USER MOD reduce.3.24.130724 H: found=0, std=0, add=1153, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1153 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 72 SER OG : rot 164:sc= 0.0988 USER MOD Set 1.2: A 102 TYR OH : rot -167:sc= 0.507 USER MOD Set 2.1: A 27 TYR OH : rot 15:sc= 0.883 USER MOD Set 2.2: A 53 LYS NZ :NH3+ -112:sc= 1.31 (180deg=-0.281) USER MOD Set 3.1: A 9 THR OG1 : rot 48:sc= -0.0709 USER MOD Set 3.2: A 83 GLN : amide:sc= -0.849 K(o=-0.92,f=-4.9!) USER MOD Set 4.1: A 8 ASN : amide:sc= 0.679 K(o=2.5,f=-8.2!) USER MOD Set 4.2: A 10 ASN : amide:sc=-0.00451 K(o=2.5,f=0.049) USER MOD Set 4.3: A 61 LYS NZ :NH3+ 133:sc= 1.85 (180deg=-0.903) USER MOD Set 5.1: A 2 LYS NZ :NH3+ -159:sc= 0.805 (180deg=0.422) USER MOD Set 5.2: A 76 TYR OH : rot -154:sc= 0.151 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.25 (180deg=-0.578) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.102 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.25) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= 1.12 (180deg=0.142) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 136:sc= 0.658 (180deg=-0.00608) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 25 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.095) USER MOD Single : A 28 GLN : amide:sc= -3.39! K(o=-3.4!,f=-2.2) USER MOD Single : A 33 ASN : amide:sc= 0.109 X(o=0.11,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00428 USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= 0.0867 (180deg=0.0611) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -151:sc= -0.0667 (180deg=-1.18) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0458) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 0.567 (180deg=0.482) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 58 SER OG : rot -97:sc= 0.184 USER MOD Single : A 59 ASN : amide:sc= -0.322 K(o=-0.32,f=-5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= -0.0072 (180deg=-0.128) USER MOD Single : A 67 MET CE :methyl 133:sc= -0.175 (180deg=-1.31) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0137) USER MOD Single : A 77 LYS NZ :NH3+ -152:sc= 0.263 (180deg=0.0373) USER MOD Single : A 85 GLN : amide:sc= -0.503 K(o=-0.5,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= 0.679 (180deg=0.38) USER MOD Single : A 96 LYS NZ :NH3+ -131:sc= 0.312 (180deg=-0.0448) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.39) USER MOD Single : A 106 LYS NZ :NH3+ 159:sc= 0.0494 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 172:sc= 0.34 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl -147:sc= -0.402 (180deg=-1.45) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 157:sc= -0.126 (180deg=-0.566) USER MOD Single : A 126 SER OG : rot 99:sc= 0.873 USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.323 X(o=-0.32,f=0.049) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 134 HIS : no HD1:sc=-0.00868 X(o=-0.0087,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.012 8.428 6.168 1.00 41.23 N ATOM 2 CA MET A 1 -13.662 8.643 5.584 1.00 14.30 C ATOM 3 C MET A 1 -13.217 7.371 4.842 1.00 51.12 C ATOM 4 O MET A 1 -13.742 6.283 5.104 1.00 32.53 O ATOM 5 CB MET A 1 -12.652 9.026 6.709 1.00 72.23 C ATOM 6 CG MET A 1 -11.225 9.367 6.238 1.00 42.30 C ATOM 7 SD MET A 1 -10.148 9.919 7.583 1.00 2.34 S ATOM 8 CE MET A 1 -10.158 8.486 8.653 1.00 32.01 C ATOM 0 H1 MET A 1 -15.697 9.056 5.700 1.00 41.23 H new ATOM 0 H2 MET A 1 -15.298 7.438 6.027 1.00 41.23 H new ATOM 0 H3 MET A 1 -14.988 8.640 7.186 1.00 41.23 H new ATOM 0 HA MET A 1 -13.695 9.465 4.869 1.00 14.30 H new ATOM 0 HB2 MET A 1 -13.050 9.883 7.253 1.00 72.23 H new ATOM 0 HB3 MET A 1 -12.593 8.199 7.416 1.00 72.23 H new ATOM 0 HG2 MET A 1 -10.785 8.489 5.765 1.00 42.30 H new ATOM 0 HG3 MET A 1 -11.276 10.147 5.478 1.00 42.30 H new ATOM 0 HE1 MET A 1 -9.266 8.494 9.280 1.00 32.01 H new ATOM 0 HE2 MET A 1 -11.046 8.510 9.285 1.00 32.01 H new ATOM 0 HE3 MET A 1 -10.168 7.580 8.047 1.00 32.01 H new ATOM 20 N LYS A 2 -12.291 7.520 3.886 1.00 60.31 N ATOM 21 CA LYS A 2 -11.626 6.398 3.214 1.00 71.44 C ATOM 22 C LYS A 2 -10.110 6.579 3.306 1.00 23.55 C ATOM 23 O LYS A 2 -9.590 7.701 3.276 1.00 73.32 O ATOM 24 CB LYS A 2 -12.065 6.269 1.727 1.00 4.21 C ATOM 25 CG LYS A 2 -13.457 5.630 1.518 1.00 70.11 C ATOM 26 CD LYS A 2 -13.871 5.600 0.023 1.00 0.33 C ATOM 27 CE LYS A 2 -12.853 4.884 -0.881 1.00 1.44 C ATOM 28 NZ LYS A 2 -13.251 4.929 -2.318 1.00 24.44 N ATOM 0 H LYS A 2 -11.980 8.433 3.554 1.00 60.31 H new ATOM 0 HA LYS A 2 -11.920 5.477 3.718 1.00 71.44 H new ATOM 0 HB2 LYS A 2 -12.064 7.261 1.275 1.00 4.21 H new ATOM 0 HB3 LYS A 2 -11.323 5.674 1.194 1.00 4.21 H new ATOM 0 HG2 LYS A 2 -13.451 4.614 1.912 1.00 70.11 H new ATOM 0 HG3 LYS A 2 -14.200 6.188 2.088 1.00 70.11 H new ATOM 0 HD2 LYS A 2 -14.838 5.105 -0.068 1.00 0.33 H new ATOM 0 HD3 LYS A 2 -14.002 6.623 -0.330 1.00 0.33 H new ATOM 0 HE2 LYS A 2 -11.874 5.347 -0.762 1.00 1.44 H new ATOM 0 HE3 LYS A 2 -12.755 3.846 -0.565 1.00 1.44 H new ATOM 0 HZ1 LYS A 2 -12.768 4.167 -2.836 1.00 24.44 H new ATOM 0 HZ2 LYS A 2 -14.280 4.803 -2.397 1.00 24.44 H new ATOM 0 HZ3 LYS A 2 -12.983 5.848 -2.724 1.00 24.44 H new ATOM 42 N GLU A 3 -9.435 5.442 3.433 1.00 54.45 N ATOM 43 CA GLU A 3 -7.974 5.330 3.483 1.00 51.23 C ATOM 44 C GLU A 3 -7.556 4.280 2.446 1.00 14.21 C ATOM 45 O GLU A 3 -8.288 3.307 2.210 1.00 41.51 O ATOM 46 CB GLU A 3 -7.455 4.901 4.900 1.00 44.52 C ATOM 47 CG GLU A 3 -8.005 5.705 6.118 1.00 55.23 C ATOM 48 CD GLU A 3 -9.251 5.078 6.786 1.00 14.42 C ATOM 49 OE1 GLU A 3 -10.393 5.392 6.378 1.00 34.21 O ATOM 50 OE2 GLU A 3 -9.093 4.264 7.736 1.00 24.45 O ATOM 0 H GLU A 3 -9.903 4.539 3.507 1.00 54.45 H new ATOM 0 HA GLU A 3 -7.539 6.306 3.269 1.00 51.23 H new ATOM 0 HB2 GLU A 3 -7.699 3.849 5.048 1.00 44.52 H new ATOM 0 HB3 GLU A 3 -6.368 4.980 4.903 1.00 44.52 H new ATOM 0 HG2 GLU A 3 -7.215 5.797 6.864 1.00 55.23 H new ATOM 0 HG3 GLU A 3 -8.253 6.714 5.790 1.00 55.23 H new ATOM 57 N LEU A 4 -6.417 4.483 1.798 1.00 72.10 N ATOM 58 CA LEU A 4 -5.854 3.504 0.859 1.00 65.15 C ATOM 59 C LEU A 4 -4.426 3.192 1.307 1.00 33.24 C ATOM 60 O LEU A 4 -3.555 4.063 1.256 1.00 62.35 O ATOM 61 CB LEU A 4 -5.873 4.022 -0.613 1.00 21.31 C ATOM 62 CG LEU A 4 -7.228 3.950 -1.410 1.00 34.23 C ATOM 63 CD1 LEU A 4 -7.747 2.501 -1.521 1.00 40.13 C ATOM 64 CD2 LEU A 4 -8.310 4.893 -0.844 1.00 33.14 C ATOM 0 H LEU A 4 -5.853 5.327 1.903 1.00 72.10 H new ATOM 0 HA LEU A 4 -6.466 2.602 0.871 1.00 65.15 H new ATOM 0 HB2 LEU A 4 -5.547 5.062 -0.604 1.00 21.31 H new ATOM 0 HB3 LEU A 4 -5.127 3.459 -1.174 1.00 21.31 H new ATOM 0 HG LEU A 4 -7.006 4.304 -2.417 1.00 34.23 H new ATOM 0 HD11 LEU A 4 -8.684 2.492 -2.078 1.00 40.13 H new ATOM 0 HD12 LEU A 4 -7.010 1.889 -2.041 1.00 40.13 H new ATOM 0 HD13 LEU A 4 -7.914 2.097 -0.523 1.00 40.13 H new ATOM 0 HD21 LEU A 4 -9.221 4.798 -1.435 1.00 33.14 H new ATOM 0 HD22 LEU A 4 -8.520 4.625 0.192 1.00 33.14 H new ATOM 0 HD23 LEU A 4 -7.954 5.922 -0.888 1.00 33.14 H new ATOM 76 N ILE A 5 -4.209 1.957 1.769 1.00 20.23 N ATOM 77 CA ILE A 5 -2.878 1.469 2.158 1.00 34.55 C ATOM 78 C ILE A 5 -2.293 0.669 0.986 1.00 3.54 C ATOM 79 O ILE A 5 -2.927 -0.262 0.488 1.00 75.33 O ATOM 80 CB ILE A 5 -2.916 0.598 3.476 1.00 52.41 C ATOM 81 CG1 ILE A 5 -1.528 -0.061 3.773 1.00 40.32 C ATOM 82 CG2 ILE A 5 -4.042 -0.449 3.437 1.00 33.14 C ATOM 83 CD1 ILE A 5 -1.473 -0.917 5.034 1.00 25.41 C ATOM 0 H ILE A 5 -4.950 1.265 1.885 1.00 20.23 H new ATOM 0 HA ILE A 5 -2.243 2.326 2.383 1.00 34.55 H new ATOM 0 HB ILE A 5 -3.136 1.276 4.301 1.00 52.41 H new ATOM 0 HG12 ILE A 5 -1.247 -0.680 2.921 1.00 40.32 H new ATOM 0 HG13 ILE A 5 -0.779 0.727 3.855 1.00 40.32 H new ATOM 0 HG21 ILE A 5 -4.034 -1.027 4.361 1.00 33.14 H new ATOM 0 HG22 ILE A 5 -5.003 0.054 3.332 1.00 33.14 H new ATOM 0 HG23 ILE A 5 -3.888 -1.118 2.590 1.00 33.14 H new ATOM 0 HD11 ILE A 5 -0.470 -1.328 5.151 1.00 25.41 H new ATOM 0 HD12 ILE A 5 -1.717 -0.303 5.901 1.00 25.41 H new ATOM 0 HD13 ILE A 5 -2.192 -1.732 4.952 1.00 25.41 H new ATOM 95 N LEU A 6 -1.104 1.068 0.532 1.00 43.12 N ATOM 96 CA LEU A 6 -0.396 0.407 -0.563 1.00 40.54 C ATOM 97 C LEU A 6 0.719 -0.439 0.045 1.00 44.24 C ATOM 98 O LEU A 6 1.565 0.088 0.765 1.00 32.53 O ATOM 99 CB LEU A 6 0.198 1.438 -1.568 1.00 40.35 C ATOM 100 CG LEU A 6 -0.812 2.359 -2.337 1.00 33.12 C ATOM 101 CD1 LEU A 6 -1.452 3.422 -1.421 1.00 73.31 C ATOM 102 CD2 LEU A 6 -0.127 3.017 -3.551 1.00 13.42 C ATOM 0 H LEU A 6 -0.601 1.867 0.918 1.00 43.12 H new ATOM 0 HA LEU A 6 -1.095 -0.216 -1.122 1.00 40.54 H new ATOM 0 HB2 LEU A 6 0.891 2.079 -1.023 1.00 40.35 H new ATOM 0 HB3 LEU A 6 0.784 0.890 -2.306 1.00 40.35 H new ATOM 0 HG LEU A 6 -1.622 1.723 -2.694 1.00 33.12 H new ATOM 0 HD11 LEU A 6 -2.143 4.034 -2.001 1.00 73.31 H new ATOM 0 HD12 LEU A 6 -1.994 2.928 -0.614 1.00 73.31 H new ATOM 0 HD13 LEU A 6 -0.672 4.056 -0.999 1.00 73.31 H new ATOM 0 HD21 LEU A 6 -0.843 3.652 -4.073 1.00 13.42 H new ATOM 0 HD22 LEU A 6 0.714 3.621 -3.211 1.00 13.42 H new ATOM 0 HD23 LEU A 6 0.233 2.243 -4.229 1.00 13.42 H new ATOM 114 N ILE A 7 0.698 -1.746 -0.222 1.00 15.45 N ATOM 115 CA ILE A 7 1.740 -2.677 0.231 1.00 25.34 C ATOM 116 C ILE A 7 2.707 -2.912 -0.935 1.00 42.23 C ATOM 117 O ILE A 7 2.281 -3.033 -2.079 1.00 4.12 O ATOM 118 CB ILE A 7 1.154 -4.062 0.745 1.00 13.02 C ATOM 119 CG1 ILE A 7 0.404 -3.916 2.114 1.00 62.12 C ATOM 120 CG2 ILE A 7 2.269 -5.123 0.875 1.00 43.44 C ATOM 121 CD1 ILE A 7 -0.891 -3.137 2.057 1.00 11.44 C ATOM 0 H ILE A 7 -0.044 -2.193 -0.760 1.00 15.45 H new ATOM 0 HA ILE A 7 2.251 -2.230 1.084 1.00 25.34 H new ATOM 0 HB ILE A 7 0.432 -4.390 -0.003 1.00 13.02 H new ATOM 0 HG12 ILE A 7 0.194 -4.912 2.503 1.00 62.12 H new ATOM 0 HG13 ILE A 7 1.071 -3.430 2.826 1.00 62.12 H new ATOM 0 HG21 ILE A 7 1.840 -6.060 1.228 1.00 43.44 H new ATOM 0 HG22 ILE A 7 2.736 -5.281 -0.097 1.00 43.44 H new ATOM 0 HG23 ILE A 7 3.020 -4.777 1.586 1.00 43.44 H new ATOM 0 HD11 ILE A 7 -1.333 -3.092 3.052 1.00 11.44 H new ATOM 0 HD12 ILE A 7 -0.692 -2.126 1.702 1.00 11.44 H new ATOM 0 HD13 ILE A 7 -1.583 -3.631 1.375 1.00 11.44 H new ATOM 133 N ASN A 8 4.003 -2.953 -0.630 1.00 1.30 N ATOM 134 CA ASN A 8 5.053 -3.233 -1.598 1.00 0.20 C ATOM 135 C ASN A 8 5.850 -4.429 -1.108 1.00 75.51 C ATOM 136 O ASN A 8 6.515 -4.352 -0.071 1.00 65.23 O ATOM 137 CB ASN A 8 5.982 -2.025 -1.758 1.00 51.33 C ATOM 138 CG ASN A 8 7.087 -2.235 -2.799 1.00 63.41 C ATOM 139 OD1 ASN A 8 8.237 -1.887 -2.562 1.00 72.13 O ATOM 140 ND2 ASN A 8 6.736 -2.749 -3.976 1.00 74.34 N ATOM 0 H ASN A 8 4.355 -2.789 0.313 1.00 1.30 H new ATOM 0 HA ASN A 8 4.603 -3.445 -2.568 1.00 0.20 H new ATOM 0 HB2 ASN A 8 5.388 -1.156 -2.041 1.00 51.33 H new ATOM 0 HB3 ASN A 8 6.440 -1.799 -0.795 1.00 51.33 H new ATOM 0 HD21 ASN A 8 7.434 -2.862 -4.711 1.00 74.34 H new ATOM 0 HD22 ASN A 8 5.769 -3.029 -4.142 1.00 74.34 H new ATOM 147 N THR A 9 5.745 -5.529 -1.838 1.00 21.42 N ATOM 148 CA THR A 9 6.507 -6.741 -1.575 1.00 53.21 C ATOM 149 C THR A 9 6.863 -7.404 -2.901 1.00 14.31 C ATOM 150 O THR A 9 6.009 -7.562 -3.784 1.00 4.11 O ATOM 151 CB THR A 9 5.743 -7.723 -0.627 1.00 22.21 C ATOM 152 OG1 THR A 9 6.382 -9.014 -0.625 1.00 23.01 O ATOM 153 CG2 THR A 9 4.258 -7.857 -0.987 1.00 64.40 C ATOM 0 H THR A 9 5.120 -5.606 -2.640 1.00 21.42 H new ATOM 0 HA THR A 9 7.424 -6.470 -1.052 1.00 53.21 H new ATOM 0 HB THR A 9 5.786 -7.298 0.376 1.00 22.21 H new ATOM 0 HG1 THR A 9 7.348 -8.901 -0.503 1.00 23.01 H new ATOM 0 HG21 THR A 9 3.777 -8.550 -0.297 1.00 64.40 H new ATOM 0 HG22 THR A 9 3.777 -6.882 -0.915 1.00 64.40 H new ATOM 0 HG23 THR A 9 4.163 -8.234 -2.005 1.00 64.40 H new ATOM 161 N ASN A 10 8.144 -7.760 -3.033 1.00 35.24 N ATOM 162 CA ASN A 10 8.692 -8.397 -4.239 1.00 34.00 C ATOM 163 C ASN A 10 8.881 -9.906 -4.020 1.00 72.32 C ATOM 164 O ASN A 10 9.516 -10.592 -4.830 1.00 51.00 O ATOM 165 CB ASN A 10 10.017 -7.701 -4.636 1.00 73.52 C ATOM 166 CG ASN A 10 9.819 -6.214 -4.940 1.00 12.44 C ATOM 167 OD1 ASN A 10 10.019 -5.344 -4.088 1.00 33.35 O ATOM 168 ND2 ASN A 10 9.380 -5.916 -6.151 1.00 44.11 N ATOM 0 H ASN A 10 8.838 -7.614 -2.300 1.00 35.24 H new ATOM 0 HA ASN A 10 7.986 -8.281 -5.062 1.00 34.00 H new ATOM 0 HB2 ASN A 10 10.740 -7.812 -3.828 1.00 73.52 H new ATOM 0 HB3 ASN A 10 10.438 -8.196 -5.511 1.00 73.52 H new ATOM 0 HD21 ASN A 10 9.197 -4.945 -6.402 1.00 44.11 H new ATOM 0 HD22 ASN A 10 9.224 -6.658 -6.834 1.00 44.11 H new ATOM 175 N ASN A 11 8.283 -10.417 -2.934 1.00 30.15 N ATOM 176 CA ASN A 11 8.241 -11.849 -2.617 1.00 54.31 C ATOM 177 C ASN A 11 6.798 -12.346 -2.814 1.00 21.25 C ATOM 178 O ASN A 11 5.905 -11.948 -2.066 1.00 62.54 O ATOM 179 CB ASN A 11 8.716 -12.082 -1.158 1.00 0.53 C ATOM 180 CG ASN A 11 8.687 -13.554 -0.714 1.00 75.45 C ATOM 181 OD1 ASN A 11 8.844 -14.471 -1.513 1.00 52.45 O ATOM 182 ND2 ASN A 11 8.502 -13.791 0.569 1.00 23.24 N ATOM 0 H ASN A 11 7.808 -9.837 -2.242 1.00 30.15 H new ATOM 0 HA ASN A 11 8.908 -12.405 -3.276 1.00 54.31 H new ATOM 0 HB2 ASN A 11 9.732 -11.702 -1.054 1.00 0.53 H new ATOM 0 HB3 ASN A 11 8.087 -11.499 -0.485 1.00 0.53 H new ATOM 0 HD21 ASN A 11 8.488 -14.751 0.913 1.00 23.24 H new ATOM 0 HD22 ASN A 11 8.373 -13.014 1.218 1.00 23.24 H new ATOM 189 N ASP A 12 6.605 -13.228 -3.817 1.00 1.03 N ATOM 190 CA ASP A 12 5.272 -13.737 -4.254 1.00 10.32 C ATOM 191 C ASP A 12 4.533 -14.427 -3.100 1.00 63.11 C ATOM 192 O ASP A 12 3.316 -14.267 -2.925 1.00 22.41 O ATOM 193 CB ASP A 12 5.427 -14.741 -5.434 1.00 20.35 C ATOM 194 CG ASP A 12 6.223 -14.160 -6.609 1.00 60.31 C ATOM 195 OD1 ASP A 12 7.475 -14.252 -6.594 1.00 34.42 O ATOM 196 OD2 ASP A 12 5.613 -13.579 -7.536 1.00 43.55 O ATOM 0 H ASP A 12 7.377 -13.617 -4.359 1.00 1.03 H new ATOM 0 HA ASP A 12 4.688 -12.877 -4.582 1.00 10.32 H new ATOM 0 HB2 ASP A 12 5.924 -15.642 -5.075 1.00 20.35 H new ATOM 0 HB3 ASP A 12 4.439 -15.039 -5.783 1.00 20.35 H new ATOM 201 N GLU A 13 5.310 -15.179 -2.308 1.00 72.40 N ATOM 202 CA GLU A 13 4.810 -15.936 -1.160 1.00 72.31 C ATOM 203 C GLU A 13 4.366 -14.990 -0.029 1.00 50.40 C ATOM 204 O GLU A 13 3.352 -15.249 0.621 1.00 11.51 O ATOM 205 CB GLU A 13 5.888 -16.940 -0.684 1.00 62.22 C ATOM 206 CG GLU A 13 6.342 -17.923 -1.788 1.00 24.43 C ATOM 207 CD GLU A 13 7.329 -18.978 -1.275 1.00 62.50 C ATOM 208 OE1 GLU A 13 8.543 -18.694 -1.216 1.00 54.55 O ATOM 209 OE2 GLU A 13 6.890 -20.088 -0.896 1.00 1.01 O ATOM 0 H GLU A 13 6.315 -15.278 -2.451 1.00 72.40 H new ATOM 0 HA GLU A 13 3.930 -16.503 -1.462 1.00 72.31 H new ATOM 0 HB2 GLU A 13 6.754 -16.387 -0.322 1.00 62.22 H new ATOM 0 HB3 GLU A 13 5.497 -17.508 0.160 1.00 62.22 H new ATOM 0 HG2 GLU A 13 5.468 -18.423 -2.205 1.00 24.43 H new ATOM 0 HG3 GLU A 13 6.806 -17.362 -2.599 1.00 24.43 H new ATOM 216 N LEU A 14 5.097 -13.864 0.154 1.00 32.21 N ATOM 217 CA LEU A 14 4.747 -12.839 1.163 1.00 21.21 C ATOM 218 C LEU A 14 3.458 -12.101 0.747 1.00 14.50 C ATOM 219 O LEU A 14 2.633 -11.821 1.606 1.00 22.13 O ATOM 220 CB LEU A 14 5.924 -11.848 1.392 1.00 24.42 C ATOM 221 CG LEU A 14 5.669 -10.639 2.363 1.00 33.32 C ATOM 222 CD1 LEU A 14 5.108 -11.078 3.734 1.00 35.43 C ATOM 223 CD2 LEU A 14 6.956 -9.803 2.542 1.00 73.12 C ATOM 0 H LEU A 14 5.934 -13.644 -0.386 1.00 32.21 H new ATOM 0 HA LEU A 14 4.561 -13.339 2.113 1.00 21.21 H new ATOM 0 HB2 LEU A 14 6.773 -12.415 1.775 1.00 24.42 H new ATOM 0 HB3 LEU A 14 6.220 -11.446 0.423 1.00 24.42 H new ATOM 0 HG LEU A 14 4.904 -10.019 1.897 1.00 33.32 H new ATOM 0 HD11 LEU A 14 4.952 -10.200 4.361 1.00 35.43 H new ATOM 0 HD12 LEU A 14 4.159 -11.594 3.590 1.00 35.43 H new ATOM 0 HD13 LEU A 14 5.817 -11.750 4.219 1.00 35.43 H new ATOM 0 HD21 LEU A 14 6.758 -8.971 3.218 1.00 73.12 H new ATOM 0 HD22 LEU A 14 7.743 -10.431 2.960 1.00 73.12 H new ATOM 0 HD23 LEU A 14 7.276 -9.416 1.574 1.00 73.12 H new ATOM 235 N ILE A 15 3.282 -11.840 -0.579 1.00 60.10 N ATOM 236 CA ILE A 15 2.056 -11.193 -1.125 1.00 1.31 C ATOM 237 C ILE A 15 0.794 -11.964 -0.678 1.00 12.50 C ATOM 238 O ILE A 15 -0.144 -11.378 -0.131 1.00 12.10 O ATOM 239 CB ILE A 15 2.058 -11.114 -2.710 1.00 45.01 C ATOM 240 CG1 ILE A 15 3.333 -10.401 -3.250 1.00 31.51 C ATOM 241 CG2 ILE A 15 0.781 -10.396 -3.218 1.00 72.11 C ATOM 242 CD1 ILE A 15 3.434 -10.311 -4.763 1.00 11.42 C ATOM 0 H ILE A 15 3.976 -12.069 -1.290 1.00 60.10 H new ATOM 0 HA ILE A 15 2.048 -10.177 -0.731 1.00 1.31 H new ATOM 0 HB ILE A 15 2.065 -12.135 -3.090 1.00 45.01 H new ATOM 0 HG12 ILE A 15 3.367 -9.392 -2.839 1.00 31.51 H new ATOM 0 HG13 ILE A 15 4.210 -10.927 -2.874 1.00 31.51 H new ATOM 0 HG21 ILE A 15 0.798 -10.350 -4.307 1.00 72.11 H new ATOM 0 HG22 ILE A 15 -0.101 -10.948 -2.892 1.00 72.11 H new ATOM 0 HG23 ILE A 15 0.747 -9.385 -2.813 1.00 72.11 H new ATOM 0 HD11 ILE A 15 4.356 -9.798 -5.036 1.00 11.42 H new ATOM 0 HD12 ILE A 15 3.438 -11.315 -5.188 1.00 11.42 H new ATOM 0 HD13 ILE A 15 2.581 -9.755 -5.152 1.00 11.42 H new ATOM 254 N LYS A 16 0.830 -13.294 -0.892 1.00 4.14 N ATOM 255 CA LYS A 16 -0.285 -14.208 -0.564 1.00 52.51 C ATOM 256 C LYS A 16 -0.555 -14.261 0.948 1.00 52.24 C ATOM 257 O LYS A 16 -1.713 -14.366 1.367 1.00 54.13 O ATOM 258 CB LYS A 16 0.015 -15.626 -1.087 1.00 62.14 C ATOM 259 CG LYS A 16 0.249 -15.700 -2.609 1.00 25.25 C ATOM 260 CD LYS A 16 0.467 -17.150 -3.092 1.00 73.12 C ATOM 261 CE LYS A 16 1.690 -17.816 -2.432 1.00 71.43 C ATOM 262 NZ LYS A 16 1.768 -19.268 -2.752 1.00 14.33 N ATOM 0 H LYS A 16 1.636 -13.768 -1.299 1.00 4.14 H new ATOM 0 HA LYS A 16 -1.178 -13.819 -1.052 1.00 52.51 H new ATOM 0 HB2 LYS A 16 0.897 -16.011 -0.576 1.00 62.14 H new ATOM 0 HB3 LYS A 16 -0.816 -16.281 -0.826 1.00 62.14 H new ATOM 0 HG2 LYS A 16 -0.607 -15.270 -3.129 1.00 25.25 H new ATOM 0 HG3 LYS A 16 1.118 -15.096 -2.872 1.00 25.25 H new ATOM 0 HD2 LYS A 16 -0.424 -17.739 -2.875 1.00 73.12 H new ATOM 0 HD3 LYS A 16 0.596 -17.153 -4.174 1.00 73.12 H new ATOM 0 HE2 LYS A 16 2.600 -17.320 -2.769 1.00 71.43 H new ATOM 0 HE3 LYS A 16 1.637 -17.684 -1.351 1.00 71.43 H new ATOM 0 HZ1 LYS A 16 2.603 -19.681 -2.290 1.00 14.33 H new ATOM 0 HZ2 LYS A 16 0.911 -19.746 -2.408 1.00 14.33 H new ATOM 0 HZ3 LYS A 16 1.844 -19.393 -3.782 1.00 14.33 H new ATOM 276 N LYS A 17 0.526 -14.183 1.756 1.00 54.43 N ATOM 277 CA LYS A 17 0.415 -14.176 3.227 1.00 23.33 C ATOM 278 C LYS A 17 -0.292 -12.904 3.707 1.00 43.11 C ATOM 279 O LYS A 17 -1.166 -12.972 4.573 1.00 74.24 O ATOM 280 CB LYS A 17 1.799 -14.298 3.913 1.00 3.23 C ATOM 281 CG LYS A 17 2.492 -15.658 3.707 1.00 75.23 C ATOM 282 CD LYS A 17 3.801 -15.772 4.521 1.00 15.24 C ATOM 283 CE LYS A 17 3.569 -15.766 6.045 1.00 60.05 C ATOM 284 NZ LYS A 17 4.847 -15.853 6.807 1.00 52.21 N ATOM 0 H LYS A 17 1.484 -14.124 1.411 1.00 54.43 H new ATOM 0 HA LYS A 17 -0.177 -15.047 3.508 1.00 23.33 H new ATOM 0 HB2 LYS A 17 2.450 -13.511 3.533 1.00 3.23 H new ATOM 0 HB3 LYS A 17 1.678 -14.124 4.982 1.00 3.23 H new ATOM 0 HG2 LYS A 17 1.813 -16.459 4.000 1.00 75.23 H new ATOM 0 HG3 LYS A 17 2.711 -15.796 2.648 1.00 75.23 H new ATOM 0 HD2 LYS A 17 4.316 -16.691 4.242 1.00 15.24 H new ATOM 0 HD3 LYS A 17 4.459 -14.944 4.257 1.00 15.24 H new ATOM 0 HE2 LYS A 17 3.040 -14.855 6.327 1.00 60.05 H new ATOM 0 HE3 LYS A 17 2.928 -16.604 6.317 1.00 60.05 H new ATOM 0 HZ1 LYS A 17 4.670 -16.293 7.733 1.00 52.21 H new ATOM 0 HZ2 LYS A 17 5.530 -16.429 6.275 1.00 52.21 H new ATOM 0 HZ3 LYS A 17 5.234 -14.898 6.946 1.00 52.21 H new ATOM 298 N ILE A 18 0.083 -11.758 3.099 1.00 41.33 N ATOM 299 CA ILE A 18 -0.520 -10.447 3.394 1.00 64.52 C ATOM 300 C ILE A 18 -2.020 -10.490 3.083 1.00 21.32 C ATOM 301 O ILE A 18 -2.813 -10.093 3.918 1.00 43.40 O ATOM 302 CB ILE A 18 0.214 -9.287 2.610 1.00 44.25 C ATOM 303 CG1 ILE A 18 1.706 -9.240 3.063 1.00 31.35 C ATOM 304 CG2 ILE A 18 -0.474 -7.910 2.816 1.00 13.11 C ATOM 305 CD1 ILE A 18 2.592 -8.278 2.321 1.00 54.02 C ATOM 0 H ILE A 18 0.814 -11.719 2.389 1.00 41.33 H new ATOM 0 HA ILE A 18 -0.396 -10.229 4.455 1.00 64.52 H new ATOM 0 HB ILE A 18 0.157 -9.500 1.542 1.00 44.25 H new ATOM 0 HG12 ILE A 18 1.735 -8.986 4.123 1.00 31.35 H new ATOM 0 HG13 ILE A 18 2.127 -10.241 2.963 1.00 31.35 H new ATOM 0 HG21 ILE A 18 0.067 -7.146 2.258 1.00 13.11 H new ATOM 0 HG22 ILE A 18 -1.503 -7.960 2.459 1.00 13.11 H new ATOM 0 HG23 ILE A 18 -0.470 -7.656 3.876 1.00 13.11 H new ATOM 0 HD11 ILE A 18 3.604 -8.332 2.722 1.00 54.02 H new ATOM 0 HD12 ILE A 18 2.606 -8.539 1.263 1.00 54.02 H new ATOM 0 HD13 ILE A 18 2.209 -7.265 2.440 1.00 54.02 H new ATOM 317 N LYS A 19 -2.383 -11.092 1.923 1.00 41.43 N ATOM 318 CA LYS A 19 -3.794 -11.297 1.516 1.00 1.53 C ATOM 319 C LYS A 19 -4.608 -11.990 2.638 1.00 24.15 C ATOM 320 O LYS A 19 -5.719 -11.562 2.957 1.00 44.11 O ATOM 321 CB LYS A 19 -3.878 -12.135 0.210 1.00 31.21 C ATOM 322 CG LYS A 19 -3.238 -11.475 -1.032 1.00 22.31 C ATOM 323 CD LYS A 19 -3.388 -12.351 -2.299 1.00 14.22 C ATOM 324 CE LYS A 19 -2.819 -11.693 -3.565 1.00 32.53 C ATOM 325 NZ LYS A 19 -2.929 -12.586 -4.759 1.00 61.43 N ATOM 0 H LYS A 19 -1.708 -11.448 1.246 1.00 41.43 H new ATOM 0 HA LYS A 19 -4.226 -10.313 1.333 1.00 1.53 H new ATOM 0 HB2 LYS A 19 -3.394 -13.097 0.382 1.00 31.21 H new ATOM 0 HB3 LYS A 19 -4.927 -12.340 -0.006 1.00 31.21 H new ATOM 0 HG2 LYS A 19 -3.702 -10.504 -1.206 1.00 22.31 H new ATOM 0 HG3 LYS A 19 -2.180 -11.293 -0.841 1.00 22.31 H new ATOM 0 HD2 LYS A 19 -2.884 -13.303 -2.135 1.00 14.22 H new ATOM 0 HD3 LYS A 19 -4.444 -12.572 -2.456 1.00 14.22 H new ATOM 0 HE2 LYS A 19 -3.350 -10.761 -3.759 1.00 32.53 H new ATOM 0 HE3 LYS A 19 -1.773 -11.435 -3.400 1.00 32.53 H new ATOM 0 HZ1 LYS A 19 -2.534 -12.103 -5.591 1.00 61.43 H new ATOM 0 HZ2 LYS A 19 -2.401 -13.465 -4.585 1.00 61.43 H new ATOM 0 HZ3 LYS A 19 -3.929 -12.812 -4.933 1.00 61.43 H new ATOM 339 N LYS A 20 -3.990 -13.018 3.265 1.00 52.21 N ATOM 340 CA LYS A 20 -4.603 -13.783 4.369 1.00 53.33 C ATOM 341 C LYS A 20 -4.800 -12.905 5.623 1.00 60.43 C ATOM 342 O LYS A 20 -5.874 -12.929 6.234 1.00 44.11 O ATOM 343 CB LYS A 20 -3.743 -15.035 4.714 1.00 33.42 C ATOM 344 CG LYS A 20 -3.591 -16.092 3.588 1.00 74.55 C ATOM 345 CD LYS A 20 -4.943 -16.698 3.084 1.00 61.14 C ATOM 346 CE LYS A 20 -5.535 -15.957 1.871 1.00 4.44 C ATOM 347 NZ LYS A 20 -6.933 -16.383 1.572 1.00 12.05 N ATOM 0 H LYS A 20 -3.053 -13.338 3.018 1.00 52.21 H new ATOM 0 HA LYS A 20 -5.586 -14.114 4.034 1.00 53.33 H new ATOM 0 HB2 LYS A 20 -2.748 -14.698 5.004 1.00 33.42 H new ATOM 0 HB3 LYS A 20 -4.181 -15.522 5.585 1.00 33.42 H new ATOM 0 HG2 LYS A 20 -3.075 -15.634 2.744 1.00 74.55 H new ATOM 0 HG3 LYS A 20 -2.956 -16.901 3.949 1.00 74.55 H new ATOM 0 HD2 LYS A 20 -4.787 -17.744 2.820 1.00 61.14 H new ATOM 0 HD3 LYS A 20 -5.666 -16.680 3.899 1.00 61.14 H new ATOM 0 HE2 LYS A 20 -5.518 -14.884 2.060 1.00 4.44 H new ATOM 0 HE3 LYS A 20 -4.908 -16.137 0.997 1.00 4.44 H new ATOM 0 HZ1 LYS A 20 -7.516 -15.545 1.373 1.00 12.05 H new ATOM 0 HZ2 LYS A 20 -6.935 -17.011 0.743 1.00 12.05 H new ATOM 0 HZ3 LYS A 20 -7.324 -16.890 2.391 1.00 12.05 H new ATOM 361 N GLU A 21 -3.762 -12.107 5.963 1.00 72.43 N ATOM 362 CA GLU A 21 -3.780 -11.191 7.129 1.00 43.01 C ATOM 363 C GLU A 21 -4.917 -10.168 7.002 1.00 75.35 C ATOM 364 O GLU A 21 -5.658 -9.923 7.949 1.00 41.50 O ATOM 365 CB GLU A 21 -2.431 -10.431 7.250 1.00 60.13 C ATOM 366 CG GLU A 21 -1.183 -11.325 7.312 1.00 45.42 C ATOM 367 CD GLU A 21 -1.182 -12.312 8.485 1.00 15.03 C ATOM 368 OE1 GLU A 21 -0.811 -11.908 9.610 1.00 73.34 O ATOM 369 OE2 GLU A 21 -1.559 -13.494 8.299 1.00 52.30 O ATOM 0 H GLU A 21 -2.888 -12.079 5.438 1.00 72.43 H new ATOM 0 HA GLU A 21 -3.938 -11.798 8.021 1.00 43.01 H new ATOM 0 HB2 GLU A 21 -2.334 -9.757 6.399 1.00 60.13 H new ATOM 0 HB3 GLU A 21 -2.460 -9.811 8.146 1.00 60.13 H new ATOM 0 HG2 GLU A 21 -1.102 -11.884 6.380 1.00 45.42 H new ATOM 0 HG3 GLU A 21 -0.298 -10.692 7.382 1.00 45.42 H new ATOM 376 N VAL A 22 -5.042 -9.626 5.791 1.00 22.02 N ATOM 377 CA VAL A 22 -5.993 -8.567 5.441 1.00 42.14 C ATOM 378 C VAL A 22 -7.442 -9.078 5.489 1.00 54.10 C ATOM 379 O VAL A 22 -8.348 -8.342 5.878 1.00 2.52 O ATOM 380 CB VAL A 22 -5.627 -8.007 4.020 1.00 4.32 C ATOM 381 CG1 VAL A 22 -6.619 -6.937 3.526 1.00 45.15 C ATOM 382 CG2 VAL A 22 -4.190 -7.452 4.035 1.00 72.32 C ATOM 0 H VAL A 22 -4.467 -9.920 5.001 1.00 22.02 H new ATOM 0 HA VAL A 22 -5.923 -7.762 6.173 1.00 42.14 H new ATOM 0 HB VAL A 22 -5.693 -8.836 3.315 1.00 4.32 H new ATOM 0 HG11 VAL A 22 -6.315 -6.587 2.539 1.00 45.15 H new ATOM 0 HG12 VAL A 22 -7.619 -7.367 3.466 1.00 45.15 H new ATOM 0 HG13 VAL A 22 -6.626 -6.098 4.222 1.00 45.15 H new ATOM 0 HG21 VAL A 22 -3.939 -7.064 3.048 1.00 72.32 H new ATOM 0 HG22 VAL A 22 -4.118 -6.649 4.769 1.00 72.32 H new ATOM 0 HG23 VAL A 22 -3.495 -8.249 4.299 1.00 72.32 H new ATOM 392 N GLU A 23 -7.631 -10.356 5.130 1.00 42.52 N ATOM 393 CA GLU A 23 -8.939 -11.043 5.236 1.00 15.44 C ATOM 394 C GLU A 23 -9.287 -11.334 6.712 1.00 15.43 C ATOM 395 O GLU A 23 -10.466 -11.398 7.073 1.00 71.44 O ATOM 396 CB GLU A 23 -8.942 -12.350 4.398 1.00 42.04 C ATOM 397 CG GLU A 23 -8.936 -12.117 2.874 1.00 55.24 C ATOM 398 CD GLU A 23 -8.845 -13.417 2.061 1.00 63.33 C ATOM 399 OE1 GLU A 23 -9.787 -14.239 2.134 1.00 1.34 O ATOM 400 OE2 GLU A 23 -7.852 -13.620 1.330 1.00 13.25 O ATOM 0 H GLU A 23 -6.887 -10.947 4.758 1.00 42.52 H new ATOM 0 HA GLU A 23 -9.705 -10.381 4.833 1.00 15.44 H new ATOM 0 HB2 GLU A 23 -8.069 -12.945 4.668 1.00 42.04 H new ATOM 0 HB3 GLU A 23 -9.822 -12.937 4.662 1.00 42.04 H new ATOM 0 HG2 GLU A 23 -9.843 -11.583 2.592 1.00 55.24 H new ATOM 0 HG3 GLU A 23 -8.094 -11.475 2.615 1.00 55.24 H new ATOM 407 N ASN A 24 -8.246 -11.473 7.557 1.00 0.30 N ATOM 408 CA ASN A 24 -8.401 -11.635 9.023 1.00 63.11 C ATOM 409 C ASN A 24 -8.654 -10.263 9.683 1.00 3.33 C ATOM 410 O ASN A 24 -9.173 -10.195 10.797 1.00 3.02 O ATOM 411 CB ASN A 24 -7.148 -12.326 9.641 1.00 41.14 C ATOM 412 CG ASN A 24 -6.903 -13.735 9.092 1.00 21.41 C ATOM 413 OD1 ASN A 24 -7.839 -14.457 8.750 1.00 21.44 O ATOM 414 ND2 ASN A 24 -5.643 -14.133 8.988 1.00 33.51 N ATOM 0 H ASN A 24 -7.274 -11.477 7.247 1.00 0.30 H new ATOM 0 HA ASN A 24 -9.262 -12.276 9.213 1.00 63.11 H new ATOM 0 HB2 ASN A 24 -6.270 -11.710 9.448 1.00 41.14 H new ATOM 0 HB3 ASN A 24 -7.268 -12.380 10.723 1.00 41.14 H new ATOM 0 HD21 ASN A 24 -5.430 -15.059 8.617 1.00 33.51 H new ATOM 0 HD22 ASN A 24 -4.887 -13.514 9.279 1.00 33.51 H new ATOM 421 N GLN A 25 -8.266 -9.173 8.986 1.00 2.03 N ATOM 422 CA GLN A 25 -8.602 -7.784 9.388 1.00 3.25 C ATOM 423 C GLN A 25 -9.975 -7.380 8.792 1.00 24.32 C ATOM 424 O GLN A 25 -10.583 -6.403 9.235 1.00 62.54 O ATOM 425 CB GLN A 25 -7.504 -6.776 8.921 1.00 75.12 C ATOM 426 CG GLN A 25 -6.054 -7.139 9.321 1.00 62.12 C ATOM 427 CD GLN A 25 -5.811 -7.279 10.830 1.00 33.21 C ATOM 428 OE1 GLN A 25 -6.428 -6.596 11.652 1.00 72.43 O ATOM 429 NE2 GLN A 25 -4.912 -8.177 11.205 1.00 41.01 N ATOM 0 H GLN A 25 -7.713 -9.228 8.131 1.00 2.03 H new ATOM 0 HA GLN A 25 -8.652 -7.750 10.476 1.00 3.25 H new ATOM 0 HB2 GLN A 25 -7.552 -6.690 7.835 1.00 75.12 H new ATOM 0 HB3 GLN A 25 -7.740 -5.793 9.329 1.00 75.12 H new ATOM 0 HG2 GLN A 25 -5.784 -8.077 8.837 1.00 62.12 H new ATOM 0 HG3 GLN A 25 -5.383 -6.374 8.930 1.00 62.12 H new ATOM 0 HE21 GLN A 25 -4.417 -8.727 10.503 1.00 41.01 H new ATOM 0 HE22 GLN A 25 -4.715 -8.318 12.196 1.00 41.01 H new ATOM 438 N GLY A 26 -10.420 -8.123 7.755 1.00 2.42 N ATOM 439 CA GLY A 26 -11.751 -7.956 7.147 1.00 22.25 C ATOM 440 C GLY A 26 -11.825 -6.815 6.129 1.00 33.11 C ATOM 441 O GLY A 26 -12.837 -6.109 6.054 1.00 14.42 O ATOM 0 H GLY A 26 -9.862 -8.856 7.318 1.00 2.42 H new ATOM 0 HA2 GLY A 26 -12.036 -8.887 6.657 1.00 22.25 H new ATOM 0 HA3 GLY A 26 -12.481 -7.775 7.936 1.00 22.25 H new ATOM 445 N TYR A 27 -10.747 -6.641 5.344 1.00 44.21 N ATOM 446 CA TYR A 27 -10.635 -5.576 4.319 1.00 42.52 C ATOM 447 C TYR A 27 -10.740 -6.164 2.911 1.00 12.12 C ATOM 448 O TYR A 27 -10.571 -7.377 2.710 1.00 53.41 O ATOM 449 CB TYR A 27 -9.281 -4.811 4.466 1.00 20.35 C ATOM 450 CG TYR A 27 -9.206 -3.818 5.626 1.00 73.22 C ATOM 451 CD1 TYR A 27 -9.470 -4.218 6.936 1.00 63.34 C ATOM 452 CD2 TYR A 27 -8.877 -2.480 5.412 1.00 60.01 C ATOM 453 CE1 TYR A 27 -9.411 -3.326 7.984 1.00 65.33 C ATOM 454 CE2 TYR A 27 -8.814 -1.594 6.456 1.00 24.11 C ATOM 455 CZ TYR A 27 -9.087 -2.016 7.737 1.00 4.43 C ATOM 456 OH TYR A 27 -9.001 -1.127 8.784 1.00 64.44 O ATOM 0 H TYR A 27 -9.921 -7.237 5.400 1.00 44.21 H new ATOM 0 HA TYR A 27 -11.458 -4.878 4.473 1.00 42.52 H new ATOM 0 HB2 TYR A 27 -8.482 -5.543 4.585 1.00 20.35 H new ATOM 0 HB3 TYR A 27 -9.085 -4.274 3.538 1.00 20.35 H new ATOM 0 HD1 TYR A 27 -9.726 -5.249 7.133 1.00 63.34 H new ATOM 0 HD2 TYR A 27 -8.669 -2.137 4.409 1.00 60.01 H new ATOM 0 HE1 TYR A 27 -9.618 -3.655 8.992 1.00 65.33 H new ATOM 0 HE2 TYR A 27 -8.550 -0.563 6.273 1.00 24.11 H new ATOM 0 HH TYR A 27 -8.961 -1.621 9.630 1.00 64.44 H new ATOM 466 N GLN A 28 -11.007 -5.277 1.942 1.00 64.44 N ATOM 467 CA GLN A 28 -11.076 -5.629 0.527 1.00 43.44 C ATOM 468 C GLN A 28 -9.632 -5.765 0.012 1.00 23.44 C ATOM 469 O GLN A 28 -8.907 -4.765 -0.067 1.00 33.34 O ATOM 470 CB GLN A 28 -11.846 -4.537 -0.288 1.00 24.52 C ATOM 471 CG GLN A 28 -13.269 -4.174 0.229 1.00 42.54 C ATOM 472 CD GLN A 28 -13.286 -3.282 1.494 1.00 13.52 C ATOM 473 OE1 GLN A 28 -13.295 -3.769 2.627 1.00 71.32 O ATOM 474 NE2 GLN A 28 -13.285 -1.976 1.310 1.00 22.04 N ATOM 0 H GLN A 28 -11.182 -4.289 2.125 1.00 64.44 H new ATOM 0 HA GLN A 28 -11.619 -6.566 0.401 1.00 43.44 H new ATOM 0 HB2 GLN A 28 -11.243 -3.629 -0.300 1.00 24.52 H new ATOM 0 HB3 GLN A 28 -11.932 -4.876 -1.320 1.00 24.52 H new ATOM 0 HG2 GLN A 28 -13.811 -3.664 -0.567 1.00 42.54 H new ATOM 0 HG3 GLN A 28 -13.810 -5.096 0.443 1.00 42.54 H new ATOM 0 HE21 GLN A 28 -13.277 -1.594 0.364 1.00 22.04 H new ATOM 0 HE22 GLN A 28 -13.292 -1.348 2.114 1.00 22.04 H new ATOM 483 N VAL A 29 -9.218 -7.005 -0.297 1.00 70.25 N ATOM 484 CA VAL A 29 -7.858 -7.303 -0.779 1.00 33.51 C ATOM 485 C VAL A 29 -7.784 -7.059 -2.291 1.00 25.41 C ATOM 486 O VAL A 29 -8.498 -7.713 -3.059 1.00 52.23 O ATOM 487 CB VAL A 29 -7.423 -8.794 -0.488 1.00 4.41 C ATOM 488 CG1 VAL A 29 -5.926 -9.002 -0.819 1.00 70.31 C ATOM 489 CG2 VAL A 29 -7.742 -9.201 0.964 1.00 4.42 C ATOM 0 H VAL A 29 -9.815 -7.828 -0.220 1.00 70.25 H new ATOM 0 HA VAL A 29 -7.178 -6.643 -0.241 1.00 33.51 H new ATOM 0 HB VAL A 29 -8.004 -9.447 -1.139 1.00 4.41 H new ATOM 0 HG11 VAL A 29 -5.648 -10.035 -0.611 1.00 70.31 H new ATOM 0 HG12 VAL A 29 -5.753 -8.784 -1.873 1.00 70.31 H new ATOM 0 HG13 VAL A 29 -5.322 -8.333 -0.206 1.00 70.31 H new ATOM 0 HG21 VAL A 29 -7.430 -10.232 1.130 1.00 4.42 H new ATOM 0 HG22 VAL A 29 -7.208 -8.545 1.651 1.00 4.42 H new ATOM 0 HG23 VAL A 29 -8.814 -9.114 1.139 1.00 4.42 H new ATOM 499 N ARG A 30 -6.948 -6.102 -2.705 1.00 71.43 N ATOM 500 CA ARG A 30 -6.641 -5.848 -4.122 1.00 52.51 C ATOM 501 C ARG A 30 -5.122 -5.982 -4.307 1.00 62.51 C ATOM 502 O ARG A 30 -4.370 -5.608 -3.415 1.00 14.14 O ATOM 503 CB ARG A 30 -7.113 -4.423 -4.546 1.00 33.40 C ATOM 504 CG ARG A 30 -8.619 -4.135 -4.350 1.00 43.31 C ATOM 505 CD ARG A 30 -9.528 -5.104 -5.125 1.00 1.33 C ATOM 506 NE ARG A 30 -9.228 -5.122 -6.570 1.00 75.34 N ATOM 507 CZ ARG A 30 -10.013 -4.611 -7.533 1.00 32.22 C ATOM 508 NH1 ARG A 30 -11.162 -4.008 -7.225 1.00 1.13 N ATOM 509 NH2 ARG A 30 -9.640 -4.699 -8.812 1.00 35.12 N ATOM 0 H ARG A 30 -6.460 -5.476 -2.064 1.00 71.43 H new ATOM 0 HA ARG A 30 -7.167 -6.567 -4.750 1.00 52.51 H new ATOM 0 HB2 ARG A 30 -6.543 -3.687 -3.979 1.00 33.40 H new ATOM 0 HB3 ARG A 30 -6.867 -4.276 -5.597 1.00 33.40 H new ATOM 0 HG2 ARG A 30 -8.858 -4.194 -3.288 1.00 43.31 H new ATOM 0 HG3 ARG A 30 -8.831 -3.115 -4.669 1.00 43.31 H new ATOM 0 HD2 ARG A 30 -9.412 -6.109 -4.720 1.00 1.33 H new ATOM 0 HD3 ARG A 30 -10.569 -4.819 -4.976 1.00 1.33 H new ATOM 0 HE ARG A 30 -8.353 -5.558 -6.861 1.00 75.34 H new ATOM 0 HH11 ARG A 30 -11.452 -3.931 -6.250 1.00 1.13 H new ATOM 0 HH12 ARG A 30 -11.750 -3.624 -7.964 1.00 1.13 H new ATOM 0 HH21 ARG A 30 -8.760 -5.154 -9.057 1.00 35.12 H new ATOM 0 HH22 ARG A 30 -10.235 -4.312 -9.545 1.00 35.12 H new ATOM 523 N ASP A 31 -4.686 -6.565 -5.437 1.00 21.42 N ATOM 524 CA ASP A 31 -3.260 -6.606 -5.835 1.00 22.32 C ATOM 525 C ASP A 31 -3.123 -6.095 -7.284 1.00 2.41 C ATOM 526 O ASP A 31 -3.948 -6.418 -8.150 1.00 74.52 O ATOM 527 CB ASP A 31 -2.653 -8.032 -5.667 1.00 33.53 C ATOM 528 CG ASP A 31 -3.295 -9.104 -6.564 1.00 12.45 C ATOM 529 OD1 ASP A 31 -4.449 -9.509 -6.288 1.00 54.32 O ATOM 530 OD2 ASP A 31 -2.656 -9.547 -7.547 1.00 43.44 O ATOM 0 H ASP A 31 -5.309 -7.022 -6.103 1.00 21.42 H new ATOM 0 HA ASP A 31 -2.691 -5.953 -5.174 1.00 22.32 H new ATOM 0 HB2 ASP A 31 -1.585 -7.987 -5.882 1.00 33.53 H new ATOM 0 HB3 ASP A 31 -2.756 -8.337 -4.626 1.00 33.53 H new ATOM 535 N VAL A 32 -2.083 -5.289 -7.522 1.00 54.20 N ATOM 536 CA VAL A 32 -1.814 -4.607 -8.797 1.00 52.20 C ATOM 537 C VAL A 32 -0.412 -5.006 -9.281 1.00 34.22 C ATOM 538 O VAL A 32 0.566 -4.853 -8.545 1.00 11.52 O ATOM 539 CB VAL A 32 -1.909 -3.041 -8.611 1.00 15.25 C ATOM 540 CG1 VAL A 32 -1.368 -2.274 -9.838 1.00 22.20 C ATOM 541 CG2 VAL A 32 -3.363 -2.614 -8.273 1.00 55.45 C ATOM 0 H VAL A 32 -1.381 -5.085 -6.811 1.00 54.20 H new ATOM 0 HA VAL A 32 -2.556 -4.904 -9.539 1.00 52.20 H new ATOM 0 HB VAL A 32 -1.271 -2.774 -7.769 1.00 15.25 H new ATOM 0 HG11 VAL A 32 -1.454 -1.201 -9.664 1.00 22.20 H new ATOM 0 HG12 VAL A 32 -0.321 -2.533 -9.996 1.00 22.20 H new ATOM 0 HG13 VAL A 32 -1.947 -2.546 -10.721 1.00 22.20 H new ATOM 0 HG21 VAL A 32 -3.405 -1.532 -8.149 1.00 55.45 H new ATOM 0 HG22 VAL A 32 -4.028 -2.913 -9.084 1.00 55.45 H new ATOM 0 HG23 VAL A 32 -3.679 -3.097 -7.348 1.00 55.45 H new ATOM 551 N ASN A 33 -0.324 -5.534 -10.515 1.00 22.12 N ATOM 552 CA ASN A 33 0.955 -6.001 -11.105 1.00 22.54 C ATOM 553 C ASN A 33 1.243 -5.296 -12.446 1.00 73.15 C ATOM 554 O ASN A 33 2.198 -5.654 -13.150 1.00 25.24 O ATOM 555 CB ASN A 33 0.919 -7.548 -11.287 1.00 13.43 C ATOM 556 CG ASN A 33 0.584 -8.293 -9.987 1.00 1.14 C ATOM 557 OD1 ASN A 33 1.471 -8.646 -9.202 1.00 4.20 O ATOM 558 ND2 ASN A 33 -0.701 -8.542 -9.753 1.00 20.23 N ATOM 0 H ASN A 33 -1.128 -5.651 -11.132 1.00 22.12 H new ATOM 0 HA ASN A 33 1.765 -5.745 -10.422 1.00 22.54 H new ATOM 0 HB2 ASN A 33 0.180 -7.803 -12.047 1.00 13.43 H new ATOM 0 HB3 ASN A 33 1.886 -7.888 -11.656 1.00 13.43 H new ATOM 0 HD21 ASN A 33 -0.978 -9.038 -8.906 1.00 20.23 H new ATOM 0 HD22 ASN A 33 -1.409 -8.237 -10.421 1.00 20.23 H new ATOM 565 N ASP A 34 0.441 -4.259 -12.765 1.00 15.03 N ATOM 566 CA ASP A 34 0.521 -3.530 -14.049 1.00 51.32 C ATOM 567 C ASP A 34 -0.120 -2.131 -13.903 1.00 43.51 C ATOM 568 O ASP A 34 -0.987 -1.927 -13.047 1.00 2.24 O ATOM 569 CB ASP A 34 -0.177 -4.351 -15.174 1.00 23.15 C ATOM 570 CG ASP A 34 -0.117 -3.684 -16.559 1.00 21.25 C ATOM 571 OD1 ASP A 34 0.964 -3.694 -17.189 1.00 12.52 O ATOM 572 OD2 ASP A 34 -1.140 -3.142 -17.016 1.00 32.35 O ATOM 0 H ASP A 34 -0.281 -3.903 -12.139 1.00 15.03 H new ATOM 0 HA ASP A 34 1.568 -3.399 -14.324 1.00 51.32 H new ATOM 0 HB2 ASP A 34 0.288 -5.335 -15.235 1.00 23.15 H new ATOM 0 HB3 ASP A 34 -1.221 -4.508 -14.902 1.00 23.15 H new ATOM 577 N SER A 35 0.313 -1.186 -14.754 1.00 41.53 N ATOM 578 CA SER A 35 -0.124 0.225 -14.715 1.00 45.43 C ATOM 579 C SER A 35 -1.601 0.413 -15.108 1.00 73.24 C ATOM 580 O SER A 35 -2.237 1.391 -14.696 1.00 10.54 O ATOM 581 CB SER A 35 0.797 1.059 -15.629 1.00 75.35 C ATOM 582 OG SER A 35 0.879 0.495 -16.935 1.00 74.42 O ATOM 0 H SER A 35 0.984 -1.380 -15.498 1.00 41.53 H new ATOM 0 HA SER A 35 -0.046 0.570 -13.684 1.00 45.43 H new ATOM 0 HB2 SER A 35 0.420 2.080 -15.694 1.00 75.35 H new ATOM 0 HB3 SER A 35 1.794 1.114 -15.191 1.00 75.35 H new ATOM 0 HG SER A 35 1.468 1.045 -17.493 1.00 74.42 H new ATOM 588 N ASP A 36 -2.145 -0.521 -15.895 1.00 65.12 N ATOM 589 CA ASP A 36 -3.554 -0.470 -16.328 1.00 42.35 C ATOM 590 C ASP A 36 -4.457 -1.078 -15.250 1.00 73.25 C ATOM 591 O ASP A 36 -5.623 -0.694 -15.119 1.00 13.44 O ATOM 592 CB ASP A 36 -3.755 -1.178 -17.693 1.00 74.44 C ATOM 593 CG ASP A 36 -3.068 -0.441 -18.859 1.00 25.31 C ATOM 594 OD1 ASP A 36 -3.456 0.713 -19.157 1.00 42.54 O ATOM 595 OD2 ASP A 36 -2.126 -0.990 -19.471 1.00 24.05 O ATOM 0 H ASP A 36 -1.631 -1.328 -16.249 1.00 65.12 H new ATOM 0 HA ASP A 36 -3.832 0.575 -16.466 1.00 42.35 H new ATOM 0 HB2 ASP A 36 -3.363 -2.193 -17.631 1.00 74.44 H new ATOM 0 HB3 ASP A 36 -4.822 -1.260 -17.900 1.00 74.44 H new ATOM 600 N GLU A 37 -3.882 -1.996 -14.458 1.00 53.14 N ATOM 601 CA GLU A 37 -4.580 -2.656 -13.344 1.00 4.02 C ATOM 602 C GLU A 37 -4.956 -1.664 -12.234 1.00 42.15 C ATOM 603 O GLU A 37 -6.011 -1.815 -11.613 1.00 31.45 O ATOM 604 CB GLU A 37 -3.703 -3.790 -12.755 1.00 23.24 C ATOM 605 CG GLU A 37 -3.530 -5.007 -13.679 1.00 3.21 C ATOM 606 CD GLU A 37 -4.845 -5.775 -13.915 1.00 25.20 C ATOM 607 OE1 GLU A 37 -5.361 -6.385 -12.951 1.00 64.04 O ATOM 608 OE2 GLU A 37 -5.364 -5.786 -15.056 1.00 75.03 O ATOM 0 H GLU A 37 -2.916 -2.303 -14.573 1.00 53.14 H new ATOM 0 HA GLU A 37 -5.502 -3.077 -13.745 1.00 4.02 H new ATOM 0 HB2 GLU A 37 -2.719 -3.386 -12.519 1.00 23.24 H new ATOM 0 HB3 GLU A 37 -4.144 -4.123 -11.815 1.00 23.24 H new ATOM 0 HG2 GLU A 37 -3.133 -4.675 -14.638 1.00 3.21 H new ATOM 0 HG3 GLU A 37 -2.793 -5.683 -13.246 1.00 3.21 H new ATOM 615 N LEU A 38 -4.089 -0.668 -11.981 1.00 74.12 N ATOM 616 CA LEU A 38 -4.345 0.331 -10.928 1.00 10.01 C ATOM 617 C LEU A 38 -5.399 1.352 -11.384 1.00 41.25 C ATOM 618 O LEU A 38 -6.352 1.607 -10.661 1.00 34.13 O ATOM 619 CB LEU A 38 -3.015 0.997 -10.447 1.00 11.35 C ATOM 620 CG LEU A 38 -2.158 1.838 -11.473 1.00 1.11 C ATOM 621 CD1 LEU A 38 -2.581 3.325 -11.518 1.00 12.13 C ATOM 622 CD2 LEU A 38 -0.645 1.719 -11.177 1.00 12.21 C ATOM 0 H LEU A 38 -3.213 -0.533 -12.486 1.00 74.12 H new ATOM 0 HA LEU A 38 -4.763 -0.178 -10.060 1.00 10.01 H new ATOM 0 HB2 LEU A 38 -3.260 1.651 -9.610 1.00 11.35 H new ATOM 0 HB3 LEU A 38 -2.375 0.206 -10.056 1.00 11.35 H new ATOM 0 HG LEU A 38 -2.355 1.412 -12.457 1.00 1.11 H new ATOM 0 HD11 LEU A 38 -1.961 3.858 -12.239 1.00 12.13 H new ATOM 0 HD12 LEU A 38 -3.627 3.397 -11.816 1.00 12.13 H new ATOM 0 HD13 LEU A 38 -2.454 3.769 -10.531 1.00 12.13 H new ATOM 0 HD21 LEU A 38 -0.085 2.310 -11.902 1.00 12.21 H new ATOM 0 HD22 LEU A 38 -0.441 2.089 -10.172 1.00 12.21 H new ATOM 0 HD23 LEU A 38 -0.341 0.675 -11.248 1.00 12.21 H new ATOM 634 N LYS A 39 -5.262 1.862 -12.628 1.00 61.42 N ATOM 635 CA LYS A 39 -6.102 2.976 -13.135 1.00 14.00 C ATOM 636 C LYS A 39 -7.577 2.541 -13.284 1.00 74.31 C ATOM 637 O LYS A 39 -8.488 3.332 -13.029 1.00 75.22 O ATOM 638 CB LYS A 39 -5.539 3.530 -14.484 1.00 1.32 C ATOM 639 CG LYS A 39 -5.706 2.586 -15.696 1.00 43.40 C ATOM 640 CD LYS A 39 -5.092 3.131 -17.012 1.00 21.30 C ATOM 641 CE LYS A 39 -3.573 3.357 -16.923 1.00 65.10 C ATOM 642 NZ LYS A 39 -2.976 3.717 -18.244 1.00 3.41 N ATOM 0 H LYS A 39 -4.577 1.521 -13.302 1.00 61.42 H new ATOM 0 HA LYS A 39 -6.068 3.781 -12.401 1.00 14.00 H new ATOM 0 HB2 LYS A 39 -6.035 4.475 -14.707 1.00 1.32 H new ATOM 0 HB3 LYS A 39 -4.479 3.749 -14.356 1.00 1.32 H new ATOM 0 HG2 LYS A 39 -5.244 1.627 -15.462 1.00 43.40 H new ATOM 0 HG3 LYS A 39 -6.768 2.399 -15.853 1.00 43.40 H new ATOM 0 HD2 LYS A 39 -5.302 2.431 -17.821 1.00 21.30 H new ATOM 0 HD3 LYS A 39 -5.578 4.072 -17.270 1.00 21.30 H new ATOM 0 HE2 LYS A 39 -3.367 4.151 -16.205 1.00 65.10 H new ATOM 0 HE3 LYS A 39 -3.095 2.454 -16.545 1.00 65.10 H new ATOM 0 HZ1 LYS A 39 -1.997 4.040 -18.106 1.00 3.41 H new ATOM 0 HZ2 LYS A 39 -2.982 2.884 -18.866 1.00 3.41 H new ATOM 0 HZ3 LYS A 39 -3.533 4.479 -18.681 1.00 3.41 H new ATOM 656 N LYS A 40 -7.788 1.258 -13.642 1.00 53.21 N ATOM 657 CA LYS A 40 -9.127 0.703 -13.924 1.00 74.23 C ATOM 658 C LYS A 40 -9.977 0.596 -12.632 1.00 12.13 C ATOM 659 O LYS A 40 -11.191 0.843 -12.651 1.00 13.43 O ATOM 660 CB LYS A 40 -8.990 -0.686 -14.625 1.00 64.52 C ATOM 661 CG LYS A 40 -8.448 -1.828 -13.734 1.00 65.33 C ATOM 662 CD LYS A 40 -8.243 -3.159 -14.496 1.00 61.34 C ATOM 663 CE LYS A 40 -9.528 -3.712 -15.132 1.00 3.25 C ATOM 664 NZ LYS A 40 -9.291 -5.057 -15.741 1.00 15.31 N ATOM 0 H LYS A 40 -7.035 0.578 -13.744 1.00 53.21 H new ATOM 0 HA LYS A 40 -9.649 1.384 -14.597 1.00 74.23 H new ATOM 0 HB2 LYS A 40 -9.968 -0.979 -15.007 1.00 64.52 H new ATOM 0 HB3 LYS A 40 -8.331 -0.576 -15.486 1.00 64.52 H new ATOM 0 HG2 LYS A 40 -7.499 -1.518 -13.297 1.00 65.33 H new ATOM 0 HG3 LYS A 40 -9.140 -1.994 -12.908 1.00 65.33 H new ATOM 0 HD2 LYS A 40 -7.497 -3.009 -15.277 1.00 61.34 H new ATOM 0 HD3 LYS A 40 -7.840 -3.902 -13.808 1.00 61.34 H new ATOM 0 HE2 LYS A 40 -10.310 -3.784 -14.376 1.00 3.25 H new ATOM 0 HE3 LYS A 40 -9.886 -3.021 -15.896 1.00 3.25 H new ATOM 0 HZ1 LYS A 40 -10.174 -5.407 -16.163 1.00 15.31 H new ATOM 0 HZ2 LYS A 40 -8.561 -4.981 -16.478 1.00 15.31 H new ATOM 0 HZ3 LYS A 40 -8.972 -5.720 -15.006 1.00 15.31 H new ATOM 678 N GLU A 41 -9.311 0.220 -11.519 1.00 1.12 N ATOM 679 CA GLU A 41 -9.963 0.023 -10.216 1.00 14.21 C ATOM 680 C GLU A 41 -10.009 1.343 -9.413 1.00 63.42 C ATOM 681 O GLU A 41 -10.901 1.525 -8.577 1.00 12.31 O ATOM 682 CB GLU A 41 -9.306 -1.178 -9.466 1.00 11.14 C ATOM 683 CG GLU A 41 -7.838 -1.026 -8.997 1.00 21.55 C ATOM 684 CD GLU A 41 -7.694 -0.253 -7.676 1.00 22.35 C ATOM 685 OE1 GLU A 41 -8.314 -0.681 -6.670 1.00 64.15 O ATOM 686 OE2 GLU A 41 -6.986 0.774 -7.641 1.00 43.52 O ATOM 0 H GLU A 41 -8.306 0.046 -11.504 1.00 1.12 H new ATOM 0 HA GLU A 41 -11.008 -0.251 -10.358 1.00 14.21 H new ATOM 0 HB2 GLU A 41 -9.916 -1.398 -8.590 1.00 11.14 H new ATOM 0 HB3 GLU A 41 -9.360 -2.049 -10.119 1.00 11.14 H new ATOM 0 HG2 GLU A 41 -7.398 -2.016 -8.879 1.00 21.55 H new ATOM 0 HG3 GLU A 41 -7.268 -0.514 -9.772 1.00 21.55 H new ATOM 693 N MET A 42 -9.059 2.271 -9.705 1.00 4.24 N ATOM 694 CA MET A 42 -9.051 3.654 -9.145 1.00 51.42 C ATOM 695 C MET A 42 -10.289 4.451 -9.588 1.00 41.12 C ATOM 696 O MET A 42 -10.712 5.382 -8.890 1.00 52.11 O ATOM 697 CB MET A 42 -7.751 4.424 -9.542 1.00 44.30 C ATOM 698 CG MET A 42 -6.526 4.040 -8.712 1.00 62.40 C ATOM 699 SD MET A 42 -6.705 4.518 -6.982 1.00 32.03 S ATOM 700 CE MET A 42 -5.476 3.464 -6.219 1.00 41.33 C ATOM 0 H MET A 42 -8.278 2.084 -10.334 1.00 4.24 H new ATOM 0 HA MET A 42 -9.077 3.554 -8.060 1.00 51.42 H new ATOM 0 HB2 MET A 42 -7.537 4.238 -10.595 1.00 44.30 H new ATOM 0 HB3 MET A 42 -7.928 5.494 -9.437 1.00 44.30 H new ATOM 0 HG2 MET A 42 -6.368 2.963 -8.776 1.00 62.40 H new ATOM 0 HG3 MET A 42 -5.640 4.518 -9.130 1.00 62.40 H new ATOM 0 HE1 MET A 42 -5.776 3.236 -5.196 1.00 41.33 H new ATOM 0 HE2 MET A 42 -5.388 2.537 -6.786 1.00 41.33 H new ATOM 0 HE3 MET A 42 -4.514 3.976 -6.209 1.00 41.33 H new ATOM 710 N LYS A 43 -10.825 4.097 -10.773 1.00 12.24 N ATOM 711 CA LYS A 43 -12.112 4.619 -11.278 1.00 33.41 C ATOM 712 C LYS A 43 -13.237 4.298 -10.281 1.00 73.51 C ATOM 713 O LYS A 43 -13.986 5.180 -9.872 1.00 10.31 O ATOM 714 CB LYS A 43 -12.429 4.001 -12.674 1.00 1.31 C ATOM 715 CG LYS A 43 -11.420 4.389 -13.775 1.00 1.42 C ATOM 716 CD LYS A 43 -11.616 3.610 -15.095 1.00 14.05 C ATOM 717 CE LYS A 43 -12.984 3.851 -15.750 1.00 53.23 C ATOM 718 NZ LYS A 43 -13.192 5.287 -16.096 1.00 20.05 N ATOM 0 H LYS A 43 -10.376 3.438 -11.410 1.00 12.24 H new ATOM 0 HA LYS A 43 -12.039 5.701 -11.385 1.00 33.41 H new ATOM 0 HB2 LYS A 43 -12.452 2.915 -12.583 1.00 1.31 H new ATOM 0 HB3 LYS A 43 -13.426 4.316 -12.982 1.00 1.31 H new ATOM 0 HG2 LYS A 43 -11.507 5.457 -13.976 1.00 1.42 H new ATOM 0 HG3 LYS A 43 -10.409 4.216 -13.407 1.00 1.42 H new ATOM 0 HD2 LYS A 43 -10.831 3.895 -15.796 1.00 14.05 H new ATOM 0 HD3 LYS A 43 -11.498 2.544 -14.900 1.00 14.05 H new ATOM 0 HE2 LYS A 43 -13.066 3.245 -16.652 1.00 53.23 H new ATOM 0 HE3 LYS A 43 -13.773 3.523 -15.073 1.00 53.23 H new ATOM 0 HZ1 LYS A 43 -14.089 5.394 -16.611 1.00 20.05 H new ATOM 0 HZ2 LYS A 43 -13.224 5.853 -15.224 1.00 20.05 H new ATOM 0 HZ3 LYS A 43 -12.408 5.617 -16.694 1.00 20.05 H new ATOM 732 N LYS A 44 -13.284 3.019 -9.865 1.00 32.24 N ATOM 733 CA LYS A 44 -14.321 2.506 -8.949 1.00 41.42 C ATOM 734 C LYS A 44 -14.117 3.026 -7.518 1.00 11.54 C ATOM 735 O LYS A 44 -15.080 3.141 -6.760 1.00 63.53 O ATOM 736 CB LYS A 44 -14.352 0.952 -8.964 1.00 44.34 C ATOM 737 CG LYS A 44 -14.465 0.317 -10.371 1.00 71.12 C ATOM 738 CD LYS A 44 -15.607 0.899 -11.237 1.00 51.03 C ATOM 739 CE LYS A 44 -17.016 0.679 -10.658 1.00 14.11 C ATOM 740 NZ LYS A 44 -18.046 1.428 -11.440 1.00 51.40 N ATOM 0 H LYS A 44 -12.606 2.313 -10.153 1.00 32.24 H new ATOM 0 HA LYS A 44 -15.283 2.876 -9.304 1.00 41.42 H new ATOM 0 HB2 LYS A 44 -13.446 0.580 -8.485 1.00 44.34 H new ATOM 0 HB3 LYS A 44 -15.194 0.614 -8.360 1.00 44.34 H new ATOM 0 HG2 LYS A 44 -13.520 0.453 -10.896 1.00 71.12 H new ATOM 0 HG3 LYS A 44 -14.617 -0.757 -10.262 1.00 71.12 H new ATOM 0 HD2 LYS A 44 -15.442 1.969 -11.364 1.00 51.03 H new ATOM 0 HD3 LYS A 44 -15.560 0.450 -12.229 1.00 51.03 H new ATOM 0 HE2 LYS A 44 -17.253 -0.385 -10.666 1.00 14.11 H new ATOM 0 HE3 LYS A 44 -17.039 1.003 -9.618 1.00 14.11 H new ATOM 0 HZ1 LYS A 44 -18.950 1.415 -10.925 1.00 51.40 H new ATOM 0 HZ2 LYS A 44 -17.736 2.412 -11.570 1.00 51.40 H new ATOM 0 HZ3 LYS A 44 -18.171 0.979 -12.370 1.00 51.40 H new ATOM 754 N LEU A 45 -12.858 3.325 -7.153 1.00 31.23 N ATOM 755 CA LEU A 45 -12.537 3.950 -5.859 1.00 4.01 C ATOM 756 C LEU A 45 -13.032 5.411 -5.834 1.00 41.33 C ATOM 757 O LEU A 45 -13.561 5.868 -4.820 1.00 41.24 O ATOM 758 CB LEU A 45 -11.009 3.873 -5.577 1.00 53.22 C ATOM 759 CG LEU A 45 -10.421 2.432 -5.435 1.00 34.50 C ATOM 760 CD1 LEU A 45 -8.908 2.464 -5.153 1.00 33.35 C ATOM 761 CD2 LEU A 45 -11.173 1.615 -4.364 1.00 72.10 C ATOM 0 H LEU A 45 -12.043 3.143 -7.739 1.00 31.23 H new ATOM 0 HA LEU A 45 -13.051 3.402 -5.069 1.00 4.01 H new ATOM 0 HB2 LEU A 45 -10.483 4.383 -6.384 1.00 53.22 H new ATOM 0 HB3 LEU A 45 -10.799 4.424 -4.660 1.00 53.22 H new ATOM 0 HG LEU A 45 -10.566 1.930 -6.391 1.00 34.50 H new ATOM 0 HD11 LEU A 45 -8.534 1.445 -5.060 1.00 33.35 H new ATOM 0 HD12 LEU A 45 -8.395 2.966 -5.974 1.00 33.35 H new ATOM 0 HD13 LEU A 45 -8.722 3.005 -4.225 1.00 33.35 H new ATOM 0 HD21 LEU A 45 -10.736 0.619 -4.293 1.00 72.10 H new ATOM 0 HD22 LEU A 45 -11.091 2.116 -3.400 1.00 72.10 H new ATOM 0 HD23 LEU A 45 -12.224 1.532 -4.641 1.00 72.10 H new ATOM 773 N ALA A 46 -12.886 6.104 -6.976 1.00 2.12 N ATOM 774 CA ALA A 46 -13.285 7.517 -7.138 1.00 43.44 C ATOM 775 C ALA A 46 -14.817 7.687 -7.062 1.00 45.22 C ATOM 776 O ALA A 46 -15.311 8.659 -6.480 1.00 23.32 O ATOM 777 CB ALA A 46 -12.756 8.053 -8.476 1.00 50.21 C ATOM 0 H ALA A 46 -12.485 5.698 -7.821 1.00 2.12 H new ATOM 0 HA ALA A 46 -12.850 8.089 -6.318 1.00 43.44 H new ATOM 0 HB1 ALA A 46 -13.052 9.096 -8.593 1.00 50.21 H new ATOM 0 HB2 ALA A 46 -11.669 7.980 -8.493 1.00 50.21 H new ATOM 0 HB3 ALA A 46 -13.172 7.464 -9.294 1.00 50.21 H new ATOM 783 N GLU A 47 -15.546 6.734 -7.671 1.00 22.23 N ATOM 784 CA GLU A 47 -17.025 6.720 -7.689 1.00 50.13 C ATOM 785 C GLU A 47 -17.591 6.304 -6.321 1.00 40.03 C ATOM 786 O GLU A 47 -18.376 7.039 -5.705 1.00 34.23 O ATOM 787 CB GLU A 47 -17.526 5.735 -8.781 1.00 74.45 C ATOM 788 CG GLU A 47 -17.086 6.098 -10.211 1.00 22.43 C ATOM 789 CD GLU A 47 -17.489 5.029 -11.234 1.00 61.22 C ATOM 790 OE1 GLU A 47 -18.620 5.093 -11.768 1.00 41.42 O ATOM 791 OE2 GLU A 47 -16.691 4.105 -11.496 1.00 3.35 O ATOM 0 H GLU A 47 -15.127 5.948 -8.167 1.00 22.23 H new ATOM 0 HA GLU A 47 -17.373 7.728 -7.913 1.00 50.13 H new ATOM 0 HB2 GLU A 47 -17.164 4.734 -8.545 1.00 74.45 H new ATOM 0 HB3 GLU A 47 -18.615 5.696 -8.747 1.00 74.45 H new ATOM 0 HG2 GLU A 47 -17.529 7.053 -10.493 1.00 22.43 H new ATOM 0 HG3 GLU A 47 -16.004 6.229 -10.233 1.00 22.43 H new ATOM 798 N GLU A 48 -17.156 5.128 -5.851 1.00 72.53 N ATOM 799 CA GLU A 48 -17.708 4.482 -4.649 1.00 4.42 C ATOM 800 C GLU A 48 -17.007 4.980 -3.376 1.00 74.12 C ATOM 801 O GLU A 48 -15.944 4.482 -2.990 1.00 1.44 O ATOM 802 CB GLU A 48 -17.612 2.944 -4.776 1.00 24.34 C ATOM 803 CG GLU A 48 -18.450 2.352 -5.917 1.00 43.15 C ATOM 804 CD GLU A 48 -18.511 0.822 -5.882 1.00 73.04 C ATOM 805 OE1 GLU A 48 -18.971 0.265 -4.852 1.00 51.22 O ATOM 806 OE2 GLU A 48 -18.125 0.165 -6.882 1.00 42.01 O ATOM 0 H GLU A 48 -16.408 4.594 -6.294 1.00 72.53 H new ATOM 0 HA GLU A 48 -18.760 4.755 -4.567 1.00 4.42 H new ATOM 0 HB2 GLU A 48 -16.568 2.668 -4.926 1.00 24.34 H new ATOM 0 HB3 GLU A 48 -17.929 2.493 -3.836 1.00 24.34 H new ATOM 0 HG2 GLU A 48 -19.462 2.752 -5.862 1.00 43.15 H new ATOM 0 HG3 GLU A 48 -18.032 2.672 -6.871 1.00 43.15 H new ATOM 813 N LYS A 49 -17.602 6.007 -2.759 1.00 61.04 N ATOM 814 CA LYS A 49 -17.143 6.589 -1.479 1.00 32.14 C ATOM 815 C LYS A 49 -18.067 6.161 -0.321 1.00 41.14 C ATOM 816 O LYS A 49 -17.869 6.567 0.831 1.00 72.30 O ATOM 817 CB LYS A 49 -17.104 8.133 -1.619 1.00 13.21 C ATOM 818 CG LYS A 49 -16.231 8.638 -2.798 1.00 62.30 C ATOM 819 CD LYS A 49 -16.449 10.140 -3.115 1.00 1.53 C ATOM 820 CE LYS A 49 -17.887 10.436 -3.586 1.00 1.53 C ATOM 821 NZ LYS A 49 -18.085 11.874 -3.940 1.00 33.35 N ATOM 0 H LYS A 49 -18.430 6.469 -3.136 1.00 61.04 H new ATOM 0 HA LYS A 49 -16.143 6.222 -1.248 1.00 32.14 H new ATOM 0 HB2 LYS A 49 -18.121 8.501 -1.750 1.00 13.21 H new ATOM 0 HB3 LYS A 49 -16.726 8.562 -0.691 1.00 13.21 H new ATOM 0 HG2 LYS A 49 -15.180 8.471 -2.562 1.00 62.30 H new ATOM 0 HG3 LYS A 49 -16.455 8.049 -3.687 1.00 62.30 H new ATOM 0 HD2 LYS A 49 -16.231 10.732 -2.226 1.00 1.53 H new ATOM 0 HD3 LYS A 49 -15.745 10.452 -3.886 1.00 1.53 H new ATOM 0 HE2 LYS A 49 -18.118 9.816 -4.452 1.00 1.53 H new ATOM 0 HE3 LYS A 49 -18.589 10.158 -2.799 1.00 1.53 H new ATOM 0 HZ1 LYS A 49 -19.066 12.023 -4.250 1.00 33.35 H new ATOM 0 HZ2 LYS A 49 -17.891 12.466 -3.107 1.00 33.35 H new ATOM 0 HZ3 LYS A 49 -17.435 12.135 -4.709 1.00 33.35 H new ATOM 835 N ASN A 50 -19.058 5.306 -0.644 1.00 33.43 N ATOM 836 CA ASN A 50 -20.156 4.937 0.272 1.00 0.43 C ATOM 837 C ASN A 50 -19.824 3.703 1.120 1.00 32.31 C ATOM 838 O ASN A 50 -20.632 3.299 1.965 1.00 13.01 O ATOM 839 CB ASN A 50 -21.455 4.697 -0.540 1.00 1.35 C ATOM 840 CG ASN A 50 -21.960 5.940 -1.274 1.00 30.10 C ATOM 841 OD1 ASN A 50 -21.776 7.071 -0.815 1.00 44.31 O ATOM 842 ND2 ASN A 50 -22.610 5.742 -2.412 1.00 44.35 N ATOM 0 H ASN A 50 -19.119 4.849 -1.554 1.00 33.43 H new ATOM 0 HA ASN A 50 -20.299 5.767 0.964 1.00 0.43 H new ATOM 0 HB2 ASN A 50 -21.277 3.904 -1.266 1.00 1.35 H new ATOM 0 HB3 ASN A 50 -22.234 4.343 0.135 1.00 1.35 H new ATOM 0 HD21 ASN A 50 -22.975 6.537 -2.936 1.00 44.35 H new ATOM 0 HD22 ASN A 50 -22.745 4.794 -2.764 1.00 44.35 H new ATOM 849 N PHE A 51 -18.649 3.100 0.898 1.00 54.44 N ATOM 850 CA PHE A 51 -18.174 1.958 1.698 1.00 41.30 C ATOM 851 C PHE A 51 -16.794 2.277 2.299 1.00 54.04 C ATOM 852 O PHE A 51 -16.170 3.295 1.947 1.00 15.13 O ATOM 853 CB PHE A 51 -18.164 0.649 0.851 1.00 3.25 C ATOM 854 CG PHE A 51 -17.060 0.516 -0.210 1.00 44.34 C ATOM 855 CD1 PHE A 51 -16.890 1.475 -1.209 1.00 31.31 C ATOM 856 CD2 PHE A 51 -16.210 -0.595 -0.218 1.00 51.30 C ATOM 857 CE1 PHE A 51 -15.912 1.329 -2.173 1.00 44.02 C ATOM 858 CE2 PHE A 51 -15.232 -0.735 -1.183 1.00 72.42 C ATOM 859 CZ PHE A 51 -15.084 0.230 -2.161 1.00 74.41 C ATOM 0 H PHE A 51 -18.002 3.386 0.163 1.00 54.44 H new ATOM 0 HA PHE A 51 -18.864 1.788 2.524 1.00 41.30 H new ATOM 0 HB2 PHE A 51 -18.082 -0.196 1.534 1.00 3.25 H new ATOM 0 HB3 PHE A 51 -19.128 0.562 0.350 1.00 3.25 H new ATOM 0 HD1 PHE A 51 -17.532 2.343 -1.229 1.00 31.31 H new ATOM 0 HD2 PHE A 51 -16.320 -1.355 0.542 1.00 51.30 H new ATOM 0 HE1 PHE A 51 -15.796 2.081 -2.940 1.00 44.02 H new ATOM 0 HE2 PHE A 51 -14.583 -1.598 -1.173 1.00 72.42 H new ATOM 0 HZ PHE A 51 -14.319 0.122 -2.916 1.00 74.41 H new ATOM 869 N GLU A 52 -16.330 1.392 3.194 1.00 34.25 N ATOM 870 CA GLU A 52 -15.095 1.583 3.977 1.00 51.31 C ATOM 871 C GLU A 52 -13.819 1.460 3.123 1.00 2.33 C ATOM 872 O GLU A 52 -13.850 1.040 1.956 1.00 32.54 O ATOM 873 CB GLU A 52 -15.027 0.590 5.184 1.00 53.31 C ATOM 874 CG GLU A 52 -14.916 -0.918 4.834 1.00 12.23 C ATOM 875 CD GLU A 52 -16.217 -1.535 4.288 1.00 54.42 C ATOM 876 OE1 GLU A 52 -17.098 -1.901 5.102 1.00 35.43 O ATOM 877 OE2 GLU A 52 -16.385 -1.621 3.053 1.00 30.32 O ATOM 0 H GLU A 52 -16.805 0.513 3.398 1.00 34.25 H new ATOM 0 HA GLU A 52 -15.137 2.604 4.357 1.00 51.31 H new ATOM 0 HB2 GLU A 52 -14.170 0.861 5.801 1.00 53.31 H new ATOM 0 HB3 GLU A 52 -15.918 0.734 5.795 1.00 53.31 H new ATOM 0 HG2 GLU A 52 -14.126 -1.051 4.095 1.00 12.23 H new ATOM 0 HG3 GLU A 52 -14.614 -1.466 5.727 1.00 12.23 H new ATOM 884 N LYS A 53 -12.707 1.853 3.770 1.00 5.12 N ATOM 885 CA LYS A 53 -11.339 1.836 3.225 1.00 62.40 C ATOM 886 C LYS A 53 -10.933 0.465 2.626 1.00 63.32 C ATOM 887 O LYS A 53 -11.334 -0.600 3.119 1.00 44.53 O ATOM 888 CB LYS A 53 -10.298 2.278 4.304 1.00 75.24 C ATOM 889 CG LYS A 53 -10.216 1.432 5.596 1.00 13.14 C ATOM 890 CD LYS A 53 -11.346 1.728 6.600 1.00 13.53 C ATOM 891 CE LYS A 53 -11.128 1.058 7.953 1.00 24.02 C ATOM 892 NZ LYS A 53 -9.841 1.479 8.567 1.00 22.22 N ATOM 0 H LYS A 53 -12.739 2.206 4.727 1.00 5.12 H new ATOM 0 HA LYS A 53 -11.338 2.554 2.405 1.00 62.40 H new ATOM 0 HB2 LYS A 53 -9.312 2.282 3.840 1.00 75.24 H new ATOM 0 HB3 LYS A 53 -10.521 3.307 4.587 1.00 75.24 H new ATOM 0 HG2 LYS A 53 -10.245 0.375 5.331 1.00 13.14 H new ATOM 0 HG3 LYS A 53 -9.256 1.613 6.079 1.00 13.14 H new ATOM 0 HD2 LYS A 53 -11.426 2.806 6.742 1.00 13.53 H new ATOM 0 HD3 LYS A 53 -12.294 1.391 6.182 1.00 13.53 H new ATOM 0 HE2 LYS A 53 -11.951 1.309 8.622 1.00 24.02 H new ATOM 0 HE3 LYS A 53 -11.137 -0.025 7.830 1.00 24.02 H new ATOM 0 HZ1 LYS A 53 -9.187 0.671 8.590 1.00 22.22 H new ATOM 0 HZ2 LYS A 53 -9.423 2.247 8.004 1.00 22.22 H new ATOM 0 HZ3 LYS A 53 -10.012 1.813 9.537 1.00 22.22 H new ATOM 906 N ILE A 54 -10.116 0.538 1.561 1.00 75.34 N ATOM 907 CA ILE A 54 -9.688 -0.615 0.744 1.00 71.43 C ATOM 908 C ILE A 54 -8.165 -0.779 0.900 1.00 24.53 C ATOM 909 O ILE A 54 -7.446 0.210 1.102 1.00 51.43 O ATOM 910 CB ILE A 54 -10.042 -0.422 -0.801 1.00 62.34 C ATOM 911 CG1 ILE A 54 -11.563 -0.116 -1.029 1.00 55.44 C ATOM 912 CG2 ILE A 54 -9.606 -1.648 -1.644 1.00 43.30 C ATOM 913 CD1 ILE A 54 -11.981 1.320 -0.728 1.00 55.41 C ATOM 0 H ILE A 54 -9.724 1.422 1.235 1.00 75.34 H new ATOM 0 HA ILE A 54 -10.220 -1.500 1.092 1.00 71.43 H new ATOM 0 HB ILE A 54 -9.476 0.446 -1.138 1.00 62.34 H new ATOM 0 HG12 ILE A 54 -11.813 -0.342 -2.066 1.00 55.44 H new ATOM 0 HG13 ILE A 54 -12.152 -0.789 -0.405 1.00 55.44 H new ATOM 0 HG21 ILE A 54 -9.863 -1.480 -2.690 1.00 43.30 H new ATOM 0 HG22 ILE A 54 -8.529 -1.788 -1.553 1.00 43.30 H new ATOM 0 HG23 ILE A 54 -10.119 -2.539 -1.283 1.00 43.30 H new ATOM 0 HD11 ILE A 54 -13.049 1.435 -0.915 1.00 55.41 H new ATOM 0 HD12 ILE A 54 -11.769 1.549 0.316 1.00 55.41 H new ATOM 0 HD13 ILE A 54 -11.425 2.003 -1.370 1.00 55.41 H new ATOM 925 N LEU A 55 -7.681 -2.026 0.815 1.00 23.02 N ATOM 926 CA LEU A 55 -6.252 -2.335 0.871 1.00 33.40 C ATOM 927 C LEU A 55 -5.750 -2.710 -0.530 1.00 13.55 C ATOM 928 O LEU A 55 -6.264 -3.644 -1.155 1.00 53.11 O ATOM 929 CB LEU A 55 -5.989 -3.463 1.898 1.00 43.55 C ATOM 930 CG LEU A 55 -4.471 -3.827 2.146 1.00 0.34 C ATOM 931 CD1 LEU A 55 -4.171 -4.027 3.649 1.00 73.40 C ATOM 932 CD2 LEU A 55 -4.022 -5.056 1.314 1.00 71.42 C ATOM 0 H LEU A 55 -8.274 -2.849 0.705 1.00 23.02 H new ATOM 0 HA LEU A 55 -5.699 -1.456 1.203 1.00 33.40 H new ATOM 0 HB2 LEU A 55 -6.434 -3.173 2.850 1.00 43.55 H new ATOM 0 HB3 LEU A 55 -6.509 -4.361 1.564 1.00 43.55 H new ATOM 0 HG LEU A 55 -3.884 -2.975 1.803 1.00 0.34 H new ATOM 0 HD11 LEU A 55 -3.118 -4.276 3.780 1.00 73.40 H new ATOM 0 HD12 LEU A 55 -4.397 -3.108 4.190 1.00 73.40 H new ATOM 0 HD13 LEU A 55 -4.787 -4.838 4.038 1.00 73.40 H new ATOM 0 HD21 LEU A 55 -2.972 -5.269 1.517 1.00 71.42 H new ATOM 0 HD22 LEU A 55 -4.627 -5.921 1.587 1.00 71.42 H new ATOM 0 HD23 LEU A 55 -4.151 -4.844 0.253 1.00 71.42 H new ATOM 944 N ILE A 56 -4.762 -1.947 -1.011 1.00 30.13 N ATOM 945 CA ILE A 56 -4.094 -2.176 -2.300 1.00 45.41 C ATOM 946 C ILE A 56 -2.710 -2.819 -2.050 1.00 25.52 C ATOM 947 O ILE A 56 -2.023 -2.460 -1.097 1.00 51.44 O ATOM 948 CB ILE A 56 -3.905 -0.814 -3.096 1.00 43.43 C ATOM 949 CG1 ILE A 56 -5.246 -0.006 -3.175 1.00 73.32 C ATOM 950 CG2 ILE A 56 -3.325 -1.058 -4.514 1.00 31.43 C ATOM 951 CD1 ILE A 56 -6.397 -0.720 -3.869 1.00 44.40 C ATOM 0 H ILE A 56 -4.397 -1.139 -0.508 1.00 30.13 H new ATOM 0 HA ILE A 56 -4.717 -2.841 -2.899 1.00 45.41 H new ATOM 0 HB ILE A 56 -3.184 -0.215 -2.540 1.00 43.43 H new ATOM 0 HG12 ILE A 56 -5.557 0.250 -2.162 1.00 73.32 H new ATOM 0 HG13 ILE A 56 -5.055 0.932 -3.696 1.00 73.32 H new ATOM 0 HG21 ILE A 56 -3.209 -0.104 -5.029 1.00 31.43 H new ATOM 0 HG22 ILE A 56 -2.354 -1.546 -4.431 1.00 31.43 H new ATOM 0 HG23 ILE A 56 -4.004 -1.696 -5.080 1.00 31.43 H new ATOM 0 HD11 ILE A 56 -7.277 -0.076 -3.870 1.00 44.40 H new ATOM 0 HD12 ILE A 56 -6.115 -0.951 -4.896 1.00 44.40 H new ATOM 0 HD13 ILE A 56 -6.625 -1.644 -3.338 1.00 44.40 H new ATOM 963 N ILE A 57 -2.325 -3.783 -2.895 1.00 63.24 N ATOM 964 CA ILE A 57 -0.952 -4.341 -2.947 1.00 11.12 C ATOM 965 C ILE A 57 -0.382 -4.021 -4.345 1.00 35.34 C ATOM 966 O ILE A 57 -1.148 -3.899 -5.298 1.00 33.40 O ATOM 967 CB ILE A 57 -0.927 -5.910 -2.683 1.00 34.43 C ATOM 968 CG1 ILE A 57 -1.617 -6.254 -1.322 1.00 1.00 C ATOM 969 CG2 ILE A 57 0.522 -6.475 -2.725 1.00 33.20 C ATOM 970 CD1 ILE A 57 -1.719 -7.740 -1.008 1.00 20.54 C ATOM 0 H ILE A 57 -2.958 -4.208 -3.572 1.00 63.24 H new ATOM 0 HA ILE A 57 -0.348 -3.891 -2.159 1.00 11.12 H new ATOM 0 HB ILE A 57 -1.489 -6.387 -3.485 1.00 34.43 H new ATOM 0 HG12 ILE A 57 -1.065 -5.766 -0.519 1.00 1.00 H new ATOM 0 HG13 ILE A 57 -2.621 -5.829 -1.323 1.00 1.00 H new ATOM 0 HG21 ILE A 57 0.499 -7.549 -2.540 1.00 33.20 H new ATOM 0 HG22 ILE A 57 0.959 -6.284 -3.705 1.00 33.20 H new ATOM 0 HG23 ILE A 57 1.125 -5.988 -1.959 1.00 33.20 H new ATOM 0 HD11 ILE A 57 -2.212 -7.875 -0.045 1.00 20.54 H new ATOM 0 HD12 ILE A 57 -2.299 -8.237 -1.785 1.00 20.54 H new ATOM 0 HD13 ILE A 57 -0.719 -8.173 -0.968 1.00 20.54 H new ATOM 982 N SER A 58 0.940 -3.835 -4.448 1.00 72.24 N ATOM 983 CA SER A 58 1.634 -3.603 -5.718 1.00 20.01 C ATOM 984 C SER A 58 3.099 -4.029 -5.574 1.00 33.54 C ATOM 985 O SER A 58 3.807 -3.554 -4.677 1.00 3.51 O ATOM 986 CB SER A 58 1.537 -2.118 -6.136 1.00 10.12 C ATOM 987 OG SER A 58 2.214 -1.868 -7.362 1.00 53.53 O ATOM 0 H SER A 58 1.564 -3.842 -3.641 1.00 72.24 H new ATOM 0 HA SER A 58 1.159 -4.197 -6.499 1.00 20.01 H new ATOM 0 HB2 SER A 58 0.489 -1.836 -6.236 1.00 10.12 H new ATOM 0 HB3 SER A 58 1.962 -1.491 -5.352 1.00 10.12 H new ATOM 0 HG SER A 58 3.112 -1.523 -7.175 1.00 53.53 H new ATOM 993 N ASN A 59 3.533 -4.924 -6.470 1.00 10.10 N ATOM 994 CA ASN A 59 4.908 -5.460 -6.502 1.00 34.41 C ATOM 995 C ASN A 59 5.923 -4.365 -6.897 1.00 42.11 C ATOM 996 O ASN A 59 7.041 -4.312 -6.374 1.00 72.00 O ATOM 997 CB ASN A 59 4.986 -6.670 -7.485 1.00 33.54 C ATOM 998 CG ASN A 59 4.616 -6.345 -8.952 1.00 32.13 C ATOM 999 OD1 ASN A 59 3.820 -5.449 -9.239 1.00 11.45 O ATOM 1000 ND2 ASN A 59 5.187 -7.077 -9.891 1.00 35.02 N ATOM 0 H ASN A 59 2.935 -5.304 -7.204 1.00 10.10 H new ATOM 0 HA ASN A 59 5.168 -5.804 -5.501 1.00 34.41 H new ATOM 0 HB2 ASN A 59 5.999 -7.073 -7.462 1.00 33.54 H new ATOM 0 HB3 ASN A 59 4.322 -7.456 -7.124 1.00 33.54 H new ATOM 0 HD21 ASN A 59 4.972 -6.905 -10.873 1.00 35.02 H new ATOM 0 HD22 ASN A 59 5.843 -7.814 -9.634 1.00 35.02 H new ATOM 1007 N ASP A 60 5.494 -3.476 -7.803 1.00 64.42 N ATOM 1008 CA ASP A 60 6.351 -2.436 -8.398 1.00 63.34 C ATOM 1009 C ASP A 60 6.221 -1.096 -7.636 1.00 33.35 C ATOM 1010 O ASP A 60 5.121 -0.708 -7.227 1.00 0.43 O ATOM 1011 CB ASP A 60 5.970 -2.270 -9.887 1.00 15.25 C ATOM 1012 CG ASP A 60 6.876 -1.285 -10.643 1.00 11.45 C ATOM 1013 OD1 ASP A 60 7.970 -1.693 -11.084 1.00 42.24 O ATOM 1014 OD2 ASP A 60 6.516 -0.102 -10.781 1.00 4.41 O ATOM 0 H ASP A 60 4.534 -3.457 -8.148 1.00 64.42 H new ATOM 0 HA ASP A 60 7.394 -2.742 -8.322 1.00 63.34 H new ATOM 0 HB2 ASP A 60 6.015 -3.243 -10.377 1.00 15.25 H new ATOM 0 HB3 ASP A 60 4.937 -1.927 -9.954 1.00 15.25 H new ATOM 1019 N LYS A 61 7.362 -0.393 -7.497 1.00 53.13 N ATOM 1020 CA LYS A 61 7.487 0.848 -6.695 1.00 61.24 C ATOM 1021 C LYS A 61 7.105 2.111 -7.497 1.00 42.11 C ATOM 1022 O LYS A 61 6.659 3.106 -6.913 1.00 54.11 O ATOM 1023 CB LYS A 61 8.936 0.968 -6.139 1.00 43.55 C ATOM 1024 CG LYS A 61 9.305 -0.124 -5.107 1.00 55.23 C ATOM 1025 CD LYS A 61 10.797 -0.078 -4.683 1.00 4.11 C ATOM 1026 CE LYS A 61 11.121 -0.994 -3.485 1.00 61.33 C ATOM 1027 NZ LYS A 61 10.732 -2.418 -3.707 1.00 13.51 N ATOM 0 H LYS A 61 8.236 -0.672 -7.943 1.00 53.13 H new ATOM 0 HA LYS A 61 6.781 0.780 -5.867 1.00 61.24 H new ATOM 0 HB2 LYS A 61 9.639 0.920 -6.971 1.00 43.55 H new ATOM 0 HB3 LYS A 61 9.057 1.947 -5.676 1.00 43.55 H new ATOM 0 HG2 LYS A 61 8.678 -0.007 -4.223 1.00 55.23 H new ATOM 0 HG3 LYS A 61 9.083 -1.104 -5.528 1.00 55.23 H new ATOM 0 HD2 LYS A 61 11.417 -0.368 -5.531 1.00 4.11 H new ATOM 0 HD3 LYS A 61 11.064 0.948 -4.429 1.00 4.11 H new ATOM 0 HE2 LYS A 61 12.190 -0.945 -3.278 1.00 61.33 H new ATOM 0 HE3 LYS A 61 10.607 -0.618 -2.600 1.00 61.33 H new ATOM 0 HZ1 LYS A 61 11.517 -3.040 -3.427 1.00 13.51 H new ATOM 0 HZ2 LYS A 61 9.893 -2.642 -3.135 1.00 13.51 H new ATOM 0 HZ3 LYS A 61 10.515 -2.566 -4.713 1.00 13.51 H new ATOM 1041 N GLN A 62 7.282 2.067 -8.829 1.00 75.34 N ATOM 1042 CA GLN A 62 6.913 3.192 -9.718 1.00 54.33 C ATOM 1043 C GLN A 62 5.377 3.266 -9.866 1.00 21.04 C ATOM 1044 O GLN A 62 4.823 4.358 -10.040 1.00 35.01 O ATOM 1045 CB GLN A 62 7.608 3.053 -11.100 1.00 53.42 C ATOM 1046 CG GLN A 62 9.145 3.101 -11.037 1.00 24.15 C ATOM 1047 CD GLN A 62 9.817 2.842 -12.391 1.00 35.12 C ATOM 1048 OE1 GLN A 62 10.129 1.699 -12.734 1.00 64.34 O ATOM 1049 NE2 GLN A 62 10.050 3.891 -13.166 1.00 5.32 N ATOM 0 H GLN A 62 7.679 1.265 -9.318 1.00 75.34 H new ATOM 0 HA GLN A 62 7.259 4.124 -9.270 1.00 54.33 H new ATOM 0 HB2 GLN A 62 7.303 2.111 -11.555 1.00 53.42 H new ATOM 0 HB3 GLN A 62 7.257 3.851 -11.754 1.00 53.42 H new ATOM 0 HG2 GLN A 62 9.456 4.078 -10.666 1.00 24.15 H new ATOM 0 HG3 GLN A 62 9.495 2.361 -10.318 1.00 24.15 H new ATOM 0 HE21 GLN A 62 9.781 4.824 -12.855 1.00 5.32 H new ATOM 0 HE22 GLN A 62 10.499 3.765 -14.073 1.00 5.32 H new ATOM 1058 N LEU A 63 4.700 2.094 -9.752 1.00 10.13 N ATOM 1059 CA LEU A 63 3.223 2.014 -9.733 1.00 30.43 C ATOM 1060 C LEU A 63 2.678 2.675 -8.457 1.00 21.13 C ATOM 1061 O LEU A 63 1.654 3.373 -8.506 1.00 32.15 O ATOM 1062 CB LEU A 63 2.715 0.541 -9.817 1.00 55.31 C ATOM 1063 CG LEU A 63 3.107 -0.266 -11.094 1.00 52.54 C ATOM 1064 CD1 LEU A 63 2.414 -1.648 -11.103 1.00 73.33 C ATOM 1065 CD2 LEU A 63 2.822 0.523 -12.388 1.00 52.10 C ATOM 0 H LEU A 63 5.161 1.188 -9.672 1.00 10.13 H new ATOM 0 HA LEU A 63 2.856 2.544 -10.612 1.00 30.43 H new ATOM 0 HB2 LEU A 63 3.089 0.002 -8.946 1.00 55.31 H new ATOM 0 HB3 LEU A 63 1.628 0.552 -9.742 1.00 55.31 H new ATOM 0 HG LEU A 63 4.184 -0.430 -11.062 1.00 52.54 H new ATOM 0 HD11 LEU A 63 2.701 -2.193 -12.002 1.00 73.33 H new ATOM 0 HD12 LEU A 63 2.719 -2.214 -10.222 1.00 73.33 H new ATOM 0 HD13 LEU A 63 1.332 -1.513 -11.091 1.00 73.33 H new ATOM 0 HD21 LEU A 63 3.110 -0.077 -13.251 1.00 52.10 H new ATOM 0 HD22 LEU A 63 1.759 0.755 -12.446 1.00 52.10 H new ATOM 0 HD23 LEU A 63 3.396 1.450 -12.383 1.00 52.10 H new ATOM 1077 N LEU A 64 3.391 2.438 -7.321 1.00 31.14 N ATOM 1078 CA LEU A 64 3.068 3.046 -6.015 1.00 44.33 C ATOM 1079 C LEU A 64 3.026 4.568 -6.132 1.00 32.34 C ATOM 1080 O LEU A 64 2.007 5.166 -5.849 1.00 70.33 O ATOM 1081 CB LEU A 64 4.107 2.668 -4.926 1.00 64.04 C ATOM 1082 CG LEU A 64 4.256 1.161 -4.588 1.00 71.25 C ATOM 1083 CD1 LEU A 64 5.421 0.958 -3.609 1.00 72.41 C ATOM 1084 CD2 LEU A 64 2.944 0.570 -4.032 1.00 71.03 C ATOM 0 H LEU A 64 4.202 1.820 -7.293 1.00 31.14 H new ATOM 0 HA LEU A 64 2.092 2.659 -5.721 1.00 44.33 H new ATOM 0 HB2 LEU A 64 5.081 3.042 -5.242 1.00 64.04 H new ATOM 0 HB3 LEU A 64 3.845 3.197 -4.009 1.00 64.04 H new ATOM 0 HG LEU A 64 4.478 0.623 -5.509 1.00 71.25 H new ATOM 0 HD11 LEU A 64 5.520 -0.102 -3.376 1.00 72.41 H new ATOM 0 HD12 LEU A 64 6.345 1.317 -4.063 1.00 72.41 H new ATOM 0 HD13 LEU A 64 5.227 1.514 -2.692 1.00 72.41 H new ATOM 0 HD21 LEU A 64 3.088 -0.487 -3.807 1.00 71.03 H new ATOM 0 HD22 LEU A 64 2.663 1.100 -3.122 1.00 71.03 H new ATOM 0 HD23 LEU A 64 2.153 0.679 -4.774 1.00 71.03 H new ATOM 1096 N LYS A 65 4.136 5.142 -6.647 1.00 70.12 N ATOM 1097 CA LYS A 65 4.375 6.596 -6.702 1.00 24.44 C ATOM 1098 C LYS A 65 3.240 7.327 -7.450 1.00 33.11 C ATOM 1099 O LYS A 65 2.757 8.371 -6.992 1.00 65.14 O ATOM 1100 CB LYS A 65 5.753 6.868 -7.379 1.00 72.54 C ATOM 1101 CG LYS A 65 6.211 8.346 -7.370 1.00 12.22 C ATOM 1102 CD LYS A 65 6.463 8.889 -5.942 1.00 0.31 C ATOM 1103 CE LYS A 65 6.953 10.347 -5.939 1.00 34.33 C ATOM 1104 NZ LYS A 65 8.239 10.503 -6.674 1.00 1.35 N ATOM 0 H LYS A 65 4.902 4.596 -7.042 1.00 70.12 H new ATOM 0 HA LYS A 65 4.391 6.986 -5.684 1.00 24.44 H new ATOM 0 HB2 LYS A 65 6.511 6.266 -6.878 1.00 72.54 H new ATOM 0 HB3 LYS A 65 5.706 6.525 -8.413 1.00 72.54 H new ATOM 0 HG2 LYS A 65 7.125 8.442 -7.956 1.00 12.22 H new ATOM 0 HG3 LYS A 65 5.453 8.959 -7.858 1.00 12.22 H new ATOM 0 HD2 LYS A 65 5.542 8.818 -5.363 1.00 0.31 H new ATOM 0 HD3 LYS A 65 7.202 8.261 -5.444 1.00 0.31 H new ATOM 0 HE2 LYS A 65 6.195 10.985 -6.394 1.00 34.33 H new ATOM 0 HE3 LYS A 65 7.079 10.685 -4.911 1.00 34.33 H new ATOM 0 HZ1 LYS A 65 8.621 11.456 -6.507 1.00 1.35 H new ATOM 0 HZ2 LYS A 65 8.920 9.793 -6.336 1.00 1.35 H new ATOM 0 HZ3 LYS A 65 8.075 10.369 -7.692 1.00 1.35 H new ATOM 1118 N GLU A 66 2.817 6.746 -8.592 1.00 23.14 N ATOM 1119 CA GLU A 66 1.659 7.236 -9.356 1.00 72.21 C ATOM 1120 C GLU A 66 0.364 7.208 -8.506 1.00 54.35 C ATOM 1121 O GLU A 66 -0.337 8.223 -8.394 1.00 62.31 O ATOM 1122 CB GLU A 66 1.469 6.396 -10.644 1.00 23.53 C ATOM 1123 CG GLU A 66 2.681 6.393 -11.599 1.00 32.54 C ATOM 1124 CD GLU A 66 3.142 7.802 -12.018 1.00 31.21 C ATOM 1125 OE1 GLU A 66 2.366 8.510 -12.697 1.00 33.43 O ATOM 1126 OE2 GLU A 66 4.281 8.201 -11.682 1.00 31.14 O ATOM 0 H GLU A 66 3.268 5.930 -9.005 1.00 23.14 H new ATOM 0 HA GLU A 66 1.858 8.272 -9.630 1.00 72.21 H new ATOM 0 HB2 GLU A 66 1.245 5.368 -10.361 1.00 23.53 H new ATOM 0 HB3 GLU A 66 0.600 6.774 -11.183 1.00 23.53 H new ATOM 0 HG2 GLU A 66 3.511 5.877 -11.117 1.00 32.54 H new ATOM 0 HG3 GLU A 66 2.427 5.823 -12.492 1.00 32.54 H new ATOM 1133 N MET A 67 0.083 6.045 -7.883 1.00 34.02 N ATOM 1134 CA MET A 67 -1.145 5.838 -7.087 1.00 45.21 C ATOM 1135 C MET A 67 -1.210 6.759 -5.850 1.00 65.54 C ATOM 1136 O MET A 67 -2.279 7.259 -5.533 1.00 71.34 O ATOM 1137 CB MET A 67 -1.303 4.353 -6.670 1.00 44.51 C ATOM 1138 CG MET A 67 -1.734 3.414 -7.798 1.00 63.24 C ATOM 1139 SD MET A 67 -2.012 1.714 -7.232 1.00 2.31 S ATOM 1140 CE MET A 67 -0.349 1.108 -6.935 1.00 35.45 C ATOM 0 H MET A 67 0.695 5.229 -7.916 1.00 34.02 H new ATOM 0 HA MET A 67 -1.980 6.107 -7.734 1.00 45.21 H new ATOM 0 HB2 MET A 67 -0.354 4.001 -6.265 1.00 44.51 H new ATOM 0 HB3 MET A 67 -2.035 4.292 -5.865 1.00 44.51 H new ATOM 0 HG2 MET A 67 -2.649 3.795 -8.252 1.00 63.24 H new ATOM 0 HG3 MET A 67 -0.970 3.413 -8.575 1.00 63.24 H new ATOM 0 HE1 MET A 67 -0.311 0.608 -5.967 1.00 35.45 H new ATOM 0 HE2 MET A 67 -0.074 0.402 -7.719 1.00 35.45 H new ATOM 0 HE3 MET A 67 0.349 1.945 -6.939 1.00 35.45 H new ATOM 1150 N LEU A 68 -0.059 6.999 -5.189 1.00 42.45 N ATOM 1151 CA LEU A 68 0.038 7.876 -3.995 1.00 75.31 C ATOM 1152 C LEU A 68 -0.484 9.297 -4.318 1.00 53.10 C ATOM 1153 O LEU A 68 -1.155 9.927 -3.494 1.00 72.22 O ATOM 1154 CB LEU A 68 1.509 7.938 -3.486 1.00 44.41 C ATOM 1155 CG LEU A 68 2.164 6.579 -3.064 1.00 62.51 C ATOM 1156 CD1 LEU A 68 3.676 6.738 -2.826 1.00 14.53 C ATOM 1157 CD2 LEU A 68 1.479 5.962 -1.831 1.00 3.23 C ATOM 0 H LEU A 68 0.834 6.591 -5.466 1.00 42.45 H new ATOM 0 HA LEU A 68 -0.585 7.454 -3.206 1.00 75.31 H new ATOM 0 HB2 LEU A 68 2.122 8.383 -4.270 1.00 44.41 H new ATOM 0 HB3 LEU A 68 1.545 8.613 -2.631 1.00 44.41 H new ATOM 0 HG LEU A 68 2.019 5.889 -3.895 1.00 62.51 H new ATOM 0 HD11 LEU A 68 4.101 5.778 -2.535 1.00 14.53 H new ATOM 0 HD12 LEU A 68 4.154 7.084 -3.742 1.00 14.53 H new ATOM 0 HD13 LEU A 68 3.845 7.466 -2.032 1.00 14.53 H new ATOM 0 HD21 LEU A 68 1.967 5.021 -1.576 1.00 3.23 H new ATOM 0 HD22 LEU A 68 1.556 6.651 -0.989 1.00 3.23 H new ATOM 0 HD23 LEU A 68 0.428 5.777 -2.053 1.00 3.23 H new ATOM 1169 N GLU A 69 -0.195 9.747 -5.556 1.00 33.50 N ATOM 1170 CA GLU A 69 -0.647 11.046 -6.087 1.00 34.41 C ATOM 1171 C GLU A 69 -2.145 11.021 -6.441 1.00 52.31 C ATOM 1172 O GLU A 69 -2.863 11.989 -6.163 1.00 34.40 O ATOM 1173 CB GLU A 69 0.192 11.419 -7.334 1.00 23.23 C ATOM 1174 CG GLU A 69 1.697 11.569 -7.050 1.00 73.25 C ATOM 1175 CD GLU A 69 2.008 12.672 -6.022 1.00 43.13 C ATOM 1176 OE1 GLU A 69 2.029 13.864 -6.405 1.00 74.42 O ATOM 1177 OE2 GLU A 69 2.234 12.359 -4.831 1.00 52.01 O ATOM 0 H GLU A 69 0.364 9.212 -6.221 1.00 33.50 H new ATOM 0 HA GLU A 69 -0.504 11.799 -5.312 1.00 34.41 H new ATOM 0 HB2 GLU A 69 0.051 10.654 -8.097 1.00 23.23 H new ATOM 0 HB3 GLU A 69 -0.185 12.355 -7.747 1.00 23.23 H new ATOM 0 HG2 GLU A 69 2.089 10.619 -6.686 1.00 73.25 H new ATOM 0 HG3 GLU A 69 2.217 11.792 -7.982 1.00 73.25 H new ATOM 1184 N LEU A 70 -2.596 9.904 -7.052 1.00 2.32 N ATOM 1185 CA LEU A 70 -4.007 9.713 -7.465 1.00 13.30 C ATOM 1186 C LEU A 70 -4.951 9.777 -6.242 1.00 71.12 C ATOM 1187 O LEU A 70 -5.893 10.556 -6.215 1.00 13.44 O ATOM 1188 CB LEU A 70 -4.192 8.358 -8.210 1.00 33.34 C ATOM 1189 CG LEU A 70 -3.398 8.173 -9.542 1.00 23.13 C ATOM 1190 CD1 LEU A 70 -3.688 6.791 -10.167 1.00 33.02 C ATOM 1191 CD2 LEU A 70 -3.690 9.314 -10.541 1.00 22.14 C ATOM 0 H LEU A 70 -1.995 9.110 -7.273 1.00 2.32 H new ATOM 0 HA LEU A 70 -4.264 10.522 -8.148 1.00 13.30 H new ATOM 0 HB2 LEU A 70 -3.907 7.555 -7.530 1.00 33.34 H new ATOM 0 HB3 LEU A 70 -5.253 8.231 -8.426 1.00 33.34 H new ATOM 0 HG LEU A 70 -2.335 8.218 -9.304 1.00 23.13 H new ATOM 0 HD11 LEU A 70 -3.124 6.685 -11.094 1.00 33.02 H new ATOM 0 HD12 LEU A 70 -3.391 6.007 -9.470 1.00 33.02 H new ATOM 0 HD13 LEU A 70 -4.754 6.704 -10.379 1.00 33.02 H new ATOM 0 HD21 LEU A 70 -3.120 9.151 -11.456 1.00 22.14 H new ATOM 0 HD22 LEU A 70 -4.755 9.329 -10.775 1.00 22.14 H new ATOM 0 HD23 LEU A 70 -3.402 10.268 -10.099 1.00 22.14 H new ATOM 1203 N ILE A 71 -4.634 8.978 -5.221 1.00 35.42 N ATOM 1204 CA ILE A 71 -5.429 8.855 -3.976 1.00 54.22 C ATOM 1205 C ILE A 71 -5.439 10.190 -3.193 1.00 44.12 C ATOM 1206 O ILE A 71 -6.444 10.560 -2.557 1.00 23.22 O ATOM 1207 CB ILE A 71 -4.837 7.687 -3.102 1.00 63.01 C ATOM 1208 CG1 ILE A 71 -4.849 6.351 -3.917 1.00 12.15 C ATOM 1209 CG2 ILE A 71 -5.592 7.523 -1.762 1.00 43.15 C ATOM 1210 CD1 ILE A 71 -3.936 5.271 -3.368 1.00 25.40 C ATOM 0 H ILE A 71 -3.805 8.384 -5.227 1.00 35.42 H new ATOM 0 HA ILE A 71 -6.464 8.622 -4.229 1.00 54.22 H new ATOM 0 HB ILE A 71 -3.807 7.944 -2.854 1.00 63.01 H new ATOM 0 HG12 ILE A 71 -5.869 5.967 -3.946 1.00 12.15 H new ATOM 0 HG13 ILE A 71 -4.560 6.565 -4.946 1.00 12.15 H new ATOM 0 HG21 ILE A 71 -5.149 6.706 -1.192 1.00 43.15 H new ATOM 0 HG22 ILE A 71 -5.519 8.447 -1.188 1.00 43.15 H new ATOM 0 HG23 ILE A 71 -6.641 7.301 -1.960 1.00 43.15 H new ATOM 0 HD11 ILE A 71 -4.007 4.381 -3.994 1.00 25.40 H new ATOM 0 HD12 ILE A 71 -2.907 5.631 -3.365 1.00 25.40 H new ATOM 0 HD13 ILE A 71 -4.236 5.023 -2.350 1.00 25.40 H new ATOM 1222 N SER A 72 -4.319 10.919 -3.299 1.00 25.34 N ATOM 1223 CA SER A 72 -4.143 12.238 -2.675 1.00 4.34 C ATOM 1224 C SER A 72 -5.092 13.280 -3.295 1.00 60.31 C ATOM 1225 O SER A 72 -5.740 14.038 -2.568 1.00 11.22 O ATOM 1226 CB SER A 72 -2.676 12.687 -2.817 1.00 2.52 C ATOM 1227 OG SER A 72 -2.431 13.918 -2.151 1.00 1.55 O ATOM 0 H SER A 72 -3.503 10.607 -3.825 1.00 25.34 H new ATOM 0 HA SER A 72 -4.392 12.157 -1.617 1.00 4.34 H new ATOM 0 HB2 SER A 72 -2.020 11.917 -2.410 1.00 2.52 H new ATOM 0 HB3 SER A 72 -2.429 12.791 -3.874 1.00 2.52 H new ATOM 0 HG SER A 72 -1.465 14.043 -2.039 1.00 1.55 H new ATOM 1233 N LYS A 73 -5.178 13.311 -4.648 1.00 40.41 N ATOM 1234 CA LYS A 73 -6.069 14.259 -5.356 1.00 2.05 C ATOM 1235 C LYS A 73 -7.538 13.814 -5.259 1.00 3.31 C ATOM 1236 O LYS A 73 -8.440 14.640 -5.414 1.00 72.41 O ATOM 1237 CB LYS A 73 -5.601 14.511 -6.833 1.00 71.21 C ATOM 1238 CG LYS A 73 -5.480 13.279 -7.776 1.00 3.54 C ATOM 1239 CD LYS A 73 -6.826 12.753 -8.331 1.00 13.30 C ATOM 1240 CE LYS A 73 -7.565 13.782 -9.199 1.00 34.44 C ATOM 1241 NZ LYS A 73 -6.806 14.140 -10.427 1.00 70.41 N ATOM 0 H LYS A 73 -4.646 12.696 -5.264 1.00 40.41 H new ATOM 0 HA LYS A 73 -5.999 15.224 -4.854 1.00 2.05 H new ATOM 0 HB2 LYS A 73 -6.297 15.215 -7.289 1.00 71.21 H new ATOM 0 HB3 LYS A 73 -4.629 15.002 -6.797 1.00 71.21 H new ATOM 0 HG2 LYS A 73 -4.835 13.543 -8.614 1.00 3.54 H new ATOM 0 HG3 LYS A 73 -4.986 12.472 -7.235 1.00 3.54 H new ATOM 0 HD2 LYS A 73 -6.643 11.855 -8.920 1.00 13.30 H new ATOM 0 HD3 LYS A 73 -7.467 12.463 -7.498 1.00 13.30 H new ATOM 0 HE2 LYS A 73 -8.539 13.382 -9.481 1.00 34.44 H new ATOM 0 HE3 LYS A 73 -7.748 14.683 -8.613 1.00 34.44 H new ATOM 0 HZ1 LYS A 73 -7.382 14.771 -11.020 1.00 70.41 H new ATOM 0 HZ2 LYS A 73 -5.924 14.624 -10.162 1.00 70.41 H new ATOM 0 HZ3 LYS A 73 -6.580 13.276 -10.960 1.00 70.41 H new ATOM 1255 N LEU A 74 -7.763 12.502 -5.002 1.00 53.20 N ATOM 1256 CA LEU A 74 -9.104 11.962 -4.676 1.00 1.30 C ATOM 1257 C LEU A 74 -9.530 12.412 -3.266 1.00 62.11 C ATOM 1258 O LEU A 74 -10.725 12.483 -2.964 1.00 2.33 O ATOM 1259 CB LEU A 74 -9.122 10.405 -4.773 1.00 2.11 C ATOM 1260 CG LEU A 74 -8.951 9.782 -6.198 1.00 3.12 C ATOM 1261 CD1 LEU A 74 -8.910 8.232 -6.129 1.00 42.13 C ATOM 1262 CD2 LEU A 74 -10.047 10.287 -7.162 1.00 2.30 C ATOM 0 H LEU A 74 -7.027 11.796 -5.015 1.00 53.20 H new ATOM 0 HA LEU A 74 -9.813 12.355 -5.404 1.00 1.30 H new ATOM 0 HB2 LEU A 74 -8.328 10.016 -4.135 1.00 2.11 H new ATOM 0 HB3 LEU A 74 -10.066 10.050 -4.359 1.00 2.11 H new ATOM 0 HG LEU A 74 -7.993 10.113 -6.598 1.00 3.12 H new ATOM 0 HD11 LEU A 74 -8.791 7.826 -7.134 1.00 42.13 H new ATOM 0 HD12 LEU A 74 -8.071 7.917 -5.508 1.00 42.13 H new ATOM 0 HD13 LEU A 74 -9.840 7.862 -5.697 1.00 42.13 H new ATOM 0 HD21 LEU A 74 -9.903 9.837 -8.144 1.00 2.30 H new ATOM 0 HD22 LEU A 74 -11.028 10.009 -6.776 1.00 2.30 H new ATOM 0 HD23 LEU A 74 -9.985 11.372 -7.247 1.00 2.30 H new ATOM 1274 N GLY A 75 -8.534 12.694 -2.411 1.00 31.11 N ATOM 1275 CA GLY A 75 -8.772 13.289 -1.093 1.00 30.11 C ATOM 1276 C GLY A 75 -8.866 12.262 0.020 1.00 41.12 C ATOM 1277 O GLY A 75 -9.302 12.586 1.132 1.00 3.03 O ATOM 0 H GLY A 75 -7.550 12.517 -2.614 1.00 31.11 H new ATOM 0 HA2 GLY A 75 -7.967 13.988 -0.866 1.00 30.11 H new ATOM 0 HA3 GLY A 75 -9.696 13.867 -1.124 1.00 30.11 H new ATOM 1281 N TYR A 76 -8.475 11.014 -0.277 1.00 31.55 N ATOM 1282 CA TYR A 76 -8.429 9.936 0.724 1.00 55.44 C ATOM 1283 C TYR A 76 -7.090 9.973 1.468 1.00 63.32 C ATOM 1284 O TYR A 76 -6.104 10.537 0.966 1.00 10.54 O ATOM 1285 CB TYR A 76 -8.632 8.553 0.059 1.00 21.31 C ATOM 1286 CG TYR A 76 -9.854 8.455 -0.868 1.00 52.04 C ATOM 1287 CD1 TYR A 76 -11.090 9.005 -0.508 1.00 34.53 C ATOM 1288 CD2 TYR A 76 -9.770 7.803 -2.101 1.00 42.11 C ATOM 1289 CE1 TYR A 76 -12.183 8.909 -1.350 1.00 4.40 C ATOM 1290 CE2 TYR A 76 -10.859 7.705 -2.936 1.00 32.24 C ATOM 1291 CZ TYR A 76 -12.058 8.259 -2.559 1.00 11.31 C ATOM 1292 OH TYR A 76 -13.138 8.155 -3.394 1.00 51.00 O ATOM 0 H TYR A 76 -8.184 10.724 -1.210 1.00 31.55 H new ATOM 0 HA TYR A 76 -9.240 10.092 1.435 1.00 55.44 H new ATOM 0 HB2 TYR A 76 -7.738 8.307 -0.514 1.00 21.31 H new ATOM 0 HB3 TYR A 76 -8.726 7.800 0.841 1.00 21.31 H new ATOM 0 HD1 TYR A 76 -11.191 9.511 0.441 1.00 34.53 H new ATOM 0 HD2 TYR A 76 -8.830 7.367 -2.405 1.00 42.11 H new ATOM 0 HE1 TYR A 76 -13.130 9.341 -1.062 1.00 4.40 H new ATOM 0 HE2 TYR A 76 -10.772 7.195 -3.884 1.00 32.24 H new ATOM 0 HH TYR A 76 -13.037 7.363 -3.962 1.00 51.00 H new ATOM 1302 N LYS A 77 -7.070 9.367 2.664 1.00 21.34 N ATOM 1303 CA LYS A 77 -5.874 9.292 3.502 1.00 20.44 C ATOM 1304 C LYS A 77 -4.908 8.262 2.899 1.00 24.54 C ATOM 1305 O LYS A 77 -5.239 7.078 2.800 1.00 13.01 O ATOM 1306 CB LYS A 77 -6.254 8.910 4.952 1.00 52.04 C ATOM 1307 CG LYS A 77 -5.052 8.858 5.933 1.00 21.31 C ATOM 1308 CD LYS A 77 -5.449 8.397 7.353 1.00 3.12 C ATOM 1309 CE LYS A 77 -6.489 9.311 8.026 1.00 32.32 C ATOM 1310 NZ LYS A 77 -5.994 10.702 8.219 1.00 74.44 N ATOM 0 H LYS A 77 -7.887 8.915 3.075 1.00 21.34 H new ATOM 0 HA LYS A 77 -5.386 10.266 3.534 1.00 20.44 H new ATOM 0 HB2 LYS A 77 -6.983 9.629 5.326 1.00 52.04 H new ATOM 0 HB3 LYS A 77 -6.743 7.936 4.943 1.00 52.04 H new ATOM 0 HG2 LYS A 77 -4.295 8.181 5.536 1.00 21.31 H new ATOM 0 HG3 LYS A 77 -4.596 9.846 5.992 1.00 21.31 H new ATOM 0 HD2 LYS A 77 -5.848 7.384 7.300 1.00 3.12 H new ATOM 0 HD3 LYS A 77 -4.556 8.356 7.976 1.00 3.12 H new ATOM 0 HE2 LYS A 77 -7.394 9.333 7.419 1.00 32.32 H new ATOM 0 HE3 LYS A 77 -6.764 8.890 8.993 1.00 32.32 H new ATOM 0 HZ1 LYS A 77 -6.468 11.128 9.041 1.00 74.44 H new ATOM 0 HZ2 LYS A 77 -4.967 10.686 8.382 1.00 74.44 H new ATOM 0 HZ3 LYS A 77 -6.201 11.265 7.370 1.00 74.44 H new ATOM 1324 N VAL A 78 -3.728 8.730 2.488 1.00 41.41 N ATOM 1325 CA VAL A 78 -2.732 7.904 1.797 1.00 72.21 C ATOM 1326 C VAL A 78 -1.790 7.265 2.833 1.00 75.33 C ATOM 1327 O VAL A 78 -1.193 7.969 3.666 1.00 3.34 O ATOM 1328 CB VAL A 78 -1.902 8.750 0.754 1.00 31.21 C ATOM 1329 CG1 VAL A 78 -0.916 7.863 -0.033 1.00 51.44 C ATOM 1330 CG2 VAL A 78 -2.836 9.521 -0.203 1.00 13.41 C ATOM 0 H VAL A 78 -3.434 9.697 2.625 1.00 41.41 H new ATOM 0 HA VAL A 78 -3.256 7.123 1.245 1.00 72.21 H new ATOM 0 HB VAL A 78 -1.316 9.479 1.314 1.00 31.21 H new ATOM 0 HG11 VAL A 78 -0.361 8.477 -0.742 1.00 51.44 H new ATOM 0 HG12 VAL A 78 -0.220 7.389 0.660 1.00 51.44 H new ATOM 0 HG13 VAL A 78 -1.469 7.095 -0.573 1.00 51.44 H new ATOM 0 HG21 VAL A 78 -2.238 10.095 -0.911 1.00 13.41 H new ATOM 0 HG22 VAL A 78 -3.463 8.815 -0.747 1.00 13.41 H new ATOM 0 HG23 VAL A 78 -3.467 10.198 0.372 1.00 13.41 H new ATOM 1340 N PHE A 79 -1.696 5.932 2.785 1.00 23.42 N ATOM 1341 CA PHE A 79 -0.787 5.144 3.625 1.00 24.22 C ATOM 1342 C PHE A 79 0.059 4.253 2.699 1.00 20.23 C ATOM 1343 O PHE A 79 -0.435 3.767 1.680 1.00 4.42 O ATOM 1344 CB PHE A 79 -1.605 4.298 4.648 1.00 1.21 C ATOM 1345 CG PHE A 79 -0.798 3.641 5.789 1.00 41.42 C ATOM 1346 CD1 PHE A 79 0.024 2.538 5.561 1.00 54.54 C ATOM 1347 CD2 PHE A 79 -0.906 4.107 7.105 1.00 72.31 C ATOM 1348 CE1 PHE A 79 0.712 1.926 6.590 1.00 31.43 C ATOM 1349 CE2 PHE A 79 -0.213 3.494 8.137 1.00 64.41 C ATOM 1350 CZ PHE A 79 0.593 2.403 7.877 1.00 25.21 C ATOM 0 H PHE A 79 -2.257 5.362 2.152 1.00 23.42 H new ATOM 0 HA PHE A 79 -0.127 5.793 4.201 1.00 24.22 H new ATOM 0 HB2 PHE A 79 -2.366 4.939 5.092 1.00 1.21 H new ATOM 0 HB3 PHE A 79 -2.128 3.513 4.102 1.00 1.21 H new ATOM 0 HD1 PHE A 79 0.125 2.154 4.557 1.00 54.54 H new ATOM 0 HD2 PHE A 79 -1.538 4.956 7.319 1.00 72.31 H new ATOM 0 HE1 PHE A 79 1.343 1.074 6.386 1.00 31.43 H new ATOM 0 HE2 PHE A 79 -0.303 3.870 9.145 1.00 64.41 H new ATOM 0 HZ PHE A 79 1.130 1.924 8.682 1.00 25.21 H new ATOM 1360 N LEU A 80 1.327 4.045 3.058 1.00 31.34 N ATOM 1361 CA LEU A 80 2.264 3.218 2.284 1.00 64.35 C ATOM 1362 C LEU A 80 3.050 2.320 3.259 1.00 32.23 C ATOM 1363 O LEU A 80 3.379 2.734 4.370 1.00 43.55 O ATOM 1364 CB LEU A 80 3.211 4.133 1.444 1.00 44.22 C ATOM 1365 CG LEU A 80 4.262 3.427 0.514 1.00 73.41 C ATOM 1366 CD1 LEU A 80 3.595 2.501 -0.520 1.00 20.15 C ATOM 1367 CD2 LEU A 80 5.171 4.469 -0.183 1.00 12.43 C ATOM 0 H LEU A 80 1.739 4.447 3.900 1.00 31.34 H new ATOM 0 HA LEU A 80 1.724 2.581 1.584 1.00 64.35 H new ATOM 0 HB2 LEU A 80 2.591 4.778 0.822 1.00 44.22 H new ATOM 0 HB3 LEU A 80 3.753 4.780 2.134 1.00 44.22 H new ATOM 0 HG LEU A 80 4.883 2.799 1.153 1.00 73.41 H new ATOM 0 HD11 LEU A 80 4.362 2.036 -1.140 1.00 20.15 H new ATOM 0 HD12 LEU A 80 3.027 1.727 -0.003 1.00 20.15 H new ATOM 0 HD13 LEU A 80 2.923 3.084 -1.150 1.00 20.15 H new ATOM 0 HD21 LEU A 80 5.890 3.955 -0.821 1.00 12.43 H new ATOM 0 HD22 LEU A 80 4.560 5.137 -0.790 1.00 12.43 H new ATOM 0 HD23 LEU A 80 5.704 5.049 0.571 1.00 12.43 H new ATOM 1379 N LEU A 81 3.313 1.091 2.825 1.00 25.35 N ATOM 1380 CA LEU A 81 4.045 0.067 3.583 1.00 62.50 C ATOM 1381 C LEU A 81 4.903 -0.683 2.565 1.00 74.45 C ATOM 1382 O LEU A 81 4.364 -1.326 1.669 1.00 1.25 O ATOM 1383 CB LEU A 81 3.043 -0.887 4.320 1.00 54.22 C ATOM 1384 CG LEU A 81 3.655 -2.137 5.050 1.00 31.24 C ATOM 1385 CD1 LEU A 81 4.718 -1.734 6.090 1.00 74.20 C ATOM 1386 CD2 LEU A 81 2.544 -3.010 5.692 1.00 31.53 C ATOM 0 H LEU A 81 3.015 0.764 1.906 1.00 25.35 H new ATOM 0 HA LEU A 81 4.673 0.506 4.359 1.00 62.50 H new ATOM 0 HB2 LEU A 81 2.495 -0.299 5.056 1.00 54.22 H new ATOM 0 HB3 LEU A 81 2.315 -1.243 3.591 1.00 54.22 H new ATOM 0 HG LEU A 81 4.159 -2.737 4.292 1.00 31.24 H new ATOM 0 HD11 LEU A 81 5.114 -2.628 6.570 1.00 74.20 H new ATOM 0 HD12 LEU A 81 5.528 -1.199 5.594 1.00 74.20 H new ATOM 0 HD13 LEU A 81 4.265 -1.089 6.842 1.00 74.20 H new ATOM 0 HD21 LEU A 81 2.997 -3.867 6.190 1.00 31.53 H new ATOM 0 HD22 LEU A 81 1.991 -2.417 6.421 1.00 31.53 H new ATOM 0 HD23 LEU A 81 1.862 -3.359 4.917 1.00 31.53 H new ATOM 1398 N LEU A 82 6.231 -0.571 2.680 1.00 5.11 N ATOM 1399 CA LEU A 82 7.166 -1.055 1.642 1.00 14.21 C ATOM 1400 C LEU A 82 8.247 -1.989 2.223 1.00 34.12 C ATOM 1401 O LEU A 82 8.682 -1.808 3.362 1.00 11.22 O ATOM 1402 CB LEU A 82 7.766 0.176 0.860 1.00 24.03 C ATOM 1403 CG LEU A 82 8.127 1.477 1.687 1.00 14.55 C ATOM 1404 CD1 LEU A 82 9.361 1.298 2.584 1.00 41.43 C ATOM 1405 CD2 LEU A 82 8.309 2.698 0.758 1.00 2.14 C ATOM 0 H LEU A 82 6.691 -0.147 3.486 1.00 5.11 H new ATOM 0 HA LEU A 82 6.617 -1.670 0.929 1.00 14.21 H new ATOM 0 HB2 LEU A 82 8.671 -0.159 0.353 1.00 24.03 H new ATOM 0 HB3 LEU A 82 7.053 0.459 0.086 1.00 24.03 H new ATOM 0 HG LEU A 82 7.279 1.658 2.347 1.00 14.55 H new ATOM 0 HD11 LEU A 82 9.556 2.225 3.124 1.00 41.43 H new ATOM 0 HD12 LEU A 82 9.179 0.494 3.297 1.00 41.43 H new ATOM 0 HD13 LEU A 82 10.225 1.048 1.968 1.00 41.43 H new ATOM 0 HD21 LEU A 82 8.556 3.576 1.355 1.00 2.14 H new ATOM 0 HD22 LEU A 82 9.115 2.501 0.052 1.00 2.14 H new ATOM 0 HD23 LEU A 82 7.384 2.880 0.211 1.00 2.14 H new ATOM 1417 N GLN A 83 8.643 -3.003 1.419 1.00 72.44 N ATOM 1418 CA GLN A 83 9.746 -3.928 1.744 1.00 50.11 C ATOM 1419 C GLN A 83 10.535 -4.242 0.467 1.00 13.12 C ATOM 1420 O GLN A 83 9.977 -4.237 -0.647 1.00 51.41 O ATOM 1421 CB GLN A 83 9.247 -5.234 2.460 1.00 12.00 C ATOM 1422 CG GLN A 83 8.578 -6.341 1.596 1.00 24.13 C ATOM 1423 CD GLN A 83 9.539 -7.352 0.930 1.00 14.03 C ATOM 1424 OE1 GLN A 83 9.258 -7.863 -0.155 1.00 75.12 O ATOM 1425 NE2 GLN A 83 10.646 -7.681 1.585 1.00 11.43 N ATOM 0 H GLN A 83 8.201 -3.201 0.521 1.00 72.44 H new ATOM 0 HA GLN A 83 10.406 -3.437 2.460 1.00 50.11 H new ATOM 0 HB2 GLN A 83 10.101 -5.681 2.969 1.00 12.00 H new ATOM 0 HB3 GLN A 83 8.535 -4.939 3.231 1.00 12.00 H new ATOM 0 HG2 GLN A 83 7.880 -6.893 2.225 1.00 24.13 H new ATOM 0 HG3 GLN A 83 7.990 -5.859 0.815 1.00 24.13 H new ATOM 0 HE21 GLN A 83 10.857 -7.244 2.482 1.00 11.43 H new ATOM 0 HE22 GLN A 83 11.286 -8.371 1.191 1.00 11.43 H new ATOM 1434 N ASP A 84 11.835 -4.486 0.649 1.00 3.21 N ATOM 1435 CA ASP A 84 12.770 -4.845 -0.428 1.00 3.12 C ATOM 1436 C ASP A 84 14.037 -5.419 0.220 1.00 3.44 C ATOM 1437 O ASP A 84 14.283 -5.188 1.416 1.00 3.20 O ATOM 1438 CB ASP A 84 13.111 -3.593 -1.300 1.00 44.41 C ATOM 1439 CG ASP A 84 13.730 -3.936 -2.672 1.00 20.23 C ATOM 1440 OD1 ASP A 84 14.966 -4.055 -2.777 1.00 34.12 O ATOM 1441 OD2 ASP A 84 12.969 -4.098 -3.657 1.00 61.45 O ATOM 0 H ASP A 84 12.279 -4.439 1.566 1.00 3.21 H new ATOM 0 HA ASP A 84 12.319 -5.586 -1.088 1.00 3.12 H new ATOM 0 HB2 ASP A 84 12.201 -3.013 -1.457 1.00 44.41 H new ATOM 0 HB3 ASP A 84 13.803 -2.956 -0.749 1.00 44.41 H new ATOM 1446 N GLN A 85 14.840 -6.157 -0.559 1.00 53.45 N ATOM 1447 CA GLN A 85 16.114 -6.731 -0.075 1.00 12.42 C ATOM 1448 C GLN A 85 17.176 -5.628 0.100 1.00 52.21 C ATOM 1449 O GLN A 85 18.047 -5.724 0.969 1.00 13.14 O ATOM 1450 CB GLN A 85 16.583 -7.852 -1.038 1.00 62.02 C ATOM 1451 CG GLN A 85 15.555 -9.004 -1.163 1.00 54.12 C ATOM 1452 CD GLN A 85 15.923 -10.097 -2.175 1.00 71.20 C ATOM 1453 OE1 GLN A 85 15.582 -11.268 -1.990 1.00 44.32 O ATOM 1454 NE2 GLN A 85 16.575 -9.732 -3.269 1.00 74.11 N ATOM 0 H GLN A 85 14.632 -6.374 -1.534 1.00 53.45 H new ATOM 0 HA GLN A 85 15.961 -7.179 0.907 1.00 12.42 H new ATOM 0 HB2 GLN A 85 16.765 -7.425 -2.024 1.00 62.02 H new ATOM 0 HB3 GLN A 85 17.532 -8.255 -0.685 1.00 62.02 H new ATOM 0 HG2 GLN A 85 15.428 -9.465 -0.183 1.00 54.12 H new ATOM 0 HG3 GLN A 85 14.590 -8.581 -1.443 1.00 54.12 H new ATOM 0 HE21 GLN A 85 16.846 -8.758 -3.400 1.00 74.11 H new ATOM 0 HE22 GLN A 85 16.805 -10.425 -3.981 1.00 74.11 H new ATOM 1463 N ASP A 86 17.090 -4.580 -0.741 1.00 50.32 N ATOM 1464 CA ASP A 86 17.891 -3.347 -0.600 1.00 61.24 C ATOM 1465 C ASP A 86 17.078 -2.305 0.190 1.00 53.25 C ATOM 1466 O ASP A 86 16.215 -1.608 -0.370 1.00 74.23 O ATOM 1467 CB ASP A 86 18.294 -2.778 -1.984 1.00 3.43 C ATOM 1468 CG ASP A 86 19.128 -3.759 -2.817 1.00 3.35 C ATOM 1469 OD1 ASP A 86 20.359 -3.830 -2.615 1.00 32.01 O ATOM 1470 OD2 ASP A 86 18.559 -4.474 -3.671 1.00 63.01 O ATOM 0 H ASP A 86 16.459 -4.564 -1.542 1.00 50.32 H new ATOM 0 HA ASP A 86 18.809 -3.584 -0.062 1.00 61.24 H new ATOM 0 HB2 ASP A 86 17.393 -2.514 -2.538 1.00 3.43 H new ATOM 0 HB3 ASP A 86 18.861 -1.858 -1.841 1.00 3.43 H new ATOM 1475 N GLU A 87 17.352 -2.229 1.496 1.00 61.33 N ATOM 1476 CA GLU A 87 16.652 -1.332 2.432 1.00 34.41 C ATOM 1477 C GLU A 87 17.022 0.147 2.173 1.00 24.53 C ATOM 1478 O GLU A 87 16.261 1.064 2.511 1.00 72.41 O ATOM 1479 CB GLU A 87 16.995 -1.744 3.887 1.00 0.33 C ATOM 1480 CG GLU A 87 16.080 -1.120 4.960 1.00 32.22 C ATOM 1481 CD GLU A 87 16.548 -1.376 6.400 1.00 4.24 C ATOM 1482 OE1 GLU A 87 16.665 -2.556 6.791 1.00 33.03 O ATOM 1483 OE2 GLU A 87 16.778 -0.398 7.152 1.00 63.24 O ATOM 0 H GLU A 87 18.074 -2.794 1.942 1.00 61.33 H new ATOM 0 HA GLU A 87 15.577 -1.426 2.276 1.00 34.41 H new ATOM 0 HB2 GLU A 87 16.939 -2.830 3.967 1.00 0.33 H new ATOM 0 HB3 GLU A 87 18.026 -1.461 4.098 1.00 0.33 H new ATOM 0 HG2 GLU A 87 16.021 -0.044 4.793 1.00 32.22 H new ATOM 0 HG3 GLU A 87 15.072 -1.517 4.840 1.00 32.22 H new ATOM 1490 N ASN A 88 18.189 0.354 1.538 1.00 74.40 N ATOM 1491 CA ASN A 88 18.697 1.689 1.175 1.00 42.14 C ATOM 1492 C ASN A 88 17.775 2.403 0.169 1.00 4.13 C ATOM 1493 O ASN A 88 17.726 3.630 0.125 1.00 44.44 O ATOM 1494 CB ASN A 88 20.128 1.574 0.600 1.00 31.44 C ATOM 1495 CG ASN A 88 21.148 1.029 1.605 1.00 45.42 C ATOM 1496 OD1 ASN A 88 22.055 0.280 1.240 1.00 71.03 O ATOM 1497 ND2 ASN A 88 21.044 1.435 2.870 1.00 42.24 N ATOM 0 H ASN A 88 18.811 -0.406 1.260 1.00 74.40 H new ATOM 0 HA ASN A 88 18.718 2.291 2.083 1.00 42.14 H new ATOM 0 HB2 ASN A 88 20.108 0.924 -0.275 1.00 31.44 H new ATOM 0 HB3 ASN A 88 20.454 2.557 0.260 1.00 31.44 H new ATOM 0 HD21 ASN A 88 21.726 1.125 3.563 1.00 42.24 H new ATOM 0 HD22 ASN A 88 20.283 2.056 3.146 1.00 42.24 H new ATOM 1504 N GLU A 89 17.052 1.623 -0.636 1.00 44.22 N ATOM 1505 CA GLU A 89 16.093 2.167 -1.605 1.00 33.00 C ATOM 1506 C GLU A 89 14.793 2.575 -0.890 1.00 0.41 C ATOM 1507 O GLU A 89 14.142 3.555 -1.269 1.00 43.21 O ATOM 1508 CB GLU A 89 15.813 1.122 -2.714 1.00 31.14 C ATOM 1509 CG GLU A 89 17.086 0.481 -3.315 1.00 42.12 C ATOM 1510 CD GLU A 89 18.110 1.514 -3.817 1.00 61.44 C ATOM 1511 OE1 GLU A 89 17.840 2.179 -4.841 1.00 12.54 O ATOM 1512 OE2 GLU A 89 19.174 1.690 -3.174 1.00 43.01 O ATOM 0 H GLU A 89 17.112 0.605 -0.637 1.00 44.22 H new ATOM 0 HA GLU A 89 16.517 3.056 -2.071 1.00 33.00 H new ATOM 0 HB2 GLU A 89 15.181 0.334 -2.304 1.00 31.14 H new ATOM 0 HB3 GLU A 89 15.248 1.600 -3.514 1.00 31.14 H new ATOM 0 HG2 GLU A 89 17.557 -0.150 -2.561 1.00 42.12 H new ATOM 0 HG3 GLU A 89 16.801 -0.169 -4.142 1.00 42.12 H new ATOM 1519 N LEU A 90 14.456 1.813 0.164 1.00 62.10 N ATOM 1520 CA LEU A 90 13.241 2.012 0.967 1.00 62.34 C ATOM 1521 C LEU A 90 13.294 3.320 1.773 1.00 60.55 C ATOM 1522 O LEU A 90 12.284 4.009 1.885 1.00 44.35 O ATOM 1523 CB LEU A 90 13.049 0.807 1.919 1.00 51.15 C ATOM 1524 CG LEU A 90 12.907 -0.585 1.236 1.00 52.30 C ATOM 1525 CD1 LEU A 90 12.822 -1.700 2.295 1.00 3.55 C ATOM 1526 CD2 LEU A 90 11.696 -0.608 0.276 1.00 23.55 C ATOM 0 H LEU A 90 15.028 1.032 0.485 1.00 62.10 H new ATOM 0 HA LEU A 90 12.394 2.085 0.285 1.00 62.34 H new ATOM 0 HB2 LEU A 90 13.898 0.770 2.602 1.00 51.15 H new ATOM 0 HB3 LEU A 90 12.160 0.985 2.524 1.00 51.15 H new ATOM 0 HG LEU A 90 13.797 -0.770 0.635 1.00 52.30 H new ATOM 0 HD11 LEU A 90 12.723 -2.666 1.799 1.00 3.55 H new ATOM 0 HD12 LEU A 90 13.727 -1.695 2.902 1.00 3.55 H new ATOM 0 HD13 LEU A 90 11.955 -1.530 2.934 1.00 3.55 H new ATOM 0 HD21 LEU A 90 11.619 -1.591 -0.188 1.00 23.55 H new ATOM 0 HD22 LEU A 90 10.784 -0.398 0.835 1.00 23.55 H new ATOM 0 HD23 LEU A 90 11.830 0.149 -0.497 1.00 23.55 H new ATOM 1538 N GLU A 91 14.482 3.650 2.329 1.00 5.34 N ATOM 1539 CA GLU A 91 14.667 4.868 3.151 1.00 43.40 C ATOM 1540 C GLU A 91 14.502 6.139 2.293 1.00 21.02 C ATOM 1541 O GLU A 91 13.878 7.105 2.737 1.00 25.32 O ATOM 1542 CB GLU A 91 16.051 4.860 3.873 1.00 34.22 C ATOM 1543 CG GLU A 91 17.276 4.943 2.938 1.00 61.44 C ATOM 1544 CD GLU A 91 18.626 4.964 3.671 1.00 20.35 C ATOM 1545 OE1 GLU A 91 19.013 6.031 4.189 1.00 63.01 O ATOM 1546 OE2 GLU A 91 19.301 3.913 3.742 1.00 62.23 O ATOM 0 H GLU A 91 15.327 3.089 2.223 1.00 5.34 H new ATOM 0 HA GLU A 91 13.893 4.872 3.918 1.00 43.40 H new ATOM 0 HB2 GLU A 91 16.086 5.699 4.568 1.00 34.22 H new ATOM 0 HB3 GLU A 91 16.128 3.950 4.468 1.00 34.22 H new ATOM 0 HG2 GLU A 91 17.258 4.092 2.257 1.00 61.44 H new ATOM 0 HG3 GLU A 91 17.193 5.842 2.327 1.00 61.44 H new ATOM 1553 N GLU A 92 15.022 6.091 1.047 1.00 4.21 N ATOM 1554 CA GLU A 92 15.019 7.236 0.120 1.00 23.12 C ATOM 1555 C GLU A 92 13.619 7.517 -0.433 1.00 50.33 C ATOM 1556 O GLU A 92 13.234 8.682 -0.585 1.00 65.14 O ATOM 1557 CB GLU A 92 16.029 7.004 -1.032 1.00 60.15 C ATOM 1558 CG GLU A 92 17.508 7.112 -0.608 1.00 42.34 C ATOM 1559 CD GLU A 92 17.891 8.517 -0.101 1.00 31.34 C ATOM 1560 OE1 GLU A 92 17.933 9.464 -0.924 1.00 34.22 O ATOM 1561 OE2 GLU A 92 18.139 8.696 1.113 1.00 72.34 O ATOM 0 H GLU A 92 15.456 5.254 0.658 1.00 4.21 H new ATOM 0 HA GLU A 92 15.328 8.117 0.683 1.00 23.12 H new ATOM 0 HB2 GLU A 92 15.856 6.016 -1.458 1.00 60.15 H new ATOM 0 HB3 GLU A 92 15.835 7.730 -1.822 1.00 60.15 H new ATOM 0 HG2 GLU A 92 17.709 6.382 0.176 1.00 42.34 H new ATOM 0 HG3 GLU A 92 18.143 6.853 -1.455 1.00 42.34 H new ATOM 1568 N PHE A 93 12.875 6.444 -0.741 1.00 14.24 N ATOM 1569 CA PHE A 93 11.480 6.542 -1.202 1.00 32.43 C ATOM 1570 C PHE A 93 10.592 7.065 -0.053 1.00 55.21 C ATOM 1571 O PHE A 93 9.824 8.006 -0.246 1.00 32.22 O ATOM 1572 CB PHE A 93 10.990 5.152 -1.713 1.00 70.14 C ATOM 1573 CG PHE A 93 9.627 5.114 -2.437 1.00 14.34 C ATOM 1574 CD1 PHE A 93 9.067 6.252 -3.033 1.00 23.31 C ATOM 1575 CD2 PHE A 93 8.918 3.913 -2.545 1.00 73.21 C ATOM 1576 CE1 PHE A 93 7.849 6.188 -3.694 1.00 53.34 C ATOM 1577 CE2 PHE A 93 7.705 3.855 -3.212 1.00 32.44 C ATOM 1578 CZ PHE A 93 7.172 4.991 -3.787 1.00 41.32 C ATOM 0 H PHE A 93 13.221 5.487 -0.678 1.00 14.24 H new ATOM 0 HA PHE A 93 11.414 7.246 -2.032 1.00 32.43 H new ATOM 0 HB2 PHE A 93 11.745 4.754 -2.391 1.00 70.14 H new ATOM 0 HB3 PHE A 93 10.940 4.476 -0.860 1.00 70.14 H new ATOM 0 HD1 PHE A 93 9.592 7.194 -2.977 1.00 23.31 H new ATOM 0 HD2 PHE A 93 9.323 3.016 -2.101 1.00 73.21 H new ATOM 0 HE1 PHE A 93 7.430 7.079 -4.137 1.00 53.34 H new ATOM 0 HE2 PHE A 93 7.174 2.917 -3.282 1.00 32.44 H new ATOM 0 HZ PHE A 93 6.227 4.942 -4.308 1.00 41.32 H new ATOM 1588 N LYS A 94 10.765 6.474 1.149 1.00 12.33 N ATOM 1589 CA LYS A 94 9.955 6.787 2.347 1.00 32.13 C ATOM 1590 C LYS A 94 10.035 8.277 2.747 1.00 13.50 C ATOM 1591 O LYS A 94 9.005 8.919 2.932 1.00 23.12 O ATOM 1592 CB LYS A 94 10.405 5.894 3.539 1.00 43.33 C ATOM 1593 CG LYS A 94 9.530 6.019 4.804 1.00 71.12 C ATOM 1594 CD LYS A 94 9.997 5.122 5.958 1.00 30.14 C ATOM 1595 CE LYS A 94 11.299 5.615 6.594 1.00 42.12 C ATOM 1596 NZ LYS A 94 11.108 6.890 7.340 1.00 44.14 N ATOM 0 H LYS A 94 11.475 5.761 1.317 1.00 12.33 H new ATOM 0 HA LYS A 94 8.915 6.578 2.095 1.00 32.13 H new ATOM 0 HB2 LYS A 94 10.406 4.853 3.216 1.00 43.33 H new ATOM 0 HB3 LYS A 94 11.433 6.148 3.798 1.00 43.33 H new ATOM 0 HG2 LYS A 94 9.531 7.057 5.137 1.00 71.12 H new ATOM 0 HG3 LYS A 94 8.500 5.767 4.551 1.00 71.12 H new ATOM 0 HD2 LYS A 94 9.218 5.080 6.719 1.00 30.14 H new ATOM 0 HD3 LYS A 94 10.138 4.106 5.590 1.00 30.14 H new ATOM 0 HE2 LYS A 94 11.683 4.852 7.272 1.00 42.12 H new ATOM 0 HE3 LYS A 94 12.050 5.758 5.817 1.00 42.12 H new ATOM 0 HZ1 LYS A 94 11.943 7.075 7.932 1.00 44.14 H new ATOM 0 HZ2 LYS A 94 10.982 7.671 6.665 1.00 44.14 H new ATOM 0 HZ3 LYS A 94 10.265 6.816 7.945 1.00 44.14 H new ATOM 1610 N ARG A 95 11.270 8.809 2.853 1.00 1.22 N ATOM 1611 CA ARG A 95 11.523 10.201 3.313 1.00 65.54 C ATOM 1612 C ARG A 95 10.906 11.265 2.375 1.00 24.21 C ATOM 1613 O ARG A 95 10.663 12.404 2.798 1.00 73.14 O ATOM 1614 CB ARG A 95 13.041 10.437 3.498 1.00 55.05 C ATOM 1615 CG ARG A 95 13.882 10.275 2.213 1.00 1.01 C ATOM 1616 CD ARG A 95 15.399 10.344 2.473 1.00 24.34 C ATOM 1617 NE ARG A 95 15.825 11.664 2.954 1.00 72.21 N ATOM 1618 CZ ARG A 95 17.078 12.145 2.901 1.00 40.45 C ATOM 1619 NH1 ARG A 95 18.088 11.414 2.387 1.00 43.41 N ATOM 1620 NH2 ARG A 95 17.316 13.358 3.392 1.00 25.54 N ATOM 0 H ARG A 95 12.120 8.293 2.625 1.00 1.22 H new ATOM 0 HA ARG A 95 11.025 10.316 4.276 1.00 65.54 H new ATOM 0 HB2 ARG A 95 13.193 11.442 3.891 1.00 55.05 H new ATOM 0 HB3 ARG A 95 13.414 9.741 4.250 1.00 55.05 H new ATOM 0 HG2 ARG A 95 13.642 9.319 1.747 1.00 1.01 H new ATOM 0 HG3 ARG A 95 13.605 11.055 1.503 1.00 1.01 H new ATOM 0 HD2 ARG A 95 15.674 9.587 3.207 1.00 24.34 H new ATOM 0 HD3 ARG A 95 15.934 10.105 1.554 1.00 24.34 H new ATOM 0 HE ARG A 95 15.110 12.266 3.362 1.00 72.21 H new ATOM 0 HH11 ARG A 95 17.908 10.476 2.029 1.00 43.41 H new ATOM 0 HH12 ARG A 95 19.032 11.799 2.357 1.00 43.41 H new ATOM 0 HH21 ARG A 95 16.555 13.902 3.798 1.00 25.54 H new ATOM 0 HH22 ARG A 95 18.260 13.744 3.363 1.00 25.54 H new ATOM 1634 N LYS A 96 10.650 10.879 1.107 1.00 43.13 N ATOM 1635 CA LYS A 96 9.881 11.713 0.162 1.00 12.42 C ATOM 1636 C LYS A 96 8.419 11.778 0.627 1.00 41.14 C ATOM 1637 O LYS A 96 7.864 12.853 0.830 1.00 30.24 O ATOM 1638 CB LYS A 96 9.925 11.130 -1.284 1.00 70.14 C ATOM 1639 CG LYS A 96 11.327 10.925 -1.884 1.00 40.22 C ATOM 1640 CD LYS A 96 12.202 12.201 -1.883 1.00 24.31 C ATOM 1641 CE LYS A 96 13.479 12.026 -2.730 1.00 53.35 C ATOM 1642 NZ LYS A 96 14.243 10.796 -2.374 1.00 1.20 N ATOM 0 H LYS A 96 10.966 9.992 0.714 1.00 43.13 H new ATOM 0 HA LYS A 96 10.328 12.707 0.144 1.00 12.42 H new ATOM 0 HB2 LYS A 96 9.407 10.171 -1.284 1.00 70.14 H new ATOM 0 HB3 LYS A 96 9.364 11.795 -1.940 1.00 70.14 H new ATOM 0 HG2 LYS A 96 11.841 10.144 -1.324 1.00 40.22 H new ATOM 0 HG3 LYS A 96 11.224 10.567 -2.909 1.00 40.22 H new ATOM 0 HD2 LYS A 96 11.622 13.039 -2.270 1.00 24.31 H new ATOM 0 HD3 LYS A 96 12.478 12.451 -0.858 1.00 24.31 H new ATOM 0 HE2 LYS A 96 13.208 11.987 -3.785 1.00 53.35 H new ATOM 0 HE3 LYS A 96 14.120 12.898 -2.598 1.00 53.35 H new ATOM 0 HZ1 LYS A 96 15.245 11.037 -2.237 1.00 1.20 H new ATOM 0 HZ2 LYS A 96 13.861 10.392 -1.495 1.00 1.20 H new ATOM 0 HZ3 LYS A 96 14.156 10.099 -3.141 1.00 1.20 H new ATOM 1656 N ILE A 97 7.857 10.581 0.856 1.00 40.11 N ATOM 1657 CA ILE A 97 6.421 10.359 1.105 1.00 23.20 C ATOM 1658 C ILE A 97 5.977 10.968 2.467 1.00 23.54 C ATOM 1659 O ILE A 97 4.857 11.490 2.576 1.00 53.24 O ATOM 1660 CB ILE A 97 6.117 8.809 1.011 1.00 1.23 C ATOM 1661 CG1 ILE A 97 6.674 8.215 -0.333 1.00 71.00 C ATOM 1662 CG2 ILE A 97 4.620 8.477 1.171 1.00 40.13 C ATOM 1663 CD1 ILE A 97 6.256 8.947 -1.609 1.00 4.33 C ATOM 0 H ILE A 97 8.401 9.718 0.874 1.00 40.11 H new ATOM 0 HA ILE A 97 5.836 10.875 0.343 1.00 23.20 H new ATOM 0 HB ILE A 97 6.632 8.341 1.850 1.00 1.23 H new ATOM 0 HG12 ILE A 97 7.763 8.208 -0.281 1.00 71.00 H new ATOM 0 HG13 ILE A 97 6.352 7.177 -0.410 1.00 71.00 H new ATOM 0 HG21 ILE A 97 4.476 7.399 1.097 1.00 40.13 H new ATOM 0 HG22 ILE A 97 4.272 8.823 2.144 1.00 40.13 H new ATOM 0 HG23 ILE A 97 4.051 8.974 0.385 1.00 40.13 H new ATOM 0 HD11 ILE A 97 6.697 8.452 -2.474 1.00 4.33 H new ATOM 0 HD12 ILE A 97 5.170 8.933 -1.698 1.00 4.33 H new ATOM 0 HD13 ILE A 97 6.603 9.979 -1.566 1.00 4.33 H new ATOM 1675 N GLU A 98 6.878 10.904 3.488 1.00 42.31 N ATOM 1676 CA GLU A 98 6.707 11.614 4.790 1.00 4.02 C ATOM 1677 C GLU A 98 6.498 13.124 4.580 1.00 52.12 C ATOM 1678 O GLU A 98 5.535 13.712 5.091 1.00 10.21 O ATOM 1679 CB GLU A 98 7.946 11.401 5.715 1.00 34.22 C ATOM 1680 CG GLU A 98 8.237 9.936 6.064 1.00 74.55 C ATOM 1681 CD GLU A 98 9.446 9.759 6.990 1.00 23.03 C ATOM 1682 OE1 GLU A 98 9.272 9.799 8.229 1.00 51.23 O ATOM 1683 OE2 GLU A 98 10.574 9.568 6.486 1.00 50.15 O ATOM 0 H GLU A 98 7.740 10.361 3.432 1.00 42.31 H new ATOM 0 HA GLU A 98 5.822 11.191 5.266 1.00 4.02 H new ATOM 0 HB2 GLU A 98 8.824 11.826 5.228 1.00 34.22 H new ATOM 0 HB3 GLU A 98 7.793 11.958 6.640 1.00 34.22 H new ATOM 0 HG2 GLU A 98 7.358 9.502 6.540 1.00 74.55 H new ATOM 0 HG3 GLU A 98 8.409 9.378 5.143 1.00 74.55 H new ATOM 1690 N SER A 99 7.419 13.714 3.795 1.00 24.35 N ATOM 1691 CA SER A 99 7.445 15.160 3.495 1.00 51.35 C ATOM 1692 C SER A 99 6.199 15.581 2.693 1.00 21.12 C ATOM 1693 O SER A 99 5.696 16.694 2.848 1.00 22.35 O ATOM 1694 CB SER A 99 8.734 15.508 2.712 1.00 32.03 C ATOM 1695 OG SER A 99 8.848 16.904 2.493 1.00 71.43 O ATOM 0 H SER A 99 8.174 13.196 3.346 1.00 24.35 H new ATOM 0 HA SER A 99 7.438 15.710 4.436 1.00 51.35 H new ATOM 0 HB2 SER A 99 9.604 15.153 3.265 1.00 32.03 H new ATOM 0 HB3 SER A 99 8.731 14.987 1.754 1.00 32.03 H new ATOM 0 HG SER A 99 9.673 17.091 1.998 1.00 71.43 H new ATOM 1701 N GLN A 100 5.697 14.654 1.865 1.00 23.41 N ATOM 1702 CA GLN A 100 4.509 14.871 1.017 1.00 42.13 C ATOM 1703 C GLN A 100 3.192 14.697 1.817 1.00 12.20 C ATOM 1704 O GLN A 100 2.101 14.755 1.237 1.00 13.43 O ATOM 1705 CB GLN A 100 4.578 13.910 -0.199 1.00 60.41 C ATOM 1706 CG GLN A 100 5.794 14.158 -1.129 1.00 12.31 C ATOM 1707 CD GLN A 100 6.003 13.076 -2.193 1.00 4.25 C ATOM 1708 OE1 GLN A 100 5.056 12.446 -2.654 1.00 11.33 O ATOM 1709 NE2 GLN A 100 7.250 12.852 -2.585 1.00 22.13 N ATOM 0 H GLN A 100 6.105 13.725 1.762 1.00 23.41 H new ATOM 0 HA GLN A 100 4.509 15.900 0.658 1.00 42.13 H new ATOM 0 HB2 GLN A 100 4.614 12.883 0.164 1.00 60.41 H new ATOM 0 HB3 GLN A 100 3.662 14.010 -0.781 1.00 60.41 H new ATOM 0 HG2 GLN A 100 5.667 15.120 -1.626 1.00 12.31 H new ATOM 0 HG3 GLN A 100 6.695 14.231 -0.519 1.00 12.31 H new ATOM 0 HE21 GLN A 100 8.016 13.392 -2.183 1.00 22.13 H new ATOM 0 HE22 GLN A 100 7.443 12.139 -3.289 1.00 22.13 H new ATOM 1718 N GLY A 101 3.310 14.488 3.151 1.00 74.43 N ATOM 1719 CA GLY A 101 2.163 14.518 4.074 1.00 34.32 C ATOM 1720 C GLY A 101 1.468 13.181 4.238 1.00 0.11 C ATOM 1721 O GLY A 101 0.477 13.081 4.972 1.00 34.43 O ATOM 0 H GLY A 101 4.201 14.295 3.609 1.00 74.43 H new ATOM 0 HA2 GLY A 101 2.505 14.860 5.051 1.00 34.32 H new ATOM 0 HA3 GLY A 101 1.440 15.250 3.715 1.00 34.32 H new ATOM 1725 N TYR A 102 1.969 12.157 3.548 1.00 74.10 N ATOM 1726 CA TYR A 102 1.390 10.807 3.590 1.00 1.03 C ATOM 1727 C TYR A 102 2.064 9.999 4.712 1.00 12.20 C ATOM 1728 O TYR A 102 3.247 10.231 5.020 1.00 15.52 O ATOM 1729 CB TYR A 102 1.592 10.092 2.226 1.00 43.14 C ATOM 1730 CG TYR A 102 1.303 10.945 0.971 1.00 43.22 C ATOM 1731 CD1 TYR A 102 0.170 11.761 0.877 1.00 23.25 C ATOM 1732 CD2 TYR A 102 2.164 10.911 -0.133 1.00 74.10 C ATOM 1733 CE1 TYR A 102 -0.081 12.502 -0.265 1.00 20.31 C ATOM 1734 CE2 TYR A 102 1.915 11.651 -1.267 1.00 43.43 C ATOM 1735 CZ TYR A 102 0.796 12.441 -1.331 1.00 72.32 C ATOM 1736 OH TYR A 102 0.548 13.184 -2.468 1.00 31.44 O ATOM 0 H TYR A 102 2.787 12.236 2.944 1.00 74.10 H new ATOM 0 HA TYR A 102 0.321 10.881 3.787 1.00 1.03 H new ATOM 0 HB2 TYR A 102 2.621 9.737 2.172 1.00 43.14 H new ATOM 0 HB3 TYR A 102 0.950 9.212 2.200 1.00 43.14 H new ATOM 0 HD1 TYR A 102 -0.519 11.813 1.707 1.00 23.25 H new ATOM 0 HD2 TYR A 102 3.046 10.289 -0.094 1.00 74.10 H new ATOM 0 HE1 TYR A 102 -0.960 13.126 -0.323 1.00 20.31 H new ATOM 0 HE2 TYR A 102 2.598 11.609 -2.103 1.00 43.43 H new ATOM 0 HH TYR A 102 1.133 12.879 -3.192 1.00 31.44 H new ATOM 1746 N GLU A 103 1.321 9.058 5.325 1.00 72.03 N ATOM 1747 CA GLU A 103 1.894 8.140 6.319 1.00 73.32 C ATOM 1748 C GLU A 103 2.545 6.964 5.584 1.00 33.14 C ATOM 1749 O GLU A 103 1.918 6.332 4.742 1.00 30.32 O ATOM 1750 CB GLU A 103 0.829 7.639 7.328 1.00 13.35 C ATOM 1751 CG GLU A 103 1.375 6.683 8.422 1.00 24.43 C ATOM 1752 CD GLU A 103 2.439 7.324 9.344 1.00 73.14 C ATOM 1753 OE1 GLU A 103 3.646 7.318 8.992 1.00 34.14 O ATOM 1754 OE2 GLU A 103 2.069 7.831 10.425 1.00 43.03 O ATOM 0 H GLU A 103 0.327 8.916 5.148 1.00 72.03 H new ATOM 0 HA GLU A 103 2.644 8.676 6.900 1.00 73.32 H new ATOM 0 HB2 GLU A 103 0.373 8.502 7.813 1.00 13.35 H new ATOM 0 HB3 GLU A 103 0.039 7.127 6.778 1.00 13.35 H new ATOM 0 HG2 GLU A 103 0.543 6.334 9.033 1.00 24.43 H new ATOM 0 HG3 GLU A 103 1.807 5.806 7.941 1.00 24.43 H new ATOM 1761 N VAL A 104 3.817 6.701 5.889 1.00 12.42 N ATOM 1762 CA VAL A 104 4.604 5.650 5.227 1.00 22.35 C ATOM 1763 C VAL A 104 5.436 4.883 6.261 1.00 65.50 C ATOM 1764 O VAL A 104 5.942 5.469 7.231 1.00 75.10 O ATOM 1765 CB VAL A 104 5.496 6.245 4.086 1.00 0.33 C ATOM 1766 CG1 VAL A 104 6.357 7.411 4.585 1.00 21.00 C ATOM 1767 CG2 VAL A 104 6.328 5.153 3.370 1.00 32.42 C ATOM 0 H VAL A 104 4.335 7.211 6.604 1.00 12.42 H new ATOM 0 HA VAL A 104 3.919 4.945 4.757 1.00 22.35 H new ATOM 0 HB VAL A 104 4.823 6.658 3.334 1.00 0.33 H new ATOM 0 HG11 VAL A 104 6.961 7.795 3.763 1.00 21.00 H new ATOM 0 HG12 VAL A 104 5.712 8.204 4.963 1.00 21.00 H new ATOM 0 HG13 VAL A 104 7.012 7.064 5.384 1.00 21.00 H new ATOM 0 HG21 VAL A 104 6.932 5.611 2.586 1.00 32.42 H new ATOM 0 HG22 VAL A 104 6.981 4.662 4.091 1.00 32.42 H new ATOM 0 HG23 VAL A 104 5.657 4.416 2.928 1.00 32.42 H new ATOM 1777 N ARG A 105 5.560 3.573 6.046 1.00 71.22 N ATOM 1778 CA ARG A 105 6.205 2.648 6.976 1.00 63.12 C ATOM 1779 C ARG A 105 7.220 1.780 6.220 1.00 74.33 C ATOM 1780 O ARG A 105 6.873 1.167 5.203 1.00 14.10 O ATOM 1781 CB ARG A 105 5.119 1.758 7.637 1.00 45.24 C ATOM 1782 CG ARG A 105 4.074 2.498 8.517 1.00 75.04 C ATOM 1783 CD ARG A 105 4.590 2.903 9.910 1.00 42.20 C ATOM 1784 NE ARG A 105 5.594 3.983 9.874 1.00 22.33 N ATOM 1785 CZ ARG A 105 5.578 5.084 10.643 1.00 11.35 C ATOM 1786 NH1 ARG A 105 4.608 5.294 11.537 1.00 12.40 N ATOM 1787 NH2 ARG A 105 6.555 5.970 10.526 1.00 20.24 N ATOM 0 H ARG A 105 5.208 3.117 5.204 1.00 71.22 H new ATOM 0 HA ARG A 105 6.733 3.205 7.750 1.00 63.12 H new ATOM 0 HB2 ARG A 105 4.588 1.223 6.850 1.00 45.24 H new ATOM 0 HB3 ARG A 105 5.617 1.008 8.252 1.00 45.24 H new ATOM 0 HG2 ARG A 105 3.743 3.393 7.991 1.00 75.04 H new ATOM 0 HG3 ARG A 105 3.200 1.858 8.638 1.00 75.04 H new ATOM 0 HD2 ARG A 105 3.747 3.222 10.523 1.00 42.20 H new ATOM 0 HD3 ARG A 105 5.025 2.029 10.396 1.00 42.20 H new ATOM 0 HE ARG A 105 6.363 3.886 9.211 1.00 22.33 H new ATOM 0 HH11 ARG A 105 3.859 4.611 11.647 1.00 12.40 H new ATOM 0 HH12 ARG A 105 4.617 6.138 12.110 1.00 12.40 H new ATOM 0 HH21 ARG A 105 7.309 5.813 9.857 1.00 20.24 H new ATOM 0 HH22 ARG A 105 6.554 6.810 11.105 1.00 20.24 H new ATOM 1801 N LYS A 106 8.475 1.747 6.709 1.00 21.10 N ATOM 1802 CA LYS A 106 9.526 0.875 6.163 1.00 3.42 C ATOM 1803 C LYS A 106 9.566 -0.449 6.933 1.00 72.32 C ATOM 1804 O LYS A 106 9.491 -0.452 8.166 1.00 35.23 O ATOM 1805 CB LYS A 106 10.924 1.551 6.253 1.00 25.32 C ATOM 1806 CG LYS A 106 12.095 0.687 5.691 1.00 0.13 C ATOM 1807 CD LYS A 106 13.442 0.938 6.406 1.00 10.24 C ATOM 1808 CE LYS A 106 14.004 2.351 6.211 1.00 31.23 C ATOM 1809 NZ LYS A 106 15.336 2.503 6.878 1.00 40.25 N ATOM 0 H LYS A 106 8.785 2.323 7.491 1.00 21.10 H new ATOM 0 HA LYS A 106 9.289 0.691 5.115 1.00 3.42 H new ATOM 0 HB2 LYS A 106 10.893 2.496 5.710 1.00 25.32 H new ATOM 0 HB3 LYS A 106 11.132 1.789 7.296 1.00 25.32 H new ATOM 0 HG2 LYS A 106 11.835 -0.368 5.782 1.00 0.13 H new ATOM 0 HG3 LYS A 106 12.212 0.895 4.628 1.00 0.13 H new ATOM 0 HD2 LYS A 106 13.314 0.754 7.473 1.00 10.24 H new ATOM 0 HD3 LYS A 106 14.173 0.215 6.044 1.00 10.24 H new ATOM 0 HE2 LYS A 106 14.102 2.562 5.146 1.00 31.23 H new ATOM 0 HE3 LYS A 106 13.305 3.082 6.618 1.00 31.23 H new ATOM 0 HZ1 LYS A 106 15.847 3.303 6.454 1.00 40.25 H new ATOM 0 HZ2 LYS A 106 15.198 2.680 7.893 1.00 40.25 H new ATOM 0 HZ3 LYS A 106 15.889 1.632 6.751 1.00 40.25 H new ATOM 1823 N VAL A 107 9.682 -1.558 6.189 1.00 15.52 N ATOM 1824 CA VAL A 107 9.998 -2.894 6.731 1.00 54.22 C ATOM 1825 C VAL A 107 10.969 -3.593 5.759 1.00 63.44 C ATOM 1826 O VAL A 107 11.219 -3.094 4.661 1.00 50.22 O ATOM 1827 CB VAL A 107 8.717 -3.790 6.961 1.00 34.40 C ATOM 1828 CG1 VAL A 107 7.752 -3.149 7.971 1.00 73.32 C ATOM 1829 CG2 VAL A 107 7.994 -4.113 5.644 1.00 61.42 C ATOM 0 H VAL A 107 9.557 -1.555 5.177 1.00 15.52 H new ATOM 0 HA VAL A 107 10.453 -2.761 7.713 1.00 54.22 H new ATOM 0 HB VAL A 107 9.067 -4.733 7.382 1.00 34.40 H new ATOM 0 HG11 VAL A 107 6.883 -3.794 8.104 1.00 73.32 H new ATOM 0 HG12 VAL A 107 8.259 -3.021 8.928 1.00 73.32 H new ATOM 0 HG13 VAL A 107 7.429 -2.177 7.599 1.00 73.32 H new ATOM 0 HG21 VAL A 107 7.120 -4.731 5.851 1.00 61.42 H new ATOM 0 HG22 VAL A 107 7.678 -3.186 5.165 1.00 61.42 H new ATOM 0 HG23 VAL A 107 8.670 -4.652 4.980 1.00 61.42 H new ATOM 1839 N THR A 108 11.495 -4.747 6.172 1.00 54.42 N ATOM 1840 CA THR A 108 12.423 -5.560 5.351 1.00 1.43 C ATOM 1841 C THR A 108 12.053 -7.044 5.480 1.00 61.44 C ATOM 1842 O THR A 108 12.095 -7.797 4.499 1.00 45.24 O ATOM 1843 CB THR A 108 13.924 -5.320 5.759 1.00 62.44 C ATOM 1844 OG1 THR A 108 14.192 -3.908 5.789 1.00 43.54 O ATOM 1845 CG2 THR A 108 14.917 -5.999 4.785 1.00 34.00 C ATOM 0 H THR A 108 11.295 -5.154 7.086 1.00 54.42 H new ATOM 0 HA THR A 108 12.323 -5.252 4.310 1.00 1.43 H new ATOM 0 HB THR A 108 14.067 -5.764 6.744 1.00 62.44 H new ATOM 0 HG1 THR A 108 15.081 -3.752 6.171 1.00 43.54 H new ATOM 0 HG21 THR A 108 15.938 -5.803 5.111 1.00 34.00 H new ATOM 0 HG22 THR A 108 14.739 -7.074 4.775 1.00 34.00 H new ATOM 0 HG23 THR A 108 14.774 -5.599 3.781 1.00 34.00 H new ATOM 1853 N ASP A 109 11.667 -7.443 6.705 1.00 0.21 N ATOM 1854 CA ASP A 109 11.271 -8.826 7.012 1.00 50.22 C ATOM 1855 C ASP A 109 9.802 -9.086 6.644 1.00 34.23 C ATOM 1856 O ASP A 109 8.975 -8.158 6.588 1.00 31.44 O ATOM 1857 CB ASP A 109 11.459 -9.137 8.516 1.00 52.35 C ATOM 1858 CG ASP A 109 12.910 -9.017 9.005 1.00 12.41 C ATOM 1859 OD1 ASP A 109 13.674 -9.996 8.863 1.00 20.34 O ATOM 1860 OD2 ASP A 109 13.290 -7.953 9.539 1.00 41.02 O ATOM 0 H ASP A 109 11.621 -6.816 7.508 1.00 0.21 H new ATOM 0 HA ASP A 109 11.914 -9.474 6.416 1.00 50.22 H new ATOM 0 HB2 ASP A 109 10.834 -8.459 9.097 1.00 52.35 H new ATOM 0 HB3 ASP A 109 11.103 -10.148 8.714 1.00 52.35 H new ATOM 1865 N ASP A 110 9.520 -10.380 6.427 1.00 30.12 N ATOM 1866 CA ASP A 110 8.164 -10.937 6.249 1.00 10.01 C ATOM 1867 C ASP A 110 7.264 -10.551 7.435 1.00 2.31 C ATOM 1868 O ASP A 110 6.199 -9.946 7.257 1.00 35.43 O ATOM 1869 CB ASP A 110 8.282 -12.493 6.126 1.00 3.43 C ATOM 1870 CG ASP A 110 6.948 -13.269 6.046 1.00 11.02 C ATOM 1871 OD1 ASP A 110 6.283 -13.428 7.092 1.00 63.32 O ATOM 1872 OD2 ASP A 110 6.588 -13.778 4.960 1.00 54.22 O ATOM 0 H ASP A 110 10.249 -11.091 6.368 1.00 30.12 H new ATOM 0 HA ASP A 110 7.710 -10.530 5.345 1.00 10.01 H new ATOM 0 HB2 ASP A 110 8.868 -12.724 5.236 1.00 3.43 H new ATOM 0 HB3 ASP A 110 8.844 -12.864 6.983 1.00 3.43 H new ATOM 1877 N GLU A 111 7.748 -10.897 8.645 1.00 20.20 N ATOM 1878 CA GLU A 111 7.025 -10.714 9.915 1.00 30.31 C ATOM 1879 C GLU A 111 6.652 -9.233 10.157 1.00 41.30 C ATOM 1880 O GLU A 111 5.526 -8.935 10.560 1.00 32.41 O ATOM 1881 CB GLU A 111 7.893 -11.286 11.075 1.00 43.40 C ATOM 1882 CG GLU A 111 9.277 -10.605 11.239 1.00 4.14 C ATOM 1883 CD GLU A 111 10.273 -11.407 12.087 1.00 71.30 C ATOM 1884 OE1 GLU A 111 10.266 -11.273 13.329 1.00 22.10 O ATOM 1885 OE2 GLU A 111 11.066 -12.186 11.504 1.00 71.12 O ATOM 0 H GLU A 111 8.669 -11.319 8.767 1.00 20.20 H new ATOM 0 HA GLU A 111 6.082 -11.259 9.870 1.00 30.31 H new ATOM 0 HB2 GLU A 111 7.340 -11.186 12.009 1.00 43.40 H new ATOM 0 HB3 GLU A 111 8.044 -12.352 10.907 1.00 43.40 H new ATOM 0 HG2 GLU A 111 9.708 -10.439 10.252 1.00 4.14 H new ATOM 0 HG3 GLU A 111 9.136 -9.625 11.694 1.00 4.14 H new ATOM 1892 N GLU A 112 7.594 -8.324 9.831 1.00 62.15 N ATOM 1893 CA GLU A 112 7.443 -6.875 10.048 1.00 52.02 C ATOM 1894 C GLU A 112 6.330 -6.293 9.163 1.00 62.24 C ATOM 1895 O GLU A 112 5.597 -5.386 9.585 1.00 42.44 O ATOM 1896 CB GLU A 112 8.790 -6.175 9.771 1.00 52.13 C ATOM 1897 CG GLU A 112 9.942 -6.614 10.692 1.00 74.43 C ATOM 1898 CD GLU A 112 9.755 -6.222 12.165 1.00 22.30 C ATOM 1899 OE1 GLU A 112 9.914 -5.025 12.488 1.00 11.14 O ATOM 1900 OE2 GLU A 112 9.463 -7.099 13.005 1.00 1.11 O ATOM 0 H GLU A 112 8.486 -8.579 9.407 1.00 62.15 H new ATOM 0 HA GLU A 112 7.155 -6.701 11.085 1.00 52.02 H new ATOM 0 HB2 GLU A 112 9.077 -6.365 8.737 1.00 52.13 H new ATOM 0 HB3 GLU A 112 8.652 -5.098 9.871 1.00 52.13 H new ATOM 0 HG2 GLU A 112 10.052 -7.697 10.627 1.00 74.43 H new ATOM 0 HG3 GLU A 112 10.871 -6.177 10.327 1.00 74.43 H new ATOM 1907 N ALA A 113 6.213 -6.839 7.941 1.00 60.42 N ATOM 1908 CA ALA A 113 5.172 -6.442 6.983 1.00 63.42 C ATOM 1909 C ALA A 113 3.775 -6.812 7.504 1.00 55.44 C ATOM 1910 O ALA A 113 2.866 -5.974 7.493 1.00 52.25 O ATOM 1911 CB ALA A 113 5.433 -7.097 5.622 1.00 10.12 C ATOM 0 H ALA A 113 6.837 -7.566 7.592 1.00 60.42 H new ATOM 0 HA ALA A 113 5.207 -5.359 6.864 1.00 63.42 H new ATOM 0 HB1 ALA A 113 4.656 -6.797 4.919 1.00 10.12 H new ATOM 0 HB2 ALA A 113 6.405 -6.779 5.246 1.00 10.12 H new ATOM 0 HB3 ALA A 113 5.423 -8.181 5.732 1.00 10.12 H new ATOM 1917 N LEU A 114 3.637 -8.059 8.007 1.00 30.45 N ATOM 1918 CA LEU A 114 2.349 -8.599 8.502 1.00 4.12 C ATOM 1919 C LEU A 114 1.889 -7.869 9.787 1.00 12.22 C ATOM 1920 O LEU A 114 0.686 -7.791 10.068 1.00 25.31 O ATOM 1921 CB LEU A 114 2.464 -10.126 8.775 1.00 33.13 C ATOM 1922 CG LEU A 114 3.005 -11.013 7.604 1.00 23.34 C ATOM 1923 CD1 LEU A 114 2.911 -12.511 7.953 1.00 54.01 C ATOM 1924 CD2 LEU A 114 2.295 -10.709 6.271 1.00 53.03 C ATOM 0 H LEU A 114 4.412 -8.718 8.082 1.00 30.45 H new ATOM 0 HA LEU A 114 1.602 -8.431 7.726 1.00 4.12 H new ATOM 0 HB2 LEU A 114 3.114 -10.269 9.638 1.00 33.13 H new ATOM 0 HB3 LEU A 114 1.478 -10.497 9.054 1.00 33.13 H new ATOM 0 HG LEU A 114 4.057 -10.761 7.472 1.00 23.34 H new ATOM 0 HD11 LEU A 114 3.294 -13.103 7.122 1.00 54.01 H new ATOM 0 HD12 LEU A 114 3.502 -12.714 8.846 1.00 54.01 H new ATOM 0 HD13 LEU A 114 1.870 -12.777 8.139 1.00 54.01 H new ATOM 0 HD21 LEU A 114 2.703 -11.348 5.488 1.00 53.03 H new ATOM 0 HD22 LEU A 114 1.227 -10.900 6.376 1.00 53.03 H new ATOM 0 HD23 LEU A 114 2.452 -9.664 6.005 1.00 53.03 H new ATOM 1936 N LYS A 115 2.873 -7.349 10.551 1.00 41.31 N ATOM 1937 CA LYS A 115 2.631 -6.558 11.773 1.00 43.23 C ATOM 1938 C LYS A 115 1.922 -5.233 11.441 1.00 3.11 C ATOM 1939 O LYS A 115 0.818 -4.978 11.918 1.00 2.45 O ATOM 1940 CB LYS A 115 3.975 -6.270 12.512 1.00 74.21 C ATOM 1941 CG LYS A 115 4.588 -7.497 13.234 1.00 25.53 C ATOM 1942 CD LYS A 115 6.090 -7.316 13.560 1.00 42.51 C ATOM 1943 CE LYS A 115 6.390 -6.119 14.474 1.00 14.34 C ATOM 1944 NZ LYS A 115 5.903 -6.334 15.865 1.00 62.34 N ATOM 0 H LYS A 115 3.863 -7.468 10.335 1.00 41.31 H new ATOM 0 HA LYS A 115 1.984 -7.142 12.427 1.00 43.23 H new ATOM 0 HB2 LYS A 115 4.698 -5.891 11.790 1.00 74.21 H new ATOM 0 HB3 LYS A 115 3.810 -5.479 13.244 1.00 74.21 H new ATOM 0 HG2 LYS A 115 4.040 -7.679 14.159 1.00 25.53 H new ATOM 0 HG3 LYS A 115 4.461 -8.381 12.609 1.00 25.53 H new ATOM 0 HD2 LYS A 115 6.460 -8.225 14.035 1.00 42.51 H new ATOM 0 HD3 LYS A 115 6.642 -7.196 12.628 1.00 42.51 H new ATOM 0 HE2 LYS A 115 7.465 -5.938 14.492 1.00 14.34 H new ATOM 0 HE3 LYS A 115 5.923 -5.224 14.062 1.00 14.34 H new ATOM 0 HZ1 LYS A 115 6.128 -5.500 16.444 1.00 62.34 H new ATOM 0 HZ2 LYS A 115 4.873 -6.480 15.854 1.00 62.34 H new ATOM 0 HZ3 LYS A 115 6.367 -7.172 16.270 1.00 62.34 H new ATOM 1958 N ILE A 116 2.559 -4.413 10.589 1.00 64.41 N ATOM 1959 CA ILE A 116 2.118 -3.027 10.327 1.00 21.25 C ATOM 1960 C ILE A 116 0.753 -2.965 9.581 1.00 75.22 C ATOM 1961 O ILE A 116 0.037 -1.954 9.678 1.00 32.15 O ATOM 1962 CB ILE A 116 3.240 -2.191 9.600 1.00 52.23 C ATOM 1963 CG1 ILE A 116 4.560 -2.202 10.453 1.00 34.13 C ATOM 1964 CG2 ILE A 116 2.776 -0.741 9.329 1.00 22.44 C ATOM 1965 CD1 ILE A 116 5.637 -1.226 9.996 1.00 3.41 C ATOM 0 H ILE A 116 3.389 -4.687 10.064 1.00 64.41 H new ATOM 0 HA ILE A 116 1.949 -2.559 11.297 1.00 21.25 H new ATOM 0 HB ILE A 116 3.440 -2.657 8.635 1.00 52.23 H new ATOM 0 HG12 ILE A 116 4.306 -1.978 11.489 1.00 34.13 H new ATOM 0 HG13 ILE A 116 4.975 -3.210 10.437 1.00 34.13 H new ATOM 0 HG21 ILE A 116 3.573 -0.192 8.827 1.00 22.44 H new ATOM 0 HG22 ILE A 116 1.890 -0.755 8.695 1.00 22.44 H new ATOM 0 HG23 ILE A 116 2.538 -0.252 10.274 1.00 22.44 H new ATOM 0 HD11 ILE A 116 6.506 -1.311 10.649 1.00 3.41 H new ATOM 0 HD12 ILE A 116 5.928 -1.459 8.972 1.00 3.41 H new ATOM 0 HD13 ILE A 116 5.248 -0.209 10.040 1.00 3.41 H new ATOM 1977 N VAL A 117 0.395 -4.055 8.857 1.00 11.40 N ATOM 1978 CA VAL A 117 -0.977 -4.257 8.309 1.00 72.24 C ATOM 1979 C VAL A 117 -2.048 -4.002 9.411 1.00 61.12 C ATOM 1980 O VAL A 117 -3.013 -3.274 9.189 1.00 40.41 O ATOM 1981 CB VAL A 117 -1.149 -5.714 7.699 1.00 55.40 C ATOM 1982 CG1 VAL A 117 -2.610 -6.005 7.272 1.00 31.10 C ATOM 1983 CG2 VAL A 117 -0.184 -5.922 6.505 1.00 74.14 C ATOM 0 H VAL A 117 1.040 -4.814 8.636 1.00 11.40 H new ATOM 0 HA VAL A 117 -1.122 -3.537 7.504 1.00 72.24 H new ATOM 0 HB VAL A 117 -0.897 -6.423 8.488 1.00 55.40 H new ATOM 0 HG11 VAL A 117 -2.675 -7.013 6.862 1.00 31.10 H new ATOM 0 HG12 VAL A 117 -3.266 -5.923 8.139 1.00 31.10 H new ATOM 0 HG13 VAL A 117 -2.918 -5.284 6.515 1.00 31.10 H new ATOM 0 HG21 VAL A 117 -0.317 -6.926 6.101 1.00 74.14 H new ATOM 0 HG22 VAL A 117 -0.401 -5.187 5.730 1.00 74.14 H new ATOM 0 HG23 VAL A 117 0.845 -5.800 6.843 1.00 74.14 H new ATOM 1993 N ARG A 118 -1.792 -4.545 10.619 1.00 60.10 N ATOM 1994 CA ARG A 118 -2.686 -4.387 11.791 1.00 74.42 C ATOM 1995 C ARG A 118 -2.660 -2.935 12.306 1.00 22.41 C ATOM 1996 O ARG A 118 -3.707 -2.360 12.611 1.00 4.15 O ATOM 1997 CB ARG A 118 -2.250 -5.311 12.956 1.00 5.15 C ATOM 1998 CG ARG A 118 -1.929 -6.771 12.576 1.00 11.33 C ATOM 1999 CD ARG A 118 -1.168 -7.488 13.707 1.00 43.51 C ATOM 2000 NE ARG A 118 -0.021 -6.673 14.154 1.00 74.52 N ATOM 2001 CZ ARG A 118 0.783 -6.918 15.193 1.00 43.45 C ATOM 2002 NH1 ARG A 118 0.640 -8.002 15.956 1.00 21.33 N ATOM 2003 NH2 ARG A 118 1.744 -6.045 15.462 1.00 55.23 N ATOM 0 H ARG A 118 -0.962 -5.105 10.812 1.00 60.10 H new ATOM 0 HA ARG A 118 -3.690 -4.654 11.462 1.00 74.42 H new ATOM 0 HB2 ARG A 118 -1.368 -4.877 13.428 1.00 5.15 H new ATOM 0 HB3 ARG A 118 -3.042 -5.317 13.705 1.00 5.15 H new ATOM 0 HG2 ARG A 118 -2.855 -7.305 12.362 1.00 11.33 H new ATOM 0 HG3 ARG A 118 -1.332 -6.789 11.664 1.00 11.33 H new ATOM 0 HD2 ARG A 118 -1.840 -7.673 14.545 1.00 43.51 H new ATOM 0 HD3 ARG A 118 -0.818 -8.460 13.359 1.00 43.51 H new ATOM 0 HE ARG A 118 0.179 -5.833 13.612 1.00 74.52 H new ATOM 0 HH11 ARG A 118 -0.100 -8.674 15.754 1.00 21.33 H new ATOM 0 HH12 ARG A 118 1.271 -8.159 16.742 1.00 21.33 H new ATOM 0 HH21 ARG A 118 1.854 -5.213 14.882 1.00 55.23 H new ATOM 0 HH22 ARG A 118 2.373 -6.205 16.249 1.00 55.23 H new ATOM 2017 N GLU A 119 -1.437 -2.374 12.437 1.00 41.41 N ATOM 2018 CA GLU A 119 -1.228 -1.009 12.961 1.00 63.11 C ATOM 2019 C GLU A 119 -1.972 0.051 12.126 1.00 52.02 C ATOM 2020 O GLU A 119 -2.467 1.025 12.690 1.00 0.40 O ATOM 2021 CB GLU A 119 0.292 -0.677 13.091 1.00 33.11 C ATOM 2022 CG GLU A 119 0.977 -1.257 14.359 1.00 54.33 C ATOM 2023 CD GLU A 119 1.090 -2.800 14.400 1.00 52.10 C ATOM 2024 OE1 GLU A 119 0.115 -3.487 14.794 1.00 32.14 O ATOM 2025 OE2 GLU A 119 2.164 -3.336 14.066 1.00 73.05 O ATOM 0 H GLU A 119 -0.573 -2.853 12.184 1.00 41.41 H new ATOM 0 HA GLU A 119 -1.658 -0.980 13.962 1.00 63.11 H new ATOM 0 HB2 GLU A 119 0.809 -1.056 12.210 1.00 33.11 H new ATOM 0 HB3 GLU A 119 0.415 0.406 13.092 1.00 33.11 H new ATOM 0 HG2 GLU A 119 1.978 -0.833 14.437 1.00 54.33 H new ATOM 0 HG3 GLU A 119 0.421 -0.926 15.236 1.00 54.33 H new ATOM 2032 N PHE A 120 -2.062 -0.155 10.794 1.00 64.42 N ATOM 2033 CA PHE A 120 -2.902 0.678 9.897 1.00 42.31 C ATOM 2034 C PHE A 120 -4.364 0.724 10.382 1.00 24.42 C ATOM 2035 O PHE A 120 -4.956 1.801 10.462 1.00 10.35 O ATOM 2036 CB PHE A 120 -2.843 0.127 8.436 1.00 74.21 C ATOM 2037 CG PHE A 120 -3.890 0.723 7.473 1.00 31.10 C ATOM 2038 CD1 PHE A 120 -3.726 1.983 6.917 1.00 42.14 C ATOM 2039 CD2 PHE A 120 -5.050 0.023 7.149 1.00 71.24 C ATOM 2040 CE1 PHE A 120 -4.681 2.522 6.073 1.00 61.21 C ATOM 2041 CE2 PHE A 120 -6.009 0.562 6.314 1.00 42.02 C ATOM 2042 CZ PHE A 120 -5.823 1.808 5.773 1.00 70.24 C ATOM 0 H PHE A 120 -1.559 -0.898 10.310 1.00 64.42 H new ATOM 0 HA PHE A 120 -2.506 1.693 9.915 1.00 42.31 H new ATOM 0 HB2 PHE A 120 -1.849 0.318 8.031 1.00 74.21 H new ATOM 0 HB3 PHE A 120 -2.973 -0.955 8.466 1.00 74.21 H new ATOM 0 HD1 PHE A 120 -2.838 2.553 7.147 1.00 42.14 H new ATOM 0 HD2 PHE A 120 -5.203 -0.964 7.560 1.00 71.24 H new ATOM 0 HE1 PHE A 120 -4.532 3.504 5.648 1.00 61.21 H new ATOM 0 HE2 PHE A 120 -6.905 0.003 6.087 1.00 42.02 H new ATOM 0 HZ PHE A 120 -6.568 2.229 5.114 1.00 70.24 H new ATOM 2052 N MET A 121 -4.902 -0.465 10.711 1.00 31.24 N ATOM 2053 CA MET A 121 -6.335 -0.665 11.034 1.00 33.33 C ATOM 2054 C MET A 121 -6.799 0.209 12.225 1.00 74.43 C ATOM 2055 O MET A 121 -7.971 0.601 12.292 1.00 21.32 O ATOM 2056 CB MET A 121 -6.635 -2.170 11.312 1.00 52.40 C ATOM 2057 CG MET A 121 -6.066 -3.141 10.250 1.00 41.12 C ATOM 2058 SD MET A 121 -6.281 -2.522 8.572 1.00 51.42 S ATOM 2059 CE MET A 121 -5.628 -3.828 7.530 1.00 51.44 C ATOM 0 H MET A 121 -4.354 -1.323 10.762 1.00 31.24 H new ATOM 0 HA MET A 121 -6.903 -0.347 10.160 1.00 33.33 H new ATOM 0 HB2 MET A 121 -6.225 -2.436 12.286 1.00 52.40 H new ATOM 0 HB3 MET A 121 -7.715 -2.308 11.372 1.00 52.40 H new ATOM 0 HG2 MET A 121 -5.005 -3.304 10.441 1.00 41.12 H new ATOM 0 HG3 MET A 121 -6.559 -4.108 10.344 1.00 41.12 H new ATOM 0 HE1 MET A 121 -5.175 -3.391 6.640 1.00 51.44 H new ATOM 0 HE2 MET A 121 -4.875 -4.391 8.081 1.00 51.44 H new ATOM 0 HE3 MET A 121 -6.437 -4.496 7.234 1.00 51.44 H new ATOM 2069 N GLN A 122 -5.873 0.509 13.156 1.00 40.31 N ATOM 2070 CA GLN A 122 -6.146 1.376 14.328 1.00 22.34 C ATOM 2071 C GLN A 122 -5.655 2.838 14.105 1.00 2.34 C ATOM 2072 O GLN A 122 -6.290 3.783 14.585 1.00 14.52 O ATOM 2073 CB GLN A 122 -5.502 0.763 15.606 1.00 31.21 C ATOM 2074 CG GLN A 122 -3.991 0.506 15.513 1.00 54.14 C ATOM 2075 CD GLN A 122 -3.402 -0.111 16.788 1.00 73.41 C ATOM 2076 OE1 GLN A 122 -3.333 -1.330 16.930 1.00 12.24 O ATOM 2077 NE2 GLN A 122 -2.989 0.729 17.728 1.00 54.21 N ATOM 0 H GLN A 122 -4.915 0.160 13.121 1.00 40.31 H new ATOM 0 HA GLN A 122 -7.227 1.423 14.461 1.00 22.34 H new ATOM 0 HB2 GLN A 122 -5.690 1.432 16.446 1.00 31.21 H new ATOM 0 HB3 GLN A 122 -6.002 -0.179 15.830 1.00 31.21 H new ATOM 0 HG2 GLN A 122 -3.793 -0.158 14.671 1.00 54.14 H new ATOM 0 HG3 GLN A 122 -3.481 1.447 15.304 1.00 54.14 H new ATOM 0 HE21 GLN A 122 -3.060 1.736 17.579 1.00 54.21 H new ATOM 0 HE22 GLN A 122 -2.601 0.368 18.599 1.00 54.21 H new ATOM 2086 N LYS A 123 -4.540 3.017 13.354 1.00 14.21 N ATOM 2087 CA LYS A 123 -3.834 4.331 13.219 1.00 71.31 C ATOM 2088 C LYS A 123 -4.610 5.252 12.261 1.00 45.30 C ATOM 2089 O LYS A 123 -4.966 6.381 12.611 1.00 53.14 O ATOM 2090 CB LYS A 123 -2.354 4.126 12.701 1.00 62.14 C ATOM 2091 CG LYS A 123 -1.246 5.089 13.246 1.00 23.42 C ATOM 2092 CD LYS A 123 -1.276 6.567 12.726 1.00 24.51 C ATOM 2093 CE LYS A 123 -2.141 7.520 13.572 1.00 52.30 C ATOM 2094 NZ LYS A 123 -1.748 7.528 15.009 1.00 13.43 N ATOM 0 H LYS A 123 -4.101 2.264 12.825 1.00 14.21 H new ATOM 0 HA LYS A 123 -3.789 4.798 14.203 1.00 71.31 H new ATOM 0 HB2 LYS A 123 -2.055 3.105 12.938 1.00 62.14 H new ATOM 0 HB3 LYS A 123 -2.365 4.211 11.614 1.00 62.14 H new ATOM 0 HG2 LYS A 123 -1.319 5.110 14.333 1.00 23.42 H new ATOM 0 HG3 LYS A 123 -0.274 4.662 13.000 1.00 23.42 H new ATOM 0 HD2 LYS A 123 -0.256 6.950 12.697 1.00 24.51 H new ATOM 0 HD3 LYS A 123 -1.647 6.572 11.701 1.00 24.51 H new ATOM 0 HE2 LYS A 123 -2.060 8.530 13.171 1.00 52.30 H new ATOM 0 HE3 LYS A 123 -3.187 7.227 13.487 1.00 52.30 H new ATOM 0 HZ1 LYS A 123 -2.058 8.418 15.449 1.00 13.43 H new ATOM 0 HZ2 LYS A 123 -2.197 6.726 15.496 1.00 13.43 H new ATOM 0 HZ3 LYS A 123 -0.714 7.446 15.087 1.00 13.43 H new ATOM 2108 N ALA A 124 -4.889 4.733 11.054 1.00 12.22 N ATOM 2109 CA ALA A 124 -5.509 5.506 9.967 1.00 1.13 C ATOM 2110 C ALA A 124 -6.991 5.850 10.245 1.00 25.24 C ATOM 2111 O ALA A 124 -7.598 6.604 9.478 1.00 32.41 O ATOM 2112 CB ALA A 124 -5.357 4.750 8.645 1.00 33.42 C ATOM 0 H ALA A 124 -4.690 3.764 10.805 1.00 12.22 H new ATOM 0 HA ALA A 124 -4.986 6.460 9.901 1.00 1.13 H new ATOM 0 HB1 ALA A 124 -5.817 5.325 7.842 1.00 33.42 H new ATOM 0 HB2 ALA A 124 -4.299 4.606 8.428 1.00 33.42 H new ATOM 0 HB3 ALA A 124 -5.847 3.779 8.723 1.00 33.42 H new ATOM 2118 N GLY A 125 -7.571 5.287 11.328 1.00 14.22 N ATOM 2119 CA GLY A 125 -8.885 5.716 11.815 1.00 55.41 C ATOM 2120 C GLY A 125 -8.766 6.999 12.632 1.00 1.41 C ATOM 2121 O GLY A 125 -8.988 6.996 13.843 1.00 12.23 O ATOM 0 H GLY A 125 -7.146 4.538 11.874 1.00 14.22 H new ATOM 0 HA2 GLY A 125 -9.556 5.877 10.971 1.00 55.41 H new ATOM 0 HA3 GLY A 125 -9.326 4.929 12.427 1.00 55.41 H new ATOM 2125 N SER A 126 -8.367 8.090 11.957 1.00 14.00 N ATOM 2126 CA SER A 126 -8.125 9.400 12.576 1.00 34.10 C ATOM 2127 C SER A 126 -8.545 10.509 11.597 1.00 15.54 C ATOM 2128 O SER A 126 -7.821 10.807 10.637 1.00 34.53 O ATOM 2129 CB SER A 126 -6.625 9.532 12.957 1.00 21.42 C ATOM 2130 OG SER A 126 -6.246 8.574 13.940 1.00 15.24 O ATOM 0 H SER A 126 -8.202 8.084 10.951 1.00 14.00 H new ATOM 0 HA SER A 126 -8.716 9.496 13.487 1.00 34.10 H new ATOM 0 HB2 SER A 126 -6.010 9.402 12.066 1.00 21.42 H new ATOM 0 HB3 SER A 126 -6.432 10.536 13.334 1.00 21.42 H new ATOM 0 HG SER A 126 -5.807 7.814 13.504 1.00 15.24 H new ATOM 2136 N LEU A 127 -9.749 11.074 11.818 1.00 71.05 N ATOM 2137 CA LEU A 127 -10.296 12.157 10.985 1.00 12.34 C ATOM 2138 C LEU A 127 -9.621 13.476 11.416 1.00 3.50 C ATOM 2139 O LEU A 127 -10.078 14.152 12.341 1.00 14.04 O ATOM 2140 CB LEU A 127 -11.864 12.194 11.120 1.00 24.23 C ATOM 2141 CG LEU A 127 -12.690 12.969 10.017 1.00 11.00 C ATOM 2142 CD1 LEU A 127 -12.517 14.505 10.097 1.00 74.25 C ATOM 2143 CD2 LEU A 127 -12.353 12.444 8.602 1.00 11.33 C ATOM 0 H LEU A 127 -10.367 10.791 12.579 1.00 71.05 H new ATOM 0 HA LEU A 127 -10.084 11.995 9.928 1.00 12.34 H new ATOM 0 HB2 LEU A 127 -12.221 11.164 11.141 1.00 24.23 H new ATOM 0 HB3 LEU A 127 -12.105 12.635 12.087 1.00 24.23 H new ATOM 0 HG LEU A 127 -13.742 12.768 10.221 1.00 11.00 H new ATOM 0 HD11 LEU A 127 -13.109 14.979 9.314 1.00 74.25 H new ATOM 0 HD12 LEU A 127 -12.854 14.859 11.071 1.00 74.25 H new ATOM 0 HD13 LEU A 127 -11.466 14.760 9.962 1.00 74.25 H new ATOM 0 HD21 LEU A 127 -12.935 12.994 7.862 1.00 11.33 H new ATOM 0 HD22 LEU A 127 -11.290 12.584 8.405 1.00 11.33 H new ATOM 0 HD23 LEU A 127 -12.597 11.383 8.540 1.00 11.33 H new ATOM 2155 N GLU A 128 -8.504 13.804 10.760 1.00 33.20 N ATOM 2156 CA GLU A 128 -7.689 14.977 11.101 1.00 63.34 C ATOM 2157 C GLU A 128 -8.301 16.261 10.530 1.00 43.33 C ATOM 2158 O GLU A 128 -8.688 16.308 9.361 1.00 43.24 O ATOM 2159 CB GLU A 128 -6.240 14.801 10.570 1.00 72.42 C ATOM 2160 CG GLU A 128 -5.492 13.591 11.160 1.00 51.21 C ATOM 2161 CD GLU A 128 -5.384 13.644 12.695 1.00 34.13 C ATOM 2162 OE1 GLU A 128 -4.646 14.510 13.222 1.00 30.11 O ATOM 2163 OE2 GLU A 128 -6.031 12.830 13.387 1.00 64.23 O ATOM 0 H GLU A 128 -8.138 13.264 9.976 1.00 33.20 H new ATOM 0 HA GLU A 128 -7.664 15.062 12.187 1.00 63.34 H new ATOM 0 HB2 GLU A 128 -6.273 14.700 9.485 1.00 72.42 H new ATOM 0 HB3 GLU A 128 -5.673 15.706 10.789 1.00 72.42 H new ATOM 0 HG2 GLU A 128 -6.006 12.675 10.868 1.00 51.21 H new ATOM 0 HG3 GLU A 128 -4.491 13.545 10.732 1.00 51.21 H new ATOM 2170 N HIS A 129 -8.391 17.291 11.383 1.00 41.52 N ATOM 2171 CA HIS A 129 -8.754 18.664 10.986 1.00 32.24 C ATOM 2172 C HIS A 129 -7.490 19.534 10.922 1.00 51.25 C ATOM 2173 O HIS A 129 -7.558 20.758 11.119 1.00 62.02 O ATOM 2174 CB HIS A 129 -9.786 19.262 11.983 1.00 31.15 C ATOM 2175 CG HIS A 129 -11.084 18.513 12.050 1.00 34.12 C ATOM 2176 ND1 HIS A 129 -11.598 18.002 13.218 1.00 54.22 N ATOM 2177 CD2 HIS A 129 -11.985 18.213 11.086 1.00 42.44 C ATOM 2178 CE1 HIS A 129 -12.753 17.422 12.973 1.00 53.14 C ATOM 2179 NE2 HIS A 129 -13.013 17.536 11.687 1.00 62.42 N ATOM 0 H HIS A 129 -8.212 17.195 12.383 1.00 41.52 H new ATOM 0 HA HIS A 129 -9.215 18.641 9.998 1.00 32.24 H new ATOM 0 HB2 HIS A 129 -9.341 19.285 12.978 1.00 31.15 H new ATOM 0 HB3 HIS A 129 -9.990 20.295 11.701 1.00 31.15 H new ATOM 0 HD2 HIS A 129 -11.908 18.461 10.038 1.00 42.44 H new ATOM 0 HE1 HIS A 129 -13.382 16.935 13.703 1.00 53.14 H new ATOM 0 HE2 HIS A 129 -13.844 17.179 11.216 1.00 62.42 H new ATOM 2188 N HIS A 130 -6.338 18.885 10.632 1.00 23.14 N ATOM 2189 CA HIS A 130 -5.054 19.561 10.408 1.00 70.34 C ATOM 2190 C HIS A 130 -5.186 20.542 9.230 1.00 12.55 C ATOM 2191 O HIS A 130 -5.556 20.131 8.117 1.00 52.51 O ATOM 2192 CB HIS A 130 -3.930 18.530 10.119 1.00 13.44 C ATOM 2193 CG HIS A 130 -2.598 19.161 9.778 1.00 31.34 C ATOM 2194 ND1 HIS A 130 -2.120 19.265 8.486 1.00 15.12 N ATOM 2195 CD2 HIS A 130 -1.658 19.736 10.562 1.00 1.25 C ATOM 2196 CE1 HIS A 130 -0.953 19.871 8.494 1.00 11.24 C ATOM 2197 NE2 HIS A 130 -0.654 20.166 9.736 1.00 51.54 N ATOM 0 H HIS A 130 -6.281 17.870 10.548 1.00 23.14 H new ATOM 0 HA HIS A 130 -4.787 20.111 11.311 1.00 70.34 H new ATOM 0 HB2 HIS A 130 -3.805 17.888 10.991 1.00 13.44 H new ATOM 0 HB3 HIS A 130 -4.240 17.889 9.294 1.00 13.44 H new ATOM 0 HD2 HIS A 130 -1.693 19.837 11.637 1.00 1.25 H new ATOM 0 HE1 HIS A 130 -0.346 20.088 7.628 1.00 11.24 H new ATOM 0 HE2 HIS A 130 0.195 20.642 10.040 1.00 51.54 H new ATOM 2206 N HIS A 131 -4.885 21.820 9.502 1.00 24.35 N ATOM 2207 CA HIS A 131 -5.013 22.908 8.527 1.00 72.02 C ATOM 2208 C HIS A 131 -4.009 22.728 7.381 1.00 22.42 C ATOM 2209 O HIS A 131 -2.859 22.333 7.601 1.00 33.02 O ATOM 2210 CB HIS A 131 -4.849 24.289 9.221 1.00 54.31 C ATOM 2211 CG HIS A 131 -5.986 24.658 10.150 1.00 5.42 C ATOM 2212 ND1 HIS A 131 -6.406 25.955 10.336 1.00 54.32 N ATOM 2213 CD2 HIS A 131 -6.783 23.902 10.949 1.00 31.02 C ATOM 2214 CE1 HIS A 131 -7.398 25.981 11.198 1.00 33.31 C ATOM 2215 NE2 HIS A 131 -7.647 24.753 11.583 1.00 15.54 N ATOM 0 H HIS A 131 -4.543 22.128 10.412 1.00 24.35 H new ATOM 0 HA HIS A 131 -6.014 22.873 8.097 1.00 72.02 H new ATOM 0 HB2 HIS A 131 -3.918 24.290 9.787 1.00 54.31 H new ATOM 0 HB3 HIS A 131 -4.757 25.059 8.455 1.00 54.31 H new ATOM 0 HD2 HIS A 131 -6.742 22.829 11.063 1.00 31.02 H new ATOM 0 HE1 HIS A 131 -7.920 26.865 11.533 1.00 33.31 H new ATOM 0 HE2 HIS A 131 -8.369 24.476 12.248 1.00 15.54 H new ATOM 2224 N HIS A 132 -4.470 23.023 6.159 1.00 52.33 N ATOM 2225 CA HIS A 132 -3.710 22.794 4.911 1.00 52.34 C ATOM 2226 C HIS A 132 -2.554 23.800 4.740 1.00 33.14 C ATOM 2227 O HIS A 132 -1.756 23.686 3.805 1.00 74.43 O ATOM 2228 CB HIS A 132 -4.663 22.846 3.695 1.00 3.04 C ATOM 2229 CG HIS A 132 -5.748 21.793 3.712 1.00 1.12 C ATOM 2230 ND1 HIS A 132 -5.677 20.625 2.981 1.00 15.40 N ATOM 2231 CD2 HIS A 132 -6.943 21.750 4.352 1.00 71.15 C ATOM 2232 CE1 HIS A 132 -6.775 19.919 3.169 1.00 5.02 C ATOM 2233 NE2 HIS A 132 -7.555 20.578 3.996 1.00 31.11 N ATOM 0 H HIS A 132 -5.391 23.432 6.001 1.00 52.33 H new ATOM 0 HA HIS A 132 -3.261 21.803 4.974 1.00 52.34 H new ATOM 0 HB2 HIS A 132 -5.129 23.831 3.654 1.00 3.04 H new ATOM 0 HB3 HIS A 132 -4.077 22.733 2.783 1.00 3.04 H new ATOM 0 HD2 HIS A 132 -7.339 22.501 5.019 1.00 71.15 H new ATOM 0 HE1 HIS A 132 -6.996 18.962 2.720 1.00 5.02 H new ATOM 0 HE2 HIS A 132 -8.470 20.266 4.321 1.00 31.11 H new ATOM 2242 N HIS A 133 -2.504 24.805 5.627 1.00 53.12 N ATOM 2243 CA HIS A 133 -1.357 25.719 5.765 1.00 55.04 C ATOM 2244 C HIS A 133 -0.733 25.543 7.163 1.00 72.53 C ATOM 2245 O HIS A 133 -1.415 25.773 8.173 1.00 42.14 O ATOM 2246 CB HIS A 133 -1.794 27.193 5.551 1.00 42.10 C ATOM 2247 CG HIS A 133 -2.184 27.535 4.134 1.00 21.32 C ATOM 2248 ND1 HIS A 133 -1.482 28.427 3.352 1.00 14.32 N ATOM 2249 CD2 HIS A 133 -3.223 27.121 3.374 1.00 62.32 C ATOM 2250 CE1 HIS A 133 -2.074 28.547 2.181 1.00 54.51 C ATOM 2251 NE2 HIS A 133 -3.130 27.765 2.170 1.00 60.31 N ATOM 0 H HIS A 133 -3.265 25.009 6.275 1.00 53.12 H new ATOM 0 HA HIS A 133 -0.617 25.476 5.002 1.00 55.04 H new ATOM 0 HB2 HIS A 133 -2.638 27.407 6.207 1.00 42.10 H new ATOM 0 HB3 HIS A 133 -0.978 27.848 5.857 1.00 42.10 H new ATOM 0 HD2 HIS A 133 -3.985 26.413 3.664 1.00 62.32 H new ATOM 0 HE1 HIS A 133 -1.747 29.180 1.369 1.00 54.51 H new ATOM 0 HE2 HIS A 133 -3.777 27.655 1.389 1.00 60.31 H new ATOM 2260 N HIS A 134 0.543 25.098 7.221 1.00 72.34 N ATOM 2261 CA HIS A 134 1.309 25.017 8.484 1.00 0.41 C ATOM 2262 C HIS A 134 2.087 26.341 8.703 1.00 73.41 C ATOM 2263 O HIS A 134 1.777 27.081 9.659 1.00 3.51 O ATOM 2264 CB HIS A 134 2.242 23.760 8.534 1.00 24.25 C ATOM 2265 CG HIS A 134 3.286 23.654 7.448 1.00 4.25 C ATOM 2266 ND1 HIS A 134 4.564 24.148 7.585 1.00 14.40 N ATOM 2267 CD2 HIS A 134 3.241 23.101 6.216 1.00 2.44 C ATOM 2268 CE1 HIS A 134 5.248 23.909 6.489 1.00 21.35 C ATOM 2269 NE2 HIS A 134 4.469 23.277 5.640 1.00 41.15 N ATOM 2270 OXT HIS A 134 2.958 26.677 7.878 1.00 37.77 O ATOM 0 H HIS A 134 1.066 24.788 6.402 1.00 72.34 H new ATOM 0 HA HIS A 134 0.607 24.889 9.308 1.00 0.41 H new ATOM 0 HB2 HIS A 134 2.750 23.750 9.498 1.00 24.25 H new ATOM 0 HB3 HIS A 134 1.616 22.868 8.494 1.00 24.25 H new ATOM 0 HD2 HIS A 134 2.390 22.609 5.768 1.00 2.44 H new ATOM 0 HE1 HIS A 134 6.277 24.185 6.315 1.00 21.35 H new ATOM 0 HE2 HIS A 134 4.736 22.968 4.705 1.00 41.15 H new TER 2279 HIS A 134