USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 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 54 HIS : no HE2:sc= -1.52! C(o=-0.52!,f=-4.3!) USER MOD Set 1.2: A 92 LYS NZ :NH3+ -153:sc= 1 (180deg=-0.481!) USER MOD Set 2.1: A 14 LYS NZ :NH3+ -169:sc= 1.86 (180deg=1.53) USER MOD Set 2.2: A 82 THR OG1 : rot -150:sc= -0.0235 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -2:sc= 0.00865 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.451 K(o=-0.45,f=-1.3) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.64 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.25) USER MOD Single : A 37 TYR OH : rot 30:sc= 0.235 USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= -0.0495 (180deg=-0.308) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 49 SER OG : rot 77:sc= 0.6 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.98) USER MOD Single : A 66 SER OG : rot 180:sc= -0.227 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0382 USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.224 F(o=-1.3,f=-0.22) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0193) USER MOD Single : A 74 GLN : amide:sc= -0.163 K(o=-0.16,f=-2.9!) USER MOD Single : A 77 CYS SG : rot -15:sc= 0.0522 USER MOD Single : A 78 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 81 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 87 HIS : no HD1:sc= 0.956 K(o=0.96,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -5.816 -9.772 -9.687 1.00 42.35 N ATOM 61 CA GLY A 5 -4.433 -10.122 -9.908 1.00 23.24 C ATOM 62 C GLY A 5 -3.832 -9.193 -10.910 1.00 75.51 C ATOM 63 O GLY A 5 -2.687 -9.378 -11.322 1.00 24.31 O ATOM 0 HA2 GLY A 5 -3.880 -10.068 -8.970 1.00 23.24 H new ATOM 0 HA3 GLY A 5 -4.360 -11.150 -10.262 1.00 23.24 H new ATOM 67 N ASP A 6 -4.587 -8.162 -11.332 1.00 61.34 N ATOM 68 CA ASP A 6 -4.069 -7.221 -12.303 1.00 73.13 C ATOM 69 C ASP A 6 -3.403 -6.131 -11.524 1.00 64.04 C ATOM 70 O ASP A 6 -3.810 -5.822 -10.391 1.00 10.24 O ATOM 71 CB ASP A 6 -5.149 -6.596 -13.221 1.00 63.10 C ATOM 72 CG ASP A 6 -4.482 -5.909 -14.395 1.00 3.41 C ATOM 73 OD1 ASP A 6 -3.754 -6.590 -15.142 1.00 4.12 O ATOM 74 OD2 ASP A 6 -4.711 -4.711 -14.602 1.00 65.02 O ATOM 0 H ASP A 6 -5.538 -7.973 -11.015 1.00 61.34 H new ATOM 0 HA ASP A 6 -3.392 -7.757 -12.968 1.00 73.13 H new ATOM 0 HB2 ASP A 6 -5.829 -7.369 -13.578 1.00 63.10 H new ATOM 0 HB3 ASP A 6 -5.748 -5.879 -12.659 1.00 63.10 H new ATOM 79 N ILE A 7 -2.338 -5.570 -12.093 1.00 73.30 N ATOM 80 CA ILE A 7 -1.526 -4.612 -11.404 1.00 51.21 C ATOM 81 C ILE A 7 -2.005 -3.255 -11.838 1.00 43.12 C ATOM 82 O ILE A 7 -2.112 -2.977 -13.043 1.00 34.43 O ATOM 83 CB ILE A 7 -0.049 -4.738 -11.790 1.00 75.23 C ATOM 84 CG1 ILE A 7 0.439 -6.200 -11.777 1.00 61.43 C ATOM 85 CG2 ILE A 7 0.805 -3.747 -10.972 1.00 53.00 C ATOM 86 CD1 ILE A 7 0.555 -6.774 -10.418 1.00 25.22 C ATOM 0 H ILE A 7 -2.028 -5.777 -13.042 1.00 73.30 H new ATOM 0 HA ILE A 7 -1.609 -4.772 -10.329 1.00 51.21 H new ATOM 0 HB ILE A 7 0.075 -4.443 -12.832 1.00 75.23 H new ATOM 0 HG12 ILE A 7 -0.250 -6.809 -12.362 1.00 61.43 H new ATOM 0 HG13 ILE A 7 1.410 -6.255 -12.269 1.00 61.43 H new ATOM 0 HG21 ILE A 7 1.852 -3.848 -11.257 1.00 53.00 H new ATOM 0 HG22 ILE A 7 0.471 -2.729 -11.171 1.00 53.00 H new ATOM 0 HG23 ILE A 7 0.696 -3.963 -9.909 1.00 53.00 H new ATOM 0 HD11 ILE A 7 0.903 -7.805 -10.487 1.00 25.22 H new ATOM 0 HD12 ILE A 7 1.266 -6.189 -9.835 1.00 25.22 H new ATOM 0 HD13 ILE A 7 -0.419 -6.752 -9.929 1.00 25.22 H new ATOM 98 N PHE A 8 -2.291 -2.365 -10.873 1.00 4.10 N ATOM 99 CA PHE A 8 -2.622 -1.005 -11.215 1.00 70.03 C ATOM 100 C PHE A 8 -1.802 -0.133 -10.335 1.00 32.41 C ATOM 101 O PHE A 8 -1.440 -0.509 -9.228 1.00 3.31 O ATOM 102 CB PHE A 8 -4.144 -0.587 -11.151 1.00 2.22 C ATOM 103 CG PHE A 8 -4.764 -0.857 -9.794 1.00 2.33 C ATOM 104 CD1 PHE A 8 -4.993 -2.185 -9.348 1.00 74.25 C ATOM 105 CD2 PHE A 8 -5.192 0.223 -8.969 1.00 34.21 C ATOM 106 CE1 PHE A 8 -5.623 -2.424 -8.115 1.00 3.45 C ATOM 107 CE2 PHE A 8 -5.839 -0.027 -7.742 1.00 21.53 C ATOM 108 CZ PHE A 8 -6.054 -1.348 -7.316 1.00 14.42 C ATOM 0 H PHE A 8 -2.296 -2.573 -9.874 1.00 4.10 H new ATOM 0 HA PHE A 8 -2.400 -0.892 -12.276 1.00 70.03 H new ATOM 0 HB2 PHE A 8 -4.236 0.474 -11.384 1.00 2.22 H new ATOM 0 HB3 PHE A 8 -4.699 -1.131 -11.915 1.00 2.22 H new ATOM 0 HD1 PHE A 8 -4.681 -3.018 -9.961 1.00 74.25 H new ATOM 0 HD2 PHE A 8 -5.019 1.241 -9.286 1.00 34.21 H new ATOM 0 HE1 PHE A 8 -5.777 -3.439 -7.778 1.00 3.45 H new ATOM 0 HE2 PHE A 8 -6.170 0.798 -7.129 1.00 21.53 H new ATOM 0 HZ PHE A 8 -6.550 -1.538 -6.376 1.00 14.42 H new ATOM 118 N GLU A 9 -1.436 1.037 -10.854 1.00 64.21 N ATOM 119 CA GLU A 9 -0.605 1.941 -10.121 1.00 54.21 C ATOM 120 C GLU A 9 -1.468 3.067 -9.716 1.00 21.34 C ATOM 121 O GLU A 9 -2.403 3.424 -10.441 1.00 13.31 O ATOM 122 CB GLU A 9 0.554 2.517 -10.957 1.00 44.52 C ATOM 123 CG GLU A 9 1.292 1.439 -11.766 1.00 20.10 C ATOM 124 CD GLU A 9 2.544 2.034 -12.357 1.00 71.24 C ATOM 125 OE1 GLU A 9 2.871 3.190 -12.038 1.00 25.45 O ATOM 126 OE2 GLU A 9 3.221 1.334 -13.133 1.00 45.03 O ATOM 0 H GLU A 9 -1.710 1.366 -11.780 1.00 64.21 H new ATOM 0 HA GLU A 9 -0.162 1.400 -9.285 1.00 54.21 H new ATOM 0 HB2 GLU A 9 0.165 3.274 -11.638 1.00 44.52 H new ATOM 0 HB3 GLU A 9 1.261 3.017 -10.295 1.00 44.52 H new ATOM 0 HG2 GLU A 9 1.544 0.595 -11.124 1.00 20.10 H new ATOM 0 HG3 GLU A 9 0.648 1.057 -12.558 1.00 20.10 H new ATOM 133 N VAL A 10 -1.180 3.678 -8.568 1.00 62.14 N ATOM 134 CA VAL A 10 -1.885 4.855 -8.199 1.00 23.41 C ATOM 135 C VAL A 10 -0.888 5.767 -7.595 1.00 33.03 C ATOM 136 O VAL A 10 0.132 5.336 -7.032 1.00 20.34 O ATOM 137 CB VAL A 10 -3.050 4.661 -7.225 1.00 52.12 C ATOM 138 CG1 VAL A 10 -4.121 3.781 -7.919 1.00 5.43 C ATOM 139 CG2 VAL A 10 -2.529 4.069 -5.897 1.00 54.22 C ATOM 0 H VAL A 10 -0.472 3.367 -7.903 1.00 62.14 H new ATOM 0 HA VAL A 10 -2.355 5.245 -9.102 1.00 23.41 H new ATOM 0 HB VAL A 10 -3.519 5.610 -6.967 1.00 52.12 H new ATOM 0 HG11 VAL A 10 -4.962 3.629 -7.242 1.00 5.43 H new ATOM 0 HG12 VAL A 10 -4.469 4.278 -8.825 1.00 5.43 H new ATOM 0 HG13 VAL A 10 -3.686 2.816 -8.179 1.00 5.43 H new ATOM 0 HG21 VAL A 10 -3.362 3.933 -5.208 1.00 54.22 H new ATOM 0 HG22 VAL A 10 -2.056 3.106 -6.089 1.00 54.22 H new ATOM 0 HG23 VAL A 10 -1.801 4.750 -5.456 1.00 54.22 H new ATOM 149 N GLU A 11 -1.148 7.042 -7.734 1.00 50.44 N ATOM 150 CA GLU A 11 -0.391 8.034 -7.070 1.00 23.03 C ATOM 151 C GLU A 11 -1.367 8.751 -6.246 1.00 44.14 C ATOM 152 O GLU A 11 -2.507 8.933 -6.656 1.00 3.34 O ATOM 153 CB GLU A 11 0.299 8.998 -8.039 1.00 51.14 C ATOM 154 CG GLU A 11 -0.643 9.646 -9.057 1.00 2.33 C ATOM 155 CD GLU A 11 0.199 10.205 -10.167 1.00 23.52 C ATOM 156 OE1 GLU A 11 1.126 10.987 -9.872 1.00 2.43 O ATOM 157 OE2 GLU A 11 -0.038 9.842 -11.337 1.00 72.33 O ATOM 0 H GLU A 11 -1.899 7.408 -8.319 1.00 50.44 H new ATOM 0 HA GLU A 11 0.416 7.586 -6.490 1.00 23.03 H new ATOM 0 HB2 GLU A 11 0.790 9.783 -7.464 1.00 51.14 H new ATOM 0 HB3 GLU A 11 1.080 8.459 -8.575 1.00 51.14 H new ATOM 0 HG2 GLU A 11 -1.350 8.912 -9.445 1.00 2.33 H new ATOM 0 HG3 GLU A 11 -1.229 10.436 -8.587 1.00 2.33 H new ATOM 164 N LEU A 12 -0.988 9.083 -5.025 1.00 3.44 N ATOM 165 CA LEU A 12 -1.937 9.656 -4.141 1.00 23.23 C ATOM 166 C LEU A 12 -1.212 10.588 -3.259 1.00 12.22 C ATOM 167 O LEU A 12 -0.057 10.352 -2.904 1.00 52.21 O ATOM 168 CB LEU A 12 -2.651 8.582 -3.293 1.00 2.43 C ATOM 169 CG LEU A 12 -4.177 8.733 -3.243 1.00 32.04 C ATOM 170 CD1 LEU A 12 -4.838 7.413 -2.887 1.00 63.15 C ATOM 171 CD2 LEU A 12 -4.647 9.881 -2.348 1.00 73.34 C ATOM 0 H LEU A 12 -0.049 8.962 -4.646 1.00 3.44 H new ATOM 0 HA LEU A 12 -2.706 10.170 -4.718 1.00 23.23 H new ATOM 0 HB2 LEU A 12 -2.407 7.598 -3.693 1.00 2.43 H new ATOM 0 HB3 LEU A 12 -2.260 8.618 -2.276 1.00 2.43 H new ATOM 0 HG LEU A 12 -4.499 9.010 -4.247 1.00 32.04 H new ATOM 0 HD11 LEU A 12 -5.920 7.544 -2.857 1.00 63.15 H new ATOM 0 HD12 LEU A 12 -4.584 6.665 -3.638 1.00 63.15 H new ATOM 0 HD13 LEU A 12 -4.486 7.081 -1.910 1.00 63.15 H new ATOM 0 HD21 LEU A 12 -5.736 9.929 -2.360 1.00 73.34 H new ATOM 0 HD22 LEU A 12 -4.302 9.712 -1.328 1.00 73.34 H new ATOM 0 HD23 LEU A 12 -4.238 10.821 -2.718 1.00 73.34 H new ATOM 183 N ALA A 13 -1.879 11.696 -2.902 1.00 73.31 N ATOM 184 CA ALA A 13 -1.279 12.690 -2.077 1.00 32.30 C ATOM 185 C ALA A 13 -1.433 12.208 -0.684 1.00 63.21 C ATOM 186 O ALA A 13 -2.527 11.910 -0.248 1.00 63.13 O ATOM 187 CB ALA A 13 -1.937 14.072 -2.189 1.00 22.31 C ATOM 0 H ALA A 13 -2.837 11.903 -3.186 1.00 73.31 H new ATOM 0 HA ALA A 13 -0.243 12.823 -2.389 1.00 32.30 H new ATOM 0 HB1 ALA A 13 -1.424 14.774 -1.531 1.00 22.31 H new ATOM 0 HB2 ALA A 13 -1.870 14.424 -3.218 1.00 22.31 H new ATOM 0 HB3 ALA A 13 -2.985 14.001 -1.897 1.00 22.31 H new ATOM 193 N LYS A 14 -0.308 12.089 0.018 1.00 23.31 N ATOM 194 CA LYS A 14 -0.258 11.501 1.343 1.00 51.02 C ATOM 195 C LYS A 14 -0.904 12.445 2.324 1.00 11.33 C ATOM 196 O LYS A 14 -1.403 12.016 3.363 1.00 23.44 O ATOM 197 CB LYS A 14 1.210 11.245 1.733 1.00 31.54 C ATOM 198 CG LYS A 14 1.477 10.779 3.154 1.00 20.45 C ATOM 199 CD LYS A 14 2.841 10.074 3.296 1.00 60.33 C ATOM 200 CE LYS A 14 3.992 10.816 2.590 1.00 51.45 C ATOM 201 NZ LYS A 14 5.240 10.050 2.646 1.00 13.31 N ATOM 0 H LYS A 14 0.600 12.403 -0.325 1.00 23.31 H new ATOM 0 HA LYS A 14 -0.795 10.552 1.353 1.00 51.02 H new ATOM 0 HB2 LYS A 14 1.616 10.499 1.050 1.00 31.54 H new ATOM 0 HB3 LYS A 14 1.769 12.166 1.568 1.00 31.54 H new ATOM 0 HG2 LYS A 14 1.442 11.636 3.827 1.00 20.45 H new ATOM 0 HG3 LYS A 14 0.685 10.098 3.465 1.00 20.45 H new ATOM 0 HD2 LYS A 14 3.080 9.972 4.355 1.00 60.33 H new ATOM 0 HD3 LYS A 14 2.765 9.066 2.888 1.00 60.33 H new ATOM 0 HE2 LYS A 14 3.723 11.000 1.550 1.00 51.45 H new ATOM 0 HE3 LYS A 14 4.140 11.789 3.058 1.00 51.45 H new ATOM 0 HZ1 LYS A 14 6.030 10.649 2.332 1.00 13.31 H new ATOM 0 HZ2 LYS A 14 5.411 9.736 3.623 1.00 13.31 H new ATOM 0 HZ3 LYS A 14 5.166 9.220 2.023 1.00 13.31 H new ATOM 215 N ASN A 15 -0.956 13.740 1.959 1.00 45.04 N ATOM 216 CA ASN A 15 -1.549 14.794 2.785 1.00 73.24 C ATOM 217 C ASN A 15 -0.640 15.105 3.943 1.00 64.41 C ATOM 218 O ASN A 15 -0.515 14.327 4.883 1.00 44.43 O ATOM 219 CB ASN A 15 -3.000 14.538 3.309 1.00 61.13 C ATOM 220 CG ASN A 15 -3.537 15.839 3.912 1.00 14.55 C ATOM 221 OD1 ASN A 15 -3.907 16.769 3.182 1.00 0.42 O ATOM 222 ND2 ASN A 15 -3.581 15.932 5.252 1.00 24.12 N ATOM 0 H ASN A 15 -0.582 14.081 1.073 1.00 45.04 H new ATOM 0 HA ASN A 15 -1.651 15.642 2.108 1.00 73.24 H new ATOM 0 HB2 ASN A 15 -3.643 14.204 2.495 1.00 61.13 H new ATOM 0 HB3 ASN A 15 -2.998 13.746 4.058 1.00 61.13 H new ATOM 0 HD21 ASN A 15 -3.926 16.785 5.693 1.00 24.12 H new ATOM 0 HD22 ASN A 15 -3.270 15.150 5.828 1.00 24.12 H new ATOM 229 N ASP A 16 -0.009 16.301 3.891 1.00 63.12 N ATOM 230 CA ASP A 16 0.858 16.831 4.958 1.00 12.40 C ATOM 231 C ASP A 16 1.849 15.794 5.400 1.00 42.43 C ATOM 232 O ASP A 16 1.989 15.536 6.595 1.00 31.52 O ATOM 233 CB ASP A 16 0.103 17.406 6.195 1.00 51.10 C ATOM 234 CG ASP A 16 -0.393 18.797 5.867 1.00 14.51 C ATOM 235 OD1 ASP A 16 -1.138 18.956 4.877 1.00 31.22 O ATOM 236 OD2 ASP A 16 -0.043 19.742 6.610 1.00 22.33 O ATOM 0 H ASP A 16 -0.092 16.931 3.093 1.00 63.12 H new ATOM 0 HA ASP A 16 1.371 17.679 4.505 1.00 12.40 H new ATOM 0 HB2 ASP A 16 -0.735 16.760 6.458 1.00 51.10 H new ATOM 0 HB3 ASP A 16 0.766 17.437 7.060 1.00 51.10 H new ATOM 241 N ASN A 17 2.587 15.237 4.403 1.00 65.15 N ATOM 242 CA ASN A 17 3.741 14.304 4.580 1.00 4.10 C ATOM 243 C ASN A 17 3.472 13.062 5.451 1.00 3.44 C ATOM 244 O ASN A 17 4.328 12.174 5.508 1.00 43.41 O ATOM 245 CB ASN A 17 5.025 15.003 5.100 1.00 52.54 C ATOM 246 CG ASN A 17 5.507 15.987 4.037 1.00 2.53 C ATOM 247 OD1 ASN A 17 6.168 15.593 3.070 1.00 51.51 O ATOM 248 ND2 ASN A 17 5.179 17.284 4.194 1.00 71.44 N ATOM 0 H ASN A 17 2.392 15.429 3.421 1.00 65.15 H new ATOM 0 HA ASN A 17 3.897 13.954 3.560 1.00 4.10 H new ATOM 0 HB2 ASN A 17 4.820 15.526 6.034 1.00 52.54 H new ATOM 0 HB3 ASN A 17 5.799 14.265 5.311 1.00 52.54 H new ATOM 0 HD21 ASN A 17 5.477 17.973 3.503 1.00 71.44 H new ATOM 0 HD22 ASN A 17 4.632 17.577 5.004 1.00 71.44 H new ATOM 255 N SER A 18 2.322 12.956 6.125 1.00 1.34 N ATOM 256 CA SER A 18 2.085 11.878 7.014 1.00 14.11 C ATOM 257 C SER A 18 0.742 11.319 6.688 1.00 75.21 C ATOM 258 O SER A 18 -0.245 12.051 6.618 1.00 24.22 O ATOM 259 CB SER A 18 2.028 12.333 8.478 1.00 21.54 C ATOM 260 OG SER A 18 3.259 12.944 8.879 1.00 62.21 O ATOM 0 H SER A 18 1.553 13.622 6.052 1.00 1.34 H new ATOM 0 HA SER A 18 2.897 11.160 6.900 1.00 14.11 H new ATOM 0 HB2 SER A 18 1.208 13.039 8.610 1.00 21.54 H new ATOM 0 HB3 SER A 18 1.818 11.477 9.120 1.00 21.54 H new ATOM 0 HG SER A 18 3.194 13.226 9.815 1.00 62.21 H new ATOM 266 N LEU A 19 0.673 9.997 6.523 1.00 72.31 N ATOM 267 CA LEU A 19 -0.589 9.309 6.432 1.00 41.04 C ATOM 268 C LEU A 19 -0.627 8.452 7.647 1.00 71.24 C ATOM 269 O LEU A 19 0.316 8.479 8.457 1.00 64.13 O ATOM 270 CB LEU A 19 -0.772 8.438 5.137 1.00 31.32 C ATOM 271 CG LEU A 19 0.452 7.558 4.713 1.00 12.42 C ATOM 272 CD1 LEU A 19 0.768 6.382 5.657 1.00 64.33 C ATOM 273 CD2 LEU A 19 0.343 7.095 3.245 1.00 41.04 C ATOM 0 H LEU A 19 1.489 9.390 6.451 1.00 72.31 H new ATOM 0 HA LEU A 19 -1.402 10.032 6.370 1.00 41.04 H new ATOM 0 HB2 LEU A 19 -1.630 7.782 5.284 1.00 31.32 H new ATOM 0 HB3 LEU A 19 -1.018 9.103 4.309 1.00 31.32 H new ATOM 0 HG LEU A 19 1.311 8.223 4.803 1.00 12.42 H new ATOM 0 HD11 LEU A 19 1.631 5.833 5.279 1.00 64.33 H new ATOM 0 HD12 LEU A 19 0.990 6.765 6.653 1.00 64.33 H new ATOM 0 HD13 LEU A 19 -0.092 5.715 5.708 1.00 64.33 H new ATOM 0 HD21 LEU A 19 1.211 6.487 2.990 1.00 41.04 H new ATOM 0 HD22 LEU A 19 -0.564 6.504 3.116 1.00 41.04 H new ATOM 0 HD23 LEU A 19 0.305 7.966 2.591 1.00 41.04 H new ATOM 285 N GLY A 20 -1.694 7.690 7.839 1.00 34.54 N ATOM 286 CA GLY A 20 -1.767 6.834 8.994 1.00 34.41 C ATOM 287 C GLY A 20 -2.644 5.706 8.629 1.00 14.21 C ATOM 288 O GLY A 20 -3.610 5.408 9.318 1.00 11.55 O ATOM 0 H GLY A 20 -2.502 7.652 7.218 1.00 34.54 H new ATOM 0 HA2 GLY A 20 -0.776 6.479 9.276 1.00 34.41 H new ATOM 0 HA3 GLY A 20 -2.168 7.374 9.852 1.00 34.41 H new ATOM 292 N ILE A 21 -2.312 5.045 7.516 1.00 0.13 N ATOM 293 CA ILE A 21 -3.054 3.895 7.053 1.00 55.22 C ATOM 294 C ILE A 21 -2.405 2.708 7.762 1.00 11.34 C ATOM 295 O ILE A 21 -1.433 2.897 8.507 1.00 22.24 O ATOM 296 CB ILE A 21 -2.982 3.739 5.523 1.00 10.43 C ATOM 297 CG1 ILE A 21 -3.000 5.144 4.860 1.00 1.25 C ATOM 298 CG2 ILE A 21 -4.163 2.863 5.031 1.00 63.04 C ATOM 299 CD1 ILE A 21 -3.100 5.104 3.342 1.00 5.30 C ATOM 0 H ILE A 21 -1.523 5.300 6.921 1.00 0.13 H new ATOM 0 HA ILE A 21 -4.117 3.984 7.279 1.00 55.22 H new ATOM 0 HB ILE A 21 -2.055 3.241 5.241 1.00 10.43 H new ATOM 0 HG12 ILE A 21 -3.842 5.712 5.256 1.00 1.25 H new ATOM 0 HG13 ILE A 21 -2.094 5.680 5.141 1.00 1.25 H new ATOM 0 HG21 ILE A 21 -4.109 2.755 3.948 1.00 63.04 H new ATOM 0 HG22 ILE A 21 -4.105 1.880 5.497 1.00 63.04 H new ATOM 0 HG23 ILE A 21 -5.106 3.338 5.302 1.00 63.04 H new ATOM 0 HD11 ILE A 21 -3.107 6.121 2.951 1.00 5.30 H new ATOM 0 HD12 ILE A 21 -2.244 4.565 2.935 1.00 5.30 H new ATOM 0 HD13 ILE A 21 -4.020 4.597 3.051 1.00 5.30 H new ATOM 311 N CYS A 22 -2.921 1.475 7.584 1.00 42.31 N ATOM 312 CA CYS A 22 -2.321 0.359 8.300 1.00 10.50 C ATOM 313 C CYS A 22 -2.335 -0.789 7.367 1.00 42.21 C ATOM 314 O CYS A 22 -2.902 -0.718 6.282 1.00 14.54 O ATOM 315 CB CYS A 22 -3.152 -0.078 9.544 1.00 32.01 C ATOM 316 SG CYS A 22 -3.330 1.246 10.798 1.00 4.30 S ATOM 0 H CYS A 22 -3.711 1.244 6.981 1.00 42.31 H new ATOM 0 HA CYS A 22 -1.329 0.660 8.637 1.00 10.50 H new ATOM 0 HB2 CYS A 22 -4.142 -0.395 9.218 1.00 32.01 H new ATOM 0 HB3 CYS A 22 -2.676 -0.944 10.005 1.00 32.01 H new ATOM 0 HG CYS A 22 -2.680 2.302 10.409 1.00 4.30 H new ATOM 321 N VAL A 23 -1.588 -1.845 7.735 1.00 42.05 N ATOM 322 CA VAL A 23 -1.305 -2.904 6.828 1.00 11.55 C ATOM 323 C VAL A 23 -1.181 -4.159 7.641 1.00 32.12 C ATOM 324 O VAL A 23 -1.195 -4.121 8.874 1.00 24.34 O ATOM 325 CB VAL A 23 -0.002 -2.710 6.058 1.00 35.21 C ATOM 326 CG1 VAL A 23 -0.214 -1.617 4.980 1.00 23.34 C ATOM 327 CG2 VAL A 23 1.152 -2.391 7.048 1.00 32.04 C ATOM 0 H VAL A 23 -1.181 -1.962 8.663 1.00 42.05 H new ATOM 0 HA VAL A 23 -2.109 -2.942 6.093 1.00 11.55 H new ATOM 0 HB VAL A 23 0.287 -3.623 5.538 1.00 35.21 H new ATOM 0 HG11 VAL A 23 0.712 -1.470 4.424 1.00 23.34 H new ATOM 0 HG12 VAL A 23 -1.003 -1.929 4.296 1.00 23.34 H new ATOM 0 HG13 VAL A 23 -0.500 -0.682 5.461 1.00 23.34 H new ATOM 0 HG21 VAL A 23 2.080 -2.253 6.493 1.00 32.04 H new ATOM 0 HG22 VAL A 23 0.919 -1.479 7.597 1.00 32.04 H new ATOM 0 HG23 VAL A 23 1.268 -3.217 7.750 1.00 32.04 H new ATOM 337 N THR A 24 -1.061 -5.284 6.941 1.00 43.34 N ATOM 338 CA THR A 24 -0.879 -6.555 7.564 1.00 44.54 C ATOM 339 C THR A 24 -0.172 -7.373 6.517 1.00 50.33 C ATOM 340 O THR A 24 -0.183 -7.004 5.347 1.00 31.31 O ATOM 341 CB THR A 24 -2.209 -7.220 8.026 1.00 72.05 C ATOM 342 OG1 THR A 24 -2.013 -8.530 8.592 1.00 62.15 O ATOM 343 CG2 THR A 24 -3.216 -7.286 6.852 1.00 71.42 C ATOM 0 H THR A 24 -1.090 -5.320 5.922 1.00 43.34 H new ATOM 0 HA THR A 24 -0.311 -6.466 8.490 1.00 44.54 H new ATOM 0 HB THR A 24 -2.616 -6.592 8.818 1.00 72.05 H new ATOM 0 HG1 THR A 24 -2.878 -8.901 8.866 1.00 62.15 H new ATOM 0 HG21 THR A 24 -4.140 -7.753 7.191 1.00 71.42 H new ATOM 0 HG22 THR A 24 -3.428 -6.277 6.498 1.00 71.42 H new ATOM 0 HG23 THR A 24 -2.789 -7.874 6.039 1.00 71.42 H new ATOM 351 N GLY A 25 0.484 -8.475 6.926 1.00 11.10 N ATOM 352 CA GLY A 25 1.226 -9.299 5.994 1.00 12.51 C ATOM 353 C GLY A 25 2.615 -8.789 5.937 1.00 13.53 C ATOM 354 O GLY A 25 3.024 -8.004 6.796 1.00 53.40 O ATOM 0 H GLY A 25 0.507 -8.802 7.892 1.00 11.10 H new ATOM 0 HA2 GLY A 25 1.216 -10.341 6.315 1.00 12.51 H new ATOM 0 HA3 GLY A 25 0.767 -9.265 5.006 1.00 12.51 H new ATOM 358 N GLY A 26 3.389 -9.215 4.899 1.00 33.35 N ATOM 359 CA GLY A 26 4.728 -8.695 4.711 1.00 15.11 C ATOM 360 C GLY A 26 5.638 -9.831 4.450 1.00 2.22 C ATOM 361 O GLY A 26 5.870 -10.203 3.296 1.00 61.03 O ATOM 0 H GLY A 26 3.095 -9.903 4.206 1.00 33.35 H new ATOM 0 HA2 GLY A 26 4.749 -7.993 3.877 1.00 15.11 H new ATOM 0 HA3 GLY A 26 5.050 -8.147 5.597 1.00 15.11 H new ATOM 365 N VAL A 27 6.198 -10.420 5.540 1.00 41.02 N ATOM 366 CA VAL A 27 7.252 -11.444 5.434 1.00 12.32 C ATOM 367 C VAL A 27 6.688 -12.780 4.930 1.00 31.41 C ATOM 368 O VAL A 27 7.311 -13.816 5.096 1.00 22.01 O ATOM 369 CB VAL A 27 8.062 -11.680 6.714 1.00 33.50 C ATOM 370 CG1 VAL A 27 9.536 -11.899 6.298 1.00 41.32 C ATOM 371 CG2 VAL A 27 7.877 -10.491 7.669 1.00 13.03 C ATOM 0 H VAL A 27 5.931 -10.197 6.499 1.00 41.02 H new ATOM 0 HA VAL A 27 7.950 -11.030 4.706 1.00 12.32 H new ATOM 0 HB VAL A 27 7.721 -12.563 7.255 1.00 33.50 H new ATOM 0 HG11 VAL A 27 10.143 -12.070 7.187 1.00 41.32 H new ATOM 0 HG12 VAL A 27 9.603 -12.765 5.640 1.00 41.32 H new ATOM 0 HG13 VAL A 27 9.901 -11.016 5.774 1.00 41.32 H new ATOM 0 HG21 VAL A 27 8.454 -10.661 8.578 1.00 13.03 H new ATOM 0 HG22 VAL A 27 8.224 -9.578 7.185 1.00 13.03 H new ATOM 0 HG23 VAL A 27 6.822 -10.389 7.923 1.00 13.03 H new ATOM 381 N ASN A 28 5.480 -12.754 4.340 1.00 71.40 N ATOM 382 CA ASN A 28 4.823 -13.923 3.736 1.00 51.31 C ATOM 383 C ASN A 28 4.085 -14.668 4.806 1.00 1.12 C ATOM 384 O ASN A 28 3.536 -15.724 4.563 1.00 65.45 O ATOM 385 CB ASN A 28 5.762 -14.895 2.950 1.00 63.04 C ATOM 386 CG ASN A 28 4.958 -15.614 1.862 1.00 71.21 C ATOM 387 OD1 ASN A 28 4.509 -14.985 0.904 1.00 61.21 O ATOM 388 ND2 ASN A 28 4.781 -16.943 1.988 1.00 71.43 N ATOM 0 H ASN A 28 4.923 -11.902 4.269 1.00 71.40 H new ATOM 0 HA ASN A 28 4.147 -13.528 2.978 1.00 51.31 H new ATOM 0 HB2 ASN A 28 6.585 -14.339 2.501 1.00 63.04 H new ATOM 0 HB3 ASN A 28 6.203 -15.622 3.632 1.00 63.04 H new ATOM 0 HD21 ASN A 28 4.262 -17.458 1.277 1.00 71.43 H new ATOM 0 HD22 ASN A 28 5.166 -17.435 2.794 1.00 71.43 H new ATOM 395 N THR A 29 4.067 -14.066 6.024 1.00 63.11 N ATOM 396 CA THR A 29 3.245 -14.461 7.178 1.00 24.31 C ATOM 397 C THR A 29 1.746 -14.758 6.793 1.00 14.44 C ATOM 398 O THR A 29 1.386 -14.882 5.636 1.00 21.31 O ATOM 399 CB THR A 29 3.362 -13.426 8.334 1.00 44.33 C ATOM 400 OG1 THR A 29 2.755 -13.867 9.554 1.00 21.12 O ATOM 401 CG2 THR A 29 2.753 -12.074 7.889 1.00 24.22 C ATOM 0 H THR A 29 4.654 -13.257 6.228 1.00 63.11 H new ATOM 0 HA THR A 29 3.647 -15.407 7.541 1.00 24.31 H new ATOM 0 HB THR A 29 4.424 -13.307 8.547 1.00 44.33 H new ATOM 0 HG1 THR A 29 2.862 -13.177 10.241 1.00 21.12 H new ATOM 0 HG21 THR A 29 2.837 -11.352 8.701 1.00 24.22 H new ATOM 0 HG22 THR A 29 3.290 -11.702 7.016 1.00 24.22 H new ATOM 0 HG23 THR A 29 1.702 -12.214 7.635 1.00 24.22 H new ATOM 409 N SER A 30 0.908 -14.940 7.848 1.00 51.00 N ATOM 410 CA SER A 30 -0.438 -15.536 7.825 1.00 43.44 C ATOM 411 C SER A 30 -1.272 -15.123 6.637 1.00 0.12 C ATOM 412 O SER A 30 -2.015 -15.944 6.092 1.00 22.02 O ATOM 413 CB SER A 30 -1.225 -15.195 9.115 1.00 54.25 C ATOM 414 OG SER A 30 -1.154 -13.779 9.409 1.00 73.15 O ATOM 0 H SER A 30 1.178 -14.655 8.789 1.00 51.00 H new ATOM 0 HA SER A 30 -0.263 -16.609 7.752 1.00 43.44 H new ATOM 0 HB2 SER A 30 -2.267 -15.494 8.999 1.00 54.25 H new ATOM 0 HB3 SER A 30 -0.821 -15.764 9.952 1.00 54.25 H new ATOM 0 HG SER A 30 -1.660 -13.589 10.227 1.00 73.15 H new ATOM 420 N VAL A 31 -1.208 -13.839 6.251 1.00 34.40 N ATOM 421 CA VAL A 31 -2.073 -13.320 5.215 1.00 63.42 C ATOM 422 C VAL A 31 -1.909 -14.130 3.935 1.00 64.30 C ATOM 423 O VAL A 31 -0.812 -14.514 3.555 1.00 20.12 O ATOM 424 CB VAL A 31 -1.908 -11.853 4.943 1.00 64.41 C ATOM 425 CG1 VAL A 31 -2.186 -11.096 6.260 1.00 35.15 C ATOM 426 CG2 VAL A 31 -0.503 -11.593 4.385 1.00 3.22 C ATOM 0 H VAL A 31 -0.564 -13.154 6.647 1.00 34.40 H new ATOM 0 HA VAL A 31 -3.089 -13.428 5.595 1.00 63.42 H new ATOM 0 HB VAL A 31 -2.611 -11.496 4.190 1.00 64.41 H new ATOM 0 HG11 VAL A 31 -2.074 -10.025 6.094 1.00 35.15 H new ATOM 0 HG12 VAL A 31 -3.202 -11.307 6.594 1.00 35.15 H new ATOM 0 HG13 VAL A 31 -1.479 -11.421 7.023 1.00 35.15 H new ATOM 0 HG21 VAL A 31 -0.382 -10.528 4.187 1.00 3.22 H new ATOM 0 HG22 VAL A 31 0.243 -11.914 5.112 1.00 3.22 H new ATOM 0 HG23 VAL A 31 -0.370 -12.152 3.459 1.00 3.22 H new ATOM 436 N ARG A 32 -3.059 -14.446 3.322 1.00 64.21 N ATOM 437 CA ARG A 32 -3.182 -15.364 2.192 1.00 24.34 C ATOM 438 C ARG A 32 -2.061 -15.229 1.179 1.00 51.41 C ATOM 439 O ARG A 32 -1.276 -16.155 1.011 1.00 34.32 O ATOM 440 CB ARG A 32 -4.544 -15.249 1.481 1.00 13.24 C ATOM 441 CG ARG A 32 -5.778 -15.414 2.418 1.00 24.02 C ATOM 442 CD ARG A 32 -5.930 -16.810 3.073 1.00 25.20 C ATOM 443 NE ARG A 32 -4.884 -16.953 4.145 1.00 53.25 N ATOM 444 CZ ARG A 32 -4.324 -18.174 4.476 1.00 3.04 C ATOM 445 NH1 ARG A 32 -4.816 -19.342 3.952 1.00 23.33 N ATOM 446 NH2 ARG A 32 -3.271 -18.206 5.325 1.00 41.50 N ATOM 0 H ARG A 32 -3.955 -14.054 3.612 1.00 64.21 H new ATOM 0 HA ARG A 32 -3.106 -16.356 2.638 1.00 24.34 H new ATOM 0 HB2 ARG A 32 -4.603 -14.277 0.991 1.00 13.24 H new ATOM 0 HB3 ARG A 32 -4.595 -16.005 0.697 1.00 13.24 H new ATOM 0 HG2 ARG A 32 -5.717 -14.665 3.208 1.00 24.02 H new ATOM 0 HG3 ARG A 32 -6.680 -15.200 1.845 1.00 24.02 H new ATOM 0 HD2 ARG A 32 -6.927 -16.921 3.500 1.00 25.20 H new ATOM 0 HD3 ARG A 32 -5.814 -17.594 2.324 1.00 25.20 H new ATOM 0 HE ARG A 32 -4.577 -16.119 4.646 1.00 53.25 H new ATOM 0 HH11 ARG A 32 -5.606 -19.319 3.308 1.00 23.33 H new ATOM 0 HH12 ARG A 32 -4.391 -20.234 4.206 1.00 23.33 H new ATOM 0 HH21 ARG A 32 -2.901 -17.338 5.711 1.00 41.50 H new ATOM 0 HH22 ARG A 32 -2.847 -19.099 5.579 1.00 41.50 H new ATOM 460 N HIS A 33 -1.969 -14.090 0.458 1.00 54.24 N ATOM 461 CA HIS A 33 -0.963 -13.994 -0.614 1.00 1.14 C ATOM 462 C HIS A 33 0.398 -13.741 -0.018 1.00 21.32 C ATOM 463 O HIS A 33 1.392 -13.850 -0.715 1.00 14.24 O ATOM 464 CB HIS A 33 -1.221 -12.878 -1.660 1.00 54.34 C ATOM 465 CG HIS A 33 -0.277 -12.941 -2.844 1.00 24.53 C ATOM 466 ND1 HIS A 33 -0.429 -13.854 -3.846 1.00 3.50 N ATOM 467 CD2 HIS A 33 0.812 -12.198 -3.141 1.00 42.25 C ATOM 468 CE1 HIS A 33 0.542 -13.665 -4.736 1.00 32.14 C ATOM 469 NE2 HIS A 33 1.302 -12.657 -4.325 1.00 53.14 N ATOM 0 H HIS A 33 -2.550 -13.262 0.591 1.00 54.24 H new ATOM 0 HA HIS A 33 -1.026 -14.949 -1.135 1.00 1.14 H new ATOM 0 HB2 HIS A 33 -2.248 -12.954 -2.018 1.00 54.34 H new ATOM 0 HB3 HIS A 33 -1.123 -11.906 -1.177 1.00 54.34 H new ATOM 0 HD2 HIS A 33 1.218 -11.391 -2.549 1.00 42.25 H new ATOM 0 HE1 HIS A 33 0.687 -14.236 -5.641 1.00 32.14 H new ATOM 0 HE2 HIS A 33 2.117 -12.288 -4.815 1.00 53.14 H new ATOM 478 N GLY A 34 0.489 -13.372 1.279 1.00 23.34 N ATOM 479 CA GLY A 34 1.789 -13.185 1.909 1.00 15.21 C ATOM 480 C GLY A 34 2.193 -11.739 1.800 1.00 30.13 C ATOM 481 O GLY A 34 3.108 -11.281 2.488 1.00 53.35 O ATOM 0 H GLY A 34 -0.311 -13.204 1.889 1.00 23.34 H new ATOM 0 HA2 GLY A 34 1.744 -13.484 2.956 1.00 15.21 H new ATOM 0 HA3 GLY A 34 2.533 -13.819 1.428 1.00 15.21 H new ATOM 485 N GLY A 35 1.502 -10.993 0.933 1.00 55.13 N ATOM 486 CA GLY A 35 1.866 -9.621 0.615 1.00 24.25 C ATOM 487 C GLY A 35 1.357 -8.722 1.681 1.00 51.10 C ATOM 488 O GLY A 35 0.733 -9.166 2.636 1.00 61.21 O ATOM 0 H GLY A 35 0.677 -11.328 0.436 1.00 55.13 H new ATOM 0 HA2 GLY A 35 2.949 -9.529 0.532 1.00 24.25 H new ATOM 0 HA3 GLY A 35 1.447 -9.335 -0.350 1.00 24.25 H new ATOM 492 N ILE A 36 1.618 -7.415 1.519 1.00 3.24 N ATOM 493 CA ILE A 36 1.183 -6.441 2.425 1.00 14.04 C ATOM 494 C ILE A 36 -0.200 -6.104 1.956 1.00 72.30 C ATOM 495 O ILE A 36 -0.383 -5.657 0.823 1.00 71.24 O ATOM 496 CB ILE A 36 2.071 -5.202 2.331 1.00 43.30 C ATOM 497 CG1 ILE A 36 3.459 -5.508 2.937 1.00 23.02 C ATOM 498 CG2 ILE A 36 1.384 -3.999 2.991 1.00 71.51 C ATOM 499 CD1 ILE A 36 3.422 -5.704 4.429 1.00 20.54 C ATOM 0 H ILE A 36 2.147 -7.041 0.731 1.00 3.24 H new ATOM 0 HA ILE A 36 1.214 -6.785 3.459 1.00 14.04 H new ATOM 0 HB ILE A 36 2.226 -4.935 1.285 1.00 43.30 H new ATOM 0 HG12 ILE A 36 3.863 -6.405 2.469 1.00 23.02 H new ATOM 0 HG13 ILE A 36 4.140 -4.690 2.701 1.00 23.02 H new ATOM 0 HG21 ILE A 36 2.030 -3.124 2.915 1.00 71.51 H new ATOM 0 HG22 ILE A 36 0.439 -3.797 2.486 1.00 71.51 H new ATOM 0 HG23 ILE A 36 1.194 -4.220 4.041 1.00 71.51 H new ATOM 0 HD11 ILE A 36 4.427 -5.916 4.793 1.00 20.54 H new ATOM 0 HD12 ILE A 36 3.046 -4.799 4.906 1.00 20.54 H new ATOM 0 HD13 ILE A 36 2.765 -6.540 4.670 1.00 20.54 H new ATOM 511 N TYR A 37 -1.209 -6.349 2.793 1.00 64.45 N ATOM 512 CA TYR A 37 -2.562 -6.064 2.418 1.00 62.10 C ATOM 513 C TYR A 37 -2.910 -4.837 3.134 1.00 53.24 C ATOM 514 O TYR A 37 -2.351 -4.548 4.205 1.00 33.05 O ATOM 515 CB TYR A 37 -3.577 -7.124 2.904 1.00 24.13 C ATOM 516 CG TYR A 37 -3.512 -8.317 2.017 1.00 45.12 C ATOM 517 CD1 TYR A 37 -4.331 -8.381 0.879 1.00 44.11 C ATOM 518 CD2 TYR A 37 -2.684 -9.417 2.327 1.00 41.12 C ATOM 519 CE1 TYR A 37 -4.378 -9.532 0.091 1.00 33.02 C ATOM 520 CE2 TYR A 37 -2.717 -10.575 1.526 1.00 44.43 C ATOM 521 CZ TYR A 37 -3.595 -10.639 0.424 1.00 53.22 C ATOM 522 OH TYR A 37 -3.704 -11.819 -0.320 1.00 43.33 O ATOM 0 H TYR A 37 -1.099 -6.743 3.727 1.00 64.45 H new ATOM 0 HA TYR A 37 -2.613 -6.017 1.330 1.00 62.10 H new ATOM 0 HB2 TYR A 37 -3.356 -7.410 3.932 1.00 24.13 H new ATOM 0 HB3 TYR A 37 -4.584 -6.708 2.898 1.00 24.13 H new ATOM 0 HD1 TYR A 37 -4.934 -7.527 0.609 1.00 44.11 H new ATOM 0 HD2 TYR A 37 -2.024 -9.371 3.180 1.00 41.12 H new ATOM 0 HE1 TYR A 37 -5.020 -9.566 -0.777 1.00 33.02 H new ATOM 0 HE2 TYR A 37 -2.072 -11.411 1.755 1.00 44.43 H new ATOM 0 HH TYR A 37 -3.952 -11.602 -1.243 1.00 43.33 H new ATOM 532 N VAL A 38 -3.871 -4.077 2.593 1.00 74.01 N ATOM 533 CA VAL A 38 -4.364 -2.943 3.287 1.00 43.53 C ATOM 534 C VAL A 38 -5.341 -3.471 4.321 1.00 20.11 C ATOM 535 O VAL A 38 -6.471 -3.865 4.015 1.00 70.40 O ATOM 536 CB VAL A 38 -5.050 -1.957 2.372 1.00 0.12 C ATOM 537 CG1 VAL A 38 -5.544 -0.758 3.198 1.00 24.53 C ATOM 538 CG2 VAL A 38 -4.031 -1.555 1.277 1.00 63.51 C ATOM 0 H VAL A 38 -4.301 -4.247 1.684 1.00 74.01 H new ATOM 0 HA VAL A 38 -3.537 -2.398 3.743 1.00 43.53 H new ATOM 0 HB VAL A 38 -5.928 -2.386 1.888 1.00 0.12 H new ATOM 0 HG11 VAL A 38 -6.040 -0.043 2.541 1.00 24.53 H new ATOM 0 HG12 VAL A 38 -6.247 -1.103 3.956 1.00 24.53 H new ATOM 0 HG13 VAL A 38 -4.695 -0.276 3.683 1.00 24.53 H new ATOM 0 HG21 VAL A 38 -4.493 -0.841 0.595 1.00 63.51 H new ATOM 0 HG22 VAL A 38 -3.157 -1.099 1.743 1.00 63.51 H new ATOM 0 HG23 VAL A 38 -3.725 -2.442 0.722 1.00 63.51 H new ATOM 548 N LYS A 39 -4.849 -3.511 5.561 1.00 53.33 N ATOM 549 CA LYS A 39 -5.558 -4.056 6.697 1.00 50.25 C ATOM 550 C LYS A 39 -6.688 -3.144 7.074 1.00 72.50 C ATOM 551 O LYS A 39 -7.783 -3.600 7.404 1.00 12.33 O ATOM 552 CB LYS A 39 -4.603 -4.116 7.919 1.00 22.24 C ATOM 553 CG LYS A 39 -5.148 -4.826 9.150 1.00 64.22 C ATOM 554 CD LYS A 39 -4.242 -4.646 10.380 1.00 4.24 C ATOM 555 CE LYS A 39 -4.847 -5.174 11.688 1.00 52.42 C ATOM 556 NZ LYS A 39 -6.118 -4.490 11.995 1.00 44.42 N ATOM 0 H LYS A 39 -3.923 -3.154 5.798 1.00 53.33 H new ATOM 0 HA LYS A 39 -5.927 -5.047 6.432 1.00 50.25 H new ATOM 0 HB2 LYS A 39 -3.683 -4.614 7.613 1.00 22.24 H new ATOM 0 HB3 LYS A 39 -4.336 -3.097 8.199 1.00 22.24 H new ATOM 0 HG2 LYS A 39 -6.143 -4.443 9.376 1.00 64.22 H new ATOM 0 HG3 LYS A 39 -5.257 -5.889 8.935 1.00 64.22 H new ATOM 0 HD2 LYS A 39 -3.296 -5.156 10.198 1.00 4.24 H new ATOM 0 HD3 LYS A 39 -4.016 -3.586 10.499 1.00 4.24 H new ATOM 0 HE2 LYS A 39 -5.018 -6.248 11.607 1.00 52.42 H new ATOM 0 HE3 LYS A 39 -4.142 -5.024 12.506 1.00 52.42 H new ATOM 0 HZ1 LYS A 39 -6.386 -4.683 12.981 1.00 44.42 H new ATOM 0 HZ2 LYS A 39 -6.002 -3.465 11.862 1.00 44.42 H new ATOM 0 HZ3 LYS A 39 -6.863 -4.840 11.359 1.00 44.42 H new ATOM 570 N ALA A 40 -6.446 -1.841 7.054 1.00 52.03 N ATOM 571 CA ALA A 40 -7.433 -0.928 7.531 1.00 15.10 C ATOM 572 C ALA A 40 -7.115 0.350 6.903 1.00 74.12 C ATOM 573 O ALA A 40 -5.941 0.672 6.721 1.00 1.04 O ATOM 574 CB ALA A 40 -7.393 -0.709 9.064 1.00 63.42 C ATOM 0 H ALA A 40 -5.584 -1.413 6.715 1.00 52.03 H new ATOM 0 HA ALA A 40 -8.420 -1.326 7.294 1.00 15.10 H new ATOM 0 HB1 ALA A 40 -8.172 -0.003 9.351 1.00 63.42 H new ATOM 0 HB2 ALA A 40 -7.559 -1.659 9.572 1.00 63.42 H new ATOM 0 HB3 ALA A 40 -6.419 -0.311 9.349 1.00 63.42 H new ATOM 580 N VAL A 41 -8.149 1.122 6.546 1.00 23.23 N ATOM 581 CA VAL A 41 -7.946 2.431 6.043 1.00 52.33 C ATOM 582 C VAL A 41 -8.690 3.297 7.004 1.00 61.11 C ATOM 583 O VAL A 41 -9.829 2.982 7.385 1.00 53.31 O ATOM 584 CB VAL A 41 -8.523 2.647 4.638 1.00 74.13 C ATOM 585 CG1 VAL A 41 -8.026 4.003 4.083 1.00 52.11 C ATOM 586 CG2 VAL A 41 -8.101 1.464 3.750 1.00 40.54 C ATOM 0 H VAL A 41 -9.126 0.836 6.607 1.00 23.23 H new ATOM 0 HA VAL A 41 -6.880 2.643 5.956 1.00 52.33 H new ATOM 0 HB VAL A 41 -9.612 2.684 4.661 1.00 74.13 H new ATOM 0 HG11 VAL A 41 -8.434 4.159 3.085 1.00 52.11 H new ATOM 0 HG12 VAL A 41 -8.356 4.808 4.740 1.00 52.11 H new ATOM 0 HG13 VAL A 41 -6.937 3.999 4.033 1.00 52.11 H new ATOM 0 HG21 VAL A 41 -8.503 1.601 2.746 1.00 40.54 H new ATOM 0 HG22 VAL A 41 -7.013 1.415 3.702 1.00 40.54 H new ATOM 0 HG23 VAL A 41 -8.487 0.536 4.172 1.00 40.54 H new ATOM 596 N ILE A 42 -8.069 4.380 7.448 1.00 51.44 N ATOM 597 CA ILE A 42 -8.734 5.333 8.293 1.00 71.12 C ATOM 598 C ILE A 42 -9.626 6.155 7.382 1.00 2.35 C ATOM 599 O ILE A 42 -9.331 6.322 6.200 1.00 54.53 O ATOM 600 CB ILE A 42 -7.774 6.235 9.089 1.00 25.33 C ATOM 601 CG1 ILE A 42 -7.019 7.276 8.210 1.00 62.34 C ATOM 602 CG2 ILE A 42 -6.830 5.319 9.897 1.00 2.21 C ATOM 603 CD1 ILE A 42 -6.176 6.669 7.107 1.00 5.23 C ATOM 0 H ILE A 42 -7.100 4.612 7.230 1.00 51.44 H new ATOM 0 HA ILE A 42 -9.302 4.804 9.058 1.00 71.12 H new ATOM 0 HB ILE A 42 -8.351 6.859 9.771 1.00 25.33 H new ATOM 0 HG12 ILE A 42 -7.747 7.953 7.763 1.00 62.34 H new ATOM 0 HG13 ILE A 42 -6.376 7.878 8.852 1.00 62.34 H new ATOM 0 HG21 ILE A 42 -6.135 5.930 10.473 1.00 2.21 H new ATOM 0 HG22 ILE A 42 -7.417 4.699 10.575 1.00 2.21 H new ATOM 0 HG23 ILE A 42 -6.270 4.680 9.214 1.00 2.21 H new ATOM 0 HD11 ILE A 42 -5.686 7.464 6.544 1.00 5.23 H new ATOM 0 HD12 ILE A 42 -5.421 6.015 7.544 1.00 5.23 H new ATOM 0 HD13 ILE A 42 -6.814 6.091 6.438 1.00 5.23 H new ATOM 615 N PRO A 43 -10.767 6.635 7.893 1.00 52.45 N ATOM 616 CA PRO A 43 -11.716 7.345 7.066 1.00 13.55 C ATOM 617 C PRO A 43 -11.129 8.661 6.844 1.00 10.32 C ATOM 618 O PRO A 43 -10.181 9.008 7.560 1.00 22.04 O ATOM 619 CB PRO A 43 -12.923 7.534 7.967 1.00 30.32 C ATOM 620 CG PRO A 43 -12.276 7.704 9.336 1.00 42.02 C ATOM 621 CD PRO A 43 -11.170 6.616 9.305 1.00 22.24 C ATOM 0 HA PRO A 43 -11.961 6.849 6.127 1.00 13.55 H new ATOM 0 HB2 PRO A 43 -13.511 8.407 7.683 1.00 30.32 H new ATOM 0 HB3 PRO A 43 -13.593 6.675 7.937 1.00 30.32 H new ATOM 0 HG2 PRO A 43 -11.862 8.703 9.471 1.00 42.02 H new ATOM 0 HG3 PRO A 43 -12.986 7.541 10.147 1.00 42.02 H new ATOM 0 HD2 PRO A 43 -10.341 6.857 9.970 1.00 22.24 H new ATOM 0 HD3 PRO A 43 -11.548 5.640 9.609 1.00 22.24 H new ATOM 629 N GLN A 44 -11.693 9.443 5.935 1.00 64.35 N ATOM 630 CA GLN A 44 -11.376 10.854 5.854 1.00 75.33 C ATOM 631 C GLN A 44 -9.918 11.090 5.464 1.00 62.14 C ATOM 632 O GLN A 44 -9.497 12.228 5.303 1.00 64.43 O ATOM 633 CB GLN A 44 -11.723 11.607 7.168 1.00 43.15 C ATOM 634 CG GLN A 44 -13.223 11.864 7.320 1.00 40.54 C ATOM 635 CD GLN A 44 -13.444 12.498 8.680 1.00 5.12 C ATOM 636 OE1 GLN A 44 -13.233 11.852 9.706 1.00 52.12 O ATOM 637 NE2 GLN A 44 -13.865 13.768 8.709 1.00 41.44 N ATOM 0 H GLN A 44 -12.372 9.121 5.245 1.00 64.35 H new ATOM 0 HA GLN A 44 -12.003 11.264 5.063 1.00 75.33 H new ATOM 0 HB2 GLN A 44 -11.370 11.026 8.020 1.00 43.15 H new ATOM 0 HB3 GLN A 44 -11.191 12.558 7.189 1.00 43.15 H new ATOM 0 HG2 GLN A 44 -13.581 12.522 6.528 1.00 40.54 H new ATOM 0 HG3 GLN A 44 -13.782 10.932 7.237 1.00 40.54 H new ATOM 0 HE21 GLN A 44 -14.029 14.271 7.837 1.00 41.44 H new ATOM 0 HE22 GLN A 44 -14.022 14.233 9.603 1.00 41.44 H new ATOM 646 N GLY A 45 -9.146 10.024 5.283 1.00 3.42 N ATOM 647 CA GLY A 45 -7.781 10.140 4.887 1.00 54.23 C ATOM 648 C GLY A 45 -7.771 10.203 3.411 1.00 61.14 C ATOM 649 O GLY A 45 -8.786 9.983 2.765 1.00 72.04 O ATOM 0 H GLY A 45 -9.465 9.064 5.411 1.00 3.42 H new ATOM 0 HA2 GLY A 45 -7.328 11.034 5.316 1.00 54.23 H new ATOM 0 HA3 GLY A 45 -7.201 9.288 5.242 1.00 54.23 H new ATOM 653 N ALA A 46 -6.588 10.490 2.850 1.00 30.23 N ATOM 654 CA ALA A 46 -6.424 10.686 1.421 1.00 61.22 C ATOM 655 C ALA A 46 -6.868 9.432 0.715 1.00 41.13 C ATOM 656 O ALA A 46 -7.690 9.468 -0.184 1.00 22.20 O ATOM 657 CB ALA A 46 -4.965 10.946 1.027 1.00 63.13 C ATOM 0 H ALA A 46 -5.724 10.591 3.383 1.00 30.23 H new ATOM 0 HA ALA A 46 -7.017 11.556 1.139 1.00 61.22 H new ATOM 0 HB1 ALA A 46 -4.899 11.086 -0.052 1.00 63.13 H new ATOM 0 HB2 ALA A 46 -4.606 11.843 1.532 1.00 63.13 H new ATOM 0 HB3 ALA A 46 -4.351 10.094 1.321 1.00 63.13 H new ATOM 663 N ALA A 47 -6.308 8.291 1.162 1.00 4.20 N ATOM 664 CA ALA A 47 -6.587 6.993 0.564 1.00 63.45 C ATOM 665 C ALA A 47 -8.085 6.733 0.517 1.00 4.10 C ATOM 666 O ALA A 47 -8.622 6.400 -0.538 1.00 52.14 O ATOM 667 CB ALA A 47 -5.938 5.857 1.370 1.00 3.22 C ATOM 0 H ALA A 47 -5.654 8.254 1.944 1.00 4.20 H new ATOM 0 HA ALA A 47 -6.173 7.014 -0.444 1.00 63.45 H new ATOM 0 HB1 ALA A 47 -6.164 4.901 0.898 1.00 3.22 H new ATOM 0 HB2 ALA A 47 -4.858 6.001 1.397 1.00 3.22 H new ATOM 0 HB3 ALA A 47 -6.331 5.862 2.387 1.00 3.22 H new ATOM 673 N GLU A 48 -8.783 6.902 1.655 1.00 14.42 N ATOM 674 CA GLU A 48 -10.225 6.664 1.718 1.00 1.55 C ATOM 675 C GLU A 48 -10.957 7.638 0.804 1.00 43.44 C ATOM 676 O GLU A 48 -11.725 7.230 -0.070 1.00 11.20 O ATOM 677 CB GLU A 48 -10.790 6.883 3.153 1.00 40.52 C ATOM 678 CG GLU A 48 -12.289 6.569 3.280 1.00 41.53 C ATOM 679 CD GLU A 48 -12.459 5.078 3.167 1.00 21.33 C ATOM 680 OE1 GLU A 48 -11.992 4.362 4.063 1.00 21.41 O ATOM 681 OE2 GLU A 48 -13.065 4.613 2.180 1.00 23.45 O ATOM 0 H GLU A 48 -8.368 7.202 2.537 1.00 14.42 H new ATOM 0 HA GLU A 48 -10.381 5.629 1.413 1.00 1.55 H new ATOM 0 HB2 GLU A 48 -10.236 6.256 3.852 1.00 40.52 H new ATOM 0 HB3 GLU A 48 -10.618 7.918 3.448 1.00 40.52 H new ATOM 0 HG2 GLU A 48 -12.674 6.926 4.235 1.00 41.53 H new ATOM 0 HG3 GLU A 48 -12.853 7.078 2.499 1.00 41.53 H new ATOM 688 N SER A 49 -10.735 8.950 1.023 1.00 11.04 N ATOM 689 CA SER A 49 -11.470 10.010 0.340 1.00 5.12 C ATOM 690 C SER A 49 -11.302 9.907 -1.153 1.00 41.23 C ATOM 691 O SER A 49 -12.222 10.209 -1.906 1.00 71.20 O ATOM 692 CB SER A 49 -10.983 11.409 0.761 1.00 53.14 C ATOM 693 OG SER A 49 -11.130 11.578 2.173 1.00 62.31 O ATOM 0 H SER A 49 -10.037 9.295 1.682 1.00 11.04 H new ATOM 0 HA SER A 49 -12.515 9.882 0.621 1.00 5.12 H new ATOM 0 HB2 SER A 49 -9.938 11.539 0.479 1.00 53.14 H new ATOM 0 HB3 SER A 49 -11.553 12.174 0.234 1.00 53.14 H new ATOM 0 HG SER A 49 -10.411 11.100 2.636 1.00 62.31 H new ATOM 699 N ASP A 50 -10.120 9.483 -1.609 1.00 54.24 N ATOM 700 CA ASP A 50 -9.852 9.476 -3.036 1.00 22.30 C ATOM 701 C ASP A 50 -10.443 8.199 -3.582 1.00 31.14 C ATOM 702 O ASP A 50 -11.022 8.179 -4.663 1.00 24.15 O ATOM 703 CB ASP A 50 -8.353 9.561 -3.410 1.00 42.30 C ATOM 704 CG ASP A 50 -8.238 10.089 -4.836 1.00 4.32 C ATOM 705 OD1 ASP A 50 -8.718 9.423 -5.771 1.00 21.52 O ATOM 706 OD2 ASP A 50 -7.656 11.182 -5.034 1.00 14.02 O ATOM 0 H ASP A 50 -9.355 9.149 -1.022 1.00 54.24 H new ATOM 0 HA ASP A 50 -10.299 10.371 -3.468 1.00 22.30 H new ATOM 0 HB2 ASP A 50 -7.827 10.220 -2.719 1.00 42.30 H new ATOM 0 HB3 ASP A 50 -7.887 8.579 -3.331 1.00 42.30 H new ATOM 711 N GLY A 51 -10.396 7.116 -2.775 1.00 63.35 N ATOM 712 CA GLY A 51 -11.063 5.879 -3.142 1.00 12.34 C ATOM 713 C GLY A 51 -10.171 5.031 -3.989 1.00 12.12 C ATOM 714 O GLY A 51 -10.639 4.096 -4.622 1.00 35.41 O ATOM 0 H GLY A 51 -9.907 7.087 -1.881 1.00 63.35 H new ATOM 0 HA2 GLY A 51 -11.347 5.332 -2.243 1.00 12.34 H new ATOM 0 HA3 GLY A 51 -11.983 6.102 -3.683 1.00 12.34 H new ATOM 718 N ARG A 52 -8.847 5.316 -4.015 1.00 33.01 N ATOM 719 CA ARG A 52 -7.941 4.514 -4.848 1.00 1.01 C ATOM 720 C ARG A 52 -7.401 3.390 -4.007 1.00 74.31 C ATOM 721 O ARG A 52 -6.527 2.656 -4.444 1.00 65.14 O ATOM 722 CB ARG A 52 -6.725 5.306 -5.409 1.00 61.02 C ATOM 723 CG ARG A 52 -7.123 6.576 -6.155 1.00 62.34 C ATOM 724 CD ARG A 52 -5.938 7.376 -6.760 1.00 3.02 C ATOM 725 NE ARG A 52 -6.422 8.781 -6.908 1.00 24.24 N ATOM 726 CZ ARG A 52 -5.756 9.762 -7.601 1.00 22.41 C ATOM 727 NH1 ARG A 52 -4.718 9.469 -8.428 1.00 51.11 N ATOM 728 NH2 ARG A 52 -6.159 11.047 -7.446 1.00 74.43 N ATOM 0 H ARG A 52 -8.402 6.067 -3.488 1.00 33.01 H new ATOM 0 HA ARG A 52 -8.525 4.171 -5.702 1.00 1.01 H new ATOM 0 HB2 ARG A 52 -6.061 5.570 -4.586 1.00 61.02 H new ATOM 0 HB3 ARG A 52 -6.159 4.661 -6.081 1.00 61.02 H new ATOM 0 HG2 ARG A 52 -7.810 6.308 -6.958 1.00 62.34 H new ATOM 0 HG3 ARG A 52 -7.670 7.226 -5.471 1.00 62.34 H new ATOM 0 HD2 ARG A 52 -5.064 7.331 -6.110 1.00 3.02 H new ATOM 0 HD3 ARG A 52 -5.640 6.963 -7.723 1.00 3.02 H new ATOM 0 HE ARG A 52 -7.307 9.029 -6.465 1.00 24.24 H new ATOM 0 HH11 ARG A 52 -4.417 8.502 -8.545 1.00 51.11 H new ATOM 0 HH12 ARG A 52 -4.240 10.217 -8.931 1.00 51.11 H new ATOM 0 HH21 ARG A 52 -6.939 11.266 -6.827 1.00 74.43 H new ATOM 0 HH22 ARG A 52 -5.682 11.795 -7.949 1.00 74.43 H new ATOM 742 N ILE A 53 -7.910 3.251 -2.773 1.00 52.31 N ATOM 743 CA ILE A 53 -7.416 2.262 -1.866 1.00 31.34 C ATOM 744 C ILE A 53 -8.624 1.869 -1.052 1.00 14.11 C ATOM 745 O ILE A 53 -9.538 2.672 -0.826 1.00 52.35 O ATOM 746 CB ILE A 53 -6.252 2.746 -0.930 1.00 53.14 C ATOM 747 CG1 ILE A 53 -4.914 2.885 -1.720 1.00 2.04 C ATOM 748 CG2 ILE A 53 -6.070 1.762 0.257 1.00 72.44 C ATOM 749 CD1 ILE A 53 -4.606 4.278 -2.237 1.00 51.21 C ATOM 0 H ILE A 53 -8.666 3.825 -2.400 1.00 52.31 H new ATOM 0 HA ILE A 53 -6.966 1.440 -2.423 1.00 31.34 H new ATOM 0 HB ILE A 53 -6.521 3.728 -0.541 1.00 53.14 H new ATOM 0 HG12 ILE A 53 -4.096 2.566 -1.074 1.00 2.04 H new ATOM 0 HG13 ILE A 53 -4.938 2.199 -2.566 1.00 2.04 H new ATOM 0 HG21 ILE A 53 -5.260 2.110 0.897 1.00 72.44 H new ATOM 0 HG22 ILE A 53 -6.993 1.713 0.834 1.00 72.44 H new ATOM 0 HG23 ILE A 53 -5.829 0.770 -0.126 1.00 72.44 H new ATOM 0 HD11 ILE A 53 -3.656 4.266 -2.771 1.00 51.21 H new ATOM 0 HD12 ILE A 53 -5.398 4.598 -2.914 1.00 51.21 H new ATOM 0 HD13 ILE A 53 -4.542 4.972 -1.398 1.00 51.21 H new ATOM 761 N HIS A 54 -8.647 0.609 -0.631 1.00 60.24 N ATOM 762 CA HIS A 54 -9.655 0.108 0.245 1.00 32.32 C ATOM 763 C HIS A 54 -9.052 -1.084 0.858 1.00 4.20 C ATOM 764 O HIS A 54 -7.963 -1.505 0.461 1.00 4.10 O ATOM 765 CB HIS A 54 -10.982 -0.292 -0.437 1.00 74.10 C ATOM 766 CG HIS A 54 -10.801 -1.127 -1.647 1.00 73.30 C ATOM 767 ND1 HIS A 54 -10.522 -2.474 -1.601 1.00 12.32 N ATOM 768 CD2 HIS A 54 -10.813 -0.756 -2.927 1.00 3.53 C ATOM 769 CE1 HIS A 54 -10.369 -2.890 -2.849 1.00 51.30 C ATOM 770 NE2 HIS A 54 -10.541 -1.844 -3.664 1.00 70.34 N ATOM 0 H HIS A 54 -7.951 -0.086 -0.901 1.00 60.24 H new ATOM 0 HA HIS A 54 -9.937 0.895 0.944 1.00 32.32 H new ATOM 0 HB2 HIS A 54 -11.599 -0.834 0.279 1.00 74.10 H new ATOM 0 HB3 HIS A 54 -11.528 0.612 -0.708 1.00 74.10 H new ATOM 0 HD1 HIS A 54 -10.447 -3.047 -0.760 1.00 12.32 H new ATOM 0 HD2 HIS A 54 -11.006 0.238 -3.302 1.00 3.53 H new ATOM 0 HE1 HIS A 54 -10.144 -3.901 -3.156 1.00 51.30 H new ATOM 779 N LYS A 55 -9.732 -1.657 1.858 1.00 2.25 N ATOM 780 CA LYS A 55 -9.246 -2.840 2.522 1.00 64.02 C ATOM 781 C LYS A 55 -9.279 -3.980 1.550 1.00 22.43 C ATOM 782 O LYS A 55 -10.158 -4.048 0.682 1.00 61.05 O ATOM 783 CB LYS A 55 -10.080 -3.252 3.750 1.00 50.15 C ATOM 784 CG LYS A 55 -10.125 -2.169 4.836 1.00 21.42 C ATOM 785 CD LYS A 55 -10.994 -2.542 6.042 1.00 71.34 C ATOM 786 CE LYS A 55 -12.471 -2.782 5.677 1.00 42.42 C ATOM 787 NZ LYS A 55 -13.291 -2.981 6.885 1.00 41.12 N ATOM 0 H LYS A 55 -10.621 -1.308 2.215 1.00 2.25 H new ATOM 0 HA LYS A 55 -8.240 -2.608 2.871 1.00 64.02 H new ATOM 0 HB2 LYS A 55 -11.097 -3.481 3.431 1.00 50.15 H new ATOM 0 HB3 LYS A 55 -9.665 -4.166 4.174 1.00 50.15 H new ATOM 0 HG2 LYS A 55 -9.110 -1.968 5.179 1.00 21.42 H new ATOM 0 HG3 LYS A 55 -10.503 -1.244 4.399 1.00 21.42 H new ATOM 0 HD2 LYS A 55 -10.591 -3.442 6.507 1.00 71.34 H new ATOM 0 HD3 LYS A 55 -10.935 -1.746 6.784 1.00 71.34 H new ATOM 0 HE2 LYS A 55 -12.852 -1.932 5.111 1.00 42.42 H new ATOM 0 HE3 LYS A 55 -12.552 -3.656 5.031 1.00 42.42 H new ATOM 0 HZ1 LYS A 55 -14.281 -3.140 6.610 1.00 41.12 H new ATOM 0 HZ2 LYS A 55 -12.940 -3.807 7.410 1.00 41.12 H new ATOM 0 HZ3 LYS A 55 -13.231 -2.136 7.488 1.00 41.12 H new ATOM 801 N GLY A 56 -8.319 -4.889 1.676 1.00 73.10 N ATOM 802 CA GLY A 56 -8.376 -6.147 0.957 1.00 21.40 C ATOM 803 C GLY A 56 -7.451 -6.090 -0.205 1.00 74.21 C ATOM 804 O GLY A 56 -6.874 -7.110 -0.577 1.00 23.12 O ATOM 0 H GLY A 56 -7.496 -4.775 2.268 1.00 73.10 H new ATOM 0 HA2 GLY A 56 -8.099 -6.969 1.617 1.00 21.40 H new ATOM 0 HA3 GLY A 56 -9.394 -6.339 0.617 1.00 21.40 H new ATOM 808 N ASP A 57 -7.278 -4.891 -0.819 1.00 53.11 N ATOM 809 CA ASP A 57 -6.326 -4.755 -1.928 1.00 2.21 C ATOM 810 C ASP A 57 -4.945 -4.795 -1.349 1.00 33.31 C ATOM 811 O ASP A 57 -4.751 -4.629 -0.134 1.00 35.54 O ATOM 812 CB ASP A 57 -6.491 -3.475 -2.817 1.00 21.41 C ATOM 813 CG ASP A 57 -7.658 -3.692 -3.796 1.00 31.45 C ATOM 814 OD1 ASP A 57 -8.294 -4.765 -3.768 1.00 12.25 O ATOM 815 OD2 ASP A 57 -7.955 -2.793 -4.604 1.00 33.01 O ATOM 0 H ASP A 57 -7.773 -4.035 -0.568 1.00 53.11 H new ATOM 0 HA ASP A 57 -6.525 -5.582 -2.610 1.00 2.21 H new ATOM 0 HB2 ASP A 57 -6.682 -2.604 -2.191 1.00 21.41 H new ATOM 0 HB3 ASP A 57 -5.571 -3.277 -3.366 1.00 21.41 H new ATOM 820 N ARG A 58 -3.970 -5.131 -2.202 1.00 24.03 N ATOM 821 CA ARG A 58 -2.669 -5.515 -1.743 1.00 5.41 C ATOM 822 C ARG A 58 -1.674 -4.614 -2.392 1.00 61.04 C ATOM 823 O ARG A 58 -1.848 -4.213 -3.522 1.00 54.10 O ATOM 824 CB ARG A 58 -2.392 -6.982 -2.139 1.00 41.45 C ATOM 825 CG ARG A 58 -0.960 -7.499 -1.949 1.00 41.32 C ATOM 826 CD ARG A 58 -0.886 -9.035 -1.970 1.00 32.15 C ATOM 827 NE ARG A 58 -1.892 -9.551 -2.975 1.00 40.44 N ATOM 828 CZ ARG A 58 -1.624 -9.638 -4.329 1.00 41.21 C ATOM 829 NH1 ARG A 58 -0.362 -9.377 -4.826 1.00 4.51 N ATOM 830 NH2 ARG A 58 -2.632 -9.983 -5.174 1.00 61.04 N ATOM 0 H ARG A 58 -4.078 -5.138 -3.216 1.00 24.03 H new ATOM 0 HA ARG A 58 -2.603 -5.432 -0.658 1.00 5.41 H new ATOM 0 HB2 ARG A 58 -3.061 -7.620 -1.562 1.00 41.45 H new ATOM 0 HB3 ARG A 58 -2.660 -7.105 -3.188 1.00 41.45 H new ATOM 0 HG2 ARG A 58 -0.323 -7.096 -2.737 1.00 41.32 H new ATOM 0 HG3 ARG A 58 -0.566 -7.131 -1.001 1.00 41.32 H new ATOM 0 HD2 ARG A 58 0.119 -9.362 -2.238 1.00 32.15 H new ATOM 0 HD3 ARG A 58 -1.099 -9.438 -0.980 1.00 32.15 H new ATOM 0 HE ARG A 58 -2.808 -9.848 -2.639 1.00 40.44 H new ATOM 0 HH11 ARG A 58 0.392 -9.115 -4.191 1.00 4.51 H new ATOM 0 HH12 ARG A 58 -0.184 -9.447 -5.828 1.00 4.51 H new ATOM 0 HH21 ARG A 58 -3.564 -10.172 -4.806 1.00 61.04 H new ATOM 0 HH22 ARG A 58 -2.456 -10.053 -6.176 1.00 61.04 H new ATOM 844 N VAL A 59 -0.611 -4.261 -1.638 1.00 54.01 N ATOM 845 CA VAL A 59 0.408 -3.374 -2.103 1.00 63.04 C ATOM 846 C VAL A 59 1.506 -4.252 -2.641 1.00 20.14 C ATOM 847 O VAL A 59 1.816 -5.300 -2.063 1.00 71.14 O ATOM 848 CB VAL A 59 0.979 -2.497 -0.982 1.00 54.22 C ATOM 849 CG1 VAL A 59 1.940 -1.439 -1.585 1.00 42.33 C ATOM 850 CG2 VAL A 59 -0.204 -1.865 -0.211 1.00 74.42 C ATOM 0 H VAL A 59 -0.460 -4.600 -0.688 1.00 54.01 H new ATOM 0 HA VAL A 59 -0.007 -2.698 -2.850 1.00 63.04 H new ATOM 0 HB VAL A 59 1.566 -3.085 -0.277 1.00 54.22 H new ATOM 0 HG11 VAL A 59 2.344 -0.817 -0.786 1.00 42.33 H new ATOM 0 HG12 VAL A 59 2.757 -1.942 -2.102 1.00 42.33 H new ATOM 0 HG13 VAL A 59 1.395 -0.813 -2.291 1.00 42.33 H new ATOM 0 HG21 VAL A 59 0.180 -1.236 0.592 1.00 74.42 H new ATOM 0 HG22 VAL A 59 -0.800 -1.259 -0.893 1.00 74.42 H new ATOM 0 HG23 VAL A 59 -0.826 -2.654 0.212 1.00 74.42 H new ATOM 860 N LEU A 60 2.093 -3.849 -3.774 1.00 53.13 N ATOM 861 CA LEU A 60 3.180 -4.605 -4.373 1.00 72.13 C ATOM 862 C LEU A 60 4.449 -3.900 -4.036 1.00 5.55 C ATOM 863 O LEU A 60 5.364 -4.476 -3.464 1.00 33.54 O ATOM 864 CB LEU A 60 3.126 -4.597 -5.917 1.00 45.04 C ATOM 865 CG LEU A 60 1.929 -5.313 -6.520 1.00 43.22 C ATOM 866 CD1 LEU A 60 1.729 -4.907 -7.962 1.00 45.15 C ATOM 867 CD2 LEU A 60 1.995 -6.837 -6.370 1.00 14.53 C ATOM 0 H LEU A 60 1.830 -3.007 -4.286 1.00 53.13 H new ATOM 0 HA LEU A 60 3.110 -5.628 -4.003 1.00 72.13 H new ATOM 0 HB2 LEU A 60 3.123 -3.562 -6.260 1.00 45.04 H new ATOM 0 HB3 LEU A 60 4.037 -5.057 -6.300 1.00 45.04 H new ATOM 0 HG LEU A 60 1.058 -4.996 -5.947 1.00 43.22 H new ATOM 0 HD11 LEU A 60 0.866 -5.433 -8.372 1.00 45.15 H new ATOM 0 HD12 LEU A 60 1.558 -3.832 -8.017 1.00 45.15 H new ATOM 0 HD13 LEU A 60 2.618 -5.163 -8.539 1.00 45.15 H new ATOM 0 HD21 LEU A 60 1.110 -7.286 -6.822 1.00 14.53 H new ATOM 0 HD22 LEU A 60 2.888 -7.213 -6.869 1.00 14.53 H new ATOM 0 HD23 LEU A 60 2.034 -7.097 -5.312 1.00 14.53 H new ATOM 879 N ALA A 61 4.545 -2.622 -4.453 1.00 23.43 N ATOM 880 CA ALA A 61 5.766 -1.888 -4.329 1.00 52.31 C ATOM 881 C ALA A 61 5.388 -0.540 -3.866 1.00 10.32 C ATOM 882 O ALA A 61 4.298 -0.067 -4.180 1.00 4.22 O ATOM 883 CB ALA A 61 6.481 -1.699 -5.690 1.00 54.10 C ATOM 0 H ALA A 61 3.778 -2.099 -4.875 1.00 23.43 H new ATOM 0 HA ALA A 61 6.434 -2.427 -3.658 1.00 52.31 H new ATOM 0 HB1 ALA A 61 7.402 -1.136 -5.542 1.00 54.10 H new ATOM 0 HB2 ALA A 61 6.716 -2.674 -6.116 1.00 54.10 H new ATOM 0 HB3 ALA A 61 5.828 -1.154 -6.371 1.00 54.10 H new ATOM 889 N VAL A 62 6.293 0.132 -3.132 1.00 11.23 N ATOM 890 CA VAL A 62 6.065 1.497 -2.749 1.00 12.21 C ATOM 891 C VAL A 62 7.237 2.246 -3.304 1.00 15.24 C ATOM 892 O VAL A 62 8.376 1.867 -3.093 1.00 21.23 O ATOM 893 CB VAL A 62 5.977 1.738 -1.236 1.00 71.23 C ATOM 894 CG1 VAL A 62 5.693 3.239 -0.979 1.00 63.44 C ATOM 895 CG2 VAL A 62 4.883 0.808 -0.659 1.00 3.31 C ATOM 0 H VAL A 62 7.175 -0.262 -2.805 1.00 11.23 H new ATOM 0 HA VAL A 62 5.096 1.819 -3.131 1.00 12.21 H new ATOM 0 HB VAL A 62 6.914 1.501 -0.733 1.00 71.23 H new ATOM 0 HG11 VAL A 62 5.629 3.419 0.094 1.00 63.44 H new ATOM 0 HG12 VAL A 62 6.500 3.839 -1.400 1.00 63.44 H new ATOM 0 HG13 VAL A 62 4.750 3.517 -1.450 1.00 63.44 H new ATOM 0 HG21 VAL A 62 4.804 0.963 0.417 1.00 3.31 H new ATOM 0 HG22 VAL A 62 3.927 1.035 -1.130 1.00 3.31 H new ATOM 0 HG23 VAL A 62 5.147 -0.231 -0.857 1.00 3.31 H new ATOM 905 N ASN A 63 6.941 3.312 -4.070 1.00 22.52 N ATOM 906 CA ASN A 63 7.955 4.169 -4.710 1.00 22.50 C ATOM 907 C ASN A 63 8.818 3.325 -5.634 1.00 31.00 C ATOM 908 O ASN A 63 9.989 3.603 -5.859 1.00 20.52 O ATOM 909 CB ASN A 63 8.851 4.956 -3.702 1.00 31.51 C ATOM 910 CG ASN A 63 9.681 6.006 -4.460 1.00 1.25 C ATOM 911 OD1 ASN A 63 9.151 6.753 -5.290 1.00 3.22 O ATOM 912 ND2 ASN A 63 10.987 6.070 -4.175 1.00 73.10 N ATOM 0 H ASN A 63 5.983 3.605 -4.264 1.00 22.52 H new ATOM 0 HA ASN A 63 7.412 4.927 -5.275 1.00 22.50 H new ATOM 0 HB2 ASN A 63 8.229 5.443 -2.950 1.00 31.51 H new ATOM 0 HB3 ASN A 63 9.511 4.269 -3.173 1.00 31.51 H new ATOM 0 HD21 ASN A 63 11.580 6.752 -4.649 1.00 73.10 H new ATOM 0 HD22 ASN A 63 11.390 5.437 -3.484 1.00 73.10 H new ATOM 919 N GLY A 64 8.222 2.274 -6.215 1.00 3.14 N ATOM 920 CA GLY A 64 8.882 1.498 -7.234 1.00 1.23 C ATOM 921 C GLY A 64 9.710 0.461 -6.592 1.00 43.43 C ATOM 922 O GLY A 64 10.255 -0.402 -7.267 1.00 24.22 O ATOM 0 H GLY A 64 7.281 1.954 -5.985 1.00 3.14 H new ATOM 0 HA2 GLY A 64 8.145 1.037 -7.891 1.00 1.23 H new ATOM 0 HA3 GLY A 64 9.503 2.144 -7.855 1.00 1.23 H new ATOM 926 N VAL A 65 9.850 0.511 -5.260 1.00 1.02 N ATOM 927 CA VAL A 65 10.671 -0.381 -4.585 1.00 61.31 C ATOM 928 C VAL A 65 9.834 -1.598 -4.297 1.00 71.35 C ATOM 929 O VAL A 65 8.809 -1.507 -3.614 1.00 13.21 O ATOM 930 CB VAL A 65 11.144 0.222 -3.283 1.00 51.04 C ATOM 931 CG1 VAL A 65 11.986 -0.787 -2.562 1.00 41.34 C ATOM 932 CG2 VAL A 65 11.902 1.533 -3.606 1.00 72.23 C ATOM 0 H VAL A 65 9.378 1.188 -4.661 1.00 1.02 H new ATOM 0 HA VAL A 65 11.550 -0.627 -5.181 1.00 61.31 H new ATOM 0 HB VAL A 65 10.316 0.475 -2.621 1.00 51.04 H new ATOM 0 HG11 VAL A 65 12.334 -0.364 -1.620 1.00 41.34 H new ATOM 0 HG12 VAL A 65 11.393 -1.679 -2.362 1.00 41.34 H new ATOM 0 HG13 VAL A 65 12.844 -1.053 -3.179 1.00 41.34 H new ATOM 0 HG21 VAL A 65 12.254 1.988 -2.680 1.00 72.23 H new ATOM 0 HG22 VAL A 65 12.754 1.312 -4.248 1.00 72.23 H new ATOM 0 HG23 VAL A 65 11.232 2.224 -4.118 1.00 72.23 H new ATOM 942 N SER A 66 10.261 -2.762 -4.856 1.00 44.10 N ATOM 943 CA SER A 66 9.576 -4.030 -4.662 1.00 62.42 C ATOM 944 C SER A 66 9.484 -4.281 -3.172 1.00 63.20 C ATOM 945 O SER A 66 10.498 -4.304 -2.465 1.00 31.53 O ATOM 946 CB SER A 66 10.306 -5.217 -5.340 1.00 40.41 C ATOM 947 OG SER A 66 9.515 -6.402 -5.333 1.00 13.15 O ATOM 0 H SER A 66 11.089 -2.828 -5.449 1.00 44.10 H new ATOM 0 HA SER A 66 8.591 -3.963 -5.124 1.00 62.42 H new ATOM 0 HB2 SER A 66 10.553 -4.952 -6.368 1.00 40.41 H new ATOM 0 HB3 SER A 66 11.248 -5.406 -4.825 1.00 40.41 H new ATOM 0 HG SER A 66 10.008 -7.127 -5.770 1.00 13.15 H new ATOM 953 N LEU A 67 8.251 -4.370 -2.670 1.00 24.31 N ATOM 954 CA LEU A 67 8.017 -4.345 -1.251 1.00 42.34 C ATOM 955 C LEU A 67 7.704 -5.747 -0.847 1.00 4.34 C ATOM 956 O LEU A 67 7.724 -6.087 0.300 1.00 33.54 O ATOM 957 CB LEU A 67 6.807 -3.414 -0.917 1.00 70.34 C ATOM 958 CG LEU A 67 6.743 -2.819 0.503 1.00 43.32 C ATOM 959 CD1 LEU A 67 6.129 -3.766 1.529 1.00 32.51 C ATOM 960 CD2 LEU A 67 8.060 -2.168 0.958 1.00 24.23 C ATOM 0 H LEU A 67 7.408 -4.460 -3.237 1.00 24.31 H new ATOM 0 HA LEU A 67 8.888 -3.962 -0.719 1.00 42.34 H new ATOM 0 HB2 LEU A 67 6.810 -2.588 -1.629 1.00 70.34 H new ATOM 0 HB3 LEU A 67 5.890 -3.978 -1.088 1.00 70.34 H new ATOM 0 HG LEU A 67 6.039 -1.989 0.436 1.00 43.32 H new ATOM 0 HD11 LEU A 67 6.115 -3.284 2.506 1.00 32.51 H new ATOM 0 HD12 LEU A 67 5.110 -4.013 1.232 1.00 32.51 H new ATOM 0 HD13 LEU A 67 6.723 -4.678 1.583 1.00 32.51 H new ATOM 0 HD21 LEU A 67 7.940 -1.771 1.966 1.00 24.23 H new ATOM 0 HD22 LEU A 67 8.855 -2.914 0.954 1.00 24.23 H new ATOM 0 HD23 LEU A 67 8.319 -1.357 0.277 1.00 24.23 H new ATOM 972 N GLU A 68 7.432 -6.612 -1.826 1.00 33.32 N ATOM 973 CA GLU A 68 7.103 -7.990 -1.527 1.00 10.43 C ATOM 974 C GLU A 68 8.291 -8.645 -0.820 1.00 41.22 C ATOM 975 O GLU A 68 9.437 -8.572 -1.278 1.00 25.51 O ATOM 976 CB GLU A 68 6.718 -8.819 -2.776 1.00 31.32 C ATOM 977 CG GLU A 68 7.749 -8.761 -3.917 1.00 60.13 C ATOM 978 CD GLU A 68 7.363 -9.774 -4.962 1.00 1.20 C ATOM 979 OE1 GLU A 68 7.351 -10.980 -4.642 1.00 35.13 O ATOM 980 OE2 GLU A 68 7.098 -9.385 -6.114 1.00 71.11 O ATOM 0 H GLU A 68 7.435 -6.378 -2.819 1.00 33.32 H new ATOM 0 HA GLU A 68 6.223 -7.976 -0.884 1.00 10.43 H new ATOM 0 HB2 GLU A 68 6.580 -9.859 -2.479 1.00 31.32 H new ATOM 0 HB3 GLU A 68 5.758 -8.465 -3.151 1.00 31.32 H new ATOM 0 HG2 GLU A 68 7.778 -7.761 -4.351 1.00 60.13 H new ATOM 0 HG3 GLU A 68 8.748 -8.972 -3.536 1.00 60.13 H new ATOM 987 N GLY A 69 8.024 -9.259 0.344 1.00 13.04 N ATOM 988 CA GLY A 69 9.061 -9.906 1.126 1.00 51.44 C ATOM 989 C GLY A 69 9.516 -8.950 2.188 1.00 14.02 C ATOM 990 O GLY A 69 10.172 -9.349 3.149 1.00 45.32 O ATOM 0 H GLY A 69 7.092 -9.315 0.755 1.00 13.04 H new ATOM 0 HA2 GLY A 69 8.680 -10.822 1.578 1.00 51.44 H new ATOM 0 HA3 GLY A 69 9.897 -10.190 0.487 1.00 51.44 H new ATOM 994 N ALA A 70 9.179 -7.647 2.041 1.00 63.42 N ATOM 995 CA ALA A 70 9.556 -6.661 3.028 1.00 61.52 C ATOM 996 C ALA A 70 8.535 -6.748 4.113 1.00 14.41 C ATOM 997 O ALA A 70 7.431 -7.242 3.900 1.00 33.11 O ATOM 998 CB ALA A 70 9.589 -5.212 2.495 1.00 34.10 C ATOM 0 H ALA A 70 8.652 -7.277 1.250 1.00 63.42 H new ATOM 0 HA ALA A 70 10.572 -6.878 3.359 1.00 61.52 H new ATOM 0 HB1 ALA A 70 9.881 -4.535 3.298 1.00 34.10 H new ATOM 0 HB2 ALA A 70 10.310 -5.140 1.680 1.00 34.10 H new ATOM 0 HB3 ALA A 70 8.600 -4.936 2.130 1.00 34.10 H new ATOM 1004 N THR A 71 8.917 -6.346 5.322 1.00 75.43 N ATOM 1005 CA THR A 71 8.098 -6.621 6.458 1.00 33.51 C ATOM 1006 C THR A 71 6.967 -5.595 6.561 1.00 61.02 C ATOM 1007 O THR A 71 6.884 -4.636 5.783 1.00 4.12 O ATOM 1008 CB THR A 71 8.893 -6.706 7.769 1.00 12.31 C ATOM 1009 OG1 THR A 71 9.350 -5.412 8.214 1.00 13.01 O ATOM 1010 CG2 THR A 71 10.131 -7.605 7.523 1.00 70.04 C ATOM 0 H THR A 71 9.778 -5.837 5.521 1.00 75.43 H new ATOM 0 HA THR A 71 7.666 -7.610 6.305 1.00 33.51 H new ATOM 0 HB THR A 71 8.239 -7.113 8.540 1.00 12.31 H new ATOM 0 HG1 THR A 71 9.849 -5.512 9.051 1.00 13.01 H new ATOM 0 HG21 THR A 71 10.713 -7.681 8.441 1.00 70.04 H new ATOM 0 HG22 THR A 71 9.804 -8.599 7.217 1.00 70.04 H new ATOM 0 HG23 THR A 71 10.748 -7.168 6.738 1.00 70.04 H new ATOM 1018 N HIS A 72 6.095 -5.809 7.568 1.00 52.01 N ATOM 1019 CA HIS A 72 4.983 -4.932 7.905 1.00 54.24 C ATOM 1020 C HIS A 72 5.548 -3.561 8.213 1.00 24.23 C ATOM 1021 O HIS A 72 5.093 -2.562 7.674 1.00 24.55 O ATOM 1022 CB HIS A 72 4.228 -5.468 9.163 1.00 3.01 C ATOM 1023 CG HIS A 72 3.107 -4.601 9.693 1.00 63.20 C ATOM 1024 ND1 HIS A 72 3.113 -3.321 10.127 1.00 74.00 N flip ATOM 1025 CD2 HIS A 72 1.877 -5.122 9.996 1.00 65.24 C flip ATOM 1026 CE1 HIS A 72 1.880 -3.074 10.679 1.00 2.24 C flip ATOM 1027 NE2 HIS A 72 1.144 -4.179 10.577 1.00 54.22 N flip ATOM 0 H HIS A 72 6.157 -6.623 8.179 1.00 52.01 H new ATOM 0 HA HIS A 72 4.282 -4.889 7.071 1.00 54.24 H new ATOM 0 HB2 HIS A 72 3.818 -6.449 8.923 1.00 3.01 H new ATOM 0 HB3 HIS A 72 4.955 -5.613 9.962 1.00 3.01 H new ATOM 0 HD2 HIS A 72 1.556 -6.133 9.795 1.00 65.24 H new ATOM 0 HE1 HIS A 72 1.561 -2.142 11.121 1.00 2.24 H new ATOM 0 HE2 HIS A 72 0.180 -4.284 10.892 1.00 54.22 H new ATOM 1036 N LYS A 73 6.567 -3.497 9.102 1.00 42.11 N ATOM 1037 CA LYS A 73 7.240 -2.241 9.434 1.00 2.21 C ATOM 1038 C LYS A 73 7.761 -1.567 8.187 1.00 11.51 C ATOM 1039 O LYS A 73 7.466 -0.405 7.947 1.00 71.32 O ATOM 1040 CB LYS A 73 8.431 -2.423 10.415 1.00 12.22 C ATOM 1041 CG LYS A 73 9.141 -1.108 10.791 1.00 10.21 C ATOM 1042 CD LYS A 73 8.204 -0.036 11.366 1.00 75.12 C ATOM 1043 CE LYS A 73 7.516 -0.424 12.694 1.00 52.04 C ATOM 1044 NZ LYS A 73 8.504 -0.608 13.768 1.00 15.13 N ATOM 0 H LYS A 73 6.934 -4.309 9.598 1.00 42.11 H new ATOM 0 HA LYS A 73 6.484 -1.627 9.923 1.00 2.21 H new ATOM 0 HB2 LYS A 73 8.069 -2.901 11.325 1.00 12.22 H new ATOM 0 HB3 LYS A 73 9.157 -3.101 9.966 1.00 12.22 H new ATOM 0 HG2 LYS A 73 9.921 -1.324 11.521 1.00 10.21 H new ATOM 0 HG3 LYS A 73 9.635 -0.708 9.906 1.00 10.21 H new ATOM 0 HD2 LYS A 73 8.774 0.880 11.522 1.00 75.12 H new ATOM 0 HD3 LYS A 73 7.435 0.189 10.627 1.00 75.12 H new ATOM 0 HE2 LYS A 73 6.805 0.351 12.979 1.00 52.04 H new ATOM 0 HE3 LYS A 73 6.947 -1.344 12.557 1.00 52.04 H new ATOM 0 HZ1 LYS A 73 8.012 -0.801 14.663 1.00 15.13 H new ATOM 0 HZ2 LYS A 73 9.125 -1.409 13.535 1.00 15.13 H new ATOM 0 HZ3 LYS A 73 9.075 0.256 13.866 1.00 15.13 H new ATOM 1058 N GLN A 74 8.571 -2.288 7.378 1.00 23.13 N ATOM 1059 CA GLN A 74 9.179 -1.698 6.170 1.00 33.44 C ATOM 1060 C GLN A 74 8.101 -1.091 5.295 1.00 41.42 C ATOM 1061 O GLN A 74 8.270 -0.003 4.759 1.00 74.21 O ATOM 1062 CB GLN A 74 9.952 -2.709 5.322 1.00 0.14 C ATOM 1063 CG GLN A 74 11.154 -3.311 6.055 1.00 55.25 C ATOM 1064 CD GLN A 74 11.895 -4.225 5.095 1.00 12.23 C ATOM 1065 OE1 GLN A 74 11.962 -5.428 5.305 1.00 15.23 O ATOM 1066 NE2 GLN A 74 12.452 -3.657 4.015 1.00 12.50 N ATOM 0 H GLN A 74 8.814 -3.265 7.539 1.00 23.13 H new ATOM 0 HA GLN A 74 9.883 -0.946 6.527 1.00 33.44 H new ATOM 0 HB2 GLN A 74 9.279 -3.511 5.020 1.00 0.14 H new ATOM 0 HB3 GLN A 74 10.297 -2.222 4.410 1.00 0.14 H new ATOM 0 HG2 GLN A 74 11.815 -2.521 6.412 1.00 55.25 H new ATOM 0 HG3 GLN A 74 10.823 -3.870 6.931 1.00 55.25 H new ATOM 0 HE21 GLN A 74 12.376 -2.650 3.872 1.00 12.50 H new ATOM 0 HE22 GLN A 74 12.951 -4.232 3.337 1.00 12.50 H new ATOM 1075 N ALA A 75 6.966 -1.798 5.168 1.00 54.14 N ATOM 1076 CA ALA A 75 5.824 -1.332 4.373 1.00 64.32 C ATOM 1077 C ALA A 75 5.446 0.078 4.772 1.00 11.25 C ATOM 1078 O ALA A 75 5.370 0.970 3.926 1.00 41.12 O ATOM 1079 CB ALA A 75 4.565 -2.206 4.526 1.00 73.43 C ATOM 0 H ALA A 75 6.817 -2.704 5.612 1.00 54.14 H new ATOM 0 HA ALA A 75 6.155 -1.386 3.336 1.00 64.32 H new ATOM 0 HB1 ALA A 75 3.763 -1.800 3.909 1.00 73.43 H new ATOM 0 HB2 ALA A 75 4.788 -3.224 4.207 1.00 73.43 H new ATOM 0 HB3 ALA A 75 4.252 -2.213 5.570 1.00 73.43 H new ATOM 1085 N VAL A 76 5.196 0.310 6.078 1.00 12.44 N ATOM 1086 CA VAL A 76 4.728 1.605 6.516 1.00 15.30 C ATOM 1087 C VAL A 76 5.885 2.595 6.486 1.00 63.21 C ATOM 1088 O VAL A 76 5.688 3.750 6.135 1.00 3.32 O ATOM 1089 CB VAL A 76 4.044 1.603 7.888 1.00 63.30 C ATOM 1090 CG1 VAL A 76 2.697 0.874 7.739 1.00 1.32 C ATOM 1091 CG2 VAL A 76 4.954 0.949 8.949 1.00 21.31 C ATOM 0 H VAL A 76 5.313 -0.379 6.821 1.00 12.44 H new ATOM 0 HA VAL A 76 3.949 1.908 5.817 1.00 15.30 H new ATOM 0 HB VAL A 76 3.862 2.621 8.233 1.00 63.30 H new ATOM 0 HG11 VAL A 76 2.185 0.856 8.701 1.00 1.32 H new ATOM 0 HG12 VAL A 76 2.079 1.397 7.009 1.00 1.32 H new ATOM 0 HG13 VAL A 76 2.872 -0.148 7.402 1.00 1.32 H new ATOM 0 HG21 VAL A 76 4.450 0.958 9.916 1.00 21.31 H new ATOM 0 HG22 VAL A 76 5.168 -0.080 8.660 1.00 21.31 H new ATOM 0 HG23 VAL A 76 5.888 1.507 9.021 1.00 21.31 H new ATOM 1101 N CYS A 77 7.134 2.153 6.876 1.00 73.41 N ATOM 1102 CA CYS A 77 8.269 3.149 6.958 1.00 52.25 C ATOM 1103 C CYS A 77 8.451 3.698 5.526 1.00 61.14 C ATOM 1104 O CYS A 77 8.948 4.756 5.312 1.00 52.35 O ATOM 1105 CB CYS A 77 9.612 2.475 7.458 1.00 1.21 C ATOM 1106 SG CYS A 77 11.187 3.413 7.151 1.00 21.11 S ATOM 0 H CYS A 77 7.370 1.191 7.121 1.00 73.41 H new ATOM 0 HA CYS A 77 8.037 3.935 7.676 1.00 52.25 H new ATOM 0 HB2 CYS A 77 9.525 2.299 8.530 1.00 1.21 H new ATOM 0 HB3 CYS A 77 9.700 1.499 6.981 1.00 1.21 H new ATOM 0 HG CYS A 77 10.969 4.354 6.281 1.00 21.11 H new ATOM 1111 N THR A 78 8.193 2.848 4.504 1.00 31.30 N ATOM 1112 CA THR A 78 8.395 3.270 3.130 1.00 65.13 C ATOM 1113 C THR A 78 7.320 4.286 2.787 1.00 41.34 C ATOM 1114 O THR A 78 7.612 5.342 2.261 1.00 24.24 O ATOM 1115 CB THR A 78 8.367 2.122 2.127 1.00 31.24 C ATOM 1116 OG1 THR A 78 9.237 1.074 2.571 1.00 42.42 O ATOM 1117 CG2 THR A 78 8.879 2.645 0.757 1.00 32.32 C ATOM 0 H THR A 78 7.854 1.893 4.617 1.00 31.30 H new ATOM 0 HA THR A 78 9.393 3.702 3.057 1.00 65.13 H new ATOM 0 HB THR A 78 7.350 1.741 2.036 1.00 31.24 H new ATOM 0 HG1 THR A 78 8.852 0.642 3.362 1.00 42.42 H new ATOM 0 HG21 THR A 78 8.864 1.834 0.029 1.00 32.32 H new ATOM 0 HG22 THR A 78 8.234 3.453 0.412 1.00 32.32 H new ATOM 0 HG23 THR A 78 9.898 3.016 0.867 1.00 32.32 H new ATOM 1125 N LEU A 79 6.042 3.984 3.138 1.00 63.12 N ATOM 1126 CA LEU A 79 4.926 4.903 2.864 1.00 62.21 C ATOM 1127 C LEU A 79 5.172 6.231 3.586 1.00 2.54 C ATOM 1128 O LEU A 79 4.733 7.292 3.134 1.00 40.23 O ATOM 1129 CB LEU A 79 3.555 4.367 3.357 1.00 72.23 C ATOM 1130 CG LEU A 79 3.014 3.158 2.556 1.00 4.10 C ATOM 1131 CD1 LEU A 79 1.826 2.478 3.267 1.00 14.40 C ATOM 1132 CD2 LEU A 79 2.682 3.513 1.085 1.00 14.43 C ATOM 0 H LEU A 79 5.770 3.119 3.606 1.00 63.12 H new ATOM 0 HA LEU A 79 4.886 5.017 1.781 1.00 62.21 H new ATOM 0 HB2 LEU A 79 3.646 4.081 4.405 1.00 72.23 H new ATOM 0 HB3 LEU A 79 2.825 5.175 3.309 1.00 72.23 H new ATOM 0 HG LEU A 79 3.825 2.431 2.519 1.00 4.10 H new ATOM 0 HD11 LEU A 79 1.478 1.635 2.670 1.00 14.40 H new ATOM 0 HD12 LEU A 79 2.144 2.122 4.247 1.00 14.40 H new ATOM 0 HD13 LEU A 79 1.015 3.196 3.388 1.00 14.40 H new ATOM 0 HD21 LEU A 79 2.307 2.627 0.573 1.00 14.43 H new ATOM 0 HD22 LEU A 79 1.922 4.294 1.062 1.00 14.43 H new ATOM 0 HD23 LEU A 79 3.583 3.868 0.584 1.00 14.43 H new ATOM 1144 N ARG A 80 5.866 6.186 4.733 1.00 30.12 N ATOM 1145 CA ARG A 80 6.176 7.386 5.484 1.00 41.33 C ATOM 1146 C ARG A 80 7.299 8.103 4.742 1.00 24.13 C ATOM 1147 O ARG A 80 7.146 9.242 4.331 1.00 2.53 O ATOM 1148 CB ARG A 80 6.652 7.056 6.935 1.00 52.43 C ATOM 1149 CG ARG A 80 6.557 8.220 7.943 1.00 11.12 C ATOM 1150 CD ARG A 80 7.498 9.402 7.658 1.00 43.52 C ATOM 1151 NE ARG A 80 7.477 10.306 8.860 1.00 32.32 N ATOM 1152 CZ ARG A 80 7.055 11.620 8.799 1.00 21.33 C ATOM 1153 NH1 ARG A 80 6.479 12.118 7.666 1.00 14.43 N ATOM 1154 NH2 ARG A 80 7.219 12.428 9.891 1.00 55.52 N ATOM 0 H ARG A 80 6.218 5.325 5.151 1.00 30.12 H new ATOM 0 HA ARG A 80 5.281 8.002 5.566 1.00 41.33 H new ATOM 0 HB2 ARG A 80 6.061 6.222 7.312 1.00 52.43 H new ATOM 0 HB3 ARG A 80 7.688 6.719 6.892 1.00 52.43 H new ATOM 0 HG2 ARG A 80 5.531 8.587 7.957 1.00 11.12 H new ATOM 0 HG3 ARG A 80 6.771 7.836 8.940 1.00 11.12 H new ATOM 0 HD2 ARG A 80 8.510 9.047 7.465 1.00 43.52 H new ATOM 0 HD3 ARG A 80 7.175 9.942 6.768 1.00 43.52 H new ATOM 0 HE ARG A 80 7.787 9.933 9.757 1.00 32.32 H new ATOM 0 HH11 ARG A 80 6.356 11.518 6.851 1.00 14.43 H new ATOM 0 HH12 ARG A 80 6.172 13.090 7.635 1.00 14.43 H new ATOM 0 HH21 ARG A 80 7.649 12.058 10.739 1.00 55.52 H new ATOM 0 HH22 ARG A 80 6.911 13.400 9.857 1.00 55.52 H new ATOM 1168 N ASN A 81 8.450 7.399 4.595 1.00 2.23 N ATOM 1169 CA ASN A 81 9.711 7.890 3.950 1.00 15.05 C ATOM 1170 C ASN A 81 9.497 8.550 2.588 1.00 42.15 C ATOM 1171 O ASN A 81 10.354 9.304 2.124 1.00 4.14 O ATOM 1172 CB ASN A 81 10.751 6.735 3.766 1.00 61.13 C ATOM 1173 CG ASN A 81 12.111 7.299 3.326 1.00 72.21 C ATOM 1174 OD1 ASN A 81 12.740 8.093 4.051 1.00 10.01 O ATOM 1175 ND2 ASN A 81 12.589 6.885 2.137 1.00 31.10 N ATOM 0 H ASN A 81 8.537 6.440 4.931 1.00 2.23 H new ATOM 0 HA ASN A 81 10.088 8.645 4.639 1.00 15.05 H new ATOM 0 HB2 ASN A 81 10.864 6.187 4.701 1.00 61.13 H new ATOM 0 HB3 ASN A 81 10.387 6.026 3.023 1.00 61.13 H new ATOM 0 HD21 ASN A 81 13.493 7.222 1.805 1.00 31.10 H new ATOM 0 HD22 ASN A 81 12.048 6.234 1.568 1.00 31.10 H new ATOM 1182 N THR A 82 8.394 8.281 1.928 1.00 44.33 N ATOM 1183 CA THR A 82 8.185 8.806 0.588 1.00 72.25 C ATOM 1184 C THR A 82 7.866 10.301 0.671 1.00 43.51 C ATOM 1185 O THR A 82 7.701 10.873 1.758 1.00 11.11 O ATOM 1186 CB THR A 82 7.067 8.101 -0.140 1.00 63.24 C ATOM 1187 OG1 THR A 82 5.989 7.862 0.761 1.00 74.32 O ATOM 1188 CG2 THR A 82 7.613 6.765 -0.655 1.00 52.24 C ATOM 0 H THR A 82 7.631 7.708 2.288 1.00 44.33 H new ATOM 0 HA THR A 82 9.103 8.637 0.026 1.00 72.25 H new ATOM 0 HB THR A 82 6.704 8.710 -0.968 1.00 63.24 H new ATOM 0 HG1 THR A 82 5.511 7.051 0.491 1.00 74.32 H new ATOM 0 HG21 THR A 82 6.826 6.231 -1.187 1.00 52.24 H new ATOM 0 HG22 THR A 82 8.447 6.949 -1.332 1.00 52.24 H new ATOM 0 HG23 THR A 82 7.955 6.163 0.187 1.00 52.24 H new ATOM 1196 N GLY A 83 7.820 10.941 -0.504 1.00 12.42 N ATOM 1197 CA GLY A 83 7.645 12.377 -0.602 1.00 61.35 C ATOM 1198 C GLY A 83 6.194 12.733 -0.437 1.00 41.01 C ATOM 1199 O GLY A 83 5.454 12.092 0.312 1.00 74.24 O ATOM 0 H GLY A 83 7.904 10.471 -1.405 1.00 12.42 H new ATOM 0 HA2 GLY A 83 8.239 12.877 0.163 1.00 61.35 H new ATOM 0 HA3 GLY A 83 8.007 12.730 -1.568 1.00 61.35 H new ATOM 1203 N GLN A 84 5.795 13.827 -1.120 1.00 3.43 N ATOM 1204 CA GLN A 84 4.494 14.433 -0.938 1.00 41.14 C ATOM 1205 C GLN A 84 3.449 13.525 -1.525 1.00 62.44 C ATOM 1206 O GLN A 84 2.525 13.078 -0.823 1.00 1.33 O ATOM 1207 CB GLN A 84 4.429 15.791 -1.671 1.00 50.14 C ATOM 1208 CG GLN A 84 3.112 16.536 -1.530 1.00 5.31 C ATOM 1209 CD GLN A 84 3.284 17.868 -2.235 1.00 41.22 C ATOM 1210 OE1 GLN A 84 3.611 17.912 -3.424 1.00 10.24 O ATOM 1211 NE2 GLN A 84 3.082 18.970 -1.510 1.00 11.51 N ATOM 0 H GLN A 84 6.378 14.302 -1.809 1.00 3.43 H new ATOM 0 HA GLN A 84 4.320 14.587 0.127 1.00 41.14 H new ATOM 0 HB2 GLN A 84 5.231 16.427 -1.296 1.00 50.14 H new ATOM 0 HB3 GLN A 84 4.623 15.624 -2.731 1.00 50.14 H new ATOM 0 HG2 GLN A 84 2.296 15.966 -1.974 1.00 5.31 H new ATOM 0 HG3 GLN A 84 2.862 16.684 -0.479 1.00 5.31 H new ATOM 0 HE21 GLN A 84 2.812 18.893 -0.529 1.00 11.51 H new ATOM 0 HE22 GLN A 84 3.197 19.889 -1.937 1.00 11.51 H new ATOM 1220 N VAL A 85 3.590 13.179 -2.812 1.00 1.04 N ATOM 1221 CA VAL A 85 2.726 12.208 -3.411 1.00 13.21 C ATOM 1222 C VAL A 85 3.469 10.933 -3.297 1.00 31.41 C ATOM 1223 O VAL A 85 4.690 10.912 -3.403 1.00 73.34 O ATOM 1224 CB VAL A 85 2.448 12.509 -4.888 1.00 11.51 C ATOM 1225 CG1 VAL A 85 1.728 11.329 -5.567 1.00 12.02 C ATOM 1226 CG2 VAL A 85 1.611 13.786 -4.935 1.00 42.22 C ATOM 0 H VAL A 85 4.296 13.566 -3.438 1.00 1.04 H new ATOM 0 HA VAL A 85 1.754 12.194 -2.919 1.00 13.21 H new ATOM 0 HB VAL A 85 3.379 12.650 -5.437 1.00 11.51 H new ATOM 0 HG11 VAL A 85 1.543 11.569 -6.614 1.00 12.02 H new ATOM 0 HG12 VAL A 85 2.352 10.437 -5.504 1.00 12.02 H new ATOM 0 HG13 VAL A 85 0.779 11.144 -5.064 1.00 12.02 H new ATOM 0 HG21 VAL A 85 1.389 14.038 -5.972 1.00 42.22 H new ATOM 0 HG22 VAL A 85 0.679 13.630 -4.392 1.00 42.22 H new ATOM 0 HG23 VAL A 85 2.167 14.603 -4.474 1.00 42.22 H new ATOM 1236 N VAL A 86 2.760 9.845 -3.037 1.00 61.32 N ATOM 1237 CA VAL A 86 3.386 8.572 -2.926 1.00 52.22 C ATOM 1238 C VAL A 86 2.911 7.806 -4.107 1.00 24.23 C ATOM 1239 O VAL A 86 1.718 7.837 -4.439 1.00 21.01 O ATOM 1240 CB VAL A 86 2.979 7.830 -1.661 1.00 12.55 C ATOM 1241 CG1 VAL A 86 3.749 6.486 -1.577 1.00 53.15 C ATOM 1242 CG2 VAL A 86 3.264 8.759 -0.469 1.00 14.15 C ATOM 0 H VAL A 86 1.749 9.837 -2.902 1.00 61.32 H new ATOM 0 HA VAL A 86 4.469 8.686 -2.882 1.00 52.22 H new ATOM 0 HB VAL A 86 1.918 7.578 -1.659 1.00 12.55 H new ATOM 0 HG11 VAL A 86 3.457 5.955 -0.671 1.00 53.15 H new ATOM 0 HG12 VAL A 86 3.511 5.875 -2.448 1.00 53.15 H new ATOM 0 HG13 VAL A 86 4.821 6.682 -1.553 1.00 53.15 H new ATOM 0 HG21 VAL A 86 2.983 8.258 0.458 1.00 14.15 H new ATOM 0 HG22 VAL A 86 4.326 9.002 -0.443 1.00 14.15 H new ATOM 0 HG23 VAL A 86 2.685 9.676 -0.576 1.00 14.15 H new ATOM 1252 N HIS A 87 3.834 7.117 -4.785 1.00 41.05 N ATOM 1253 CA HIS A 87 3.472 6.282 -5.892 1.00 44.03 C ATOM 1254 C HIS A 87 3.535 4.894 -5.337 1.00 54.11 C ATOM 1255 O HIS A 87 4.563 4.493 -4.805 1.00 41.44 O ATOM 1256 CB HIS A 87 4.467 6.386 -7.078 1.00 43.24 C ATOM 1257 CG HIS A 87 3.865 6.011 -8.410 1.00 51.11 C ATOM 1258 ND1 HIS A 87 3.319 6.945 -9.252 1.00 65.41 N ATOM 1259 CD2 HIS A 87 3.759 4.817 -9.022 1.00 41.51 C ATOM 1260 CE1 HIS A 87 2.897 6.326 -10.346 1.00 41.44 C ATOM 1261 NE2 HIS A 87 3.161 5.035 -10.227 1.00 10.43 N ATOM 0 H HIS A 87 4.832 7.133 -4.573 1.00 41.05 H new ATOM 0 HA HIS A 87 2.498 6.571 -6.286 1.00 44.03 H new ATOM 0 HB2 HIS A 87 4.845 7.407 -7.135 1.00 43.24 H new ATOM 0 HB3 HIS A 87 5.322 5.740 -6.881 1.00 43.24 H new ATOM 0 HD2 HIS A 87 4.086 3.865 -8.631 1.00 41.51 H new ATOM 0 HE1 HIS A 87 2.418 6.797 -11.192 1.00 41.44 H new ATOM 0 HE2 HIS A 87 2.951 4.320 -10.923 1.00 10.43 H new ATOM 1270 N LEU A 88 2.432 4.155 -5.381 1.00 0.43 N ATOM 1271 CA LEU A 88 2.431 2.863 -4.798 1.00 33.50 C ATOM 1272 C LEU A 88 1.571 1.992 -5.625 1.00 1.00 C ATOM 1273 O LEU A 88 0.463 2.351 -5.988 1.00 41.10 O ATOM 1274 CB LEU A 88 2.066 2.822 -3.276 1.00 61.33 C ATOM 1275 CG LEU A 88 0.744 3.524 -2.804 1.00 4.41 C ATOM 1276 CD1 LEU A 88 0.548 4.994 -3.239 1.00 21.43 C ATOM 1277 CD2 LEU A 88 -0.490 2.681 -3.005 1.00 3.45 C ATOM 0 H LEU A 88 1.553 4.441 -5.811 1.00 0.43 H new ATOM 0 HA LEU A 88 3.456 2.491 -4.799 1.00 33.50 H new ATOM 0 HB2 LEU A 88 2.011 1.775 -2.976 1.00 61.33 H new ATOM 0 HB3 LEU A 88 2.894 3.268 -2.724 1.00 61.33 H new ATOM 0 HG LEU A 88 0.899 3.607 -1.728 1.00 4.41 H new ATOM 0 HD11 LEU A 88 -0.401 5.365 -2.851 1.00 21.43 H new ATOM 0 HD12 LEU A 88 1.363 5.602 -2.846 1.00 21.43 H new ATOM 0 HD13 LEU A 88 0.543 5.054 -4.327 1.00 21.43 H new ATOM 0 HD21 LEU A 88 -1.366 3.229 -2.657 1.00 3.45 H new ATOM 0 HD22 LEU A 88 -0.604 2.450 -4.064 1.00 3.45 H new ATOM 0 HD23 LEU A 88 -0.394 1.754 -2.440 1.00 3.45 H new ATOM 1289 N LEU A 89 2.135 0.850 -6.068 1.00 63.05 N ATOM 1290 CA LEU A 89 1.417 -0.070 -6.899 1.00 41.35 C ATOM 1291 C LEU A 89 0.576 -0.906 -6.030 1.00 35.34 C ATOM 1292 O LEU A 89 0.985 -1.302 -4.928 1.00 51.32 O ATOM 1293 CB LEU A 89 2.355 -1.059 -7.634 1.00 13.22 C ATOM 1294 CG LEU A 89 3.039 -0.527 -8.898 1.00 4.34 C ATOM 1295 CD1 LEU A 89 3.572 0.910 -8.774 1.00 32.22 C ATOM 1296 CD2 LEU A 89 4.090 -1.515 -9.431 1.00 34.33 C ATOM 0 H LEU A 89 3.090 0.564 -5.850 1.00 63.05 H new ATOM 0 HA LEU A 89 0.859 0.520 -7.626 1.00 41.35 H new ATOM 0 HB2 LEU A 89 3.127 -1.382 -6.936 1.00 13.22 H new ATOM 0 HB3 LEU A 89 1.778 -1.944 -7.903 1.00 13.22 H new ATOM 0 HG LEU A 89 2.253 -0.453 -9.650 1.00 4.34 H new ATOM 0 HD11 LEU A 89 4.040 1.207 -9.713 1.00 32.22 H new ATOM 0 HD12 LEU A 89 2.747 1.586 -8.551 1.00 32.22 H new ATOM 0 HD13 LEU A 89 4.307 0.957 -7.971 1.00 32.22 H new ATOM 0 HD21 LEU A 89 4.554 -1.104 -10.328 1.00 34.33 H new ATOM 0 HD22 LEU A 89 4.853 -1.680 -8.670 1.00 34.33 H new ATOM 0 HD23 LEU A 89 3.609 -2.463 -9.673 1.00 34.33 H new ATOM 1308 N LEU A 90 -0.593 -1.237 -6.546 1.00 43.55 N ATOM 1309 CA LEU A 90 -1.473 -2.141 -5.881 1.00 5.52 C ATOM 1310 C LEU A 90 -1.601 -3.307 -6.802 1.00 1.32 C ATOM 1311 O LEU A 90 -1.343 -3.194 -8.011 1.00 14.15 O ATOM 1312 CB LEU A 90 -2.934 -1.626 -5.649 1.00 35.11 C ATOM 1313 CG LEU A 90 -3.126 -0.117 -5.327 1.00 55.21 C ATOM 1314 CD1 LEU A 90 -2.407 0.390 -4.072 1.00 2.31 C ATOM 1315 CD2 LEU A 90 -2.880 0.780 -6.530 1.00 41.35 C ATOM 0 H LEU A 90 -0.946 -0.881 -7.435 1.00 43.55 H new ATOM 0 HA LEU A 90 -1.050 -2.332 -4.895 1.00 5.52 H new ATOM 0 HB2 LEU A 90 -3.516 -1.855 -6.542 1.00 35.11 H new ATOM 0 HB3 LEU A 90 -3.366 -2.201 -4.830 1.00 35.11 H new ATOM 0 HG LEU A 90 -4.184 -0.047 -5.075 1.00 55.21 H new ATOM 0 HD11 LEU A 90 -2.608 1.453 -3.942 1.00 2.31 H new ATOM 0 HD12 LEU A 90 -2.767 -0.157 -3.201 1.00 2.31 H new ATOM 0 HD13 LEU A 90 -1.334 0.235 -4.180 1.00 2.31 H new ATOM 0 HD21 LEU A 90 -3.029 1.821 -6.244 1.00 41.35 H new ATOM 0 HD22 LEU A 90 -1.858 0.643 -6.883 1.00 41.35 H new ATOM 0 HD23 LEU A 90 -3.577 0.519 -7.327 1.00 41.35 H new ATOM 1327 N GLU A 91 -2.062 -4.430 -6.276 1.00 41.22 N ATOM 1328 CA GLU A 91 -2.544 -5.489 -7.092 1.00 44.15 C ATOM 1329 C GLU A 91 -3.865 -5.772 -6.491 1.00 22.44 C ATOM 1330 O GLU A 91 -4.032 -5.640 -5.266 1.00 64.54 O ATOM 1331 CB GLU A 91 -1.710 -6.797 -7.023 1.00 55.31 C ATOM 1332 CG GLU A 91 -2.130 -7.859 -8.069 1.00 61.42 C ATOM 1333 CD GLU A 91 -1.391 -9.146 -7.786 1.00 75.00 C ATOM 1334 OE1 GLU A 91 -0.176 -9.115 -7.575 1.00 11.22 O ATOM 1335 OE2 GLU A 91 -2.049 -10.207 -7.703 1.00 51.31 O ATOM 0 H GLU A 91 -2.105 -4.615 -5.274 1.00 41.22 H new ATOM 0 HA GLU A 91 -2.526 -5.194 -8.141 1.00 44.15 H new ATOM 0 HB2 GLU A 91 -0.657 -6.554 -7.167 1.00 55.31 H new ATOM 0 HB3 GLU A 91 -1.804 -7.225 -6.025 1.00 55.31 H new ATOM 0 HG2 GLU A 91 -3.206 -8.025 -8.026 1.00 61.42 H new ATOM 0 HG3 GLU A 91 -1.902 -7.507 -9.075 1.00 61.42 H new ATOM 1342 N LYS A 92 -4.856 -6.130 -7.320 1.00 31.53 N ATOM 1343 CA LYS A 92 -6.173 -6.443 -6.807 1.00 73.04 C ATOM 1344 C LYS A 92 -6.094 -7.557 -5.816 1.00 72.23 C ATOM 1345 O LYS A 92 -5.341 -8.528 -5.985 1.00 12.02 O ATOM 1346 CB LYS A 92 -7.212 -6.849 -7.879 1.00 0.32 C ATOM 1347 CG LYS A 92 -7.764 -5.665 -8.668 1.00 31.31 C ATOM 1348 CD LYS A 92 -8.418 -4.597 -7.771 1.00 62.43 C ATOM 1349 CE LYS A 92 -9.543 -5.132 -6.864 1.00 64.13 C ATOM 1350 NZ LYS A 92 -9.980 -4.074 -5.957 1.00 51.20 N ATOM 0 H LYS A 92 -4.761 -6.206 -8.333 1.00 31.53 H new ATOM 0 HA LYS A 92 -6.515 -5.512 -6.356 1.00 73.04 H new ATOM 0 HB2 LYS A 92 -6.752 -7.554 -8.571 1.00 0.32 H new ATOM 0 HB3 LYS A 92 -8.038 -7.370 -7.395 1.00 0.32 H new ATOM 0 HG2 LYS A 92 -6.956 -5.207 -9.239 1.00 31.31 H new ATOM 0 HG3 LYS A 92 -8.498 -6.026 -9.388 1.00 31.31 H new ATOM 0 HD2 LYS A 92 -7.649 -4.143 -7.146 1.00 62.43 H new ATOM 0 HD3 LYS A 92 -8.822 -3.806 -8.403 1.00 62.43 H new ATOM 0 HE2 LYS A 92 -10.381 -5.476 -7.470 1.00 64.13 H new ATOM 0 HE3 LYS A 92 -9.188 -5.991 -6.294 1.00 64.13 H new ATOM 0 HZ1 LYS A 92 -10.365 -4.498 -5.089 1.00 51.20 H new ATOM 0 HZ2 LYS A 92 -9.171 -3.467 -5.716 1.00 51.20 H new ATOM 0 HZ3 LYS A 92 -10.716 -3.503 -6.419 1.00 51.20 H new ATOM 1364 N GLY A 93 -6.897 -7.417 -4.759 1.00 41.41 N ATOM 1365 CA GLY A 93 -7.037 -8.427 -3.780 1.00 53.53 C ATOM 1366 C GLY A 93 -8.419 -8.911 -3.957 1.00 11.55 C ATOM 1367 O GLY A 93 -9.036 -8.669 -5.002 1.00 31.52 O ATOM 0 H GLY A 93 -7.459 -6.585 -4.583 1.00 41.41 H new ATOM 0 HA2 GLY A 93 -6.312 -9.228 -3.927 1.00 53.53 H new ATOM 0 HA3 GLY A 93 -6.878 -8.034 -2.776 1.00 53.53 H new