USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 747 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: B 126 GLN : amide:sc= -2.74! C(o=-2.3!,f=-5.3!) USER MOD Set 1.2: B 155 GLN : amide:sc= 0.442 K(o=-2.3,f=-3.1) USER MOD Set 2.1: B 140 GLN : amide:sc= -0.162 K(o=-0.28,f=-3.3) USER MOD Set 2.2: B 143 ASN :FLIP amide:sc= -0.12 F(o=-2.2,f=-0.28) USER MOD Set 3.1: B 121 ASN :FLIP amide:sc= -0.661 F(o=-6.3!,f=-2.4) USER MOD Set 3.2: B 152 ASN :FLIP amide:sc= -1.72 F(o=-5.6!,f=-2.4) USER MOD Set 4.1: A 23 ASN : amide:sc= -4.49! C(o=-8.9!,f=-12!) USER MOD Set 4.2: A 26 GLN :FLIP amide:sc= -4.26! C(o=-13!,f=-8.9!) USER MOD Set 4.3: A 55 GLN :FLIP amide:sc= -0.19 F(o=-11,f=-8.9) USER MOD Set 5.1: A 18 HIS : no HE2:sc= 0.58 K(o=1.6,f=-3.1) USER MOD Set 5.2: B 110 GLN :FLIP amide:sc= 1.02 F(o=-1.2,f=1.6) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.72! X(o=-1.7!,f=-1.6) USER MOD Single : A 10 GLN : amide:sc= -0.0102 K(o=-0.01,f=-0.96) USER MOD Single : A 11 ASN : amide:sc= -2.45! C(o=-2.5!,f=-4.2!) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.626 USER MOD Single : A 21 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.3) USER MOD Single : A 28 ASN : amide:sc= -4.43! C(o=-4.4!,f=-5.8!) USER MOD Single : A 32 GLN :FLIP amide:sc= -2.2! C(o=-3.5!,f=-2.2!) USER MOD Single : A 33 SER OG : rot 160:sc= -0.0843 USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= -1.14 (180deg=-2.48!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.081) USER MOD Single : A 41 SER OG : rot -93:sc= 1.12 USER MOD Single : A 43 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.76 K(o=-1.8,f=-13!) USER MOD Single : B 109 THR OG1 : rot 31:sc= -0.233 USER MOD Single : B 113 SER OG : rot 65:sc= 0.379 USER MOD Single : B 118 THR OG1 : rot -11:sc= 0.726 USER MOD Single : B 123 ASN : amide:sc= -0.182 K(o=-0.18,f=-0.83) USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 133 SER OG : rot 150:sc= -0.141 USER MOD Single : B 139 SER OG : rot 180:sc= 0.00475 USER MOD Single : B 141 SER OG : rot 120:sc= 0.846 USER MOD Single : B 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 150 LYS NZ :NH3+ -155:sc= -2.21! (180deg=-3.19!) USER MOD ----------------------------------------------------------------- ATOM 87 N ASN A 6 -4.579 -10.305 8.224 1.00 0.35 N ATOM 88 CA ASN A 6 -3.863 -10.744 9.415 1.00 0.37 C ATOM 89 C ASN A 6 -2.789 -9.738 9.825 1.00 0.37 C ATOM 90 O ASN A 6 -2.684 -8.657 9.247 1.00 0.36 O ATOM 91 CB ASN A 6 -3.230 -12.114 9.168 1.00 0.36 C ATOM 92 CG ASN A 6 -4.263 -13.217 9.044 1.00 0.97 C ATOM 93 OD1 ASN A 6 -4.651 -13.837 10.034 1.00 1.73 O ATOM 94 ND2 ASN A 6 -4.715 -13.471 7.821 1.00 1.69 N ATOM 0 HA ASN A 6 -4.582 -10.817 10.231 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -2.633 -12.076 8.257 1.00 0.36 H new ATOM 0 HB3 ASN A 6 -2.549 -12.349 9.986 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -5.410 -14.203 7.676 1.00 1.69 H new ATOM 0 HD22 ASN A 6 -4.367 -12.934 7.027 1.00 1.69 H new ATOM 101 N LYS A 7 -1.992 -10.106 10.825 1.00 0.40 N ATOM 102 CA LYS A 7 -0.931 -9.236 11.321 1.00 0.43 C ATOM 103 C LYS A 7 0.200 -9.104 10.305 1.00 0.40 C ATOM 104 O LYS A 7 0.567 -7.995 9.917 1.00 0.38 O ATOM 105 CB LYS A 7 -0.385 -9.772 12.647 1.00 0.52 C ATOM 106 CG LYS A 7 0.691 -8.896 13.264 1.00 0.58 C ATOM 107 CD LYS A 7 0.183 -7.490 13.527 1.00 0.60 C ATOM 108 CE LYS A 7 1.315 -6.568 13.934 1.00 1.39 C ATOM 109 NZ LYS A 7 1.778 -6.831 15.325 1.00 1.90 N ATOM 0 H LYS A 7 -2.062 -11.002 11.308 1.00 0.40 H new ATOM 0 HA LYS A 7 -1.358 -8.246 11.482 1.00 0.43 H new ATOM 0 HB2 LYS A 7 -1.208 -9.873 13.354 1.00 0.52 H new ATOM 0 HB3 LYS A 7 0.021 -10.771 12.485 1.00 0.52 H new ATOM 0 HG2 LYS A 7 1.032 -9.341 14.199 1.00 0.58 H new ATOM 0 HG3 LYS A 7 1.553 -8.854 12.598 1.00 0.58 H new ATOM 0 HD2 LYS A 7 -0.302 -7.102 12.631 1.00 0.60 H new ATOM 0 HD3 LYS A 7 -0.571 -7.514 14.313 1.00 0.60 H new ATOM 0 HE2 LYS A 7 2.150 -6.693 13.245 1.00 1.39 H new ATOM 0 HE3 LYS A 7 0.986 -5.532 13.851 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 2.552 -6.179 15.562 1.00 1.90 H new ATOM 0 HZ2 LYS A 7 0.989 -6.687 15.987 1.00 1.90 H new ATOM 0 HZ3 LYS A 7 2.117 -7.812 15.399 1.00 1.90 H new ATOM 123 N GLU A 8 0.753 -10.238 9.883 1.00 0.43 N ATOM 124 CA GLU A 8 1.845 -10.241 8.913 1.00 0.43 C ATOM 125 C GLU A 8 1.433 -9.524 7.632 1.00 0.37 C ATOM 126 O GLU A 8 2.266 -8.932 6.946 1.00 0.39 O ATOM 127 CB GLU A 8 2.278 -11.673 8.593 1.00 0.47 C ATOM 128 CG GLU A 8 2.704 -12.469 9.815 1.00 0.52 C ATOM 129 CD GLU A 8 3.216 -13.851 9.458 1.00 1.03 C ATOM 130 OE1 GLU A 8 4.412 -13.972 9.115 1.00 1.80 O ATOM 131 OE2 GLU A 8 2.423 -14.814 9.519 1.00 0.95 O ATOM 0 H GLU A 8 0.464 -11.165 10.196 1.00 0.43 H new ATOM 0 HA GLU A 8 2.688 -9.709 9.355 1.00 0.43 H new ATOM 0 HB2 GLU A 8 1.454 -12.191 8.102 1.00 0.47 H new ATOM 0 HB3 GLU A 8 3.105 -11.643 7.883 1.00 0.47 H new ATOM 0 HG2 GLU A 8 3.483 -11.923 10.347 1.00 0.52 H new ATOM 0 HG3 GLU A 8 1.858 -12.563 10.496 1.00 0.52 H new ATOM 138 N GLN A 9 0.143 -9.585 7.314 1.00 0.34 N ATOM 139 CA GLN A 9 -0.379 -8.936 6.120 1.00 0.33 C ATOM 140 C GLN A 9 -0.336 -7.420 6.278 1.00 0.30 C ATOM 141 O GLN A 9 -0.182 -6.686 5.302 1.00 0.32 O ATOM 142 CB GLN A 9 -1.812 -9.399 5.849 1.00 0.36 C ATOM 143 CG GLN A 9 -2.238 -9.234 4.401 1.00 0.38 C ATOM 144 CD GLN A 9 -3.653 -9.718 4.150 1.00 0.73 C ATOM 145 OE1 GLN A 9 -4.147 -10.615 4.833 1.00 1.44 O ATOM 146 NE2 GLN A 9 -4.312 -9.127 3.160 1.00 0.50 N ATOM 0 H GLN A 9 -0.558 -10.077 7.868 1.00 0.34 H new ATOM 0 HA GLN A 9 0.246 -9.215 5.272 1.00 0.33 H new ATOM 0 HB2 GLN A 9 -1.906 -10.448 6.130 1.00 0.36 H new ATOM 0 HB3 GLN A 9 -2.494 -8.836 6.486 1.00 0.36 H new ATOM 0 HG2 GLN A 9 -2.163 -8.183 4.122 1.00 0.38 H new ATOM 0 HG3 GLN A 9 -1.550 -9.785 3.759 1.00 0.38 H new ATOM 0 HE21 GLN A 9 -3.864 -8.387 2.619 1.00 0.50 H new ATOM 0 HE22 GLN A 9 -5.266 -9.413 2.940 1.00 0.50 H new ATOM 155 N GLN A 10 -0.476 -6.962 7.518 1.00 0.27 N ATOM 156 CA GLN A 10 -0.446 -5.535 7.821 1.00 0.25 C ATOM 157 C GLN A 10 0.991 -5.031 7.871 1.00 0.23 C ATOM 158 O GLN A 10 1.296 -3.939 7.390 1.00 0.26 O ATOM 159 CB GLN A 10 -1.142 -5.263 9.155 1.00 0.26 C ATOM 160 CG GLN A 10 -1.379 -3.788 9.436 1.00 0.26 C ATOM 161 CD GLN A 10 -1.902 -3.542 10.838 1.00 0.64 C ATOM 162 OE1 GLN A 10 -1.594 -4.289 11.767 1.00 1.18 O ATOM 163 NE2 GLN A 10 -2.698 -2.491 10.997 1.00 0.89 N ATOM 0 H GLN A 10 -0.612 -7.561 8.332 1.00 0.27 H new ATOM 0 HA GLN A 10 -0.976 -5.003 7.031 1.00 0.25 H new ATOM 0 HB2 GLN A 10 -2.100 -5.784 9.167 1.00 0.26 H new ATOM 0 HB3 GLN A 10 -0.540 -5.684 9.960 1.00 0.26 H new ATOM 0 HG2 GLN A 10 -0.447 -3.241 9.298 1.00 0.26 H new ATOM 0 HG3 GLN A 10 -2.091 -3.393 8.711 1.00 0.26 H new ATOM 0 HE21 GLN A 10 -2.927 -1.899 10.198 1.00 0.89 H new ATOM 0 HE22 GLN A 10 -3.081 -2.276 11.918 1.00 0.89 H new ATOM 172 N ASN A 11 1.868 -5.838 8.459 1.00 0.24 N ATOM 173 CA ASN A 11 3.278 -5.486 8.573 1.00 0.23 C ATOM 174 C ASN A 11 3.925 -5.409 7.196 1.00 0.21 C ATOM 175 O ASN A 11 4.677 -4.482 6.905 1.00 0.22 O ATOM 176 CB ASN A 11 4.010 -6.511 9.440 1.00 0.27 C ATOM 177 CG ASN A 11 3.482 -6.551 10.859 1.00 0.72 C ATOM 178 OD1 ASN A 11 3.011 -5.544 11.388 1.00 1.08 O ATOM 179 ND2 ASN A 11 3.556 -7.720 11.486 1.00 0.82 N ATOM 0 H ASN A 11 1.626 -6.742 8.865 1.00 0.24 H new ATOM 0 HA ASN A 11 3.351 -4.506 9.045 1.00 0.23 H new ATOM 0 HB2 ASN A 11 3.911 -7.499 8.991 1.00 0.27 H new ATOM 0 HB3 ASN A 11 5.074 -6.274 9.458 1.00 0.27 H new ATOM 0 HD21 ASN A 11 3.215 -7.808 12.443 1.00 0.82 H new ATOM 0 HD22 ASN A 11 3.954 -8.530 11.010 1.00 0.82 H new ATOM 186 N ALA A 12 3.624 -6.392 6.353 1.00 0.19 N ATOM 187 CA ALA A 12 4.172 -6.440 5.002 1.00 0.18 C ATOM 188 C ALA A 12 3.854 -5.160 4.238 1.00 0.15 C ATOM 189 O ALA A 12 4.705 -4.618 3.534 1.00 0.20 O ATOM 190 CB ALA A 12 3.627 -7.650 4.257 1.00 0.22 C ATOM 0 H ALA A 12 3.002 -7.167 6.582 1.00 0.19 H new ATOM 0 HA ALA A 12 5.256 -6.529 5.076 1.00 0.18 H new ATOM 0 HB1 ALA A 12 4.043 -7.675 3.250 1.00 0.22 H new ATOM 0 HB2 ALA A 12 3.906 -8.560 4.788 1.00 0.22 H new ATOM 0 HB3 ALA A 12 2.541 -7.583 4.199 1.00 0.22 H new ATOM 196 N PHE A 13 2.623 -4.684 4.385 1.00 0.13 N ATOM 197 CA PHE A 13 2.181 -3.465 3.716 1.00 0.11 C ATOM 198 C PHE A 13 3.079 -2.286 4.078 1.00 0.11 C ATOM 199 O PHE A 13 3.771 -1.735 3.223 1.00 0.15 O ATOM 200 CB PHE A 13 0.730 -3.163 4.103 1.00 0.14 C ATOM 201 CG PHE A 13 0.206 -1.856 3.573 1.00 0.12 C ATOM 202 CD1 PHE A 13 -0.366 -1.780 2.312 1.00 0.12 C ATOM 203 CD2 PHE A 13 0.277 -0.704 4.342 1.00 0.13 C ATOM 204 CE1 PHE A 13 -0.856 -0.582 1.830 1.00 0.11 C ATOM 205 CE2 PHE A 13 -0.209 0.496 3.864 1.00 0.13 C ATOM 206 CZ PHE A 13 -0.776 0.557 2.607 1.00 0.11 C ATOM 0 H PHE A 13 1.910 -5.126 4.965 1.00 0.13 H new ATOM 0 HA PHE A 13 2.244 -3.618 2.639 1.00 0.11 H new ATOM 0 HB2 PHE A 13 0.094 -3.970 3.739 1.00 0.14 H new ATOM 0 HB3 PHE A 13 0.650 -3.159 5.190 1.00 0.14 H new ATOM 0 HD1 PHE A 13 -0.429 -2.668 1.700 1.00 0.12 H new ATOM 0 HD2 PHE A 13 0.718 -0.747 5.327 1.00 0.13 H new ATOM 0 HE1 PHE A 13 -1.301 -0.536 0.847 1.00 0.11 H new ATOM 0 HE2 PHE A 13 -0.146 1.386 4.473 1.00 0.13 H new ATOM 0 HZ PHE A 13 -1.157 1.495 2.231 1.00 0.11 H new ATOM 216 N TYR A 14 3.066 -1.912 5.353 1.00 0.11 N ATOM 217 CA TYR A 14 3.867 -0.792 5.840 1.00 0.13 C ATOM 218 C TYR A 14 5.340 -0.945 5.477 1.00 0.13 C ATOM 219 O TYR A 14 5.956 -0.012 4.964 1.00 0.17 O ATOM 220 CB TYR A 14 3.715 -0.657 7.354 1.00 0.16 C ATOM 221 CG TYR A 14 2.332 -0.228 7.785 1.00 0.19 C ATOM 222 CD1 TYR A 14 1.816 1.003 7.400 1.00 0.24 C ATOM 223 CD2 TYR A 14 1.545 -1.049 8.583 1.00 0.26 C ATOM 224 CE1 TYR A 14 0.554 1.403 7.795 1.00 0.31 C ATOM 225 CE2 TYR A 14 0.281 -0.658 8.981 1.00 0.32 C ATOM 226 CZ TYR A 14 -0.208 0.570 8.587 1.00 0.33 C ATOM 227 OH TYR A 14 -1.464 0.966 8.985 1.00 0.42 O ATOM 0 H TYR A 14 2.507 -2.370 6.072 1.00 0.11 H new ATOM 0 HA TYR A 14 3.498 0.111 5.354 1.00 0.13 H new ATOM 0 HB2 TYR A 14 3.953 -1.612 7.822 1.00 0.16 H new ATOM 0 HB3 TYR A 14 4.442 0.067 7.721 1.00 0.16 H new ATOM 0 HD1 TYR A 14 2.411 1.658 6.782 1.00 0.24 H new ATOM 0 HD2 TYR A 14 1.928 -2.009 8.897 1.00 0.26 H new ATOM 0 HE1 TYR A 14 0.167 2.362 7.485 1.00 0.31 H new ATOM 0 HE2 TYR A 14 -0.321 -1.310 9.597 1.00 0.32 H new ATOM 0 HH TYR A 14 -1.869 0.265 9.537 1.00 0.42 H new ATOM 237 N GLU A 15 5.903 -2.119 5.752 1.00 0.11 N ATOM 238 CA GLU A 15 7.308 -2.383 5.456 1.00 0.12 C ATOM 239 C GLU A 15 7.636 -2.062 4.000 1.00 0.12 C ATOM 240 O GLU A 15 8.736 -1.605 3.688 1.00 0.19 O ATOM 241 CB GLU A 15 7.652 -3.841 5.762 1.00 0.13 C ATOM 242 CG GLU A 15 7.680 -4.160 7.247 1.00 0.19 C ATOM 243 CD GLU A 15 8.741 -3.373 7.992 1.00 1.16 C ATOM 244 OE1 GLU A 15 8.438 -2.251 8.448 1.00 2.16 O ATOM 245 OE2 GLU A 15 9.875 -3.880 8.118 1.00 1.08 O ATOM 0 H GLU A 15 5.408 -2.902 6.179 1.00 0.11 H new ATOM 0 HA GLU A 15 7.911 -1.734 6.091 1.00 0.12 H new ATOM 0 HB2 GLU A 15 6.923 -4.488 5.274 1.00 0.13 H new ATOM 0 HB3 GLU A 15 8.625 -4.074 5.330 1.00 0.13 H new ATOM 0 HG2 GLU A 15 6.703 -3.945 7.680 1.00 0.19 H new ATOM 0 HG3 GLU A 15 7.861 -5.226 7.383 1.00 0.19 H new ATOM 252 N ILE A 16 6.676 -2.305 3.114 1.00 0.10 N ATOM 253 CA ILE A 16 6.860 -2.036 1.693 1.00 0.09 C ATOM 254 C ILE A 16 6.853 -0.531 1.421 1.00 0.12 C ATOM 255 O ILE A 16 7.530 -0.051 0.512 1.00 0.16 O ATOM 256 CB ILE A 16 5.767 -2.730 0.851 1.00 0.10 C ATOM 257 CG1 ILE A 16 5.992 -4.244 0.851 1.00 0.12 C ATOM 258 CG2 ILE A 16 5.753 -2.195 -0.574 1.00 0.12 C ATOM 259 CD1 ILE A 16 4.850 -5.031 0.245 1.00 0.14 C ATOM 0 H ILE A 16 5.762 -2.688 3.355 1.00 0.10 H new ATOM 0 HA ILE A 16 7.829 -2.441 1.402 1.00 0.09 H new ATOM 0 HB ILE A 16 4.797 -2.514 1.299 1.00 0.10 H new ATOM 0 HG12 ILE A 16 6.906 -4.466 0.301 1.00 0.12 H new ATOM 0 HG13 ILE A 16 6.148 -4.579 1.877 1.00 0.12 H new ATOM 0 HG21 ILE A 16 4.974 -2.701 -1.145 1.00 0.12 H new ATOM 0 HG22 ILE A 16 5.554 -1.123 -0.558 1.00 0.12 H new ATOM 0 HG23 ILE A 16 6.721 -2.377 -1.041 1.00 0.12 H new ATOM 0 HD11 ILE A 16 5.082 -6.095 0.281 1.00 0.14 H new ATOM 0 HD12 ILE A 16 3.937 -4.840 0.809 1.00 0.14 H new ATOM 0 HD13 ILE A 16 4.707 -4.725 -0.791 1.00 0.14 H new ATOM 271 N LEU A 17 6.087 0.205 2.220 1.00 0.14 N ATOM 272 CA LEU A 17 5.995 1.655 2.075 1.00 0.19 C ATOM 273 C LEU A 17 7.212 2.346 2.687 1.00 0.18 C ATOM 274 O LEU A 17 7.624 3.414 2.234 1.00 0.26 O ATOM 275 CB LEU A 17 4.720 2.176 2.740 1.00 0.27 C ATOM 276 CG LEU A 17 3.466 2.126 1.867 1.00 0.35 C ATOM 277 CD1 LEU A 17 2.860 0.733 1.877 1.00 0.80 C ATOM 278 CD2 LEU A 17 2.456 3.156 2.341 1.00 0.77 C ATOM 0 H LEU A 17 5.520 -0.179 2.976 1.00 0.14 H new ATOM 0 HA LEU A 17 5.965 1.883 1.010 1.00 0.19 H new ATOM 0 HB2 LEU A 17 4.537 1.596 3.645 1.00 0.27 H new ATOM 0 HB3 LEU A 17 4.886 3.207 3.051 1.00 0.27 H new ATOM 0 HG LEU A 17 3.747 2.363 0.841 1.00 0.35 H new ATOM 0 HD11 LEU A 17 1.969 0.719 1.250 1.00 0.80 H new ATOM 0 HD12 LEU A 17 3.586 0.018 1.491 1.00 0.80 H new ATOM 0 HD13 LEU A 17 2.590 0.461 2.897 1.00 0.80 H new ATOM 0 HD21 LEU A 17 1.567 3.111 1.711 1.00 0.77 H new ATOM 0 HD22 LEU A 17 2.180 2.946 3.374 1.00 0.77 H new ATOM 0 HD23 LEU A 17 2.895 4.152 2.278 1.00 0.77 H new ATOM 290 N HIS A 18 7.786 1.725 3.715 1.00 0.16 N ATOM 291 CA HIS A 18 8.949 2.283 4.403 1.00 0.16 C ATOM 292 C HIS A 18 10.171 2.338 3.493 1.00 0.13 C ATOM 293 O HIS A 18 11.014 3.224 3.632 1.00 0.15 O ATOM 294 CB HIS A 18 9.273 1.465 5.653 1.00 0.17 C ATOM 295 CG HIS A 18 8.446 1.835 6.845 1.00 0.25 C ATOM 296 ND1 HIS A 18 8.988 2.091 8.088 1.00 0.58 N ATOM 297 CD2 HIS A 18 7.108 1.992 6.983 1.00 0.28 C ATOM 298 CE1 HIS A 18 8.020 2.386 8.936 1.00 0.60 C ATOM 299 NE2 HIS A 18 6.870 2.335 8.291 1.00 0.33 N ATOM 0 H HIS A 18 7.464 0.833 4.091 1.00 0.16 H new ATOM 0 HA HIS A 18 8.697 3.303 4.692 1.00 0.16 H new ATOM 0 HB2 HIS A 18 9.125 0.408 5.433 1.00 0.17 H new ATOM 0 HB3 HIS A 18 10.327 1.595 5.899 1.00 0.17 H new ATOM 0 HD1 HIS A 18 9.982 2.058 8.316 1.00 0.58 H new ATOM 0 HD2 HIS A 18 6.366 1.870 6.208 1.00 0.28 H new ATOM 0 HE1 HIS A 18 8.148 2.628 9.981 1.00 0.60 H new ATOM 308 N LEU A 19 10.267 1.385 2.570 1.00 0.14 N ATOM 309 CA LEU A 19 11.394 1.331 1.644 1.00 0.14 C ATOM 310 C LEU A 19 11.619 2.694 0.986 1.00 0.16 C ATOM 311 O LEU A 19 10.794 3.151 0.196 1.00 0.18 O ATOM 312 CB LEU A 19 11.153 0.255 0.583 1.00 0.12 C ATOM 313 CG LEU A 19 10.995 -1.165 1.133 1.00 0.11 C ATOM 314 CD1 LEU A 19 10.750 -2.151 0.003 1.00 0.13 C ATOM 315 CD2 LEU A 19 12.224 -1.567 1.936 1.00 0.12 C ATOM 0 H LEU A 19 9.580 0.642 2.444 1.00 0.14 H new ATOM 0 HA LEU A 19 12.292 1.073 2.205 1.00 0.14 H new ATOM 0 HB2 LEU A 19 10.256 0.514 0.021 1.00 0.12 H new ATOM 0 HB3 LEU A 19 11.985 0.266 -0.121 1.00 0.12 H new ATOM 0 HG LEU A 19 10.131 -1.182 1.797 1.00 0.11 H new ATOM 0 HD11 LEU A 19 10.640 -3.155 0.413 1.00 0.13 H new ATOM 0 HD12 LEU A 19 9.840 -1.875 -0.530 1.00 0.13 H new ATOM 0 HD13 LEU A 19 11.594 -2.131 -0.687 1.00 0.13 H new ATOM 0 HD21 LEU A 19 12.093 -2.579 2.319 1.00 0.12 H new ATOM 0 HD22 LEU A 19 13.105 -1.532 1.295 1.00 0.12 H new ATOM 0 HD23 LEU A 19 12.355 -0.878 2.770 1.00 0.12 H new ATOM 327 N PRO A 20 12.747 3.363 1.309 1.00 0.18 N ATOM 328 CA PRO A 20 13.069 4.682 0.760 1.00 0.21 C ATOM 329 C PRO A 20 13.659 4.617 -0.645 1.00 0.21 C ATOM 330 O PRO A 20 13.246 5.361 -1.535 1.00 0.23 O ATOM 331 CB PRO A 20 14.105 5.210 1.748 1.00 0.24 C ATOM 332 CG PRO A 20 14.822 3.990 2.217 1.00 0.22 C ATOM 333 CD PRO A 20 13.798 2.883 2.231 1.00 0.19 C ATOM 0 HA PRO A 20 12.183 5.308 0.654 1.00 0.21 H new ATOM 0 HB2 PRO A 20 14.787 5.914 1.271 1.00 0.24 H new ATOM 0 HB3 PRO A 20 13.632 5.737 2.577 1.00 0.24 H new ATOM 0 HG2 PRO A 20 15.651 3.746 1.553 1.00 0.22 H new ATOM 0 HG3 PRO A 20 15.244 4.143 3.210 1.00 0.22 H new ATOM 0 HD2 PRO A 20 14.225 1.939 1.894 1.00 0.19 H new ATOM 0 HD3 PRO A 20 13.404 2.715 3.233 1.00 0.19 H new ATOM 341 N ASN A 21 14.626 3.727 -0.838 1.00 0.20 N ATOM 342 CA ASN A 21 15.274 3.575 -2.134 1.00 0.21 C ATOM 343 C ASN A 21 14.285 3.079 -3.179 1.00 0.20 C ATOM 344 O ASN A 21 14.445 3.338 -4.372 1.00 0.23 O ATOM 345 CB ASN A 21 16.459 2.614 -2.023 1.00 0.21 C ATOM 346 CG ASN A 21 17.522 3.120 -1.068 1.00 0.26 C ATOM 347 OD1 ASN A 21 17.705 4.327 -0.909 1.00 0.30 O ATOM 348 ND2 ASN A 21 18.227 2.199 -0.423 1.00 0.26 N ATOM 0 H ASN A 21 14.978 3.101 -0.114 1.00 0.20 H new ATOM 0 HA ASN A 21 15.642 4.551 -2.450 1.00 0.21 H new ATOM 0 HB2 ASN A 21 16.104 1.640 -1.685 1.00 0.21 H new ATOM 0 HB3 ASN A 21 16.899 2.468 -3.009 1.00 0.21 H new ATOM 0 HD21 ASN A 21 18.954 2.481 0.235 1.00 0.26 H new ATOM 0 HD22 ASN A 21 18.042 1.209 -0.585 1.00 0.26 H new ATOM 355 N LEU A 22 13.259 2.369 -2.722 1.00 0.18 N ATOM 356 CA LEU A 22 12.237 1.843 -3.618 1.00 0.17 C ATOM 357 C LEU A 22 11.340 2.971 -4.109 1.00 0.20 C ATOM 358 O LEU A 22 10.888 3.802 -3.321 1.00 0.26 O ATOM 359 CB LEU A 22 11.391 0.787 -2.905 1.00 0.17 C ATOM 360 CG LEU A 22 10.620 -0.156 -3.830 1.00 0.17 C ATOM 361 CD1 LEU A 22 11.527 -1.270 -4.327 1.00 0.29 C ATOM 362 CD2 LEU A 22 9.406 -0.733 -3.118 1.00 0.26 C ATOM 0 H LEU A 22 13.114 2.145 -1.738 1.00 0.18 H new ATOM 0 HA LEU A 22 12.733 1.380 -4.471 1.00 0.17 H new ATOM 0 HB2 LEU A 22 12.043 0.192 -2.266 1.00 0.17 H new ATOM 0 HB3 LEU A 22 10.680 1.293 -2.252 1.00 0.17 H new ATOM 0 HG LEU A 22 10.271 0.415 -4.690 1.00 0.17 H new ATOM 0 HD11 LEU A 22 10.963 -1.932 -4.984 1.00 0.29 H new ATOM 0 HD12 LEU A 22 12.364 -0.840 -4.877 1.00 0.29 H new ATOM 0 HD13 LEU A 22 11.905 -1.838 -3.477 1.00 0.29 H new ATOM 0 HD21 LEU A 22 8.871 -1.401 -3.793 1.00 0.26 H new ATOM 0 HD22 LEU A 22 9.730 -1.289 -2.239 1.00 0.26 H new ATOM 0 HD23 LEU A 22 8.745 0.077 -2.811 1.00 0.26 H new ATOM 374 N ASN A 23 11.082 2.998 -5.410 1.00 0.22 N ATOM 375 CA ASN A 23 10.235 4.031 -5.990 1.00 0.27 C ATOM 376 C ASN A 23 8.769 3.619 -5.942 1.00 0.24 C ATOM 377 O ASN A 23 8.451 2.460 -5.673 1.00 0.29 O ATOM 378 CB ASN A 23 10.656 4.336 -7.429 1.00 0.33 C ATOM 379 CG ASN A 23 10.842 3.083 -8.260 1.00 0.75 C ATOM 380 OD1 ASN A 23 9.897 2.580 -8.866 1.00 1.59 O ATOM 381 ND2 ASN A 23 12.069 2.576 -8.298 1.00 1.33 N ATOM 0 H ASN A 23 11.445 2.320 -6.080 1.00 0.22 H new ATOM 0 HA ASN A 23 10.357 4.937 -5.397 1.00 0.27 H new ATOM 0 HB2 ASN A 23 9.903 4.970 -7.897 1.00 0.33 H new ATOM 0 HB3 ASN A 23 11.587 4.902 -7.419 1.00 0.33 H new ATOM 0 HD21 ASN A 23 12.257 1.736 -8.846 1.00 1.33 H new ATOM 0 HD22 ASN A 23 12.823 3.026 -7.780 1.00 1.33 H new ATOM 388 N GLU A 24 7.880 4.569 -6.202 1.00 0.29 N ATOM 389 CA GLU A 24 6.447 4.303 -6.175 1.00 0.29 C ATOM 390 C GLU A 24 6.050 3.291 -7.246 1.00 0.24 C ATOM 391 O GLU A 24 5.187 2.446 -7.021 1.00 0.22 O ATOM 392 CB GLU A 24 5.664 5.601 -6.371 1.00 0.36 C ATOM 393 CG GLU A 24 5.984 6.667 -5.336 1.00 1.23 C ATOM 394 CD GLU A 24 5.171 7.929 -5.532 1.00 1.42 C ATOM 395 OE1 GLU A 24 4.054 8.007 -4.981 1.00 2.17 O ATOM 396 OE2 GLU A 24 5.651 8.841 -6.238 1.00 1.25 O ATOM 0 H GLU A 24 8.126 5.531 -6.434 1.00 0.29 H new ATOM 0 HA GLU A 24 6.205 3.880 -5.200 1.00 0.29 H new ATOM 0 HB2 GLU A 24 5.875 5.996 -7.365 1.00 0.36 H new ATOM 0 HB3 GLU A 24 4.597 5.381 -6.336 1.00 0.36 H new ATOM 0 HG2 GLU A 24 5.796 6.269 -4.339 1.00 1.23 H new ATOM 0 HG3 GLU A 24 7.045 6.911 -5.387 1.00 1.23 H new ATOM 403 N GLU A 25 6.686 3.381 -8.411 1.00 0.27 N ATOM 404 CA GLU A 25 6.387 2.474 -9.517 1.00 0.28 C ATOM 405 C GLU A 25 6.547 1.016 -9.094 1.00 0.24 C ATOM 406 O GLU A 25 5.717 0.170 -9.427 1.00 0.30 O ATOM 407 CB GLU A 25 7.296 2.772 -10.712 1.00 0.36 C ATOM 408 CG GLU A 25 7.143 4.183 -11.256 1.00 0.91 C ATOM 409 CD GLU A 25 8.090 4.468 -12.404 1.00 1.60 C ATOM 410 OE1 GLU A 25 7.713 4.205 -13.564 1.00 2.00 O ATOM 411 OE2 GLU A 25 9.211 4.955 -12.142 1.00 2.20 O ATOM 0 H GLU A 25 7.410 4.070 -8.614 1.00 0.27 H new ATOM 0 HA GLU A 25 5.349 2.635 -9.808 1.00 0.28 H new ATOM 0 HB2 GLU A 25 8.334 2.616 -10.416 1.00 0.36 H new ATOM 0 HB3 GLU A 25 7.081 2.059 -11.508 1.00 0.36 H new ATOM 0 HG2 GLU A 25 6.116 4.330 -11.591 1.00 0.91 H new ATOM 0 HG3 GLU A 25 7.323 4.899 -10.454 1.00 0.91 H new ATOM 418 N GLN A 26 7.617 0.731 -8.361 1.00 0.18 N ATOM 419 CA GLN A 26 7.884 -0.625 -7.891 1.00 0.15 C ATOM 420 C GLN A 26 6.983 -0.971 -6.712 1.00 0.13 C ATOM 421 O GLN A 26 6.373 -2.040 -6.676 1.00 0.16 O ATOM 422 CB GLN A 26 9.352 -0.762 -7.491 1.00 0.15 C ATOM 423 CG GLN A 26 10.313 -0.520 -8.642 1.00 0.19 C ATOM 424 CD GLN A 26 11.750 -0.389 -8.196 1.00 1.03 C ATOM 425 OE1 GLN A 26 11.948 0.104 -6.985 1.00 2.00 O flip ATOM 426 NE2 GLN A 26 12.675 -0.729 -8.933 1.00 1.59 N flip ATOM 0 H GLN A 26 8.314 1.420 -8.079 1.00 0.18 H new ATOM 0 HA GLN A 26 7.672 -1.321 -8.702 1.00 0.15 H new ATOM 0 HB2 GLN A 26 9.571 -0.056 -6.690 1.00 0.15 H new ATOM 0 HB3 GLN A 26 9.520 -1.761 -7.090 1.00 0.15 H new ATOM 0 HG2 GLN A 26 10.233 -1.342 -9.353 1.00 0.19 H new ATOM 0 HG3 GLN A 26 10.018 0.387 -9.169 1.00 0.19 H new ATOM 0 HE21 GLN A 26 12.477 -1.105 -9.860 1.00 1.59 H new ATOM 0 HE22 GLN A 26 13.640 -0.635 -8.617 1.00 1.59 H new ATOM 435 N ARG A 27 6.909 -0.055 -5.753 1.00 0.13 N ATOM 436 CA ARG A 27 6.084 -0.243 -4.565 1.00 0.13 C ATOM 437 C ARG A 27 4.638 -0.560 -4.943 1.00 0.14 C ATOM 438 O ARG A 27 3.970 -1.344 -4.271 1.00 0.23 O ATOM 439 CB ARG A 27 6.128 1.012 -3.693 1.00 0.14 C ATOM 440 CG ARG A 27 5.325 0.890 -2.409 1.00 0.18 C ATOM 441 CD ARG A 27 5.177 2.236 -1.718 1.00 0.41 C ATOM 442 NE ARG A 27 6.470 2.817 -1.362 1.00 1.59 N ATOM 443 CZ ARG A 27 6.864 4.028 -1.742 1.00 1.94 C ATOM 444 NH1 ARG A 27 6.076 4.780 -2.501 1.00 1.37 N ATOM 445 NH2 ARG A 27 8.051 4.487 -1.367 1.00 3.04 N ATOM 0 H ARG A 27 7.414 0.831 -5.776 1.00 0.13 H new ATOM 0 HA ARG A 27 6.485 -1.088 -4.005 1.00 0.13 H new ATOM 0 HB2 ARG A 27 7.165 1.234 -3.443 1.00 0.14 H new ATOM 0 HB3 ARG A 27 5.751 1.857 -4.268 1.00 0.14 H new ATOM 0 HG2 ARG A 27 4.339 0.483 -2.632 1.00 0.18 H new ATOM 0 HG3 ARG A 27 5.815 0.186 -1.737 1.00 0.18 H new ATOM 0 HD2 ARG A 27 4.640 2.922 -2.373 1.00 0.41 H new ATOM 0 HD3 ARG A 27 4.574 2.117 -0.818 1.00 0.41 H new ATOM 0 HE ARG A 27 7.106 2.262 -0.790 1.00 1.59 H new ATOM 0 HH11 ARG A 27 5.164 4.429 -2.795 1.00 1.37 H new ATOM 0 HH12 ARG A 27 6.382 5.709 -2.790 1.00 1.37 H new ATOM 0 HH21 ARG A 27 8.661 3.910 -0.787 1.00 3.04 H new ATOM 0 HH22 ARG A 27 8.354 5.416 -1.658 1.00 3.04 H new ATOM 459 N ASN A 28 4.163 0.056 -6.022 1.00 0.13 N ATOM 460 CA ASN A 28 2.797 -0.157 -6.489 1.00 0.15 C ATOM 461 C ASN A 28 2.594 -1.595 -6.947 1.00 0.15 C ATOM 462 O ASN A 28 1.555 -2.200 -6.685 1.00 0.21 O ATOM 463 CB ASN A 28 2.469 0.804 -7.635 1.00 0.19 C ATOM 464 CG ASN A 28 2.138 2.202 -7.153 1.00 0.20 C ATOM 465 OD1 ASN A 28 1.332 2.905 -7.763 1.00 0.26 O ATOM 466 ND2 ASN A 28 2.762 2.615 -6.057 1.00 0.19 N ATOM 0 H ASN A 28 4.705 0.707 -6.590 1.00 0.13 H new ATOM 0 HA ASN A 28 2.123 0.038 -5.655 1.00 0.15 H new ATOM 0 HB2 ASN A 28 3.318 0.851 -8.317 1.00 0.19 H new ATOM 0 HB3 ASN A 28 1.625 0.411 -8.202 1.00 0.19 H new ATOM 0 HD21 ASN A 28 2.581 3.549 -5.688 1.00 0.19 H new ATOM 0 HD22 ASN A 28 3.422 1.999 -5.583 1.00 0.19 H new ATOM 473 N ALA A 29 3.594 -2.136 -7.635 1.00 0.12 N ATOM 474 CA ALA A 29 3.528 -3.504 -8.133 1.00 0.12 C ATOM 475 C ALA A 29 3.380 -4.496 -6.984 1.00 0.11 C ATOM 476 O ALA A 29 2.634 -5.471 -7.086 1.00 0.15 O ATOM 477 CB ALA A 29 4.766 -3.825 -8.959 1.00 0.15 C ATOM 0 H ALA A 29 4.460 -1.647 -7.860 1.00 0.12 H new ATOM 0 HA ALA A 29 2.649 -3.593 -8.771 1.00 0.12 H new ATOM 0 HB1 ALA A 29 4.704 -4.850 -9.325 1.00 0.15 H new ATOM 0 HB2 ALA A 29 4.826 -3.141 -9.805 1.00 0.15 H new ATOM 0 HB3 ALA A 29 5.656 -3.715 -8.339 1.00 0.15 H new ATOM 483 N PHE A 30 4.093 -4.241 -5.892 1.00 0.10 N ATOM 484 CA PHE A 30 4.034 -5.109 -4.723 1.00 0.10 C ATOM 485 C PHE A 30 2.674 -4.998 -4.042 1.00 0.12 C ATOM 486 O PHE A 30 2.046 -6.008 -3.729 1.00 0.18 O ATOM 487 CB PHE A 30 5.153 -4.761 -3.741 1.00 0.12 C ATOM 488 CG PHE A 30 6.525 -5.069 -4.272 1.00 0.12 C ATOM 489 CD1 PHE A 30 6.961 -6.380 -4.381 1.00 0.12 C ATOM 490 CD2 PHE A 30 7.375 -4.049 -4.664 1.00 0.18 C ATOM 491 CE1 PHE A 30 8.221 -6.667 -4.873 1.00 0.16 C ATOM 492 CE2 PHE A 30 8.635 -4.329 -5.156 1.00 0.21 C ATOM 493 CZ PHE A 30 9.058 -5.640 -5.259 1.00 0.20 C ATOM 0 H PHE A 30 4.718 -3.441 -5.793 1.00 0.10 H new ATOM 0 HA PHE A 30 4.171 -6.139 -5.052 1.00 0.10 H new ATOM 0 HB2 PHE A 30 5.095 -3.701 -3.496 1.00 0.12 H new ATOM 0 HB3 PHE A 30 4.998 -5.312 -2.813 1.00 0.12 H new ATOM 0 HD1 PHE A 30 6.309 -7.186 -4.078 1.00 0.12 H new ATOM 0 HD2 PHE A 30 7.049 -3.022 -4.584 1.00 0.18 H new ATOM 0 HE1 PHE A 30 8.549 -7.693 -4.955 1.00 0.16 H new ATOM 0 HE2 PHE A 30 9.288 -3.524 -5.460 1.00 0.21 H new ATOM 0 HZ PHE A 30 10.043 -5.861 -5.642 1.00 0.20 H new ATOM 503 N ILE A 31 2.225 -3.765 -3.818 1.00 0.10 N ATOM 504 CA ILE A 31 0.931 -3.525 -3.192 1.00 0.11 C ATOM 505 C ILE A 31 -0.176 -4.181 -4.014 1.00 0.11 C ATOM 506 O ILE A 31 -1.176 -4.652 -3.472 1.00 0.16 O ATOM 507 CB ILE A 31 0.654 -2.009 -3.047 1.00 0.11 C ATOM 508 CG1 ILE A 31 1.654 -1.387 -2.068 1.00 0.12 C ATOM 509 CG2 ILE A 31 -0.778 -1.756 -2.584 1.00 0.13 C ATOM 510 CD1 ILE A 31 1.522 0.114 -1.924 1.00 0.13 C ATOM 0 H ILE A 31 2.739 -2.918 -4.061 1.00 0.10 H new ATOM 0 HA ILE A 31 0.949 -3.964 -2.195 1.00 0.11 H new ATOM 0 HB ILE A 31 0.776 -1.540 -4.023 1.00 0.11 H new ATOM 0 HG12 ILE A 31 1.524 -1.848 -1.089 1.00 0.12 H new ATOM 0 HG13 ILE A 31 2.665 -1.622 -2.399 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -0.946 -0.683 -2.490 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -1.475 -2.170 -3.313 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -0.938 -2.234 -1.618 1.00 0.13 H new ATOM 0 HD11 ILE A 31 2.265 0.478 -1.214 1.00 0.13 H new ATOM 0 HD12 ILE A 31 1.683 0.588 -2.892 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.523 0.358 -1.562 1.00 0.13 H new ATOM 522 N GLN A 32 0.021 -4.206 -5.328 1.00 0.08 N ATOM 523 CA GLN A 32 -0.929 -4.813 -6.246 1.00 0.09 C ATOM 524 C GLN A 32 -1.051 -6.314 -5.994 1.00 0.11 C ATOM 525 O GLN A 32 -2.142 -6.825 -5.739 1.00 0.19 O ATOM 526 CB GLN A 32 -0.470 -4.568 -7.682 1.00 0.11 C ATOM 527 CG GLN A 32 -1.603 -4.471 -8.681 1.00 0.15 C ATOM 528 CD GLN A 32 -1.109 -4.202 -10.090 1.00 0.29 C ATOM 529 OE1 GLN A 32 -1.807 -4.744 -11.079 1.00 0.82 O flip ATOM 530 NE2 GLN A 32 -0.102 -3.521 -10.286 1.00 1.04 N flip ATOM 0 H GLN A 32 0.842 -3.807 -5.783 1.00 0.08 H new ATOM 0 HA GLN A 32 -1.907 -4.360 -6.085 1.00 0.09 H new ATOM 0 HB2 GLN A 32 0.110 -3.646 -7.715 1.00 0.11 H new ATOM 0 HB3 GLN A 32 0.198 -5.376 -7.982 1.00 0.11 H new ATOM 0 HG2 GLN A 32 -2.174 -5.399 -8.670 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -2.283 -3.675 -8.379 1.00 0.15 H new ATOM 0 HE21 GLN A 32 0.406 -3.122 -9.496 1.00 1.04 H new ATOM 0 HE22 GLN A 32 0.224 -3.356 -11.238 1.00 1.04 H new ATOM 539 N SER A 33 0.080 -7.012 -6.065 1.00 0.09 N ATOM 540 CA SER A 33 0.110 -8.455 -5.857 1.00 0.11 C ATOM 541 C SER A 33 -0.175 -8.814 -4.402 1.00 0.10 C ATOM 542 O SER A 33 -0.532 -9.952 -4.095 1.00 0.15 O ATOM 543 CB SER A 33 1.466 -9.022 -6.277 1.00 0.13 C ATOM 544 OG SER A 33 1.509 -10.428 -6.099 1.00 1.19 O ATOM 0 H SER A 33 0.990 -6.598 -6.266 1.00 0.09 H new ATOM 0 HA SER A 33 -0.672 -8.896 -6.474 1.00 0.11 H new ATOM 0 HB2 SER A 33 1.657 -8.779 -7.322 1.00 0.13 H new ATOM 0 HB3 SER A 33 2.257 -8.554 -5.691 1.00 0.13 H new ATOM 0 HG SER A 33 2.225 -10.806 -6.651 1.00 1.19 H new ATOM 550 N LEU A 34 -0.013 -7.844 -3.509 1.00 0.10 N ATOM 551 CA LEU A 34 -0.258 -8.068 -2.089 1.00 0.11 C ATOM 552 C LEU A 34 -1.749 -8.247 -1.832 1.00 0.13 C ATOM 553 O LEU A 34 -2.164 -9.149 -1.103 1.00 0.18 O ATOM 554 CB LEU A 34 0.275 -6.893 -1.260 1.00 0.10 C ATOM 555 CG LEU A 34 0.844 -7.259 0.116 1.00 0.13 C ATOM 556 CD1 LEU A 34 1.325 -6.011 0.840 1.00 0.16 C ATOM 557 CD2 LEU A 34 -0.193 -7.994 0.956 1.00 0.17 C ATOM 0 H LEU A 34 0.286 -6.897 -3.742 1.00 0.10 H new ATOM 0 HA LEU A 34 0.266 -8.976 -1.790 1.00 0.11 H new ATOM 0 HB2 LEU A 34 1.054 -6.390 -1.834 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.532 -6.174 -1.120 1.00 0.10 H new ATOM 0 HG LEU A 34 1.693 -7.925 -0.034 1.00 0.13 H new ATOM 0 HD11 LEU A 34 1.726 -6.288 1.815 1.00 0.16 H new ATOM 0 HD12 LEU A 34 2.104 -5.526 0.251 1.00 0.16 H new ATOM 0 HD13 LEU A 34 0.490 -5.323 0.973 1.00 0.16 H new ATOM 0 HD21 LEU A 34 0.235 -8.242 1.927 1.00 0.17 H new ATOM 0 HD22 LEU A 34 -1.066 -7.356 1.097 1.00 0.17 H new ATOM 0 HD23 LEU A 34 -0.491 -8.910 0.446 1.00 0.17 H new ATOM 569 N LYS A 35 -2.549 -7.380 -2.441 1.00 0.15 N ATOM 570 CA LYS A 35 -3.997 -7.428 -2.288 1.00 0.19 C ATOM 571 C LYS A 35 -4.590 -8.587 -3.084 1.00 0.22 C ATOM 572 O LYS A 35 -5.588 -9.184 -2.678 1.00 0.31 O ATOM 573 CB LYS A 35 -4.608 -6.104 -2.743 1.00 0.23 C ATOM 574 CG LYS A 35 -6.120 -6.063 -2.659 1.00 0.23 C ATOM 575 CD LYS A 35 -6.579 -5.863 -1.230 1.00 0.24 C ATOM 576 CE LYS A 35 -7.948 -5.219 -1.179 1.00 0.22 C ATOM 577 NZ LYS A 35 -9.040 -6.208 -1.402 1.00 0.46 N ATOM 0 H LYS A 35 -2.216 -6.631 -3.049 1.00 0.15 H new ATOM 0 HA LYS A 35 -4.231 -7.588 -1.235 1.00 0.19 H new ATOM 0 HB2 LYS A 35 -4.198 -5.298 -2.134 1.00 0.23 H new ATOM 0 HB3 LYS A 35 -4.306 -5.911 -3.772 1.00 0.23 H new ATOM 0 HG2 LYS A 35 -6.501 -5.255 -3.283 1.00 0.23 H new ATOM 0 HG3 LYS A 35 -6.535 -6.991 -3.051 1.00 0.23 H new ATOM 0 HD2 LYS A 35 -6.607 -6.824 -0.717 1.00 0.24 H new ATOM 0 HD3 LYS A 35 -5.861 -5.239 -0.699 1.00 0.24 H new ATOM 0 HE2 LYS A 35 -8.087 -4.739 -0.210 1.00 0.22 H new ATOM 0 HE3 LYS A 35 -8.008 -4.436 -1.935 1.00 0.22 H new ATOM 0 HZ1 LYS A 35 -9.868 -5.726 -1.807 1.00 0.46 H new ATOM 0 HZ2 LYS A 35 -8.712 -6.945 -2.059 1.00 0.46 H new ATOM 0 HZ3 LYS A 35 -9.303 -6.645 -0.496 1.00 0.46 H new ATOM 591 N ASP A 36 -3.972 -8.898 -4.218 1.00 0.23 N ATOM 592 CA ASP A 36 -4.437 -9.988 -5.070 1.00 0.28 C ATOM 593 C ASP A 36 -3.975 -11.333 -4.519 1.00 0.25 C ATOM 594 O ASP A 36 -4.580 -12.369 -4.794 1.00 0.33 O ATOM 595 CB ASP A 36 -3.920 -9.806 -6.498 1.00 0.34 C ATOM 596 CG ASP A 36 -4.522 -10.806 -7.465 1.00 1.07 C ATOM 597 OD1 ASP A 36 -5.663 -10.581 -7.918 1.00 0.96 O ATOM 598 OD2 ASP A 36 -3.852 -11.816 -7.768 1.00 2.07 O ATOM 0 H ASP A 36 -3.147 -8.411 -4.569 1.00 0.23 H new ATOM 0 HA ASP A 36 -5.527 -9.970 -5.083 1.00 0.28 H new ATOM 0 HB2 ASP A 36 -4.147 -8.795 -6.837 1.00 0.34 H new ATOM 0 HB3 ASP A 36 -2.835 -9.908 -6.504 1.00 0.34 H new ATOM 603 N ASP A 37 -2.898 -11.303 -3.741 1.00 0.20 N ATOM 604 CA ASP A 37 -2.342 -12.514 -3.147 1.00 0.22 C ATOM 605 C ASP A 37 -1.687 -12.208 -1.799 1.00 0.18 C ATOM 606 O ASP A 37 -0.465 -12.076 -1.713 1.00 0.16 O ATOM 607 CB ASP A 37 -1.316 -13.147 -4.091 1.00 0.27 C ATOM 608 CG ASP A 37 -1.933 -13.599 -5.399 1.00 0.76 C ATOM 609 OD1 ASP A 37 -2.579 -14.669 -5.412 1.00 0.91 O ATOM 610 OD2 ASP A 37 -1.772 -12.884 -6.409 1.00 1.29 O ATOM 0 H ASP A 37 -2.391 -10.450 -3.506 1.00 0.20 H new ATOM 0 HA ASP A 37 -3.159 -13.217 -2.985 1.00 0.22 H new ATOM 0 HB2 ASP A 37 -0.523 -12.427 -4.296 1.00 0.27 H new ATOM 0 HB3 ASP A 37 -0.851 -14.001 -3.598 1.00 0.27 H new ATOM 615 N PRO A 38 -2.493 -12.087 -0.728 1.00 0.21 N ATOM 616 CA PRO A 38 -1.983 -11.796 0.618 1.00 0.21 C ATOM 617 C PRO A 38 -1.035 -12.877 1.129 1.00 0.21 C ATOM 618 O PRO A 38 -0.321 -12.675 2.111 1.00 0.23 O ATOM 619 CB PRO A 38 -3.248 -11.739 1.485 1.00 0.27 C ATOM 620 CG PRO A 38 -4.288 -12.465 0.702 1.00 0.30 C ATOM 621 CD PRO A 38 -3.960 -12.217 -0.740 1.00 0.26 C ATOM 0 HA PRO A 38 -1.400 -10.875 0.636 1.00 0.21 H new ATOM 0 HB2 PRO A 38 -3.083 -12.210 2.454 1.00 0.27 H new ATOM 0 HB3 PRO A 38 -3.547 -10.709 1.678 1.00 0.27 H new ATOM 0 HG2 PRO A 38 -4.275 -13.531 0.928 1.00 0.30 H new ATOM 0 HG3 PRO A 38 -5.286 -12.100 0.945 1.00 0.30 H new ATOM 0 HD2 PRO A 38 -4.287 -13.040 -1.376 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -4.442 -11.314 -1.114 1.00 0.26 H new ATOM 629 N SER A 39 -1.033 -14.025 0.457 1.00 0.21 N ATOM 630 CA SER A 39 -0.167 -15.135 0.842 1.00 0.23 C ATOM 631 C SER A 39 1.287 -14.828 0.498 1.00 0.21 C ATOM 632 O SER A 39 2.210 -15.360 1.113 1.00 0.24 O ATOM 633 CB SER A 39 -0.610 -16.422 0.145 1.00 0.26 C ATOM 634 OG SER A 39 -1.940 -16.760 0.496 1.00 1.37 O ATOM 0 H SER A 39 -1.621 -14.211 -0.356 1.00 0.21 H new ATOM 0 HA SER A 39 -0.247 -15.272 1.920 1.00 0.23 H new ATOM 0 HB2 SER A 39 -0.536 -16.298 -0.935 1.00 0.26 H new ATOM 0 HB3 SER A 39 0.060 -17.237 0.419 1.00 0.26 H new ATOM 0 HG SER A 39 -2.200 -17.585 0.036 1.00 1.37 H new ATOM 640 N GLN A 40 1.476 -13.962 -0.492 1.00 0.19 N ATOM 641 CA GLN A 40 2.810 -13.569 -0.930 1.00 0.18 C ATOM 642 C GLN A 40 3.337 -12.415 -0.084 1.00 0.16 C ATOM 643 O GLN A 40 4.428 -11.904 -0.328 1.00 0.16 O ATOM 644 CB GLN A 40 2.792 -13.170 -2.406 1.00 0.21 C ATOM 645 CG GLN A 40 2.249 -14.254 -3.323 1.00 0.27 C ATOM 646 CD GLN A 40 3.046 -15.542 -3.241 1.00 0.34 C ATOM 647 OE1 GLN A 40 4.010 -15.737 -3.981 1.00 0.62 O ATOM 648 NE2 GLN A 40 2.645 -16.429 -2.338 1.00 0.69 N ATOM 0 H GLN A 40 0.717 -13.517 -1.009 1.00 0.19 H new ATOM 0 HA GLN A 40 3.474 -14.424 -0.804 1.00 0.18 H new ATOM 0 HB2 GLN A 40 2.188 -12.270 -2.523 1.00 0.21 H new ATOM 0 HB3 GLN A 40 3.805 -12.916 -2.718 1.00 0.21 H new ATOM 0 HG2 GLN A 40 1.210 -14.457 -3.064 1.00 0.27 H new ATOM 0 HG3 GLN A 40 2.256 -13.892 -4.351 1.00 0.27 H new ATOM 0 HE21 GLN A 40 1.840 -16.225 -1.745 1.00 0.69 H new ATOM 0 HE22 GLN A 40 3.142 -17.314 -2.237 1.00 0.69 H new ATOM 657 N SER A 41 2.544 -12.002 0.901 1.00 0.17 N ATOM 658 CA SER A 41 2.914 -10.902 1.791 1.00 0.20 C ATOM 659 C SER A 41 4.363 -11.013 2.250 1.00 0.20 C ATOM 660 O SER A 41 5.017 -10.006 2.516 1.00 0.25 O ATOM 661 CB SER A 41 1.992 -10.876 3.010 1.00 0.23 C ATOM 662 OG SER A 41 1.885 -12.161 3.597 1.00 1.10 O ATOM 0 H SER A 41 1.634 -12.415 1.105 1.00 0.17 H new ATOM 0 HA SER A 41 2.805 -9.975 1.229 1.00 0.20 H new ATOM 0 HB2 SER A 41 2.376 -10.168 3.745 1.00 0.23 H new ATOM 0 HB3 SER A 41 1.003 -10.524 2.715 1.00 0.23 H new ATOM 0 HG SER A 41 1.108 -12.627 3.224 1.00 1.10 H new ATOM 668 N ALA A 42 4.858 -12.241 2.347 1.00 0.18 N ATOM 669 CA ALA A 42 6.230 -12.481 2.774 1.00 0.20 C ATOM 670 C ALA A 42 7.183 -12.502 1.583 1.00 0.17 C ATOM 671 O ALA A 42 8.327 -12.061 1.685 1.00 0.18 O ATOM 672 CB ALA A 42 6.318 -13.787 3.547 1.00 0.24 C ATOM 0 H ALA A 42 4.329 -13.087 2.135 1.00 0.18 H new ATOM 0 HA ALA A 42 6.530 -11.662 3.428 1.00 0.20 H new ATOM 0 HB1 ALA A 42 7.348 -13.955 3.861 1.00 0.24 H new ATOM 0 HB2 ALA A 42 5.675 -13.734 4.426 1.00 0.24 H new ATOM 0 HB3 ALA A 42 5.994 -14.610 2.910 1.00 0.24 H new ATOM 678 N ASN A 43 6.702 -13.013 0.454 1.00 0.16 N ATOM 679 CA ASN A 43 7.512 -13.089 -0.758 1.00 0.16 C ATOM 680 C ASN A 43 7.725 -11.704 -1.355 1.00 0.13 C ATOM 681 O ASN A 43 8.859 -11.246 -1.493 1.00 0.14 O ATOM 682 CB ASN A 43 6.841 -14.004 -1.787 1.00 0.18 C ATOM 683 CG ASN A 43 6.861 -15.463 -1.368 1.00 0.21 C ATOM 684 OD1 ASN A 43 5.850 -15.877 -0.615 1.00 0.59 O flip ATOM 685 ND2 ASN A 43 7.778 -16.207 -1.715 1.00 0.71 N flip ATOM 0 H ASN A 43 5.756 -13.381 0.353 1.00 0.16 H new ATOM 0 HA ASN A 43 8.484 -13.504 -0.492 1.00 0.16 H new ATOM 0 HB2 ASN A 43 5.809 -13.685 -1.933 1.00 0.18 H new ATOM 0 HB3 ASN A 43 7.346 -13.898 -2.747 1.00 0.18 H new ATOM 0 HD21 ASN A 43 8.536 -15.846 -2.295 1.00 0.71 H new ATOM 0 HD22 ASN A 43 7.780 -17.184 -1.423 1.00 0.71 H new ATOM 692 N LEU A 44 6.627 -11.044 -1.712 1.00 0.13 N ATOM 693 CA LEU A 44 6.684 -9.705 -2.286 1.00 0.12 C ATOM 694 C LEU A 44 7.513 -8.777 -1.409 1.00 0.11 C ATOM 695 O LEU A 44 8.243 -7.922 -1.909 1.00 0.12 O ATOM 696 CB LEU A 44 5.270 -9.147 -2.453 1.00 0.12 C ATOM 697 CG LEU A 44 4.354 -9.979 -3.351 1.00 0.16 C ATOM 698 CD1 LEU A 44 2.898 -9.620 -3.105 1.00 0.16 C ATOM 699 CD2 LEU A 44 4.715 -9.774 -4.815 1.00 0.23 C ATOM 0 H LEU A 44 5.683 -11.418 -1.613 1.00 0.13 H new ATOM 0 HA LEU A 44 7.160 -9.769 -3.264 1.00 0.12 H new ATOM 0 HB2 LEU A 44 4.810 -9.061 -1.469 1.00 0.12 H new ATOM 0 HB3 LEU A 44 5.338 -8.139 -2.862 1.00 0.12 H new ATOM 0 HG LEU A 44 4.494 -11.032 -3.106 1.00 0.16 H new ATOM 0 HD11 LEU A 44 2.260 -10.222 -3.753 1.00 0.16 H new ATOM 0 HD12 LEU A 44 2.646 -9.817 -2.063 1.00 0.16 H new ATOM 0 HD13 LEU A 44 2.742 -8.563 -3.323 1.00 0.16 H new ATOM 0 HD21 LEU A 44 4.053 -10.373 -5.440 1.00 0.23 H new ATOM 0 HD22 LEU A 44 4.603 -8.721 -5.073 1.00 0.23 H new ATOM 0 HD23 LEU A 44 5.748 -10.081 -4.981 1.00 0.23 H new ATOM 711 N LEU A 45 7.393 -8.953 -0.096 1.00 0.12 N ATOM 712 CA LEU A 45 8.146 -8.142 0.853 1.00 0.13 C ATOM 713 C LEU A 45 9.638 -8.331 0.625 1.00 0.13 C ATOM 714 O LEU A 45 10.376 -7.369 0.431 1.00 0.15 O ATOM 715 CB LEU A 45 7.799 -8.543 2.287 1.00 0.15 C ATOM 716 CG LEU A 45 7.396 -7.397 3.219 1.00 0.14 C ATOM 717 CD1 LEU A 45 7.341 -7.886 4.657 1.00 0.18 C ATOM 718 CD2 LEU A 45 8.363 -6.228 3.092 1.00 0.14 C ATOM 0 H LEU A 45 6.783 -9.649 0.333 1.00 0.12 H new ATOM 0 HA LEU A 45 7.882 -7.095 0.701 1.00 0.13 H new ATOM 0 HB2 LEU A 45 6.983 -9.265 2.255 1.00 0.15 H new ATOM 0 HB3 LEU A 45 8.659 -9.053 2.720 1.00 0.15 H new ATOM 0 HG LEU A 45 6.405 -7.049 2.927 1.00 0.14 H new ATOM 0 HD11 LEU A 45 7.053 -7.062 5.311 1.00 0.18 H new ATOM 0 HD12 LEU A 45 6.608 -8.689 4.741 1.00 0.18 H new ATOM 0 HD13 LEU A 45 8.322 -8.258 4.953 1.00 0.18 H new ATOM 0 HD21 LEU A 45 8.055 -5.427 3.764 1.00 0.14 H new ATOM 0 HD22 LEU A 45 9.368 -6.557 3.356 1.00 0.14 H new ATOM 0 HD23 LEU A 45 8.359 -5.862 2.065 1.00 0.14 H new ATOM 730 N ALA A 46 10.065 -9.587 0.657 1.00 0.14 N ATOM 731 CA ALA A 46 11.463 -9.936 0.450 1.00 0.15 C ATOM 732 C ALA A 46 11.950 -9.440 -0.905 1.00 0.15 C ATOM 733 O ALA A 46 13.114 -9.071 -1.065 1.00 0.20 O ATOM 734 CB ALA A 46 11.638 -11.442 0.555 1.00 0.16 C ATOM 0 H ALA A 46 9.456 -10.387 0.826 1.00 0.14 H new ATOM 0 HA ALA A 46 12.061 -9.452 1.222 1.00 0.15 H new ATOM 0 HB1 ALA A 46 12.686 -11.698 0.399 1.00 0.16 H new ATOM 0 HB2 ALA A 46 11.326 -11.776 1.544 1.00 0.16 H new ATOM 0 HB3 ALA A 46 11.028 -11.933 -0.203 1.00 0.16 H new ATOM 740 N GLU A 47 11.047 -9.437 -1.876 1.00 0.13 N ATOM 741 CA GLU A 47 11.365 -8.986 -3.224 1.00 0.15 C ATOM 742 C GLU A 47 11.494 -7.470 -3.260 1.00 0.13 C ATOM 743 O GLU A 47 12.257 -6.918 -4.053 1.00 0.17 O ATOM 744 CB GLU A 47 10.282 -9.442 -4.201 1.00 0.18 C ATOM 745 CG GLU A 47 10.283 -10.939 -4.452 1.00 0.28 C ATOM 746 CD GLU A 47 9.270 -11.353 -5.501 1.00 1.24 C ATOM 747 OE1 GLU A 47 8.093 -11.564 -5.139 1.00 2.19 O ATOM 748 OE2 GLU A 47 9.652 -11.466 -6.684 1.00 1.09 O ATOM 0 H GLU A 47 10.082 -9.744 -1.754 1.00 0.13 H new ATOM 0 HA GLU A 47 12.318 -9.425 -3.521 1.00 0.15 H new ATOM 0 HB2 GLU A 47 9.307 -9.147 -3.813 1.00 0.18 H new ATOM 0 HB3 GLU A 47 10.418 -8.923 -5.150 1.00 0.18 H new ATOM 0 HG2 GLU A 47 11.278 -11.250 -4.770 1.00 0.28 H new ATOM 0 HG3 GLU A 47 10.069 -11.461 -3.519 1.00 0.28 H new ATOM 755 N ALA A 48 10.742 -6.806 -2.390 1.00 0.10 N ATOM 756 CA ALA A 48 10.767 -5.351 -2.313 1.00 0.10 C ATOM 757 C ALA A 48 11.992 -4.877 -1.546 1.00 0.11 C ATOM 758 O ALA A 48 12.606 -3.871 -1.897 1.00 0.12 O ATOM 759 CB ALA A 48 9.493 -4.834 -1.664 1.00 0.11 C ATOM 0 H ALA A 48 10.107 -7.253 -1.728 1.00 0.10 H new ATOM 0 HA ALA A 48 10.824 -4.951 -3.325 1.00 0.10 H new ATOM 0 HB1 ALA A 48 9.526 -3.746 -1.613 1.00 0.11 H new ATOM 0 HB2 ALA A 48 8.632 -5.144 -2.256 1.00 0.11 H new ATOM 0 HB3 ALA A 48 9.407 -5.242 -0.657 1.00 0.11 H new ATOM 765 N LYS A 49 12.331 -5.607 -0.491 1.00 0.12 N ATOM 766 CA LYS A 49 13.492 -5.289 0.323 1.00 0.14 C ATOM 767 C LYS A 49 14.761 -5.549 -0.475 1.00 0.14 C ATOM 768 O LYS A 49 15.746 -4.818 -0.364 1.00 0.17 O ATOM 769 CB LYS A 49 13.479 -6.135 1.592 1.00 0.14 C ATOM 770 CG LYS A 49 12.294 -5.837 2.495 1.00 0.14 C ATOM 771 CD LYS A 49 12.316 -6.692 3.752 1.00 0.16 C ATOM 772 CE LYS A 49 11.758 -8.080 3.494 1.00 0.16 C ATOM 773 NZ LYS A 49 11.664 -8.883 4.743 1.00 0.21 N ATOM 0 H LYS A 49 11.813 -6.428 -0.179 1.00 0.12 H new ATOM 0 HA LYS A 49 13.462 -4.236 0.605 1.00 0.14 H new ATOM 0 HB2 LYS A 49 13.463 -7.190 1.318 1.00 0.14 H new ATOM 0 HB3 LYS A 49 14.402 -5.963 2.145 1.00 0.14 H new ATOM 0 HG2 LYS A 49 12.303 -4.783 2.772 1.00 0.14 H new ATOM 0 HG3 LYS A 49 11.367 -6.015 1.950 1.00 0.14 H new ATOM 0 HD2 LYS A 49 13.339 -6.773 4.120 1.00 0.16 H new ATOM 0 HD3 LYS A 49 11.734 -6.205 4.534 1.00 0.16 H new ATOM 0 HE2 LYS A 49 10.770 -7.995 3.042 1.00 0.16 H new ATOM 0 HE3 LYS A 49 12.393 -8.599 2.776 1.00 0.16 H new ATOM 0 HZ1 LYS A 49 11.278 -9.823 4.523 1.00 0.21 H new ATOM 0 HZ2 LYS A 49 12.610 -8.986 5.162 1.00 0.21 H new ATOM 0 HZ3 LYS A 49 11.037 -8.402 5.419 1.00 0.21 H new ATOM 787 N LYS A 50 14.719 -6.606 -1.277 1.00 0.13 N ATOM 788 CA LYS A 50 15.843 -6.978 -2.124 1.00 0.16 C ATOM 789 C LYS A 50 16.019 -5.949 -3.235 1.00 0.16 C ATOM 790 O LYS A 50 17.123 -5.727 -3.731 1.00 0.22 O ATOM 791 CB LYS A 50 15.602 -8.362 -2.730 1.00 0.17 C ATOM 792 CG LYS A 50 16.651 -8.775 -3.750 1.00 0.52 C ATOM 793 CD LYS A 50 16.350 -10.145 -4.337 1.00 0.51 C ATOM 794 CE LYS A 50 17.397 -10.554 -5.359 1.00 1.36 C ATOM 795 NZ LYS A 50 17.104 -11.889 -5.949 1.00 2.10 N ATOM 0 H LYS A 50 13.912 -7.224 -1.358 1.00 0.13 H new ATOM 0 HA LYS A 50 16.750 -7.007 -1.519 1.00 0.16 H new ATOM 0 HB2 LYS A 50 15.577 -9.100 -1.928 1.00 0.17 H new ATOM 0 HB3 LYS A 50 14.621 -8.375 -3.205 1.00 0.17 H new ATOM 0 HG2 LYS A 50 16.692 -8.036 -4.550 1.00 0.52 H new ATOM 0 HG3 LYS A 50 17.633 -8.788 -3.278 1.00 0.52 H new ATOM 0 HD2 LYS A 50 16.312 -10.885 -3.537 1.00 0.51 H new ATOM 0 HD3 LYS A 50 15.366 -10.133 -4.807 1.00 0.51 H new ATOM 0 HE2 LYS A 50 17.441 -9.808 -6.152 1.00 1.36 H new ATOM 0 HE3 LYS A 50 18.379 -10.574 -4.885 1.00 1.36 H new ATOM 0 HZ1 LYS A 50 17.841 -12.132 -6.641 1.00 2.10 H new ATOM 0 HZ2 LYS A 50 17.087 -12.605 -5.195 1.00 2.10 H new ATOM 0 HZ3 LYS A 50 16.179 -11.864 -6.423 1.00 2.10 H new ATOM 809 N LEU A 51 14.909 -5.325 -3.610 1.00 0.14 N ATOM 810 CA LEU A 51 14.903 -4.315 -4.658 1.00 0.15 C ATOM 811 C LEU A 51 15.330 -2.962 -4.105 1.00 0.15 C ATOM 812 O LEU A 51 16.030 -2.197 -4.771 1.00 0.18 O ATOM 813 CB LEU A 51 13.504 -4.219 -5.266 1.00 0.15 C ATOM 814 CG LEU A 51 13.369 -3.311 -6.491 1.00 0.18 C ATOM 815 CD1 LEU A 51 14.457 -3.604 -7.516 1.00 0.23 C ATOM 816 CD2 LEU A 51 11.993 -3.483 -7.113 1.00 0.18 C ATOM 0 H LEU A 51 13.993 -5.504 -3.198 1.00 0.14 H new ATOM 0 HA LEU A 51 15.614 -4.605 -5.431 1.00 0.15 H new ATOM 0 HB2 LEU A 51 13.180 -5.222 -5.544 1.00 0.15 H new ATOM 0 HB3 LEU A 51 12.818 -3.864 -4.497 1.00 0.15 H new ATOM 0 HG LEU A 51 13.487 -2.277 -6.167 1.00 0.18 H new ATOM 0 HD11 LEU A 51 14.335 -2.944 -8.375 1.00 0.23 H new ATOM 0 HD12 LEU A 51 15.436 -3.437 -7.066 1.00 0.23 H new ATOM 0 HD13 LEU A 51 14.380 -4.641 -7.842 1.00 0.23 H new ATOM 0 HD21 LEU A 51 11.904 -2.834 -7.984 1.00 0.18 H new ATOM 0 HD22 LEU A 51 11.859 -4.521 -7.418 1.00 0.18 H new ATOM 0 HD23 LEU A 51 11.228 -3.218 -6.383 1.00 0.18 H new ATOM 828 N ASN A 52 14.904 -2.673 -2.881 1.00 0.15 N ATOM 829 CA ASN A 52 15.244 -1.417 -2.227 1.00 0.18 C ATOM 830 C ASN A 52 16.735 -1.373 -1.934 1.00 0.17 C ATOM 831 O ASN A 52 17.335 -0.301 -1.856 1.00 0.17 O ATOM 832 CB ASN A 52 14.447 -1.257 -0.929 1.00 0.26 C ATOM 833 CG ASN A 52 14.777 0.032 -0.200 1.00 0.36 C ATOM 834 OD1 ASN A 52 14.164 1.070 -0.444 1.00 0.79 O ATOM 835 ND2 ASN A 52 15.744 -0.031 0.708 1.00 0.21 N ATOM 0 H ASN A 52 14.321 -3.294 -2.321 1.00 0.15 H new ATOM 0 HA ASN A 52 14.988 -0.594 -2.894 1.00 0.18 H new ATOM 0 HB2 ASN A 52 13.381 -1.280 -1.156 1.00 0.26 H new ATOM 0 HB3 ASN A 52 14.652 -2.104 -0.274 1.00 0.26 H new ATOM 0 HD21 ASN A 52 16.004 0.803 1.235 1.00 0.21 H new ATOM 0 HD22 ASN A 52 16.227 -0.913 0.879 1.00 0.21 H new ATOM 842 N ASP A 53 17.327 -2.552 -1.776 1.00 0.18 N ATOM 843 CA ASP A 53 18.751 -2.661 -1.501 1.00 0.20 C ATOM 844 C ASP A 53 19.548 -2.588 -2.799 1.00 0.22 C ATOM 845 O ASP A 53 20.744 -2.299 -2.792 1.00 0.25 O ATOM 846 CB ASP A 53 19.056 -3.971 -0.772 1.00 0.23 C ATOM 847 CG ASP A 53 20.524 -4.110 -0.420 1.00 0.28 C ATOM 848 OD1 ASP A 53 21.291 -4.622 -1.262 1.00 0.34 O ATOM 849 OD2 ASP A 53 20.908 -3.705 0.698 1.00 0.34 O ATOM 0 H ASP A 53 16.840 -3.446 -1.834 1.00 0.18 H new ATOM 0 HA ASP A 53 19.043 -1.828 -0.861 1.00 0.20 H new ATOM 0 HB2 ASP A 53 18.460 -4.023 0.139 1.00 0.23 H new ATOM 0 HB3 ASP A 53 18.755 -4.811 -1.398 1.00 0.23 H new ATOM 854 N ALA A 54 18.867 -2.854 -3.910 1.00 0.22 N ATOM 855 CA ALA A 54 19.498 -2.818 -5.225 1.00 0.26 C ATOM 856 C ALA A 54 19.753 -1.381 -5.661 1.00 0.28 C ATOM 857 O ALA A 54 20.714 -1.099 -6.379 1.00 0.32 O ATOM 858 CB ALA A 54 18.628 -3.533 -6.246 1.00 0.27 C ATOM 0 H ALA A 54 17.877 -3.097 -3.925 1.00 0.22 H new ATOM 0 HA ALA A 54 20.457 -3.332 -5.160 1.00 0.26 H new ATOM 0 HB1 ALA A 54 19.110 -3.499 -7.223 1.00 0.27 H new ATOM 0 HB2 ALA A 54 18.492 -4.572 -5.945 1.00 0.27 H new ATOM 0 HB3 ALA A 54 17.657 -3.042 -6.304 1.00 0.27 H new ATOM 864 N GLN A 55 18.885 -0.477 -5.221 1.00 0.27 N ATOM 865 CA GLN A 55 19.010 0.934 -5.561 1.00 0.31 C ATOM 866 C GLN A 55 19.710 1.694 -4.438 1.00 0.33 C ATOM 867 O GLN A 55 19.967 2.892 -4.550 1.00 0.41 O ATOM 868 CB GLN A 55 17.628 1.538 -5.812 1.00 0.32 C ATOM 869 CG GLN A 55 16.734 0.684 -6.694 1.00 0.32 C ATOM 870 CD GLN A 55 15.500 1.430 -7.157 1.00 0.36 C ATOM 871 OE1 GLN A 55 14.493 1.491 -6.296 1.00 0.61 O flip ATOM 872 NE2 GLN A 55 15.462 1.967 -8.265 1.00 0.29 N flip ATOM 0 H GLN A 55 18.086 -0.698 -4.627 1.00 0.27 H new ATOM 0 HA GLN A 55 19.608 1.019 -6.468 1.00 0.31 H new ATOM 0 HB2 GLN A 55 17.132 1.697 -4.854 1.00 0.32 H new ATOM 0 HB3 GLN A 55 17.749 2.518 -6.274 1.00 0.32 H new ATOM 0 HG2 GLN A 55 17.300 0.348 -7.563 1.00 0.32 H new ATOM 0 HG3 GLN A 55 16.432 -0.208 -6.145 1.00 0.32 H new ATOM 0 HE21 GLN A 55 16.261 1.894 -8.895 1.00 0.29 H new ATOM 0 HE22 GLN A 55 14.632 2.485 -8.552 1.00 0.29 H new ATOM 881 N ALA A 56 20.015 0.983 -3.357 1.00 0.28 N ATOM 882 CA ALA A 56 20.678 1.579 -2.204 1.00 0.31 C ATOM 883 C ALA A 56 22.060 2.120 -2.570 1.00 0.39 C ATOM 884 O ALA A 56 22.770 1.525 -3.381 1.00 0.44 O ATOM 885 CB ALA A 56 20.791 0.557 -1.083 1.00 0.29 C ATOM 0 H ALA A 56 19.812 -0.012 -3.256 1.00 0.28 H new ATOM 0 HA ALA A 56 20.073 2.419 -1.865 1.00 0.31 H new ATOM 0 HB1 ALA A 56 21.288 1.011 -0.225 1.00 0.29 H new ATOM 0 HB2 ALA A 56 19.795 0.225 -0.791 1.00 0.29 H new ATOM 0 HB3 ALA A 56 21.372 -0.298 -1.428 1.00 0.29 H new ATOM 1066 N THR B 109 -0.039 9.696 7.410 1.00 0.39 N ATOM 1067 CA THR B 109 -0.238 9.280 6.027 1.00 0.28 C ATOM 1068 C THR B 109 -0.380 7.766 5.929 1.00 0.25 C ATOM 1069 O THR B 109 -1.175 7.255 5.139 1.00 0.27 O ATOM 1070 CB THR B 109 0.933 9.739 5.135 1.00 0.25 C ATOM 1071 OG1 THR B 109 0.965 11.170 5.068 1.00 0.33 O ATOM 1072 CG2 THR B 109 0.812 9.165 3.732 1.00 0.27 C ATOM 0 HA THR B 109 -1.157 9.750 5.677 1.00 0.28 H new ATOM 0 HB THR B 109 1.859 9.372 5.578 1.00 0.25 H new ATOM 0 HG1 THR B 109 0.623 11.544 5.907 1.00 0.33 H new ATOM 0 HG21 THR B 109 1.651 9.506 3.126 1.00 0.27 H new ATOM 0 HG22 THR B 109 0.819 8.076 3.782 1.00 0.27 H new ATOM 0 HG23 THR B 109 -0.122 9.501 3.281 1.00 0.27 H new ATOM 1080 N GLN B 110 0.396 7.054 6.739 1.00 0.30 N ATOM 1081 CA GLN B 110 0.362 5.596 6.749 1.00 0.32 C ATOM 1082 C GLN B 110 -1.011 5.077 7.162 1.00 0.30 C ATOM 1083 O GLN B 110 -1.403 3.974 6.782 1.00 0.30 O ATOM 1084 CB GLN B 110 1.436 5.049 7.689 1.00 0.42 C ATOM 1085 CG GLN B 110 2.851 5.282 7.186 1.00 0.48 C ATOM 1086 CD GLN B 110 3.897 4.562 8.013 1.00 0.85 C ATOM 1087 OE1 GLN B 110 3.638 4.417 9.308 1.00 1.34 O flip ATOM 1088 NE2 GLN B 110 4.932 4.145 7.495 1.00 1.38 N flip ATOM 0 H GLN B 110 1.057 7.464 7.398 1.00 0.30 H new ATOM 0 HA GLN B 110 0.563 5.248 5.736 1.00 0.32 H new ATOM 0 HB2 GLN B 110 1.324 5.516 8.668 1.00 0.42 H new ATOM 0 HB3 GLN B 110 1.278 3.979 7.826 1.00 0.42 H new ATOM 0 HG2 GLN B 110 2.922 4.950 6.150 1.00 0.48 H new ATOM 0 HG3 GLN B 110 3.062 6.351 7.193 1.00 0.48 H new ATOM 0 HE21 GLN B 110 5.092 4.277 6.496 1.00 1.38 H new ATOM 0 HE22 GLN B 110 5.630 3.667 8.064 1.00 1.38 H new ATOM 1097 N GLU B 111 -1.739 5.874 7.940 1.00 0.30 N ATOM 1098 CA GLU B 111 -3.069 5.481 8.389 1.00 0.30 C ATOM 1099 C GLU B 111 -4.019 5.428 7.203 1.00 0.28 C ATOM 1100 O GLU B 111 -4.783 4.476 7.042 1.00 0.39 O ATOM 1101 CB GLU B 111 -3.601 6.460 9.437 1.00 0.34 C ATOM 1102 CG GLU B 111 -2.615 6.750 10.555 1.00 0.38 C ATOM 1103 CD GLU B 111 -3.227 7.568 11.674 1.00 1.19 C ATOM 1104 OE1 GLU B 111 -3.176 8.814 11.597 1.00 2.25 O ATOM 1105 OE2 GLU B 111 -3.758 6.964 12.630 1.00 1.04 O ATOM 0 H GLU B 111 -1.432 6.789 8.270 1.00 0.30 H new ATOM 0 HA GLU B 111 -3.001 4.493 8.844 1.00 0.30 H new ATOM 0 HB2 GLU B 111 -3.866 7.396 8.946 1.00 0.34 H new ATOM 0 HB3 GLU B 111 -4.517 6.056 9.868 1.00 0.34 H new ATOM 0 HG2 GLU B 111 -2.243 5.809 10.960 1.00 0.38 H new ATOM 0 HG3 GLU B 111 -1.756 7.283 10.148 1.00 0.38 H new ATOM 1112 N ALA B 112 -3.957 6.462 6.373 1.00 0.20 N ATOM 1113 CA ALA B 112 -4.797 6.547 5.188 1.00 0.17 C ATOM 1114 C ALA B 112 -4.402 5.483 4.170 1.00 0.13 C ATOM 1115 O ALA B 112 -5.227 5.028 3.378 1.00 0.13 O ATOM 1116 CB ALA B 112 -4.693 7.935 4.576 1.00 0.17 C ATOM 0 H ALA B 112 -3.330 7.256 6.501 1.00 0.20 H new ATOM 0 HA ALA B 112 -5.832 6.368 5.480 1.00 0.17 H new ATOM 0 HB1 ALA B 112 -5.325 7.990 3.689 1.00 0.17 H new ATOM 0 HB2 ALA B 112 -5.021 8.678 5.302 1.00 0.17 H new ATOM 0 HB3 ALA B 112 -3.658 8.133 4.297 1.00 0.17 H new ATOM 1122 N SER B 113 -3.131 5.091 4.201 1.00 0.13 N ATOM 1123 CA SER B 113 -2.615 4.076 3.289 1.00 0.11 C ATOM 1124 C SER B 113 -3.248 2.720 3.580 1.00 0.10 C ATOM 1125 O SER B 113 -3.730 2.040 2.673 1.00 0.12 O ATOM 1126 CB SER B 113 -1.094 3.978 3.413 1.00 0.15 C ATOM 1127 OG SER B 113 -0.478 5.227 3.151 1.00 0.92 O ATOM 0 H SER B 113 -2.438 5.463 4.850 1.00 0.13 H new ATOM 0 HA SER B 113 -2.871 4.369 2.271 1.00 0.11 H new ATOM 0 HB2 SER B 113 -0.829 3.642 4.415 1.00 0.15 H new ATOM 0 HB3 SER B 113 -0.717 3.230 2.716 1.00 0.15 H new ATOM 0 HG SER B 113 -0.741 5.873 3.840 1.00 0.92 H new ATOM 1133 N TRP B 114 -3.244 2.333 4.852 1.00 0.10 N ATOM 1134 CA TRP B 114 -3.817 1.058 5.265 1.00 0.10 C ATOM 1135 C TRP B 114 -5.320 1.025 4.993 1.00 0.12 C ATOM 1136 O TRP B 114 -5.852 0.015 4.537 1.00 0.16 O ATOM 1137 CB TRP B 114 -3.538 0.807 6.750 1.00 0.13 C ATOM 1138 CG TRP B 114 -4.089 -0.493 7.258 1.00 0.14 C ATOM 1139 CD1 TRP B 114 -5.037 -0.658 8.226 1.00 0.17 C ATOM 1140 CD2 TRP B 114 -3.727 -1.810 6.825 1.00 0.16 C ATOM 1141 NE1 TRP B 114 -5.286 -1.994 8.422 1.00 0.19 N ATOM 1142 CE2 TRP B 114 -4.495 -2.722 7.575 1.00 0.19 C ATOM 1143 CE3 TRP B 114 -2.829 -2.309 5.877 1.00 0.17 C ATOM 1144 CZ2 TRP B 114 -4.393 -4.100 7.405 1.00 0.22 C ATOM 1145 CZ3 TRP B 114 -2.728 -3.677 5.711 1.00 0.21 C ATOM 1146 CH2 TRP B 114 -3.507 -4.559 6.471 1.00 0.23 C ATOM 0 H TRP B 114 -2.850 2.885 5.614 1.00 0.10 H new ATOM 0 HA TRP B 114 -3.348 0.266 4.681 1.00 0.10 H new ATOM 0 HB2 TRP B 114 -2.461 0.824 6.916 1.00 0.13 H new ATOM 0 HB3 TRP B 114 -3.963 1.624 7.333 1.00 0.13 H new ATOM 0 HD1 TRP B 114 -5.521 0.146 8.760 1.00 0.17 H new ATOM 0 HE1 TRP B 114 -5.952 -2.381 9.090 1.00 0.19 H new ATOM 0 HE3 TRP B 114 -2.225 -1.637 5.285 1.00 0.17 H new ATOM 0 HZ2 TRP B 114 -4.992 -4.782 7.990 1.00 0.22 H new ATOM 0 HZ3 TRP B 114 -2.036 -4.073 4.982 1.00 0.21 H new ATOM 0 HH2 TRP B 114 -3.405 -5.623 6.316 1.00 0.23 H new ATOM 1157 N GLU B 115 -5.998 2.137 5.274 1.00 0.14 N ATOM 1158 CA GLU B 115 -7.439 2.230 5.050 1.00 0.18 C ATOM 1159 C GLU B 115 -7.777 1.950 3.589 1.00 0.19 C ATOM 1160 O GLU B 115 -8.819 1.373 3.281 1.00 0.33 O ATOM 1161 CB GLU B 115 -7.956 3.616 5.442 1.00 0.22 C ATOM 1162 CG GLU B 115 -7.891 3.894 6.935 1.00 0.31 C ATOM 1163 CD GLU B 115 -8.696 2.902 7.751 1.00 1.33 C ATOM 1164 OE1 GLU B 115 -9.911 3.128 7.931 1.00 1.80 O ATOM 1165 OE2 GLU B 115 -8.111 1.898 8.210 1.00 2.03 O ATOM 0 H GLU B 115 -5.574 2.983 5.656 1.00 0.14 H new ATOM 0 HA GLU B 115 -7.925 1.480 5.674 1.00 0.18 H new ATOM 0 HB2 GLU B 115 -7.375 4.373 4.915 1.00 0.22 H new ATOM 0 HB3 GLU B 115 -8.989 3.717 5.108 1.00 0.22 H new ATOM 0 HG2 GLU B 115 -6.851 3.867 7.260 1.00 0.31 H new ATOM 0 HG3 GLU B 115 -8.259 4.901 7.129 1.00 0.31 H new ATOM 1172 N ILE B 116 -6.889 2.370 2.696 1.00 0.13 N ATOM 1173 CA ILE B 116 -7.083 2.166 1.267 1.00 0.12 C ATOM 1174 C ILE B 116 -6.900 0.700 0.885 1.00 0.10 C ATOM 1175 O ILE B 116 -7.579 0.190 -0.007 1.00 0.12 O ATOM 1176 CB ILE B 116 -6.108 3.041 0.449 1.00 0.10 C ATOM 1177 CG1 ILE B 116 -6.517 4.511 0.553 1.00 0.10 C ATOM 1178 CG2 ILE B 116 -6.068 2.597 -1.007 1.00 0.11 C ATOM 1179 CD1 ILE B 116 -5.424 5.473 0.147 1.00 0.11 C ATOM 0 H ILE B 116 -6.025 2.855 2.938 1.00 0.13 H new ATOM 0 HA ILE B 116 -8.106 2.460 1.034 1.00 0.12 H new ATOM 0 HB ILE B 116 -5.106 2.923 0.861 1.00 0.10 H new ATOM 0 HG12 ILE B 116 -7.391 4.682 -0.075 1.00 0.10 H new ATOM 0 HG13 ILE B 116 -6.815 4.725 1.579 1.00 0.10 H new ATOM 0 HG21 ILE B 116 -5.374 3.229 -1.561 1.00 0.11 H new ATOM 0 HG22 ILE B 116 -5.737 1.560 -1.062 1.00 0.11 H new ATOM 0 HG23 ILE B 116 -7.064 2.684 -1.441 1.00 0.11 H new ATOM 0 HD11 ILE B 116 -5.785 6.497 0.246 1.00 0.11 H new ATOM 0 HD12 ILE B 116 -4.556 5.330 0.791 1.00 0.11 H new ATOM 0 HD13 ILE B 116 -5.142 5.286 -0.889 1.00 0.11 H new ATOM 1191 N PHE B 117 -5.984 0.024 1.571 1.00 0.09 N ATOM 1192 CA PHE B 117 -5.708 -1.381 1.293 1.00 0.09 C ATOM 1193 C PHE B 117 -6.759 -2.291 1.923 1.00 0.11 C ATOM 1194 O PHE B 117 -6.983 -3.408 1.456 1.00 0.15 O ATOM 1195 CB PHE B 117 -4.319 -1.760 1.813 1.00 0.10 C ATOM 1196 CG PHE B 117 -3.782 -3.024 1.205 1.00 0.12 C ATOM 1197 CD1 PHE B 117 -4.121 -4.262 1.727 1.00 0.19 C ATOM 1198 CD2 PHE B 117 -2.944 -2.973 0.102 1.00 0.11 C ATOM 1199 CE1 PHE B 117 -3.635 -5.425 1.162 1.00 0.23 C ATOM 1200 CE2 PHE B 117 -2.457 -4.132 -0.468 1.00 0.13 C ATOM 1201 CZ PHE B 117 -2.802 -5.359 0.061 1.00 0.20 C ATOM 0 H PHE B 117 -5.422 0.425 2.321 1.00 0.09 H new ATOM 0 HA PHE B 117 -5.742 -1.518 0.212 1.00 0.09 H new ATOM 0 HB2 PHE B 117 -3.627 -0.944 1.608 1.00 0.10 H new ATOM 0 HB3 PHE B 117 -4.363 -1.876 2.896 1.00 0.10 H new ATOM 0 HD1 PHE B 117 -4.773 -4.318 2.586 1.00 0.19 H new ATOM 0 HD2 PHE B 117 -2.669 -2.016 -0.316 1.00 0.11 H new ATOM 0 HE1 PHE B 117 -3.905 -6.384 1.580 1.00 0.23 H new ATOM 0 HE2 PHE B 117 -1.806 -4.079 -1.328 1.00 0.13 H new ATOM 0 HZ PHE B 117 -2.422 -6.266 -0.385 1.00 0.20 H new ATOM 1211 N THR B 118 -7.406 -1.808 2.977 1.00 0.12 N ATOM 1212 CA THR B 118 -8.418 -2.593 3.674 1.00 0.16 C ATOM 1213 C THR B 118 -9.720 -2.683 2.883 1.00 0.18 C ATOM 1214 O THR B 118 -10.633 -3.414 3.267 1.00 0.34 O ATOM 1215 CB THR B 118 -8.712 -2.022 5.071 1.00 0.19 C ATOM 1216 OG1 THR B 118 -9.080 -0.640 4.973 1.00 0.26 O ATOM 1217 CG2 THR B 118 -7.496 -2.168 5.973 1.00 0.20 C ATOM 0 H THR B 118 -7.249 -0.879 3.367 1.00 0.12 H new ATOM 0 HA THR B 118 -8.005 -3.596 3.777 1.00 0.16 H new ATOM 0 HB THR B 118 -9.540 -2.583 5.504 1.00 0.19 H new ATOM 0 HG1 THR B 118 -8.897 -0.316 4.066 1.00 0.26 H new ATOM 0 HG21 THR B 118 -7.722 -1.759 6.958 1.00 0.20 H new ATOM 0 HG22 THR B 118 -7.239 -3.223 6.069 1.00 0.20 H new ATOM 0 HG23 THR B 118 -6.655 -1.627 5.540 1.00 0.20 H new ATOM 1225 N LEU B 119 -9.806 -1.940 1.783 1.00 0.14 N ATOM 1226 CA LEU B 119 -11.001 -1.960 0.947 1.00 0.14 C ATOM 1227 C LEU B 119 -11.054 -3.258 0.140 1.00 0.15 C ATOM 1228 O LEU B 119 -10.252 -3.459 -0.769 1.00 0.24 O ATOM 1229 CB LEU B 119 -11.014 -0.749 0.013 1.00 0.16 C ATOM 1230 CG LEU B 119 -10.986 0.605 0.724 1.00 0.26 C ATOM 1231 CD1 LEU B 119 -10.691 1.722 -0.263 1.00 0.81 C ATOM 1232 CD2 LEU B 119 -12.305 0.863 1.440 1.00 1.01 C ATOM 0 H LEU B 119 -9.067 -1.320 1.452 1.00 0.14 H new ATOM 0 HA LEU B 119 -11.881 -1.911 1.588 1.00 0.14 H new ATOM 0 HB2 LEU B 119 -10.154 -0.812 -0.654 1.00 0.16 H new ATOM 0 HB3 LEU B 119 -11.906 -0.798 -0.611 1.00 0.16 H new ATOM 0 HG LEU B 119 -10.189 0.583 1.468 1.00 0.26 H new ATOM 0 HD11 LEU B 119 -10.675 2.677 0.262 1.00 0.81 H new ATOM 0 HD12 LEU B 119 -9.721 1.549 -0.730 1.00 0.81 H new ATOM 0 HD13 LEU B 119 -11.464 1.743 -1.031 1.00 0.81 H new ATOM 0 HD21 LEU B 119 -12.265 1.831 1.939 1.00 1.01 H new ATOM 0 HD22 LEU B 119 -13.119 0.862 0.715 1.00 1.01 H new ATOM 0 HD23 LEU B 119 -12.477 0.080 2.179 1.00 1.01 H new ATOM 1244 N PRO B 120 -12.011 -4.155 0.456 1.00 0.21 N ATOM 1245 CA PRO B 120 -12.138 -5.449 -0.227 1.00 0.26 C ATOM 1246 C PRO B 120 -12.684 -5.331 -1.646 1.00 0.26 C ATOM 1247 O PRO B 120 -12.375 -6.157 -2.506 1.00 0.38 O ATOM 1248 CB PRO B 120 -13.119 -6.218 0.658 1.00 0.36 C ATOM 1249 CG PRO B 120 -13.950 -5.166 1.306 1.00 0.38 C ATOM 1250 CD PRO B 120 -13.050 -3.973 1.489 1.00 0.35 C ATOM 0 HA PRO B 120 -11.169 -5.932 -0.347 1.00 0.26 H new ATOM 0 HB2 PRO B 120 -13.732 -6.900 0.069 1.00 0.36 H new ATOM 0 HB3 PRO B 120 -12.594 -6.821 1.400 1.00 0.36 H new ATOM 0 HG2 PRO B 120 -14.810 -4.913 0.686 1.00 0.38 H new ATOM 0 HG3 PRO B 120 -14.338 -5.512 2.264 1.00 0.38 H new ATOM 0 HD2 PRO B 120 -13.592 -3.038 1.351 1.00 0.35 H new ATOM 0 HD3 PRO B 120 -12.619 -3.947 2.490 1.00 0.35 H new ATOM 1258 N ASN B 121 -13.494 -4.308 -1.889 1.00 0.22 N ATOM 1259 CA ASN B 121 -14.079 -4.100 -3.208 1.00 0.23 C ATOM 1260 C ASN B 121 -13.017 -3.662 -4.212 1.00 0.19 C ATOM 1261 O ASN B 121 -13.144 -3.909 -5.411 1.00 0.22 O ATOM 1262 CB ASN B 121 -15.199 -3.065 -3.130 1.00 0.28 C ATOM 1263 CG ASN B 121 -16.302 -3.490 -2.181 1.00 0.50 C ATOM 1264 OD1 ASN B 121 -16.903 -2.524 -1.497 1.00 0.98 O flip ATOM 1265 ND2 ASN B 121 -16.606 -4.677 -2.057 1.00 0.50 N flip ATOM 0 H ASN B 121 -13.760 -3.612 -1.193 1.00 0.22 H new ATOM 0 HA ASN B 121 -14.498 -5.046 -3.551 1.00 0.23 H new ATOM 0 HB2 ASN B 121 -14.788 -2.110 -2.803 1.00 0.28 H new ATOM 0 HB3 ASN B 121 -15.617 -2.908 -4.124 1.00 0.28 H new ATOM 0 HD21 ASN B 121 -16.118 -5.388 -2.602 1.00 0.50 H new ATOM 0 HD22 ASN B 121 -17.345 -4.949 -1.409 1.00 0.50 H new ATOM 1272 N LEU B 122 -11.969 -3.013 -3.713 1.00 0.15 N ATOM 1273 CA LEU B 122 -10.882 -2.549 -4.565 1.00 0.13 C ATOM 1274 C LEU B 122 -9.812 -3.619 -4.727 1.00 0.16 C ATOM 1275 O LEU B 122 -9.441 -4.294 -3.768 1.00 0.24 O ATOM 1276 CB LEU B 122 -10.262 -1.279 -3.982 1.00 0.12 C ATOM 1277 CG LEU B 122 -10.772 0.028 -4.589 1.00 0.14 C ATOM 1278 CD1 LEU B 122 -12.283 -0.013 -4.748 1.00 0.14 C ATOM 1279 CD2 LEU B 122 -10.357 1.207 -3.727 1.00 0.19 C ATOM 0 H LEU B 122 -11.851 -2.797 -2.723 1.00 0.15 H new ATOM 0 HA LEU B 122 -11.297 -2.331 -5.549 1.00 0.13 H new ATOM 0 HB2 LEU B 122 -10.450 -1.261 -2.909 1.00 0.12 H new ATOM 0 HB3 LEU B 122 -9.181 -1.326 -4.115 1.00 0.12 H new ATOM 0 HG LEU B 122 -10.327 0.149 -5.577 1.00 0.14 H new ATOM 0 HD11 LEU B 122 -12.629 0.925 -5.181 1.00 0.14 H new ATOM 0 HD12 LEU B 122 -12.558 -0.839 -5.404 1.00 0.14 H new ATOM 0 HD13 LEU B 122 -12.748 -0.155 -3.772 1.00 0.14 H new ATOM 0 HD21 LEU B 122 -10.727 2.131 -4.172 1.00 0.19 H new ATOM 0 HD22 LEU B 122 -10.776 1.092 -2.727 1.00 0.19 H new ATOM 0 HD23 LEU B 122 -9.270 1.246 -3.662 1.00 0.19 H new ATOM 1291 N ASN B 123 -9.321 -3.760 -5.951 1.00 0.16 N ATOM 1292 CA ASN B 123 -8.288 -4.744 -6.252 1.00 0.20 C ATOM 1293 C ASN B 123 -6.914 -4.204 -5.884 1.00 0.19 C ATOM 1294 O ASN B 123 -6.799 -3.164 -5.238 1.00 0.30 O ATOM 1295 CB ASN B 123 -8.306 -5.103 -7.736 1.00 0.28 C ATOM 1296 CG ASN B 123 -9.703 -5.122 -8.314 1.00 0.91 C ATOM 1297 OD1 ASN B 123 -10.668 -5.477 -7.635 1.00 1.73 O ATOM 1298 ND2 ASN B 123 -9.819 -4.731 -9.575 1.00 1.39 N ATOM 0 H ASN B 123 -9.621 -3.205 -6.753 1.00 0.16 H new ATOM 0 HA ASN B 123 -8.494 -5.638 -5.663 1.00 0.20 H new ATOM 0 HB2 ASN B 123 -7.699 -4.385 -8.287 1.00 0.28 H new ATOM 0 HB3 ASN B 123 -7.846 -6.082 -7.875 1.00 0.28 H new ATOM 0 HD21 ASN B 123 -10.736 -4.716 -10.022 1.00 1.39 H new ATOM 0 HD22 ASN B 123 -8.992 -4.446 -10.099 1.00 1.39 H new ATOM 1305 N GLY B 124 -5.875 -4.914 -6.307 1.00 0.14 N ATOM 1306 CA GLY B 124 -4.520 -4.483 -6.020 1.00 0.11 C ATOM 1307 C GLY B 124 -4.119 -3.291 -6.864 1.00 0.11 C ATOM 1308 O GLY B 124 -3.350 -2.437 -6.425 1.00 0.17 O ATOM 0 H GLY B 124 -5.946 -5.779 -6.843 1.00 0.14 H new ATOM 0 HA2 GLY B 124 -4.436 -4.226 -4.964 1.00 0.11 H new ATOM 0 HA3 GLY B 124 -3.830 -5.307 -6.203 1.00 0.11 H new ATOM 1312 N ARG B 125 -4.652 -3.236 -8.080 1.00 0.13 N ATOM 1313 CA ARG B 125 -4.352 -2.150 -9.005 1.00 0.14 C ATOM 1314 C ARG B 125 -4.962 -0.836 -8.532 1.00 0.12 C ATOM 1315 O ARG B 125 -4.301 0.202 -8.531 1.00 0.21 O ATOM 1316 CB ARG B 125 -4.879 -2.485 -10.400 1.00 0.20 C ATOM 1317 CG ARG B 125 -4.765 -3.955 -10.757 1.00 0.58 C ATOM 1318 CD ARG B 125 -4.889 -4.171 -12.254 1.00 0.90 C ATOM 1319 NE ARG B 125 -3.829 -3.492 -12.995 1.00 1.75 N ATOM 1320 CZ ARG B 125 -3.664 -3.597 -14.311 1.00 2.18 C ATOM 1321 NH1 ARG B 125 -4.484 -4.349 -15.030 1.00 1.82 N ATOM 1322 NH2 ARG B 125 -2.677 -2.945 -14.910 1.00 3.25 N ATOM 0 H ARG B 125 -5.297 -3.935 -8.449 1.00 0.13 H new ATOM 0 HA ARG B 125 -3.269 -2.034 -9.042 1.00 0.14 H new ATOM 0 HB2 ARG B 125 -5.925 -2.184 -10.466 1.00 0.20 H new ATOM 0 HB3 ARG B 125 -4.331 -1.898 -11.137 1.00 0.20 H new ATOM 0 HG2 ARG B 125 -3.807 -4.342 -10.410 1.00 0.58 H new ATOM 0 HG3 ARG B 125 -5.543 -4.518 -10.241 1.00 0.58 H new ATOM 0 HD2 ARG B 125 -4.855 -5.239 -12.470 1.00 0.90 H new ATOM 0 HD3 ARG B 125 -5.859 -3.807 -12.594 1.00 0.90 H new ATOM 0 HE ARG B 125 -3.178 -2.904 -12.474 1.00 1.75 H new ATOM 0 HH11 ARG B 125 -5.246 -4.851 -14.575 1.00 1.82 H new ATOM 0 HH12 ARG B 125 -4.353 -4.426 -16.039 1.00 1.82 H new ATOM 0 HH21 ARG B 125 -2.044 -2.363 -14.362 1.00 3.25 H new ATOM 0 HH22 ARG B 125 -2.551 -3.026 -15.919 1.00 3.25 H new ATOM 1336 N GLN B 126 -6.229 -0.889 -8.133 1.00 0.12 N ATOM 1337 CA GLN B 126 -6.936 0.298 -7.671 1.00 0.11 C ATOM 1338 C GLN B 126 -6.302 0.871 -6.405 1.00 0.09 C ATOM 1339 O GLN B 126 -6.009 2.064 -6.338 1.00 0.11 O ATOM 1340 CB GLN B 126 -8.408 -0.033 -7.422 1.00 0.13 C ATOM 1341 CG GLN B 126 -9.037 -0.839 -8.548 1.00 0.26 C ATOM 1342 CD GLN B 126 -10.545 -0.930 -8.436 1.00 0.19 C ATOM 1343 OE1 GLN B 126 -11.079 -1.833 -7.792 1.00 0.77 O ATOM 1344 NE2 GLN B 126 -11.239 0.003 -9.073 1.00 0.64 N ATOM 0 H GLN B 126 -6.787 -1.743 -8.121 1.00 0.12 H new ATOM 0 HA GLN B 126 -6.864 1.056 -8.451 1.00 0.11 H new ATOM 0 HB2 GLN B 126 -8.496 -0.592 -6.490 1.00 0.13 H new ATOM 0 HB3 GLN B 126 -8.966 0.894 -7.292 1.00 0.13 H new ATOM 0 HG2 GLN B 126 -8.775 -0.385 -9.504 1.00 0.26 H new ATOM 0 HG3 GLN B 126 -8.616 -1.845 -8.547 1.00 0.26 H new ATOM 0 HE21 GLN B 126 -10.753 0.733 -9.595 1.00 0.64 H new ATOM 0 HE22 GLN B 126 -12.258 -0.009 -9.041 1.00 0.64 H new ATOM 1353 N VAL B 127 -6.087 0.020 -5.407 1.00 0.09 N ATOM 1354 CA VAL B 127 -5.494 0.461 -4.148 1.00 0.08 C ATOM 1355 C VAL B 127 -4.079 1.001 -4.358 1.00 0.08 C ATOM 1356 O VAL B 127 -3.747 2.075 -3.863 1.00 0.09 O ATOM 1357 CB VAL B 127 -5.465 -0.673 -3.102 1.00 0.09 C ATOM 1358 CG1 VAL B 127 -6.879 -1.128 -2.771 1.00 0.10 C ATOM 1359 CG2 VAL B 127 -4.625 -1.845 -3.587 1.00 0.10 C ATOM 0 H VAL B 127 -6.313 -0.974 -5.444 1.00 0.09 H new ATOM 0 HA VAL B 127 -6.126 1.264 -3.770 1.00 0.08 H new ATOM 0 HB VAL B 127 -5.004 -0.283 -2.194 1.00 0.09 H new ATOM 0 HG11 VAL B 127 -6.840 -1.928 -2.032 1.00 0.10 H new ATOM 0 HG12 VAL B 127 -7.446 -0.289 -2.368 1.00 0.10 H new ATOM 0 HG13 VAL B 127 -7.365 -1.493 -3.676 1.00 0.10 H new ATOM 0 HG21 VAL B 127 -4.623 -2.629 -2.830 1.00 0.10 H new ATOM 0 HG22 VAL B 127 -5.047 -2.236 -4.513 1.00 0.10 H new ATOM 0 HG23 VAL B 127 -3.603 -1.511 -3.766 1.00 0.10 H new ATOM 1369 N ALA B 128 -3.256 0.265 -5.104 1.00 0.09 N ATOM 1370 CA ALA B 128 -1.882 0.688 -5.371 1.00 0.10 C ATOM 1371 C ALA B 128 -1.858 2.045 -6.062 1.00 0.10 C ATOM 1372 O ALA B 128 -0.821 2.707 -6.119 1.00 0.13 O ATOM 1373 CB ALA B 128 -1.160 -0.354 -6.214 1.00 0.10 C ATOM 0 H ALA B 128 -3.515 -0.623 -5.533 1.00 0.09 H new ATOM 0 HA ALA B 128 -1.362 0.784 -4.418 1.00 0.10 H new ATOM 0 HB1 ALA B 128 -0.139 -0.024 -6.404 1.00 0.10 H new ATOM 0 HB2 ALA B 128 -1.141 -1.304 -5.680 1.00 0.10 H new ATOM 0 HB3 ALA B 128 -1.683 -0.481 -7.162 1.00 0.10 H new ATOM 1379 N ALA B 129 -3.008 2.453 -6.586 1.00 0.08 N ATOM 1380 CA ALA B 129 -3.127 3.736 -7.264 1.00 0.09 C ATOM 1381 C ALA B 129 -3.425 4.842 -6.260 1.00 0.09 C ATOM 1382 O ALA B 129 -3.028 5.992 -6.447 1.00 0.12 O ATOM 1383 CB ALA B 129 -4.211 3.673 -8.330 1.00 0.10 C ATOM 0 H ALA B 129 -3.872 1.912 -6.554 1.00 0.08 H new ATOM 0 HA ALA B 129 -2.178 3.962 -7.751 1.00 0.09 H new ATOM 0 HB1 ALA B 129 -4.288 4.639 -8.828 1.00 0.10 H new ATOM 0 HB2 ALA B 129 -3.957 2.907 -9.062 1.00 0.10 H new ATOM 0 HB3 ALA B 129 -5.165 3.428 -7.864 1.00 0.10 H new ATOM 1389 N PHE B 130 -4.129 4.480 -5.191 1.00 0.08 N ATOM 1390 CA PHE B 130 -4.478 5.428 -4.140 1.00 0.08 C ATOM 1391 C PHE B 130 -3.326 5.574 -3.148 1.00 0.09 C ATOM 1392 O PHE B 130 -3.178 6.614 -2.504 1.00 0.14 O ATOM 1393 CB PHE B 130 -5.747 4.970 -3.412 1.00 0.09 C ATOM 1394 CG PHE B 130 -7.007 5.133 -4.218 1.00 0.09 C ATOM 1395 CD1 PHE B 130 -7.541 6.391 -4.463 1.00 0.11 C ATOM 1396 CD2 PHE B 130 -7.659 4.024 -4.733 1.00 0.14 C ATOM 1397 CE1 PHE B 130 -8.698 6.535 -5.203 1.00 0.13 C ATOM 1398 CE2 PHE B 130 -8.817 4.164 -5.472 1.00 0.17 C ATOM 1399 CZ PHE B 130 -9.336 5.421 -5.709 1.00 0.16 C ATOM 0 H PHE B 130 -4.470 3.532 -5.031 1.00 0.08 H new ATOM 0 HA PHE B 130 -4.667 6.399 -4.599 1.00 0.08 H new ATOM 0 HB2 PHE B 130 -5.637 3.921 -3.137 1.00 0.09 H new ATOM 0 HB3 PHE B 130 -5.845 5.534 -2.485 1.00 0.09 H new ATOM 0 HD1 PHE B 130 -7.046 7.267 -4.070 1.00 0.11 H new ATOM 0 HD2 PHE B 130 -7.256 3.038 -4.554 1.00 0.14 H new ATOM 0 HE1 PHE B 130 -9.103 7.519 -5.386 1.00 0.13 H new ATOM 0 HE2 PHE B 130 -9.316 3.290 -5.864 1.00 0.17 H new ATOM 0 HZ PHE B 130 -10.240 5.532 -6.289 1.00 0.16 H new ATOM 1409 N ILE B 131 -2.512 4.525 -3.030 1.00 0.08 N ATOM 1410 CA ILE B 131 -1.366 4.543 -2.127 1.00 0.09 C ATOM 1411 C ILE B 131 -0.265 5.418 -2.708 1.00 0.10 C ATOM 1412 O ILE B 131 0.380 6.187 -1.996 1.00 0.14 O ATOM 1413 CB ILE B 131 -0.797 3.128 -1.893 1.00 0.10 C ATOM 1414 CG1 ILE B 131 -1.900 2.170 -1.432 1.00 0.11 C ATOM 1415 CG2 ILE B 131 0.335 3.174 -0.875 1.00 0.12 C ATOM 1416 CD1 ILE B 131 -2.368 2.405 -0.011 1.00 0.13 C ATOM 0 H ILE B 131 -2.626 3.654 -3.549 1.00 0.08 H new ATOM 0 HA ILE B 131 -1.711 4.941 -1.173 1.00 0.09 H new ATOM 0 HB ILE B 131 -0.398 2.756 -2.837 1.00 0.10 H new ATOM 0 HG12 ILE B 131 -2.753 2.264 -2.104 1.00 0.11 H new ATOM 0 HG13 ILE B 131 -1.537 1.146 -1.519 1.00 0.11 H new ATOM 0 HG21 ILE B 131 0.726 2.168 -0.720 1.00 0.12 H new ATOM 0 HG22 ILE B 131 1.131 3.820 -1.245 1.00 0.12 H new ATOM 0 HG23 ILE B 131 -0.041 3.566 0.070 1.00 0.12 H new ATOM 0 HD11 ILE B 131 -3.149 1.687 0.238 1.00 0.13 H new ATOM 0 HD12 ILE B 131 -1.529 2.281 0.674 1.00 0.13 H new ATOM 0 HD13 ILE B 131 -2.764 3.417 0.079 1.00 0.13 H new ATOM 1428 N SER B 132 -0.061 5.281 -4.013 1.00 0.11 N ATOM 1429 CA SER B 132 0.950 6.054 -4.720 1.00 0.13 C ATOM 1430 C SER B 132 0.691 7.547 -4.564 1.00 0.15 C ATOM 1431 O SER B 132 1.538 8.287 -4.064 1.00 0.21 O ATOM 1432 CB SER B 132 0.953 5.681 -6.202 1.00 0.17 C ATOM 1433 OG SER B 132 1.930 6.418 -6.914 1.00 0.63 O ATOM 0 H SER B 132 -0.586 4.637 -4.605 1.00 0.11 H new ATOM 0 HA SER B 132 1.924 5.822 -4.289 1.00 0.13 H new ATOM 0 HB2 SER B 132 1.148 4.614 -6.311 1.00 0.17 H new ATOM 0 HB3 SER B 132 -0.032 5.870 -6.629 1.00 0.17 H new ATOM 0 HG SER B 132 1.911 6.158 -7.859 1.00 0.63 H new ATOM 1439 N SER B 133 -0.488 7.981 -4.998 1.00 0.15 N ATOM 1440 CA SER B 133 -0.873 9.385 -4.908 1.00 0.19 C ATOM 1441 C SER B 133 -0.737 9.893 -3.478 1.00 0.18 C ATOM 1442 O SER B 133 -0.462 11.070 -3.248 1.00 0.26 O ATOM 1443 CB SER B 133 -2.317 9.565 -5.376 1.00 0.23 C ATOM 1444 OG SER B 133 -2.598 10.926 -5.655 1.00 0.74 O ATOM 0 H SER B 133 -1.196 7.378 -5.417 1.00 0.15 H new ATOM 0 HA SER B 133 -0.207 9.961 -5.551 1.00 0.19 H new ATOM 0 HB2 SER B 133 -2.491 8.964 -6.269 1.00 0.23 H new ATOM 0 HB3 SER B 133 -2.999 9.200 -4.609 1.00 0.23 H new ATOM 0 HG SER B 133 -3.277 10.982 -6.360 1.00 0.74 H new ATOM 1450 N LEU B 134 -0.934 8.992 -2.522 1.00 0.13 N ATOM 1451 CA LEU B 134 -0.846 9.337 -1.109 1.00 0.13 C ATOM 1452 C LEU B 134 0.571 9.749 -0.725 1.00 0.15 C ATOM 1453 O LEU B 134 0.804 10.868 -0.267 1.00 0.21 O ATOM 1454 CB LEU B 134 -1.288 8.150 -0.251 1.00 0.14 C ATOM 1455 CG LEU B 134 -2.411 8.444 0.743 1.00 0.17 C ATOM 1456 CD1 LEU B 134 -2.689 7.226 1.608 1.00 0.22 C ATOM 1457 CD2 LEU B 134 -2.057 9.643 1.606 1.00 0.20 C ATOM 0 H LEU B 134 -1.157 8.013 -2.702 1.00 0.13 H new ATOM 0 HA LEU B 134 -1.508 10.184 -0.930 1.00 0.13 H new ATOM 0 HB2 LEU B 134 -1.612 7.346 -0.912 1.00 0.14 H new ATOM 0 HB3 LEU B 134 -0.424 7.781 0.301 1.00 0.14 H new ATOM 0 HG LEU B 134 -3.315 8.680 0.182 1.00 0.17 H new ATOM 0 HD11 LEU B 134 -3.491 7.454 2.310 1.00 0.22 H new ATOM 0 HD12 LEU B 134 -2.987 6.390 0.975 1.00 0.22 H new ATOM 0 HD13 LEU B 134 -1.788 6.959 2.161 1.00 0.22 H new ATOM 0 HD21 LEU B 134 -2.868 9.838 2.308 1.00 0.20 H new ATOM 0 HD22 LEU B 134 -1.141 9.436 2.159 1.00 0.20 H new ATOM 0 HD23 LEU B 134 -1.908 10.517 0.972 1.00 0.20 H new ATOM 1469 N LEU B 135 1.511 8.833 -0.915 1.00 0.17 N ATOM 1470 CA LEU B 135 2.909 9.078 -0.582 1.00 0.22 C ATOM 1471 C LEU B 135 3.491 10.204 -1.431 1.00 0.24 C ATOM 1472 O LEU B 135 4.459 10.855 -1.037 1.00 0.31 O ATOM 1473 CB LEU B 135 3.721 7.793 -0.772 1.00 0.26 C ATOM 1474 CG LEU B 135 3.579 6.736 0.339 1.00 0.31 C ATOM 1475 CD1 LEU B 135 2.253 6.864 1.079 1.00 0.67 C ATOM 1476 CD2 LEU B 135 3.710 5.342 -0.249 1.00 0.65 C ATOM 0 H LEU B 135 1.329 7.907 -1.301 1.00 0.17 H new ATOM 0 HA LEU B 135 2.963 9.387 0.462 1.00 0.22 H new ATOM 0 HB2 LEU B 135 3.429 7.338 -1.719 1.00 0.26 H new ATOM 0 HB3 LEU B 135 4.774 8.061 -0.859 1.00 0.26 H new ATOM 0 HG LEU B 135 4.379 6.907 1.059 1.00 0.31 H new ATOM 0 HD11 LEU B 135 2.194 6.100 1.854 1.00 0.67 H new ATOM 0 HD12 LEU B 135 2.186 7.851 1.537 1.00 0.67 H new ATOM 0 HD13 LEU B 135 1.430 6.733 0.376 1.00 0.67 H new ATOM 0 HD21 LEU B 135 3.608 4.601 0.544 1.00 0.65 H new ATOM 0 HD22 LEU B 135 2.929 5.186 -0.993 1.00 0.65 H new ATOM 0 HD23 LEU B 135 4.687 5.236 -0.721 1.00 0.65 H new ATOM 1488 N ASP B 136 2.895 10.428 -2.597 1.00 0.22 N ATOM 1489 CA ASP B 136 3.351 11.480 -3.500 1.00 0.26 C ATOM 1490 C ASP B 136 2.661 12.802 -3.179 1.00 0.25 C ATOM 1491 O ASP B 136 3.128 13.870 -3.577 1.00 0.29 O ATOM 1492 CB ASP B 136 3.076 11.090 -4.952 1.00 0.29 C ATOM 1493 CG ASP B 136 3.642 12.094 -5.937 1.00 0.37 C ATOM 1494 OD1 ASP B 136 4.829 11.963 -6.302 1.00 0.47 O ATOM 1495 OD2 ASP B 136 2.898 13.011 -6.343 1.00 0.40 O ATOM 0 H ASP B 136 2.095 9.896 -2.940 1.00 0.22 H new ATOM 0 HA ASP B 136 4.425 11.604 -3.363 1.00 0.26 H new ATOM 0 HB2 ASP B 136 3.507 10.109 -5.150 1.00 0.29 H new ATOM 0 HB3 ASP B 136 2.000 11.002 -5.104 1.00 0.29 H new ATOM 1500 N ASP B 137 1.549 12.719 -2.455 1.00 0.24 N ATOM 1501 CA ASP B 137 0.787 13.904 -2.078 1.00 0.27 C ATOM 1502 C ASP B 137 0.110 13.703 -0.721 1.00 0.22 C ATOM 1503 O ASP B 137 -1.113 13.588 -0.642 1.00 0.24 O ATOM 1504 CB ASP B 137 -0.263 14.223 -3.144 1.00 0.38 C ATOM 1505 CG ASP B 137 0.359 14.592 -4.476 1.00 1.19 C ATOM 1506 OD1 ASP B 137 0.727 15.774 -4.652 1.00 1.42 O ATOM 1507 OD2 ASP B 137 0.480 13.702 -5.343 1.00 2.13 O ATOM 0 H ASP B 137 1.155 11.841 -2.117 1.00 0.24 H new ATOM 0 HA ASP B 137 1.479 14.743 -2.000 1.00 0.27 H new ATOM 0 HB2 ASP B 137 -0.915 13.360 -3.277 1.00 0.38 H new ATOM 0 HB3 ASP B 137 -0.889 15.045 -2.798 1.00 0.38 H new ATOM 1512 N PRO B 138 0.905 13.654 0.367 1.00 0.19 N ATOM 1513 CA PRO B 138 0.381 13.470 1.729 1.00 0.21 C ATOM 1514 C PRO B 138 -0.606 14.562 2.131 1.00 0.22 C ATOM 1515 O PRO B 138 -1.196 14.511 3.211 1.00 0.31 O ATOM 1516 CB PRO B 138 1.634 13.536 2.608 1.00 0.24 C ATOM 1517 CG PRO B 138 2.756 13.193 1.694 1.00 0.25 C ATOM 1518 CD PRO B 138 2.374 13.758 0.357 1.00 0.23 C ATOM 0 HA PRO B 138 -0.175 12.537 1.823 1.00 0.21 H new ATOM 0 HB2 PRO B 138 1.764 14.529 3.039 1.00 0.24 H new ATOM 0 HB3 PRO B 138 1.572 12.834 3.439 1.00 0.24 H new ATOM 0 HG2 PRO B 138 3.694 13.621 2.047 1.00 0.25 H new ATOM 0 HG3 PRO B 138 2.900 12.114 1.637 1.00 0.25 H new ATOM 0 HD2 PRO B 138 2.706 14.790 0.244 1.00 0.23 H new ATOM 0 HD3 PRO B 138 2.814 13.190 -0.463 1.00 0.23 H new ATOM 1526 N SER B 139 -0.770 15.558 1.267 1.00 0.20 N ATOM 1527 CA SER B 139 -1.687 16.651 1.528 1.00 0.22 C ATOM 1528 C SER B 139 -3.121 16.241 1.213 1.00 0.19 C ATOM 1529 O SER B 139 -4.048 16.561 1.958 1.00 0.19 O ATOM 1530 CB SER B 139 -1.294 17.866 0.691 1.00 0.28 C ATOM 1531 OG SER B 139 -1.197 17.529 -0.682 1.00 1.15 O ATOM 0 H SER B 139 -0.276 15.627 0.378 1.00 0.20 H new ATOM 0 HA SER B 139 -1.629 16.908 2.586 1.00 0.22 H new ATOM 0 HB2 SER B 139 -2.032 18.657 0.823 1.00 0.28 H new ATOM 0 HB3 SER B 139 -0.339 18.259 1.041 1.00 0.28 H new ATOM 0 HG SER B 139 -0.946 18.324 -1.197 1.00 1.15 H new ATOM 1537 N GLN B 140 -3.296 15.530 0.102 1.00 0.18 N ATOM 1538 CA GLN B 140 -4.618 15.074 -0.316 1.00 0.17 C ATOM 1539 C GLN B 140 -4.931 13.697 0.252 1.00 0.15 C ATOM 1540 O GLN B 140 -5.755 12.972 -0.293 1.00 0.14 O ATOM 1541 CB GLN B 140 -4.711 15.014 -1.838 1.00 0.21 C ATOM 1542 CG GLN B 140 -4.404 16.330 -2.529 1.00 0.26 C ATOM 1543 CD GLN B 140 -5.343 17.448 -2.119 1.00 1.09 C ATOM 1544 OE1 GLN B 140 -6.503 17.210 -1.787 1.00 1.74 O ATOM 1545 NE2 GLN B 140 -4.842 18.678 -2.143 1.00 1.37 N ATOM 0 H GLN B 140 -2.539 15.257 -0.525 1.00 0.18 H new ATOM 0 HA GLN B 140 -5.344 15.791 0.068 1.00 0.17 H new ATOM 0 HB2 GLN B 140 -4.021 14.254 -2.204 1.00 0.21 H new ATOM 0 HB3 GLN B 140 -5.715 14.694 -2.118 1.00 0.21 H new ATOM 0 HG2 GLN B 140 -3.379 16.623 -2.302 1.00 0.26 H new ATOM 0 HG3 GLN B 140 -4.464 16.190 -3.608 1.00 0.26 H new ATOM 0 HE21 GLN B 140 -3.873 18.829 -2.425 1.00 1.37 H new ATOM 0 HE22 GLN B 140 -5.426 19.472 -1.879 1.00 1.37 H new ATOM 1554 N SER B 141 -4.265 13.342 1.339 1.00 0.15 N ATOM 1555 CA SER B 141 -4.458 12.058 1.979 1.00 0.13 C ATOM 1556 C SER B 141 -5.931 11.778 2.253 1.00 0.13 C ATOM 1557 O SER B 141 -6.416 10.672 2.009 1.00 0.18 O ATOM 1558 CB SER B 141 -3.673 12.037 3.283 1.00 0.15 C ATOM 1559 OG SER B 141 -2.288 12.226 3.052 1.00 1.01 O ATOM 0 H SER B 141 -3.577 13.938 1.799 1.00 0.15 H new ATOM 0 HA SER B 141 -4.099 11.278 1.307 1.00 0.13 H new ATOM 0 HB2 SER B 141 -4.044 12.819 3.946 1.00 0.15 H new ATOM 0 HB3 SER B 141 -3.833 11.086 3.791 1.00 0.15 H new ATOM 0 HG SER B 141 -1.984 13.030 3.524 1.00 1.01 H new ATOM 1565 N ALA B 142 -6.637 12.777 2.766 1.00 0.16 N ATOM 1566 CA ALA B 142 -8.052 12.628 3.076 1.00 0.17 C ATOM 1567 C ALA B 142 -8.894 12.589 1.807 1.00 0.17 C ATOM 1568 O ALA B 142 -9.967 11.986 1.785 1.00 0.18 O ATOM 1569 CB ALA B 142 -8.516 13.754 3.984 1.00 0.20 C ATOM 0 H ALA B 142 -6.253 13.698 2.976 1.00 0.16 H new ATOM 0 HA ALA B 142 -8.184 11.679 3.596 1.00 0.17 H new ATOM 0 HB1 ALA B 142 -9.576 13.629 4.207 1.00 0.20 H new ATOM 0 HB2 ALA B 142 -7.945 13.732 4.912 1.00 0.20 H new ATOM 0 HB3 ALA B 142 -8.361 14.711 3.486 1.00 0.20 H new ATOM 1575 N ASN B 143 -8.406 13.233 0.751 1.00 0.17 N ATOM 1576 CA ASN B 143 -9.125 13.266 -0.516 1.00 0.18 C ATOM 1577 C ASN B 143 -8.873 11.990 -1.305 1.00 0.16 C ATOM 1578 O ASN B 143 -9.718 11.543 -2.076 1.00 0.17 O ATOM 1579 CB ASN B 143 -8.702 14.482 -1.335 1.00 0.20 C ATOM 1580 CG ASN B 143 -8.970 15.787 -0.612 1.00 0.23 C ATOM 1581 OD1 ASN B 143 -8.018 16.214 0.211 1.00 0.26 O flip ATOM 1582 ND2 ASN B 143 -10.022 16.403 -0.785 1.00 0.23 N flip ATOM 0 H ASN B 143 -7.519 13.737 0.748 1.00 0.17 H new ATOM 0 HA ASN B 143 -10.192 13.340 -0.304 1.00 0.18 H new ATOM 0 HB2 ASN B 143 -7.639 14.409 -1.566 1.00 0.20 H new ATOM 0 HB3 ASN B 143 -9.236 14.480 -2.285 1.00 0.20 H new ATOM 0 HD21 ASN B 143 -10.727 16.039 -1.427 1.00 0.23 H new ATOM 0 HD22 ASN B 143 -10.189 17.277 -0.287 1.00 0.23 H new ATOM 1589 N LEU B 144 -7.699 11.416 -1.093 1.00 0.14 N ATOM 1590 CA LEU B 144 -7.297 10.193 -1.766 1.00 0.12 C ATOM 1591 C LEU B 144 -7.947 8.994 -1.100 1.00 0.11 C ATOM 1592 O LEU B 144 -8.342 8.035 -1.763 1.00 0.13 O ATOM 1593 CB LEU B 144 -5.776 10.079 -1.733 1.00 0.12 C ATOM 1594 CG LEU B 144 -5.047 11.107 -2.600 1.00 0.13 C ATOM 1595 CD1 LEU B 144 -3.566 11.115 -2.279 1.00 0.14 C ATOM 1596 CD2 LEU B 144 -5.278 10.818 -4.076 1.00 0.14 C ATOM 0 H LEU B 144 -6.999 11.785 -0.450 1.00 0.14 H new ATOM 0 HA LEU B 144 -7.625 10.219 -2.805 1.00 0.12 H new ATOM 0 HB2 LEU B 144 -5.438 10.186 -0.702 1.00 0.12 H new ATOM 0 HB3 LEU B 144 -5.491 9.079 -2.060 1.00 0.12 H new ATOM 0 HG LEU B 144 -5.450 12.096 -2.379 1.00 0.13 H new ATOM 0 HD11 LEU B 144 -3.062 11.852 -2.905 1.00 0.14 H new ATOM 0 HD12 LEU B 144 -3.423 11.371 -1.229 1.00 0.14 H new ATOM 0 HD13 LEU B 144 -3.147 10.128 -2.472 1.00 0.14 H new ATOM 0 HD21 LEU B 144 -4.752 11.559 -4.678 1.00 0.14 H new ATOM 0 HD22 LEU B 144 -4.902 9.823 -4.315 1.00 0.14 H new ATOM 0 HD23 LEU B 144 -6.345 10.865 -4.293 1.00 0.14 H new ATOM 1608 N LEU B 145 -8.053 9.059 0.220 1.00 0.11 N ATOM 1609 CA LEU B 145 -8.690 8.002 0.984 1.00 0.11 C ATOM 1610 C LEU B 145 -10.191 8.106 0.789 1.00 0.12 C ATOM 1611 O LEU B 145 -10.916 7.115 0.861 1.00 0.11 O ATOM 1612 CB LEU B 145 -8.324 8.111 2.469 1.00 0.12 C ATOM 1613 CG LEU B 145 -9.194 7.289 3.426 1.00 0.13 C ATOM 1614 CD1 LEU B 145 -9.217 5.825 3.015 1.00 0.15 C ATOM 1615 CD2 LEU B 145 -8.692 7.432 4.855 1.00 0.16 C ATOM 0 H LEU B 145 -7.705 9.835 0.783 1.00 0.11 H new ATOM 0 HA LEU B 145 -8.341 7.031 0.633 1.00 0.11 H new ATOM 0 HB2 LEU B 145 -7.286 7.802 2.593 1.00 0.12 H new ATOM 0 HB3 LEU B 145 -8.381 9.159 2.763 1.00 0.12 H new ATOM 0 HG LEU B 145 -10.213 7.673 3.375 1.00 0.13 H new ATOM 0 HD11 LEU B 145 -9.841 5.262 3.709 1.00 0.15 H new ATOM 0 HD12 LEU B 145 -9.624 5.736 2.008 1.00 0.15 H new ATOM 0 HD13 LEU B 145 -8.203 5.426 3.033 1.00 0.15 H new ATOM 0 HD21 LEU B 145 -9.321 6.842 5.522 1.00 0.16 H new ATOM 0 HD22 LEU B 145 -7.664 7.076 4.917 1.00 0.16 H new ATOM 0 HD23 LEU B 145 -8.732 8.480 5.151 1.00 0.16 H new ATOM 1627 N ALA B 146 -10.645 9.328 0.533 1.00 0.16 N ATOM 1628 CA ALA B 146 -12.055 9.578 0.295 1.00 0.17 C ATOM 1629 C ALA B 146 -12.468 8.933 -1.019 1.00 0.16 C ATOM 1630 O ALA B 146 -13.440 8.183 -1.076 1.00 0.17 O ATOM 1631 CB ALA B 146 -12.341 11.072 0.268 1.00 0.20 C ATOM 0 H ALA B 146 -10.054 10.158 0.486 1.00 0.16 H new ATOM 0 HA ALA B 146 -12.635 9.141 1.108 1.00 0.17 H new ATOM 0 HB1 ALA B 146 -13.404 11.236 0.088 1.00 0.20 H new ATOM 0 HB2 ALA B 146 -12.063 11.513 1.225 1.00 0.20 H new ATOM 0 HB3 ALA B 146 -11.762 11.539 -0.529 1.00 0.20 H new ATOM 1637 N GLU B 147 -11.702 9.224 -2.067 1.00 0.18 N ATOM 1638 CA GLU B 147 -11.958 8.671 -3.388 1.00 0.19 C ATOM 1639 C GLU B 147 -11.964 7.159 -3.311 1.00 0.16 C ATOM 1640 O GLU B 147 -12.846 6.493 -3.854 1.00 0.18 O ATOM 1641 CB GLU B 147 -10.875 9.127 -4.363 1.00 0.27 C ATOM 1642 CG GLU B 147 -10.879 10.621 -4.621 1.00 0.18 C ATOM 1643 CD GLU B 147 -11.894 11.031 -5.670 1.00 0.39 C ATOM 1644 OE1 GLU B 147 -11.541 11.031 -6.869 1.00 0.57 O ATOM 1645 OE2 GLU B 147 -13.039 11.353 -5.293 1.00 0.62 O ATOM 0 H GLU B 147 -10.894 9.845 -2.023 1.00 0.18 H new ATOM 0 HA GLU B 147 -12.928 9.023 -3.740 1.00 0.19 H new ATOM 0 HB2 GLU B 147 -9.900 8.837 -3.971 1.00 0.27 H new ATOM 0 HB3 GLU B 147 -11.007 8.603 -5.310 1.00 0.27 H new ATOM 0 HG2 GLU B 147 -11.093 11.146 -3.690 1.00 0.18 H new ATOM 0 HG3 GLU B 147 -9.885 10.933 -4.942 1.00 0.18 H new ATOM 1652 N ALA B 148 -10.955 6.632 -2.634 1.00 0.13 N ATOM 1653 CA ALA B 148 -10.818 5.200 -2.445 1.00 0.12 C ATOM 1654 C ALA B 148 -12.104 4.614 -1.880 1.00 0.14 C ATOM 1655 O ALA B 148 -12.581 3.574 -2.332 1.00 0.20 O ATOM 1656 CB ALA B 148 -9.656 4.916 -1.514 1.00 0.11 C ATOM 0 H ALA B 148 -10.213 7.183 -2.203 1.00 0.13 H new ATOM 0 HA ALA B 148 -10.623 4.732 -3.410 1.00 0.12 H new ATOM 0 HB1 ALA B 148 -9.556 3.840 -1.374 1.00 0.11 H new ATOM 0 HB2 ALA B 148 -8.738 5.312 -1.947 1.00 0.11 H new ATOM 0 HB3 ALA B 148 -9.837 5.392 -0.550 1.00 0.11 H new ATOM 1662 N LYS B 149 -12.656 5.296 -0.881 1.00 0.14 N ATOM 1663 CA LYS B 149 -13.894 4.867 -0.247 1.00 0.17 C ATOM 1664 C LYS B 149 -15.067 4.993 -1.212 1.00 0.17 C ATOM 1665 O LYS B 149 -15.989 4.177 -1.189 1.00 0.22 O ATOM 1666 CB LYS B 149 -14.158 5.698 1.009 1.00 0.24 C ATOM 1667 CG LYS B 149 -13.233 5.370 2.164 1.00 0.34 C ATOM 1668 CD LYS B 149 -13.542 6.227 3.380 1.00 0.42 C ATOM 1669 CE LYS B 149 -12.530 5.999 4.487 1.00 0.59 C ATOM 1670 NZ LYS B 149 -12.782 6.877 5.662 1.00 1.01 N ATOM 0 H LYS B 149 -12.261 6.153 -0.493 1.00 0.14 H new ATOM 0 HA LYS B 149 -13.790 3.819 0.034 1.00 0.17 H new ATOM 0 HB2 LYS B 149 -14.056 6.755 0.762 1.00 0.24 H new ATOM 0 HB3 LYS B 149 -15.189 5.543 1.326 1.00 0.24 H new ATOM 0 HG2 LYS B 149 -13.333 4.316 2.424 1.00 0.34 H new ATOM 0 HG3 LYS B 149 -12.198 5.527 1.860 1.00 0.34 H new ATOM 0 HD2 LYS B 149 -13.542 7.279 3.095 1.00 0.42 H new ATOM 0 HD3 LYS B 149 -14.542 5.996 3.746 1.00 0.42 H new ATOM 0 HE2 LYS B 149 -12.564 4.956 4.800 1.00 0.59 H new ATOM 0 HE3 LYS B 149 -11.526 6.184 4.105 1.00 0.59 H new ATOM 0 HZ1 LYS B 149 -12.068 6.689 6.395 1.00 1.01 H new ATOM 0 HZ2 LYS B 149 -12.724 7.873 5.370 1.00 1.01 H new ATOM 0 HZ3 LYS B 149 -13.730 6.683 6.044 1.00 1.01 H new ATOM 1684 N LYS B 150 -15.030 6.019 -2.059 1.00 0.17 N ATOM 1685 CA LYS B 150 -16.094 6.236 -3.032 1.00 0.20 C ATOM 1686 C LYS B 150 -16.058 5.156 -4.103 1.00 0.21 C ATOM 1687 O LYS B 150 -17.089 4.791 -4.667 1.00 0.30 O ATOM 1688 CB LYS B 150 -15.971 7.615 -3.685 1.00 0.25 C ATOM 1689 CG LYS B 150 -15.991 8.769 -2.695 1.00 0.72 C ATOM 1690 CD LYS B 150 -16.245 10.098 -3.388 1.00 0.81 C ATOM 1691 CE LYS B 150 -17.730 10.334 -3.632 1.00 1.28 C ATOM 1692 NZ LYS B 150 -18.304 9.359 -4.600 1.00 1.99 N ATOM 0 H LYS B 150 -14.279 6.709 -2.090 1.00 0.17 H new ATOM 0 HA LYS B 150 -17.046 6.188 -2.503 1.00 0.20 H new ATOM 0 HB2 LYS B 150 -15.043 7.655 -4.256 1.00 0.25 H new ATOM 0 HB3 LYS B 150 -16.788 7.744 -4.395 1.00 0.25 H new ATOM 0 HG2 LYS B 150 -16.765 8.594 -1.948 1.00 0.72 H new ATOM 0 HG3 LYS B 150 -15.039 8.811 -2.165 1.00 0.72 H new ATOM 0 HD2 LYS B 150 -15.843 10.908 -2.779 1.00 0.81 H new ATOM 0 HD3 LYS B 150 -15.712 10.120 -4.339 1.00 0.81 H new ATOM 0 HE2 LYS B 150 -18.267 10.263 -2.686 1.00 1.28 H new ATOM 0 HE3 LYS B 150 -17.878 11.346 -4.008 1.00 1.28 H new ATOM 0 HZ1 LYS B 150 -19.141 9.774 -5.056 1.00 1.99 H new ATOM 0 HZ2 LYS B 150 -17.594 9.130 -5.324 1.00 1.99 H new ATOM 0 HZ3 LYS B 150 -18.578 8.491 -4.097 1.00 1.99 H new ATOM 1706 N LEU B 151 -14.862 4.648 -4.376 1.00 0.16 N ATOM 1707 CA LEU B 151 -14.682 3.603 -5.374 1.00 0.16 C ATOM 1708 C LEU B 151 -15.128 2.260 -4.811 1.00 0.15 C ATOM 1709 O LEU B 151 -15.866 1.514 -5.452 1.00 0.18 O ATOM 1710 CB LEU B 151 -13.216 3.537 -5.813 1.00 0.16 C ATOM 1711 CG LEU B 151 -12.919 2.565 -6.957 1.00 0.16 C ATOM 1712 CD1 LEU B 151 -13.854 2.814 -8.128 1.00 0.18 C ATOM 1713 CD2 LEU B 151 -11.467 2.692 -7.395 1.00 0.18 C ATOM 0 H LEU B 151 -14.000 4.945 -3.918 1.00 0.16 H new ATOM 0 HA LEU B 151 -15.294 3.838 -6.245 1.00 0.16 H new ATOM 0 HB2 LEU B 151 -12.899 4.535 -6.115 1.00 0.16 H new ATOM 0 HB3 LEU B 151 -12.609 3.256 -4.953 1.00 0.16 H new ATOM 0 HG LEU B 151 -13.085 1.549 -6.599 1.00 0.16 H new ATOM 0 HD11 LEU B 151 -13.626 2.113 -8.931 1.00 0.18 H new ATOM 0 HD12 LEU B 151 -14.886 2.674 -7.806 1.00 0.18 H new ATOM 0 HD13 LEU B 151 -13.722 3.834 -8.489 1.00 0.18 H new ATOM 0 HD21 LEU B 151 -11.270 1.995 -8.209 1.00 0.18 H new ATOM 0 HD22 LEU B 151 -11.277 3.710 -7.735 1.00 0.18 H new ATOM 0 HD23 LEU B 151 -10.812 2.462 -6.555 1.00 0.18 H new ATOM 1725 N ASN B 152 -14.658 1.964 -3.607 1.00 0.13 N ATOM 1726 CA ASN B 152 -15.012 0.728 -2.917 1.00 0.14 C ATOM 1727 C ASN B 152 -16.525 0.587 -2.814 1.00 0.17 C ATOM 1728 O ASN B 152 -17.102 -0.398 -3.276 1.00 0.21 O ATOM 1729 CB ASN B 152 -14.391 0.717 -1.520 1.00 0.20 C ATOM 1730 CG ASN B 152 -14.947 -0.386 -0.641 1.00 0.39 C ATOM 1731 OD1 ASN B 152 -14.279 -1.531 -0.636 1.00 1.39 O flip ATOM 1732 ND2 ASN B 152 -15.965 -0.208 0.029 1.00 0.69 N flip ATOM 0 H ASN B 152 -14.025 2.568 -3.083 1.00 0.13 H new ATOM 0 HA ASN B 152 -14.624 -0.114 -3.490 1.00 0.14 H new ATOM 0 HB2 ASN B 152 -13.311 0.596 -1.608 1.00 0.20 H new ATOM 0 HB3 ASN B 152 -14.566 1.680 -1.041 1.00 0.20 H new ATOM 0 HD21 ASN B 152 -16.448 0.690 -0.005 1.00 0.69 H new ATOM 0 HD22 ASN B 152 -16.326 -0.959 0.618 1.00 0.69 H new ATOM 1739 N ASP B 153 -17.160 1.583 -2.207 1.00 0.18 N ATOM 1740 CA ASP B 153 -18.608 1.582 -2.033 1.00 0.23 C ATOM 1741 C ASP B 153 -19.321 1.574 -3.383 1.00 0.25 C ATOM 1742 O ASP B 153 -20.466 1.131 -3.487 1.00 0.31 O ATOM 1743 CB ASP B 153 -19.042 2.800 -1.217 1.00 0.28 C ATOM 1744 CG ASP B 153 -20.532 2.809 -0.941 1.00 1.20 C ATOM 1745 OD1 ASP B 153 -20.951 2.213 0.075 1.00 1.04 O ATOM 1746 OD2 ASP B 153 -21.280 3.411 -1.738 1.00 2.25 O ATOM 0 H ASP B 153 -16.692 2.405 -1.825 1.00 0.18 H new ATOM 0 HA ASP B 153 -18.885 0.675 -1.495 1.00 0.23 H new ATOM 0 HB2 ASP B 153 -18.500 2.812 -0.271 1.00 0.28 H new ATOM 0 HB3 ASP B 153 -18.769 3.709 -1.753 1.00 0.28 H new ATOM 1751 N ALA B 154 -18.639 2.065 -4.414 1.00 0.23 N ATOM 1752 CA ALA B 154 -19.212 2.110 -5.756 1.00 0.28 C ATOM 1753 C ALA B 154 -19.434 0.704 -6.298 1.00 0.30 C ATOM 1754 O ALA B 154 -20.556 0.330 -6.641 1.00 0.35 O ATOM 1755 CB ALA B 154 -18.310 2.904 -6.690 1.00 0.28 C ATOM 0 H ALA B 154 -17.691 2.436 -4.346 1.00 0.23 H new ATOM 0 HA ALA B 154 -20.180 2.608 -5.698 1.00 0.28 H new ATOM 0 HB1 ALA B 154 -18.750 2.929 -7.687 1.00 0.28 H new ATOM 0 HB2 ALA B 154 -18.204 3.922 -6.315 1.00 0.28 H new ATOM 0 HB3 ALA B 154 -17.329 2.431 -6.738 1.00 0.28 H new ATOM 1761 N GLN B 155 -18.357 -0.072 -6.370 1.00 0.30 N ATOM 1762 CA GLN B 155 -18.431 -1.442 -6.865 1.00 0.35 C ATOM 1763 C GLN B 155 -18.993 -2.366 -5.791 1.00 0.36 C ATOM 1764 O GLN B 155 -19.327 -3.520 -6.061 1.00 0.44 O ATOM 1765 CB GLN B 155 -17.045 -1.926 -7.294 1.00 0.35 C ATOM 1766 CG GLN B 155 -16.308 -0.947 -8.193 1.00 0.36 C ATOM 1767 CD GLN B 155 -14.915 -1.423 -8.550 1.00 0.41 C ATOM 1768 OE1 GLN B 155 -14.711 -2.072 -9.577 1.00 0.51 O ATOM 1769 NE2 GLN B 155 -13.947 -1.109 -7.697 1.00 0.39 N ATOM 0 H GLN B 155 -17.422 0.225 -6.091 1.00 0.30 H new ATOM 0 HA GLN B 155 -19.096 -1.461 -7.728 1.00 0.35 H new ATOM 0 HB2 GLN B 155 -16.443 -2.113 -6.404 1.00 0.35 H new ATOM 0 HB3 GLN B 155 -17.147 -2.878 -7.815 1.00 0.35 H new ATOM 0 HG2 GLN B 155 -16.882 -0.795 -9.107 1.00 0.36 H new ATOM 0 HG3 GLN B 155 -16.241 0.020 -7.694 1.00 0.36 H new ATOM 0 HE21 GLN B 155 -14.161 -0.570 -6.858 1.00 0.39 H new ATOM 0 HE22 GLN B 155 -12.989 -1.407 -7.880 1.00 0.39 H new