USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 872 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 93 ASN : amide:sc= -2.07 X(o=-1.9,f=-1.5) USER MOD Set 1.2: A 100 ASN : amide:sc= 0.172 K(o=-1.9,f=-3.8) USER MOD Set 2.1: A 29 THR OG1 : rot -78:sc= 1.01 USER MOD Set 2.2: A 43 THR OG1 : rot 40:sc= 1.18 USER MOD Set 3.1: A 31 TYR OH : rot -154:sc= 0.259 USER MOD Set 3.2: A 79 TYR OH : rot 135:sc= 1.41 USER MOD Set 3.3: A 103 LYS NZ :NH3+ -142:sc= 1.84 (180deg=0.783) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.267 K(o=-0.27,f=-0.99) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0669 X(o=-0.067,f=-0.11) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.00407 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc=-0.00873 X(o=-0.0087,f=-0.35) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 31:sc= 1.29 USER MOD Single : A 39 TYR OH : rot -150:sc= 1.26 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 36:sc= 0 USER MOD Single : A 48 SER OG : rot 58:sc= 0.0884 USER MOD Single : A 49 ASN : amide:sc= -0.0687 K(o=-0.069,f=-3.2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 3:sc= 1.31 USER MOD Single : A 60 SER OG : rot 170:sc= 0.0567 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc=-0.00425 X(o=-0.0043,f=-0.42) USER MOD Single : A 75 CYS SG : rot 37:sc= 0.148 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.063) USER MOD Single : A 80 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-1.3) USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0182) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.302 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -135:sc= -0.427 (180deg=-0.764) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 8:sc= 0.896 USER MOD Single : A 107 LYS NZ :NH3+ -164:sc= 1.34 (180deg=0.711) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.185 X(o=-0.18,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.829 -8.162 -5.328 1.00 50.41 N ATOM 2 CA GLY A 1 24.490 -6.739 -5.419 1.00 31.01 C ATOM 3 C GLY A 1 23.442 -6.435 -4.377 1.00 44.23 C ATOM 4 O GLY A 1 23.774 -6.375 -3.192 1.00 32.10 O ATOM 0 H1 GLY A 1 25.552 -8.393 -6.039 1.00 50.41 H new ATOM 0 H2 GLY A 1 25.199 -8.371 -4.379 1.00 50.41 H new ATOM 0 H3 GLY A 1 23.978 -8.733 -5.501 1.00 50.41 H new ATOM 0 HA2 GLY A 1 25.377 -6.126 -5.256 1.00 31.01 H new ATOM 0 HA3 GLY A 1 24.116 -6.500 -6.415 1.00 31.01 H new ATOM 8 N ASP A 2 22.187 -6.288 -4.795 1.00 62.42 N ATOM 9 CA ASP A 2 21.047 -6.454 -3.905 1.00 31.21 C ATOM 10 C ASP A 2 20.993 -7.896 -3.398 1.00 64.35 C ATOM 11 O ASP A 2 21.566 -8.802 -4.009 1.00 23.42 O ATOM 12 CB ASP A 2 19.731 -6.086 -4.613 1.00 24.24 C ATOM 13 CG ASP A 2 19.372 -6.940 -5.839 1.00 3.10 C ATOM 14 OD1 ASP A 2 20.148 -6.914 -6.825 1.00 63.05 O ATOM 15 OD2 ASP A 2 18.274 -7.548 -5.873 1.00 53.53 O ATOM 0 H ASP A 2 21.935 -6.052 -5.755 1.00 62.42 H new ATOM 0 HA ASP A 2 21.170 -5.779 -3.058 1.00 31.21 H new ATOM 0 HB2 ASP A 2 18.918 -6.161 -3.891 1.00 24.24 H new ATOM 0 HB3 ASP A 2 19.787 -5.043 -4.924 1.00 24.24 H new ATOM 20 N GLU A 3 20.298 -8.117 -2.288 1.00 33.01 N ATOM 21 CA GLU A 3 19.991 -9.429 -1.734 1.00 4.50 C ATOM 22 C GLU A 3 18.504 -9.450 -1.372 1.00 62.22 C ATOM 23 O GLU A 3 18.075 -10.140 -0.447 1.00 13.30 O ATOM 24 CB GLU A 3 20.911 -9.721 -0.533 1.00 62.14 C ATOM 25 CG GLU A 3 21.166 -11.225 -0.368 1.00 74.33 C ATOM 26 CD GLU A 3 22.045 -11.740 -1.507 1.00 31.10 C ATOM 27 OE1 GLU A 3 23.268 -11.464 -1.489 1.00 63.23 O ATOM 28 OE2 GLU A 3 21.524 -12.373 -2.450 1.00 45.12 O ATOM 0 H GLU A 3 19.918 -7.355 -1.727 1.00 33.01 H new ATOM 0 HA GLU A 3 20.177 -10.223 -2.458 1.00 4.50 H new ATOM 0 HB2 GLU A 3 21.861 -9.203 -0.667 1.00 62.14 H new ATOM 0 HB3 GLU A 3 20.459 -9.326 0.377 1.00 62.14 H new ATOM 0 HG2 GLU A 3 21.650 -11.416 0.590 1.00 74.33 H new ATOM 0 HG3 GLU A 3 20.218 -11.763 -0.359 1.00 74.33 H new ATOM 35 N ASP A 4 17.723 -8.651 -2.104 1.00 30.00 N ATOM 36 CA ASP A 4 16.298 -8.425 -1.911 1.00 65.23 C ATOM 37 C ASP A 4 16.008 -7.726 -0.591 1.00 10.42 C ATOM 38 O ASP A 4 15.098 -8.065 0.165 1.00 63.12 O ATOM 39 CB ASP A 4 15.502 -9.704 -2.125 1.00 10.10 C ATOM 40 CG ASP A 4 14.073 -9.398 -2.566 1.00 12.30 C ATOM 41 OD1 ASP A 4 13.680 -8.209 -2.608 1.00 72.11 O ATOM 42 OD2 ASP A 4 13.432 -10.337 -3.087 1.00 64.05 O ATOM 0 H ASP A 4 18.094 -8.117 -2.890 1.00 30.00 H new ATOM 0 HA ASP A 4 15.955 -7.732 -2.679 1.00 65.23 H new ATOM 0 HB2 ASP A 4 15.994 -10.320 -2.878 1.00 10.10 H new ATOM 0 HB3 ASP A 4 15.484 -10.283 -1.202 1.00 10.10 H new ATOM 47 N ASP A 5 16.867 -6.759 -0.294 1.00 21.00 N ATOM 48 CA ASP A 5 16.975 -6.059 0.979 1.00 64.23 C ATOM 49 C ASP A 5 17.173 -4.555 0.798 1.00 30.04 C ATOM 50 O ASP A 5 17.261 -3.806 1.775 1.00 62.35 O ATOM 51 CB ASP A 5 18.126 -6.673 1.786 1.00 3.41 C ATOM 52 CG ASP A 5 19.501 -6.290 1.236 1.00 72.31 C ATOM 53 OD1 ASP A 5 19.701 -6.249 -0.004 1.00 31.40 O ATOM 54 OD2 ASP A 5 20.399 -6.059 2.081 1.00 45.34 O ATOM 0 H ASP A 5 17.547 -6.423 -0.976 1.00 21.00 H new ATOM 0 HA ASP A 5 16.037 -6.180 1.522 1.00 64.23 H new ATOM 0 HB2 ASP A 5 18.051 -6.348 2.824 1.00 3.41 H new ATOM 0 HB3 ASP A 5 18.028 -7.759 1.784 1.00 3.41 H new ATOM 59 N LYS A 6 17.199 -4.100 -0.452 1.00 71.11 N ATOM 60 CA LYS A 6 17.345 -2.706 -0.818 1.00 45.14 C ATOM 61 C LYS A 6 15.973 -2.160 -1.144 1.00 31.03 C ATOM 62 O LYS A 6 15.167 -2.832 -1.785 1.00 11.21 O ATOM 63 CB LYS A 6 18.264 -2.556 -2.036 1.00 13.44 C ATOM 64 CG LYS A 6 19.654 -3.158 -1.779 1.00 65.13 C ATOM 65 CD LYS A 6 20.743 -2.519 -2.647 1.00 54.43 C ATOM 66 CE LYS A 6 20.981 -1.091 -2.143 1.00 1.24 C ATOM 67 NZ LYS A 6 22.115 -0.432 -2.806 1.00 3.32 N ATOM 0 H LYS A 6 17.116 -4.717 -1.260 1.00 71.11 H new ATOM 0 HA LYS A 6 17.792 -2.156 0.010 1.00 45.14 H new ATOM 0 HB2 LYS A 6 17.809 -3.046 -2.897 1.00 13.44 H new ATOM 0 HB3 LYS A 6 18.366 -1.500 -2.287 1.00 13.44 H new ATOM 0 HG2 LYS A 6 19.912 -3.031 -0.728 1.00 65.13 H new ATOM 0 HG3 LYS A 6 19.623 -4.230 -1.973 1.00 65.13 H new ATOM 0 HD2 LYS A 6 21.663 -3.100 -2.591 1.00 54.43 H new ATOM 0 HD3 LYS A 6 20.437 -2.507 -3.693 1.00 54.43 H new ATOM 0 HE2 LYS A 6 20.079 -0.500 -2.303 1.00 1.24 H new ATOM 0 HE3 LYS A 6 21.159 -1.116 -1.068 1.00 1.24 H new ATOM 0 HZ1 LYS A 6 22.228 0.529 -2.426 1.00 3.32 H new ATOM 0 HZ2 LYS A 6 22.983 -0.978 -2.633 1.00 3.32 H new ATOM 0 HZ3 LYS A 6 21.937 -0.381 -3.829 1.00 3.32 H new ATOM 81 N VAL A 7 15.739 -0.915 -0.746 1.00 44.42 N ATOM 82 CA VAL A 7 14.592 -0.177 -1.238 1.00 31.10 C ATOM 83 C VAL A 7 14.799 0.051 -2.746 1.00 65.04 C ATOM 84 O VAL A 7 15.921 0.317 -3.205 1.00 13.34 O ATOM 85 CB VAL A 7 14.413 1.109 -0.396 1.00 52.53 C ATOM 86 CG1 VAL A 7 15.324 2.269 -0.819 1.00 65.12 C ATOM 87 CG2 VAL A 7 12.961 1.593 -0.367 1.00 41.13 C ATOM 0 H VAL A 7 16.326 -0.402 -0.088 1.00 44.42 H new ATOM 0 HA VAL A 7 13.654 -0.721 -1.126 1.00 31.10 H new ATOM 0 HB VAL A 7 14.713 0.807 0.607 1.00 52.53 H new ATOM 0 HG11 VAL A 7 15.136 3.131 -0.179 1.00 65.12 H new ATOM 0 HG12 VAL A 7 16.367 1.966 -0.723 1.00 65.12 H new ATOM 0 HG13 VAL A 7 15.117 2.534 -1.856 1.00 65.12 H new ATOM 0 HG21 VAL A 7 12.891 2.498 0.237 1.00 41.13 H new ATOM 0 HG22 VAL A 7 12.629 1.808 -1.383 1.00 41.13 H new ATOM 0 HG23 VAL A 7 12.328 0.818 0.065 1.00 41.13 H new ATOM 97 N GLU A 8 13.709 0.017 -3.505 1.00 65.13 N ATOM 98 CA GLU A 8 13.593 0.574 -4.840 1.00 14.54 C ATOM 99 C GLU A 8 12.278 1.343 -4.858 1.00 53.31 C ATOM 100 O GLU A 8 11.342 1.005 -4.127 1.00 13.32 O ATOM 101 CB GLU A 8 13.546 -0.564 -5.871 1.00 22.32 C ATOM 102 CG GLU A 8 14.911 -0.934 -6.456 1.00 72.35 C ATOM 103 CD GLU A 8 15.143 -0.316 -7.842 1.00 22.02 C ATOM 104 OE1 GLU A 8 14.772 -0.911 -8.876 1.00 63.05 O ATOM 105 OE2 GLU A 8 15.731 0.789 -7.910 1.00 41.14 O ATOM 0 H GLU A 8 12.844 -0.421 -3.188 1.00 65.13 H new ATOM 0 HA GLU A 8 14.438 1.217 -5.086 1.00 14.54 H new ATOM 0 HB2 GLU A 8 13.112 -1.447 -5.402 1.00 22.32 H new ATOM 0 HB3 GLU A 8 12.880 -0.276 -6.684 1.00 22.32 H new ATOM 0 HG2 GLU A 8 15.696 -0.601 -5.777 1.00 72.35 H new ATOM 0 HG3 GLU A 8 14.990 -2.019 -6.527 1.00 72.35 H new ATOM 112 N ILE A 9 12.177 2.340 -5.730 1.00 34.44 N ATOM 113 CA ILE A 9 10.910 2.926 -6.130 1.00 42.41 C ATOM 114 C ILE A 9 10.119 1.843 -6.895 1.00 62.02 C ATOM 115 O ILE A 9 9.080 1.409 -6.390 1.00 42.24 O ATOM 116 CB ILE A 9 11.157 4.260 -6.887 1.00 52.44 C ATOM 117 CG1 ILE A 9 11.504 5.429 -5.934 1.00 32.00 C ATOM 118 CG2 ILE A 9 9.934 4.718 -7.693 1.00 24.00 C ATOM 119 CD1 ILE A 9 12.897 5.357 -5.309 1.00 33.04 C ATOM 0 H ILE A 9 12.985 2.767 -6.183 1.00 34.44 H new ATOM 0 HA ILE A 9 10.289 3.221 -5.284 1.00 42.41 H new ATOM 0 HB ILE A 9 11.994 4.037 -7.548 1.00 52.44 H new ATOM 0 HG12 ILE A 9 11.417 6.366 -6.484 1.00 32.00 H new ATOM 0 HG13 ILE A 9 10.764 5.459 -5.134 1.00 32.00 H new ATOM 0 HG21 ILE A 9 10.163 5.655 -8.201 1.00 24.00 H new ATOM 0 HG22 ILE A 9 9.679 3.958 -8.431 1.00 24.00 H new ATOM 0 HG23 ILE A 9 9.090 4.868 -7.020 1.00 24.00 H new ATOM 0 HD11 ILE A 9 13.048 6.218 -4.658 1.00 33.04 H new ATOM 0 HD12 ILE A 9 12.987 4.440 -4.726 1.00 33.04 H new ATOM 0 HD13 ILE A 9 13.650 5.361 -6.097 1.00 33.04 H new ATOM 131 N PRO A 10 10.569 1.326 -8.058 1.00 22.24 N ATOM 132 CA PRO A 10 9.713 0.525 -8.930 1.00 34.02 C ATOM 133 C PRO A 10 9.465 -0.908 -8.440 1.00 1.32 C ATOM 134 O PRO A 10 8.753 -1.654 -9.114 1.00 51.44 O ATOM 135 CB PRO A 10 10.395 0.544 -10.297 1.00 34.21 C ATOM 136 CG PRO A 10 11.866 0.601 -9.913 1.00 22.44 C ATOM 137 CD PRO A 10 11.830 1.585 -8.744 1.00 74.02 C ATOM 0 HA PRO A 10 8.711 0.954 -8.955 1.00 34.02 H new ATOM 0 HB2 PRO A 10 10.160 -0.344 -10.883 1.00 34.21 H new ATOM 0 HB3 PRO A 10 10.094 1.407 -10.892 1.00 34.21 H new ATOM 0 HG2 PRO A 10 12.252 -0.375 -9.618 1.00 22.44 H new ATOM 0 HG3 PRO A 10 12.491 0.957 -10.732 1.00 22.44 H new ATOM 0 HD2 PRO A 10 12.678 1.434 -8.077 1.00 74.02 H new ATOM 0 HD3 PRO A 10 11.881 2.615 -9.096 1.00 74.02 H new ATOM 145 N GLN A 11 9.992 -1.326 -7.282 1.00 41.34 N ATOM 146 CA GLN A 11 9.527 -2.556 -6.639 1.00 21.42 C ATOM 147 C GLN A 11 8.047 -2.445 -6.285 1.00 31.33 C ATOM 148 O GLN A 11 7.323 -3.445 -6.327 1.00 44.35 O ATOM 149 CB GLN A 11 10.349 -2.886 -5.383 1.00 32.31 C ATOM 150 CG GLN A 11 11.236 -4.128 -5.521 1.00 23.43 C ATOM 151 CD GLN A 11 12.509 -3.917 -6.333 1.00 5.12 C ATOM 152 OE1 GLN A 11 12.497 -3.363 -7.430 1.00 14.10 O ATOM 153 NE2 GLN A 11 13.641 -4.334 -5.794 1.00 21.11 N ATOM 0 H GLN A 11 10.731 -0.836 -6.778 1.00 41.34 H new ATOM 0 HA GLN A 11 9.664 -3.370 -7.350 1.00 21.42 H new ATOM 0 HB2 GLN A 11 10.978 -2.030 -5.139 1.00 32.31 H new ATOM 0 HB3 GLN A 11 9.668 -3.031 -4.544 1.00 32.31 H new ATOM 0 HG2 GLN A 11 11.511 -4.474 -4.524 1.00 23.43 H new ATOM 0 HG3 GLN A 11 10.653 -4.924 -5.985 1.00 23.43 H new ATOM 0 HE21 GLN A 11 13.634 -4.792 -4.883 1.00 21.11 H new ATOM 0 HE22 GLN A 11 14.522 -4.198 -6.289 1.00 21.11 H new ATOM 162 N LEU A 12 7.586 -1.230 -5.971 1.00 2.21 N ATOM 163 CA LEU A 12 6.230 -0.985 -5.519 1.00 43.11 C ATOM 164 C LEU A 12 5.205 -1.474 -6.548 1.00 72.22 C ATOM 165 O LEU A 12 4.214 -2.083 -6.160 1.00 43.45 O ATOM 166 CB LEU A 12 6.065 0.521 -5.230 1.00 23.34 C ATOM 167 CG LEU A 12 4.693 0.919 -4.652 1.00 54.14 C ATOM 168 CD1 LEU A 12 4.595 0.625 -3.152 1.00 73.32 C ATOM 169 CD2 LEU A 12 4.394 2.404 -4.882 1.00 33.33 C ATOM 0 H LEU A 12 8.157 -0.386 -6.027 1.00 2.21 H new ATOM 0 HA LEU A 12 6.047 -1.547 -4.603 1.00 43.11 H new ATOM 0 HB2 LEU A 12 6.842 0.830 -4.531 1.00 23.34 H new ATOM 0 HB3 LEU A 12 6.229 1.075 -6.154 1.00 23.34 H new ATOM 0 HG LEU A 12 3.957 0.314 -5.181 1.00 54.14 H new ATOM 0 HD11 LEU A 12 3.612 0.921 -2.787 1.00 73.32 H new ATOM 0 HD12 LEU A 12 4.740 -0.442 -2.980 1.00 73.32 H new ATOM 0 HD13 LEU A 12 5.364 1.186 -2.620 1.00 73.32 H new ATOM 0 HD21 LEU A 12 3.419 2.648 -4.461 1.00 33.33 H new ATOM 0 HD22 LEU A 12 5.160 3.009 -4.397 1.00 33.33 H new ATOM 0 HD23 LEU A 12 4.390 2.613 -5.952 1.00 33.33 H new ATOM 181 N VAL A 13 5.485 -1.264 -7.838 1.00 71.05 N ATOM 182 CA VAL A 13 4.640 -1.403 -9.036 1.00 61.02 C ATOM 183 C VAL A 13 3.998 -2.798 -9.236 1.00 4.20 C ATOM 184 O VAL A 13 3.189 -3.004 -10.143 1.00 42.53 O ATOM 185 CB VAL A 13 5.527 -0.967 -10.231 1.00 72.35 C ATOM 186 CG1 VAL A 13 4.864 -1.098 -11.603 1.00 63.12 C ATOM 187 CG2 VAL A 13 5.970 0.500 -10.084 1.00 35.11 C ATOM 0 H VAL A 13 6.421 -0.956 -8.102 1.00 71.05 H new ATOM 0 HA VAL A 13 3.759 -0.770 -8.932 1.00 61.02 H new ATOM 0 HB VAL A 13 6.371 -1.656 -10.195 1.00 72.35 H new ATOM 0 HG11 VAL A 13 5.559 -0.770 -12.376 1.00 63.12 H new ATOM 0 HG12 VAL A 13 4.592 -2.139 -11.778 1.00 63.12 H new ATOM 0 HG13 VAL A 13 3.968 -0.478 -11.635 1.00 63.12 H new ATOM 0 HG21 VAL A 13 6.591 0.780 -10.935 1.00 35.11 H new ATOM 0 HG22 VAL A 13 5.091 1.144 -10.049 1.00 35.11 H new ATOM 0 HG23 VAL A 13 6.542 0.617 -9.164 1.00 35.11 H new ATOM 197 N GLY A 14 4.352 -3.784 -8.425 1.00 64.43 N ATOM 198 CA GLY A 14 3.637 -5.046 -8.332 1.00 23.42 C ATOM 199 C GLY A 14 2.389 -4.930 -7.463 1.00 74.21 C ATOM 200 O GLY A 14 1.799 -3.862 -7.269 1.00 5.31 O ATOM 0 H GLY A 14 5.158 -3.727 -7.803 1.00 64.43 H new ATOM 0 HA2 GLY A 14 3.354 -5.377 -9.331 1.00 23.42 H new ATOM 0 HA3 GLY A 14 4.298 -5.808 -7.919 1.00 23.42 H new ATOM 204 N LYS A 15 1.949 -6.088 -6.976 1.00 51.54 N ATOM 205 CA LYS A 15 0.711 -6.268 -6.228 1.00 23.43 C ATOM 206 C LYS A 15 1.058 -6.867 -4.875 1.00 71.25 C ATOM 207 O LYS A 15 2.047 -7.602 -4.756 1.00 2.24 O ATOM 208 CB LYS A 15 -0.290 -7.149 -7.002 1.00 43.52 C ATOM 209 CG LYS A 15 -0.237 -6.928 -8.521 1.00 4.44 C ATOM 210 CD LYS A 15 -1.554 -7.261 -9.219 1.00 11.43 C ATOM 211 CE LYS A 15 -1.449 -6.941 -10.711 1.00 62.25 C ATOM 212 NZ LYS A 15 -0.777 -8.014 -11.465 1.00 70.01 N ATOM 0 H LYS A 15 2.466 -6.959 -7.097 1.00 51.54 H new ATOM 0 HA LYS A 15 0.221 -5.305 -6.085 1.00 23.43 H new ATOM 0 HB2 LYS A 15 -0.085 -8.197 -6.786 1.00 43.52 H new ATOM 0 HB3 LYS A 15 -1.299 -6.942 -6.646 1.00 43.52 H new ATOM 0 HG2 LYS A 15 0.022 -5.889 -8.723 1.00 4.44 H new ATOM 0 HG3 LYS A 15 0.558 -7.542 -8.944 1.00 4.44 H new ATOM 0 HD2 LYS A 15 -1.792 -8.316 -9.080 1.00 11.43 H new ATOM 0 HD3 LYS A 15 -2.367 -6.689 -8.772 1.00 11.43 H new ATOM 0 HE2 LYS A 15 -2.448 -6.784 -11.118 1.00 62.25 H new ATOM 0 HE3 LYS A 15 -0.901 -6.008 -10.843 1.00 62.25 H new ATOM 0 HZ1 LYS A 15 -0.729 -7.754 -12.471 1.00 70.01 H new ATOM 0 HZ2 LYS A 15 0.186 -8.148 -11.095 1.00 70.01 H new ATOM 0 HZ3 LYS A 15 -1.313 -8.899 -11.362 1.00 70.01 H new ATOM 226 N TRP A 16 0.233 -6.560 -3.880 1.00 32.20 N ATOM 227 CA TRP A 16 0.591 -6.665 -2.479 1.00 45.34 C ATOM 228 C TRP A 16 -0.649 -6.974 -1.636 1.00 64.03 C ATOM 229 O TRP A 16 -1.521 -6.119 -1.473 1.00 63.43 O ATOM 230 CB TRP A 16 1.204 -5.321 -2.074 1.00 24.23 C ATOM 231 CG TRP A 16 2.505 -4.959 -2.691 1.00 5.34 C ATOM 232 CD1 TRP A 16 2.714 -4.245 -3.821 1.00 52.44 C ATOM 233 CD2 TRP A 16 3.811 -5.281 -2.156 1.00 34.13 C ATOM 234 NE1 TRP A 16 4.071 -4.075 -4.001 1.00 42.21 N ATOM 235 CE2 TRP A 16 4.797 -4.685 -2.994 1.00 10.54 C ATOM 236 CE3 TRP A 16 4.236 -6.036 -1.041 1.00 11.34 C ATOM 237 CZ2 TRP A 16 6.164 -4.814 -2.717 1.00 22.33 C ATOM 238 CZ3 TRP A 16 5.604 -6.176 -0.765 1.00 23.03 C ATOM 239 CH2 TRP A 16 6.559 -5.559 -1.592 1.00 12.10 C ATOM 0 H TRP A 16 -0.719 -6.226 -4.032 1.00 32.20 H new ATOM 0 HA TRP A 16 1.302 -7.475 -2.315 1.00 45.34 H new ATOM 0 HB2 TRP A 16 0.486 -4.536 -2.312 1.00 24.23 H new ATOM 0 HB3 TRP A 16 1.331 -5.319 -0.991 1.00 24.23 H new ATOM 0 HD1 TRP A 16 1.943 -3.869 -4.477 1.00 52.44 H new ATOM 0 HE1 TRP A 16 4.487 -3.563 -4.779 1.00 42.21 H new ATOM 0 HE3 TRP A 16 3.506 -6.507 -0.399 1.00 11.34 H new ATOM 0 HZ2 TRP A 16 6.901 -4.350 -3.356 1.00 22.33 H new ATOM 0 HZ3 TRP A 16 5.925 -6.759 0.085 1.00 23.03 H new ATOM 0 HH2 TRP A 16 7.609 -5.659 -1.360 1.00 12.10 H new ATOM 250 N ILE A 17 -0.771 -8.188 -1.104 1.00 74.35 N ATOM 251 CA ILE A 17 -1.866 -8.568 -0.225 1.00 50.45 C ATOM 252 C ILE A 17 -1.692 -7.846 1.112 1.00 51.55 C ATOM 253 O ILE A 17 -0.576 -7.701 1.613 1.00 74.11 O ATOM 254 CB ILE A 17 -1.934 -10.110 -0.089 1.00 12.41 C ATOM 255 CG1 ILE A 17 -3.343 -10.573 0.324 1.00 3.42 C ATOM 256 CG2 ILE A 17 -0.946 -10.754 0.884 1.00 62.02 C ATOM 257 CD1 ILE A 17 -4.225 -10.729 -0.899 1.00 14.41 C ATOM 0 H ILE A 17 -0.104 -8.941 -1.275 1.00 74.35 H new ATOM 0 HA ILE A 17 -2.826 -8.263 -0.642 1.00 50.45 H new ATOM 0 HB ILE A 17 -1.658 -10.445 -1.089 1.00 12.41 H new ATOM 0 HG12 ILE A 17 -3.280 -11.521 0.858 1.00 3.42 H new ATOM 0 HG13 ILE A 17 -3.785 -9.850 1.009 1.00 3.42 H new ATOM 0 HG21 ILE A 17 -1.093 -11.834 0.890 1.00 62.02 H new ATOM 0 HG22 ILE A 17 0.073 -10.528 0.570 1.00 62.02 H new ATOM 0 HG23 ILE A 17 -1.113 -10.360 1.886 1.00 62.02 H new ATOM 0 HD11 ILE A 17 -5.218 -11.057 -0.592 1.00 14.41 H new ATOM 0 HD12 ILE A 17 -4.302 -9.773 -1.416 1.00 14.41 H new ATOM 0 HD13 ILE A 17 -3.790 -11.470 -1.569 1.00 14.41 H new ATOM 269 N VAL A 18 -2.800 -7.433 1.720 1.00 41.30 N ATOM 270 CA VAL A 18 -2.852 -6.822 3.050 1.00 72.42 C ATOM 271 C VAL A 18 -3.376 -7.843 4.072 1.00 33.41 C ATOM 272 O VAL A 18 -3.889 -7.492 5.130 1.00 64.04 O ATOM 273 CB VAL A 18 -3.718 -5.542 3.011 1.00 44.32 C ATOM 274 CG1 VAL A 18 -3.303 -4.591 4.133 1.00 41.50 C ATOM 275 CG2 VAL A 18 -3.614 -4.740 1.700 1.00 32.43 C ATOM 0 H VAL A 18 -3.720 -7.516 1.288 1.00 41.30 H new ATOM 0 HA VAL A 18 -1.849 -6.528 3.361 1.00 72.42 H new ATOM 0 HB VAL A 18 -4.742 -5.901 3.115 1.00 44.32 H new ATOM 0 HG11 VAL A 18 -3.920 -3.693 4.096 1.00 41.50 H new ATOM 0 HG12 VAL A 18 -3.437 -5.084 5.096 1.00 41.50 H new ATOM 0 HG13 VAL A 18 -2.255 -4.317 4.009 1.00 41.50 H new ATOM 0 HG21 VAL A 18 -4.254 -3.859 1.760 1.00 32.43 H new ATOM 0 HG22 VAL A 18 -2.581 -4.428 1.545 1.00 32.43 H new ATOM 0 HG23 VAL A 18 -3.934 -5.364 0.865 1.00 32.43 H new ATOM 285 N LYS A 19 -3.270 -9.130 3.746 1.00 51.22 N ATOM 286 CA LYS A 19 -3.873 -10.225 4.516 1.00 2.23 C ATOM 287 C LYS A 19 -2.985 -10.605 5.708 1.00 51.21 C ATOM 288 O LYS A 19 -3.128 -11.684 6.274 1.00 52.24 O ATOM 289 CB LYS A 19 -4.217 -11.416 3.586 1.00 12.55 C ATOM 290 CG LYS A 19 -5.152 -12.459 4.221 1.00 64.32 C ATOM 291 CD LYS A 19 -5.606 -13.586 3.282 1.00 33.43 C ATOM 292 CE LYS A 19 -6.740 -14.414 3.920 1.00 53.51 C ATOM 293 NZ LYS A 19 -6.358 -15.075 5.190 1.00 65.21 N ATOM 0 H LYS A 19 -2.755 -9.450 2.926 1.00 51.22 H new ATOM 0 HA LYS A 19 -4.818 -9.892 4.944 1.00 2.23 H new ATOM 0 HB2 LYS A 19 -4.682 -11.032 2.678 1.00 12.55 H new ATOM 0 HB3 LYS A 19 -3.292 -11.908 3.286 1.00 12.55 H new ATOM 0 HG2 LYS A 19 -4.646 -12.903 5.078 1.00 64.32 H new ATOM 0 HG3 LYS A 19 -6.036 -11.947 4.603 1.00 64.32 H new ATOM 0 HD2 LYS A 19 -5.948 -13.162 2.338 1.00 33.43 H new ATOM 0 HD3 LYS A 19 -4.761 -14.236 3.053 1.00 33.43 H new ATOM 0 HE2 LYS A 19 -7.594 -13.762 4.103 1.00 53.51 H new ATOM 0 HE3 LYS A 19 -7.066 -15.174 3.210 1.00 53.51 H new ATOM 0 HZ1 LYS A 19 -7.168 -15.612 5.559 1.00 65.21 H new ATOM 0 HZ2 LYS A 19 -5.563 -15.723 5.019 1.00 65.21 H new ATOM 0 HZ3 LYS A 19 -6.074 -14.355 5.885 1.00 65.21 H new ATOM 307 N GLU A 20 -2.037 -9.764 6.102 1.00 13.43 N ATOM 308 CA GLU A 20 -1.145 -10.096 7.195 1.00 21.42 C ATOM 309 C GLU A 20 -0.759 -8.791 7.904 1.00 5.32 C ATOM 310 O GLU A 20 -0.127 -7.929 7.286 1.00 54.41 O ATOM 311 CB GLU A 20 0.043 -10.929 6.683 1.00 70.35 C ATOM 312 CG GLU A 20 -0.044 -12.431 7.025 1.00 64.34 C ATOM 313 CD GLU A 20 -0.140 -12.782 8.514 1.00 11.33 C ATOM 314 OE1 GLU A 20 -0.153 -11.870 9.371 1.00 65.11 O ATOM 315 OE2 GLU A 20 -0.328 -13.983 8.821 1.00 50.13 O ATOM 0 H GLU A 20 -1.870 -8.851 5.680 1.00 13.43 H new ATOM 0 HA GLU A 20 -1.629 -10.733 7.935 1.00 21.42 H new ATOM 0 HB2 GLU A 20 0.111 -10.818 5.601 1.00 70.35 H new ATOM 0 HB3 GLU A 20 0.964 -10.525 7.103 1.00 70.35 H new ATOM 0 HG2 GLU A 20 -0.914 -12.848 6.518 1.00 64.34 H new ATOM 0 HG3 GLU A 20 0.834 -12.928 6.612 1.00 64.34 H new ATOM 322 N PRO A 21 -1.211 -8.577 9.154 1.00 50.54 N ATOM 323 CA PRO A 21 -2.326 -9.289 9.763 1.00 54.44 C ATOM 324 C PRO A 21 -3.606 -9.026 8.980 1.00 2.53 C ATOM 325 O PRO A 21 -3.849 -7.914 8.504 1.00 42.10 O ATOM 326 CB PRO A 21 -2.462 -8.759 11.175 1.00 41.54 C ATOM 327 CG PRO A 21 -1.831 -7.369 11.104 1.00 54.32 C ATOM 328 CD PRO A 21 -0.777 -7.489 10.008 1.00 32.30 C ATOM 0 HA PRO A 21 -2.151 -10.365 9.763 1.00 54.44 H new ATOM 0 HB2 PRO A 21 -3.506 -8.709 11.485 1.00 41.54 H new ATOM 0 HB3 PRO A 21 -1.946 -9.396 11.893 1.00 41.54 H new ATOM 0 HG2 PRO A 21 -2.572 -6.608 10.861 1.00 54.32 H new ATOM 0 HG3 PRO A 21 -1.384 -7.086 12.057 1.00 54.32 H new ATOM 0 HD2 PRO A 21 -0.693 -6.560 9.444 1.00 32.30 H new ATOM 0 HD3 PRO A 21 0.206 -7.694 10.432 1.00 32.30 H new ATOM 336 N VAL A 22 -4.443 -10.048 8.890 1.00 1.25 N ATOM 337 CA VAL A 22 -5.749 -9.951 8.247 1.00 10.11 C ATOM 338 C VAL A 22 -6.731 -9.317 9.238 1.00 34.01 C ATOM 339 O VAL A 22 -6.458 -9.216 10.443 1.00 30.01 O ATOM 340 CB VAL A 22 -6.154 -11.318 7.640 1.00 22.15 C ATOM 341 CG1 VAL A 22 -5.941 -12.524 8.563 1.00 5.21 C ATOM 342 CG2 VAL A 22 -7.556 -11.370 7.020 1.00 63.11 C ATOM 0 H VAL A 22 -4.236 -10.975 9.263 1.00 1.25 H new ATOM 0 HA VAL A 22 -5.740 -9.287 7.383 1.00 10.11 H new ATOM 0 HB VAL A 22 -5.440 -11.404 6.821 1.00 22.15 H new ATOM 0 HG11 VAL A 22 -6.253 -13.434 8.051 1.00 5.21 H new ATOM 0 HG12 VAL A 22 -4.886 -12.599 8.826 1.00 5.21 H new ATOM 0 HG13 VAL A 22 -6.533 -12.397 9.470 1.00 5.21 H new ATOM 0 HG21 VAL A 22 -7.742 -12.368 6.624 1.00 63.11 H new ATOM 0 HG22 VAL A 22 -8.300 -11.138 7.782 1.00 63.11 H new ATOM 0 HG23 VAL A 22 -7.624 -10.641 6.213 1.00 63.11 H new ATOM 352 N LEU A 23 -7.846 -8.811 8.718 1.00 33.33 N ATOM 353 CA LEU A 23 -8.942 -8.239 9.482 1.00 21.13 C ATOM 354 C LEU A 23 -9.873 -9.362 9.964 1.00 43.03 C ATOM 355 O LEU A 23 -9.595 -10.553 9.795 1.00 32.33 O ATOM 356 CB LEU A 23 -9.682 -7.221 8.595 1.00 4.21 C ATOM 357 CG LEU A 23 -8.829 -6.027 8.117 1.00 44.24 C ATOM 358 CD1 LEU A 23 -9.679 -5.081 7.263 1.00 64.52 C ATOM 359 CD2 LEU A 23 -8.228 -5.242 9.284 1.00 41.02 C ATOM 0 H LEU A 23 -8.014 -8.789 7.712 1.00 33.33 H new ATOM 0 HA LEU A 23 -8.569 -7.720 10.365 1.00 21.13 H new ATOM 0 HB2 LEU A 23 -10.073 -7.741 7.721 1.00 4.21 H new ATOM 0 HB3 LEU A 23 -10.539 -6.837 9.147 1.00 4.21 H new ATOM 0 HG LEU A 23 -8.010 -6.436 7.526 1.00 44.24 H new ATOM 0 HD11 LEU A 23 -9.067 -4.242 6.931 1.00 64.52 H new ATOM 0 HD12 LEU A 23 -10.060 -5.618 6.395 1.00 64.52 H new ATOM 0 HD13 LEU A 23 -10.515 -4.709 7.855 1.00 64.52 H new ATOM 0 HD21 LEU A 23 -7.636 -4.412 8.898 1.00 41.02 H new ATOM 0 HD22 LEU A 23 -9.029 -4.855 9.913 1.00 41.02 H new ATOM 0 HD23 LEU A 23 -7.589 -5.899 9.874 1.00 41.02 H new ATOM 371 N GLN A 24 -10.973 -8.988 10.615 1.00 64.33 N ATOM 372 CA GLN A 24 -12.038 -9.919 10.969 1.00 34.42 C ATOM 373 C GLN A 24 -12.884 -10.279 9.739 1.00 12.15 C ATOM 374 O GLN A 24 -12.690 -9.746 8.645 1.00 11.04 O ATOM 375 CB GLN A 24 -12.880 -9.313 12.112 1.00 51.10 C ATOM 376 CG GLN A 24 -12.296 -9.693 13.481 1.00 53.00 C ATOM 377 CD GLN A 24 -12.673 -11.123 13.859 1.00 22.55 C ATOM 378 OE1 GLN A 24 -11.901 -12.058 13.677 1.00 11.14 O ATOM 379 NE2 GLN A 24 -13.887 -11.336 14.333 1.00 3.11 N ATOM 0 H GLN A 24 -11.149 -8.028 10.912 1.00 64.33 H new ATOM 0 HA GLN A 24 -11.608 -10.855 11.325 1.00 34.42 H new ATOM 0 HB2 GLN A 24 -12.909 -8.228 12.013 1.00 51.10 H new ATOM 0 HB3 GLN A 24 -13.908 -9.667 12.039 1.00 51.10 H new ATOM 0 HG2 GLN A 24 -11.211 -9.593 13.458 1.00 53.00 H new ATOM 0 HG3 GLN A 24 -12.663 -9.003 14.241 1.00 53.00 H new ATOM 0 HE21 GLN A 24 -14.522 -10.551 14.481 1.00 3.11 H new ATOM 0 HE22 GLN A 24 -14.190 -12.285 14.551 1.00 3.11 H new ATOM 388 N ASP A 25 -13.829 -11.193 9.959 1.00 42.43 N ATOM 389 CA ASP A 25 -14.788 -11.832 9.070 1.00 62.13 C ATOM 390 C ASP A 25 -14.035 -12.458 7.911 1.00 1.42 C ATOM 391 O ASP A 25 -13.568 -13.591 8.001 1.00 32.21 O ATOM 392 CB ASP A 25 -15.905 -10.870 8.613 1.00 61.30 C ATOM 393 CG ASP A 25 -16.840 -10.397 9.721 1.00 41.42 C ATOM 394 OD1 ASP A 25 -16.961 -11.069 10.772 1.00 71.33 O ATOM 395 OD2 ASP A 25 -17.484 -9.333 9.550 1.00 23.35 O ATOM 0 H ASP A 25 -13.952 -11.550 10.906 1.00 42.43 H new ATOM 0 HA ASP A 25 -15.310 -12.619 9.614 1.00 62.13 H new ATOM 0 HB2 ASP A 25 -15.445 -9.998 8.149 1.00 61.30 H new ATOM 0 HB3 ASP A 25 -16.498 -11.365 7.844 1.00 61.30 H new ATOM 400 N ASP A 26 -13.785 -11.662 6.883 1.00 61.32 N ATOM 401 CA ASP A 26 -13.003 -11.989 5.695 1.00 73.53 C ATOM 402 C ASP A 26 -12.690 -10.730 4.886 1.00 22.55 C ATOM 403 O ASP A 26 -12.657 -10.738 3.659 1.00 71.11 O ATOM 404 CB ASP A 26 -13.651 -13.112 4.858 1.00 45.43 C ATOM 405 CG ASP A 26 -12.553 -14.099 4.475 1.00 22.15 C ATOM 406 OD1 ASP A 26 -11.489 -13.670 3.968 1.00 31.23 O ATOM 407 OD2 ASP A 26 -12.681 -15.292 4.819 1.00 45.14 O ATOM 0 H ASP A 26 -14.145 -10.708 6.852 1.00 61.32 H new ATOM 0 HA ASP A 26 -12.047 -12.396 6.023 1.00 73.53 H new ATOM 0 HB2 ASP A 26 -14.432 -13.613 5.430 1.00 45.43 H new ATOM 0 HB3 ASP A 26 -14.123 -12.700 3.966 1.00 45.43 H new ATOM 412 N PHE A 27 -12.504 -9.600 5.574 1.00 54.22 N ATOM 413 CA PHE A 27 -12.101 -8.372 4.912 1.00 61.54 C ATOM 414 C PHE A 27 -10.644 -8.511 4.484 1.00 4.45 C ATOM 415 O PHE A 27 -9.727 -8.525 5.311 1.00 3.12 O ATOM 416 CB PHE A 27 -12.368 -7.172 5.816 1.00 41.32 C ATOM 417 CG PHE A 27 -13.846 -6.939 5.967 1.00 62.11 C ATOM 418 CD1 PHE A 27 -14.554 -6.410 4.877 1.00 30.43 C ATOM 419 CD2 PHE A 27 -14.528 -7.351 7.127 1.00 64.42 C ATOM 420 CE1 PHE A 27 -15.947 -6.314 4.935 1.00 74.10 C ATOM 421 CE2 PHE A 27 -15.928 -7.279 7.167 1.00 72.21 C ATOM 422 CZ PHE A 27 -16.632 -6.779 6.060 1.00 65.53 C ATOM 0 H PHE A 27 -12.627 -9.517 6.583 1.00 54.22 H new ATOM 0 HA PHE A 27 -12.691 -8.196 4.012 1.00 61.54 H new ATOM 0 HB2 PHE A 27 -11.920 -7.341 6.795 1.00 41.32 H new ATOM 0 HB3 PHE A 27 -11.895 -6.283 5.398 1.00 41.32 H new ATOM 0 HD1 PHE A 27 -14.024 -6.078 3.996 1.00 30.43 H new ATOM 0 HD2 PHE A 27 -13.977 -7.720 7.980 1.00 64.42 H new ATOM 0 HE1 PHE A 27 -16.494 -5.881 4.110 1.00 74.10 H new ATOM 0 HE2 PHE A 27 -16.463 -7.607 8.046 1.00 72.21 H new ATOM 0 HZ PHE A 27 -17.712 -6.754 6.078 1.00 65.53 H new ATOM 432 N VAL A 28 -10.440 -8.613 3.177 1.00 63.31 N ATOM 433 CA VAL A 28 -9.145 -8.826 2.542 1.00 61.10 C ATOM 434 C VAL A 28 -8.924 -7.749 1.480 1.00 30.05 C ATOM 435 O VAL A 28 -9.886 -7.154 0.981 1.00 23.55 O ATOM 436 CB VAL A 28 -9.042 -10.266 1.991 1.00 13.35 C ATOM 437 CG1 VAL A 28 -8.982 -11.292 3.133 1.00 33.41 C ATOM 438 CG2 VAL A 28 -10.178 -10.640 1.028 1.00 43.14 C ATOM 0 H VAL A 28 -11.203 -8.547 2.503 1.00 63.31 H new ATOM 0 HA VAL A 28 -8.342 -8.730 3.273 1.00 61.10 H new ATOM 0 HB VAL A 28 -8.114 -10.291 1.419 1.00 13.35 H new ATOM 0 HG11 VAL A 28 -8.910 -12.297 2.716 1.00 33.41 H new ATOM 0 HG12 VAL A 28 -8.109 -11.094 3.755 1.00 33.41 H new ATOM 0 HG13 VAL A 28 -9.884 -11.215 3.739 1.00 33.41 H new ATOM 0 HG21 VAL A 28 -10.039 -11.664 0.682 1.00 43.14 H new ATOM 0 HG22 VAL A 28 -11.134 -10.558 1.544 1.00 43.14 H new ATOM 0 HG23 VAL A 28 -10.168 -9.964 0.173 1.00 43.14 H new ATOM 448 N THR A 29 -7.665 -7.466 1.151 1.00 52.12 N ATOM 449 CA THR A 29 -7.295 -6.395 0.238 1.00 21.42 C ATOM 450 C THR A 29 -6.016 -6.788 -0.500 1.00 22.22 C ATOM 451 O THR A 29 -5.170 -7.507 0.043 1.00 53.42 O ATOM 452 CB THR A 29 -7.097 -5.103 1.056 1.00 11.44 C ATOM 453 OG1 THR A 29 -8.274 -4.741 1.740 1.00 3.52 O ATOM 454 CG2 THR A 29 -6.692 -3.898 0.205 1.00 70.23 C ATOM 0 H THR A 29 -6.866 -7.983 1.518 1.00 52.12 H new ATOM 0 HA THR A 29 -8.076 -6.224 -0.503 1.00 21.42 H new ATOM 0 HB THR A 29 -6.291 -5.341 1.749 1.00 11.44 H new ATOM 0 HG1 THR A 29 -8.901 -4.323 1.114 1.00 3.52 H new ATOM 0 HG21 THR A 29 -6.570 -3.025 0.846 1.00 70.23 H new ATOM 0 HG22 THR A 29 -5.751 -4.110 -0.302 1.00 70.23 H new ATOM 0 HG23 THR A 29 -7.466 -3.699 -0.536 1.00 70.23 H new ATOM 462 N CYS A 30 -5.838 -6.241 -1.702 1.00 34.12 N ATOM 463 CA CYS A 30 -4.648 -6.327 -2.528 1.00 62.21 C ATOM 464 C CYS A 30 -4.300 -4.902 -2.974 1.00 31.24 C ATOM 465 O CYS A 30 -4.830 -4.411 -3.973 1.00 5.23 O ATOM 466 CB CYS A 30 -4.866 -7.306 -3.698 1.00 61.01 C ATOM 467 SG CYS A 30 -6.587 -7.300 -4.290 1.00 5.52 S ATOM 0 H CYS A 30 -6.573 -5.692 -2.148 1.00 34.12 H new ATOM 0 HA CYS A 30 -3.802 -6.734 -1.974 1.00 62.21 H new ATOM 0 HB2 CYS A 30 -4.200 -7.041 -4.520 1.00 61.01 H new ATOM 0 HB3 CYS A 30 -4.596 -8.313 -3.381 1.00 61.01 H new ATOM 0 HG CYS A 30 -6.710 -8.140 -5.275 1.00 5.52 H new ATOM 473 N TYR A 31 -3.441 -4.218 -2.210 1.00 21.31 N ATOM 474 CA TYR A 31 -2.832 -2.968 -2.648 1.00 54.24 C ATOM 475 C TYR A 31 -2.145 -3.256 -3.979 1.00 21.12 C ATOM 476 O TYR A 31 -1.335 -4.179 -4.089 1.00 72.02 O ATOM 477 CB TYR A 31 -1.797 -2.445 -1.635 1.00 4.23 C ATOM 478 CG TYR A 31 -2.281 -1.662 -0.422 1.00 21.03 C ATOM 479 CD1 TYR A 31 -3.630 -1.646 -0.031 1.00 65.40 C ATOM 480 CD2 TYR A 31 -1.352 -0.916 0.330 1.00 62.13 C ATOM 481 CE1 TYR A 31 -4.031 -0.946 1.118 1.00 31.45 C ATOM 482 CE2 TYR A 31 -1.747 -0.196 1.470 1.00 52.43 C ATOM 483 CZ TYR A 31 -3.085 -0.243 1.892 1.00 72.02 C ATOM 484 OH TYR A 31 -3.427 0.386 3.044 1.00 74.32 O ATOM 0 H TYR A 31 -3.153 -4.517 -1.278 1.00 21.31 H new ATOM 0 HA TYR A 31 -3.599 -2.199 -2.741 1.00 54.24 H new ATOM 0 HB2 TYR A 31 -1.232 -3.303 -1.269 1.00 4.23 H new ATOM 0 HB3 TYR A 31 -1.097 -1.810 -2.178 1.00 4.23 H new ATOM 0 HD1 TYR A 31 -4.365 -2.176 -0.619 1.00 65.40 H new ATOM 0 HD2 TYR A 31 -0.316 -0.897 0.024 1.00 62.13 H new ATOM 0 HE1 TYR A 31 -5.071 -0.946 1.411 1.00 31.45 H new ATOM 0 HE2 TYR A 31 -1.025 0.391 2.019 1.00 52.43 H new ATOM 0 HH TYR A 31 -2.808 1.128 3.208 1.00 74.32 H new ATOM 494 N THR A 32 -2.482 -2.484 -5.001 1.00 22.41 N ATOM 495 CA THR A 32 -1.839 -2.569 -6.300 1.00 65.04 C ATOM 496 C THR A 32 -1.423 -1.157 -6.683 1.00 12.12 C ATOM 497 O THR A 32 -2.161 -0.214 -6.387 1.00 41.20 O ATOM 498 CB THR A 32 -2.818 -3.192 -7.305 1.00 10.15 C ATOM 499 OG1 THR A 32 -3.429 -4.353 -6.761 1.00 41.30 O ATOM 500 CG2 THR A 32 -2.087 -3.553 -8.598 1.00 4.43 C ATOM 0 H THR A 32 -3.215 -1.776 -4.950 1.00 22.41 H new ATOM 0 HA THR A 32 -0.954 -3.206 -6.287 1.00 65.04 H new ATOM 0 HB THR A 32 -3.594 -2.459 -7.522 1.00 10.15 H new ATOM 0 HG1 THR A 32 -4.050 -4.733 -7.417 1.00 41.30 H new ATOM 0 HG21 THR A 32 -2.791 -3.994 -9.303 1.00 4.43 H new ATOM 0 HG22 THR A 32 -1.653 -2.653 -9.034 1.00 4.43 H new ATOM 0 HG23 THR A 32 -1.295 -4.269 -8.380 1.00 4.43 H new ATOM 508 N PHE A 33 -0.270 -0.989 -7.330 1.00 74.24 N ATOM 509 CA PHE A 33 0.215 0.310 -7.784 1.00 32.00 C ATOM 510 C PHE A 33 0.591 0.147 -9.247 1.00 24.40 C ATOM 511 O PHE A 33 1.212 -0.848 -9.618 1.00 42.21 O ATOM 512 CB PHE A 33 1.390 0.793 -6.921 1.00 61.42 C ATOM 513 CG PHE A 33 1.198 0.540 -5.444 1.00 24.04 C ATOM 514 CD1 PHE A 33 1.544 -0.710 -4.890 1.00 44.25 C ATOM 515 CD2 PHE A 33 0.663 1.551 -4.629 1.00 21.23 C ATOM 516 CE1 PHE A 33 1.414 -0.930 -3.513 1.00 24.24 C ATOM 517 CE2 PHE A 33 0.528 1.323 -3.252 1.00 50.32 C ATOM 518 CZ PHE A 33 0.926 0.096 -2.695 1.00 51.54 C ATOM 0 H PHE A 33 0.359 -1.760 -7.555 1.00 74.24 H new ATOM 0 HA PHE A 33 -0.551 1.079 -7.683 1.00 32.00 H new ATOM 0 HB2 PHE A 33 2.302 0.295 -7.251 1.00 61.42 H new ATOM 0 HB3 PHE A 33 1.534 1.861 -7.083 1.00 61.42 H new ATOM 0 HD1 PHE A 33 1.910 -1.500 -5.529 1.00 44.25 H new ATOM 0 HD2 PHE A 33 0.359 2.494 -5.058 1.00 21.23 H new ATOM 0 HE1 PHE A 33 1.688 -1.883 -3.086 1.00 24.24 H new ATOM 0 HE2 PHE A 33 0.116 2.094 -2.617 1.00 50.32 H new ATOM 0 HZ PHE A 33 0.855 -0.057 -1.628 1.00 51.54 H new ATOM 528 N ASN A 34 0.159 1.079 -10.092 1.00 60.14 N ATOM 529 CA ASN A 34 0.524 1.060 -11.504 1.00 21.14 C ATOM 530 C ASN A 34 1.956 1.555 -11.657 1.00 72.12 C ATOM 531 O ASN A 34 2.526 2.095 -10.706 1.00 4.40 O ATOM 532 CB ASN A 34 -0.458 1.903 -12.328 1.00 42.42 C ATOM 533 CG ASN A 34 -1.693 1.086 -12.677 1.00 14.32 C ATOM 534 OD1 ASN A 34 -1.916 0.759 -13.841 1.00 44.22 O ATOM 535 ND2 ASN A 34 -2.487 0.715 -11.688 1.00 41.43 N ATOM 0 H ASN A 34 -0.444 1.856 -9.823 1.00 60.14 H new ATOM 0 HA ASN A 34 0.466 0.040 -11.884 1.00 21.14 H new ATOM 0 HB2 ASN A 34 -0.748 2.790 -11.765 1.00 42.42 H new ATOM 0 HB3 ASN A 34 0.027 2.250 -13.241 1.00 42.42 H new ATOM 0 HD21 ASN A 34 -3.309 0.143 -11.881 1.00 41.43 H new ATOM 0 HD22 ASN A 34 -2.278 1.001 -10.731 1.00 41.43 H new ATOM 542 N ALA A 35 2.506 1.442 -12.871 1.00 75.13 N ATOM 543 CA ALA A 35 3.822 1.976 -13.206 1.00 31.42 C ATOM 544 C ALA A 35 3.941 3.449 -12.815 1.00 42.31 C ATOM 545 O ALA A 35 4.975 3.868 -12.295 1.00 63.11 O ATOM 546 CB ALA A 35 4.100 1.759 -14.694 1.00 74.24 C ATOM 0 H ALA A 35 2.044 0.974 -13.651 1.00 75.13 H new ATOM 0 HA ALA A 35 4.578 1.440 -12.632 1.00 31.42 H new ATOM 0 HB1 ALA A 35 5.083 2.158 -14.942 1.00 74.24 H new ATOM 0 HB2 ALA A 35 4.075 0.692 -14.917 1.00 74.24 H new ATOM 0 HB3 ALA A 35 3.340 2.271 -15.285 1.00 74.24 H new ATOM 552 N ASP A 36 2.855 4.194 -13.010 1.00 53.41 N ATOM 553 CA ASP A 36 2.631 5.548 -12.511 1.00 23.00 C ATOM 554 C ASP A 36 1.142 5.886 -12.375 1.00 63.42 C ATOM 555 O ASP A 36 0.774 6.701 -11.529 1.00 73.40 O ATOM 556 CB ASP A 36 3.326 6.578 -13.421 1.00 32.41 C ATOM 557 CG ASP A 36 3.160 6.364 -14.931 1.00 63.33 C ATOM 558 OD1 ASP A 36 2.058 5.983 -15.406 1.00 20.23 O ATOM 559 OD2 ASP A 36 4.192 6.497 -15.632 1.00 55.15 O ATOM 0 H ASP A 36 2.063 3.849 -13.552 1.00 53.41 H new ATOM 0 HA ASP A 36 3.065 5.593 -11.512 1.00 23.00 H new ATOM 0 HB2 ASP A 36 2.946 7.569 -13.171 1.00 32.41 H new ATOM 0 HB3 ASP A 36 4.391 6.577 -13.189 1.00 32.41 H new ATOM 564 N LYS A 37 0.261 5.268 -13.172 1.00 22.04 N ATOM 565 CA LYS A 37 -0.993 5.934 -13.523 1.00 73.12 C ATOM 566 C LYS A 37 -2.010 6.081 -12.394 1.00 12.23 C ATOM 567 O LYS A 37 -2.860 6.957 -12.493 1.00 2.51 O ATOM 568 CB LYS A 37 -1.622 5.351 -14.764 1.00 3.45 C ATOM 569 CG LYS A 37 -2.180 3.944 -14.639 1.00 41.22 C ATOM 570 CD LYS A 37 -3.170 3.817 -15.778 1.00 41.44 C ATOM 571 CE LYS A 37 -3.529 2.342 -15.986 1.00 34.12 C ATOM 572 NZ LYS A 37 -4.509 2.142 -17.069 1.00 11.33 N ATOM 0 H LYS A 37 0.388 4.339 -13.573 1.00 22.04 H new ATOM 0 HA LYS A 37 -0.683 6.957 -13.738 1.00 73.12 H new ATOM 0 HB2 LYS A 37 -2.429 6.012 -15.081 1.00 3.45 H new ATOM 0 HB3 LYS A 37 -0.876 5.354 -15.559 1.00 3.45 H new ATOM 0 HG2 LYS A 37 -1.390 3.197 -14.717 1.00 41.22 H new ATOM 0 HG3 LYS A 37 -2.666 3.795 -13.675 1.00 41.22 H new ATOM 0 HD2 LYS A 37 -4.069 4.393 -15.558 1.00 41.44 H new ATOM 0 HD3 LYS A 37 -2.743 4.230 -16.692 1.00 41.44 H new ATOM 0 HE2 LYS A 37 -2.623 1.780 -16.213 1.00 34.12 H new ATOM 0 HE3 LYS A 37 -3.931 1.936 -15.058 1.00 34.12 H new ATOM 0 HZ1 LYS A 37 -4.716 1.128 -17.167 1.00 11.33 H new ATOM 0 HZ2 LYS A 37 -5.386 2.654 -16.843 1.00 11.33 H new ATOM 0 HZ3 LYS A 37 -4.118 2.503 -17.962 1.00 11.33 H new ATOM 586 N THR A 38 -1.993 5.189 -11.401 1.00 32.43 N ATOM 587 CA THR A 38 -3.001 5.073 -10.350 1.00 52.12 C ATOM 588 C THR A 38 -2.540 4.003 -9.342 1.00 44.11 C ATOM 589 O THR A 38 -1.513 3.338 -9.539 1.00 1.24 O ATOM 590 CB THR A 38 -4.390 4.764 -10.980 1.00 20.02 C ATOM 591 OG1 THR A 38 -5.458 4.962 -10.088 1.00 2.54 O ATOM 592 CG2 THR A 38 -4.531 3.321 -11.457 1.00 23.14 C ATOM 0 H THR A 38 -1.246 4.501 -11.305 1.00 32.43 H new ATOM 0 HA THR A 38 -3.113 6.012 -9.808 1.00 52.12 H new ATOM 0 HB THR A 38 -4.436 5.461 -11.817 1.00 20.02 H new ATOM 0 HG1 THR A 38 -5.232 5.681 -9.461 1.00 2.54 H new ATOM 0 HG21 THR A 38 -5.523 3.175 -11.885 1.00 23.14 H new ATOM 0 HG22 THR A 38 -3.775 3.112 -12.214 1.00 23.14 H new ATOM 0 HG23 THR A 38 -4.396 2.644 -10.613 1.00 23.14 H new ATOM 600 N TYR A 39 -3.325 3.769 -8.295 1.00 22.05 N ATOM 601 CA TYR A 39 -3.269 2.596 -7.436 1.00 20.44 C ATOM 602 C TYR A 39 -4.684 2.019 -7.306 1.00 0.31 C ATOM 603 O TYR A 39 -5.647 2.677 -7.698 1.00 23.11 O ATOM 604 CB TYR A 39 -2.643 2.977 -6.084 1.00 73.01 C ATOM 605 CG TYR A 39 -3.515 3.815 -5.177 1.00 43.11 C ATOM 606 CD1 TYR A 39 -4.462 3.210 -4.327 1.00 14.41 C ATOM 607 CD2 TYR A 39 -3.344 5.207 -5.160 1.00 12.51 C ATOM 608 CE1 TYR A 39 -5.283 4.005 -3.509 1.00 4.23 C ATOM 609 CE2 TYR A 39 -4.126 5.999 -4.307 1.00 60.32 C ATOM 610 CZ TYR A 39 -5.128 5.408 -3.507 1.00 73.44 C ATOM 611 OH TYR A 39 -5.941 6.180 -2.741 1.00 35.42 O ATOM 0 H TYR A 39 -4.052 4.425 -8.011 1.00 22.05 H new ATOM 0 HA TYR A 39 -2.634 1.820 -7.864 1.00 20.44 H new ATOM 0 HB2 TYR A 39 -2.374 2.062 -5.557 1.00 73.01 H new ATOM 0 HB3 TYR A 39 -1.717 3.520 -6.272 1.00 73.01 H new ATOM 0 HD1 TYR A 39 -4.557 2.134 -4.304 1.00 14.41 H new ATOM 0 HD2 TYR A 39 -2.610 5.669 -5.804 1.00 12.51 H new ATOM 0 HE1 TYR A 39 -6.032 3.543 -2.883 1.00 4.23 H new ATOM 0 HE2 TYR A 39 -3.961 7.065 -4.262 1.00 60.32 H new ATOM 0 HH TYR A 39 -6.058 7.055 -3.167 1.00 35.42 H new ATOM 621 N GLU A 40 -4.816 0.816 -6.742 1.00 51.54 N ATOM 622 CA GLU A 40 -6.092 0.218 -6.362 1.00 12.24 C ATOM 623 C GLU A 40 -6.019 -0.202 -4.895 1.00 3.54 C ATOM 624 O GLU A 40 -4.976 -0.691 -4.450 1.00 71.44 O ATOM 625 CB GLU A 40 -6.407 -1.045 -7.182 1.00 52.51 C ATOM 626 CG GLU A 40 -6.763 -0.813 -8.651 1.00 71.24 C ATOM 627 CD GLU A 40 -6.979 -2.162 -9.354 1.00 74.22 C ATOM 628 OE1 GLU A 40 -5.972 -2.827 -9.704 1.00 15.15 O ATOM 629 OE2 GLU A 40 -8.141 -2.550 -9.603 1.00 42.44 O ATOM 0 H GLU A 40 -4.016 0.218 -6.533 1.00 51.54 H new ATOM 0 HA GLU A 40 -6.869 0.961 -6.543 1.00 12.24 H new ATOM 0 HB2 GLU A 40 -5.544 -1.709 -7.137 1.00 52.51 H new ATOM 0 HB3 GLU A 40 -7.236 -1.568 -6.705 1.00 52.51 H new ATOM 0 HG2 GLU A 40 -7.665 -0.206 -8.724 1.00 71.24 H new ATOM 0 HG3 GLU A 40 -5.965 -0.259 -9.145 1.00 71.24 H new ATOM 636 N VAL A 41 -7.142 -0.097 -4.184 1.00 1.43 N ATOM 637 CA VAL A 41 -7.397 -0.703 -2.880 1.00 43.50 C ATOM 638 C VAL A 41 -8.872 -1.126 -2.861 1.00 61.30 C ATOM 639 O VAL A 41 -9.695 -0.470 -3.499 1.00 23.35 O ATOM 640 CB VAL A 41 -7.028 0.301 -1.757 1.00 51.22 C ATOM 641 CG1 VAL A 41 -7.833 1.600 -1.744 1.00 43.54 C ATOM 642 CG2 VAL A 41 -7.145 -0.340 -0.376 1.00 5.55 C ATOM 0 H VAL A 41 -7.939 0.442 -4.522 1.00 1.43 H new ATOM 0 HA VAL A 41 -6.782 -1.585 -2.705 1.00 43.50 H new ATOM 0 HB VAL A 41 -5.997 0.567 -1.988 1.00 51.22 H new ATOM 0 HG11 VAL A 41 -7.495 2.229 -0.921 1.00 43.54 H new ATOM 0 HG12 VAL A 41 -7.688 2.127 -2.687 1.00 43.54 H new ATOM 0 HG13 VAL A 41 -8.891 1.371 -1.615 1.00 43.54 H new ATOM 0 HG21 VAL A 41 -6.879 0.391 0.388 1.00 5.55 H new ATOM 0 HG22 VAL A 41 -8.170 -0.676 -0.216 1.00 5.55 H new ATOM 0 HG23 VAL A 41 -6.470 -1.193 -0.312 1.00 5.55 H new ATOM 652 N TYR A 42 -9.241 -2.196 -2.145 1.00 64.01 N ATOM 653 CA TYR A 42 -10.633 -2.464 -1.785 1.00 72.20 C ATOM 654 C TYR A 42 -10.719 -3.451 -0.625 1.00 74.22 C ATOM 655 O TYR A 42 -9.778 -4.210 -0.397 1.00 45.32 O ATOM 656 CB TYR A 42 -11.425 -2.995 -2.986 1.00 5.32 C ATOM 657 CG TYR A 42 -11.232 -4.440 -3.374 1.00 25.43 C ATOM 658 CD1 TYR A 42 -10.122 -4.804 -4.154 1.00 41.50 C ATOM 659 CD2 TYR A 42 -12.215 -5.394 -3.057 1.00 73.44 C ATOM 660 CE1 TYR A 42 -9.987 -6.126 -4.605 1.00 25.44 C ATOM 661 CE2 TYR A 42 -12.125 -6.698 -3.565 1.00 51.32 C ATOM 662 CZ TYR A 42 -10.992 -7.074 -4.314 1.00 42.24 C ATOM 663 OH TYR A 42 -10.835 -8.360 -4.709 1.00 5.14 O ATOM 0 H TYR A 42 -8.583 -2.896 -1.802 1.00 64.01 H new ATOM 0 HA TYR A 42 -11.075 -1.519 -1.471 1.00 72.20 H new ATOM 0 HB2 TYR A 42 -12.485 -2.842 -2.782 1.00 5.32 H new ATOM 0 HB3 TYR A 42 -11.175 -2.380 -3.850 1.00 5.32 H new ATOM 0 HD1 TYR A 42 -9.373 -4.067 -4.406 1.00 41.50 H new ATOM 0 HD2 TYR A 42 -13.043 -5.121 -2.419 1.00 73.44 H new ATOM 0 HE1 TYR A 42 -9.116 -6.418 -5.173 1.00 25.44 H new ATOM 0 HE2 TYR A 42 -12.918 -7.409 -3.384 1.00 51.32 H new ATOM 0 HH TYR A 42 -11.614 -8.885 -4.431 1.00 5.14 H new ATOM 673 N THR A 43 -11.862 -3.520 0.058 1.00 62.24 N ATOM 674 CA THR A 43 -12.208 -4.688 0.858 1.00 1.04 C ATOM 675 C THR A 43 -13.722 -4.844 0.914 1.00 50.03 C ATOM 676 O THR A 43 -14.434 -3.858 0.693 1.00 30.55 O ATOM 677 CB THR A 43 -11.579 -4.586 2.260 1.00 73.11 C ATOM 678 OG1 THR A 43 -11.434 -5.881 2.777 1.00 54.22 O ATOM 679 CG2 THR A 43 -12.350 -3.749 3.282 1.00 41.21 C ATOM 0 H THR A 43 -12.562 -2.779 0.071 1.00 62.24 H new ATOM 0 HA THR A 43 -11.800 -5.585 0.391 1.00 1.04 H new ATOM 0 HB THR A 43 -10.632 -4.068 2.112 1.00 73.11 H new ATOM 0 HG1 THR A 43 -11.137 -6.486 2.066 1.00 54.22 H new ATOM 0 HG21 THR A 43 -11.814 -3.749 4.231 1.00 41.21 H new ATOM 0 HG22 THR A 43 -12.444 -2.726 2.918 1.00 41.21 H new ATOM 0 HG23 THR A 43 -13.343 -4.175 3.427 1.00 41.21 H new ATOM 687 N GLY A 44 -14.173 -6.050 1.267 1.00 33.42 N ATOM 688 CA GLY A 44 -15.560 -6.438 1.463 1.00 51.34 C ATOM 689 C GLY A 44 -16.335 -6.491 0.146 1.00 45.24 C ATOM 690 O GLY A 44 -16.500 -5.490 -0.551 1.00 51.34 O ATOM 0 H GLY A 44 -13.533 -6.827 1.433 1.00 33.42 H new ATOM 0 HA2 GLY A 44 -15.598 -7.415 1.945 1.00 51.34 H new ATOM 0 HA3 GLY A 44 -16.042 -5.731 2.138 1.00 51.34 H new ATOM 694 N SER A 45 -16.779 -7.679 -0.242 1.00 33.44 N ATOM 695 CA SER A 45 -17.579 -7.894 -1.435 1.00 21.55 C ATOM 696 C SER A 45 -18.571 -9.036 -1.194 1.00 22.41 C ATOM 697 O SER A 45 -18.191 -10.054 -0.603 1.00 33.15 O ATOM 698 CB SER A 45 -16.634 -8.186 -2.600 1.00 2.42 C ATOM 699 OG SER A 45 -15.561 -9.050 -2.250 1.00 65.34 O ATOM 0 H SER A 45 -16.588 -8.536 0.276 1.00 33.44 H new ATOM 0 HA SER A 45 -18.165 -7.008 -1.678 1.00 21.55 H new ATOM 0 HB2 SER A 45 -17.201 -8.635 -3.415 1.00 2.42 H new ATOM 0 HB3 SER A 45 -16.228 -7.246 -2.974 1.00 2.42 H new ATOM 0 HG SER A 45 -15.877 -9.720 -1.609 1.00 65.34 H new ATOM 705 N PRO A 46 -19.794 -8.963 -1.748 1.00 23.32 N ATOM 706 CA PRO A 46 -20.779 -10.024 -1.584 1.00 53.23 C ATOM 707 C PRO A 46 -20.416 -11.272 -2.391 1.00 70.11 C ATOM 708 O PRO A 46 -20.986 -12.334 -2.151 1.00 10.41 O ATOM 709 CB PRO A 46 -22.102 -9.417 -2.052 1.00 32.33 C ATOM 710 CG PRO A 46 -21.682 -8.360 -3.070 1.00 22.41 C ATOM 711 CD PRO A 46 -20.353 -7.854 -2.511 1.00 32.42 C ATOM 0 HA PRO A 46 -20.832 -10.362 -0.549 1.00 53.23 H new ATOM 0 HB2 PRO A 46 -22.750 -10.170 -2.502 1.00 32.33 H new ATOM 0 HB3 PRO A 46 -22.654 -8.975 -1.223 1.00 32.33 H new ATOM 0 HG2 PRO A 46 -21.565 -8.784 -4.067 1.00 22.41 H new ATOM 0 HG3 PRO A 46 -22.418 -7.560 -3.148 1.00 22.41 H new ATOM 0 HD2 PRO A 46 -19.680 -7.554 -3.314 1.00 32.42 H new ATOM 0 HD3 PRO A 46 -20.503 -6.980 -1.877 1.00 32.42 H new ATOM 719 N LEU A 47 -19.478 -11.160 -3.338 1.00 1.31 N ATOM 720 CA LEU A 47 -18.989 -12.233 -4.201 1.00 41.24 C ATOM 721 C LEU A 47 -17.530 -11.977 -4.566 1.00 23.15 C ATOM 722 O LEU A 47 -16.690 -12.872 -4.479 1.00 51.03 O ATOM 723 CB LEU A 47 -19.799 -12.263 -5.509 1.00 12.01 C ATOM 724 CG LEU A 47 -21.266 -12.691 -5.360 1.00 73.10 C ATOM 725 CD1 LEU A 47 -21.955 -12.489 -6.706 1.00 64.41 C ATOM 726 CD2 LEU A 47 -21.382 -14.151 -4.905 1.00 50.03 C ATOM 0 H LEU A 47 -19.017 -10.270 -3.531 1.00 1.31 H new ATOM 0 HA LEU A 47 -19.091 -13.178 -3.667 1.00 41.24 H new ATOM 0 HB2 LEU A 47 -19.771 -11.270 -5.958 1.00 12.01 H new ATOM 0 HB3 LEU A 47 -19.308 -12.942 -6.206 1.00 12.01 H new ATOM 0 HG LEU A 47 -21.747 -12.084 -4.593 1.00 73.10 H new ATOM 0 HD11 LEU A 47 -23.001 -12.786 -6.628 1.00 64.41 H new ATOM 0 HD12 LEU A 47 -21.897 -11.438 -6.991 1.00 64.41 H new ATOM 0 HD13 LEU A 47 -21.461 -13.098 -7.463 1.00 64.41 H new ATOM 0 HD21 LEU A 47 -22.434 -14.420 -4.810 1.00 50.03 H new ATOM 0 HD22 LEU A 47 -20.906 -14.800 -5.640 1.00 50.03 H new ATOM 0 HD23 LEU A 47 -20.888 -14.272 -3.941 1.00 50.03 H new ATOM 738 N SER A 48 -17.250 -10.749 -5.008 1.00 31.31 N ATOM 739 CA SER A 48 -15.976 -10.283 -5.522 1.00 73.12 C ATOM 740 C SER A 48 -16.172 -8.823 -5.905 1.00 74.41 C ATOM 741 O SER A 48 -17.224 -8.485 -6.453 1.00 65.40 O ATOM 742 CB SER A 48 -15.562 -11.089 -6.767 1.00 41.41 C ATOM 743 OG SER A 48 -14.527 -11.984 -6.417 1.00 72.31 O ATOM 0 H SER A 48 -17.956 -10.013 -5.014 1.00 31.31 H new ATOM 0 HA SER A 48 -15.193 -10.404 -4.773 1.00 73.12 H new ATOM 0 HB2 SER A 48 -16.417 -11.639 -7.160 1.00 41.41 H new ATOM 0 HB3 SER A 48 -15.226 -10.416 -7.556 1.00 41.41 H new ATOM 0 HG SER A 48 -14.833 -12.571 -5.694 1.00 72.31 H new ATOM 749 N ASN A 49 -15.198 -7.976 -5.556 1.00 45.13 N ATOM 750 CA ASN A 49 -14.889 -6.692 -6.181 1.00 14.13 C ATOM 751 C ASN A 49 -16.167 -5.890 -6.484 1.00 13.33 C ATOM 752 O ASN A 49 -16.665 -5.831 -7.614 1.00 64.10 O ATOM 753 CB ASN A 49 -14.012 -6.917 -7.405 1.00 11.34 C ATOM 754 CG ASN A 49 -13.304 -5.647 -7.846 1.00 10.34 C ATOM 755 OD1 ASN A 49 -13.944 -4.672 -8.212 1.00 30.14 O ATOM 756 ND2 ASN A 49 -11.982 -5.637 -7.863 1.00 50.14 N ATOM 0 H ASN A 49 -14.567 -8.184 -4.782 1.00 45.13 H new ATOM 0 HA ASN A 49 -14.322 -6.076 -5.483 1.00 14.13 H new ATOM 0 HB2 ASN A 49 -13.271 -7.685 -7.183 1.00 11.34 H new ATOM 0 HB3 ASN A 49 -14.625 -7.293 -8.225 1.00 11.34 H new ATOM 0 HD21 ASN A 49 -11.482 -4.808 -8.185 1.00 50.14 H new ATOM 0 HD22 ASN A 49 -11.462 -6.458 -7.554 1.00 50.14 H new ATOM 763 N GLY A 50 -16.754 -5.362 -5.428 1.00 54.23 N ATOM 764 CA GLY A 50 -18.009 -4.623 -5.435 1.00 74.23 C ATOM 765 C GLY A 50 -17.745 -3.160 -5.732 1.00 4.04 C ATOM 766 O GLY A 50 -18.034 -2.665 -6.825 1.00 11.41 O ATOM 0 H GLY A 50 -16.352 -5.439 -4.494 1.00 54.23 H new ATOM 0 HA2 GLY A 50 -18.682 -5.039 -6.184 1.00 74.23 H new ATOM 0 HA3 GLY A 50 -18.505 -4.723 -4.470 1.00 74.23 H new ATOM 770 N VAL A 51 -17.141 -2.478 -4.763 1.00 62.13 N ATOM 771 CA VAL A 51 -16.724 -1.090 -4.867 1.00 34.35 C ATOM 772 C VAL A 51 -15.210 -1.024 -4.659 1.00 65.13 C ATOM 773 O VAL A 51 -14.733 -0.821 -3.537 1.00 22.45 O ATOM 774 CB VAL A 51 -17.537 -0.177 -3.929 1.00 23.12 C ATOM 775 CG1 VAL A 51 -17.266 1.291 -4.288 1.00 21.21 C ATOM 776 CG2 VAL A 51 -19.044 -0.440 -4.045 1.00 54.24 C ATOM 0 H VAL A 51 -16.923 -2.892 -3.857 1.00 62.13 H new ATOM 0 HA VAL A 51 -16.938 -0.700 -5.862 1.00 34.35 H new ATOM 0 HB VAL A 51 -17.227 -0.391 -2.906 1.00 23.12 H new ATOM 0 HG11 VAL A 51 -17.840 1.939 -3.626 1.00 21.21 H new ATOM 0 HG12 VAL A 51 -16.203 1.504 -4.172 1.00 21.21 H new ATOM 0 HG13 VAL A 51 -17.562 1.474 -5.321 1.00 21.21 H new ATOM 0 HG21 VAL A 51 -19.582 0.223 -3.368 1.00 54.24 H new ATOM 0 HG22 VAL A 51 -19.368 -0.254 -5.069 1.00 54.24 H new ATOM 0 HG23 VAL A 51 -19.254 -1.476 -3.780 1.00 54.24 H new ATOM 786 N PRO A 52 -14.419 -1.232 -5.723 1.00 45.44 N ATOM 787 CA PRO A 52 -12.999 -0.978 -5.649 1.00 63.34 C ATOM 788 C PRO A 52 -12.751 0.525 -5.586 1.00 40.02 C ATOM 789 O PRO A 52 -13.581 1.342 -6.008 1.00 20.41 O ATOM 790 CB PRO A 52 -12.388 -1.641 -6.883 1.00 1.24 C ATOM 791 CG PRO A 52 -13.517 -1.492 -7.907 1.00 4.43 C ATOM 792 CD PRO A 52 -14.800 -1.598 -7.078 1.00 54.03 C ATOM 0 HA PRO A 52 -12.537 -1.391 -4.752 1.00 63.34 H new ATOM 0 HB2 PRO A 52 -11.474 -1.142 -7.206 1.00 1.24 H new ATOM 0 HB3 PRO A 52 -12.134 -2.686 -6.703 1.00 1.24 H new ATOM 0 HG2 PRO A 52 -13.458 -0.536 -8.427 1.00 4.43 H new ATOM 0 HG3 PRO A 52 -13.470 -2.272 -8.667 1.00 4.43 H new ATOM 0 HD2 PRO A 52 -15.572 -0.931 -7.462 1.00 54.03 H new ATOM 0 HD3 PRO A 52 -15.207 -2.609 -7.112 1.00 54.03 H new ATOM 800 N PHE A 53 -11.590 0.894 -5.066 1.00 74.11 N ATOM 801 CA PHE A 53 -11.147 2.261 -4.947 1.00 43.11 C ATOM 802 C PHE A 53 -9.895 2.413 -5.795 1.00 35.21 C ATOM 803 O PHE A 53 -9.091 1.487 -5.898 1.00 55.20 O ATOM 804 CB PHE A 53 -10.889 2.595 -3.475 1.00 62.34 C ATOM 805 CG PHE A 53 -11.036 4.073 -3.198 1.00 31.42 C ATOM 806 CD1 PHE A 53 -12.322 4.619 -3.016 1.00 64.11 C ATOM 807 CD2 PHE A 53 -9.907 4.909 -3.180 1.00 44.33 C ATOM 808 CE1 PHE A 53 -12.482 6.003 -2.835 1.00 20.15 C ATOM 809 CE2 PHE A 53 -10.067 6.290 -2.989 1.00 42.20 C ATOM 810 CZ PHE A 53 -11.353 6.838 -2.823 1.00 55.42 C ATOM 0 H PHE A 53 -10.913 0.222 -4.705 1.00 74.11 H new ATOM 0 HA PHE A 53 -11.906 2.959 -5.302 1.00 43.11 H new ATOM 0 HB2 PHE A 53 -11.585 2.037 -2.849 1.00 62.34 H new ATOM 0 HB3 PHE A 53 -9.885 2.272 -3.200 1.00 62.34 H new ATOM 0 HD1 PHE A 53 -13.187 3.972 -3.016 1.00 64.11 H new ATOM 0 HD2 PHE A 53 -8.920 4.491 -3.313 1.00 44.33 H new ATOM 0 HE1 PHE A 53 -13.469 6.423 -2.706 1.00 20.15 H new ATOM 0 HE2 PHE A 53 -9.201 6.935 -2.969 1.00 42.20 H new ATOM 0 HZ PHE A 53 -11.472 7.903 -2.686 1.00 55.42 H new ATOM 820 N ARG A 54 -9.743 3.587 -6.395 1.00 43.22 N ATOM 821 CA ARG A 54 -8.612 3.995 -7.207 1.00 43.24 C ATOM 822 C ARG A 54 -8.231 5.409 -6.790 1.00 31.11 C ATOM 823 O ARG A 54 -9.072 6.135 -6.256 1.00 4.54 O ATOM 824 CB ARG A 54 -8.927 3.890 -8.716 1.00 13.23 C ATOM 825 CG ARG A 54 -10.322 4.390 -9.151 1.00 11.13 C ATOM 826 CD ARG A 54 -11.276 3.199 -9.314 1.00 34.42 C ATOM 827 NE ARG A 54 -12.699 3.582 -9.424 1.00 2.43 N ATOM 828 CZ ARG A 54 -13.422 3.697 -10.546 1.00 53.40 C ATOM 829 NH1 ARG A 54 -12.878 3.584 -11.749 1.00 13.44 N ATOM 830 NH2 ARG A 54 -14.724 3.946 -10.470 1.00 33.31 N ATOM 0 H ARG A 54 -10.449 4.320 -6.321 1.00 43.22 H new ATOM 0 HA ARG A 54 -7.767 3.327 -7.042 1.00 43.24 H new ATOM 0 HB2 ARG A 54 -8.173 4.454 -9.265 1.00 13.23 H new ATOM 0 HB3 ARG A 54 -8.826 2.847 -9.017 1.00 13.23 H new ATOM 0 HG2 ARG A 54 -10.717 5.084 -8.409 1.00 11.13 H new ATOM 0 HG3 ARG A 54 -10.245 4.937 -10.091 1.00 11.13 H new ATOM 0 HD2 ARG A 54 -10.991 2.637 -10.204 1.00 34.42 H new ATOM 0 HD3 ARG A 54 -11.155 2.530 -8.462 1.00 34.42 H new ATOM 0 HE ARG A 54 -13.184 3.781 -8.549 1.00 2.43 H new ATOM 0 HH11 ARG A 54 -11.878 3.404 -11.842 1.00 13.44 H new ATOM 0 HH12 ARG A 54 -13.459 3.677 -12.582 1.00 13.44 H new ATOM 0 HH21 ARG A 54 -15.171 4.049 -9.559 1.00 33.31 H new ATOM 0 HH22 ARG A 54 -15.277 4.034 -11.323 1.00 33.31 H new ATOM 844 N GLY A 55 -6.981 5.781 -7.023 1.00 74.04 N ATOM 845 CA GLY A 55 -6.418 7.067 -6.639 1.00 51.53 C ATOM 846 C GLY A 55 -5.011 7.183 -7.209 1.00 11.35 C ATOM 847 O GLY A 55 -4.653 6.417 -8.100 1.00 41.20 O ATOM 0 H GLY A 55 -6.310 5.178 -7.499 1.00 74.04 H new ATOM 0 HA2 GLY A 55 -7.043 7.878 -7.012 1.00 51.53 H new ATOM 0 HA3 GLY A 55 -6.393 7.158 -5.553 1.00 51.53 H new ATOM 851 N THR A 56 -4.192 8.104 -6.717 1.00 31.35 N ATOM 852 CA THR A 56 -2.844 8.351 -7.225 1.00 61.24 C ATOM 853 C THR A 56 -1.879 8.478 -6.039 1.00 11.43 C ATOM 854 O THR A 56 -2.208 9.110 -5.028 1.00 42.43 O ATOM 855 CB THR A 56 -2.848 9.575 -8.170 1.00 71.02 C ATOM 856 OG1 THR A 56 -3.970 10.424 -7.953 1.00 11.24 O ATOM 857 CG2 THR A 56 -2.936 9.146 -9.640 1.00 40.52 C ATOM 0 H THR A 56 -4.449 8.712 -5.940 1.00 31.35 H new ATOM 0 HA THR A 56 -2.493 7.514 -7.829 1.00 61.24 H new ATOM 0 HB THR A 56 -1.917 10.099 -7.955 1.00 71.02 H new ATOM 0 HG1 THR A 56 -3.930 11.184 -8.571 1.00 11.24 H new ATOM 0 HG21 THR A 56 -2.937 10.030 -10.278 1.00 40.52 H new ATOM 0 HG22 THR A 56 -2.079 8.520 -9.888 1.00 40.52 H new ATOM 0 HG23 THR A 56 -3.855 8.582 -9.800 1.00 40.52 H new ATOM 865 N TYR A 57 -0.716 7.825 -6.123 1.00 0.25 N ATOM 866 CA TYR A 57 0.284 7.743 -5.064 1.00 14.13 C ATOM 867 C TYR A 57 1.397 8.779 -5.283 1.00 74.24 C ATOM 868 O TYR A 57 1.769 9.033 -6.434 1.00 4.25 O ATOM 869 CB TYR A 57 0.821 6.291 -4.981 1.00 71.10 C ATOM 870 CG TYR A 57 1.561 5.712 -6.174 1.00 64.33 C ATOM 871 CD1 TYR A 57 0.906 4.984 -7.187 1.00 53.21 C ATOM 872 CD2 TYR A 57 2.963 5.831 -6.206 1.00 52.33 C ATOM 873 CE1 TYR A 57 1.651 4.378 -8.220 1.00 11.13 C ATOM 874 CE2 TYR A 57 3.709 5.242 -7.234 1.00 42.53 C ATOM 875 CZ TYR A 57 3.062 4.494 -8.238 1.00 15.40 C ATOM 876 OH TYR A 57 3.818 3.876 -9.188 1.00 62.45 O ATOM 0 H TYR A 57 -0.438 7.321 -6.965 1.00 0.25 H new ATOM 0 HA TYR A 57 -0.170 7.986 -4.103 1.00 14.13 H new ATOM 0 HB2 TYR A 57 1.488 6.235 -4.121 1.00 71.10 H new ATOM 0 HB3 TYR A 57 -0.026 5.638 -4.770 1.00 71.10 H new ATOM 0 HD1 TYR A 57 -0.170 4.890 -7.172 1.00 53.21 H new ATOM 0 HD2 TYR A 57 3.469 6.383 -5.428 1.00 52.33 H new ATOM 0 HE1 TYR A 57 1.145 3.825 -8.998 1.00 11.13 H new ATOM 0 HE2 TYR A 57 4.782 5.361 -7.258 1.00 42.53 H new ATOM 0 HH TYR A 57 3.232 3.420 -9.827 1.00 62.45 H new ATOM 886 N ILE A 58 1.937 9.358 -4.198 1.00 62.23 N ATOM 887 CA ILE A 58 3.009 10.362 -4.243 1.00 61.00 C ATOM 888 C ILE A 58 4.069 10.036 -3.186 1.00 40.22 C ATOM 889 O ILE A 58 3.847 10.170 -1.974 1.00 21.12 O ATOM 890 CB ILE A 58 2.513 11.814 -4.084 1.00 1.12 C ATOM 891 CG1 ILE A 58 1.241 12.122 -4.902 1.00 33.14 C ATOM 892 CG2 ILE A 58 3.641 12.796 -4.457 1.00 22.32 C ATOM 893 CD1 ILE A 58 0.849 13.608 -4.926 1.00 33.25 C ATOM 0 H ILE A 58 1.635 9.137 -3.249 1.00 62.23 H new ATOM 0 HA ILE A 58 3.444 10.307 -5.241 1.00 61.00 H new ATOM 0 HB ILE A 58 2.239 11.939 -3.037 1.00 1.12 H new ATOM 0 HG12 ILE A 58 1.391 11.781 -5.926 1.00 33.14 H new ATOM 0 HG13 ILE A 58 0.411 11.546 -4.492 1.00 33.14 H new ATOM 0 HG21 ILE A 58 3.285 13.820 -4.343 1.00 22.32 H new ATOM 0 HG22 ILE A 58 4.496 12.634 -3.801 1.00 22.32 H new ATOM 0 HG23 ILE A 58 3.941 12.630 -5.492 1.00 22.32 H new ATOM 0 HD11 ILE A 58 -0.055 13.736 -5.522 1.00 33.25 H new ATOM 0 HD12 ILE A 58 0.664 13.952 -3.908 1.00 33.25 H new ATOM 0 HD13 ILE A 58 1.659 14.191 -5.365 1.00 33.25 H new ATOM 905 N ILE A 59 5.254 9.655 -3.652 1.00 54.11 N ATOM 906 CA ILE A 59 6.461 9.569 -2.829 1.00 24.14 C ATOM 907 C ILE A 59 6.953 10.999 -2.558 1.00 4.53 C ATOM 908 O ILE A 59 6.797 11.903 -3.384 1.00 64.21 O ATOM 909 CB ILE A 59 7.584 8.714 -3.479 1.00 55.44 C ATOM 910 CG1 ILE A 59 7.130 7.469 -4.276 1.00 14.31 C ATOM 911 CG2 ILE A 59 8.584 8.276 -2.391 1.00 20.34 C ATOM 912 CD1 ILE A 59 6.262 6.471 -3.506 1.00 33.31 C ATOM 0 H ILE A 59 5.408 9.393 -4.626 1.00 54.11 H new ATOM 0 HA ILE A 59 6.209 9.061 -1.898 1.00 24.14 H new ATOM 0 HB ILE A 59 8.033 9.372 -4.223 1.00 55.44 H new ATOM 0 HG12 ILE A 59 6.576 7.803 -5.153 1.00 14.31 H new ATOM 0 HG13 ILE A 59 8.017 6.948 -4.638 1.00 14.31 H new ATOM 0 HG21 ILE A 59 9.374 7.676 -2.843 1.00 20.34 H new ATOM 0 HG22 ILE A 59 9.021 9.158 -1.923 1.00 20.34 H new ATOM 0 HG23 ILE A 59 8.065 7.684 -1.637 1.00 20.34 H new ATOM 0 HD11 ILE A 59 6.000 5.638 -4.158 1.00 33.31 H new ATOM 0 HD12 ILE A 59 6.815 6.098 -2.644 1.00 33.31 H new ATOM 0 HD13 ILE A 59 5.352 6.966 -3.167 1.00 33.31 H new ATOM 924 N SER A 60 7.539 11.237 -1.384 1.00 73.22 N ATOM 925 CA SER A 60 8.174 12.502 -1.036 1.00 44.34 C ATOM 926 C SER A 60 9.595 12.537 -1.631 1.00 74.01 C ATOM 927 O SER A 60 9.841 11.970 -2.695 1.00 21.33 O ATOM 928 CB SER A 60 8.113 12.708 0.478 1.00 15.51 C ATOM 929 OG SER A 60 8.272 14.070 0.823 1.00 41.32 O ATOM 0 H SER A 60 7.585 10.543 -0.638 1.00 73.22 H new ATOM 0 HA SER A 60 7.642 13.348 -1.471 1.00 44.34 H new ATOM 0 HB2 SER A 60 7.158 12.345 0.857 1.00 15.51 H new ATOM 0 HB3 SER A 60 8.893 12.117 0.958 1.00 15.51 H new ATOM 0 HG SER A 60 8.069 14.192 1.774 1.00 41.32 H new ATOM 935 N LEU A 61 10.499 13.309 -1.023 1.00 24.03 N ATOM 936 CA LEU A 61 11.879 13.505 -1.475 1.00 74.14 C ATOM 937 C LEU A 61 12.574 12.170 -1.718 1.00 14.20 C ATOM 938 O LEU A 61 12.950 11.891 -2.859 1.00 51.11 O ATOM 939 CB LEU A 61 12.674 14.342 -0.454 1.00 73.11 C ATOM 940 CG LEU A 61 12.608 15.861 -0.663 1.00 15.40 C ATOM 941 CD1 LEU A 61 13.375 16.292 -1.911 1.00 14.54 C ATOM 942 CD2 LEU A 61 11.175 16.383 -0.741 1.00 42.23 C ATOM 0 H LEU A 61 10.284 13.832 -0.174 1.00 24.03 H new ATOM 0 HA LEU A 61 11.844 14.048 -2.420 1.00 74.14 H new ATOM 0 HB2 LEU A 61 12.306 14.112 0.546 1.00 73.11 H new ATOM 0 HB3 LEU A 61 13.718 14.032 -0.488 1.00 73.11 H new ATOM 0 HG LEU A 61 13.080 16.300 0.216 1.00 15.40 H new ATOM 0 HD11 LEU A 61 13.305 17.374 -2.025 1.00 14.54 H new ATOM 0 HD12 LEU A 61 14.422 16.004 -1.812 1.00 14.54 H new ATOM 0 HD13 LEU A 61 12.946 15.806 -2.787 1.00 14.54 H new ATOM 0 HD21 LEU A 61 11.189 17.463 -0.889 1.00 42.23 H new ATOM 0 HD22 LEU A 61 10.660 15.909 -1.576 1.00 42.23 H new ATOM 0 HD23 LEU A 61 10.652 16.151 0.187 1.00 42.23 H new ATOM 954 N ASP A 62 12.748 11.379 -0.656 1.00 44.31 N ATOM 955 CA ASP A 62 13.378 10.065 -0.728 1.00 74.31 C ATOM 956 C ASP A 62 12.487 9.141 0.093 1.00 0.44 C ATOM 957 O ASP A 62 11.470 8.674 -0.412 1.00 73.11 O ATOM 958 CB ASP A 62 14.817 10.110 -0.162 1.00 21.33 C ATOM 959 CG ASP A 62 15.832 10.808 -1.061 1.00 13.21 C ATOM 960 OD1 ASP A 62 15.741 12.041 -1.215 1.00 42.15 O ATOM 961 OD2 ASP A 62 16.760 10.150 -1.587 1.00 61.03 O ATOM 0 H ASP A 62 12.452 11.638 0.285 1.00 44.31 H new ATOM 0 HA ASP A 62 13.471 9.716 -1.757 1.00 74.31 H new ATOM 0 HB2 ASP A 62 14.798 10.616 0.803 1.00 21.33 H new ATOM 0 HB3 ASP A 62 15.154 9.089 0.020 1.00 21.33 H new ATOM 966 N GLU A 63 12.711 9.047 1.407 1.00 41.41 N ATOM 967 CA GLU A 63 11.917 8.247 2.309 1.00 3.23 C ATOM 968 C GLU A 63 10.869 9.111 3.018 1.00 32.23 C ATOM 969 O GLU A 63 9.976 8.592 3.679 1.00 54.14 O ATOM 970 CB GLU A 63 12.895 7.642 3.333 1.00 71.44 C ATOM 971 CG GLU A 63 12.436 6.250 3.736 1.00 73.23 C ATOM 972 CD GLU A 63 12.994 5.183 2.782 1.00 50.54 C ATOM 973 OE1 GLU A 63 12.460 5.045 1.658 1.00 25.03 O ATOM 974 OE2 GLU A 63 14.012 4.543 3.151 1.00 74.15 O ATOM 0 H GLU A 63 13.472 9.542 1.872 1.00 41.41 H new ATOM 0 HA GLU A 63 11.379 7.468 1.769 1.00 3.23 H new ATOM 0 HB2 GLU A 63 13.897 7.593 2.906 1.00 71.44 H new ATOM 0 HB3 GLU A 63 12.954 8.283 4.213 1.00 71.44 H new ATOM 0 HG2 GLU A 63 12.762 6.037 4.754 1.00 73.23 H new ATOM 0 HG3 GLU A 63 11.347 6.209 3.735 1.00 73.23 H new ATOM 981 N LYS A 64 10.995 10.438 2.901 1.00 12.50 N ATOM 982 CA LYS A 64 10.495 11.453 3.832 1.00 62.14 C ATOM 983 C LYS A 64 9.061 11.185 4.292 1.00 2.42 C ATOM 984 O LYS A 64 8.805 11.195 5.495 1.00 14.33 O ATOM 985 CB LYS A 64 10.686 12.835 3.184 1.00 62.13 C ATOM 986 CG LYS A 64 10.949 13.997 4.150 1.00 13.40 C ATOM 987 CD LYS A 64 11.359 15.218 3.312 1.00 60.25 C ATOM 988 CE LYS A 64 11.852 16.389 4.161 1.00 23.13 C ATOM 989 NZ LYS A 64 12.784 17.233 3.386 1.00 11.33 N ATOM 0 H LYS A 64 11.478 10.856 2.106 1.00 12.50 H new ATOM 0 HA LYS A 64 11.072 11.416 4.756 1.00 62.14 H new ATOM 0 HB2 LYS A 64 11.519 12.774 2.484 1.00 62.13 H new ATOM 0 HB3 LYS A 64 9.795 13.068 2.600 1.00 62.13 H new ATOM 0 HG2 LYS A 64 10.056 14.217 4.735 1.00 13.40 H new ATOM 0 HG3 LYS A 64 11.737 13.736 4.857 1.00 13.40 H new ATOM 0 HD2 LYS A 64 12.145 14.926 2.615 1.00 60.25 H new ATOM 0 HD3 LYS A 64 10.508 15.543 2.714 1.00 60.25 H new ATOM 0 HE2 LYS A 64 11.004 16.986 4.495 1.00 23.13 H new ATOM 0 HE3 LYS A 64 12.350 16.014 5.055 1.00 23.13 H new ATOM 0 HZ1 LYS A 64 13.110 18.024 3.977 1.00 11.33 H new ATOM 0 HZ2 LYS A 64 13.602 16.664 3.088 1.00 11.33 H new ATOM 0 HZ3 LYS A 64 12.298 17.606 2.546 1.00 11.33 H new ATOM 1003 N LEU A 65 8.142 10.913 3.362 1.00 73.25 N ATOM 1004 CA LEU A 65 6.917 10.161 3.621 1.00 40.14 C ATOM 1005 C LEU A 65 6.310 9.707 2.287 1.00 20.00 C ATOM 1006 O LEU A 65 6.794 10.093 1.217 1.00 14.23 O ATOM 1007 CB LEU A 65 5.892 10.991 4.434 1.00 71.42 C ATOM 1008 CG LEU A 65 5.540 10.408 5.819 1.00 42.22 C ATOM 1009 CD1 LEU A 65 4.333 11.163 6.382 1.00 2.50 C ATOM 1010 CD2 LEU A 65 5.166 8.927 5.793 1.00 63.33 C ATOM 0 H LEU A 65 8.232 11.215 2.392 1.00 73.25 H new ATOM 0 HA LEU A 65 7.169 9.289 4.224 1.00 40.14 H new ATOM 0 HB2 LEU A 65 6.287 11.998 4.569 1.00 71.42 H new ATOM 0 HB3 LEU A 65 4.976 11.083 3.851 1.00 71.42 H new ATOM 0 HG LEU A 65 6.437 10.518 6.428 1.00 42.22 H new ATOM 0 HD11 LEU A 65 4.075 10.759 7.361 1.00 2.50 H new ATOM 0 HD12 LEU A 65 4.578 12.221 6.479 1.00 2.50 H new ATOM 0 HD13 LEU A 65 3.485 11.048 5.707 1.00 2.50 H new ATOM 0 HD21 LEU A 65 4.932 8.593 6.804 1.00 63.33 H new ATOM 0 HD22 LEU A 65 4.296 8.783 5.153 1.00 63.33 H new ATOM 0 HD23 LEU A 65 6.003 8.347 5.404 1.00 63.33 H new ATOM 1022 N ILE A 66 5.206 8.964 2.327 1.00 75.01 N ATOM 1023 CA ILE A 66 4.398 8.606 1.166 1.00 53.22 C ATOM 1024 C ILE A 66 2.923 8.767 1.564 1.00 20.11 C ATOM 1025 O ILE A 66 2.532 8.267 2.623 1.00 13.13 O ATOM 1026 CB ILE A 66 4.799 7.200 0.656 1.00 63.45 C ATOM 1027 CG1 ILE A 66 3.886 6.790 -0.504 1.00 55.32 C ATOM 1028 CG2 ILE A 66 4.807 6.124 1.751 1.00 3.53 C ATOM 1029 CD1 ILE A 66 4.132 5.396 -1.079 1.00 13.31 C ATOM 0 H ILE A 66 4.838 8.582 3.198 1.00 75.01 H new ATOM 0 HA ILE A 66 4.571 9.262 0.313 1.00 53.22 H new ATOM 0 HB ILE A 66 5.830 7.273 0.310 1.00 63.45 H new ATOM 0 HG12 ILE A 66 2.851 6.846 -0.165 1.00 55.32 H new ATOM 0 HG13 ILE A 66 3.999 7.519 -1.306 1.00 55.32 H new ATOM 0 HG21 ILE A 66 5.097 5.167 1.318 1.00 3.53 H new ATOM 0 HG22 ILE A 66 5.519 6.401 2.529 1.00 3.53 H new ATOM 0 HG23 ILE A 66 3.811 6.039 2.185 1.00 3.53 H new ATOM 0 HD11 ILE A 66 3.432 5.209 -1.893 1.00 13.31 H new ATOM 0 HD12 ILE A 66 5.153 5.333 -1.457 1.00 13.31 H new ATOM 0 HD13 ILE A 66 3.987 4.650 -0.298 1.00 13.31 H new ATOM 1041 N LYS A 67 2.132 9.514 0.776 1.00 0.22 N ATOM 1042 CA LYS A 67 0.706 9.731 0.973 1.00 60.31 C ATOM 1043 C LYS A 67 -0.045 9.370 -0.303 1.00 41.54 C ATOM 1044 O LYS A 67 0.324 9.820 -1.390 1.00 54.31 O ATOM 1045 CB LYS A 67 0.406 11.185 1.351 1.00 61.40 C ATOM 1046 CG LYS A 67 1.162 11.719 2.575 1.00 62.10 C ATOM 1047 CD LYS A 67 2.616 12.086 2.331 1.00 72.11 C ATOM 1048 CE LYS A 67 3.099 13.183 3.292 1.00 74.00 C ATOM 1049 NZ LYS A 67 4.107 14.061 2.661 1.00 34.21 N ATOM 0 H LYS A 67 2.492 9.999 -0.046 1.00 0.22 H new ATOM 0 HA LYS A 67 0.377 9.094 1.794 1.00 60.31 H new ATOM 0 HB2 LYS A 67 0.639 11.820 0.496 1.00 61.40 H new ATOM 0 HB3 LYS A 67 -0.664 11.281 1.536 1.00 61.40 H new ATOM 0 HG2 LYS A 67 0.640 12.600 2.948 1.00 62.10 H new ATOM 0 HG3 LYS A 67 1.122 10.967 3.363 1.00 62.10 H new ATOM 0 HD2 LYS A 67 3.239 11.199 2.450 1.00 72.11 H new ATOM 0 HD3 LYS A 67 2.737 12.425 1.302 1.00 72.11 H new ATOM 0 HE2 LYS A 67 2.248 13.782 3.617 1.00 74.00 H new ATOM 0 HE3 LYS A 67 3.525 12.723 4.184 1.00 74.00 H new ATOM 0 HZ1 LYS A 67 4.408 14.788 3.341 1.00 34.21 H new ATOM 0 HZ2 LYS A 67 4.930 13.494 2.373 1.00 34.21 H new ATOM 0 HZ3 LYS A 67 3.693 14.520 1.824 1.00 34.21 H new ATOM 1063 N LEU A 68 -1.079 8.549 -0.158 1.00 62.32 N ATOM 1064 CA LEU A 68 -2.019 8.125 -1.188 1.00 41.24 C ATOM 1065 C LEU A 68 -3.144 9.153 -1.227 1.00 44.21 C ATOM 1066 O LEU A 68 -3.662 9.554 -0.180 1.00 34.02 O ATOM 1067 CB LEU A 68 -2.607 6.766 -0.774 1.00 60.12 C ATOM 1068 CG LEU A 68 -1.591 5.619 -0.894 1.00 64.23 C ATOM 1069 CD1 LEU A 68 -1.707 4.597 0.228 1.00 71.20 C ATOM 1070 CD2 LEU A 68 -1.679 4.942 -2.258 1.00 41.52 C ATOM 0 H LEU A 68 -1.297 8.133 0.747 1.00 62.32 H new ATOM 0 HA LEU A 68 -1.533 8.042 -2.160 1.00 41.24 H new ATOM 0 HB2 LEU A 68 -2.961 6.826 0.255 1.00 60.12 H new ATOM 0 HB3 LEU A 68 -3.474 6.545 -1.397 1.00 60.12 H new ATOM 0 HG LEU A 68 -0.606 6.076 -0.796 1.00 64.23 H new ATOM 0 HD11 LEU A 68 -0.963 3.814 0.085 1.00 71.20 H new ATOM 0 HD12 LEU A 68 -1.538 5.088 1.186 1.00 71.20 H new ATOM 0 HD13 LEU A 68 -2.704 4.156 0.217 1.00 71.20 H new ATOM 0 HD21 LEU A 68 -0.948 4.135 -2.312 1.00 41.52 H new ATOM 0 HD22 LEU A 68 -2.680 4.534 -2.398 1.00 41.52 H new ATOM 0 HD23 LEU A 68 -1.472 5.672 -3.041 1.00 41.52 H new ATOM 1082 N TYR A 69 -3.537 9.555 -2.432 1.00 22.22 N ATOM 1083 CA TYR A 69 -4.617 10.501 -2.659 1.00 53.12 C ATOM 1084 C TYR A 69 -5.805 9.773 -3.270 1.00 41.53 C ATOM 1085 O TYR A 69 -5.645 8.668 -3.792 1.00 73.02 O ATOM 1086 CB TYR A 69 -4.154 11.611 -3.607 1.00 20.32 C ATOM 1087 CG TYR A 69 -3.118 12.586 -3.065 1.00 54.13 C ATOM 1088 CD1 TYR A 69 -1.841 12.172 -2.628 1.00 40.41 C ATOM 1089 CD2 TYR A 69 -3.438 13.954 -3.047 1.00 44.20 C ATOM 1090 CE1 TYR A 69 -0.920 13.119 -2.142 1.00 15.23 C ATOM 1091 CE2 TYR A 69 -2.521 14.907 -2.585 1.00 53.52 C ATOM 1092 CZ TYR A 69 -1.252 14.493 -2.136 1.00 31.13 C ATOM 1093 OH TYR A 69 -0.346 15.417 -1.725 1.00 73.03 O ATOM 0 H TYR A 69 -3.103 9.224 -3.293 1.00 22.22 H new ATOM 0 HA TYR A 69 -4.908 10.946 -1.708 1.00 53.12 H new ATOM 0 HB2 TYR A 69 -3.746 11.144 -4.503 1.00 20.32 H new ATOM 0 HB3 TYR A 69 -5.030 12.182 -3.916 1.00 20.32 H new ATOM 0 HD1 TYR A 69 -1.570 11.127 -2.667 1.00 40.41 H new ATOM 0 HD2 TYR A 69 -4.408 14.277 -3.395 1.00 44.20 H new ATOM 0 HE1 TYR A 69 0.042 12.795 -1.773 1.00 15.23 H new ATOM 0 HE2 TYR A 69 -2.786 15.954 -2.573 1.00 53.52 H new ATOM 0 HH TYR A 69 -0.741 16.312 -1.787 1.00 73.03 H new ATOM 1103 N ASP A 70 -6.980 10.392 -3.269 1.00 20.34 N ATOM 1104 CA ASP A 70 -8.151 9.892 -3.976 1.00 41.50 C ATOM 1105 C ASP A 70 -8.507 10.769 -5.172 1.00 22.45 C ATOM 1106 O ASP A 70 -7.723 11.606 -5.615 1.00 44.10 O ATOM 1107 CB ASP A 70 -9.333 9.699 -3.026 1.00 43.10 C ATOM 1108 CG ASP A 70 -10.037 10.956 -2.528 1.00 42.32 C ATOM 1109 OD1 ASP A 70 -9.653 12.074 -2.925 1.00 2.11 O ATOM 1110 OD2 ASP A 70 -11.070 10.756 -1.847 1.00 24.35 O ATOM 0 H ASP A 70 -7.147 11.266 -2.771 1.00 20.34 H new ATOM 0 HA ASP A 70 -7.900 8.910 -4.376 1.00 41.50 H new ATOM 0 HB2 ASP A 70 -10.072 9.074 -3.528 1.00 43.10 H new ATOM 0 HB3 ASP A 70 -8.981 9.142 -2.158 1.00 43.10 H new ATOM 1115 N LYS A 71 -9.692 10.513 -5.721 1.00 54.23 N ATOM 1116 CA LYS A 71 -10.218 11.158 -6.918 1.00 63.01 C ATOM 1117 C LYS A 71 -10.634 12.609 -6.649 1.00 71.44 C ATOM 1118 O LYS A 71 -10.869 13.346 -7.609 1.00 20.41 O ATOM 1119 CB LYS A 71 -11.415 10.372 -7.490 1.00 55.20 C ATOM 1120 CG LYS A 71 -11.258 8.839 -7.587 1.00 51.43 C ATOM 1121 CD LYS A 71 -11.706 8.054 -6.339 1.00 63.21 C ATOM 1122 CE LYS A 71 -13.186 8.238 -5.986 1.00 2.24 C ATOM 1123 NZ LYS A 71 -14.081 7.579 -6.955 1.00 40.11 N ATOM 0 H LYS A 71 -10.335 9.825 -5.329 1.00 54.23 H new ATOM 0 HA LYS A 71 -9.412 11.165 -7.652 1.00 63.01 H new ATOM 0 HB2 LYS A 71 -12.288 10.586 -6.873 1.00 55.20 H new ATOM 0 HB3 LYS A 71 -11.628 10.756 -8.488 1.00 55.20 H new ATOM 0 HG2 LYS A 71 -11.830 8.485 -8.444 1.00 51.43 H new ATOM 0 HG3 LYS A 71 -10.211 8.609 -7.785 1.00 51.43 H new ATOM 0 HD2 LYS A 71 -11.510 6.994 -6.499 1.00 63.21 H new ATOM 0 HD3 LYS A 71 -11.099 8.365 -5.489 1.00 63.21 H new ATOM 0 HE2 LYS A 71 -13.372 7.834 -4.991 1.00 2.24 H new ATOM 0 HE3 LYS A 71 -13.418 9.302 -5.947 1.00 2.24 H new ATOM 0 HZ1 LYS A 71 -15.070 7.732 -6.673 1.00 40.11 H new ATOM 0 HZ2 LYS A 71 -13.924 7.981 -7.901 1.00 40.11 H new ATOM 0 HZ3 LYS A 71 -13.880 6.559 -6.975 1.00 40.11 H new ATOM 1137 N GLU A 72 -10.754 13.025 -5.388 1.00 41.33 N ATOM 1138 CA GLU A 72 -10.957 14.411 -4.970 1.00 33.01 C ATOM 1139 C GLU A 72 -9.600 15.064 -4.657 1.00 44.20 C ATOM 1140 O GLU A 72 -9.541 16.222 -4.245 1.00 1.52 O ATOM 1141 CB GLU A 72 -11.904 14.436 -3.761 1.00 41.44 C ATOM 1142 CG GLU A 72 -13.298 13.872 -4.081 1.00 4.31 C ATOM 1143 CD GLU A 72 -13.901 13.169 -2.864 1.00 60.32 C ATOM 1144 OE1 GLU A 72 -13.796 13.678 -1.722 1.00 35.35 O ATOM 1145 OE2 GLU A 72 -14.525 12.104 -3.049 1.00 74.13 O ATOM 0 H GLU A 72 -10.711 12.380 -4.599 1.00 41.33 H new ATOM 0 HA GLU A 72 -11.417 14.988 -5.772 1.00 33.01 H new ATOM 0 HB2 GLU A 72 -11.462 13.860 -2.948 1.00 41.44 H new ATOM 0 HB3 GLU A 72 -12.005 15.462 -3.406 1.00 41.44 H new ATOM 0 HG2 GLU A 72 -13.956 14.680 -4.401 1.00 4.31 H new ATOM 0 HG3 GLU A 72 -13.228 13.170 -4.912 1.00 4.31 H new ATOM 1152 N GLU A 73 -8.510 14.322 -4.882 1.00 52.33 N ATOM 1153 CA GLU A 73 -7.117 14.726 -4.861 1.00 14.34 C ATOM 1154 C GLU A 73 -6.723 15.432 -3.563 1.00 33.11 C ATOM 1155 O GLU A 73 -5.852 16.306 -3.560 1.00 53.20 O ATOM 1156 CB GLU A 73 -6.743 15.447 -6.170 1.00 20.25 C ATOM 1157 CG GLU A 73 -6.917 14.491 -7.366 1.00 41.51 C ATOM 1158 CD GLU A 73 -6.385 15.045 -8.686 1.00 64.32 C ATOM 1159 OE1 GLU A 73 -5.276 15.627 -8.708 1.00 4.23 O ATOM 1160 OE2 GLU A 73 -7.016 14.778 -9.734 1.00 15.31 O ATOM 0 H GLU A 73 -8.600 13.330 -5.104 1.00 52.33 H new ATOM 0 HA GLU A 73 -6.488 13.836 -4.840 1.00 14.34 H new ATOM 0 HB2 GLU A 73 -7.372 16.327 -6.303 1.00 20.25 H new ATOM 0 HB3 GLU A 73 -5.712 15.797 -6.120 1.00 20.25 H new ATOM 0 HG2 GLU A 73 -6.407 13.553 -7.146 1.00 41.51 H new ATOM 0 HG3 GLU A 73 -7.976 14.259 -7.481 1.00 41.51 H new ATOM 1167 N HIS A 74 -7.279 14.973 -2.439 1.00 71.13 N ATOM 1168 CA HIS A 74 -6.660 15.129 -1.131 1.00 23.21 C ATOM 1169 C HIS A 74 -5.952 13.827 -0.764 1.00 51.20 C ATOM 1170 O HIS A 74 -6.317 12.754 -1.249 1.00 15.11 O ATOM 1171 CB HIS A 74 -7.706 15.512 -0.082 1.00 33.22 C ATOM 1172 CG HIS A 74 -8.761 14.461 0.189 1.00 64.24 C ATOM 1173 ND1 HIS A 74 -9.901 14.248 -0.548 1.00 53.23 N ATOM 1174 CD2 HIS A 74 -8.783 13.576 1.232 1.00 71.20 C ATOM 1175 CE1 HIS A 74 -10.600 13.264 0.036 1.00 35.44 C ATOM 1176 NE2 HIS A 74 -9.979 12.850 1.159 1.00 43.41 N ATOM 0 H HIS A 74 -8.173 14.482 -2.416 1.00 71.13 H new ATOM 0 HA HIS A 74 -5.927 15.935 -1.162 1.00 23.21 H new ATOM 0 HB2 HIS A 74 -7.194 15.739 0.853 1.00 33.22 H new ATOM 0 HB3 HIS A 74 -8.202 16.427 -0.404 1.00 33.22 H new ATOM 0 HD2 HIS A 74 -8.013 13.458 1.980 1.00 71.20 H new ATOM 0 HE1 HIS A 74 -11.529 12.860 -0.340 1.00 35.44 H new ATOM 0 HE2 HIS A 74 -10.313 12.150 1.821 1.00 43.41 H new ATOM 1184 N CYS A 75 -4.948 13.913 0.108 1.00 22.04 N ATOM 1185 CA CYS A 75 -4.343 12.747 0.732 1.00 51.21 C ATOM 1186 C CYS A 75 -5.332 12.168 1.747 1.00 34.05 C ATOM 1187 O CYS A 75 -5.748 12.879 2.668 1.00 41.11 O ATOM 1188 CB CYS A 75 -3.017 13.131 1.400 1.00 43.13 C ATOM 1189 SG CYS A 75 -3.200 14.613 2.435 1.00 0.45 S ATOM 0 H CYS A 75 -4.533 14.798 0.399 1.00 22.04 H new ATOM 0 HA CYS A 75 -4.121 11.990 -0.020 1.00 51.21 H new ATOM 0 HB2 CYS A 75 -2.662 12.301 2.010 1.00 43.13 H new ATOM 0 HB3 CYS A 75 -2.261 13.311 0.635 1.00 43.13 H new ATOM 0 HG CYS A 75 -4.359 14.591 3.024 1.00 0.45 H new ATOM 1195 N THR A 76 -5.691 10.897 1.606 1.00 71.33 N ATOM 1196 CA THR A 76 -6.643 10.219 2.484 1.00 32.22 C ATOM 1197 C THR A 76 -5.944 9.114 3.286 1.00 54.12 C ATOM 1198 O THR A 76 -6.393 8.779 4.380 1.00 2.41 O ATOM 1199 CB THR A 76 -7.872 9.771 1.664 1.00 73.43 C ATOM 1200 OG1 THR A 76 -8.823 9.073 2.441 1.00 12.13 O ATOM 1201 CG2 THR A 76 -7.525 8.930 0.433 1.00 42.21 C ATOM 0 H THR A 76 -5.324 10.297 0.867 1.00 71.33 H new ATOM 0 HA THR A 76 -7.030 10.900 3.242 1.00 32.22 H new ATOM 0 HB THR A 76 -8.307 10.709 1.319 1.00 73.43 H new ATOM 0 HG1 THR A 76 -9.580 8.814 1.876 1.00 12.13 H new ATOM 0 HG21 THR A 76 -8.441 8.655 -0.090 1.00 42.21 H new ATOM 0 HG22 THR A 76 -6.886 9.508 -0.235 1.00 42.21 H new ATOM 0 HG23 THR A 76 -7.000 8.027 0.745 1.00 42.21 H new ATOM 1209 N GLU A 77 -4.786 8.619 2.836 1.00 20.21 N ATOM 1210 CA GLU A 77 -3.978 7.667 3.588 1.00 44.54 C ATOM 1211 C GLU A 77 -2.518 8.089 3.493 1.00 40.42 C ATOM 1212 O GLU A 77 -2.106 8.682 2.491 1.00 71.42 O ATOM 1213 CB GLU A 77 -4.169 6.251 3.029 1.00 33.04 C ATOM 1214 CG GLU A 77 -5.518 5.631 3.418 1.00 54.13 C ATOM 1215 CD GLU A 77 -5.415 4.104 3.405 1.00 32.43 C ATOM 1216 OE1 GLU A 77 -5.460 3.452 2.338 1.00 43.13 O ATOM 1217 OE2 GLU A 77 -5.208 3.529 4.502 1.00 34.05 O ATOM 0 H GLU A 77 -4.385 8.873 1.933 1.00 20.21 H new ATOM 0 HA GLU A 77 -4.288 7.659 4.633 1.00 44.54 H new ATOM 0 HB2 GLU A 77 -4.089 6.281 1.942 1.00 33.04 H new ATOM 0 HB3 GLU A 77 -3.364 5.612 3.390 1.00 33.04 H new ATOM 0 HG2 GLU A 77 -5.814 5.975 4.409 1.00 54.13 H new ATOM 0 HG3 GLU A 77 -6.292 5.958 2.723 1.00 54.13 H new ATOM 1224 N GLN A 78 -1.711 7.783 4.510 1.00 43.50 N ATOM 1225 CA GLN A 78 -0.293 8.077 4.508 1.00 15.13 C ATOM 1226 C GLN A 78 0.377 6.977 5.317 1.00 64.14 C ATOM 1227 O GLN A 78 -0.223 6.490 6.276 1.00 64.10 O ATOM 1228 CB GLN A 78 -0.095 9.473 5.090 1.00 34.32 C ATOM 1229 CG GLN A 78 -0.769 9.799 6.428 1.00 3.35 C ATOM 1230 CD GLN A 78 -0.198 11.112 6.938 1.00 13.44 C ATOM 1231 OE1 GLN A 78 -0.847 12.152 6.964 1.00 11.51 O ATOM 1232 NE2 GLN A 78 1.056 11.076 7.340 1.00 71.21 N ATOM 0 H GLN A 78 -2.034 7.321 5.360 1.00 43.50 H new ATOM 0 HA GLN A 78 0.152 8.089 3.513 1.00 15.13 H new ATOM 0 HB2 GLN A 78 0.976 9.637 5.208 1.00 34.32 H new ATOM 0 HB3 GLN A 78 -0.449 10.195 4.354 1.00 34.32 H new ATOM 0 HG2 GLN A 78 -1.849 9.878 6.301 1.00 3.35 H new ATOM 0 HG3 GLN A 78 -0.590 9.001 7.149 1.00 3.35 H new ATOM 0 HE21 GLN A 78 1.576 10.199 7.309 1.00 71.21 H new ATOM 0 HE22 GLN A 78 1.507 11.925 7.682 1.00 71.21 H new ATOM 1241 N TYR A 79 1.598 6.580 4.958 1.00 31.13 N ATOM 1242 CA TYR A 79 2.272 5.461 5.606 1.00 5.31 C ATOM 1243 C TYR A 79 3.772 5.716 5.684 1.00 24.14 C ATOM 1244 O TYR A 79 4.350 6.278 4.752 1.00 74.15 O ATOM 1245 CB TYR A 79 1.992 4.194 4.796 1.00 34.22 C ATOM 1246 CG TYR A 79 0.562 3.702 4.897 1.00 2.42 C ATOM 1247 CD1 TYR A 79 0.146 3.177 6.123 1.00 44.30 C ATOM 1248 CD2 TYR A 79 -0.348 3.753 3.817 1.00 23.02 C ATOM 1249 CE1 TYR A 79 -1.145 2.679 6.258 1.00 14.42 C ATOM 1250 CE2 TYR A 79 -1.653 3.228 3.949 1.00 50.44 C ATOM 1251 CZ TYR A 79 -2.048 2.677 5.186 1.00 34.15 C ATOM 1252 OH TYR A 79 -3.255 2.094 5.400 1.00 63.21 O ATOM 0 H TYR A 79 2.141 7.022 4.216 1.00 31.13 H new ATOM 0 HA TYR A 79 1.898 5.344 6.623 1.00 5.31 H new ATOM 0 HB2 TYR A 79 2.227 4.385 3.749 1.00 34.22 H new ATOM 0 HB3 TYR A 79 2.662 3.404 5.134 1.00 34.22 H new ATOM 0 HD1 TYR A 79 0.825 3.158 6.963 1.00 44.30 H new ATOM 0 HD2 TYR A 79 -0.043 4.198 2.881 1.00 23.02 H new ATOM 0 HE1 TYR A 79 -1.460 2.284 7.213 1.00 14.42 H new ATOM 0 HE2 TYR A 79 -2.338 3.248 3.115 1.00 50.44 H new ATOM 0 HH TYR A 79 -3.964 2.670 5.046 1.00 63.21 H new ATOM 1262 N HIS A 80 4.416 5.275 6.768 1.00 32.20 N ATOM 1263 CA HIS A 80 5.864 5.371 6.915 1.00 31.02 C ATOM 1264 C HIS A 80 6.506 4.166 6.228 1.00 41.42 C ATOM 1265 O HIS A 80 6.272 3.031 6.656 1.00 72.21 O ATOM 1266 CB HIS A 80 6.318 5.460 8.390 1.00 23.01 C ATOM 1267 CG HIS A 80 7.131 6.700 8.707 1.00 23.43 C ATOM 1268 ND1 HIS A 80 7.767 7.527 7.809 1.00 63.02 N ATOM 1269 CD2 HIS A 80 7.368 7.214 9.952 1.00 64.32 C ATOM 1270 CE1 HIS A 80 8.343 8.528 8.483 1.00 73.01 C ATOM 1271 NE2 HIS A 80 8.142 8.374 9.804 1.00 1.34 N ATOM 0 H HIS A 80 3.947 4.843 7.564 1.00 32.20 H new ATOM 0 HA HIS A 80 6.189 6.299 6.445 1.00 31.02 H new ATOM 0 HB2 HIS A 80 5.438 5.440 9.033 1.00 23.01 H new ATOM 0 HB3 HIS A 80 6.910 4.577 8.632 1.00 23.01 H new ATOM 0 HD2 HIS A 80 7.020 6.799 10.886 1.00 64.32 H new ATOM 0 HE1 HIS A 80 8.890 9.342 8.032 1.00 73.01 H new ATOM 0 HE2 HIS A 80 8.484 8.980 10.550 1.00 1.34 H new ATOM 1279 N ILE A 81 7.330 4.407 5.203 1.00 52.43 N ATOM 1280 CA ILE A 81 8.176 3.382 4.603 1.00 33.44 C ATOM 1281 C ILE A 81 9.239 3.065 5.649 1.00 74.13 C ATOM 1282 O ILE A 81 10.009 3.952 6.037 1.00 13.21 O ATOM 1283 CB ILE A 81 8.846 3.845 3.281 1.00 1.32 C ATOM 1284 CG1 ILE A 81 7.819 4.434 2.291 1.00 14.42 C ATOM 1285 CG2 ILE A 81 9.657 2.685 2.663 1.00 42.55 C ATOM 1286 CD1 ILE A 81 8.406 4.889 0.947 1.00 33.22 C ATOM 0 H ILE A 81 7.426 5.324 4.768 1.00 52.43 H new ATOM 0 HA ILE A 81 7.575 2.513 4.333 1.00 33.44 H new ATOM 0 HB ILE A 81 9.539 4.654 3.512 1.00 1.32 H new ATOM 0 HG12 ILE A 81 7.049 3.686 2.100 1.00 14.42 H new ATOM 0 HG13 ILE A 81 7.327 5.285 2.763 1.00 14.42 H new ATOM 0 HG21 ILE A 81 10.123 3.020 1.736 1.00 42.55 H new ATOM 0 HG22 ILE A 81 10.430 2.368 3.363 1.00 42.55 H new ATOM 0 HG23 ILE A 81 8.992 1.848 2.453 1.00 42.55 H new ATOM 0 HD11 ILE A 81 7.610 5.288 0.319 1.00 33.22 H new ATOM 0 HD12 ILE A 81 9.154 5.663 1.120 1.00 33.22 H new ATOM 0 HD13 ILE A 81 8.872 4.040 0.447 1.00 33.22 H new ATOM 1298 N LEU A 82 9.290 1.813 6.097 1.00 71.23 N ATOM 1299 CA LEU A 82 10.433 1.318 6.853 1.00 73.11 C ATOM 1300 C LEU A 82 11.354 0.572 5.890 1.00 12.14 C ATOM 1301 O LEU A 82 12.515 0.952 5.750 1.00 4.10 O ATOM 1302 CB LEU A 82 9.991 0.490 8.068 1.00 22.00 C ATOM 1303 CG LEU A 82 8.969 1.200 8.983 1.00 64.21 C ATOM 1304 CD1 LEU A 82 8.695 0.325 10.207 1.00 1.14 C ATOM 1305 CD2 LEU A 82 9.430 2.585 9.461 1.00 54.15 C ATOM 0 H LEU A 82 8.552 1.124 5.949 1.00 71.23 H new ATOM 0 HA LEU A 82 10.997 2.145 7.284 1.00 73.11 H new ATOM 0 HB2 LEU A 82 9.557 -0.446 7.717 1.00 22.00 H new ATOM 0 HB3 LEU A 82 10.871 0.232 8.657 1.00 22.00 H new ATOM 0 HG LEU A 82 8.069 1.350 8.386 1.00 64.21 H new ATOM 0 HD11 LEU A 82 7.974 0.822 10.856 1.00 1.14 H new ATOM 0 HD12 LEU A 82 8.292 -0.635 9.885 1.00 1.14 H new ATOM 0 HD13 LEU A 82 9.624 0.163 10.754 1.00 1.14 H new ATOM 0 HD21 LEU A 82 8.663 3.024 10.099 1.00 54.15 H new ATOM 0 HD22 LEU A 82 10.357 2.485 10.025 1.00 54.15 H new ATOM 0 HD23 LEU A 82 9.598 3.230 8.599 1.00 54.15 H new ATOM 1317 N LYS A 83 10.835 -0.421 5.159 1.00 62.25 N ATOM 1318 CA LYS A 83 11.495 -1.051 4.013 1.00 41.44 C ATOM 1319 C LYS A 83 10.450 -1.308 2.933 1.00 54.34 C ATOM 1320 O LYS A 83 9.248 -1.390 3.218 1.00 41.14 O ATOM 1321 CB LYS A 83 12.168 -2.385 4.408 1.00 73.22 C ATOM 1322 CG LYS A 83 13.595 -2.274 4.976 1.00 71.11 C ATOM 1323 CD LYS A 83 14.697 -2.655 3.969 1.00 11.10 C ATOM 1324 CE LYS A 83 15.036 -1.598 2.906 1.00 33.24 C ATOM 1325 NZ LYS A 83 15.642 -0.381 3.488 1.00 4.33 N ATOM 0 H LYS A 83 9.917 -0.819 5.355 1.00 62.25 H new ATOM 0 HA LYS A 83 12.274 -0.382 3.647 1.00 41.44 H new ATOM 0 HB2 LYS A 83 11.540 -2.881 5.148 1.00 73.22 H new ATOM 0 HB3 LYS A 83 12.196 -3.030 3.530 1.00 73.22 H new ATOM 0 HG2 LYS A 83 13.763 -1.251 5.314 1.00 71.11 H new ATOM 0 HG3 LYS A 83 13.678 -2.917 5.852 1.00 71.11 H new ATOM 0 HD2 LYS A 83 15.605 -2.886 4.525 1.00 11.10 H new ATOM 0 HD3 LYS A 83 14.395 -3.570 3.459 1.00 11.10 H new ATOM 0 HE2 LYS A 83 15.723 -2.028 2.177 1.00 33.24 H new ATOM 0 HE3 LYS A 83 14.128 -1.326 2.367 1.00 33.24 H new ATOM 0 HZ1 LYS A 83 15.929 0.264 2.724 1.00 4.33 H new ATOM 0 HZ2 LYS A 83 14.948 0.094 4.099 1.00 4.33 H new ATOM 0 HZ3 LYS A 83 16.476 -0.644 4.051 1.00 4.33 H new ATOM 1339 N LEU A 84 10.957 -1.487 1.717 1.00 33.40 N ATOM 1340 CA LEU A 84 10.317 -2.000 0.519 1.00 14.42 C ATOM 1341 C LEU A 84 11.334 -3.025 0.018 1.00 25.22 C ATOM 1342 O LEU A 84 12.519 -2.687 0.006 1.00 64.23 O ATOM 1343 CB LEU A 84 10.187 -0.847 -0.505 1.00 72.02 C ATOM 1344 CG LEU A 84 9.200 -0.992 -1.681 1.00 1.13 C ATOM 1345 CD1 LEU A 84 8.845 -2.418 -2.078 1.00 11.14 C ATOM 1346 CD2 LEU A 84 7.911 -0.252 -1.376 1.00 13.42 C ATOM 0 H LEU A 84 11.931 -1.249 1.532 1.00 33.40 H new ATOM 0 HA LEU A 84 9.322 -2.416 0.679 1.00 14.42 H new ATOM 0 HB2 LEU A 84 9.910 0.052 0.046 1.00 72.02 H new ATOM 0 HB3 LEU A 84 11.176 -0.670 -0.927 1.00 72.02 H new ATOM 0 HG LEU A 84 9.734 -0.564 -2.529 1.00 1.13 H new ATOM 0 HD11 LEU A 84 8.145 -2.400 -2.914 1.00 11.14 H new ATOM 0 HD12 LEU A 84 9.750 -2.949 -2.374 1.00 11.14 H new ATOM 0 HD13 LEU A 84 8.385 -2.928 -1.231 1.00 11.14 H new ATOM 0 HD21 LEU A 84 7.222 -0.361 -2.213 1.00 13.42 H new ATOM 0 HD22 LEU A 84 7.457 -0.667 -0.476 1.00 13.42 H new ATOM 0 HD23 LEU A 84 8.127 0.805 -1.219 1.00 13.42 H new ATOM 1358 N THR A 85 10.914 -4.221 -0.380 1.00 34.11 N ATOM 1359 CA THR A 85 11.723 -5.158 -1.155 1.00 13.10 C ATOM 1360 C THR A 85 10.848 -5.764 -2.272 1.00 52.52 C ATOM 1361 O THR A 85 9.689 -5.374 -2.433 1.00 61.41 O ATOM 1362 CB THR A 85 12.395 -6.210 -0.245 1.00 64.44 C ATOM 1363 OG1 THR A 85 11.496 -7.226 0.159 1.00 30.21 O ATOM 1364 CG2 THR A 85 13.060 -5.635 1.015 1.00 65.35 C ATOM 0 H THR A 85 9.981 -4.575 -0.169 1.00 34.11 H new ATOM 0 HA THR A 85 12.552 -4.636 -1.633 1.00 13.10 H new ATOM 0 HB THR A 85 13.178 -6.625 -0.880 1.00 64.44 H new ATOM 0 HG1 THR A 85 11.965 -7.869 0.731 1.00 30.21 H new ATOM 0 HG21 THR A 85 13.505 -6.445 1.593 1.00 65.35 H new ATOM 0 HG22 THR A 85 13.836 -4.926 0.726 1.00 65.35 H new ATOM 0 HG23 THR A 85 12.311 -5.126 1.621 1.00 65.35 H new ATOM 1372 N SER A 86 11.332 -6.725 -3.057 1.00 31.24 N ATOM 1373 CA SER A 86 10.526 -7.428 -4.043 1.00 73.14 C ATOM 1374 C SER A 86 9.487 -8.343 -3.402 1.00 62.35 C ATOM 1375 O SER A 86 8.656 -8.865 -4.138 1.00 41.22 O ATOM 1376 CB SER A 86 11.429 -8.220 -4.994 1.00 74.03 C ATOM 1377 OG SER A 86 12.039 -7.353 -5.935 1.00 25.10 O ATOM 0 H SER A 86 12.302 -7.037 -3.023 1.00 31.24 H new ATOM 0 HA SER A 86 9.977 -6.676 -4.610 1.00 73.14 H new ATOM 0 HB2 SER A 86 12.195 -8.745 -4.424 1.00 74.03 H new ATOM 0 HB3 SER A 86 10.843 -8.978 -5.515 1.00 74.03 H new ATOM 0 HG SER A 86 12.614 -7.873 -6.534 1.00 25.10 H new ATOM 1383 N LYS A 87 9.460 -8.509 -2.078 1.00 62.43 N ATOM 1384 CA LYS A 87 8.501 -9.374 -1.405 1.00 43.31 C ATOM 1385 C LYS A 87 7.981 -8.818 -0.085 1.00 52.55 C ATOM 1386 O LYS A 87 6.924 -9.249 0.369 1.00 14.33 O ATOM 1387 CB LYS A 87 9.056 -10.802 -1.290 1.00 51.42 C ATOM 1388 CG LYS A 87 10.575 -10.973 -1.100 1.00 44.25 C ATOM 1389 CD LYS A 87 10.982 -12.448 -1.239 1.00 63.12 C ATOM 1390 CE LYS A 87 10.385 -13.329 -0.133 1.00 63.12 C ATOM 1391 NZ LYS A 87 10.487 -14.766 -0.453 1.00 70.35 N ATOM 0 H LYS A 87 10.108 -8.043 -1.443 1.00 62.43 H new ATOM 0 HA LYS A 87 7.611 -9.413 -2.033 1.00 43.31 H new ATOM 0 HB2 LYS A 87 8.558 -11.288 -0.451 1.00 51.42 H new ATOM 0 HB3 LYS A 87 8.768 -11.346 -2.190 1.00 51.42 H new ATOM 0 HG2 LYS A 87 11.108 -10.373 -1.838 1.00 44.25 H new ATOM 0 HG3 LYS A 87 10.867 -10.602 -0.117 1.00 44.25 H new ATOM 0 HD2 LYS A 87 10.658 -12.821 -2.211 1.00 63.12 H new ATOM 0 HD3 LYS A 87 12.069 -12.526 -1.214 1.00 63.12 H new ATOM 0 HE2 LYS A 87 10.900 -13.130 0.807 1.00 63.12 H new ATOM 0 HE3 LYS A 87 9.338 -13.064 0.015 1.00 63.12 H new ATOM 0 HZ1 LYS A 87 10.072 -15.324 0.320 1.00 70.35 H new ATOM 0 HZ2 LYS A 87 9.974 -14.962 -1.336 1.00 70.35 H new ATOM 0 HZ3 LYS A 87 11.487 -15.026 -0.569 1.00 70.35 H new ATOM 1405 N GLU A 88 8.634 -7.826 0.517 1.00 32.23 N ATOM 1406 CA GLU A 88 8.335 -7.411 1.880 1.00 73.21 C ATOM 1407 C GLU A 88 8.082 -5.903 1.908 1.00 11.41 C ATOM 1408 O GLU A 88 8.821 -5.134 1.288 1.00 41.22 O ATOM 1409 CB GLU A 88 9.532 -7.814 2.752 1.00 45.42 C ATOM 1410 CG GLU A 88 9.117 -8.127 4.186 1.00 10.53 C ATOM 1411 CD GLU A 88 10.361 -8.237 5.058 1.00 5.14 C ATOM 1412 OE1 GLU A 88 11.061 -9.272 5.031 1.00 5.32 O ATOM 1413 OE2 GLU A 88 10.673 -7.226 5.734 1.00 44.45 O ATOM 0 H GLU A 88 9.381 -7.291 0.074 1.00 32.23 H new ATOM 0 HA GLU A 88 7.435 -7.892 2.264 1.00 73.21 H new ATOM 0 HB2 GLU A 88 10.019 -8.687 2.317 1.00 45.42 H new ATOM 0 HB3 GLU A 88 10.266 -7.008 2.755 1.00 45.42 H new ATOM 0 HG2 GLU A 88 8.461 -7.344 4.566 1.00 10.53 H new ATOM 0 HG3 GLU A 88 8.553 -9.059 4.218 1.00 10.53 H new ATOM 1420 N MET A 89 7.037 -5.449 2.607 1.00 70.32 N ATOM 1421 CA MET A 89 6.715 -4.031 2.690 1.00 50.54 C ATOM 1422 C MET A 89 6.118 -3.688 4.055 1.00 25.32 C ATOM 1423 O MET A 89 5.018 -4.125 4.407 1.00 64.41 O ATOM 1424 CB MET A 89 5.807 -3.657 1.514 1.00 13.43 C ATOM 1425 CG MET A 89 5.524 -2.160 1.471 1.00 34.20 C ATOM 1426 SD MET A 89 4.769 -1.602 -0.085 1.00 33.33 S ATOM 1427 CE MET A 89 3.037 -1.926 0.283 1.00 51.22 C ATOM 0 H MET A 89 6.399 -6.053 3.125 1.00 70.32 H new ATOM 0 HA MET A 89 7.621 -3.430 2.609 1.00 50.54 H new ATOM 0 HB2 MET A 89 6.277 -3.965 0.580 1.00 13.43 H new ATOM 0 HB3 MET A 89 4.867 -4.203 1.593 1.00 13.43 H new ATOM 0 HG2 MET A 89 4.863 -1.900 2.298 1.00 34.20 H new ATOM 0 HG3 MET A 89 6.457 -1.618 1.626 1.00 34.20 H new ATOM 0 HE1 MET A 89 2.568 -2.413 -0.572 1.00 51.22 H new ATOM 0 HE2 MET A 89 2.966 -2.576 1.155 1.00 51.22 H new ATOM 0 HE3 MET A 89 2.527 -0.985 0.490 1.00 51.22 H new ATOM 1437 N LYS A 90 6.867 -2.899 4.830 1.00 11.53 N ATOM 1438 CA LYS A 90 6.459 -2.349 6.122 1.00 3.24 C ATOM 1439 C LYS A 90 5.998 -0.925 5.908 1.00 65.42 C ATOM 1440 O LYS A 90 6.817 -0.004 5.890 1.00 4.44 O ATOM 1441 CB LYS A 90 7.612 -2.355 7.134 1.00 30.32 C ATOM 1442 CG LYS A 90 7.648 -3.573 8.065 1.00 32.20 C ATOM 1443 CD LYS A 90 8.946 -3.541 8.878 1.00 71.11 C ATOM 1444 CE LYS A 90 8.927 -4.504 10.068 1.00 52.42 C ATOM 1445 NZ LYS A 90 10.284 -5.020 10.325 1.00 54.22 N ATOM 0 H LYS A 90 7.810 -2.616 4.563 1.00 11.53 H new ATOM 0 HA LYS A 90 5.658 -2.969 6.525 1.00 3.24 H new ATOM 0 HB2 LYS A 90 8.555 -2.305 6.589 1.00 30.32 H new ATOM 0 HB3 LYS A 90 7.547 -1.453 7.742 1.00 30.32 H new ATOM 0 HG2 LYS A 90 6.786 -3.563 8.732 1.00 32.20 H new ATOM 0 HG3 LYS A 90 7.590 -4.493 7.484 1.00 32.20 H new ATOM 0 HD2 LYS A 90 9.783 -3.793 8.227 1.00 71.11 H new ATOM 0 HD3 LYS A 90 9.117 -2.527 9.240 1.00 71.11 H new ATOM 0 HE2 LYS A 90 8.551 -3.992 10.954 1.00 52.42 H new ATOM 0 HE3 LYS A 90 8.247 -5.332 9.865 1.00 52.42 H new ATOM 0 HZ1 LYS A 90 10.260 -5.673 11.134 1.00 54.22 H new ATOM 0 HZ2 LYS A 90 10.629 -5.525 9.484 1.00 54.22 H new ATOM 0 HZ3 LYS A 90 10.922 -4.227 10.539 1.00 54.22 H new ATOM 1459 N TRP A 91 4.699 -0.767 5.684 1.00 62.34 N ATOM 1460 CA TRP A 91 3.992 0.480 5.879 1.00 70.15 C ATOM 1461 C TRP A 91 3.649 0.500 7.361 1.00 24.12 C ATOM 1462 O TRP A 91 2.736 -0.222 7.785 1.00 73.45 O ATOM 1463 CB TRP A 91 2.718 0.508 5.021 1.00 31.41 C ATOM 1464 CG TRP A 91 2.878 0.905 3.584 1.00 42.41 C ATOM 1465 CD1 TRP A 91 1.861 1.410 2.856 1.00 44.43 C ATOM 1466 CD2 TRP A 91 4.066 0.997 2.719 1.00 43.11 C ATOM 1467 NE1 TRP A 91 2.339 1.876 1.656 1.00 24.22 N ATOM 1468 CE2 TRP A 91 3.682 1.662 1.518 1.00 73.13 C ATOM 1469 CE3 TRP A 91 5.438 0.662 2.808 1.00 70.33 C ATOM 1470 CZ2 TRP A 91 4.582 2.010 0.505 1.00 53.45 C ATOM 1471 CZ3 TRP A 91 6.346 0.986 1.785 1.00 4.10 C ATOM 1472 CH2 TRP A 91 5.931 1.682 0.641 1.00 25.32 C ATOM 0 H TRP A 91 4.100 -1.524 5.354 1.00 62.34 H new ATOM 0 HA TRP A 91 4.583 1.347 5.586 1.00 70.15 H new ATOM 0 HB2 TRP A 91 2.267 -0.484 5.051 1.00 31.41 H new ATOM 0 HB3 TRP A 91 2.010 1.194 5.486 1.00 31.41 H new ATOM 0 HD1 TRP A 91 0.828 1.443 3.169 1.00 44.43 H new ATOM 0 HE1 TRP A 91 1.759 2.329 0.950 1.00 24.22 H new ATOM 0 HE3 TRP A 91 5.797 0.144 3.685 1.00 70.33 H new ATOM 0 HZ2 TRP A 91 4.235 2.529 -0.376 1.00 53.45 H new ATOM 0 HZ3 TRP A 91 7.381 0.694 1.882 1.00 4.10 H new ATOM 0 HH2 TRP A 91 6.643 1.959 -0.122 1.00 25.32 H new ATOM 1483 N GLU A 92 4.404 1.229 8.176 1.00 44.31 N ATOM 1484 CA GLU A 92 3.929 1.566 9.512 1.00 33.34 C ATOM 1485 C GLU A 92 2.915 2.711 9.381 1.00 23.43 C ATOM 1486 O GLU A 92 2.895 3.402 8.362 1.00 42.41 O ATOM 1487 CB GLU A 92 5.105 1.947 10.425 1.00 23.23 C ATOM 1488 CG GLU A 92 4.814 1.524 11.874 1.00 13.44 C ATOM 1489 CD GLU A 92 5.812 2.115 12.869 1.00 3.51 C ATOM 1490 OE1 GLU A 92 6.882 1.511 13.127 1.00 4.13 O ATOM 1491 OE2 GLU A 92 5.530 3.206 13.408 1.00 14.43 O ATOM 0 H GLU A 92 5.328 1.591 7.942 1.00 44.31 H new ATOM 0 HA GLU A 92 3.443 0.706 9.972 1.00 33.34 H new ATOM 0 HB2 GLU A 92 6.018 1.465 10.074 1.00 23.23 H new ATOM 0 HB3 GLU A 92 5.275 3.023 10.380 1.00 23.23 H new ATOM 0 HG2 GLU A 92 3.806 1.839 12.145 1.00 13.44 H new ATOM 0 HG3 GLU A 92 4.838 0.436 11.943 1.00 13.44 H new ATOM 1498 N ASN A 93 2.102 2.935 10.417 1.00 51.11 N ATOM 1499 CA ASN A 93 1.144 4.040 10.487 1.00 53.34 C ATOM 1500 C ASN A 93 1.812 5.361 10.107 1.00 30.03 C ATOM 1501 O ASN A 93 1.445 5.998 9.126 1.00 22.03 O ATOM 1502 CB ASN A 93 0.532 4.147 11.900 1.00 54.41 C ATOM 1503 CG ASN A 93 -0.968 4.032 11.901 1.00 24.02 C ATOM 1504 OD1 ASN A 93 -1.489 2.924 11.845 1.00 54.13 O ATOM 1505 ND2 ASN A 93 -1.675 5.142 11.971 1.00 13.44 N ATOM 0 H ASN A 93 2.092 2.341 11.246 1.00 51.11 H new ATOM 0 HA ASN A 93 0.345 3.834 9.775 1.00 53.34 H new ATOM 0 HB2 ASN A 93 0.951 3.364 12.532 1.00 54.41 H new ATOM 0 HB3 ASN A 93 0.818 5.101 12.343 1.00 54.41 H new ATOM 0 HD21 ASN A 93 -2.694 5.098 11.980 1.00 13.44 H new ATOM 0 HD22 ASN A 93 -1.203 6.045 12.016 1.00 13.44 H new ATOM 1512 N ALA A 94 2.813 5.770 10.887 1.00 45.13 N ATOM 1513 CA ALA A 94 3.285 7.142 11.027 1.00 31.32 C ATOM 1514 C ALA A 94 2.226 8.069 11.621 1.00 64.20 C ATOM 1515 O ALA A 94 2.588 8.782 12.556 1.00 44.34 O ATOM 1516 CB ALA A 94 3.876 7.747 9.743 1.00 52.15 C ATOM 0 H ALA A 94 3.341 5.118 11.466 1.00 45.13 H new ATOM 0 HA ALA A 94 4.110 7.065 11.735 1.00 31.32 H new ATOM 0 HB1 ALA A 94 4.201 8.769 9.939 1.00 52.15 H new ATOM 0 HB2 ALA A 94 4.729 7.150 9.419 1.00 52.15 H new ATOM 0 HB3 ALA A 94 3.117 7.751 8.960 1.00 52.15 H new ATOM 1522 N SER A 95 0.989 8.133 11.097 1.00 22.14 N ATOM 1523 CA SER A 95 0.091 9.231 11.443 1.00 63.00 C ATOM 1524 C SER A 95 -1.227 8.727 12.054 1.00 24.25 C ATOM 1525 O SER A 95 -2.289 8.764 11.429 1.00 52.23 O ATOM 1526 CB SER A 95 -0.083 10.102 10.210 1.00 63.20 C ATOM 1527 OG SER A 95 -0.009 11.473 10.537 1.00 3.21 O ATOM 0 H SER A 95 0.601 7.450 10.447 1.00 22.14 H new ATOM 0 HA SER A 95 0.523 9.845 12.233 1.00 63.00 H new ATOM 0 HB2 SER A 95 0.687 9.858 9.478 1.00 63.20 H new ATOM 0 HB3 SER A 95 -1.045 9.888 9.744 1.00 63.20 H new ATOM 0 HG SER A 95 -0.122 12.010 9.725 1.00 3.21 H new ATOM 1533 N PRO A 96 -1.203 8.297 13.326 1.00 12.53 N ATOM 1534 CA PRO A 96 -2.375 7.787 14.025 1.00 73.03 C ATOM 1535 C PRO A 96 -3.478 8.847 14.207 1.00 14.35 C ATOM 1536 O PRO A 96 -4.557 8.506 14.694 1.00 73.00 O ATOM 1537 CB PRO A 96 -1.844 7.271 15.366 1.00 24.03 C ATOM 1538 CG PRO A 96 -0.625 8.152 15.627 1.00 10.12 C ATOM 1539 CD PRO A 96 -0.069 8.385 14.225 1.00 24.45 C ATOM 0 HA PRO A 96 -2.863 7.001 13.449 1.00 73.03 H new ATOM 0 HB2 PRO A 96 -2.587 7.369 16.157 1.00 24.03 H new ATOM 0 HB3 PRO A 96 -1.573 6.216 15.312 1.00 24.03 H new ATOM 0 HG2 PRO A 96 -0.899 9.088 16.114 1.00 10.12 H new ATOM 0 HG3 PRO A 96 0.101 7.657 16.273 1.00 10.12 H new ATOM 0 HD2 PRO A 96 0.411 9.361 14.153 1.00 24.45 H new ATOM 0 HD3 PRO A 96 0.686 7.639 13.975 1.00 24.45 H new ATOM 1547 N LYS A 97 -3.224 10.118 13.860 1.00 3.11 N ATOM 1548 CA LYS A 97 -4.169 11.222 13.978 1.00 73.23 C ATOM 1549 C LYS A 97 -5.326 11.066 12.991 1.00 54.34 C ATOM 1550 O LYS A 97 -6.479 11.050 13.422 1.00 74.14 O ATOM 1551 CB LYS A 97 -3.413 12.565 13.933 1.00 13.31 C ATOM 1552 CG LYS A 97 -3.022 13.147 12.561 1.00 12.11 C ATOM 1553 CD LYS A 97 -1.571 13.632 12.439 1.00 62.41 C ATOM 1554 CE LYS A 97 -1.178 14.737 13.418 1.00 25.22 C ATOM 1555 NZ LYS A 97 -1.693 16.074 13.059 1.00 41.42 N ATOM 0 H LYS A 97 -2.324 10.408 13.478 1.00 3.11 H new ATOM 0 HA LYS A 97 -4.660 11.207 14.951 1.00 73.23 H new ATOM 0 HB2 LYS A 97 -4.026 13.307 14.444 1.00 13.31 H new ATOM 0 HB3 LYS A 97 -2.499 12.450 14.516 1.00 13.31 H new ATOM 0 HG2 LYS A 97 -3.198 12.387 11.800 1.00 12.11 H new ATOM 0 HG3 LYS A 97 -3.686 13.982 12.337 1.00 12.11 H new ATOM 0 HD2 LYS A 97 -0.905 12.782 12.587 1.00 62.41 H new ATOM 0 HD3 LYS A 97 -1.408 13.992 11.423 1.00 62.41 H new ATOM 0 HE2 LYS A 97 -1.543 14.474 14.411 1.00 25.22 H new ATOM 0 HE3 LYS A 97 -0.091 14.783 13.479 1.00 25.22 H new ATOM 0 HZ1 LYS A 97 -1.384 16.767 13.770 1.00 41.42 H new ATOM 0 HZ2 LYS A 97 -1.326 16.348 12.126 1.00 41.42 H new ATOM 0 HZ3 LYS A 97 -2.732 16.049 13.028 1.00 41.42 H new ATOM 1569 N ASP A 98 -5.035 10.878 11.698 1.00 2.34 N ATOM 1570 CA ASP A 98 -6.064 10.655 10.685 1.00 63.21 C ATOM 1571 C ASP A 98 -6.620 9.250 10.847 1.00 73.02 C ATOM 1572 O ASP A 98 -7.835 9.085 10.798 1.00 51.21 O ATOM 1573 CB ASP A 98 -5.562 10.841 9.247 1.00 70.42 C ATOM 1574 CG ASP A 98 -5.568 12.288 8.741 1.00 1.43 C ATOM 1575 OD1 ASP A 98 -6.518 13.053 9.030 1.00 72.22 O ATOM 1576 OD2 ASP A 98 -4.613 12.684 8.026 1.00 20.31 O ATOM 0 H ASP A 98 -4.084 10.877 11.330 1.00 2.34 H new ATOM 0 HA ASP A 98 -6.835 11.409 10.844 1.00 63.21 H new ATOM 0 HB2 ASP A 98 -4.546 10.453 9.180 1.00 70.42 H new ATOM 0 HB3 ASP A 98 -6.179 10.237 8.582 1.00 70.42 H new ATOM 1581 N GLY A 99 -5.763 8.261 11.122 1.00 33.34 N ATOM 1582 CA GLY A 99 -6.158 6.861 11.068 1.00 54.14 C ATOM 1583 C GLY A 99 -5.498 6.208 9.858 1.00 73.03 C ATOM 1584 O GLY A 99 -5.869 6.475 8.716 1.00 30.24 O ATOM 0 H GLY A 99 -4.789 8.412 11.385 1.00 33.34 H new ATOM 0 HA2 GLY A 99 -5.859 6.349 11.983 1.00 54.14 H new ATOM 0 HA3 GLY A 99 -7.242 6.778 10.997 1.00 54.14 H new ATOM 1588 N ASN A 100 -4.490 5.372 10.095 1.00 10.42 N ATOM 1589 CA ASN A 100 -3.855 4.517 9.092 1.00 4.25 C ATOM 1590 C ASN A 100 -3.974 3.058 9.569 1.00 42.52 C ATOM 1591 O ASN A 100 -4.886 2.738 10.329 1.00 2.45 O ATOM 1592 CB ASN A 100 -2.401 4.955 8.795 1.00 23.23 C ATOM 1593 CG ASN A 100 -2.134 6.458 8.747 1.00 30.42 C ATOM 1594 OD1 ASN A 100 -1.264 6.958 9.455 1.00 12.54 O ATOM 1595 ND2 ASN A 100 -2.857 7.200 7.928 1.00 32.13 N ATOM 0 H ASN A 100 -4.078 5.267 11.022 1.00 10.42 H new ATOM 0 HA ASN A 100 -4.366 4.613 8.134 1.00 4.25 H new ATOM 0 HB2 ASN A 100 -1.752 4.518 9.554 1.00 23.23 H new ATOM 0 HB3 ASN A 100 -2.105 4.526 7.838 1.00 23.23 H new ATOM 0 HD21 ASN A 100 -2.697 8.206 7.876 1.00 32.13 H new ATOM 0 HD22 ASN A 100 -3.575 6.767 7.347 1.00 32.13 H new ATOM 1602 N SER A 101 -3.122 2.144 9.096 1.00 3.32 N ATOM 1603 CA SER A 101 -2.990 0.769 9.593 1.00 64.00 C ATOM 1604 C SER A 101 -1.583 0.199 9.316 1.00 74.34 C ATOM 1605 O SER A 101 -1.025 0.326 8.224 1.00 41.14 O ATOM 1606 CB SER A 101 -4.048 -0.125 8.940 1.00 51.44 C ATOM 1607 OG SER A 101 -5.358 0.278 9.294 1.00 65.13 O ATOM 0 H SER A 101 -2.481 2.347 8.329 1.00 3.32 H new ATOM 0 HA SER A 101 -3.140 0.788 10.673 1.00 64.00 H new ATOM 0 HB2 SER A 101 -3.936 -0.091 7.856 1.00 51.44 H new ATOM 0 HB3 SER A 101 -3.890 -1.160 9.244 1.00 51.44 H new ATOM 0 HG SER A 101 -5.318 1.122 9.791 1.00 65.13 H new ATOM 1613 N ASP A 102 -1.022 -0.513 10.280 1.00 71.30 N ATOM 1614 CA ASP A 102 0.412 -0.721 10.514 1.00 13.10 C ATOM 1615 C ASP A 102 0.883 -2.145 10.161 1.00 21.44 C ATOM 1616 O ASP A 102 1.717 -2.738 10.849 1.00 24.30 O ATOM 1617 CB ASP A 102 0.703 -0.340 11.980 1.00 33.14 C ATOM 1618 CG ASP A 102 0.064 -1.317 12.988 1.00 63.02 C ATOM 1619 OD1 ASP A 102 -1.164 -1.230 13.210 1.00 11.32 O ATOM 1620 OD2 ASP A 102 0.752 -2.220 13.520 1.00 21.40 O ATOM 0 H ASP A 102 -1.591 -0.999 10.973 1.00 71.30 H new ATOM 0 HA ASP A 102 0.988 -0.082 9.844 1.00 13.10 H new ATOM 0 HB2 ASP A 102 1.781 -0.316 12.137 1.00 33.14 H new ATOM 0 HB3 ASP A 102 0.331 0.667 12.170 1.00 33.14 H new ATOM 1625 N LYS A 103 0.352 -2.707 9.073 1.00 65.22 N ATOM 1626 CA LYS A 103 0.397 -4.155 8.754 1.00 63.01 C ATOM 1627 C LYS A 103 1.779 -4.607 8.248 1.00 31.02 C ATOM 1628 O LYS A 103 2.726 -3.825 8.366 1.00 33.41 O ATOM 1629 CB LYS A 103 -0.749 -4.506 7.784 1.00 71.42 C ATOM 1630 CG LYS A 103 -0.865 -3.598 6.551 1.00 1.20 C ATOM 1631 CD LYS A 103 -2.049 -2.625 6.734 1.00 10.45 C ATOM 1632 CE LYS A 103 -2.360 -1.661 5.579 1.00 71.32 C ATOM 1633 NZ LYS A 103 -1.505 -0.460 5.550 1.00 62.33 N ATOM 0 H LYS A 103 -0.137 -2.161 8.363 1.00 65.22 H new ATOM 0 HA LYS A 103 0.243 -4.719 9.674 1.00 63.01 H new ATOM 0 HB2 LYS A 103 -0.616 -5.534 7.447 1.00 71.42 H new ATOM 0 HB3 LYS A 103 -1.691 -4.470 8.332 1.00 71.42 H new ATOM 0 HG2 LYS A 103 0.060 -3.039 6.410 1.00 1.20 H new ATOM 0 HG3 LYS A 103 -1.012 -4.201 5.655 1.00 1.20 H new ATOM 0 HD2 LYS A 103 -2.944 -3.217 6.928 1.00 10.45 H new ATOM 0 HD3 LYS A 103 -1.860 -2.030 7.627 1.00 10.45 H new ATOM 0 HE2 LYS A 103 -2.250 -2.195 4.635 1.00 71.32 H new ATOM 0 HE3 LYS A 103 -3.402 -1.350 5.650 1.00 71.32 H new ATOM 0 HZ1 LYS A 103 -2.072 0.363 5.263 1.00 62.33 H new ATOM 0 HZ2 LYS A 103 -1.108 -0.294 6.497 1.00 62.33 H new ATOM 0 HZ3 LYS A 103 -0.731 -0.601 4.870 1.00 62.33 H new ATOM 1647 N ARG A 104 1.959 -5.784 7.628 1.00 23.22 N ATOM 1648 CA ARG A 104 3.109 -5.998 6.733 1.00 21.42 C ATOM 1649 C ARG A 104 2.683 -6.757 5.480 1.00 51.14 C ATOM 1650 O ARG A 104 2.360 -7.944 5.532 1.00 42.43 O ATOM 1651 CB ARG A 104 4.287 -6.743 7.403 1.00 72.35 C ATOM 1652 CG ARG A 104 4.980 -6.039 8.578 1.00 61.15 C ATOM 1653 CD ARG A 104 4.335 -6.349 9.933 1.00 22.00 C ATOM 1654 NE ARG A 104 4.740 -7.664 10.457 1.00 13.43 N ATOM 1655 CZ ARG A 104 4.307 -8.184 11.612 1.00 45.41 C ATOM 1656 NH1 ARG A 104 3.349 -7.595 12.323 1.00 72.45 N ATOM 1657 NH2 ARG A 104 4.861 -9.300 12.069 1.00 21.23 N ATOM 0 H ARG A 104 1.338 -6.587 7.726 1.00 23.22 H new ATOM 0 HA ARG A 104 3.465 -5.002 6.471 1.00 21.42 H new ATOM 0 HB2 ARG A 104 3.921 -7.708 7.754 1.00 72.35 H new ATOM 0 HB3 ARG A 104 5.038 -6.946 6.639 1.00 72.35 H new ATOM 0 HG2 ARG A 104 6.028 -6.338 8.605 1.00 61.15 H new ATOM 0 HG3 ARG A 104 4.960 -4.962 8.411 1.00 61.15 H new ATOM 0 HD2 ARG A 104 4.610 -5.575 10.649 1.00 22.00 H new ATOM 0 HD3 ARG A 104 3.250 -6.319 9.832 1.00 22.00 H new ATOM 0 HE ARG A 104 5.395 -8.216 9.903 1.00 13.43 H new ATOM 0 HH11 ARG A 104 2.927 -6.728 11.991 1.00 72.45 H new ATOM 0 HH12 ARG A 104 3.036 -8.011 13.200 1.00 72.45 H new ATOM 0 HH21 ARG A 104 5.608 -9.752 11.541 1.00 21.23 H new ATOM 0 HH22 ARG A 104 4.540 -9.706 12.948 1.00 21.23 H new ATOM 1671 N LEU A 105 2.674 -6.067 4.339 1.00 23.31 N ATOM 1672 CA LEU A 105 2.274 -6.648 3.062 1.00 63.41 C ATOM 1673 C LEU A 105 3.401 -7.562 2.583 1.00 12.50 C ATOM 1674 O LEU A 105 4.577 -7.191 2.633 1.00 64.04 O ATOM 1675 CB LEU A 105 1.927 -5.576 2.017 1.00 33.04 C ATOM 1676 CG LEU A 105 0.651 -4.775 2.352 1.00 71.34 C ATOM 1677 CD1 LEU A 105 0.871 -3.749 3.460 1.00 44.32 C ATOM 1678 CD2 LEU A 105 0.099 -4.066 1.116 1.00 44.34 C ATOM 0 H LEU A 105 2.945 -5.086 4.277 1.00 23.31 H new ATOM 0 HA LEU A 105 1.360 -7.227 3.199 1.00 63.41 H new ATOM 0 HB2 LEU A 105 2.765 -4.886 1.925 1.00 33.04 H new ATOM 0 HB3 LEU A 105 1.801 -6.055 1.046 1.00 33.04 H new ATOM 0 HG LEU A 105 -0.073 -5.508 2.708 1.00 71.34 H new ATOM 0 HD11 LEU A 105 -0.060 -3.216 3.653 1.00 44.32 H new ATOM 0 HD12 LEU A 105 1.192 -4.258 4.369 1.00 44.32 H new ATOM 0 HD13 LEU A 105 1.638 -3.039 3.151 1.00 44.32 H new ATOM 0 HD21 LEU A 105 -0.799 -3.511 1.386 1.00 44.34 H new ATOM 0 HD22 LEU A 105 0.848 -3.377 0.727 1.00 44.34 H new ATOM 0 HD23 LEU A 105 -0.146 -4.804 0.352 1.00 44.34 H new ATOM 1690 N GLU A 106 3.032 -8.740 2.089 1.00 25.32 N ATOM 1691 CA GLU A 106 3.932 -9.853 1.771 1.00 72.32 C ATOM 1692 C GLU A 106 3.628 -10.331 0.355 1.00 30.34 C ATOM 1693 O GLU A 106 3.163 -11.447 0.119 1.00 52.23 O ATOM 1694 CB GLU A 106 3.871 -10.955 2.839 1.00 74.24 C ATOM 1695 CG GLU A 106 2.434 -11.318 3.242 1.00 11.13 C ATOM 1696 CD GLU A 106 2.411 -12.464 4.256 1.00 63.12 C ATOM 1697 OE1 GLU A 106 3.068 -12.321 5.312 1.00 54.31 O ATOM 1698 OE2 GLU A 106 1.781 -13.519 3.996 1.00 25.41 O ATOM 0 H GLU A 106 2.056 -8.958 1.889 1.00 25.32 H new ATOM 0 HA GLU A 106 4.970 -9.522 1.791 1.00 72.32 H new ATOM 0 HB2 GLU A 106 4.374 -11.846 2.463 1.00 74.24 H new ATOM 0 HB3 GLU A 106 4.419 -10.628 3.723 1.00 74.24 H new ATOM 0 HG2 GLU A 106 1.942 -10.444 3.668 1.00 11.13 H new ATOM 0 HG3 GLU A 106 1.867 -11.603 2.356 1.00 11.13 H new ATOM 1705 N LYS A 107 3.847 -9.399 -0.576 1.00 4.31 N ATOM 1706 CA LYS A 107 3.558 -9.522 -1.999 1.00 12.30 C ATOM 1707 C LYS A 107 2.179 -10.122 -2.245 1.00 53.32 C ATOM 1708 O LYS A 107 1.285 -9.970 -1.418 1.00 11.30 O ATOM 1709 CB LYS A 107 4.745 -10.214 -2.703 1.00 2.43 C ATOM 1710 CG LYS A 107 5.125 -9.533 -4.032 1.00 10.41 C ATOM 1711 CD LYS A 107 5.636 -8.091 -3.828 1.00 12.21 C ATOM 1712 CE LYS A 107 5.829 -7.287 -5.109 1.00 64.01 C ATOM 1713 NZ LYS A 107 6.943 -7.790 -5.946 1.00 21.32 N ATOM 0 H LYS A 107 4.252 -8.493 -0.341 1.00 4.31 H new ATOM 0 HA LYS A 107 3.477 -8.540 -2.465 1.00 12.30 H new ATOM 0 HB2 LYS A 107 5.609 -10.211 -2.038 1.00 2.43 H new ATOM 0 HB3 LYS A 107 4.492 -11.257 -2.893 1.00 2.43 H new ATOM 0 HG2 LYS A 107 5.895 -10.121 -4.532 1.00 10.41 H new ATOM 0 HG3 LYS A 107 4.257 -9.518 -4.691 1.00 10.41 H new ATOM 0 HD2 LYS A 107 4.933 -7.560 -3.186 1.00 12.21 H new ATOM 0 HD3 LYS A 107 6.586 -8.131 -3.295 1.00 12.21 H new ATOM 0 HE2 LYS A 107 4.906 -7.311 -5.689 1.00 64.01 H new ATOM 0 HE3 LYS A 107 6.017 -6.244 -4.852 1.00 64.01 H new ATOM 0 HZ1 LYS A 107 7.204 -7.068 -6.647 1.00 21.32 H new ATOM 0 HZ2 LYS A 107 7.764 -7.999 -5.342 1.00 21.32 H new ATOM 0 HZ3 LYS A 107 6.644 -8.657 -6.437 1.00 21.32 H new ATOM 1727 N TYR A 108 1.905 -10.584 -3.457 1.00 14.23 N ATOM 1728 CA TYR A 108 0.598 -11.113 -3.831 1.00 41.33 C ATOM 1729 C TYR A 108 0.757 -12.583 -4.170 1.00 63.31 C ATOM 1730 O TYR A 108 0.736 -12.963 -5.340 1.00 52.51 O ATOM 1731 CB TYR A 108 -0.013 -10.264 -4.947 1.00 71.21 C ATOM 1732 CG TYR A 108 -1.459 -10.588 -5.232 1.00 72.31 C ATOM 1733 CD1 TYR A 108 -2.412 -10.386 -4.220 1.00 50.55 C ATOM 1734 CD2 TYR A 108 -1.853 -11.113 -6.475 1.00 41.54 C ATOM 1735 CE1 TYR A 108 -3.757 -10.706 -4.448 1.00 33.44 C ATOM 1736 CE2 TYR A 108 -3.202 -11.428 -6.711 1.00 65.11 C ATOM 1737 CZ TYR A 108 -4.164 -11.210 -5.700 1.00 33.21 C ATOM 1738 OH TYR A 108 -5.479 -11.470 -5.916 1.00 34.34 O ATOM 0 H TYR A 108 2.587 -10.603 -4.215 1.00 14.23 H new ATOM 0 HA TYR A 108 -0.113 -11.052 -3.007 1.00 41.33 H new ATOM 0 HB2 TYR A 108 0.068 -9.211 -4.676 1.00 71.21 H new ATOM 0 HB3 TYR A 108 0.568 -10.405 -5.858 1.00 71.21 H new ATOM 0 HD1 TYR A 108 -2.108 -9.984 -3.265 1.00 50.55 H new ATOM 0 HD2 TYR A 108 -1.118 -11.274 -7.250 1.00 41.54 H new ATOM 0 HE1 TYR A 108 -4.484 -10.566 -3.662 1.00 33.44 H new ATOM 0 HE2 TYR A 108 -3.503 -11.836 -7.664 1.00 65.11 H new ATOM 0 HH TYR A 108 -5.600 -11.811 -6.827 1.00 34.34 H new ATOM 1748 N ASN A 109 0.984 -13.379 -3.123 1.00 42.35 N ATOM 1749 CA ASN A 109 1.443 -14.771 -3.159 1.00 64.11 C ATOM 1750 C ASN A 109 2.577 -14.933 -4.181 1.00 4.41 C ATOM 1751 O ASN A 109 2.420 -15.646 -5.177 1.00 2.21 O ATOM 1752 CB ASN A 109 0.275 -15.748 -3.378 1.00 3.13 C ATOM 1753 CG ASN A 109 0.772 -17.191 -3.364 1.00 32.31 C ATOM 1754 OD1 ASN A 109 1.478 -17.598 -2.444 1.00 73.45 O ATOM 1755 ND2 ASN A 109 0.408 -17.992 -4.350 1.00 32.43 N ATOM 0 H ASN A 109 0.844 -13.049 -2.168 1.00 42.35 H new ATOM 0 HA ASN A 109 1.858 -15.031 -2.185 1.00 64.11 H new ATOM 0 HB2 ASN A 109 -0.474 -15.608 -2.599 1.00 3.13 H new ATOM 0 HB3 ASN A 109 -0.211 -15.534 -4.330 1.00 3.13 H new ATOM 0 HD21 ASN A 109 0.713 -18.965 -4.356 1.00 32.43 H new ATOM 0 HD22 ASN A 109 -0.178 -17.637 -5.105 1.00 32.43 H new ATOM 1762 N ASP A 110 3.668 -14.180 -4.040 1.00 71.14 N ATOM 1763 CA ASP A 110 4.718 -14.066 -5.057 1.00 4.24 C ATOM 1764 C ASP A 110 6.057 -13.846 -4.363 1.00 12.53 C ATOM 1765 O ASP A 110 7.087 -13.728 -5.052 1.00 65.03 O ATOM 1766 CB ASP A 110 4.392 -12.929 -6.053 1.00 42.15 C ATOM 1767 CG ASP A 110 4.610 -13.298 -7.528 1.00 51.51 C ATOM 1768 OD1 ASP A 110 5.272 -14.297 -7.881 1.00 45.15 O ATOM 1769 OD2 ASP A 110 4.011 -12.619 -8.403 1.00 65.11 O ATOM 0 H ASP A 110 3.851 -13.624 -3.205 1.00 71.14 H new ATOM 0 HA ASP A 110 4.774 -14.987 -5.637 1.00 4.24 H new ATOM 0 HB2 ASP A 110 3.353 -12.628 -5.916 1.00 42.15 H new ATOM 0 HB3 ASP A 110 5.009 -12.063 -5.812 1.00 42.15 H new TER 1774 ASP A 110