USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 594 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 31 SER OG : rot 130:sc= -1.57! USER MOD Set 1.2: A 33 THR OG1 : rot 111:sc= 1.25 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 4 GLN : amide:sc= 0.0127 K(o=0.013,f=-0.51) USER MOD Single : A 16 ASN : amide:sc= -9.48! C(o=-9.5!,f=-7.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -158:sc= -4.38! (180deg=-5.2!) USER MOD Single : A 57 LYS NZ :NH3+ -122:sc= 1.21 (180deg=0.119) USER MOD Single : A 64 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000265) USER MOD Single : A 65 ASN : amide:sc= -0.905 X(o=-0.91,f=-1.2) USER MOD Single : A 67 LYS NZ :NH3+ -129:sc= 1.37 (180deg=0.598) USER MOD Single : A 68 THR OG1 : rot -55:sc= 0.997 USER MOD Single : A 73 THR OG1 : rot 83:sc= 0.469 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -23:sc= -1.88! USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 80 GLN : amide:sc= -3.27! C(o=-3.3!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 10.188 -8.653 0.432 1.00 0.54 N ATOM 24 CA THR A 3 9.917 -8.542 -0.988 1.00 0.48 C ATOM 25 C THR A 3 8.413 -8.392 -1.255 1.00 0.35 C ATOM 26 O THR A 3 7.622 -8.404 -0.328 1.00 0.35 O ATOM 27 CB THR A 3 10.545 -9.729 -1.799 1.00 0.59 C ATOM 28 OG1 THR A 3 10.413 -9.512 -3.221 1.00 0.66 O ATOM 29 CG2 THR A 3 9.907 -11.065 -1.416 1.00 0.66 C ATOM 0 HA THR A 3 10.402 -7.633 -1.344 1.00 0.48 H new ATOM 0 HB THR A 3 11.605 -9.768 -1.546 1.00 0.59 H new ATOM 0 HG1 THR A 3 10.813 -10.264 -3.705 1.00 0.66 H new ATOM 0 HG21 THR A 3 10.365 -11.866 -1.996 1.00 0.66 H new ATOM 0 HG22 THR A 3 10.063 -11.251 -0.353 1.00 0.66 H new ATOM 0 HG23 THR A 3 8.838 -11.031 -1.625 1.00 0.66 H new ATOM 37 N GLN A 4 8.038 -8.287 -2.519 1.00 0.32 N ATOM 38 CA GLN A 4 6.644 -8.099 -2.955 1.00 0.28 C ATOM 39 C GLN A 4 5.684 -9.081 -2.330 1.00 0.27 C ATOM 40 O GLN A 4 4.612 -8.675 -1.864 1.00 0.26 O ATOM 41 CB GLN A 4 6.538 -8.113 -4.490 1.00 0.33 C ATOM 42 CG GLN A 4 5.113 -8.019 -5.079 1.00 0.37 C ATOM 43 CD GLN A 4 4.401 -9.364 -5.258 1.00 0.39 C ATOM 44 OE1 GLN A 4 4.566 -10.014 -6.279 1.00 0.74 O ATOM 45 NE2 GLN A 4 3.565 -9.749 -4.321 1.00 0.48 N ATOM 0 H GLN A 4 8.699 -8.330 -3.294 1.00 0.32 H new ATOM 0 HA GLN A 4 6.342 -7.115 -2.596 1.00 0.28 H new ATOM 0 HB2 GLN A 4 7.125 -7.282 -4.881 1.00 0.33 H new ATOM 0 HB3 GLN A 4 7.000 -9.030 -4.856 1.00 0.33 H new ATOM 0 HG2 GLN A 4 4.508 -7.387 -4.429 1.00 0.37 H new ATOM 0 HG3 GLN A 4 5.167 -7.521 -6.047 1.00 0.37 H new ATOM 0 HE21 GLN A 4 3.448 -9.185 -3.479 1.00 0.48 H new ATOM 0 HE22 GLN A 4 3.033 -10.612 -4.435 1.00 0.48 H new ATOM 54 N GLU A 5 6.035 -10.355 -2.329 1.00 0.33 N ATOM 55 CA GLU A 5 5.177 -11.380 -1.743 1.00 0.40 C ATOM 56 C GLU A 5 4.961 -11.147 -0.257 1.00 0.39 C ATOM 57 O GLU A 5 3.956 -11.562 0.304 1.00 0.55 O ATOM 58 CB GLU A 5 5.711 -12.783 -2.026 1.00 0.57 C ATOM 59 CG GLU A 5 5.621 -13.185 -3.490 1.00 0.85 C ATOM 60 CD GLU A 5 4.192 -13.383 -3.976 1.00 1.88 C ATOM 61 OE1 GLU A 5 3.414 -12.418 -3.953 1.00 2.66 O ATOM 62 OE2 GLU A 5 3.819 -14.502 -4.392 1.00 2.37 O ATOM 0 H GLU A 5 6.906 -10.708 -2.726 1.00 0.33 H new ATOM 0 HA GLU A 5 4.201 -11.303 -2.223 1.00 0.40 H new ATOM 0 HB2 GLU A 5 6.752 -12.838 -1.706 1.00 0.57 H new ATOM 0 HB3 GLU A 5 5.154 -13.502 -1.425 1.00 0.57 H new ATOM 0 HG2 GLU A 5 6.101 -12.420 -4.099 1.00 0.85 H new ATOM 0 HG3 GLU A 5 6.179 -14.109 -3.640 1.00 0.85 H new ATOM 69 N GLU A 6 5.885 -10.464 0.365 1.00 0.36 N ATOM 70 CA GLU A 6 5.754 -10.131 1.743 1.00 0.42 C ATOM 71 C GLU A 6 4.985 -8.802 1.871 1.00 0.32 C ATOM 72 O GLU A 6 4.220 -8.598 2.825 1.00 0.37 O ATOM 73 CB GLU A 6 7.132 -10.014 2.398 1.00 0.55 C ATOM 74 CG GLU A 6 7.083 -10.116 3.906 1.00 0.82 C ATOM 75 CD GLU A 6 6.461 -11.427 4.353 1.00 1.75 C ATOM 76 OE1 GLU A 6 7.142 -12.470 4.312 1.00 2.73 O ATOM 77 OE2 GLU A 6 5.292 -11.427 4.801 1.00 2.05 O ATOM 0 H GLU A 6 6.742 -10.128 -0.074 1.00 0.36 H new ATOM 0 HA GLU A 6 5.202 -10.920 2.254 1.00 0.42 H new ATOM 0 HB2 GLU A 6 7.781 -10.798 2.008 1.00 0.55 H new ATOM 0 HB3 GLU A 6 7.581 -9.061 2.119 1.00 0.55 H new ATOM 0 HG2 GLU A 6 8.092 -10.034 4.311 1.00 0.82 H new ATOM 0 HG3 GLU A 6 6.508 -9.283 4.310 1.00 0.82 H new ATOM 84 N ILE A 7 5.148 -7.927 0.870 1.00 0.21 N ATOM 85 CA ILE A 7 4.556 -6.609 0.899 1.00 0.16 C ATOM 86 C ILE A 7 3.069 -6.692 0.641 1.00 0.14 C ATOM 87 O ILE A 7 2.302 -6.430 1.510 1.00 0.18 O ATOM 88 CB ILE A 7 5.225 -5.706 -0.163 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.691 -5.498 0.191 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.510 -4.358 -0.270 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.480 -4.804 -0.878 1.00 0.23 C ATOM 0 H ILE A 7 5.692 -8.123 0.029 1.00 0.21 H new ATOM 0 HA ILE A 7 4.715 -6.178 1.887 1.00 0.16 H new ATOM 0 HB ILE A 7 5.153 -6.201 -1.132 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.754 -4.917 1.111 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.147 -6.467 0.395 1.00 0.18 H new ATOM 0 HG21 ILE A 7 5.002 -3.744 -1.024 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.470 -4.519 -0.555 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.547 -3.849 0.693 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.514 -4.692 -0.552 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.450 -5.394 -1.794 1.00 0.23 H new ATOM 0 HD13 ILE A 7 7.051 -3.820 -1.066 1.00 0.23 H new ATOM 103 N VAL A 8 2.690 -7.092 -0.539 1.00 0.13 N ATOM 104 CA VAL A 8 1.279 -7.211 -0.916 1.00 0.15 C ATOM 105 C VAL A 8 0.489 -8.066 0.062 1.00 0.18 C ATOM 106 O VAL A 8 -0.627 -7.702 0.425 1.00 0.25 O ATOM 107 CB VAL A 8 1.126 -7.738 -2.356 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.333 -7.862 -2.768 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.848 -6.841 -3.312 1.00 0.17 C ATOM 0 H VAL A 8 3.340 -7.350 -1.281 1.00 0.13 H new ATOM 0 HA VAL A 8 0.859 -6.206 -0.875 1.00 0.15 H new ATOM 0 HB VAL A 8 1.564 -8.736 -2.385 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.392 -8.237 -3.790 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.843 -8.554 -2.098 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.811 -6.884 -2.712 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.733 -7.223 -4.326 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.431 -5.836 -3.253 1.00 0.17 H new ATOM 0 HG23 VAL A 8 2.906 -6.810 -3.053 1.00 0.17 H new ATOM 119 N ALA A 9 1.074 -9.155 0.521 1.00 0.18 N ATOM 120 CA ALA A 9 0.397 -10.000 1.476 1.00 0.22 C ATOM 121 C ALA A 9 0.126 -9.236 2.776 1.00 0.21 C ATOM 122 O ALA A 9 -0.972 -9.289 3.321 1.00 0.27 O ATOM 123 CB ALA A 9 1.188 -11.255 1.749 1.00 0.26 C ATOM 0 H ALA A 9 2.006 -9.470 0.250 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.560 -10.295 1.045 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.654 -11.872 2.472 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.317 -11.813 0.821 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.165 -10.989 2.152 1.00 0.26 H new ATOM 129 N GLY A 10 1.107 -8.449 3.198 1.00 0.18 N ATOM 130 CA GLY A 10 1.000 -7.708 4.416 1.00 0.18 C ATOM 131 C GLY A 10 0.164 -6.480 4.259 1.00 0.15 C ATOM 132 O GLY A 10 -0.566 -6.102 5.162 1.00 0.16 O ATOM 0 H GLY A 10 1.987 -8.317 2.699 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.567 -8.343 5.189 1.00 0.18 H new ATOM 0 HA3 GLY A 10 1.996 -7.426 4.756 1.00 0.18 H new ATOM 136 N LEU A 11 0.259 -5.878 3.101 1.00 0.14 N ATOM 137 CA LEU A 11 -0.449 -4.673 2.782 1.00 0.13 C ATOM 138 C LEU A 11 -1.919 -4.994 2.723 1.00 0.14 C ATOM 139 O LEU A 11 -2.746 -4.224 3.201 1.00 0.16 O ATOM 140 CB LEU A 11 0.041 -4.129 1.444 1.00 0.13 C ATOM 141 CG LEU A 11 0.165 -2.607 1.311 1.00 0.15 C ATOM 142 CD1 LEU A 11 0.709 -2.262 -0.061 1.00 0.18 C ATOM 143 CD2 LEU A 11 -1.169 -1.926 1.538 1.00 0.20 C ATOM 0 H LEU A 11 0.844 -6.222 2.340 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.273 -3.911 3.541 1.00 0.13 H new ATOM 0 HB2 LEU A 11 1.018 -4.567 1.238 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.637 -4.482 0.667 1.00 0.13 H new ATOM 0 HG LEU A 11 0.854 -2.246 2.075 1.00 0.15 H new ATOM 0 HD11 LEU A 11 0.797 -1.180 -0.156 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.690 -2.719 -0.189 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.031 -2.639 -0.827 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -1.049 -0.847 1.437 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.889 -2.281 0.801 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.530 -2.159 2.540 1.00 0.20 H new ATOM 155 N ALA A 12 -2.232 -6.163 2.163 1.00 0.12 N ATOM 156 CA ALA A 12 -3.580 -6.657 2.131 1.00 0.13 C ATOM 157 C ALA A 12 -4.114 -6.699 3.533 1.00 0.11 C ATOM 158 O ALA A 12 -5.153 -6.126 3.807 1.00 0.13 O ATOM 159 CB ALA A 12 -3.634 -8.041 1.520 1.00 0.14 C ATOM 0 H ALA A 12 -1.550 -6.781 1.724 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.188 -5.993 1.517 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.666 -8.393 1.507 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.251 -8.004 0.500 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -3.025 -8.724 2.112 1.00 0.14 H new ATOM 165 N GLU A 13 -3.340 -7.306 4.426 1.00 0.12 N ATOM 166 CA GLU A 13 -3.709 -7.450 5.825 1.00 0.13 C ATOM 167 C GLU A 13 -3.937 -6.121 6.508 1.00 0.15 C ATOM 168 O GLU A 13 -4.911 -5.959 7.244 1.00 0.19 O ATOM 169 CB GLU A 13 -2.711 -8.296 6.571 1.00 0.18 C ATOM 170 CG GLU A 13 -2.617 -9.703 6.048 1.00 0.23 C ATOM 171 CD GLU A 13 -1.757 -10.582 6.917 1.00 0.36 C ATOM 172 OE1 GLU A 13 -0.519 -10.481 6.870 1.00 0.52 O ATOM 173 OE2 GLU A 13 -2.336 -11.387 7.706 1.00 0.68 O ATOM 0 H GLU A 13 -2.434 -7.714 4.196 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.666 -7.971 5.844 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.729 -7.826 6.510 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -2.986 -8.325 7.625 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.617 -10.130 5.981 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.209 -9.686 5.037 1.00 0.23 H new ATOM 180 N ILE A 14 -3.075 -5.171 6.236 1.00 0.14 N ATOM 181 CA ILE A 14 -3.232 -3.802 6.749 1.00 0.17 C ATOM 182 C ILE A 14 -4.593 -3.242 6.332 1.00 0.18 C ATOM 183 O ILE A 14 -5.322 -2.675 7.137 1.00 0.22 O ATOM 184 CB ILE A 14 -2.121 -2.904 6.181 1.00 0.21 C ATOM 185 CG1 ILE A 14 -0.782 -3.380 6.696 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.346 -1.448 6.572 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.373 -2.909 5.894 1.00 0.25 C ATOM 0 H ILE A 14 -2.246 -5.308 5.658 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.166 -3.823 7.837 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.139 -2.967 5.093 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.659 -3.042 7.725 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -0.778 -4.470 6.715 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.547 -0.833 6.158 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.305 -1.110 6.179 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.347 -1.359 7.658 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.297 -3.292 6.327 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.276 -3.269 4.870 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.397 -1.819 5.895 1.00 0.25 H new ATOM 199 N VAL A 15 -4.956 -3.481 5.093 1.00 0.15 N ATOM 200 CA VAL A 15 -6.188 -2.975 4.535 1.00 0.17 C ATOM 201 C VAL A 15 -7.387 -3.672 5.184 1.00 0.18 C ATOM 202 O VAL A 15 -8.500 -3.117 5.272 1.00 0.22 O ATOM 203 CB VAL A 15 -6.224 -3.179 3.000 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.525 -2.742 2.435 1.00 0.27 C ATOM 205 CG2 VAL A 15 -5.125 -2.408 2.338 1.00 0.23 C ATOM 0 H VAL A 15 -4.401 -4.035 4.440 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.241 -1.906 4.741 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.089 -4.244 2.810 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.523 -2.896 1.356 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.330 -3.324 2.883 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.678 -1.685 2.650 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -5.168 -2.565 1.260 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -5.244 -1.346 2.555 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -4.162 -2.750 2.716 1.00 0.23 H new ATOM 215 N ASN A 16 -7.146 -4.860 5.669 1.00 0.16 N ATOM 216 CA ASN A 16 -8.191 -5.642 6.319 1.00 0.20 C ATOM 217 C ASN A 16 -8.449 -5.033 7.684 1.00 0.25 C ATOM 218 O ASN A 16 -9.589 -4.872 8.099 1.00 0.34 O ATOM 219 CB ASN A 16 -7.814 -7.143 6.512 1.00 0.20 C ATOM 220 CG ASN A 16 -7.194 -7.840 5.332 1.00 0.19 C ATOM 221 OD1 ASN A 16 -6.429 -8.779 5.486 1.00 0.21 O ATOM 222 ND2 ASN A 16 -7.506 -7.419 4.167 1.00 0.27 N ATOM 0 H ASN A 16 -6.236 -5.318 5.632 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.070 -5.615 5.675 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.123 -7.215 7.352 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.716 -7.687 6.794 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -7.114 -7.869 3.340 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -8.147 -6.633 4.064 1.00 0.27 H new ATOM 229 N GLU A 17 -7.369 -4.672 8.355 1.00 0.26 N ATOM 230 CA GLU A 17 -7.423 -4.095 9.691 1.00 0.35 C ATOM 231 C GLU A 17 -7.972 -2.669 9.662 1.00 0.38 C ATOM 232 O GLU A 17 -8.855 -2.315 10.444 1.00 0.47 O ATOM 233 CB GLU A 17 -6.026 -4.088 10.314 1.00 0.41 C ATOM 234 CG GLU A 17 -5.377 -5.454 10.394 1.00 0.46 C ATOM 235 CD GLU A 17 -3.992 -5.396 10.987 1.00 1.22 C ATOM 236 OE1 GLU A 17 -3.024 -5.168 10.241 1.00 2.07 O ATOM 237 OE2 GLU A 17 -3.839 -5.574 12.219 1.00 1.35 O ATOM 0 H GLU A 17 -6.423 -4.771 7.987 1.00 0.26 H new ATOM 0 HA GLU A 17 -8.094 -4.709 10.291 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -5.384 -3.426 9.733 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -6.090 -3.669 11.318 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -6.000 -6.115 10.996 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -5.324 -5.888 9.395 1.00 0.46 H new ATOM 244 N ILE A 18 -7.442 -1.866 8.760 1.00 0.32 N ATOM 245 CA ILE A 18 -7.825 -0.465 8.638 1.00 0.38 C ATOM 246 C ILE A 18 -9.276 -0.323 8.159 1.00 0.39 C ATOM 247 O ILE A 18 -10.084 0.353 8.805 1.00 0.43 O ATOM 248 CB ILE A 18 -6.882 0.259 7.634 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.422 0.228 8.130 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.336 1.699 7.392 1.00 0.65 C ATOM 251 CD1 ILE A 18 -5.128 1.081 9.350 1.00 0.58 C ATOM 0 H ILE A 18 -6.733 -2.162 8.089 1.00 0.32 H new ATOM 0 HA ILE A 18 -7.738 -0.009 9.624 1.00 0.38 H new ATOM 0 HB ILE A 18 -6.933 -0.276 6.686 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -5.156 -0.804 8.357 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -4.773 0.553 7.316 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.659 2.180 6.687 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.346 1.698 6.982 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -7.327 2.246 8.334 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -4.075 0.987 9.614 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -5.355 2.124 9.128 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -5.743 0.746 10.185 1.00 0.58 H new ATOM 263 N ALA A 19 -9.610 -0.964 7.059 1.00 0.39 N ATOM 264 CA ALA A 19 -10.928 -0.799 6.482 1.00 0.44 C ATOM 265 C ALA A 19 -11.754 -2.072 6.593 1.00 0.41 C ATOM 266 O ALA A 19 -12.616 -2.193 7.478 1.00 0.54 O ATOM 267 CB ALA A 19 -10.828 -0.317 5.037 1.00 0.48 C ATOM 0 H ALA A 19 -8.994 -1.598 6.550 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.450 -0.033 7.055 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.829 -0.200 4.622 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -10.309 0.641 5.008 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -10.275 -1.048 4.447 1.00 0.48 H new ATOM 273 N GLY A 20 -11.491 -3.019 5.726 1.00 0.34 N ATOM 274 CA GLY A 20 -12.225 -4.254 5.763 1.00 0.33 C ATOM 275 C GLY A 20 -12.158 -5.013 4.469 1.00 0.32 C ATOM 276 O GLY A 20 -13.171 -5.526 3.981 1.00 0.43 O ATOM 0 H GLY A 20 -10.782 -2.958 4.995 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.834 -4.879 6.566 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.268 -4.044 6.002 1.00 0.33 H new ATOM 280 N ILE A 21 -10.984 -5.073 3.892 1.00 0.27 N ATOM 281 CA ILE A 21 -10.780 -5.871 2.702 1.00 0.26 C ATOM 282 C ILE A 21 -10.626 -7.328 3.103 1.00 0.25 C ATOM 283 O ILE A 21 -10.195 -7.610 4.199 1.00 0.24 O ATOM 284 CB ILE A 21 -9.572 -5.347 1.841 1.00 0.25 C ATOM 285 CG1 ILE A 21 -10.054 -4.416 0.713 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.646 -6.447 1.303 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.772 -3.169 1.178 1.00 0.29 C ATOM 0 H ILE A 21 -10.154 -4.581 4.224 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.653 -5.781 2.056 1.00 0.26 H new ATOM 0 HB ILE A 21 -8.955 -4.773 2.532 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.193 -4.120 0.114 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.720 -4.978 0.058 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -7.843 -5.994 0.722 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.221 -7.005 2.137 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -9.216 -7.124 0.667 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -11.072 -2.578 0.313 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.656 -3.450 1.750 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.106 -2.579 1.807 1.00 0.29 H new ATOM 299 N PRO A 22 -10.997 -8.250 2.246 1.00 0.29 N ATOM 300 CA PRO A 22 -10.937 -9.686 2.524 1.00 0.35 C ATOM 301 C PRO A 22 -9.600 -10.325 2.127 1.00 0.45 C ATOM 302 O PRO A 22 -9.588 -11.443 1.646 1.00 1.08 O ATOM 303 CB PRO A 22 -12.020 -10.227 1.589 1.00 0.37 C ATOM 304 CG PRO A 22 -12.655 -9.033 0.951 1.00 0.44 C ATOM 305 CD PRO A 22 -11.606 -8.006 0.949 1.00 0.34 C ATOM 0 HA PRO A 22 -11.060 -9.897 3.586 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.590 -10.888 0.836 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.756 -10.810 2.142 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -12.991 -9.257 -0.061 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.530 -8.704 1.511 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -10.900 -8.135 0.128 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.012 -6.998 0.864 1.00 0.34 H new ATOM 313 N VAL A 23 -8.497 -9.601 2.330 1.00 0.39 N ATOM 314 CA VAL A 23 -7.069 -10.001 2.004 1.00 0.32 C ATOM 315 C VAL A 23 -6.789 -10.404 0.508 1.00 0.42 C ATOM 316 O VAL A 23 -5.674 -10.272 0.020 1.00 0.81 O ATOM 317 CB VAL A 23 -6.444 -11.046 3.026 1.00 0.31 C ATOM 318 CG1 VAL A 23 -7.007 -12.455 2.881 1.00 0.41 C ATOM 319 CG2 VAL A 23 -4.921 -11.062 2.980 1.00 0.33 C ATOM 0 H VAL A 23 -8.545 -8.670 2.745 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.534 -9.061 2.138 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.748 -10.690 4.011 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.534 -13.113 3.610 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -8.083 -12.436 3.053 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.807 -12.825 1.875 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.543 -11.792 3.696 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.590 -11.333 1.977 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.539 -10.073 3.234 1.00 0.33 H new ATOM 329 N GLU A 24 -7.806 -10.801 -0.200 1.00 0.33 N ATOM 330 CA GLU A 24 -7.699 -11.258 -1.582 1.00 0.40 C ATOM 331 C GLU A 24 -7.826 -10.121 -2.560 1.00 0.34 C ATOM 332 O GLU A 24 -7.339 -10.190 -3.683 1.00 0.44 O ATOM 333 CB GLU A 24 -8.816 -12.247 -1.852 1.00 0.57 C ATOM 334 CG GLU A 24 -8.708 -13.525 -1.070 1.00 1.36 C ATOM 335 CD GLU A 24 -7.554 -14.353 -1.516 1.00 1.86 C ATOM 336 OE1 GLU A 24 -7.640 -15.010 -2.562 1.00 2.20 O ATOM 337 OE2 GLU A 24 -6.536 -14.382 -0.806 1.00 2.31 O ATOM 0 H GLU A 24 -8.759 -10.822 0.162 1.00 0.33 H new ATOM 0 HA GLU A 24 -6.718 -11.715 -1.713 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -9.770 -11.773 -1.622 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -8.827 -12.485 -2.916 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -8.601 -13.294 -0.010 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -9.629 -14.097 -1.180 1.00 1.36 H new ATOM 344 N ASP A 25 -8.447 -9.062 -2.119 1.00 0.28 N ATOM 345 CA ASP A 25 -8.791 -7.965 -3.011 1.00 0.29 C ATOM 346 C ASP A 25 -7.562 -7.160 -3.357 1.00 0.25 C ATOM 347 O ASP A 25 -7.406 -6.675 -4.469 1.00 0.28 O ATOM 348 CB ASP A 25 -9.815 -7.066 -2.346 1.00 0.35 C ATOM 349 CG ASP A 25 -10.588 -6.231 -3.343 1.00 0.94 C ATOM 350 OD1 ASP A 25 -11.460 -6.743 -4.003 1.00 1.59 O ATOM 351 OD2 ASP A 25 -10.293 -5.025 -3.494 1.00 1.57 O ATOM 0 H ASP A 25 -8.730 -8.926 -1.148 1.00 0.28 H new ATOM 0 HA ASP A 25 -9.209 -8.380 -3.928 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -10.511 -7.677 -1.772 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.311 -6.407 -1.639 1.00 0.35 H new ATOM 356 N VAL A 26 -6.665 -7.092 -2.411 1.00 0.23 N ATOM 357 CA VAL A 26 -5.459 -6.277 -2.547 1.00 0.22 C ATOM 358 C VAL A 26 -4.409 -6.985 -3.410 1.00 0.25 C ATOM 359 O VAL A 26 -3.663 -7.846 -2.927 1.00 0.30 O ATOM 360 CB VAL A 26 -4.848 -5.942 -1.165 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.719 -4.956 -1.301 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.888 -5.383 -0.236 1.00 0.27 C ATOM 0 H VAL A 26 -6.736 -7.591 -1.525 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.754 -5.348 -3.036 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.462 -6.871 -0.747 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.307 -4.737 -0.316 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.940 -5.380 -1.935 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -4.092 -4.036 -1.751 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.431 -5.157 0.727 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.305 -4.471 -0.663 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.683 -6.115 -0.097 1.00 0.27 H new ATOM 372 N LYS A 27 -4.414 -6.677 -4.686 1.00 0.28 N ATOM 373 CA LYS A 27 -3.469 -7.225 -5.626 1.00 0.35 C ATOM 374 C LYS A 27 -2.767 -6.080 -6.315 1.00 0.37 C ATOM 375 O LYS A 27 -3.275 -4.962 -6.311 1.00 0.72 O ATOM 376 CB LYS A 27 -4.191 -8.111 -6.661 1.00 0.40 C ATOM 377 CG LYS A 27 -3.842 -9.594 -6.574 1.00 0.83 C ATOM 378 CD LYS A 27 -4.189 -10.191 -5.219 1.00 1.13 C ATOM 379 CE LYS A 27 -3.672 -11.614 -5.104 1.00 1.15 C ATOM 380 NZ LYS A 27 -3.960 -12.206 -3.795 1.00 1.58 N ATOM 0 H LYS A 27 -5.083 -6.031 -5.104 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.743 -7.847 -5.102 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -5.267 -7.995 -6.532 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -3.949 -7.751 -7.661 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -4.375 -10.137 -7.355 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -2.777 -9.726 -6.764 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -3.759 -9.579 -4.427 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -5.270 -10.180 -5.079 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -4.123 -12.226 -5.885 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -2.596 -11.622 -5.275 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -3.588 -13.177 -3.764 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -3.508 -11.638 -3.050 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -4.988 -12.224 -3.641 1.00 1.58 H new ATOM 394 N LEU A 28 -1.606 -6.331 -6.868 1.00 0.24 N ATOM 395 CA LEU A 28 -0.846 -5.331 -7.597 1.00 0.22 C ATOM 396 C LEU A 28 -1.693 -4.729 -8.702 1.00 0.23 C ATOM 397 O LEU A 28 -2.505 -5.425 -9.325 1.00 0.31 O ATOM 398 CB LEU A 28 0.396 -5.968 -8.226 1.00 0.27 C ATOM 399 CG LEU A 28 1.458 -6.526 -7.285 1.00 0.43 C ATOM 400 CD1 LEU A 28 2.493 -7.302 -8.078 1.00 1.05 C ATOM 401 CD2 LEU A 28 2.132 -5.402 -6.541 1.00 1.05 C ATOM 0 H LEU A 28 -1.152 -7.244 -6.827 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.548 -4.552 -6.895 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.065 -6.778 -8.877 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.870 -5.221 -8.863 1.00 0.27 H new ATOM 0 HG LEU A 28 0.978 -7.192 -6.568 1.00 0.43 H new ATOM 0 HD11 LEU A 28 3.249 -7.698 -7.400 1.00 1.05 H new ATOM 0 HD12 LEU A 28 2.008 -8.126 -8.601 1.00 1.05 H new ATOM 0 HD13 LEU A 28 2.967 -6.640 -8.803 1.00 1.05 H new ATOM 0 HD21 LEU A 28 2.889 -5.811 -5.872 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.605 -4.726 -7.253 1.00 1.05 H new ATOM 0 HD23 LEU A 28 1.390 -4.855 -5.959 1.00 1.05 H new ATOM 413 N ASP A 29 -1.523 -3.428 -8.873 1.00 0.24 N ATOM 414 CA ASP A 29 -2.171 -2.613 -9.916 1.00 0.31 C ATOM 415 C ASP A 29 -3.623 -2.315 -9.554 1.00 0.28 C ATOM 416 O ASP A 29 -4.392 -1.753 -10.332 1.00 0.38 O ATOM 417 CB ASP A 29 -2.035 -3.252 -11.300 1.00 0.42 C ATOM 418 CG ASP A 29 -2.413 -2.321 -12.435 1.00 0.60 C ATOM 419 OD1 ASP A 29 -1.712 -1.302 -12.637 1.00 0.72 O ATOM 420 OD2 ASP A 29 -3.386 -2.610 -13.178 1.00 0.70 O ATOM 0 H ASP A 29 -0.908 -2.879 -8.272 1.00 0.24 H new ATOM 0 HA ASP A 29 -1.649 -1.657 -9.966 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -1.006 -3.583 -11.439 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -2.664 -4.141 -11.345 1.00 0.42 H new ATOM 425 N LYS A 30 -3.972 -2.627 -8.330 1.00 0.19 N ATOM 426 CA LYS A 30 -5.278 -2.315 -7.831 1.00 0.20 C ATOM 427 C LYS A 30 -5.203 -1.099 -7.002 1.00 0.20 C ATOM 428 O LYS A 30 -4.380 -1.005 -6.104 1.00 0.24 O ATOM 429 CB LYS A 30 -5.846 -3.367 -6.943 1.00 0.28 C ATOM 430 CG LYS A 30 -6.196 -4.695 -7.554 1.00 0.36 C ATOM 431 CD LYS A 30 -7.440 -4.606 -8.403 1.00 0.45 C ATOM 432 CE LYS A 30 -7.871 -5.980 -8.858 1.00 0.79 C ATOM 433 NZ LYS A 30 -9.118 -5.943 -9.649 1.00 1.48 N ATOM 0 H LYS A 30 -3.363 -3.099 -7.662 1.00 0.19 H new ATOM 0 HA LYS A 30 -5.910 -2.207 -8.712 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -5.131 -3.547 -6.140 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.748 -2.964 -6.482 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.363 -5.046 -8.163 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.346 -5.431 -6.764 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.243 -4.137 -7.834 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -7.251 -3.972 -9.270 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -7.077 -6.428 -9.456 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -8.014 -6.620 -7.988 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -9.374 -6.908 -9.939 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -9.884 -5.540 -9.072 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -8.976 -5.354 -10.494 1.00 1.48 H new ATOM 447 N SER A 31 -6.027 -0.213 -7.290 1.00 0.20 N ATOM 448 CA SER A 31 -6.155 1.014 -6.571 1.00 0.34 C ATOM 449 C SER A 31 -6.849 0.766 -5.247 1.00 0.53 C ATOM 450 O SER A 31 -7.935 0.274 -5.216 1.00 1.25 O ATOM 451 CB SER A 31 -6.936 2.025 -7.394 1.00 0.36 C ATOM 452 OG SER A 31 -7.203 3.179 -6.637 1.00 0.86 O ATOM 0 H SER A 31 -6.680 -0.296 -8.069 1.00 0.20 H new ATOM 0 HA SER A 31 -5.161 1.417 -6.378 1.00 0.34 H new ATOM 0 HB2 SER A 31 -6.369 2.292 -8.286 1.00 0.36 H new ATOM 0 HB3 SER A 31 -7.872 1.581 -7.733 1.00 0.36 H new ATOM 0 HG SER A 31 -6.941 3.973 -7.148 1.00 0.86 H new ATOM 458 N PHE A 32 -6.191 1.067 -4.185 1.00 0.29 N ATOM 459 CA PHE A 32 -6.712 0.926 -2.846 1.00 0.28 C ATOM 460 C PHE A 32 -8.092 1.605 -2.690 1.00 0.26 C ATOM 461 O PHE A 32 -9.067 0.965 -2.298 1.00 0.40 O ATOM 462 CB PHE A 32 -5.725 1.503 -1.854 1.00 0.40 C ATOM 463 CG PHE A 32 -4.342 0.923 -1.922 1.00 0.35 C ATOM 464 CD1 PHE A 32 -4.021 -0.218 -1.207 1.00 0.38 C ATOM 465 CD2 PHE A 32 -3.364 1.513 -2.695 1.00 0.35 C ATOM 466 CE1 PHE A 32 -2.757 -0.753 -1.270 1.00 0.40 C ATOM 467 CE2 PHE A 32 -2.104 0.980 -2.755 1.00 0.34 C ATOM 468 CZ PHE A 32 -1.794 -0.139 -2.051 1.00 0.36 C ATOM 0 H PHE A 32 -5.239 1.433 -4.211 1.00 0.29 H new ATOM 0 HA PHE A 32 -6.851 -0.137 -2.648 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.659 2.579 -2.014 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.116 1.354 -0.847 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -4.772 -0.693 -0.593 1.00 0.38 H new ATOM 0 HD2 PHE A 32 -3.594 2.405 -3.259 1.00 0.35 H new ATOM 0 HE1 PHE A 32 -2.517 -1.647 -0.714 1.00 0.40 H new ATOM 0 HE2 PHE A 32 -1.351 1.453 -3.367 1.00 0.34 H new ATOM 0 HZ PHE A 32 -0.796 -0.549 -2.101 1.00 0.36 H new ATOM 478 N THR A 33 -8.166 2.864 -3.000 1.00 0.28 N ATOM 479 CA THR A 33 -9.391 3.593 -2.945 1.00 0.36 C ATOM 480 C THR A 33 -10.394 3.101 -3.983 1.00 0.45 C ATOM 481 O THR A 33 -11.514 2.694 -3.670 1.00 1.06 O ATOM 482 CB THR A 33 -9.072 5.052 -3.263 1.00 0.61 C ATOM 483 OG1 THR A 33 -8.100 5.124 -4.340 1.00 1.01 O ATOM 484 CG2 THR A 33 -8.552 5.765 -2.069 1.00 0.78 C ATOM 0 H THR A 33 -7.365 3.419 -3.302 1.00 0.28 H new ATOM 0 HA THR A 33 -9.828 3.463 -1.955 1.00 0.36 H new ATOM 0 HB THR A 33 -9.997 5.538 -3.572 1.00 0.61 H new ATOM 0 HG1 THR A 33 -8.528 5.487 -5.143 1.00 1.01 H new ATOM 0 HG21 THR A 33 -8.335 6.801 -2.330 1.00 0.78 H new ATOM 0 HG22 THR A 33 -9.299 5.739 -1.276 1.00 0.78 H new ATOM 0 HG23 THR A 33 -7.640 5.279 -1.724 1.00 0.78 H new ATOM 492 N ASP A 34 -9.959 3.154 -5.195 1.00 0.32 N ATOM 493 CA ASP A 34 -10.787 3.013 -6.356 1.00 0.34 C ATOM 494 C ASP A 34 -11.095 1.579 -6.762 1.00 0.35 C ATOM 495 O ASP A 34 -12.215 1.266 -7.136 1.00 0.50 O ATOM 496 CB ASP A 34 -10.117 3.762 -7.476 1.00 0.38 C ATOM 497 CG ASP A 34 -10.190 5.250 -7.316 1.00 0.96 C ATOM 498 OD1 ASP A 34 -11.181 5.868 -7.774 1.00 1.04 O ATOM 499 OD2 ASP A 34 -9.260 5.846 -6.739 1.00 1.74 O ATOM 0 H ASP A 34 -8.975 3.303 -5.420 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.767 3.426 -6.116 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.071 3.460 -7.532 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -10.581 3.481 -8.421 1.00 0.38 H new ATOM 504 N ASP A 35 -10.121 0.726 -6.690 1.00 0.30 N ATOM 505 CA ASP A 35 -10.289 -0.677 -7.086 1.00 0.32 C ATOM 506 C ASP A 35 -10.688 -1.516 -5.927 1.00 0.35 C ATOM 507 O ASP A 35 -11.541 -2.391 -6.050 1.00 0.52 O ATOM 508 CB ASP A 35 -9.003 -1.276 -7.656 1.00 0.31 C ATOM 509 CG ASP A 35 -8.767 -1.020 -9.109 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.501 -1.583 -9.937 1.00 1.29 O ATOM 511 OD2 ASP A 35 -7.897 -0.195 -9.445 1.00 1.10 O ATOM 0 H ASP A 35 -9.185 0.960 -6.360 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.065 -0.676 -7.851 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.157 -0.881 -7.093 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.020 -2.353 -7.492 1.00 0.31 H new ATOM 516 N LEU A 36 -10.040 -1.293 -4.815 1.00 0.30 N ATOM 517 CA LEU A 36 -10.266 -2.076 -3.644 1.00 0.33 C ATOM 518 C LEU A 36 -11.567 -1.672 -2.981 1.00 0.39 C ATOM 519 O LEU A 36 -12.631 -2.182 -3.349 1.00 0.81 O ATOM 520 CB LEU A 36 -9.086 -1.984 -2.645 1.00 0.33 C ATOM 521 CG LEU A 36 -7.679 -2.290 -3.147 1.00 0.33 C ATOM 522 CD1 LEU A 36 -6.743 -2.440 -1.974 1.00 0.36 C ATOM 523 CD2 LEU A 36 -7.642 -3.509 -4.008 1.00 0.36 C ATOM 0 H LEU A 36 -9.340 -0.560 -4.702 1.00 0.30 H new ATOM 0 HA LEU A 36 -10.339 -3.118 -3.956 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.078 -0.975 -2.234 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.298 -2.663 -1.819 1.00 0.33 H new ATOM 0 HG LEU A 36 -7.355 -1.454 -3.767 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -5.738 -2.659 -2.336 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -6.728 -1.514 -1.400 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -7.085 -3.256 -1.338 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -6.620 -3.688 -4.342 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -7.993 -4.369 -3.437 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -8.287 -3.362 -4.875 1.00 0.36 H new ATOM 535 N ASP A 37 -11.476 -0.703 -2.066 1.00 0.35 N ATOM 536 CA ASP A 37 -12.624 -0.192 -1.265 1.00 0.45 C ATOM 537 C ASP A 37 -12.084 0.597 -0.061 1.00 0.39 C ATOM 538 O ASP A 37 -12.835 1.020 0.827 1.00 0.87 O ATOM 539 CB ASP A 37 -13.506 -1.369 -0.745 1.00 0.79 C ATOM 540 CG ASP A 37 -14.778 -0.939 -0.071 1.00 0.90 C ATOM 541 OD1 ASP A 37 -15.613 -0.277 -0.717 1.00 1.12 O ATOM 542 OD2 ASP A 37 -14.971 -1.270 1.117 1.00 0.99 O ATOM 0 H ASP A 37 -10.596 -0.236 -1.847 1.00 0.35 H new ATOM 0 HA ASP A 37 -13.235 0.449 -1.901 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -13.755 -2.019 -1.584 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -12.921 -1.964 -0.044 1.00 0.79 H new ATOM 547 N VAL A 38 -10.783 0.862 -0.075 1.00 0.38 N ATOM 548 CA VAL A 38 -10.117 1.458 1.062 1.00 0.37 C ATOM 549 C VAL A 38 -10.421 2.918 1.085 1.00 0.48 C ATOM 550 O VAL A 38 -10.145 3.632 0.114 1.00 0.79 O ATOM 551 CB VAL A 38 -8.590 1.295 0.984 1.00 0.40 C ATOM 552 CG1 VAL A 38 -7.948 1.675 2.313 1.00 0.50 C ATOM 553 CG2 VAL A 38 -8.209 -0.102 0.584 1.00 0.43 C ATOM 0 H VAL A 38 -10.171 0.670 -0.868 1.00 0.38 H new ATOM 0 HA VAL A 38 -10.476 0.955 1.960 1.00 0.37 H new ATOM 0 HB VAL A 38 -8.216 1.969 0.213 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -6.867 1.555 2.242 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -8.183 2.713 2.547 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -8.334 1.029 3.102 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.123 -0.184 0.538 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -8.595 -0.809 1.318 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -8.632 -0.328 -0.395 1.00 0.43 H new ATOM 563 N ASP A 39 -11.044 3.339 2.146 1.00 0.39 N ATOM 564 CA ASP A 39 -11.397 4.715 2.316 1.00 0.55 C ATOM 565 C ASP A 39 -10.170 5.615 2.266 1.00 0.67 C ATOM 566 O ASP A 39 -9.221 5.450 3.033 1.00 1.53 O ATOM 567 CB ASP A 39 -12.140 4.948 3.615 1.00 0.64 C ATOM 568 CG ASP A 39 -12.591 6.383 3.730 1.00 1.28 C ATOM 569 OD1 ASP A 39 -11.793 7.231 4.104 1.00 2.00 O ATOM 570 OD2 ASP A 39 -13.755 6.682 3.378 1.00 1.51 O ATOM 0 H ASP A 39 -11.322 2.735 2.919 1.00 0.39 H new ATOM 0 HA ASP A 39 -12.057 4.970 1.487 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -13.004 4.286 3.667 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -11.495 4.697 4.457 1.00 0.64 H new ATOM 575 N SER A 40 -10.219 6.509 1.326 1.00 0.45 N ATOM 576 CA SER A 40 -9.269 7.559 1.066 1.00 0.37 C ATOM 577 C SER A 40 -8.712 8.308 2.318 1.00 0.34 C ATOM 578 O SER A 40 -7.563 8.763 2.281 1.00 0.46 O ATOM 579 CB SER A 40 -9.965 8.502 0.158 1.00 0.51 C ATOM 580 OG SER A 40 -9.143 9.596 -0.208 1.00 0.78 O ATOM 0 H SER A 40 -10.991 6.528 0.660 1.00 0.45 H new ATOM 0 HA SER A 40 -8.373 7.111 0.637 1.00 0.37 H new ATOM 0 HB2 SER A 40 -10.283 7.972 -0.740 1.00 0.51 H new ATOM 0 HB3 SER A 40 -10.867 8.874 0.645 1.00 0.51 H new ATOM 0 HG SER A 40 -9.639 10.192 -0.807 1.00 0.78 H new ATOM 585 N LEU A 41 -9.462 8.452 3.403 1.00 0.32 N ATOM 586 CA LEU A 41 -8.887 9.150 4.550 1.00 0.36 C ATOM 587 C LEU A 41 -8.100 8.188 5.439 1.00 0.33 C ATOM 588 O LEU A 41 -7.073 8.550 6.016 1.00 0.41 O ATOM 589 CB LEU A 41 -9.921 10.027 5.329 1.00 0.51 C ATOM 590 CG LEU A 41 -11.127 9.351 6.012 1.00 0.65 C ATOM 591 CD1 LEU A 41 -10.752 8.651 7.310 1.00 1.15 C ATOM 592 CD2 LEU A 41 -12.221 10.354 6.252 1.00 1.18 C ATOM 0 H LEU A 41 -10.419 8.116 3.515 1.00 0.32 H new ATOM 0 HA LEU A 41 -8.172 9.874 4.160 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -9.373 10.572 6.098 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -10.313 10.767 4.631 1.00 0.51 H new ATOM 0 HG LEU A 41 -11.487 8.580 5.331 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -11.640 8.193 7.746 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -10.009 7.880 7.106 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -10.338 9.378 8.009 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -13.066 9.863 6.735 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -11.849 11.151 6.896 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -12.543 10.776 5.300 1.00 1.18 H new ATOM 604 N SER A 42 -8.547 6.947 5.486 1.00 0.31 N ATOM 605 CA SER A 42 -7.887 5.894 6.255 1.00 0.33 C ATOM 606 C SER A 42 -6.689 5.359 5.462 1.00 0.27 C ATOM 607 O SER A 42 -5.807 4.681 5.979 1.00 0.26 O ATOM 608 CB SER A 42 -8.889 4.773 6.478 1.00 0.45 C ATOM 609 OG SER A 42 -10.083 5.279 7.062 1.00 0.60 O ATOM 0 H SER A 42 -9.382 6.634 4.991 1.00 0.31 H new ATOM 0 HA SER A 42 -7.536 6.284 7.210 1.00 0.33 H new ATOM 0 HB2 SER A 42 -9.119 4.289 5.529 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.454 4.013 7.127 1.00 0.45 H new ATOM 0 HG SER A 42 -10.718 4.545 7.197 1.00 0.60 H new ATOM 615 N MET A 43 -6.686 5.725 4.218 1.00 0.27 N ATOM 616 CA MET A 43 -5.750 5.353 3.210 1.00 0.31 C ATOM 617 C MET A 43 -4.358 5.793 3.596 1.00 0.25 C ATOM 618 O MET A 43 -3.375 5.095 3.346 1.00 0.28 O ATOM 619 CB MET A 43 -6.188 6.059 1.943 1.00 0.46 C ATOM 620 CG MET A 43 -5.564 5.647 0.646 1.00 0.73 C ATOM 621 SD MET A 43 -6.010 3.995 0.130 1.00 0.86 S ATOM 622 CE MET A 43 -4.890 2.996 1.094 1.00 0.40 C ATOM 0 H MET A 43 -7.406 6.349 3.852 1.00 0.27 H new ATOM 0 HA MET A 43 -5.724 4.272 3.075 1.00 0.31 H new ATOM 0 HB2 MET A 43 -7.266 5.932 1.848 1.00 0.46 H new ATOM 0 HB3 MET A 43 -6.004 7.125 2.076 1.00 0.46 H new ATOM 0 HG2 MET A 43 -5.859 6.353 -0.130 1.00 0.73 H new ATOM 0 HG3 MET A 43 -4.480 5.710 0.738 1.00 0.73 H new ATOM 0 HE1 MET A 43 -4.770 2.023 0.619 1.00 0.40 H new ATOM 0 HE2 MET A 43 -3.921 3.492 1.156 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.294 2.862 2.098 1.00 0.40 H new ATOM 632 N VAL A 44 -4.290 6.941 4.233 1.00 0.22 N ATOM 633 CA VAL A 44 -3.030 7.499 4.674 1.00 0.22 C ATOM 634 C VAL A 44 -2.390 6.617 5.794 1.00 0.21 C ATOM 635 O VAL A 44 -1.184 6.570 5.946 1.00 0.26 O ATOM 636 CB VAL A 44 -3.196 8.976 5.154 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.864 9.586 5.579 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.828 9.817 4.055 1.00 0.30 C ATOM 0 H VAL A 44 -5.104 7.513 4.460 1.00 0.22 H new ATOM 0 HA VAL A 44 -2.355 7.504 3.818 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.851 8.968 6.026 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -2.022 10.614 5.906 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.443 9.005 6.399 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -1.174 9.576 4.736 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.939 10.845 4.401 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -3.191 9.799 3.171 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.808 9.411 3.804 1.00 0.30 H new ATOM 648 N GLU A 45 -3.209 5.872 6.521 1.00 0.19 N ATOM 649 CA GLU A 45 -2.694 4.983 7.570 1.00 0.18 C ATOM 650 C GLU A 45 -2.107 3.746 6.941 1.00 0.20 C ATOM 651 O GLU A 45 -1.049 3.286 7.322 1.00 0.25 O ATOM 652 CB GLU A 45 -3.803 4.538 8.508 1.00 0.17 C ATOM 653 CG GLU A 45 -4.476 5.628 9.289 1.00 0.29 C ATOM 654 CD GLU A 45 -3.562 6.304 10.286 1.00 0.46 C ATOM 655 OE1 GLU A 45 -2.890 7.289 9.915 1.00 0.58 O ATOM 656 OE2 GLU A 45 -3.491 5.863 11.448 1.00 0.68 O ATOM 0 H GLU A 45 -4.223 5.859 6.412 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.941 5.537 8.130 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.560 4.016 7.923 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.390 3.815 9.211 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -4.862 6.376 8.596 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.333 5.210 9.818 1.00 0.29 H new ATOM 663 N VAL A 46 -2.799 3.246 5.930 1.00 0.19 N ATOM 664 CA VAL A 46 -2.455 2.001 5.245 1.00 0.22 C ATOM 665 C VAL A 46 -1.049 2.064 4.625 1.00 0.20 C ATOM 666 O VAL A 46 -0.364 1.059 4.502 1.00 0.23 O ATOM 667 CB VAL A 46 -3.495 1.686 4.129 1.00 0.31 C ATOM 668 CG1 VAL A 46 -3.254 0.332 3.498 1.00 0.53 C ATOM 669 CG2 VAL A 46 -4.915 1.781 4.657 1.00 0.63 C ATOM 0 H VAL A 46 -3.631 3.699 5.552 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.468 1.208 5.993 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.365 2.441 3.353 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -4.001 0.152 2.725 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -2.259 0.310 3.053 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -3.327 -0.443 4.261 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.617 1.556 3.854 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -5.050 1.066 5.469 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -5.099 2.789 5.028 1.00 0.63 H new ATOM 679 N VAL A 47 -0.607 3.257 4.323 1.00 0.17 N ATOM 680 CA VAL A 47 0.686 3.440 3.647 1.00 0.18 C ATOM 681 C VAL A 47 1.789 3.376 4.631 1.00 0.19 C ATOM 682 O VAL A 47 2.794 2.690 4.446 1.00 0.21 O ATOM 683 CB VAL A 47 0.742 4.784 2.863 1.00 0.22 C ATOM 684 CG1 VAL A 47 0.729 6.056 3.703 1.00 0.55 C ATOM 685 CG2 VAL A 47 1.807 4.800 1.791 1.00 0.54 C ATOM 0 H VAL A 47 -1.107 4.122 4.526 1.00 0.17 H new ATOM 0 HA VAL A 47 0.800 2.632 2.925 1.00 0.18 H new ATOM 0 HB VAL A 47 -0.224 4.811 2.358 1.00 0.22 H new ATOM 0 HG11 VAL A 47 0.771 6.926 3.047 1.00 0.55 H new ATOM 0 HG12 VAL A 47 -0.186 6.092 4.295 1.00 0.55 H new ATOM 0 HG13 VAL A 47 1.592 6.061 4.369 1.00 0.55 H new ATOM 0 HG21 VAL A 47 1.795 5.763 1.281 1.00 0.54 H new ATOM 0 HG22 VAL A 47 2.785 4.643 2.247 1.00 0.54 H new ATOM 0 HG23 VAL A 47 1.610 4.006 1.071 1.00 0.54 H new ATOM 695 N VAL A 48 1.576 4.083 5.652 1.00 0.19 N ATOM 696 CA VAL A 48 2.499 4.171 6.748 1.00 0.23 C ATOM 697 C VAL A 48 2.600 2.810 7.411 1.00 0.23 C ATOM 698 O VAL A 48 3.690 2.334 7.704 1.00 0.35 O ATOM 699 CB VAL A 48 2.077 5.273 7.763 1.00 0.31 C ATOM 700 CG1 VAL A 48 3.060 5.359 8.916 1.00 0.42 C ATOM 701 CG2 VAL A 48 1.988 6.626 7.062 1.00 0.33 C ATOM 0 H VAL A 48 0.734 4.645 5.777 1.00 0.19 H new ATOM 0 HA VAL A 48 3.480 4.461 6.371 1.00 0.23 H new ATOM 0 HB VAL A 48 1.099 5.006 8.163 1.00 0.31 H new ATOM 0 HG11 VAL A 48 2.740 6.137 9.609 1.00 0.42 H new ATOM 0 HG12 VAL A 48 3.096 4.402 9.436 1.00 0.42 H new ATOM 0 HG13 VAL A 48 4.051 5.600 8.532 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.692 7.390 7.781 1.00 0.33 H new ATOM 0 HG22 VAL A 48 2.960 6.882 6.640 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.248 6.574 6.263 1.00 0.33 H new ATOM 711 N ALA A 49 1.459 2.133 7.524 1.00 0.18 N ATOM 712 CA ALA A 49 1.409 0.856 8.130 1.00 0.18 C ATOM 713 C ALA A 49 2.145 -0.148 7.279 1.00 0.17 C ATOM 714 O ALA A 49 2.743 -1.103 7.792 1.00 0.21 O ATOM 715 CB ALA A 49 -0.017 0.423 8.365 1.00 0.20 C ATOM 0 H ALA A 49 0.558 2.476 7.190 1.00 0.18 H new ATOM 0 HA ALA A 49 1.899 0.914 9.102 1.00 0.18 H new ATOM 0 HB1 ALA A 49 -0.026 -0.562 8.832 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.512 1.140 9.021 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.545 0.378 7.413 1.00 0.20 H new ATOM 721 N ALA A 50 2.098 0.083 5.976 1.00 0.16 N ATOM 722 CA ALA A 50 2.774 -0.739 5.016 1.00 0.18 C ATOM 723 C ALA A 50 4.269 -0.622 5.193 1.00 0.18 C ATOM 724 O ALA A 50 4.939 -1.609 5.508 1.00 0.21 O ATOM 725 CB ALA A 50 2.360 -0.359 3.587 1.00 0.18 C ATOM 0 H ALA A 50 1.580 0.859 5.563 1.00 0.16 H new ATOM 0 HA ALA A 50 2.486 -1.777 5.182 1.00 0.18 H new ATOM 0 HB1 ALA A 50 2.885 -0.995 2.875 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.285 -0.495 3.471 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.616 0.684 3.399 1.00 0.18 H new ATOM 731 N GLU A 51 4.788 0.579 5.069 1.00 0.18 N ATOM 732 CA GLU A 51 6.214 0.776 5.128 1.00 0.23 C ATOM 733 C GLU A 51 6.840 0.385 6.463 1.00 0.23 C ATOM 734 O GLU A 51 7.940 -0.194 6.481 1.00 0.30 O ATOM 735 CB GLU A 51 6.632 2.133 4.567 1.00 0.29 C ATOM 736 CG GLU A 51 5.938 3.361 5.125 1.00 0.31 C ATOM 737 CD GLU A 51 6.648 4.035 6.269 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.661 3.522 7.388 1.00 0.51 O ATOM 739 OE2 GLU A 51 7.186 5.150 6.050 1.00 0.64 O ATOM 0 H GLU A 51 4.244 1.430 4.927 1.00 0.18 H new ATOM 0 HA GLU A 51 6.660 0.052 4.446 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.704 2.249 4.728 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.472 2.116 3.489 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.812 4.085 4.320 1.00 0.31 H new ATOM 0 HG3 GLU A 51 4.939 3.075 5.456 1.00 0.31 H new ATOM 746 N GLU A 52 6.107 0.604 7.548 1.00 0.22 N ATOM 747 CA GLU A 52 6.505 0.162 8.888 1.00 0.26 C ATOM 748 C GLU A 52 6.730 -1.338 8.930 1.00 0.24 C ATOM 749 O GLU A 52 7.697 -1.823 9.503 1.00 0.35 O ATOM 750 CB GLU A 52 5.418 0.482 9.900 1.00 0.33 C ATOM 751 CG GLU A 52 5.330 1.912 10.332 1.00 0.46 C ATOM 752 CD GLU A 52 4.230 2.097 11.338 1.00 1.20 C ATOM 753 OE1 GLU A 52 4.222 1.414 12.370 1.00 1.50 O ATOM 754 OE2 GLU A 52 3.362 2.952 11.124 1.00 2.07 O ATOM 0 H GLU A 52 5.214 1.096 7.528 1.00 0.22 H new ATOM 0 HA GLU A 52 7.429 0.687 9.131 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.457 0.190 9.477 1.00 0.33 H new ATOM 0 HB3 GLU A 52 5.578 -0.136 10.784 1.00 0.33 H new ATOM 0 HG2 GLU A 52 6.281 2.226 10.764 1.00 0.46 H new ATOM 0 HG3 GLU A 52 5.148 2.548 9.466 1.00 0.46 H new ATOM 761 N ARG A 53 5.855 -2.048 8.284 1.00 0.18 N ATOM 762 CA ARG A 53 5.836 -3.478 8.342 1.00 0.21 C ATOM 763 C ARG A 53 6.853 -4.070 7.384 1.00 0.24 C ATOM 764 O ARG A 53 7.565 -5.012 7.729 1.00 0.37 O ATOM 765 CB ARG A 53 4.416 -3.983 8.010 1.00 0.25 C ATOM 766 CG ARG A 53 4.199 -5.492 8.147 1.00 0.41 C ATOM 767 CD ARG A 53 2.751 -5.874 7.817 1.00 0.49 C ATOM 768 NE ARG A 53 1.780 -5.213 8.711 1.00 1.36 N ATOM 769 CZ ARG A 53 0.555 -5.667 9.022 1.00 1.55 C ATOM 770 NH1 ARG A 53 0.151 -6.865 8.617 1.00 1.19 N ATOM 771 NH2 ARG A 53 -0.253 -4.907 9.767 1.00 2.48 N ATOM 0 H ARG A 53 5.126 -1.646 7.695 1.00 0.18 H new ATOM 0 HA ARG A 53 6.105 -3.798 9.349 1.00 0.21 H new ATOM 0 HB2 ARG A 53 3.707 -3.472 8.661 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.177 -3.691 6.987 1.00 0.25 H new ATOM 0 HG2 ARG A 53 4.879 -6.022 7.480 1.00 0.41 H new ATOM 0 HG3 ARG A 53 4.439 -5.806 9.163 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.533 -5.604 6.784 1.00 0.49 H new ATOM 0 HD3 ARG A 53 2.636 -6.955 7.895 1.00 0.49 H new ATOM 0 HE ARG A 53 2.066 -4.329 9.132 1.00 1.36 H new ATOM 0 HH11 ARG A 53 0.774 -7.453 8.063 1.00 1.19 H new ATOM 0 HH12 ARG A 53 -0.782 -7.198 8.860 1.00 1.19 H new ATOM 0 HH21 ARG A 53 0.063 -3.993 10.093 1.00 2.48 H new ATOM 0 HH22 ARG A 53 -1.186 -5.240 10.010 1.00 2.48 H new ATOM 785 N PHE A 54 6.953 -3.501 6.200 1.00 0.20 N ATOM 786 CA PHE A 54 7.780 -4.121 5.183 1.00 0.26 C ATOM 787 C PHE A 54 9.229 -3.769 5.298 1.00 0.37 C ATOM 788 O PHE A 54 10.044 -4.675 5.201 1.00 0.81 O ATOM 789 CB PHE A 54 7.262 -3.841 3.783 1.00 0.18 C ATOM 790 CG PHE A 54 5.813 -4.097 3.680 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.277 -5.219 4.236 1.00 0.27 C ATOM 792 CD2 PHE A 54 4.993 -3.234 2.979 1.00 0.19 C ATOM 793 CE1 PHE A 54 3.948 -5.486 4.101 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.673 -3.501 2.832 1.00 0.29 C ATOM 795 CZ PHE A 54 3.111 -4.513 3.585 1.00 0.33 C ATOM 0 H PHE A 54 6.488 -2.637 5.922 1.00 0.20 H new ATOM 0 HA PHE A 54 7.707 -5.193 5.365 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.469 -2.804 3.518 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.794 -4.465 3.066 1.00 0.18 H new ATOM 0 HD1 PHE A 54 5.909 -5.900 4.787 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.409 -2.337 2.544 1.00 0.19 H new ATOM 0 HE1 PHE A 54 3.552 -6.447 4.394 1.00 0.36 H new ATOM 0 HE2 PHE A 54 3.071 -2.933 2.138 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.047 -4.544 3.766 1.00 0.33 H new ATOM 805 N ASP A 55 9.547 -2.460 5.531 1.00 0.23 N ATOM 806 CA ASP A 55 10.962 -1.976 5.720 1.00 0.30 C ATOM 807 C ASP A 55 11.124 -0.499 5.384 1.00 0.21 C ATOM 808 O ASP A 55 11.799 0.244 6.092 1.00 0.44 O ATOM 809 CB ASP A 55 11.986 -2.723 4.829 1.00 0.60 C ATOM 810 CG ASP A 55 13.424 -2.341 5.075 1.00 1.22 C ATOM 811 OD1 ASP A 55 13.916 -1.365 4.486 1.00 1.56 O ATOM 812 OD2 ASP A 55 14.103 -3.066 5.815 1.00 1.99 O ATOM 0 H ASP A 55 8.849 -1.719 5.593 1.00 0.23 H new ATOM 0 HA ASP A 55 11.158 -2.167 6.775 1.00 0.30 H new ATOM 0 HB2 ASP A 55 11.875 -3.795 4.991 1.00 0.60 H new ATOM 0 HB3 ASP A 55 11.746 -2.532 3.783 1.00 0.60 H new ATOM 817 N VAL A 56 10.472 -0.092 4.328 1.00 0.17 N ATOM 818 CA VAL A 56 10.752 1.174 3.680 1.00 0.21 C ATOM 819 C VAL A 56 10.199 2.392 4.468 1.00 0.20 C ATOM 820 O VAL A 56 9.552 2.235 5.507 1.00 0.21 O ATOM 821 CB VAL A 56 10.196 1.117 2.211 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.699 1.132 2.181 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.761 2.167 1.294 1.00 0.37 C ATOM 0 H VAL A 56 9.726 -0.628 3.886 1.00 0.17 H new ATOM 0 HA VAL A 56 11.831 1.324 3.656 1.00 0.21 H new ATOM 0 HB VAL A 56 10.543 0.161 1.819 1.00 0.27 H new ATOM 0 HG11 VAL A 56 8.355 1.091 1.147 1.00 0.29 H new ATOM 0 HG12 VAL A 56 8.316 0.269 2.725 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.335 2.047 2.649 1.00 0.29 H new ATOM 0 HG21 VAL A 56 10.325 2.056 0.301 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.526 3.157 1.685 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.843 2.050 1.230 1.00 0.37 H new ATOM 833 N LYS A 57 10.511 3.570 3.998 1.00 0.25 N ATOM 834 CA LYS A 57 9.964 4.806 4.500 1.00 0.25 C ATOM 835 C LYS A 57 9.264 5.459 3.337 1.00 0.22 C ATOM 836 O LYS A 57 9.858 5.600 2.265 1.00 0.28 O ATOM 837 CB LYS A 57 11.086 5.732 4.981 1.00 0.33 C ATOM 838 CG LYS A 57 10.625 7.078 5.552 1.00 0.44 C ATOM 839 CD LYS A 57 10.839 7.179 7.062 1.00 0.89 C ATOM 840 CE LYS A 57 9.936 6.256 7.872 1.00 1.46 C ATOM 841 NZ LYS A 57 8.516 6.649 7.784 1.00 2.12 N ATOM 0 H LYS A 57 11.172 3.702 3.233 1.00 0.25 H new ATOM 0 HA LYS A 57 9.292 4.618 5.337 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.663 5.210 5.745 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.761 5.922 4.146 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.167 7.884 5.057 1.00 0.44 H new ATOM 0 HG3 LYS A 57 9.568 7.221 5.328 1.00 0.44 H new ATOM 0 HD2 LYS A 57 11.879 6.946 7.289 1.00 0.89 H new ATOM 0 HD3 LYS A 57 10.667 8.208 7.376 1.00 0.89 H new ATOM 0 HE2 LYS A 57 10.051 5.233 7.515 1.00 1.46 H new ATOM 0 HE3 LYS A 57 10.250 6.267 8.916 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 8.148 6.836 8.738 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 8.429 7.508 7.205 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 7.969 5.880 7.347 1.00 2.12 H new ATOM 855 N ILE A 58 8.032 5.815 3.502 1.00 0.20 N ATOM 856 CA ILE A 58 7.306 6.440 2.423 1.00 0.19 C ATOM 857 C ILE A 58 6.860 7.845 2.834 1.00 0.21 C ATOM 858 O ILE A 58 6.045 7.996 3.747 1.00 0.25 O ATOM 859 CB ILE A 58 6.075 5.587 1.980 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.514 4.159 1.622 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.406 6.227 0.772 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.377 3.223 1.263 1.00 0.24 C ATOM 0 H ILE A 58 7.502 5.689 4.364 1.00 0.20 H new ATOM 0 HA ILE A 58 7.979 6.511 1.568 1.00 0.19 H new ATOM 0 HB ILE A 58 5.368 5.546 2.808 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.208 4.206 0.783 1.00 0.22 H new ATOM 0 HG13 ILE A 58 7.061 3.738 2.466 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.549 5.626 0.470 1.00 0.20 H new ATOM 0 HG22 ILE A 58 5.071 7.232 1.031 1.00 0.20 H new ATOM 0 HG23 ILE A 58 6.118 6.283 -0.051 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.778 2.238 1.025 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.692 3.141 2.107 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.842 3.616 0.399 1.00 0.24 H new ATOM 874 N PRO A 59 7.429 8.886 2.197 1.00 0.23 N ATOM 875 CA PRO A 59 7.067 10.297 2.459 1.00 0.28 C ATOM 876 C PRO A 59 5.666 10.590 1.955 1.00 0.24 C ATOM 877 O PRO A 59 5.208 9.923 1.022 1.00 0.21 O ATOM 878 CB PRO A 59 8.055 11.070 1.592 1.00 0.33 C ATOM 879 CG PRO A 59 8.399 10.124 0.502 1.00 0.30 C ATOM 880 CD PRO A 59 8.471 8.784 1.159 1.00 0.25 C ATOM 0 HA PRO A 59 7.097 10.546 3.520 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.610 11.985 1.200 1.00 0.33 H new ATOM 0 HB3 PRO A 59 8.939 11.363 2.159 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.645 10.138 -0.285 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.349 10.387 0.037 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.268 7.975 0.457 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.455 8.594 1.588 1.00 0.25 H new ATOM 888 N ASP A 60 5.012 11.608 2.523 1.00 0.30 N ATOM 889 CA ASP A 60 3.628 11.991 2.153 1.00 0.34 C ATOM 890 C ASP A 60 3.464 12.169 0.645 1.00 0.31 C ATOM 891 O ASP A 60 2.409 11.829 0.088 1.00 0.36 O ATOM 892 CB ASP A 60 3.128 13.255 2.911 1.00 0.51 C ATOM 893 CG ASP A 60 3.754 14.573 2.463 1.00 1.25 C ATOM 894 OD1 ASP A 60 4.819 14.974 2.999 1.00 1.98 O ATOM 895 OD2 ASP A 60 3.175 15.258 1.593 1.00 1.92 O ATOM 0 H ASP A 60 5.418 12.195 3.252 1.00 0.30 H new ATOM 0 HA ASP A 60 3.000 11.157 2.465 1.00 0.34 H new ATOM 0 HB2 ASP A 60 2.047 13.326 2.792 1.00 0.51 H new ATOM 0 HB3 ASP A 60 3.324 13.122 3.975 1.00 0.51 H new ATOM 900 N ASP A 61 4.527 12.640 -0.021 1.00 0.30 N ATOM 901 CA ASP A 61 4.523 12.801 -1.477 1.00 0.37 C ATOM 902 C ASP A 61 4.418 11.460 -2.157 1.00 0.33 C ATOM 903 O ASP A 61 3.523 11.234 -2.938 1.00 0.46 O ATOM 904 CB ASP A 61 5.772 13.535 -1.994 1.00 0.50 C ATOM 905 CG ASP A 61 5.796 15.006 -1.651 1.00 1.16 C ATOM 906 OD1 ASP A 61 5.285 15.829 -2.430 1.00 1.16 O ATOM 907 OD2 ASP A 61 6.340 15.378 -0.590 1.00 2.06 O ATOM 0 H ASP A 61 5.400 12.916 0.428 1.00 0.30 H new ATOM 0 HA ASP A 61 3.653 13.411 -1.718 1.00 0.37 H new ATOM 0 HB2 ASP A 61 6.660 13.059 -1.579 1.00 0.50 H new ATOM 0 HB3 ASP A 61 5.827 13.422 -3.077 1.00 0.50 H new ATOM 912 N ASP A 62 5.318 10.549 -1.819 1.00 0.25 N ATOM 913 CA ASP A 62 5.311 9.216 -2.423 1.00 0.25 C ATOM 914 C ASP A 62 4.113 8.419 -2.033 1.00 0.23 C ATOM 915 O ASP A 62 3.644 7.599 -2.814 1.00 0.28 O ATOM 916 CB ASP A 62 6.580 8.425 -2.180 1.00 0.26 C ATOM 917 CG ASP A 62 7.677 8.782 -3.142 1.00 0.36 C ATOM 918 OD1 ASP A 62 7.447 8.680 -4.368 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.796 9.128 -2.696 1.00 0.44 O ATOM 0 H ASP A 62 6.059 10.702 -1.135 1.00 0.25 H new ATOM 0 HA ASP A 62 5.261 9.403 -3.496 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.924 8.601 -1.161 1.00 0.26 H new ATOM 0 HB3 ASP A 62 6.361 7.360 -2.263 1.00 0.26 H new ATOM 924 N VAL A 63 3.630 8.658 -0.823 1.00 0.22 N ATOM 925 CA VAL A 63 2.392 8.088 -0.323 1.00 0.26 C ATOM 926 C VAL A 63 1.285 8.322 -1.351 1.00 0.29 C ATOM 927 O VAL A 63 0.731 7.381 -1.899 1.00 0.38 O ATOM 928 CB VAL A 63 2.006 8.774 1.030 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.600 8.456 1.422 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.927 8.336 2.150 1.00 0.27 C ATOM 0 H VAL A 63 4.098 9.265 -0.150 1.00 0.22 H new ATOM 0 HA VAL A 63 2.520 7.018 -0.157 1.00 0.26 H new ATOM 0 HB VAL A 63 2.105 9.848 0.873 1.00 0.27 H new ATOM 0 HG11 VAL A 63 0.365 8.948 2.366 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.082 8.810 0.649 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.490 7.378 1.538 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.633 8.830 3.076 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.858 7.256 2.277 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.954 8.607 1.904 1.00 0.27 H new ATOM 940 N LYS A 64 1.040 9.578 -1.644 1.00 0.27 N ATOM 941 CA LYS A 64 -0.033 9.983 -2.555 1.00 0.34 C ATOM 942 C LYS A 64 0.283 9.663 -4.042 1.00 0.32 C ATOM 943 O LYS A 64 -0.528 9.918 -4.930 1.00 0.38 O ATOM 944 CB LYS A 64 -0.375 11.467 -2.345 1.00 0.44 C ATOM 945 CG LYS A 64 0.743 12.432 -2.698 1.00 0.83 C ATOM 946 CD LYS A 64 0.467 13.850 -2.217 1.00 0.73 C ATOM 947 CE LYS A 64 -0.854 14.415 -2.760 1.00 1.59 C ATOM 948 NZ LYS A 64 -0.885 14.498 -4.241 1.00 2.16 N ATOM 0 H LYS A 64 1.574 10.358 -1.262 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.913 9.388 -2.310 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -1.251 11.712 -2.945 1.00 0.44 H new ATOM 0 HB3 LYS A 64 -0.651 11.618 -1.301 1.00 0.44 H new ATOM 0 HG2 LYS A 64 1.675 12.078 -2.258 1.00 0.83 H new ATOM 0 HG3 LYS A 64 0.883 12.440 -3.779 1.00 0.83 H new ATOM 0 HD2 LYS A 64 0.441 13.861 -1.127 1.00 0.73 H new ATOM 0 HD3 LYS A 64 1.288 14.499 -2.523 1.00 0.73 H new ATOM 0 HE2 LYS A 64 -1.678 13.788 -2.420 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -1.016 15.409 -2.343 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -1.793 14.902 -4.547 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 -0.107 15.105 -4.571 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 -0.776 13.546 -4.644 1.00 2.16 H new ATOM 962 N ASN A 65 1.457 9.118 -4.307 1.00 0.26 N ATOM 963 CA ASN A 65 1.850 8.759 -5.650 1.00 0.29 C ATOM 964 C ASN A 65 1.532 7.314 -5.893 1.00 0.28 C ATOM 965 O ASN A 65 1.474 6.842 -7.040 1.00 0.42 O ATOM 966 CB ASN A 65 3.331 8.974 -5.863 1.00 0.36 C ATOM 967 CG ASN A 65 3.743 10.435 -5.866 1.00 0.90 C ATOM 968 OD1 ASN A 65 2.942 11.323 -6.187 1.00 1.59 O ATOM 969 ND2 ASN A 65 4.993 10.703 -5.553 1.00 1.43 N ATOM 0 H ASN A 65 2.160 8.914 -3.597 1.00 0.26 H new ATOM 0 HA ASN A 65 1.301 9.394 -6.345 1.00 0.29 H new ATOM 0 HB2 ASN A 65 3.881 8.453 -5.080 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.622 8.522 -6.811 1.00 0.36 H new ATOM 0 HD21 ASN A 65 5.328 11.666 -5.570 1.00 1.43 H new ATOM 0 HD22 ASN A 65 5.627 9.947 -5.293 1.00 1.43 H new ATOM 976 N LEU A 66 1.341 6.600 -4.820 1.00 0.21 N ATOM 977 CA LEU A 66 0.979 5.239 -4.897 1.00 0.23 C ATOM 978 C LEU A 66 -0.516 5.227 -5.049 1.00 0.25 C ATOM 979 O LEU A 66 -1.220 5.729 -4.195 1.00 0.31 O ATOM 980 CB LEU A 66 1.389 4.480 -3.610 1.00 0.22 C ATOM 981 CG LEU A 66 2.851 4.631 -3.140 1.00 0.21 C ATOM 982 CD1 LEU A 66 3.137 3.757 -1.923 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.826 4.325 -4.259 1.00 0.23 C ATOM 0 H LEU A 66 1.436 6.960 -3.870 1.00 0.21 H new ATOM 0 HA LEU A 66 1.481 4.744 -5.728 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.738 4.810 -2.801 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.192 3.419 -3.765 1.00 0.22 H new ATOM 0 HG LEU A 66 2.990 5.672 -2.848 1.00 0.21 H new ATOM 0 HD11 LEU A 66 4.175 3.887 -1.618 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.479 4.047 -1.104 1.00 0.22 H new ATOM 0 HD13 LEU A 66 2.962 2.712 -2.177 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.847 4.441 -3.894 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.677 3.301 -4.601 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.657 5.013 -5.087 1.00 0.23 H new ATOM 995 N LYS A 67 -1.005 4.750 -6.145 1.00 0.28 N ATOM 996 CA LYS A 67 -2.442 4.710 -6.285 1.00 0.34 C ATOM 997 C LYS A 67 -2.909 3.288 -6.278 1.00 0.30 C ATOM 998 O LYS A 67 -4.011 2.986 -5.828 1.00 0.38 O ATOM 999 CB LYS A 67 -3.018 5.517 -7.504 1.00 0.46 C ATOM 1000 CG LYS A 67 -2.827 4.951 -8.923 1.00 1.05 C ATOM 1001 CD LYS A 67 -1.390 4.913 -9.391 1.00 1.26 C ATOM 1002 CE LYS A 67 -0.745 6.280 -9.459 1.00 1.83 C ATOM 1003 NZ LYS A 67 0.656 6.172 -9.909 1.00 2.55 N ATOM 0 H LYS A 67 -0.466 4.393 -6.934 1.00 0.28 H new ATOM 0 HA LYS A 67 -2.848 5.235 -5.420 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -4.088 5.644 -7.340 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -2.572 6.511 -7.482 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -3.234 3.940 -8.956 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -3.409 5.552 -9.622 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -0.813 4.280 -8.717 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -1.349 4.450 -10.377 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -1.304 6.918 -10.143 1.00 1.83 H new ATOM 0 HE3 LYS A 67 -0.782 6.755 -8.478 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 1.273 6.688 -9.250 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 0.936 5.171 -9.934 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 0.747 6.581 -10.861 1.00 2.55 H new ATOM 1017 N THR A 68 -2.066 2.395 -6.757 1.00 0.23 N ATOM 1018 CA THR A 68 -2.389 1.038 -6.757 1.00 0.19 C ATOM 1019 C THR A 68 -1.392 0.297 -5.932 1.00 0.18 C ATOM 1020 O THR A 68 -0.360 0.861 -5.511 1.00 0.20 O ATOM 1021 CB THR A 68 -2.421 0.439 -8.177 1.00 0.18 C ATOM 1022 OG1 THR A 68 -1.097 0.371 -8.726 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.317 1.266 -9.101 1.00 0.22 C ATOM 0 H THR A 68 -1.151 2.618 -7.148 1.00 0.23 H new ATOM 0 HA THR A 68 -3.390 0.939 -6.338 1.00 0.19 H new ATOM 0 HB THR A 68 -2.830 -0.569 -8.102 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.684 1.259 -8.696 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.322 0.822 -10.096 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.333 1.281 -8.705 1.00 0.22 H new ATOM 0 HG23 THR A 68 -2.936 2.285 -9.161 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.650 -0.972 -5.735 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.765 -1.818 -5.011 1.00 0.18 C ATOM 1033 C VAL A 69 0.450 -2.072 -5.857 1.00 0.15 C ATOM 1034 O VAL A 69 1.509 -2.397 -5.348 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.445 -3.148 -4.663 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -0.597 -4.005 -3.746 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -2.814 -2.895 -4.091 1.00 1.21 C ATOM 0 H VAL A 69 -2.488 -1.440 -6.079 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.482 -1.331 -4.078 1.00 0.18 H new ATOM 0 HB VAL A 69 -1.559 -3.719 -5.585 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -1.122 -4.935 -3.529 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.352 -4.229 -4.232 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.411 -3.468 -2.816 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -3.288 -3.846 -3.847 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -2.725 -2.292 -3.187 1.00 1.21 H new ATOM 0 HG23 VAL A 69 -3.422 -2.364 -4.823 1.00 1.21 H new ATOM 1047 N GLY A 70 0.302 -1.835 -7.156 1.00 0.14 N ATOM 1048 CA GLY A 70 1.414 -2.037 -8.056 1.00 0.16 C ATOM 1049 C GLY A 70 2.461 -0.993 -7.824 1.00 0.19 C ATOM 1050 O GLY A 70 3.636 -1.296 -7.771 1.00 0.33 O ATOM 0 H GLY A 70 -0.560 -1.510 -7.595 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.839 -3.029 -7.904 1.00 0.16 H new ATOM 0 HA3 GLY A 70 1.068 -1.993 -9.089 1.00 0.16 H new ATOM 1054 N ASP A 71 2.012 0.233 -7.615 1.00 0.17 N ATOM 1055 CA ASP A 71 2.907 1.348 -7.334 1.00 0.20 C ATOM 1056 C ASP A 71 3.526 1.133 -5.998 1.00 0.17 C ATOM 1057 O ASP A 71 4.742 1.107 -5.871 1.00 0.20 O ATOM 1058 CB ASP A 71 2.160 2.679 -7.232 1.00 0.32 C ATOM 1059 CG ASP A 71 1.302 3.000 -8.379 1.00 0.87 C ATOM 1060 OD1 ASP A 71 0.151 2.574 -8.372 1.00 1.39 O ATOM 1061 OD2 ASP A 71 1.729 3.717 -9.290 1.00 1.28 O ATOM 0 H ASP A 71 1.024 0.485 -7.635 1.00 0.17 H new ATOM 0 HA ASP A 71 3.631 1.390 -8.148 1.00 0.20 H new ATOM 0 HB2 ASP A 71 1.546 2.666 -6.331 1.00 0.32 H new ATOM 0 HB3 ASP A 71 2.890 3.479 -7.109 1.00 0.32 H new ATOM 1066 N ALA A 72 2.649 0.952 -5.004 1.00 0.15 N ATOM 1067 CA ALA A 72 3.025 0.848 -3.599 1.00 0.13 C ATOM 1068 C ALA A 72 4.084 -0.151 -3.385 1.00 0.12 C ATOM 1069 O ALA A 72 5.183 0.185 -3.003 1.00 0.14 O ATOM 1070 CB ALA A 72 1.820 0.426 -2.766 1.00 0.13 C ATOM 0 H ALA A 72 1.644 0.873 -5.161 1.00 0.15 H new ATOM 0 HA ALA A 72 3.390 1.830 -3.297 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.110 0.351 -1.718 1.00 0.13 H new ATOM 0 HB2 ALA A 72 1.028 1.167 -2.871 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.459 -0.542 -3.113 1.00 0.13 H new ATOM 1076 N THR A 73 3.765 -1.346 -3.719 1.00 0.11 N ATOM 1077 CA THR A 73 4.611 -2.467 -3.509 1.00 0.13 C ATOM 1078 C THR A 73 5.960 -2.314 -4.179 1.00 0.16 C ATOM 1079 O THR A 73 7.008 -2.512 -3.537 1.00 0.24 O ATOM 1080 CB THR A 73 3.922 -3.696 -4.003 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.654 -3.790 -3.358 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.741 -4.891 -3.688 1.00 0.17 C ATOM 0 H THR A 73 2.877 -1.582 -4.162 1.00 0.11 H new ATOM 0 HA THR A 73 4.804 -2.545 -2.439 1.00 0.13 H new ATOM 0 HB THR A 73 3.787 -3.643 -5.083 1.00 0.14 H new ATOM 0 HG1 THR A 73 2.005 -3.225 -3.828 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.234 -5.785 -4.050 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.713 -4.804 -4.172 1.00 0.17 H new ATOM 0 HG23 THR A 73 4.878 -4.964 -2.609 1.00 0.17 H new ATOM 1090 N LYS A 74 5.921 -1.986 -5.449 1.00 0.17 N ATOM 1091 CA LYS A 74 7.089 -1.744 -6.224 1.00 0.20 C ATOM 1092 C LYS A 74 7.947 -0.712 -5.537 1.00 0.23 C ATOM 1093 O LYS A 74 9.106 -0.950 -5.305 1.00 0.45 O ATOM 1094 CB LYS A 74 6.653 -1.296 -7.613 1.00 0.25 C ATOM 1095 CG LYS A 74 7.691 -0.589 -8.456 1.00 0.98 C ATOM 1096 CD LYS A 74 7.465 0.921 -8.419 1.00 2.21 C ATOM 1097 CE LYS A 74 6.169 1.305 -9.147 1.00 2.92 C ATOM 1098 NZ LYS A 74 5.977 2.775 -9.250 1.00 3.63 N ATOM 0 H LYS A 74 5.052 -1.881 -5.972 1.00 0.17 H new ATOM 0 HA LYS A 74 7.691 -2.648 -6.323 1.00 0.20 H new ATOM 0 HB2 LYS A 74 6.310 -2.173 -8.161 1.00 0.25 H new ATOM 0 HB3 LYS A 74 5.795 -0.633 -7.503 1.00 0.25 H new ATOM 0 HG2 LYS A 74 8.690 -0.823 -8.087 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.639 -0.946 -9.484 1.00 0.98 H new ATOM 0 HD2 LYS A 74 7.418 1.259 -7.384 1.00 2.21 H new ATOM 0 HD3 LYS A 74 8.310 1.430 -8.883 1.00 2.21 H new ATOM 0 HE2 LYS A 74 6.179 0.874 -10.148 1.00 2.92 H new ATOM 0 HE3 LYS A 74 5.320 0.869 -8.621 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 5.087 2.975 -9.750 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 5.938 3.188 -8.296 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 6.771 3.193 -9.776 1.00 3.63 H new ATOM 1112 N TYR A 75 7.325 0.392 -5.148 1.00 0.16 N ATOM 1113 CA TYR A 75 7.986 1.497 -4.489 1.00 0.16 C ATOM 1114 C TYR A 75 8.682 1.044 -3.230 1.00 0.16 C ATOM 1115 O TYR A 75 9.868 1.339 -3.021 1.00 0.19 O ATOM 1116 CB TYR A 75 6.974 2.559 -4.116 1.00 0.16 C ATOM 1117 CG TYR A 75 7.614 3.739 -3.447 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.341 4.652 -4.188 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.430 3.983 -2.099 1.00 0.21 C ATOM 1120 CE1 TYR A 75 8.865 5.770 -3.612 1.00 0.32 C ATOM 1121 CE2 TYR A 75 7.967 5.099 -1.508 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.901 5.815 -2.167 1.00 0.28 C ATOM 1123 OH TYR A 75 9.192 7.133 -1.691 1.00 0.40 O ATOM 0 H TYR A 75 6.326 0.542 -5.287 1.00 0.16 H new ATOM 0 HA TYR A 75 8.723 1.900 -5.184 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.451 2.891 -5.013 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.225 2.128 -3.451 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.496 4.476 -5.242 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.857 3.287 -1.504 1.00 0.21 H new ATOM 0 HE1 TYR A 75 9.238 6.589 -4.210 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.644 5.402 -0.523 1.00 0.26 H new ATOM 0 HH TYR A 75 9.658 7.638 -2.390 1.00 0.40 H new ATOM 1133 N ILE A 76 7.920 0.364 -2.401 1.00 0.14 N ATOM 1134 CA ILE A 76 8.364 -0.155 -1.140 1.00 0.16 C ATOM 1135 C ILE A 76 9.639 -0.971 -1.337 1.00 0.17 C ATOM 1136 O ILE A 76 10.700 -0.541 -0.919 1.00 0.21 O ATOM 1137 CB ILE A 76 7.224 -1.017 -0.531 1.00 0.15 C ATOM 1138 CG1 ILE A 76 6.054 -0.120 -0.169 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.688 -1.761 0.698 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.758 -0.858 0.007 1.00 0.13 C ATOM 0 H ILE A 76 6.942 0.154 -2.600 1.00 0.14 H new ATOM 0 HA ILE A 76 8.597 0.658 -0.452 1.00 0.16 H new ATOM 0 HB ILE A 76 6.919 -1.753 -1.275 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.287 0.411 0.754 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.930 0.633 -0.948 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.865 -2.353 1.097 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.515 -2.420 0.434 1.00 0.19 H new ATOM 0 HG23 ILE A 76 8.020 -1.047 1.452 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.969 -0.151 0.264 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.500 -1.367 -0.922 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.863 -1.592 0.806 1.00 0.13 H new ATOM 1152 N LEU A 77 9.521 -2.082 -2.048 1.00 0.17 N ATOM 1153 CA LEU A 77 10.603 -3.018 -2.328 1.00 0.20 C ATOM 1154 C LEU A 77 11.791 -2.286 -2.949 1.00 0.22 C ATOM 1155 O LEU A 77 12.935 -2.439 -2.498 1.00 0.29 O ATOM 1156 CB LEU A 77 10.037 -4.056 -3.320 1.00 0.23 C ATOM 1157 CG LEU A 77 10.830 -5.335 -3.659 1.00 0.78 C ATOM 1158 CD1 LEU A 77 9.957 -6.198 -4.522 1.00 1.08 C ATOM 1159 CD2 LEU A 77 12.131 -5.053 -4.407 1.00 1.44 C ATOM 0 H LEU A 77 8.634 -2.369 -2.463 1.00 0.17 H new ATOM 0 HA LEU A 77 10.956 -3.496 -1.414 1.00 0.20 H new ATOM 0 HB2 LEU A 77 9.068 -4.372 -2.935 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.852 -3.535 -4.259 1.00 0.23 H new ATOM 0 HG LEU A 77 11.100 -5.821 -2.722 1.00 0.78 H new ATOM 0 HD11 LEU A 77 10.491 -7.113 -4.780 1.00 1.08 H new ATOM 0 HD12 LEU A 77 9.045 -6.450 -3.980 1.00 1.08 H new ATOM 0 HD13 LEU A 77 9.700 -5.659 -5.434 1.00 1.08 H new ATOM 0 HD21 LEU A 77 12.642 -5.993 -4.616 1.00 1.44 H new ATOM 0 HD22 LEU A 77 11.908 -4.545 -5.345 1.00 1.44 H new ATOM 0 HD23 LEU A 77 12.773 -4.420 -3.795 1.00 1.44 H new ATOM 1171 N ASP A 78 11.477 -1.422 -3.907 1.00 0.22 N ATOM 1172 CA ASP A 78 12.465 -0.737 -4.753 1.00 0.29 C ATOM 1173 C ASP A 78 13.361 0.142 -3.933 1.00 0.30 C ATOM 1174 O ASP A 78 14.524 0.348 -4.255 1.00 0.36 O ATOM 1175 CB ASP A 78 11.740 0.113 -5.804 1.00 0.45 C ATOM 1176 CG ASP A 78 12.658 0.752 -6.811 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.180 0.038 -7.684 1.00 0.63 O ATOM 1178 OD2 ASP A 78 12.926 1.970 -6.710 1.00 0.59 O ATOM 0 H ASP A 78 10.514 -1.169 -4.127 1.00 0.22 H new ATOM 0 HA ASP A 78 13.078 -1.493 -5.243 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.020 -0.514 -6.330 1.00 0.45 H new ATOM 0 HB3 ASP A 78 11.173 0.894 -5.297 1.00 0.45 H new ATOM 1183 N HIS A 79 12.822 0.645 -2.861 1.00 0.29 N ATOM 1184 CA HIS A 79 13.557 1.519 -2.006 1.00 0.36 C ATOM 1185 C HIS A 79 14.114 0.837 -0.759 1.00 0.42 C ATOM 1186 O HIS A 79 14.948 1.428 -0.069 1.00 0.58 O ATOM 1187 CB HIS A 79 12.752 2.764 -1.650 1.00 0.38 C ATOM 1188 CG HIS A 79 12.719 3.817 -2.727 1.00 0.61 C ATOM 1189 ND1 HIS A 79 13.486 4.958 -2.682 1.00 0.99 N ATOM 1190 CD2 HIS A 79 11.983 3.914 -3.861 1.00 0.87 C ATOM 1191 CE1 HIS A 79 13.225 5.711 -3.729 1.00 1.25 C ATOM 1192 NE2 HIS A 79 12.318 5.104 -4.464 1.00 1.18 N ATOM 0 H HIS A 79 11.865 0.460 -2.559 1.00 0.29 H new ATOM 0 HA HIS A 79 14.427 1.830 -2.584 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.729 2.466 -1.420 1.00 0.38 H new ATOM 0 HB3 HIS A 79 13.168 3.203 -0.743 1.00 0.38 H new ATOM 0 HD2 HIS A 79 11.267 3.191 -4.224 1.00 0.87 H new ATOM 0 HE1 HIS A 79 13.679 6.666 -3.948 1.00 1.25 H new ATOM 0 HE2 HIS A 79 11.928 5.458 -5.337 1.00 1.18 H new ATOM 1201 N GLN A 80 13.687 -0.399 -0.453 1.00 0.39 N ATOM 1202 CA GLN A 80 14.249 -1.068 0.728 1.00 0.49 C ATOM 1203 C GLN A 80 15.558 -1.630 0.343 1.00 0.58 C ATOM 1204 O GLN A 80 16.585 -1.418 0.979 1.00 0.83 O ATOM 1205 CB GLN A 80 13.455 -2.252 1.206 1.00 0.67 C ATOM 1206 CG GLN A 80 11.979 -2.209 1.054 1.00 0.52 C ATOM 1207 CD GLN A 80 11.372 -3.529 1.437 1.00 0.57 C ATOM 1208 OE1 GLN A 80 12.027 -4.556 1.382 1.00 0.87 O ATOM 1209 NE2 GLN A 80 10.117 -3.537 1.719 1.00 0.56 N ATOM 0 H GLN A 80 12.992 -0.931 -0.976 1.00 0.39 H new ATOM 0 HA GLN A 80 14.274 -0.316 1.516 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.819 -3.133 0.678 1.00 0.67 H new ATOM 0 HB3 GLN A 80 13.678 -2.399 2.263 1.00 0.67 H new ATOM 0 HG2 GLN A 80 11.566 -1.417 1.679 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.721 -1.969 0.023 1.00 0.52 H new ATOM 0 HE21 GLN A 80 9.597 -2.660 1.757 1.00 0.56 H new ATOM 0 HE22 GLN A 80 9.642 -4.420 1.905 1.00 0.56 H new