 5 -29.518 0.134 -7.954 1.00 1.90 O ATOM 64 NE2 GLN A 5 -31.431 -0.976 -7.583 1.00 1.53 N ATOM 0 H GLN A 5 -32.142 3.983 -5.064 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.275 1.667 -3.501 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.341 1.413 -5.769 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.002 2.301 -6.468 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -29.472 0.510 -5.421 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -30.933 -0.414 -5.131 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -32.177 -1.213 -6.928 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -31.447 -1.351 -8.531 1.00 1.53 H new ATOM 73 N TYR A 6 -28.964 2.471 -3.121 1.00 0.20 N ATOM 74 CA TYR A 6 -27.546 2.766 -2.976 1.00 0.21 C ATOM 75 C TYR A 6 -26.758 1.487 -3.219 1.00 0.23 C ATOM 76 O TYR A 6 -27.117 0.421 -2.709 1.00 0.30 O ATOM 77 CB TYR A 6 -27.205 3.367 -1.586 1.00 0.28 C ATOM 78 CG TYR A 6 -27.665 4.796 -1.411 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.897 5.863 -1.877 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.867 5.082 -0.781 1.00 0.78 C ATOM 81 CE1 TYR A 6 -27.322 7.167 -1.720 1.00 0.82 C ATOM 82 CE2 TYR A 6 -29.296 6.387 -0.619 1.00 0.83 C ATOM 83 CZ TYR A 6 -28.519 7.428 -1.090 1.00 0.43 C ATOM 84 OH TYR A 6 -28.943 8.733 -0.940 1.00 0.53 O ATOM 0 H TYR A 6 -29.389 2.005 -2.320 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.273 3.523 -3.711 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.662 2.751 -0.812 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -26.126 3.321 -1.435 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.956 5.666 -2.368 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.478 4.272 -0.411 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -26.717 7.981 -2.091 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -30.235 6.592 -0.126 1.00 0.83 H new ATOM 0 HH TYR A 6 -29.806 8.745 -0.476 1.00 0.53 H new ATOM 94 N LYS A 7 -25.730 1.568 -4.047 1.00 0.26 N ATOM 95 CA LYS A 7 -24.964 0.391 -4.399 1.00 0.30 C ATOM 96 C LYS A 7 -23.584 0.431 -3.776 1.00 0.23 C ATOM 97 O LYS A 7 -23.011 1.501 -3.564 1.00 0.31 O ATOM 98 CB LYS A 7 -24.865 0.254 -5.925 1.00 0.50 C ATOM 99 CG LYS A 7 -24.578 1.566 -6.628 1.00 0.98 C ATOM 100 CD LYS A 7 -24.472 1.383 -8.137 1.00 1.30 C ATOM 101 CE LYS A 7 -25.831 1.140 -8.784 1.00 1.94 C ATOM 102 NZ LYS A 7 -26.685 2.363 -8.782 1.00 2.57 N ATOM 0 H LYS A 7 -25.410 2.432 -4.484 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.484 -0.482 -4.004 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -24.078 -0.460 -6.168 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -25.799 -0.158 -6.307 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -25.369 2.281 -6.402 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -23.649 1.988 -6.246 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -24.015 2.269 -8.578 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -23.813 0.543 -8.354 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -25.687 0.801 -9.810 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -26.346 0.339 -8.253 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -27.445 2.255 -8.080 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -26.105 3.191 -8.539 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -27.102 2.497 -9.725 1.00 2.57 H new ATOM 116 N LEU A 8 -23.062 -0.744 -3.485 1.00 0.22 N ATOM 117 CA LEU A 8 -21.744 -0.859 -2.872 1.00 0.20 C ATOM 118 C LEU A 8 -20.861 -1.778 -3.697 1.00 0.17 C ATOM 119 O LEU A 8 -21.316 -2.818 -4.173 1.00 0.25 O ATOM 120 CB LEU A 8 -21.836 -1.389 -1.432 1.00 0.28 C ATOM 121 CG LEU A 8 -20.514 -1.464 -0.664 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.940 -0.079 -0.368 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.728 -2.241 0.615 1.00 0.33 C ATOM 0 H LEU A 8 -23.526 -1.635 -3.661 1.00 0.22 H new ATOM 0 HA LEU A 8 -21.306 0.139 -2.841 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.523 -0.753 -0.874 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -22.276 -2.386 -1.459 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.783 -1.977 -1.289 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -19.002 -0.183 0.178 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.758 0.447 -1.305 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.650 0.488 0.234 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.790 -2.298 1.167 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -21.478 -1.738 1.225 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -21.070 -3.248 0.376 1.00 0.33 H new ATOM 135 N ILE A 9 -19.617 -1.372 -3.888 1.00 0.15 N ATOM 136 CA ILE A 9 -18.654 -2.172 -4.616 1.00 0.14 C ATOM 137 C ILE A 9 -17.462 -2.457 -3.716 1.00 0.13 C ATOM 138 O ILE A 9 -16.780 -1.532 -3.267 1.00 0.17 O ATOM 139 CB ILE A 9 -18.178 -1.466 -5.916 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.345 -1.306 -6.915 1.00 0.26 C ATOM 141 CG2 ILE A 9 -17.042 -2.253 -6.565 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.962 -0.529 -8.165 1.00 0.62 C ATOM 0 H ILE A 9 -19.251 -0.484 -3.544 1.00 0.15 H new ATOM 0 HA ILE A 9 -19.138 -3.104 -4.909 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.814 -0.474 -5.647 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.704 -2.293 -7.205 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -20.172 -0.799 -6.419 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.720 -1.745 -7.474 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -16.204 -2.321 -5.871 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.390 -3.256 -6.813 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.826 -0.453 -8.825 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.630 0.471 -7.885 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -18.155 -1.047 -8.683 1.00 0.62 H new ATOM 154 N LEU A 10 -17.255 -3.725 -3.389 1.00 0.12 N ATOM 155 CA LEU A 10 -16.135 -4.098 -2.546 1.00 0.13 C ATOM 156 C LEU A 10 -14.948 -4.411 -3.421 1.00 0.15 C ATOM 157 O LEU A 10 -15.017 -5.306 -4.260 1.00 0.25 O ATOM 158 CB LEU A 10 -16.412 -5.328 -1.654 1.00 0.14 C ATOM 159 CG LEU A 10 -17.612 -5.286 -0.684 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.716 -3.963 0.042 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.920 -5.621 -1.388 1.00 0.19 C ATOM 0 H LEU A 10 -17.842 -4.502 -3.692 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.949 -3.252 -1.884 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.547 -6.188 -2.310 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.516 -5.516 -1.063 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.428 -6.056 0.065 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.575 -3.982 0.712 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.808 -3.793 0.621 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.840 -3.159 -0.683 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.740 -5.581 -0.671 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -19.099 -4.900 -2.185 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.858 -6.623 -1.813 1.00 0.19 H new ATOM 173 N ASN A 11 -13.884 -3.647 -3.285 1.00 0.15 N ATOM 174 CA ASN A 11 -12.691 -3.936 -4.036 1.00 0.18 C ATOM 175 C ASN A 11 -11.554 -4.241 -3.076 1.00 0.20 C ATOM 176 O ASN A 11 -10.794 -3.355 -2.669 1.00 0.24 O ATOM 177 CB ASN A 11 -12.327 -2.767 -4.956 1.00 0.24 C ATOM 178 CG ASN A 11 -11.572 -3.213 -6.195 1.00 1.01 C ATOM 179 OD1 ASN A 11 -10.873 -4.225 -6.192 1.00 1.96 O ATOM 180 ND2 ASN A 11 -11.722 -2.460 -7.273 1.00 1.33 N ATOM 0 H ASN A 11 -13.825 -2.835 -2.671 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.870 -4.807 -4.667 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -13.238 -2.249 -5.257 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.720 -2.050 -4.403 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -11.249 -2.712 -8.141 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -12.311 -1.628 -7.236 1.00 1.33 H new ATOM 187 N GLY A 12 -11.508 -5.493 -2.662 1.00 0.21 N ATOM 188 CA GLY A 12 -10.437 -5.971 -1.819 1.00 0.26 C ATOM 189 C GLY A 12 -10.018 -7.365 -2.232 1.00 0.39 C ATOM 190 O GLY A 12 -10.819 -8.135 -2.752 1.00 0.91 O ATOM 0 H GLY A 12 -12.206 -6.198 -2.899 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.585 -5.294 -1.885 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.760 -5.976 -0.778 1.00 0.26 H new ATOM 194 N LYS A 13 -8.783 -7.687 -1.945 1.00 0.44 N ATOM 195 CA LYS A 13 -8.168 -8.961 -2.312 1.00 0.56 C ATOM 196 C LYS A 13 -9.042 -10.150 -1.915 1.00 0.66 C ATOM 197 O LYS A 13 -9.182 -11.113 -2.673 1.00 0.89 O ATOM 198 CB LYS A 13 -6.809 -9.089 -1.608 1.00 0.76 C ATOM 199 CG LYS A 13 -6.083 -7.766 -1.461 1.00 1.17 C ATOM 200 CD LYS A 13 -4.845 -7.902 -0.597 1.00 1.63 C ATOM 201 CE LYS A 13 -4.548 -6.613 0.153 1.00 2.41 C ATOM 202 NZ LYS A 13 -5.601 -6.304 1.161 1.00 3.26 N ATOM 0 H LYS A 13 -8.153 -7.065 -1.439 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.047 -8.973 -3.395 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.959 -9.525 -0.620 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.180 -9.780 -2.169 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -5.801 -7.394 -2.446 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.755 -7.028 -1.022 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -4.984 -8.715 0.115 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -3.991 -8.167 -1.221 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -3.582 -6.696 0.651 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -4.471 -5.789 -0.557 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -5.227 -5.628 1.857 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -6.427 -5.889 0.684 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -5.885 -7.179 1.646 1.00 3.26 H new ATOM 216 N THR A 14 -9.649 -10.065 -0.740 1.00 0.76 N ATOM 217 CA THR A 14 -10.442 -11.163 -0.197 1.00 1.06 C ATOM 218 C THR A 14 -11.940 -10.938 -0.415 1.00 0.93 C ATOM 219 O THR A 14 -12.761 -11.781 -0.043 1.00 1.20 O ATOM 220 CB THR A 14 -10.156 -11.315 1.314 1.00 1.44 C ATOM 221 OG1 THR A 14 -8.758 -11.111 1.559 1.00 1.93 O ATOM 222 CG2 THR A 14 -10.553 -12.696 1.817 1.00 1.86 C ATOM 0 H THR A 14 -9.608 -9.242 -0.139 1.00 0.76 H new ATOM 0 HA THR A 14 -10.157 -12.074 -0.724 1.00 1.06 H new ATOM 0 HB THR A 14 -10.747 -10.570 1.847 1.00 1.44 H new ATOM 0 HG1 THR A 14 -8.577 -11.206 2.517 1.00 1.93 H new ATOM 0 HG21 THR A 14 -10.339 -12.770 2.883 1.00 1.86 H new ATOM 0 HG22 THR A 14 -11.619 -12.852 1.649 1.00 1.86 H new ATOM 0 HG23 THR A 14 -9.986 -13.456 1.279 1.00 1.86 H new ATOM 230 N LEU A 15 -12.291 -9.845 -1.086 1.00 0.64 N ATOM 231 CA LEU A 15 -13.690 -9.497 -1.290 1.00 0.66 C ATOM 232 C LEU A 15 -13.838 -8.527 -2.454 1.00 0.49 C ATOM 233 O LEU A 15 -13.597 -7.330 -2.313 1.00 0.55 O ATOM 234 CB LEU A 15 -14.274 -8.860 -0.023 1.00 0.92 C ATOM 235 CG LEU A 15 -15.625 -9.403 0.444 1.00 1.07 C ATOM 236 CD1 LEU A 15 -16.600 -9.496 -0.709 1.00 1.80 C ATOM 237 CD2 LEU A 15 -15.452 -10.752 1.116 1.00 1.35 C ATOM 0 H LEU A 15 -11.627 -9.188 -1.496 1.00 0.64 H new ATOM 0 HA LEU A 15 -14.234 -10.414 -1.517 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -13.555 -8.987 0.787 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -14.376 -7.788 -0.194 1.00 0.92 H new ATOM 0 HG LEU A 15 -16.038 -8.707 1.174 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -17.553 -9.885 -0.349 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -16.751 -8.506 -1.138 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -16.200 -10.165 -1.471 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -16.424 -11.123 1.442 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -15.013 -11.457 0.410 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -14.795 -10.647 1.980 1.00 1.35 H new ATOM 249 N LYS A 16 -14.197 -9.061 -3.605 1.00 0.42 N ATOM 250 CA LYS A 16 -14.426 -8.254 -4.788 1.00 0.37 C ATOM 251 C LYS A 16 -15.787 -8.605 -5.385 1.00 0.43 C ATOM 252 O LYS A 16 -15.988 -9.704 -5.907 1.00 0.58 O ATOM 253 CB LYS A 16 -13.294 -8.478 -5.805 1.00 0.45 C ATOM 254 CG LYS A 16 -11.965 -7.828 -5.411 1.00 0.43 C ATOM 255 CD LYS A 16 -10.810 -8.313 -6.249 1.00 1.03 C ATOM 256 CE LYS A 16 -11.099 -8.251 -7.741 1.00 1.81 C ATOM 257 NZ LYS A 16 -11.361 -6.862 -8.210 1.00 2.49 N ATOM 0 H LYS A 16 -14.338 -10.061 -3.747 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.429 -7.197 -4.520 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.139 -9.550 -5.931 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -13.606 -8.085 -6.773 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -12.051 -6.746 -5.510 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -11.760 -8.037 -4.361 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -9.929 -7.711 -6.029 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -10.572 -9.340 -5.972 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -10.253 -8.664 -8.290 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -11.962 -8.877 -7.968 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -10.749 -6.649 -9.023 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -12.358 -6.774 -8.494 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -11.160 -6.192 -7.440 1.00 2.49 H new ATOM 271 N GLY A 17 -16.723 -7.678 -5.259 1.00 0.33 N ATOM 272 CA GLY A 17 -18.085 -7.898 -5.706 1.00 0.39 C ATOM 273 C GLY A 17 -18.949 -6.704 -5.384 1.00 0.26 C ATOM 274 O GLY A 17 -18.429 -5.665 -4.968 1.00 0.23 O ATOM 0 H GLY A 17 -16.560 -6.759 -4.847 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.096 -8.082 -6.780 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.492 -8.788 -5.226 1.00 0.39 H new ATOM 278 N GLU A 18 -20.265 -6.835 -5.526 1.00 0.28 N ATOM 279 CA GLU A 18 -21.152 -5.715 -5.235 1.00 0.23 C ATOM 280 C GLU A 18 -22.396 -6.161 -4.475 1.00 0.29 C ATOM 281 O GLU A 18 -22.739 -7.344 -4.445 1.00 0.49 O ATOM 282 CB GLU A 18 -21.608 -5.000 -6.517 1.00 0.46 C ATOM 283 CG GLU A 18 -20.512 -4.710 -7.531 1.00 0.70 C ATOM 284 CD GLU A 18 -20.326 -5.835 -8.536 1.00 1.17 C ATOM 285 OE1 GLU A 18 -21.330 -6.246 -9.165 1.00 1.69 O ATOM 286 OE2 GLU A 18 -19.179 -6.280 -8.735 1.00 1.69 O ATOM 0 H GLU A 18 -20.733 -7.687 -5.834 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.571 -5.029 -4.619 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -22.373 -5.609 -6.999 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -22.080 -4.058 -6.238 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -20.750 -3.789 -8.063 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -19.573 -4.540 -7.005 1.00 0.70 H new ATOM 293 N THR A 19 -23.092 -5.180 -3.922 1.00 0.22 N ATOM 294 CA THR A 19 -24.333 -5.400 -3.196 1.00 0.32 C ATOM 295 C THR A 19 -25.156 -4.112 -3.217 1.00 0.29 C ATOM 296 O THR A 19 -24.681 -3.085 -3.711 1.00 0.31 O ATOM 297 CB THR A 19 -24.075 -5.857 -1.741 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.313 -6.209 -1.104 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.389 -4.758 -0.931 1.00 0.45 C ATOM 0 H THR A 19 -22.809 -4.201 -3.965 1.00 0.22 H new ATOM 0 HA THR A 19 -24.886 -6.201 -3.687 1.00 0.32 H new ATOM 0 HB THR A 19 -23.419 -6.727 -1.778 1.00 0.44 H new ATOM 0 HG1 THR A 19 -25.137 -6.498 -0.184 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.220 -5.108 0.087 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.433 -4.509 -1.392 1.00 0.45 H new ATOM 0 HG23 THR A 19 -24.023 -3.872 -0.910 1.00 0.45 H new ATOM 307 N THR A 20 -26.372 -4.156 -2.682 1.00 0.27 N ATOM 308 CA THR A 20 -27.259 -2.999 -2.709 1.00 0.24 C ATOM 309 C THR A 20 -28.018 -2.836 -1.395 1.00 0.25 C ATOM 310 O THR A 20 -28.160 -3.791 -0.630 1.00 0.31 O ATOM 311 CB THR A 20 -28.284 -3.114 -3.855 1.00 0.30 C ATOM 312 OG1 THR A 20 -28.940 -4.387 -3.790 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.628 -2.951 -5.225 1.00 0.32 C ATOM 0 H THR A 20 -26.765 -4.979 -2.225 1.00 0.27 H new ATOM 0 HA THR A 20 -26.624 -2.127 -2.865 1.00 0.24 H new ATOM 0 HB THR A 20 -29.009 -2.309 -3.732 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.592 -4.457 -4.518 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.385 -3.039 -6.004 1.00 0.32 H new ATOM 0 HG22 THR A 20 -27.155 -1.971 -5.288 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.875 -3.727 -5.362 1.00 0.32 H new ATOM 321 N THR A 21 -28.514 -1.630 -1.145 1.00 0.23 N ATOM 322 CA THR A 21 -29.315 -1.365 0.048 1.00 0.26 C ATOM 323 C THR A 21 -30.290 -0.222 -0.216 1.00 0.25 C ATOM 324 O THR A 21 -30.091 0.568 -1.142 1.00 0.26 O ATOM 325 CB THR A 21 -28.444 -1.027 1.290 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.224 -1.205 2.477 1.00 0.38 O ATOM 327 CG2 THR A 21 -27.925 0.421 1.245 1.00 0.28 C ATOM 0 H THR A 21 -28.377 -0.820 -1.750 1.00 0.23 H new ATOM 0 HA THR A 21 -29.862 -2.281 0.270 1.00 0.26 H new ATOM 0 HB THR A 21 -27.585 -1.697 1.289 1.00 0.31 H new ATOM 0 HG1 THR A 21 -28.677 -0.994 3.262 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.321 0.619 2.130 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.317 0.562 0.352 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.770 1.110 1.221 1.00 0.28 H new ATOM 335 N GLU A 22 -31.374 -0.178 0.549 1.00 0.31 N ATOM 336 CA GLU A 22 -32.361 0.881 0.413 1.00 0.36 C ATOM 337 C GLU A 22 -32.253 1.844 1.596 1.00 0.36 C ATOM 338 O GLU A 22 -32.460 1.447 2.742 1.00 0.58 O ATOM 339 CB GLU A 22 -33.775 0.290 0.377 1.00 0.51 C ATOM 340 CG GLU A 22 -34.029 -0.755 -0.709 1.00 1.16 C ATOM 341 CD GLU A 22 -35.368 -1.431 -0.522 1.00 1.77 C ATOM 342 OE1 GLU A 22 -35.417 -2.680 -0.543 1.00 2.26 O ATOM 343 OE2 GLU A 22 -36.375 -0.709 -0.339 1.00 2.24 O ATOM 0 H GLU A 22 -31.590 -0.866 1.271 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.170 1.415 -0.518 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -33.985 -0.162 1.346 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -34.486 1.105 0.245 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -33.994 -0.279 -1.689 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -33.236 -1.503 -0.689 1.00 1.16 H new ATOM 350 N ALA A 23 -31.950 3.106 1.321 1.00 0.26 N ATOM 351 CA ALA A 23 -31.835 4.102 2.384 1.00 0.28 C ATOM 352 C ALA A 23 -32.468 5.410 1.921 1.00 0.31 C ATOM 353 O ALA A 23 -32.663 5.608 0.721 1.00 0.38 O ATOM 354 CB ALA A 23 -30.371 4.308 2.772 1.00 0.32 C ATOM 0 H ALA A 23 -31.780 3.464 0.381 1.00 0.26 H new ATOM 0 HA ALA A 23 -32.364 3.748 3.269 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -30.306 5.053 3.565 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -29.952 3.366 3.125 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.809 4.652 1.904 1.00 0.32 H new ATOM 360 N VAL A 24 -32.849 6.273 2.858 1.00 0.35 N ATOM 361 CA VAL A 24 -33.464 7.550 2.502 1.00 0.45 C ATOM 362 C VAL A 24 -32.452 8.692 2.563 1.00 0.49 C ATOM 363 O VAL A 24 -32.810 9.864 2.434 1.00 0.74 O ATOM 364 CB VAL A 24 -34.674 7.878 3.405 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.771 6.844 3.220 1.00 1.05 C ATOM 366 CG2 VAL A 24 -34.268 7.956 4.869 1.00 1.09 C ATOM 0 H VAL A 24 -32.745 6.115 3.860 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.819 7.448 1.476 1.00 0.45 H new ATOM 0 HB VAL A 24 -35.054 8.855 3.108 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.616 7.090 3.864 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -36.096 6.841 2.180 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.390 5.858 3.484 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -35.142 8.188 5.477 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.852 6.999 5.183 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.519 8.737 4.998 1.00 1.09 H new ATOM 376 N ASP A 25 -31.189 8.344 2.769 1.00 0.39 N ATOM 377 CA ASP A 25 -30.120 9.330 2.830 1.00 0.45 C ATOM 378 C ASP A 25 -28.810 8.666 2.432 1.00 0.39 C ATOM 379 O ASP A 25 -28.666 7.450 2.552 1.00 0.35 O ATOM 380 CB ASP A 25 -29.996 9.926 4.236 1.00 0.54 C ATOM 381 CG ASP A 25 -29.196 11.217 4.258 1.00 1.25 C ATOM 382 OD1 ASP A 25 -29.792 12.304 4.415 1.00 1.51 O ATOM 383 OD2 ASP A 25 -27.960 11.145 4.101 1.00 2.13 O ATOM 0 H ASP A 25 -30.879 7.381 2.897 1.00 0.39 H new ATOM 0 HA ASP A 25 -30.353 10.142 2.142 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -30.993 10.114 4.635 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -29.521 9.198 4.894 1.00 0.54 H new ATOM 388 N ALA A 26 -27.866 9.459 1.961 1.00 0.44 N ATOM 389 CA ALA A 26 -26.580 8.938 1.526 1.00 0.46 C ATOM 390 C ALA A 26 -25.694 8.624 2.721 1.00 0.38 C ATOM 391 O ALA A 26 -25.080 7.560 2.788 1.00 0.37 O ATOM 392 CB ALA A 26 -25.897 9.938 0.602 1.00 0.59 C ATOM 0 H ALA A 26 -27.964 10.470 1.869 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.748 8.011 0.977 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.935 9.539 0.282 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -26.525 10.115 -0.271 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.742 10.877 1.133 1.00 0.59 H new ATOM 398 N ALA A 27 -25.727 9.496 3.717 1.00 0.39 N ATOM 399 CA ALA A 27 -24.898 9.336 4.901 1.00 0.38 C ATOM 400 C ALA A 27 -25.309 8.099 5.688 1.00 0.31 C ATOM 401 O ALA A 27 -24.466 7.387 6.237 1.00 0.32 O ATOM 402 CB ALA A 27 -24.986 10.573 5.778 1.00 0.48 C ATOM 0 H ALA A 27 -26.322 10.325 3.728 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.865 9.207 4.579 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.360 10.439 6.660 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.641 11.442 5.217 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -26.020 10.728 6.086 1.00 0.48 H new ATOM 408 N THR A 28 -26.603 7.818 5.688 1.00 0.31 N ATOM 409 CA THR A 28 -27.143 6.675 6.411 1.00 0.30 C ATOM 410 C THR A 28 -26.713 5.364 5.754 1.00 0.24 C ATOM 411 O THR A 28 -26.473 4.364 6.435 1.00 0.28 O ATOM 412 CB THR A 28 -28.681 6.736 6.470 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.095 8.069 6.799 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.227 5.761 7.511 1.00 0.45 C ATOM 0 H THR A 28 -27.303 8.369 5.192 1.00 0.31 H new ATOM 0 HA THR A 28 -26.747 6.713 7.426 1.00 0.30 H new ATOM 0 HB THR A 28 -29.075 6.455 5.494 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.074 8.108 6.835 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.315 5.824 7.533 1.00 0.45 H new ATOM 0 HG22 THR A 28 -28.927 4.746 7.251 1.00 0.45 H new ATOM 0 HG23 THR A 28 -28.829 6.017 8.493 1.00 0.45 H new ATOM 422 N ALA A 29 -26.502 5.416 4.444 1.00 0.21 N ATOM 423 CA ALA A 29 -26.111 4.235 3.691 1.00 0.22 C ATOM 424 C ALA A 29 -24.668 3.890 4.009 1.00 0.21 C ATOM 425 O ALA A 29 -24.305 2.719 4.138 1.00 0.25 O ATOM 426 CB ALA A 29 -26.295 4.471 2.199 1.00 0.28 C ATOM 0 H ALA A 29 -26.595 6.263 3.884 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.747 3.397 3.978 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -25.998 3.578 1.650 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.342 4.693 1.992 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.677 5.312 1.885 1.00 0.28 H new ATOM 432 N GLU A 30 -23.870 4.935 4.192 1.00 0.19 N ATOM 433 CA GLU A 30 -22.468 4.792 4.534 1.00 0.20 C ATOM 434 C GLU A 30 -22.309 4.074 5.872 1.00 0.20 C ATOM 435 O GLU A 30 -21.591 3.084 5.974 1.00 0.23 O ATOM 436 CB GLU A 30 -21.813 6.174 4.643 1.00 0.24 C ATOM 437 CG GLU A 30 -20.299 6.125 4.597 1.00 0.35 C ATOM 438 CD GLU A 30 -19.654 7.259 5.369 1.00 0.50 C ATOM 439 OE1 GLU A 30 -19.378 8.321 4.759 1.00 1.14 O ATOM 440 OE2 GLU A 30 -19.414 7.101 6.578 1.00 1.29 O ATOM 0 H GLU A 30 -24.180 5.903 4.107 1.00 0.19 H new ATOM 0 HA GLU A 30 -21.988 4.208 3.749 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -22.174 6.805 3.831 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.126 6.644 5.575 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -19.958 5.173 5.004 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -19.970 6.164 3.559 1.00 0.35 H new ATOM 447 N LYS A 31 -23.038 4.554 6.876 1.00 0.20 N ATOM 448 CA LYS A 31 -22.932 4.030 8.239 1.00 0.24 C ATOM 449 C LYS A 31 -23.322 2.553 8.309 1.00 0.22 C ATOM 450 O LYS A 31 -22.690 1.772 9.021 1.00 0.26 O ATOM 451 CB LYS A 31 -23.804 4.850 9.196 1.00 0.29 C ATOM 452 CG LYS A 31 -23.649 6.357 9.031 1.00 0.39 C ATOM 453 CD LYS A 31 -22.186 6.781 9.004 1.00 1.10 C ATOM 454 CE LYS A 31 -22.046 8.254 8.651 1.00 1.86 C ATOM 455 NZ LYS A 31 -20.634 8.642 8.391 1.00 2.42 N ATOM 0 H LYS A 31 -23.714 5.311 6.772 1.00 0.20 H new ATOM 0 HA LYS A 31 -21.889 4.115 8.542 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -24.849 4.582 9.040 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -23.555 4.579 10.222 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -24.135 6.672 8.108 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.159 6.866 9.849 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -21.732 6.593 9.977 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -21.643 6.177 8.277 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -22.648 8.473 7.769 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -22.442 8.860 9.466 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -20.599 9.631 8.073 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -20.079 8.539 9.265 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -20.235 8.027 7.653 1.00 2.42 H new ATOM 469 N VAL A 32 -24.340 2.168 7.548 1.00 0.20 N ATOM 470 CA VAL A 32 -24.804 0.783 7.539 1.00 0.22 C ATOM 471 C VAL A 32 -23.837 -0.119 6.777 1.00 0.18 C ATOM 472 O VAL A 32 -23.403 -1.150 7.286 1.00 0.20 O ATOM 473 CB VAL A 32 -26.216 0.663 6.921 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.675 -0.791 6.873 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.210 1.507 7.701 1.00 0.29 C ATOM 0 H VAL A 32 -24.859 2.792 6.931 1.00 0.20 H new ATOM 0 HA VAL A 32 -24.848 0.458 8.578 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.168 1.035 5.897 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.671 -0.844 6.434 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -25.980 -1.372 6.267 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.702 -1.197 7.884 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.199 1.411 7.253 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.245 1.164 8.735 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -26.900 2.552 7.675 1.00 0.29 H new ATOM 485 N PHE A 33 -23.454 0.309 5.584 1.00 0.16 N ATOM 486 CA PHE A 33 -22.568 -0.491 4.742 1.00 0.15 C ATOM 487 C PHE A 33 -21.145 -0.557 5.303 1.00 0.15 C ATOM 488 O PHE A 33 -20.411 -1.496 5.007 1.00 0.17 O ATOM 489 CB PHE A 33 -22.536 0.038 3.300 1.00 0.17 C ATOM 490 CG PHE A 33 -23.494 -0.645 2.357 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.895 -1.957 2.569 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.969 0.023 1.238 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.752 -2.587 1.684 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.829 -0.600 0.352 1.00 1.02 C ATOM 495 CZ PHE A 33 -25.220 -1.905 0.572 1.00 0.29 C ATOM 0 H PHE A 33 -23.739 1.199 5.176 1.00 0.16 H new ATOM 0 HA PHE A 33 -22.977 -1.501 4.737 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.760 1.105 3.314 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.524 -0.071 2.910 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.534 -2.492 3.435 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.663 1.043 1.056 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -25.056 -3.608 1.859 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -25.195 -0.065 -0.512 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.889 -2.394 -0.121 1.00 0.29 H new ATOM 505 N LYS A 34 -20.745 0.420 6.112 1.00 0.16 N ATOM 506 CA LYS A 34 -19.416 0.399 6.705 1.00 0.20 C ATOM 507 C LYS A 34 -19.338 -0.652 7.804 1.00 0.20 C ATOM 508 O LYS A 34 -18.294 -1.264 8.008 1.00 0.22 O ATOM 509 CB LYS A 34 -19.034 1.789 7.222 1.00 0.29 C ATOM 510 CG LYS A 34 -18.333 2.645 6.173 1.00 0.43 C ATOM 511 CD LYS A 34 -18.219 4.113 6.595 1.00 0.38 C ATOM 512 CE LYS A 34 -17.456 4.309 7.896 1.00 0.46 C ATOM 513 NZ LYS A 34 -17.362 5.752 8.248 1.00 1.09 N ATOM 0 H LYS A 34 -21.316 1.226 6.368 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.694 0.126 5.936 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -19.933 2.304 7.561 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.382 1.681 8.089 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -17.336 2.245 5.989 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -18.880 2.582 5.232 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -17.722 4.674 5.803 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -19.220 4.531 6.703 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -17.955 3.767 8.699 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.455 3.888 7.801 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -17.561 5.876 9.261 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -16.404 6.099 8.038 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -18.055 6.291 7.691 1.00 1.09 H new ATOM 527 N GLN A 35 -20.459 -0.891 8.471 1.00 0.21 N ATOM 528 CA GLN A 35 -20.542 -1.945 9.469 1.00 0.24 C ATOM 529 C GLN A 35 -20.635 -3.279 8.731 1.00 0.21 C ATOM 530 O GLN A 35 -20.055 -4.282 9.145 1.00 0.24 O ATOM 531 CB GLN A 35 -21.763 -1.685 10.400 1.00 0.32 C ATOM 532 CG GLN A 35 -22.008 -2.690 11.543 1.00 0.43 C ATOM 533 CD GLN A 35 -22.503 -4.046 11.072 1.00 1.28 C ATOM 534 OE1 GLN A 35 -23.227 -4.154 10.081 1.00 2.20 O ATOM 535 NE2 GLN A 35 -22.115 -5.090 11.779 1.00 1.82 N ATOM 0 H GLN A 35 -21.324 -0.367 8.338 1.00 0.21 H new ATOM 0 HA GLN A 35 -19.660 -1.966 10.109 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -21.646 -0.695 10.841 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -22.659 -1.654 9.780 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -21.081 -2.826 12.100 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.737 -2.268 12.235 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -21.515 -4.960 12.594 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -22.415 -6.027 11.511 1.00 1.82 H new ATOM 544 N TYR A 36 -21.265 -3.236 7.562 1.00 0.19 N ATOM 545 CA TYR A 36 -21.397 -4.399 6.695 1.00 0.18 C ATOM 546 C TYR A 36 -20.028 -4.837 6.170 1.00 0.17 C ATOM 547 O TYR A 36 -19.668 -6.013 6.232 1.00 0.19 O ATOM 548 CB TYR A 36 -22.336 -4.064 5.526 1.00 0.19 C ATOM 549 CG TYR A 36 -22.283 -5.051 4.381 1.00 0.21 C ATOM 550 CD1 TYR A 36 -22.986 -6.250 4.417 1.00 1.21 C ATOM 551 CD2 TYR A 36 -21.519 -4.774 3.259 1.00 1.11 C ATOM 552 CE1 TYR A 36 -22.921 -7.142 3.364 1.00 1.24 C ATOM 553 CE2 TYR A 36 -21.448 -5.653 2.203 1.00 1.12 C ATOM 554 CZ TYR A 36 -22.151 -6.841 2.259 1.00 0.34 C ATOM 555 OH TYR A 36 -22.082 -7.733 1.214 1.00 0.42 O ATOM 0 H TYR A 36 -21.699 -2.392 7.189 1.00 0.19 H new ATOM 0 HA TYR A 36 -21.819 -5.223 7.269 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.359 -4.014 5.900 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -22.086 -3.073 5.147 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -23.591 -6.487 5.280 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -20.967 -3.847 3.212 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -23.470 -8.071 3.405 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -20.847 -5.416 1.337 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.500 -7.372 0.513 1.00 0.42 H new ATOM 565 N ALA A 37 -19.282 -3.879 5.635 1.00 0.15 N ATOM 566 CA ALA A 37 -17.948 -4.138 5.116 1.00 0.16 C ATOM 567 C ALA A 37 -17.022 -4.535 6.259 1.00 0.18 C ATOM 568 O ALA A 37 -16.110 -5.345 6.088 1.00 0.22 O ATOM 569 CB ALA A 37 -17.420 -2.907 4.399 1.00 0.17 C ATOM 0 H ALA A 37 -19.583 -2.908 5.550 1.00 0.15 H new ATOM 0 HA ALA A 37 -17.991 -4.959 4.400 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.421 -3.111 4.014 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -18.083 -2.655 3.572 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.376 -2.070 5.096 1.00 0.17 H new ATOM 575 N ASN A 38 -17.306 -3.986 7.437 1.00 0.20 N ATOM 576 CA ASN A 38 -16.550 -4.296 8.654 1.00 0.26 C ATOM 577 C ASN A 38 -16.628 -5.788 8.960 1.00 0.28 C ATOM 578 O ASN A 38 -15.610 -6.442 9.177 1.00 0.36 O ATOM 579 CB ASN A 38 -17.091 -3.499 9.857 1.00 0.31 C ATOM 580 CG ASN A 38 -16.369 -3.837 11.161 1.00 0.44 C ATOM 581 OD1 ASN A 38 -15.382 -3.195 11.523 1.00 1.03 O ATOM 582 ND2 ASN A 38 -16.861 -4.846 11.882 1.00 1.39 N ATOM 0 H ASN A 38 -18.062 -3.316 7.578 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.511 -4.013 8.483 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -16.990 -2.432 9.656 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.156 -3.702 9.973 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -16.418 -5.107 12.763 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -17.680 -5.356 11.552 1.00 1.39 H new ATOM 589 N ASP A 39 -17.838 -6.329 8.919 1.00 0.30 N ATOM 590 CA ASP A 39 -18.064 -7.743 9.212 1.00 0.38 C ATOM 591 C ASP A 39 -17.515 -8.639 8.106 1.00 0.33 C ATOM 592 O ASP A 39 -17.466 -9.863 8.250 1.00 0.41 O ATOM 593 CB ASP A 39 -19.558 -8.018 9.410 1.00 0.53 C ATOM 594 CG ASP A 39 -20.112 -7.410 10.687 1.00 1.14 C ATOM 595 OD1 ASP A 39 -19.360 -6.716 11.409 1.00 1.78 O ATOM 596 OD2 ASP A 39 -21.310 -7.630 10.975 1.00 1.77 O ATOM 0 H ASP A 39 -18.684 -5.809 8.685 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.531 -7.975 10.134 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -20.110 -7.623 8.557 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -19.724 -9.095 9.426 1.00 0.53 H new ATOM 601 N ASN A 40 -17.135 -8.030 6.992 1.00 0.28 N ATOM 602 CA ASN A 40 -16.553 -8.758 5.877 1.00 0.34 C ATOM 603 C ASN A 40 -15.033 -8.623 5.893 1.00 0.32 C ATOM 604 O ASN A 40 -14.337 -9.237 5.087 1.00 0.46 O ATOM 605 CB ASN A 40 -17.119 -8.252 4.547 1.00 0.42 C ATOM 606 CG ASN A 40 -18.438 -8.916 4.175 1.00 0.92 C ATOM 607 OD1 ASN A 40 -18.454 -9.961 3.527 1.00 1.78 O ATOM 608 ND2 ASN A 40 -19.553 -8.317 4.568 1.00 0.78 N ATOM 0 H ASN A 40 -17.221 -7.025 6.837 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.812 -9.812 5.981 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -17.265 -7.173 4.607 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -16.391 -8.432 3.756 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -20.459 -8.722 4.334 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -19.505 -7.451 5.104 1.00 0.78 H new ATOM 615 N GLY A 41 -14.527 -7.829 6.834 1.00 0.25 N ATOM 616 CA GLY A 41 -13.094 -7.638 6.966 1.00 0.33 C ATOM 617 C GLY A 41 -12.516 -6.693 5.929 1.00 0.28 C ATOM 618 O GLY A 41 -11.304 -6.671 5.716 1.00 0.37 O ATOM 0 H GLY A 41 -15.089 -7.312 7.511 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -12.876 -7.251 7.961 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.597 -8.604 6.884 1.00 0.33 H new ATOM 622 N VAL A 42 -13.368 -5.891 5.298 1.00 0.23 N ATOM 623 CA VAL A 42 -12.917 -4.967 4.280 1.00 0.26 C ATOM 624 C VAL A 42 -12.843 -3.550 4.825 1.00 0.36 C ATOM 625 O VAL A 42 -13.852 -2.975 5.237 1.00 0.46 O ATOM 626 CB VAL A 42 -13.837 -5.005 3.044 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.303 -4.087 1.963 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.940 -6.426 2.529 1.00 0.29 C ATOM 0 H VAL A 42 -14.372 -5.867 5.478 1.00 0.23 H new ATOM 0 HA VAL A 42 -11.918 -5.280 3.978 1.00 0.26 H new ATOM 0 HB VAL A 42 -14.831 -4.658 3.327 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -13.963 -4.124 1.096 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -13.258 -3.066 2.342 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.303 -4.410 1.672 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.591 -6.450 1.655 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.949 -6.786 2.253 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -14.354 -7.066 3.308 1.00 0.29 H new ATOM 638 N ASP A 43 -11.642 -2.998 4.815 1.00 0.42 N ATOM 639 CA ASP A 43 -11.410 -1.640 5.306 1.00 0.55 C ATOM 640 C ASP A 43 -10.492 -0.887 4.340 1.00 0.47 C ATOM 641 O ASP A 43 -9.380 -1.344 4.060 1.00 0.68 O ATOM 642 CB ASP A 43 -10.781 -1.665 6.711 1.00 0.80 C ATOM 643 CG ASP A 43 -10.620 -0.272 7.293 1.00 1.29 C ATOM 644 OD1 ASP A 43 -11.589 0.243 7.894 1.00 1.86 O ATOM 645 OD2 ASP A 43 -9.526 0.314 7.160 1.00 1.80 O ATOM 0 H ASP A 43 -10.805 -3.468 4.471 1.00 0.42 H new ATOM 0 HA ASP A 43 -12.370 -1.128 5.367 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -11.404 -2.264 7.375 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -9.807 -2.151 6.662 1.00 0.80 H new ATOM 650 N GLY A 44 -10.941 0.260 3.832 1.00 0.43 N ATOM 651 CA GLY A 44 -10.147 1.004 2.875 1.00 0.37 C ATOM 652 C GLY A 44 -10.796 2.325 2.522 1.00 0.34 C ATOM 653 O GLY A 44 -11.750 2.736 3.180 1.00 0.38 O ATOM 0 H GLY A 44 -11.838 0.684 4.067 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.154 1.184 3.287 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -10.014 0.410 1.971 1.00 0.37 H new ATOM 657 N GLU A 45 -10.254 3.007 1.521 1.00 0.34 N ATOM 658 CA GLU A 45 -10.798 4.289 1.080 1.00 0.35 C ATOM 659 C GLU A 45 -12.241 4.149 0.617 1.00 0.29 C ATOM 660 O GLU A 45 -12.609 3.161 -0.019 1.00 0.43 O ATOM 661 CB GLU A 45 -9.944 4.871 -0.050 1.00 0.45 C ATOM 662 CG GLU A 45 -8.723 5.624 0.438 1.00 1.27 C ATOM 663 CD GLU A 45 -9.087 6.725 1.416 1.00 2.01 C ATOM 664 OE1 GLU A 45 -9.838 7.643 1.029 1.00 2.79 O ATOM 665 OE2 GLU A 45 -8.599 6.692 2.567 1.00 2.57 O ATOM 0 H GLU A 45 -9.436 2.695 0.997 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.777 4.968 1.932 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.623 4.061 -0.705 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.559 5.542 -0.650 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -8.035 4.927 0.916 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -8.198 6.055 -0.415 1.00 1.27 H new ATOM 672 N TRP A 46 -13.039 5.170 0.897 1.00 0.22 N ATOM 673 CA TRP A 46 -14.452 5.164 0.539 1.00 0.24 C ATOM 674 C TRP A 46 -14.762 6.259 -0.475 1.00 0.28 C ATOM 675 O TRP A 46 -14.637 7.448 -0.178 1.00 0.41 O ATOM 676 CB TRP A 46 -15.342 5.316 1.786 1.00 0.31 C ATOM 677 CG TRP A 46 -15.806 3.993 2.327 1.00 0.29 C ATOM 678 CD1 TRP A 46 -15.006 3.009 2.833 1.00 0.32 C ATOM 679 CD2 TRP A 46 -17.158 3.499 2.430 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.760 1.930 3.213 1.00 0.34 N ATOM 681 CE2 TRP A 46 -17.077 2.205 2.983 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.431 4.010 2.112 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -18.200 1.419 3.209 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.542 3.223 2.351 1.00 0.32 C ATOM 685 CH2 TRP A 46 -19.417 1.943 2.896 1.00 0.35 C ATOM 0 H TRP A 46 -12.731 6.017 1.373 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.673 4.200 0.081 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.789 5.848 2.560 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -16.209 5.927 1.537 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.931 3.072 2.921 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -15.396 1.061 3.605 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.537 4.998 1.689 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -18.111 0.424 3.620 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.524 3.604 2.112 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -20.306 1.356 3.073 1.00 0.35 H new ATOM 696 N THR A 47 -15.108 5.845 -1.683 1.00 0.29 N ATOM 697 CA THR A 47 -15.441 6.774 -2.751 1.00 0.35 C ATOM 698 C THR A 47 -16.946 6.778 -3.009 1.00 0.31 C ATOM 699 O THR A 47 -17.631 5.796 -2.710 1.00 0.28 O ATOM 700 CB THR A 47 -14.681 6.420 -4.049 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.685 4.999 -4.253 1.00 0.53 O ATOM 702 CG2 THR A 47 -13.247 6.921 -3.986 1.00 0.63 C ATOM 0 H THR A 47 -15.166 4.862 -1.950 1.00 0.29 H new ATOM 0 HA THR A 47 -15.136 7.771 -2.435 1.00 0.35 H new ATOM 0 HB THR A 47 -15.187 6.906 -4.883 1.00 0.43 H new ATOM 0 HG1 THR A 47 -14.202 4.786 -5.079 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.730 6.661 -4.910 1.00 0.63 H new ATOM 0 HG22 THR A 47 -13.245 8.004 -3.861 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.736 6.458 -3.142 1.00 0.63 H new ATOM 710 N TYR A 48 -17.454 7.890 -3.526 1.00 0.38 N ATOM 711 CA TYR A 48 -18.876 8.035 -3.793 1.00 0.37 C ATOM 712 C TYR A 48 -19.109 8.982 -4.970 1.00 0.42 C ATOM 713 O TYR A 48 -18.294 9.859 -5.233 1.00 0.51 O ATOM 714 CB TYR A 48 -19.588 8.554 -2.537 1.00 0.41 C ATOM 715 CG TYR A 48 -20.984 9.106 -2.776 1.00 0.44 C ATOM 716 CD1 TYR A 48 -21.273 10.463 -2.611 1.00 1.14 C ATOM 717 CD2 TYR A 48 -22.014 8.262 -3.170 1.00 1.15 C ATOM 718 CE1 TYR A 48 -22.546 10.952 -2.836 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.286 8.746 -3.395 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.531 10.140 -3.200 1.00 0.61 C ATOM 721 OH TYR A 48 -24.814 10.570 -3.455 1.00 0.70 O ATOM 0 H TYR A 48 -16.896 8.709 -3.769 1.00 0.38 H new ATOM 0 HA TYR A 48 -19.287 7.060 -4.057 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.653 7.743 -1.812 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -18.976 9.336 -2.087 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -20.490 11.140 -2.303 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.816 7.209 -3.303 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -22.742 12.007 -2.714 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -24.080 8.085 -3.712 1.00 1.18 H new ATOM 0 HH TYR A 48 -25.371 9.805 -3.707 1.00 0.70 H new ATOM 731 N ASP A 49 -20.211 8.771 -5.682 1.00 0.42 N ATOM 732 CA ASP A 49 -20.604 9.647 -6.798 1.00 0.51 C ATOM 733 C ASP A 49 -22.118 9.833 -6.746 1.00 0.53 C ATOM 734 O ASP A 49 -22.857 8.849 -6.668 1.00 0.55 O ATOM 735 CB ASP A 49 -20.173 9.065 -8.157 1.00 0.57 C ATOM 736 CG ASP A 49 -20.349 10.060 -9.281 1.00 1.22 C ATOM 737 OD1 ASP A 49 -19.369 10.751 -9.624 1.00 2.07 O ATOM 738 OD2 ASP A 49 -21.467 10.151 -9.823 1.00 1.52 O ATOM 0 H ASP A 49 -20.855 7.999 -5.511 1.00 0.42 H new ATOM 0 HA ASP A 49 -20.101 10.609 -6.696 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -19.128 8.758 -8.105 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -20.758 8.170 -8.370 1.00 0.57 H new ATOM 743 N ASP A 50 -22.591 11.079 -6.773 1.00 0.68 N ATOM 744 CA ASP A 50 -24.020 11.351 -6.584 1.00 0.76 C ATOM 745 C ASP A 50 -24.835 11.046 -7.840 1.00 0.73 C ATOM 746 O ASP A 50 -26.065 11.007 -7.778 1.00 0.84 O ATOM 747 CB ASP A 50 -24.249 12.829 -6.143 1.00 1.00 C ATOM 748 CG ASP A 50 -23.461 13.821 -6.970 1.00 1.56 C ATOM 749 OD1 ASP A 50 -22.448 14.353 -6.476 1.00 2.28 O ATOM 750 OD2 ASP A 50 -23.841 14.054 -8.135 1.00 2.15 O ATOM 0 H ASP A 50 -22.016 11.908 -6.922 1.00 0.68 H new ATOM 0 HA ASP A 50 -24.368 10.685 -5.794 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -25.311 13.064 -6.218 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -23.971 12.937 -5.094 1.00 1.00 H new ATOM 755 N ALA A 51 -24.174 10.779 -8.961 1.00 0.70 N ATOM 756 CA ALA A 51 -24.894 10.468 -10.189 1.00 0.78 C ATOM 757 C ALA A 51 -25.359 9.011 -10.223 1.00 0.75 C ATOM 758 O ALA A 51 -26.472 8.724 -10.660 1.00 0.91 O ATOM 759 CB ALA A 51 -24.051 10.799 -11.415 1.00 0.91 C ATOM 0 H ALA A 51 -23.157 10.771 -9.045 1.00 0.70 H new ATOM 0 HA ALA A 51 -25.786 11.094 -10.208 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -24.612 10.557 -12.318 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -23.807 11.861 -11.413 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -23.131 10.215 -11.392 1.00 0.91 H new ATOM 765 N THR A 52 -24.534 8.100 -9.718 1.00 0.63 N ATOM 766 CA THR A 52 -24.877 6.682 -9.730 1.00 0.65 C ATOM 767 C THR A 52 -25.251 6.159 -8.337 1.00 0.55 C ATOM 768 O THR A 52 -25.724 5.025 -8.205 1.00 0.62 O ATOM 769 CB THR A 52 -23.709 5.849 -10.287 1.00 0.74 C ATOM 770 OG1 THR A 52 -22.493 6.226 -9.627 1.00 1.06 O ATOM 771 CG2 THR A 52 -23.553 6.051 -11.789 1.00 1.19 C ATOM 0 H THR A 52 -23.630 8.315 -9.298 1.00 0.63 H new ATOM 0 HA THR A 52 -25.750 6.578 -10.375 1.00 0.65 H new ATOM 0 HB THR A 52 -23.924 4.796 -10.103 1.00 0.74 H new ATOM 0 HG1 THR A 52 -22.223 5.516 -9.008 1.00 1.06 H new ATOM 0 HG21 THR A 52 -22.720 5.449 -12.152 1.00 1.19 H new ATOM 0 HG22 THR A 52 -24.469 5.745 -12.294 1.00 1.19 H new ATOM 0 HG23 THR A 52 -23.358 7.103 -11.996 1.00 1.19 H new ATOM 779 N LYS A 53 -25.055 6.995 -7.307 1.00 0.47 N ATOM 780 CA LYS A 53 -25.334 6.609 -5.909 1.00 0.46 C ATOM 781 C LYS A 53 -24.486 5.400 -5.526 1.00 0.39 C ATOM 782 O LYS A 53 -24.914 4.539 -4.758 1.00 0.49 O ATOM 783 CB LYS A 53 -26.822 6.273 -5.691 1.00 0.59 C ATOM 784 CG LYS A 53 -27.778 7.462 -5.796 1.00 0.81 C ATOM 785 CD LYS A 53 -27.941 7.960 -7.222 1.00 0.87 C ATOM 786 CE LYS A 53 -28.938 9.103 -7.301 1.00 1.57 C ATOM 787 NZ LYS A 53 -28.455 10.320 -6.595 1.00 2.08 N ATOM 0 H LYS A 53 -24.703 7.947 -7.413 1.00 0.47 H new ATOM 0 HA LYS A 53 -25.083 7.462 -5.278 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -27.120 5.522 -6.422 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.936 5.821 -4.706 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -28.753 7.175 -5.402 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -27.409 8.276 -5.171 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -26.976 8.290 -7.606 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -28.274 7.141 -7.859 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -29.130 9.344 -8.347 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -29.887 8.786 -6.868 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -29.071 11.124 -6.829 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -28.474 10.156 -5.568 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -27.482 10.531 -6.894 1.00 2.08 H new ATOM 801 N THR A 54 -23.266 5.367 -6.039 1.00 0.34 N ATOM 802 CA THR A 54 -22.376 4.238 -5.824 1.00 0.31 C ATOM 803 C THR A 54 -21.319 4.531 -4.758 1.00 0.28 C ATOM 804 O THR A 54 -20.671 5.580 -4.783 1.00 0.35 O ATOM 805 CB THR A 54 -21.648 3.856 -7.132 1.00 0.38 C ATOM 806 OG1 THR A 54 -22.579 3.857 -8.220 1.00 0.51 O ATOM 807 CG2 THR A 54 -20.995 2.473 -7.026 1.00 0.41 C ATOM 0 H THR A 54 -22.869 6.113 -6.610 1.00 0.34 H new ATOM 0 HA THR A 54 -23.004 3.415 -5.484 1.00 0.31 H new ATOM 0 HB THR A 54 -20.864 4.593 -7.308 1.00 0.38 H new ATOM 0 HG1 THR A 54 -22.114 3.616 -9.048 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.492 2.236 -7.963 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.268 2.475 -6.214 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.761 1.724 -6.825 1.00 0.41 H new ATOM 815 N TYR A 55 -21.200 3.628 -3.796 1.00 0.21 N ATOM 816 CA TYR A 55 -20.138 3.697 -2.804 1.00 0.21 C ATOM 817 C TYR A 55 -19.157 2.558 -3.051 1.00 0.21 C ATOM 818 O TYR A 55 -19.563 1.433 -3.346 1.00 0.24 O ATOM 819 CB TYR A 55 -20.680 3.620 -1.364 1.00 0.24 C ATOM 820 CG TYR A 55 -21.289 4.908 -0.846 1.00 0.30 C ATOM 821 CD1 TYR A 55 -22.613 5.221 -1.134 1.00 1.14 C ATOM 822 CD2 TYR A 55 -20.546 5.809 -0.092 1.00 1.06 C ATOM 823 CE1 TYR A 55 -23.180 6.399 -0.690 1.00 1.19 C ATOM 824 CE2 TYR A 55 -21.109 6.989 0.360 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.388 7.259 0.151 1.00 0.56 C ATOM 826 OH TYR A 55 -22.985 8.453 0.502 1.00 0.70 O ATOM 0 H TYR A 55 -21.830 2.834 -3.681 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.639 4.660 -2.907 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.433 2.833 -1.315 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.867 3.326 -0.700 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -23.208 4.531 -1.715 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -19.516 5.585 0.144 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -24.189 6.668 -0.966 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -20.495 7.701 0.892 1.00 1.12 H new ATOM 0 HH TYR A 55 -22.376 8.968 1.072 1.00 0.70 H new ATOM 836 N THR A 56 -17.875 2.855 -2.999 1.00 0.24 N ATOM 837 CA THR A 56 -16.865 1.838 -3.230 1.00 0.29 C ATOM 838 C THR A 56 -15.797 1.864 -2.141 1.00 0.25 C ATOM 839 O THR A 56 -15.335 2.931 -1.737 1.00 0.28 O ATOM 840 CB THR A 56 -16.205 2.008 -4.623 1.00 0.38 C ATOM 841 OG1 THR A 56 -17.199 1.872 -5.650 1.00 0.96 O ATOM 842 CG2 THR A 56 -15.093 0.980 -4.847 1.00 0.74 C ATOM 0 H THR A 56 -17.507 3.785 -2.800 1.00 0.24 H new ATOM 0 HA THR A 56 -17.368 0.871 -3.200 1.00 0.29 H new ATOM 0 HB THR A 56 -15.760 3.002 -4.665 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.779 1.982 -6.529 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.653 1.129 -5.833 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.324 1.104 -4.084 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.509 -0.026 -4.783 1.00 0.74 H new ATOM 850 N VAL A 57 -15.461 0.683 -1.629 1.00 0.24 N ATOM 851 CA VAL A 57 -14.401 0.556 -0.640 1.00 0.23 C ATOM 852 C VAL A 57 -13.236 -0.193 -1.270 1.00 0.24 C ATOM 853 O VAL A 57 -13.399 -1.297 -1.787 1.00 0.30 O ATOM 854 CB VAL A 57 -14.860 -0.125 0.700 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.397 -1.544 0.508 1.00 0.28 C ATOM 856 CG2 VAL A 57 -13.715 -0.134 1.701 1.00 0.27 C ATOM 0 H VAL A 57 -15.908 -0.197 -1.884 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.095 1.562 -0.351 1.00 0.23 H new ATOM 0 HB VAL A 57 -15.688 0.472 1.082 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -15.695 -1.954 1.473 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.259 -1.520 -0.158 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.619 -2.171 0.072 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.044 -0.608 2.626 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -12.874 -0.691 1.287 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.405 0.890 1.909 1.00 0.27 H new ATOM 866 N THR A 58 -12.092 0.471 -1.337 1.00 0.26 N ATOM 867 CA THR A 58 -10.930 -0.084 -2.013 1.00 0.30 C ATOM 868 C THR A 58 -9.785 -0.347 -1.040 1.00 0.32 C ATOM 869 O THR A 58 -9.475 0.488 -0.189 1.00 0.36 O ATOM 870 CB THR A 58 -10.451 0.879 -3.116 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.587 1.400 -3.812 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.532 0.177 -4.108 1.00 0.52 C ATOM 0 H THR A 58 -11.944 1.395 -0.931 1.00 0.26 H new ATOM 0 HA THR A 58 -11.229 -1.035 -2.454 1.00 0.30 H new ATOM 0 HB THR A 58 -9.890 1.686 -2.645 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.287 2.015 -4.514 1.00 0.41 H new ATOM 0 HG21 THR A 58 -9.213 0.885 -4.872 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.658 -0.209 -3.584 1.00 0.52 H new ATOM 0 HG23 THR A 58 -10.067 -0.648 -4.579 1.00 0.52 H new ATOM 880 N GLU A 59 -9.165 -1.512 -1.172 1.00 0.35 N ATOM 881 CA GLU A 59 -8.034 -1.881 -0.323 1.00 0.42 C ATOM 882 C GLU A 59 -6.712 -1.411 -0.942 1.00 0.53 C ATOM 883 O GLU A 59 -6.617 -1.239 -2.158 1.00 0.75 O ATOM 884 CB GLU A 59 -7.948 -3.401 -0.102 1.00 0.44 C ATOM 885 CG GLU A 59 -9.140 -4.038 0.597 1.00 0.78 C ATOM 886 CD GLU A 59 -8.788 -5.408 1.144 1.00 1.79 C ATOM 887 OE1 GLU A 59 -8.162 -6.203 0.406 1.00 2.34 O ATOM 888 OE2 GLU A 59 -9.107 -5.681 2.316 1.00 2.56 O ATOM 0 H GLU A 59 -9.424 -2.220 -1.859 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.199 -1.391 0.637 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -7.819 -3.883 -1.071 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -7.052 -3.614 0.482 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -9.475 -3.394 1.410 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -9.971 -4.126 -0.103 1.00 0.78 H new ATOM 1067 N LEU A 75 26.803 -6.096 6.510 1.00 21.47 N ATOM 1068 CA LEU A 75 26.140 -5.532 7.677 1.00 21.98 C ATOM 1069 C LEU A 75 24.872 -4.795 7.260 1.00 22.04 C ATOM 1070 O LEU A 75 24.898 -3.996 6.316 1.00 21.90 O ATOM 1071 CB LEU A 75 27.063 -4.578 8.445 1.00 22.62 C ATOM 1072 CG LEU A 75 28.028 -5.231 9.442 1.00 22.85 C ATOM 1073 CD1 LEU A 75 27.262 -5.859 10.592 1.00 22.94 C ATOM 1074 CD2 LEU A 75 28.894 -6.271 8.752 1.00 22.46 C ATOM 0 HA LEU A 75 25.880 -6.359 8.338 1.00 21.98 H new ATOM 0 HB2 LEU A 75 27.649 -4.011 7.722 1.00 22.62 H new ATOM 0 HB3 LEU A 75 26.444 -3.862 8.985 1.00 22.62 H new ATOM 0 HG LEU A 75 28.679 -4.454 9.842 1.00 22.85 H new ATOM 0 HD11 LEU A 75 27.963 -6.317 11.289 1.00 22.94 H new ATOM 0 HD12 LEU A 75 26.687 -5.091 11.109 1.00 22.94 H new ATOM 0 HD13 LEU A 75 26.585 -6.621 10.205 1.00 22.94 H new ATOM 0 HD21 LEU A 75 29.571 -6.721 9.478 1.00 22.46 H new ATOM 0 HD22 LEU A 75 28.259 -7.044 8.320 1.00 22.46 H new ATOM 0 HD23 LEU A 75 29.475 -5.795 7.962 1.00 22.46 H new ATOM 1086 N PRO A 76 23.733 -5.076 7.924 1.00 22.33 N ATOM 1087 CA PRO A 76 22.477 -4.382 7.639 1.00 22.55 C ATOM 1088 C PRO A 76 22.561 -2.909 8.050 1.00 23.16 C ATOM 1089 O PRO A 76 23.517 -2.489 8.710 1.00 23.54 O ATOM 1090 CB PRO A 76 21.417 -5.119 8.491 1.00 22.90 C ATOM 1091 CG PRO A 76 22.087 -6.340 9.035 1.00 22.69 C ATOM 1092 CD PRO A 76 23.588 -6.075 8.991 1.00 22.58 C ATOM 0 HA PRO A 76 22.238 -4.393 6.576 1.00 22.55 H new ATOM 0 HB2 PRO A 76 21.056 -4.482 9.298 1.00 22.90 H new ATOM 0 HB3 PRO A 76 20.551 -5.388 7.886 1.00 22.90 H new ATOM 0 HG2 PRO A 76 21.759 -6.539 10.055 1.00 22.69 H new ATOM 0 HG3 PRO A 76 21.832 -7.218 8.442 1.00 22.69 H new ATOM 0 HD2 PRO A 76 23.956 -5.698 9.945 1.00 22.58 H new ATOM 0 HD3 PRO A 76 24.149 -6.983 8.769 1.00 22.58 H new ATOM 1100 N PRO A 77 21.532 -2.121 7.729 1.00 23.33 N ATOM 1101 CA PRO A 77 21.513 -0.688 8.028 1.00 24.01 C ATOM 1102 C PRO A 77 21.581 -0.423 9.529 1.00 24.77 C ATOM 1103 O PRO A 77 20.848 -1.021 10.319 1.00 25.03 O ATOM 1104 CB PRO A 77 20.173 -0.228 7.445 1.00 24.14 C ATOM 1105 CG PRO A 77 19.331 -1.445 7.500 1.00 23.57 C ATOM 1106 CD PRO A 77 20.259 -2.578 7.151 1.00 23.01 C ATOM 0 HA PRO A 77 22.369 -0.159 7.610 1.00 24.01 H new ATOM 0 HB2 PRO A 77 19.740 0.585 8.028 1.00 24.14 H new ATOM 0 HB3 PRO A 77 20.284 0.136 6.424 1.00 24.14 H new ATOM 0 HG2 PRO A 77 18.898 -1.581 8.491 1.00 23.57 H new ATOM 0 HG3 PRO A 77 18.502 -1.383 6.796 1.00 23.57 H new ATOM 0 HD2 PRO A 77 19.930 -3.523 7.584 1.00 23.01 H new ATOM 0 HD3 PRO A 77 20.331 -2.729 6.074 1.00 23.01 H new ATOM 1114 N GLY A 78 22.496 0.447 9.923 1.00 25.21 N ATOM 1115 CA GLY A 78 22.661 0.762 11.331 1.00 26.01 C ATOM 1116 C GLY A 78 23.532 -0.234 12.091 1.00 25.92 C ATOM 1117 O GLY A 78 23.917 0.031 13.229 1.00 26.59 O ATOM 0 H GLY A 78 23.129 0.943 9.295 1.00 25.21 H new ATOM 0 HA2 GLY A 78 23.099 1.756 11.422 1.00 26.01 H new ATOM 0 HA3 GLY A 78 21.679 0.803 11.801 1.00 26.01 H new ATOM 1121 N TRP A 79 23.783 -1.407 11.512 1.00 25.19 N ATOM 1122 CA TRP A 79 24.622 -2.406 12.186 1.00 25.16 C ATOM 1123 C TRP A 79 26.097 -2.147 11.881 1.00 24.97 C ATOM 1124 O TRP A 79 26.462 -1.907 10.729 1.00 24.43 O ATOM 1125 CB TRP A 79 24.243 -3.833 11.769 1.00 24.58 C ATOM 1126 CG TRP A 79 22.950 -4.301 12.368 1.00 24.92 C ATOM 1127 CD1 TRP A 79 21.690 -4.047 11.909 1.00 24.92 C ATOM 1128 CD2 TRP A 79 22.793 -5.101 13.549 1.00 25.44 C ATOM 1129 NE1 TRP A 79 20.760 -4.639 12.728 1.00 25.41 N ATOM 1130 CE2 TRP A 79 21.414 -5.296 13.743 1.00 25.73 C ATOM 1131 CE3 TRP A 79 23.689 -5.680 14.453 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 20.911 -6.031 14.818 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 23.193 -6.410 15.515 1.00 26.34 C ATOM 1134 CH2 TRP A 79 21.818 -6.587 15.689 1.00 26.61 C ATOM 0 H TRP A 79 23.428 -1.689 10.598 1.00 25.19 H new ATOM 0 HA TRP A 79 24.453 -2.313 13.259 1.00 25.16 H new ATOM 0 HB2 TRP A 79 24.170 -3.880 10.682 1.00 24.58 H new ATOM 0 HB3 TRP A 79 25.040 -4.515 12.065 1.00 24.58 H new ATOM 0 HD1 TRP A 79 21.458 -3.465 11.029 1.00 24.92 H new ATOM 0 HE1 TRP A 79 19.748 -4.598 12.603 1.00 25.41 H new ATOM 0 HE3 TRP A 79 24.754 -5.558 14.322 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 19.848 -6.158 14.960 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 23.879 -6.851 16.223 1.00 26.34 H new ATOM 0 HH2 TRP A 79 21.461 -7.172 16.524 1.00 26.61 H new ATOM 1145 N GLU A 80 26.949 -2.221 12.902 1.00 25.51 N ATOM 1146 CA GLU A 80 28.366 -1.953 12.733 1.00 25.50 C ATOM 1147 C GLU A 80 29.209 -3.134 13.188 1.00 25.52 C ATOM 1148 O GLU A 80 28.976 -3.700 14.255 1.00 25.91 O ATOM 1149 CB GLU A 80 28.766 -0.717 13.545 1.00 26.28 C ATOM 1150 CG GLU A 80 28.246 0.595 12.986 1.00 26.33 C ATOM 1151 CD GLU A 80 29.004 1.033 11.752 1.00 26.69 C ATOM 1152 OE1 GLU A 80 30.117 1.581 11.897 1.00 26.95 O ATOM 1153 OE2 GLU A 80 28.489 0.844 10.632 1.00 26.80 O ATOM 0 H GLU A 80 26.677 -2.465 13.854 1.00 25.51 H new ATOM 0 HA GLU A 80 28.546 -1.780 11.672 1.00 25.50 H new ATOM 0 HB2 GLU A 80 28.401 -0.834 14.565 1.00 26.28 H new ATOM 0 HB3 GLU A 80 29.854 -0.669 13.599 1.00 26.28 H new ATOM 0 HG2 GLU A 80 27.189 0.490 12.742 1.00 26.33 H new ATOM 0 HG3 GLU A 80 28.322 1.369 13.750 1.00 26.33 H new ATOM 1160 N MET A 81 30.169 -3.514 12.358 1.00 25.18 N ATOM 1161 CA MET A 81 31.132 -4.548 12.712 1.00 25.27 C ATOM 1162 C MET A 81 32.460 -3.866 13.020 1.00 25.77 C ATOM 1163 O MET A 81 33.028 -3.193 12.161 1.00 25.60 O ATOM 1164 CB MET A 81 31.299 -5.564 11.578 1.00 24.50 C ATOM 1165 CG MET A 81 32.338 -6.650 11.861 1.00 24.68 C ATOM 1166 SD MET A 81 32.687 -7.662 10.410 1.00 24.52 S ATOM 1167 CE MET A 81 33.970 -8.742 11.038 1.00 24.27 C ATOM 0 H MET A 81 30.303 -3.119 11.427 1.00 25.18 H new ATOM 0 HA MET A 81 30.776 -5.099 13.583 1.00 25.27 H new ATOM 0 HB2 MET A 81 30.337 -6.038 11.385 1.00 24.50 H new ATOM 0 HB3 MET A 81 31.582 -5.034 10.668 1.00 24.50 H new ATOM 0 HG2 MET A 81 33.261 -6.185 12.207 1.00 24.68 H new ATOM 0 HG3 MET A 81 31.981 -7.289 12.669 1.00 24.68 H new ATOM 0 HE1 MET A 81 34.287 -9.426 10.251 1.00 24.27 H new ATOM 0 HE2 MET A 81 34.821 -8.144 11.364 1.00 24.27 H new ATOM 0 HE3 MET A 81 33.584 -9.314 11.882 1.00 24.27 H new ATOM 1177 N LYS A 82 32.951 -4.018 14.238 1.00 26.46 N ATOM 1178 CA LYS A 82 34.137 -3.274 14.658 1.00 27.08 C ATOM 1179 C LYS A 82 35.041 -4.156 15.504 1.00 27.55 C ATOM 1180 O LYS A 82 34.597 -5.173 16.038 1.00 27.58 O ATOM 1181 CB LYS A 82 33.725 -2.002 15.435 1.00 27.79 C ATOM 1182 CG LYS A 82 32.900 -1.021 14.601 1.00 27.45 C ATOM 1183 CD LYS A 82 31.768 -0.398 15.402 1.00 28.23 C ATOM 1184 CE LYS A 82 32.264 0.441 16.563 1.00 28.14 C ATOM 1185 NZ LYS A 82 33.171 1.528 16.115 1.00 28.22 N ATOM 0 H LYS A 82 32.558 -4.638 14.947 1.00 26.46 H new ATOM 0 HA LYS A 82 34.692 -2.968 13.771 1.00 27.08 H new ATOM 0 HB2 LYS A 82 33.150 -2.293 16.314 1.00 27.79 H new ATOM 0 HB3 LYS A 82 34.622 -1.498 15.793 1.00 27.79 H new ATOM 0 HG2 LYS A 82 33.550 -0.233 14.221 1.00 27.45 H new ATOM 0 HG3 LYS A 82 32.488 -1.540 13.735 1.00 27.45 H new ATOM 0 HD2 LYS A 82 31.162 0.224 14.743 1.00 28.23 H new ATOM 0 HD3 LYS A 82 31.119 -1.188 15.781 1.00 28.23 H new ATOM 0 HE2 LYS A 82 31.412 0.873 17.088 1.00 28.14 H new ATOM 0 HE3 LYS A 82 32.787 -0.198 17.275 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 33.312 2.205 16.892 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 34.088 1.123 15.838 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 32.749 2.018 15.301 1.00 28.22 H new ATOM 1199 N TYR A 83 36.317 -3.806 15.577 1.00 27.96 N ATOM 1200 CA TYR A 83 37.267 -4.580 16.360 1.00 28.50 C ATOM 1201 C TYR A 83 37.673 -3.809 17.604 1.00 29.50 C ATOM 1202 O TYR A 83 37.668 -2.574 17.608 1.00 29.77 O ATOM 1203 CB TYR A 83 38.527 -4.881 15.528 1.00 28.32 C ATOM 1204 CG TYR A 83 38.245 -5.563 14.205 1.00 27.47 C ATOM 1205 CD1 TYR A 83 37.977 -6.925 14.159 1.00 27.19 C ATOM 1206 CD2 TYR A 83 38.260 -4.856 13.009 1.00 27.03 C ATOM 1207 CE1 TYR A 83 37.730 -7.564 12.960 1.00 26.48 C ATOM 1208 CE2 TYR A 83 38.010 -5.489 11.802 1.00 26.32 C ATOM 1209 CZ TYR A 83 37.706 -6.790 11.765 1.00 26.04 C ATOM 1210 OH TYR A 83 37.513 -7.479 10.584 1.00 25.39 O ATOM 0 H TYR A 83 36.716 -2.994 15.105 1.00 27.96 H new ATOM 0 HA TYR A 83 36.788 -5.516 16.648 1.00 28.50 H new ATOM 0 HB2 TYR A 83 39.056 -3.947 15.338 1.00 28.32 H new ATOM 0 HB3 TYR A 83 39.195 -5.512 16.115 1.00 28.32 H new ATOM 0 HD1 TYR A 83 37.962 -7.494 15.077 1.00 27.19 H new ATOM 0 HD2 TYR A 83 38.470 -3.797 13.020 1.00 27.03 H new ATOM 0 HE1 TYR A 83 37.558 -8.630 12.929 1.00 26.48 H new ATOM 0 HE2 TYR A 83 38.061 -4.926 10.882 1.00 26.32 H new ATOM 0 HH TYR A 83 37.514 -6.849 9.834 1.00 25.39 H new ATOM 1220 N THR A 84 37.986 -4.527 18.668 1.00 30.09 N ATOM 1221 CA THR A 84 38.469 -3.898 19.884 1.00 31.09 C ATOM 1222 C THR A 84 39.959 -3.605 19.714 1.00 31.47 C ATOM 1223 O THR A 84 40.540 -3.935 18.676 1.00 30.98 O ATOM 1224 CB THR A 84 38.247 -4.795 21.129 1.00 31.69 C ATOM 1225 OG1 THR A 84 39.164 -5.900 21.118 1.00 31.75 O ATOM 1226 CG2 THR A 84 36.831 -5.336 21.170 1.00 31.35 C ATOM 0 H THR A 84 37.915 -5.543 18.715 1.00 30.09 H new ATOM 0 HA THR A 84 37.909 -2.978 20.048 1.00 31.09 H new ATOM 0 HB THR A 84 38.418 -4.178 22.011 1.00 31.69 H new ATOM 0 HG1 THR A 84 39.014 -6.457 21.910 1.00 31.75 H new ATOM 0 HG21 THR A 84 36.706 -5.961 22.054 1.00 31.35 H new ATOM 0 HG22 THR A 84 36.125 -4.506 21.210 1.00 31.35 H new ATOM 0 HG23 THR A 84 36.642 -5.930 20.276 1.00 31.35 H new ATOM 1234 N SER A 85 40.601 -3.055 20.735 1.00 32.40 N ATOM 1235 CA SER A 85 42.026 -2.743 20.648 1.00 32.91 C ATOM 1236 C SER A 85 42.885 -3.999 20.845 1.00 33.07 C ATOM 1237 O SER A 85 44.115 -3.930 20.879 1.00 33.44 O ATOM 1238 CB SER A 85 42.387 -1.689 21.699 1.00 33.91 C ATOM 1239 OG SER A 85 41.955 -2.093 22.989 1.00 34.32 O ATOM 0 H SER A 85 40.166 -2.816 21.626 1.00 32.40 H new ATOM 0 HA SER A 85 42.231 -2.351 19.652 1.00 32.91 H new ATOM 0 HB2 SER A 85 43.465 -1.530 21.705 1.00 33.91 H new ATOM 0 HB3 SER A 85 41.926 -0.736 21.438 1.00 33.91 H new ATOM 0 HG SER A 85 42.453 -2.890 23.266 1.00 34.32 H new ATOM 1245 N GLU A 86 42.231 -5.152 20.889 1.00 32.82 N ATOM 1246 CA GLU A 86 42.912 -6.413 21.162 1.00 33.03 C ATOM 1247 C GLU A 86 42.839 -7.311 19.927 1.00 32.13 C ATOM 1248 O GLU A 86 43.379 -8.419 19.919 1.00 32.23 O ATOM 1249 CB GLU A 86 42.232 -7.115 22.355 1.00 33.61 C ATOM 1250 CG GLU A 86 41.862 -6.188 23.513 1.00 34.45 C ATOM 1251 CD GLU A 86 43.050 -5.492 24.146 1.00 34.93 C ATOM 1252 OE1 GLU A 86 43.809 -6.154 24.882 1.00 34.87 O ATOM 1253 OE2 GLU A 86 43.215 -4.274 23.931 1.00 35.43 O ATOM 0 H GLU A 86 41.226 -5.241 20.739 1.00 32.82 H new ATOM 0 HA GLU A 86 43.957 -6.218 21.404 1.00 33.03 H new ATOM 0 HB2 GLU A 86 41.328 -7.611 22.001 1.00 33.61 H new ATOM 0 HB3 GLU A 86 42.897 -7.894 22.729 1.00 33.61 H new ATOM 0 HG2 GLU A 86 41.162 -5.435 23.153 1.00 34.45 H new ATOM 0 HG3 GLU A 86 41.343 -6.767 24.277 1.00 34.45 H new ATOM 1260 N GLY A 87 42.155 -6.825 18.891 1.00 31.30 N ATOM 1261 CA GLY A 87 42.002 -7.602 17.669 1.00 30.42 C ATOM 1262 C GLY A 87 40.793 -8.524 17.696 1.00 30.02 C ATOM 1263 O GLY A 87 40.729 -9.495 16.939 1.00 29.44 O ATOM 0 H GLY A 87 41.705 -5.910 18.876 1.00 31.30 H new ATOM 0 HA2 GLY A 87 41.914 -6.922 16.822 1.00 30.42 H new ATOM 0 HA3 GLY A 87 42.901 -8.197 17.508 1.00 30.42 H new ATOM 1267 N VAL A 88 39.820 -8.212 18.552 1.00 30.40 N ATOM 1268 CA VAL A 88 38.629 -9.044 18.697 1.00 30.17 C ATOM 1269 C VAL A 88 37.407 -8.366 18.077 1.00 29.38 C ATOM 1270 O VAL A 88 37.135 -7.196 18.338 1.00 29.40 O ATOM 1271 CB VAL A 88 38.345 -9.368 20.181 1.00 31.05 C ATOM 1272 CG1 VAL A 88 37.154 -10.307 20.303 1.00 30.89 C ATOM 1273 CG2 VAL A 88 39.583 -9.964 20.844 1.00 31.86 C ATOM 0 H VAL A 88 39.835 -7.389 19.155 1.00 30.40 H new ATOM 0 HA VAL A 88 38.823 -9.977 18.168 1.00 30.17 H new ATOM 0 HB VAL A 88 38.098 -8.441 20.699 1.00 31.05 H new ATOM 0 HG11 VAL A 88 36.968 -10.524 21.355 1.00 30.89 H new ATOM 0 HG12 VAL A 88 36.273 -9.835 19.869 1.00 30.89 H new ATOM 0 HG13 VAL A 88 37.367 -11.235 19.773 1.00 30.89 H new ATOM 0 HG21 VAL A 88 39.365 -10.186 21.889 1.00 31.86 H new ATOM 0 HG22 VAL A 88 39.865 -10.882 20.329 1.00 31.86 H new ATOM 0 HG23 VAL A 88 40.405 -9.250 20.789 1.00 31.86 H new ATOM 1283 N ARG A 89 36.729 -9.095 17.200 1.00 28.74 N ATOM 1284 CA ARG A 89 35.543 -8.623 16.519 1.00 27.99 C ATOM 1285 C ARG A 89 34.349 -8.488 17.470 1.00 28.23 C ATOM 1286 O ARG A 89 34.170 -9.306 18.371 1.00 28.54 O ATOM 1287 CB ARG A 89 35.227 -9.635 15.411 1.00 27.21 C ATOM 1288 CG ARG A 89 33.974 -10.468 15.641 1.00 26.48 C ATOM 1289 CD ARG A 89 33.850 -11.578 14.619 1.00 25.83 C ATOM 1290 NE ARG A 89 33.393 -12.839 15.227 1.00 25.29 N ATOM 1291 CZ ARG A 89 32.114 -13.183 15.414 1.00 24.70 C ATOM 1292 NH1 ARG A 89 31.129 -12.375 15.030 1.00 24.55 N ATOM 1293 NH2 ARG A 89 31.828 -14.352 15.977 1.00 24.34 N ATOM 0 H ARG A 89 36.997 -10.045 16.942 1.00 28.74 H new ATOM 0 HA ARG A 89 35.726 -7.629 16.111 1.00 27.99 H new ATOM 0 HB2 ARG A 89 35.121 -9.098 14.468 1.00 27.21 H new ATOM 0 HB3 ARG A 89 36.077 -10.308 15.300 1.00 27.21 H new ATOM 0 HG2 ARG A 89 33.999 -10.896 16.643 1.00 26.48 H new ATOM 0 HG3 ARG A 89 33.095 -9.826 15.591 1.00 26.48 H new ATOM 0 HD2 ARG A 89 33.150 -11.277 13.840 1.00 25.83 H new ATOM 0 HD3 ARG A 89 34.815 -11.737 14.137 1.00 25.83 H new ATOM 0 HE ARG A 89 34.107 -13.502 15.529 1.00 25.29 H new ATOM 0 HH11 ARG A 89 31.345 -11.482 14.587 1.00 24.55 H new ATOM 0 HH12 ARG A 89 30.158 -12.649 15.178 1.00 24.55 H new ATOM 0 HH21 ARG A 89 32.581 -14.978 16.262 1.00 24.34 H new ATOM 0 HH22 ARG A 89 30.856 -14.623 16.124 1.00 24.34 H new ATOM 1307 N TYR A 90 33.561 -7.432 17.285 1.00 28.18 N ATOM 1308 CA TYR A 90 32.316 -7.251 18.024 1.00 28.46 C ATOM 1309 C TYR A 90 31.341 -6.453 17.159 1.00 27.80 C ATOM 1310 O TYR A 90 31.762 -5.806 16.196 1.00 27.31 O ATOM 1311 CB TYR A 90 32.546 -6.550 19.376 1.00 29.43 C ATOM 1312 CG TYR A 90 32.942 -5.087 19.297 1.00 29.57 C ATOM 1313 CD1 TYR A 90 34.264 -4.713 19.111 1.00 29.65 C ATOM 1314 CD2 TYR A 90 31.993 -4.080 19.436 1.00 29.70 C ATOM 1315 CE1 TYR A 90 34.633 -3.381 19.061 1.00 29.86 C ATOM 1316 CE2 TYR A 90 32.354 -2.746 19.385 1.00 29.91 C ATOM 1317 CZ TYR A 90 33.674 -2.401 19.199 1.00 30.05 C ATOM 1318 OH TYR A 90 34.033 -1.072 19.149 1.00 30.27 O ATOM 0 H TYR A 90 33.766 -6.683 16.624 1.00 28.18 H new ATOM 0 HA TYR A 90 31.897 -8.232 18.248 1.00 28.46 H new ATOM 0 HB2 TYR A 90 31.633 -6.629 19.966 1.00 29.43 H new ATOM 0 HB3 TYR A 90 33.323 -7.090 19.917 1.00 29.43 H new ATOM 0 HD1 TYR A 90 35.020 -5.476 19.003 1.00 29.65 H new ATOM 0 HD2 TYR A 90 30.957 -4.344 19.586 1.00 29.70 H new ATOM 0 HE1 TYR A 90 35.668 -3.110 18.914 1.00 29.86 H new ATOM 0 HE2 TYR A 90 31.603 -1.977 19.491 1.00 29.91 H new ATOM 0 HH TYR A 90 34.818 -0.967 18.571 1.00 30.27 H new ATOM 1328 N PHE A 91 30.047 -6.532 17.446 1.00 27.84 N ATOM 1329 CA PHE A 91 29.076 -5.803 16.658 1.00 27.29 C ATOM 1330 C PHE A 91 28.315 -4.815 17.523 1.00 27.91 C ATOM 1331 O PHE A 91 28.126 -5.029 18.724 1.00 28.69 O ATOM 1332 CB PHE A 91 28.095 -6.754 15.968 1.00 26.81 C ATOM 1333 CG PHE A 91 28.741 -7.705 14.987 1.00 26.08 C ATOM 1334 CD1 PHE A 91 29.132 -8.988 15.365 1.00 25.34 C ATOM 1335 CD2 PHE A 91 28.948 -7.315 13.669 1.00 26.22 C ATOM 1336 CE1 PHE A 91 29.707 -9.845 14.450 1.00 24.76 C ATOM 1337 CE2 PHE A 91 29.525 -8.177 12.759 1.00 25.66 C ATOM 1338 CZ PHE A 91 29.903 -9.440 13.150 1.00 24.89 C ATOM 0 H PHE A 91 29.656 -7.086 18.208 1.00 27.84 H new ATOM 0 HA PHE A 91 29.622 -5.255 15.890 1.00 27.29 H new ATOM 0 HB2 PHE A 91 27.573 -7.334 16.729 1.00 26.81 H new ATOM 0 HB3 PHE A 91 27.343 -6.165 15.444 1.00 26.81 H new ATOM 0 HD1 PHE A 91 28.983 -9.314 16.384 1.00 25.34 H new ATOM 0 HD2 PHE A 91 28.654 -6.325 13.353 1.00 26.22 H new ATOM 0 HE1 PHE A 91 30.004 -10.837 14.755 1.00 24.76 H new ATOM 0 HE2 PHE A 91 29.680 -7.859 11.738 1.00 25.66 H new ATOM 0 HZ PHE A 91 30.354 -10.114 12.437 1.00 24.89 H new ATOM 1348 N VAL A 92 27.897 -3.724 16.913 1.00 27.61 N ATOM 1349 CA VAL A 92 27.144 -2.702 17.615 1.00 28.23 C ATOM 1350 C VAL A 92 25.701 -2.710 17.150 1.00 27.94 C ATOM 1351 O VAL A 92 25.439 -2.490 15.965 1.00 27.26 O ATOM 1352 CB VAL A 92 27.720 -1.291 17.362 1.00 28.37 C ATOM 1353 CG1 VAL A 92 26.983 -0.227 18.158 1.00 29.13 C ATOM 1354 CG2 VAL A 92 29.186 -1.237 17.694 1.00 28.67 C ATOM 0 H VAL A 92 28.067 -3.521 15.928 1.00 27.61 H new ATOM 0 HA VAL A 92 27.211 -2.929 18.679 1.00 28.23 H new ATOM 0 HB VAL A 92 27.584 -1.084 16.301 1.00 28.37 H new ATOM 0 HG11 VAL A 92 27.420 0.750 17.951 1.00 29.13 H new ATOM 0 HG12 VAL A 92 25.931 -0.222 17.872 1.00 29.13 H new ATOM 0 HG13 VAL A 92 27.069 -0.444 19.223 1.00 29.13 H new ATOM 0 HG21 VAL A 92 29.565 -0.232 17.506 1.00 28.67 H new ATOM 0 HG22 VAL A 92 29.331 -1.489 18.745 1.00 28.67 H new ATOM 0 HG23 VAL A 92 29.726 -1.950 17.072 1.00 28.67 H new ATOM 1364 N ASP A 93 24.771 -3.012 18.044 1.00 28.50 N ATOM 1365 CA ASP A 93 23.365 -2.924 17.678 1.00 28.42 C ATOM 1366 C ASP A 93 22.923 -1.475 17.841 1.00 28.86 C ATOM 1367 O ASP A 93 23.202 -0.850 18.869 1.00 29.70 O ATOM 1368 CB ASP A 93 22.458 -3.824 18.525 1.00 29.01 C ATOM 1369 CG ASP A 93 21.013 -3.434 18.328 1.00 28.68 C ATOM 1370 OD1 ASP A 93 20.375 -2.974 19.294 1.00 28.33 O ATOM 1371 OD2 ASP A 93 20.495 -3.637 17.220 1.00 28.82 O ATOM 0 H ASP A 93 24.955 -3.312 19.001 1.00 28.50 H new ATOM 0 HA ASP A 93 23.270 -3.267 16.648 1.00 28.42 H new ATOM 0 HB2 ASP A 93 22.603 -4.867 18.244 1.00 29.01 H new ATOM 0 HB3 ASP A 93 22.726 -3.737 19.578 1.00 29.01 H new ATOM 1376 N HIS A 94 22.219 -0.941 16.857 1.00 28.36 N ATOM 1377 CA HIS A 94 21.841 0.458 16.884 1.00 28.81 C ATOM 1378 C HIS A 94 20.488 0.697 17.573 1.00 29.31 C ATOM 1379 O HIS A 94 20.205 1.815 17.989 1.00 29.90 O ATOM 1380 CB HIS A 94 21.788 1.008 15.454 1.00 28.18 C ATOM 1381 CG HIS A 94 20.762 0.338 14.584 1.00 28.49 C ATOM 1382 ND1 HIS A 94 20.997 -0.853 13.927 1.00 28.32 N ATOM 1383 CD2 HIS A 94 19.488 0.686 14.278 1.00 29.05 C ATOM 1384 CE1 HIS A 94 19.915 -1.206 13.257 1.00 28.75 C ATOM 1385 NE2 HIS A 94 18.987 -0.291 13.452 1.00 29.20 N ATOM 0 H HIS A 94 21.900 -1.453 16.035 1.00 28.36 H new ATOM 0 HA HIS A 94 22.599 0.981 17.467 1.00 28.81 H new ATOM 0 HB2 HIS A 94 21.576 2.076 15.493 1.00 28.18 H new ATOM 0 HB3 HIS A 94 22.770 0.895 14.995 1.00 28.18 H new ATOM 0 HD2 HIS A 94 18.965 1.567 14.620 1.00 29.05 H new ATOM 0 HE1 HIS A 94 19.809 -2.094 12.652 1.00 28.75 H new ATOM 0 HE2 HIS A 94 18.048 -0.306 13.054 1.00 29.20 H new ATOM 1394 N ASN A 95 19.642 -0.333 17.679 1.00 29.17 N ATOM 1395 CA ASN A 95 18.294 -0.127 18.215 1.00 29.71 C ATOM 1396 C ASN A 95 18.286 -0.120 19.743 1.00 30.73 C ATOM 1397 O ASN A 95 17.559 0.662 20.355 1.00 31.42 O ATOM 1398 CB ASN A 95 17.295 -1.168 17.646 1.00 29.28 C ATOM 1399 CG ASN A 95 17.122 -2.414 18.500 1.00 29.19 C ATOM 1400 OD1 ASN A 95 16.265 -2.463 19.382 1.00 29.80 O ATOM 1401 ND2 ASN A 95 17.917 -3.434 18.239 1.00 28.49 N ATOM 0 H ASN A 95 19.858 -1.292 17.409 1.00 29.17 H new ATOM 0 HA ASN A 95 17.963 0.859 17.889 1.00 29.71 H new ATOM 0 HB2 ASN A 95 16.323 -0.690 17.524 1.00 29.28 H new ATOM 0 HB3 ASN A 95 17.630 -1.468 16.653 1.00 29.28 H new ATOM 0 HD21 ASN A 95 17.832 -4.297 18.776 1.00 28.49 H new ATOM 0 HD22 ASN A 95 18.617 -3.359 17.501 1.00 28.49 H new ATOM 1408 N THR A 96 19.130 -0.940 20.359 1.00 30.87 N ATOM 1409 CA THR A 96 19.232 -0.971 21.813 1.00 31.86 C ATOM 1410 C THR A 96 20.471 -0.209 22.259 1.00 32.23 C ATOM 1411 O THR A 96 20.610 0.151 23.430 1.00 33.14 O ATOM 1412 CB THR A 96 19.309 -2.412 22.372 1.00 31.96 C ATOM 1413 OG1 THR A 96 20.431 -3.104 21.814 1.00 31.19 O ATOM 1414 CG2 THR A 96 18.036 -3.193 22.084 1.00 32.02 C ATOM 0 H THR A 96 19.751 -1.590 19.877 1.00 30.87 H new ATOM 0 HA THR A 96 18.327 -0.505 22.204 1.00 31.86 H new ATOM 0 HB THR A 96 19.427 -2.336 23.453 1.00 31.96 H new ATOM 0 HG1 THR A 96 20.355 -3.116 20.837 1.00 31.19 H new ATOM 0 HG21 THR A 96 18.127 -4.200 22.491 1.00 32.02 H new ATOM 0 HG22 THR A 96 17.188 -2.689 22.547 1.00 32.02 H new ATOM 0 HG23 THR A 96 17.880 -3.250 21.007 1.00 32.02 H new ATOM 1422 N ARG A 97 21.326 0.088 21.282 1.00 31.56 N ATOM 1423 CA ARG A 97 22.606 0.758 21.521 1.00 31.87 C ATOM 1424 C ARG A 97 23.449 -0.039 22.499 1.00 32.27 C ATOM 1425 O ARG A 97 23.595 0.315 23.672 1.00 33.03 O ATOM 1426 CB ARG A 97 22.422 2.193 22.006 1.00 32.70 C ATOM 1427 CG ARG A 97 21.939 3.126 20.914 1.00 32.43 C ATOM 1428 CD ARG A 97 22.272 4.567 21.238 1.00 33.36 C ATOM 1429 NE ARG A 97 23.720 4.772 21.369 1.00 33.97 N ATOM 1430 CZ ARG A 97 24.303 5.966 21.461 1.00 34.73 C ATOM 1431 NH1 ARG A 97 23.563 7.064 21.435 1.00 35.00 N ATOM 1432 NH2 ARG A 97 25.627 6.053 21.590 1.00 35.29 N ATOM 0 H ARG A 97 21.152 -0.129 20.301 1.00 31.56 H new ATOM 0 HA ARG A 97 23.130 0.809 20.567 1.00 31.87 H new ATOM 0 HB2 ARG A 97 21.708 2.204 22.829 1.00 32.70 H new ATOM 0 HB3 ARG A 97 23.369 2.562 22.400 1.00 32.70 H new ATOM 0 HG2 ARG A 97 22.398 2.848 19.965 1.00 32.43 H new ATOM 0 HG3 ARG A 97 20.861 3.018 20.790 1.00 32.43 H new ATOM 0 HD2 ARG A 97 21.882 5.216 20.454 1.00 33.36 H new ATOM 0 HD3 ARG A 97 21.778 4.855 22.166 1.00 33.36 H new ATOM 0 HE ARG A 97 24.318 3.946 21.391 1.00 33.97 H new ATOM 0 HH11 ARG A 97 22.549 6.994 21.345 1.00 35.00 H new ATOM 0 HH12 ARG A 97 24.007 7.980 21.505 1.00 35.00 H new ATOM 0 HH21 ARG A 97 26.193 5.205 21.618 1.00 35.29 H new ATOM 0 HH22 ARG A 97 26.074 6.967 21.660 1.00 35.29 H new ATOM 1446 N THR A 98 24.005 -1.116 21.992 1.00 31.75 N ATOM 1447 CA THR A 98 24.783 -2.031 22.800 1.00 32.09 C ATOM 1448 C THR A 98 25.966 -2.577 22.009 1.00 31.35 C ATOM 1449 O THR A 98 26.033 -2.431 20.787 1.00 30.48 O ATOM 1450 CB THR A 98 23.908 -3.219 23.274 1.00 32.35 C ATOM 1451 OG1 THR A 98 24.539 -3.869 24.387 1.00 32.15 O ATOM 1452 CG2 THR A 98 23.687 -4.234 22.141 1.00 32.59 C ATOM 0 H THR A 98 23.932 -1.383 21.010 1.00 31.75 H new ATOM 0 HA THR A 98 25.149 -1.478 23.665 1.00 32.09 H new ATOM 0 HB THR A 98 22.937 -2.828 23.576 1.00 32.35 H new ATOM 0 HG1 THR A 98 23.983 -4.619 24.686 1.00 32.15 H new ATOM 0 HG21 THR A 98 23.070 -5.056 22.504 1.00 32.59 H new ATOM 0 HG22 THR A 98 23.185 -3.744 21.307 1.00 32.59 H new ATOM 0 HG23 THR A 98 24.649 -4.623 21.808 1.00 32.59 H new ATOM 1460 N THR A 99 26.871 -3.237 22.711 1.00 31.74 N ATOM 1461 CA THR A 99 28.021 -3.861 22.087 1.00 31.18 C ATOM 1462 C THR A 99 27.884 -5.375 22.265 1.00 31.15 C ATOM 1463 O THR A 99 28.127 -5.897 23.354 1.00 31.92 O ATOM 1464 CB THR A 99 29.339 -3.350 22.728 1.00 31.73 C ATOM 1465 OG1 THR A 99 29.234 -3.421 24.161 1.00 32.77 O ATOM 1466 CG2 THR A 99 29.618 -1.894 22.321 1.00 31.59 C ATOM 0 H THR A 99 26.829 -3.354 23.723 1.00 31.74 H new ATOM 0 HA THR A 99 28.058 -3.608 21.027 1.00 31.18 H new ATOM 0 HB THR A 99 30.157 -3.978 22.376 1.00 31.73 H new ATOM 0 HG1 THR A 99 28.854 -4.287 24.419 1.00 32.77 H new ATOM 0 HG21 THR A 99 30.547 -1.559 22.783 1.00 31.59 H new ATOM 0 HG22 THR A 99 29.708 -1.830 21.237 1.00 31.59 H new ATOM 0 HG23 THR A 99 28.797 -1.259 22.655 1.00 31.59 H new ATOM 1474 N THR A 100 27.456 -6.075 21.221 1.00 30.32 N ATOM 1475 CA THR A 100 27.145 -7.484 21.363 1.00 30.31 C ATOM 1476 C THR A 100 28.017 -8.353 20.461 1.00 29.79 C ATOM 1477 O THR A 100 28.531 -7.899 19.436 1.00 29.19 O ATOM 1478 CB THR A 100 25.641 -7.758 21.076 1.00 29.94 C ATOM 1479 OG1 THR A 100 25.310 -9.112 21.417 1.00 30.23 O ATOM 1480 CG2 THR A 100 25.284 -7.510 19.606 1.00 28.90 C ATOM 0 H THR A 100 27.320 -5.695 20.284 1.00 30.32 H new ATOM 0 HA THR A 100 27.359 -7.752 22.398 1.00 30.31 H new ATOM 0 HB THR A 100 25.065 -7.065 21.690 1.00 29.94 H new ATOM 0 HG1 THR A 100 24.361 -9.273 21.234 1.00 30.23 H new ATOM 0 HG21 THR A 100 24.225 -7.713 19.450 1.00 28.90 H new ATOM 0 HG22 THR A 100 25.496 -6.472 19.350 1.00 28.90 H new ATOM 0 HG23 THR A 100 25.877 -8.168 18.971 1.00 28.90 H new ATOM 1488 N PHE A 101 28.225 -9.587 20.887 1.00 30.11 N ATOM 1489 CA PHE A 101 28.991 -10.548 20.121 1.00 29.74 C ATOM 1490 C PHE A 101 28.042 -11.566 19.504 1.00 29.28 C ATOM 1491 O PHE A 101 27.572 -12.469 20.192 1.00 29.75 O ATOM 1492 CB PHE A 101 29.991 -11.276 21.021 1.00 30.55 C ATOM 1493 CG PHE A 101 31.132 -10.417 21.497 1.00 30.86 C ATOM 1494 CD1 PHE A 101 32.383 -10.539 20.916 1.00 30.67 C ATOM 1495 CD2 PHE A 101 30.958 -9.490 22.516 1.00 31.41 C ATOM 1496 CE1 PHE A 101 33.441 -9.756 21.342 1.00 31.03 C ATOM 1497 CE2 PHE A 101 32.013 -8.706 22.945 1.00 31.76 C ATOM 1498 CZ PHE A 101 33.253 -8.838 22.356 1.00 31.57 C ATOM 0 H PHE A 101 27.868 -9.948 21.772 1.00 30.11 H new ATOM 0 HA PHE A 101 29.538 -10.020 19.340 1.00 29.74 H new ATOM 0 HB2 PHE A 101 29.462 -11.671 21.888 1.00 30.55 H new ATOM 0 HB3 PHE A 101 30.396 -12.130 20.479 1.00 30.55 H new ATOM 0 HD1 PHE A 101 32.535 -11.254 20.121 1.00 30.67 H new ATOM 0 HD2 PHE A 101 29.988 -9.380 22.978 1.00 31.41 H new ATOM 0 HE1 PHE A 101 34.412 -9.863 20.882 1.00 31.03 H new ATOM 0 HE2 PHE A 101 31.866 -7.991 23.741 1.00 31.76 H new ATOM 0 HZ PHE A 101 34.077 -8.223 22.688 1.00 31.57 H new