USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 417 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 3 GLN : amide:sc= 0 X(o=-0.31,f=-0.53) USER MOD Set 1.2: B 7 LYS NZ :NH3+ -133:sc= -0.311 (180deg=-0.758) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0112 K(o=-0.011,f=-0.7) USER MOD Single : A 16 ASN : amide:sc= -3.5! C(o=-3.5!,f=-3.7!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.163 F(o=-0.7,f=-0.16) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 GLN : amide:sc= -0.317 K(o=-0.32,f=-2.1!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -3.93 K(o=-3.9,f=-7.9!) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 GLN : amide:sc= 0.243 X(o=0.24,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 5 -15.087 0.500 -4.360 1.00 0.00 N ATOM 66 CA LEU A 5 -14.331 0.495 -3.113 1.00 0.00 C ATOM 67 C LEU A 5 -13.755 -0.889 -2.831 1.00 0.00 C ATOM 68 O LEU A 5 -12.696 -1.019 -2.218 1.00 0.00 O ATOM 69 CB LEU A 5 -15.220 0.937 -1.950 1.00 0.00 C ATOM 70 CG LEU A 5 -15.714 2.382 -2.026 1.00 0.00 C ATOM 71 CD1 LEU A 5 -16.872 2.601 -1.065 1.00 0.00 C ATOM 72 CD2 LEU A 5 -14.579 3.348 -1.726 1.00 0.00 C ATOM 0 HA LEU A 5 -13.505 1.198 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.085 0.275 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.667 0.807 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.069 2.573 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.211 3.635 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.693 1.933 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.544 2.393 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.948 4.372 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.194 3.157 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.780 3.208 -2.454 1.00 0.00 H new ATOM 84 N GLU A 6 -14.459 -1.921 -3.285 1.00 0.00 N ATOM 85 CA GLU A 6 -14.018 -3.297 -3.082 1.00 0.00 C ATOM 86 C GLU A 6 -12.640 -3.523 -3.691 1.00 0.00 C ATOM 87 O GLU A 6 -11.710 -3.954 -3.008 1.00 0.00 O ATOM 88 CB GLU A 6 -15.022 -4.271 -3.701 1.00 0.00 C ATOM 89 CG GLU A 6 -16.107 -4.722 -2.737 1.00 0.00 C ATOM 90 CD GLU A 6 -15.749 -6.005 -2.015 1.00 0.00 C ATOM 91 OE1 GLU A 6 -14.890 -6.754 -2.524 1.00 0.00 O ATOM 92 OE2 GLU A 6 -16.328 -6.261 -0.937 1.00 0.00 O ATOM 0 H GLU A 6 -15.337 -1.831 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 6 -13.957 -3.477 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.489 -3.798 -4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.487 -5.147 -4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.287 -3.935 -2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.038 -4.866 -3.285 1.00 0.00 H new ATOM 99 N LYS A 7 -12.517 -3.235 -4.982 1.00 0.00 N ATOM 100 CA LYS A 7 -11.254 -3.412 -5.685 1.00 0.00 C ATOM 101 C LYS A 7 -10.197 -2.444 -5.166 1.00 0.00 C ATOM 102 O LYS A 7 -8.998 -2.712 -5.262 1.00 0.00 O ATOM 103 CB LYS A 7 -11.452 -3.218 -7.189 1.00 0.00 C ATOM 104 CG LYS A 7 -12.110 -4.405 -7.871 1.00 0.00 C ATOM 105 CD LYS A 7 -13.625 -4.342 -7.759 1.00 0.00 C ATOM 106 CE LYS A 7 -14.284 -5.551 -8.406 1.00 0.00 C ATOM 107 NZ LYS A 7 -15.046 -6.365 -7.417 1.00 0.00 N ATOM 0 H LYS A 7 -13.277 -2.878 -5.562 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.905 -4.428 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.061 -2.330 -7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.484 -3.033 -7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.822 -4.428 -8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.749 -5.330 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.911 -4.289 -6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.988 -3.431 -8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.956 -5.218 -9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.521 -6.172 -8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.480 -7.179 -7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.400 -6.704 -6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.791 -5.780 -6.986 1.00 0.00 H new ATOM 121 N GLU A 8 -10.642 -1.320 -4.611 1.00 0.00 N ATOM 122 CA GLU A 8 -9.725 -0.323 -4.075 1.00 0.00 C ATOM 123 C GLU A 8 -8.813 -0.941 -3.018 1.00 0.00 C ATOM 124 O GLU A 8 -7.681 -0.498 -2.825 1.00 0.00 O ATOM 125 CB GLU A 8 -10.500 0.850 -3.476 1.00 0.00 C ATOM 126 CG GLU A 8 -9.638 2.073 -3.215 1.00 0.00 C ATOM 127 CD GLU A 8 -10.360 3.141 -2.416 1.00 0.00 C ATOM 128 OE1 GLU A 8 -11.538 2.924 -2.060 1.00 0.00 O ATOM 129 OE2 GLU A 8 -9.748 4.196 -2.145 1.00 0.00 O ATOM 0 H GLU A 8 -11.629 -1.079 -4.522 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.108 0.045 -4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.310 1.123 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.959 0.532 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.739 1.770 -2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.315 2.494 -4.167 1.00 0.00 H new ATOM 136 N VAL A 9 -9.314 -1.973 -2.345 1.00 0.00 N ATOM 137 CA VAL A 9 -8.544 -2.661 -1.317 1.00 0.00 C ATOM 138 C VAL A 9 -7.559 -3.634 -1.953 1.00 0.00 C ATOM 139 O VAL A 9 -6.354 -3.556 -1.717 1.00 0.00 O ATOM 140 CB VAL A 9 -9.465 -3.423 -0.340 1.00 0.00 C ATOM 141 CG1 VAL A 9 -8.653 -4.261 0.638 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.364 -2.450 0.404 1.00 0.00 C ATOM 0 H VAL A 9 -10.250 -2.350 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.996 -1.905 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.091 -4.101 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.327 -4.787 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.055 -4.986 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.995 -3.611 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.008 -3.001 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.751 -1.747 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.979 -1.903 -0.311 1.00 0.00 H new ATOM 152 N ALA A 10 -8.078 -4.544 -2.773 1.00 0.00 N ATOM 153 CA ALA A 10 -7.240 -5.523 -3.454 1.00 0.00 C ATOM 154 C ALA A 10 -6.121 -4.827 -4.221 1.00 0.00 C ATOM 155 O ALA A 10 -5.047 -5.393 -4.427 1.00 0.00 O ATOM 156 CB ALA A 10 -8.080 -6.376 -4.394 1.00 0.00 C ATOM 0 H ALA A 10 -9.073 -4.623 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.789 -6.174 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.440 -7.102 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.846 -6.900 -3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.556 -5.737 -5.138 1.00 0.00 H new ATOM 162 N GLN A 11 -6.382 -3.590 -4.635 1.00 0.00 N ATOM 163 CA GLN A 11 -5.402 -2.804 -5.372 1.00 0.00 C ATOM 164 C GLN A 11 -4.170 -2.537 -4.511 1.00 0.00 C ATOM 165 O GLN A 11 -3.039 -2.749 -4.947 1.00 0.00 O ATOM 166 CB GLN A 11 -6.020 -1.480 -5.825 1.00 0.00 C ATOM 167 CG GLN A 11 -5.080 -0.620 -6.653 1.00 0.00 C ATOM 168 CD GLN A 11 -4.955 -1.104 -8.084 1.00 0.00 C ATOM 169 OE1 GLN A 11 -5.941 -1.498 -8.707 1.00 0.00 O ATOM 170 NE2 GLN A 11 -3.737 -1.077 -8.613 1.00 0.00 N ATOM 0 H GLN A 11 -7.267 -3.111 -4.471 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.096 -3.372 -6.250 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.917 -1.688 -6.409 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.335 -0.917 -4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.439 0.409 -6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.094 -0.614 -6.188 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.948 -0.742 -8.060 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.591 -1.391 -9.572 1.00 0.00 H new ATOM 179 N LEU A 12 -4.399 -2.071 -3.287 1.00 0.00 N ATOM 180 CA LEU A 12 -3.307 -1.778 -2.365 1.00 0.00 C ATOM 181 C LEU A 12 -2.843 -3.041 -1.650 1.00 0.00 C ATOM 182 O LEU A 12 -1.660 -3.201 -1.360 1.00 0.00 O ATOM 183 CB LEU A 12 -3.740 -0.735 -1.335 1.00 0.00 C ATOM 184 CG LEU A 12 -4.385 0.524 -1.916 1.00 0.00 C ATOM 185 CD1 LEU A 12 -5.086 1.313 -0.823 1.00 0.00 C ATOM 186 CD2 LEU A 12 -3.338 1.384 -2.609 1.00 0.00 C ATOM 0 H LEU A 12 -5.329 -1.888 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.476 -1.381 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.444 -1.200 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.868 -0.441 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.129 0.225 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.540 2.206 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.860 0.695 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.361 1.604 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.812 2.276 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.573 1.677 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.877 0.816 -3.417 1.00 0.00 H new ATOM 198 N GLU A 13 -3.780 -3.936 -1.364 1.00 0.00 N ATOM 199 CA GLU A 13 -3.458 -5.184 -0.679 1.00 0.00 C ATOM 200 C GLU A 13 -2.398 -5.971 -1.447 1.00 0.00 C ATOM 201 O GLU A 13 -1.665 -6.770 -0.865 1.00 0.00 O ATOM 202 CB GLU A 13 -4.717 -6.033 -0.501 1.00 0.00 C ATOM 203 CG GLU A 13 -5.378 -5.861 0.857 1.00 0.00 C ATOM 204 CD GLU A 13 -6.588 -6.757 1.035 1.00 0.00 C ATOM 205 OE1 GLU A 13 -7.144 -7.212 0.014 1.00 0.00 O ATOM 206 OE2 GLU A 13 -6.979 -7.004 2.195 1.00 0.00 O ATOM 0 H GLU A 13 -4.767 -3.823 -1.595 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.056 -4.937 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.434 -5.774 -1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.460 -7.083 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.652 -6.078 1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.680 -4.821 0.981 1.00 0.00 H new ATOM 213 N ALA A 14 -2.320 -5.736 -2.753 1.00 0.00 N ATOM 214 CA ALA A 14 -1.349 -6.421 -3.595 1.00 0.00 C ATOM 215 C ALA A 14 -0.041 -5.638 -3.670 1.00 0.00 C ATOM 216 O ALA A 14 1.043 -6.220 -3.676 1.00 0.00 O ATOM 217 CB ALA A 14 -1.917 -6.638 -4.990 1.00 0.00 C ATOM 0 H ALA A 14 -2.918 -5.076 -3.250 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.138 -7.392 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.180 -7.151 -5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.820 -7.244 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.158 -5.674 -5.439 1.00 0.00 H new ATOM 223 N GLU A 15 -0.154 -4.314 -3.726 1.00 0.00 N ATOM 224 CA GLU A 15 1.019 -3.449 -3.798 1.00 0.00 C ATOM 225 C GLU A 15 1.618 -3.230 -2.414 1.00 0.00 C ATOM 226 O GLU A 15 2.802 -3.484 -2.191 1.00 0.00 O ATOM 227 CB GLU A 15 0.647 -2.103 -4.424 1.00 0.00 C ATOM 228 CG GLU A 15 1.845 -1.316 -4.930 1.00 0.00 C ATOM 229 CD GLU A 15 2.038 -1.450 -6.427 1.00 0.00 C ATOM 230 OE1 GLU A 15 2.649 -2.449 -6.860 1.00 0.00 O ATOM 231 OE2 GLU A 15 1.580 -0.555 -7.167 1.00 0.00 O ATOM 0 H GLU A 15 -1.045 -3.817 -3.723 1.00 0.00 H new ATOM 0 HA GLU A 15 1.765 -3.940 -4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.041 -2.274 -5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.114 -1.503 -3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.718 -0.264 -4.676 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.744 -1.661 -4.419 1.00 0.00 H new ATOM 238 N ASN A 16 0.792 -2.757 -1.486 1.00 0.00 N ATOM 239 CA ASN A 16 1.234 -2.504 -0.119 1.00 0.00 C ATOM 240 C ASN A 16 1.907 -3.735 0.481 1.00 0.00 C ATOM 241 O ASN A 16 2.790 -3.619 1.331 1.00 0.00 O ATOM 242 CB ASN A 16 0.045 -2.086 0.748 1.00 0.00 C ATOM 243 CG ASN A 16 0.466 -1.676 2.145 1.00 0.00 C ATOM 244 OD1 ASN A 16 1.614 -1.298 2.376 1.00 0.00 O ATOM 245 ND2 ASN A 16 -0.464 -1.751 3.087 1.00 0.00 N ATOM 0 H ASN A 16 -0.190 -2.541 -1.657 1.00 0.00 H new ATOM 0 HA ASN A 16 1.965 -1.696 -0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.476 -1.256 0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.663 -2.912 0.812 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.240 -1.490 4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.404 -2.070 2.852 1.00 0.00 H new ATOM 252 N TYR A 17 1.485 -4.912 0.032 1.00 0.00 N ATOM 253 CA TYR A 17 2.048 -6.164 0.523 1.00 0.00 C ATOM 254 C TYR A 17 3.368 -6.476 -0.176 1.00 0.00 C ATOM 255 O TYR A 17 4.341 -6.880 0.462 1.00 0.00 O ATOM 256 CB TYR A 17 1.056 -7.311 0.309 1.00 0.00 C ATOM 257 CG TYR A 17 1.605 -8.669 0.687 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.327 -9.426 -0.228 1.00 0.00 C ATOM 259 CD2 TYR A 17 1.400 -9.195 1.956 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.830 -10.666 0.112 1.00 0.00 C ATOM 261 CE2 TYR A 17 1.899 -10.436 2.303 1.00 0.00 C ATOM 262 CZ TYR A 17 2.614 -11.167 1.377 1.00 0.00 C ATOM 263 OH TYR A 17 3.113 -12.403 1.720 1.00 0.00 O ATOM 0 H TYR A 17 0.755 -5.025 -0.671 1.00 0.00 H new ATOM 0 HA TYR A 17 2.241 -6.056 1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.158 -7.116 0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.756 -7.329 -0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.497 -9.038 -1.221 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.841 -8.625 2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.390 -11.241 -0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.730 -10.831 3.294 1.00 0.00 H new ATOM 0 HH TYR A 17 2.873 -12.607 2.648 1.00 0.00 H new ATOM 273 N GLN A 18 3.394 -6.287 -1.491 1.00 0.00 N ATOM 274 CA GLN A 18 4.593 -6.551 -2.278 1.00 0.00 C ATOM 275 C GLN A 18 5.755 -5.672 -1.824 1.00 0.00 C ATOM 276 O GLN A 18 6.919 -6.044 -1.969 1.00 0.00 O ATOM 277 CB GLN A 18 4.313 -6.315 -3.763 1.00 0.00 C ATOM 278 CG GLN A 18 5.235 -7.095 -4.687 1.00 0.00 C ATOM 279 CD GLN A 18 4.568 -7.469 -5.995 1.00 0.00 C ATOM 280 OE1 GLN A 18 4.175 -6.601 -6.776 1.00 0.00 O ATOM 281 NE2 GLN A 18 4.435 -8.767 -6.243 1.00 0.00 N ATOM 0 H GLN A 18 2.598 -5.952 -2.034 1.00 0.00 H new ATOM 0 HA GLN A 18 4.872 -7.594 -2.125 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.280 -6.589 -3.978 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.412 -5.251 -3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.124 -6.500 -4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.569 -8.001 -4.181 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.775 -9.453 -5.568 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.993 -9.078 -7.108 1.00 0.00 H new ATOM 290 N LEU A 19 5.432 -4.503 -1.277 1.00 0.00 N ATOM 291 CA LEU A 19 6.453 -3.574 -0.808 1.00 0.00 C ATOM 292 C LEU A 19 6.822 -3.851 0.645 1.00 0.00 C ATOM 293 O LEU A 19 7.990 -4.051 0.969 1.00 0.00 O ATOM 294 CB LEU A 19 5.964 -2.133 -0.954 1.00 0.00 C ATOM 295 CG LEU A 19 5.456 -1.761 -2.348 1.00 0.00 C ATOM 296 CD1 LEU A 19 4.571 -0.527 -2.281 1.00 0.00 C ATOM 297 CD2 LEU A 19 6.623 -1.533 -3.296 1.00 0.00 C ATOM 0 H LEU A 19 4.474 -4.178 -1.148 1.00 0.00 H new ATOM 0 HA LEU A 19 7.343 -3.716 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.163 -1.962 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.779 -1.460 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 19 4.860 -2.589 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.219 -0.277 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.716 -0.727 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.143 0.309 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.244 -1.269 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.246 -0.722 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.217 -2.444 -3.367 1.00 0.00 H new ATOM 309 N GLU A 20 5.820 -3.860 1.519 1.00 0.00 N ATOM 310 CA GLU A 20 6.040 -4.108 2.941 1.00 0.00 C ATOM 311 C GLU A 20 6.937 -5.325 3.165 1.00 0.00 C ATOM 312 O GLU A 20 7.641 -5.411 4.171 1.00 0.00 O ATOM 313 CB GLU A 20 4.703 -4.310 3.656 1.00 0.00 C ATOM 314 CG GLU A 20 4.770 -4.059 5.153 1.00 0.00 C ATOM 315 CD GLU A 20 4.052 -5.126 5.957 1.00 0.00 C ATOM 316 OE1 GLU A 20 2.831 -4.983 6.176 1.00 0.00 O ATOM 317 OE2 GLU A 20 4.711 -6.106 6.366 1.00 0.00 O ATOM 0 H GLU A 20 4.845 -3.698 1.267 1.00 0.00 H new ATOM 0 HA GLU A 20 6.544 -3.235 3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.961 -3.643 3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.358 -5.329 3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.814 -4.016 5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.331 -3.086 5.374 1.00 0.00 H new ATOM 324 N GLN A 21 6.904 -6.264 2.225 1.00 0.00 N ATOM 325 CA GLN A 21 7.714 -7.474 2.328 1.00 0.00 C ATOM 326 C GLN A 21 9.085 -7.277 1.684 1.00 0.00 C ATOM 327 O GLN A 21 10.060 -7.920 2.073 1.00 0.00 O ATOM 328 CB GLN A 21 6.989 -8.651 1.670 1.00 0.00 C ATOM 329 CG GLN A 21 6.898 -9.881 2.558 1.00 0.00 C ATOM 330 CD GLN A 21 8.256 -10.366 3.023 1.00 0.00 C ATOM 331 OE1 GLN A 21 8.703 -9.864 4.168 1.00 0.00 O flip ATOM 332 NE2 GLN A 21 8.895 -11.184 2.362 1.00 0.00 N flip ATOM 0 H GLN A 21 6.327 -6.211 1.385 1.00 0.00 H new ATOM 0 HA GLN A 21 7.864 -7.691 3.386 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.982 -8.338 1.392 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.506 -8.916 0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.281 -9.652 3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.397 -10.682 2.013 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.512 -11.543 1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.807 -11.503 2.689 1.00 0.00 H new ATOM 341 N GLU A 22 9.152 -6.388 0.697 1.00 0.00 N ATOM 342 CA GLU A 22 10.404 -6.114 0.001 1.00 0.00 C ATOM 343 C GLU A 22 11.215 -5.047 0.730 1.00 0.00 C ATOM 344 O GLU A 22 12.446 -5.075 0.722 1.00 0.00 O ATOM 345 CB GLU A 22 10.123 -5.666 -1.434 1.00 0.00 C ATOM 346 CG GLU A 22 11.336 -5.747 -2.347 1.00 0.00 C ATOM 347 CD GLU A 22 10.987 -6.254 -3.733 1.00 0.00 C ATOM 348 OE1 GLU A 22 10.188 -5.589 -4.425 1.00 0.00 O ATOM 349 OE2 GLU A 22 11.515 -7.316 -4.126 1.00 0.00 O ATOM 0 H GLU A 22 8.355 -5.846 0.362 1.00 0.00 H new ATOM 0 HA GLU A 22 10.988 -7.034 -0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.325 -6.283 -1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.758 -4.639 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.792 -4.760 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.080 -6.406 -1.899 1.00 0.00 H new ATOM 356 N VAL A 23 10.518 -4.107 1.356 1.00 0.00 N ATOM 357 CA VAL A 23 11.170 -3.029 2.090 1.00 0.00 C ATOM 358 C VAL A 23 11.904 -3.562 3.314 1.00 0.00 C ATOM 359 O VAL A 23 12.911 -2.998 3.742 1.00 0.00 O ATOM 360 CB VAL A 23 10.155 -1.959 2.542 1.00 0.00 C ATOM 361 CG1 VAL A 23 10.877 -0.707 3.017 1.00 0.00 C ATOM 362 CG2 VAL A 23 9.181 -1.630 1.419 1.00 0.00 C ATOM 0 H VAL A 23 9.499 -4.069 1.370 1.00 0.00 H new ATOM 0 HA VAL A 23 11.888 -2.574 1.407 1.00 0.00 H new ATOM 0 HB VAL A 23 9.582 -2.361 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.146 0.037 3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.525 -0.957 3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.478 -0.303 2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.474 -0.873 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.732 -1.250 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.638 -2.531 1.133 1.00 0.00 H new ATOM 372 N ALA A 24 11.393 -4.653 3.876 1.00 0.00 N ATOM 373 CA ALA A 24 11.998 -5.264 5.053 1.00 0.00 C ATOM 374 C ALA A 24 13.399 -5.793 4.753 1.00 0.00 C ATOM 375 O ALA A 24 14.173 -6.072 5.668 1.00 0.00 O ATOM 376 CB ALA A 24 11.112 -6.383 5.576 1.00 0.00 C ATOM 0 H ALA A 24 10.560 -5.132 3.534 1.00 0.00 H new ATOM 0 HA ALA A 24 12.092 -4.494 5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.574 -6.832 6.455 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.136 -5.979 5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.990 -7.142 4.803 1.00 0.00 H new ATOM 382 N GLN A 25 13.722 -5.935 3.469 1.00 0.00 N ATOM 383 CA GLN A 25 15.031 -6.438 3.065 1.00 0.00 C ATOM 384 C GLN A 25 15.850 -5.353 2.369 1.00 0.00 C ATOM 385 O GLN A 25 17.079 -5.363 2.423 1.00 0.00 O ATOM 386 CB GLN A 25 14.870 -7.644 2.138 1.00 0.00 C ATOM 387 CG GLN A 25 14.313 -8.876 2.833 1.00 0.00 C ATOM 388 CD GLN A 25 15.320 -10.006 2.918 1.00 0.00 C ATOM 389 OE1 GLN A 25 15.299 -10.935 2.112 1.00 0.00 O ATOM 390 NE2 GLN A 25 16.211 -9.932 3.900 1.00 0.00 N ATOM 0 H GLN A 25 13.098 -5.710 2.695 1.00 0.00 H new ATOM 0 HA GLN A 25 15.565 -6.744 3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.210 -7.373 1.314 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.839 -7.889 1.703 1.00 0.00 H new ATOM 0 HG2 GLN A 25 13.990 -8.606 3.839 1.00 0.00 H new ATOM 0 HG3 GLN A 25 13.429 -9.222 2.297 1.00 0.00 H new ATOM 0 HE21 GLN A 25 16.193 -9.144 4.547 1.00 0.00 H new ATOM 0 HE22 GLN A 25 16.914 -10.664 4.007 1.00 0.00 H new ATOM 399 N LEU A 26 15.164 -4.422 1.713 1.00 0.00 N ATOM 400 CA LEU A 26 15.836 -3.338 1.005 1.00 0.00 C ATOM 401 C LEU A 26 16.634 -2.463 1.969 1.00 0.00 C ATOM 402 O LEU A 26 17.859 -2.563 2.041 1.00 0.00 O ATOM 403 CB LEU A 26 14.818 -2.485 0.247 1.00 0.00 C ATOM 404 CG LEU A 26 14.265 -3.119 -1.030 1.00 0.00 C ATOM 405 CD1 LEU A 26 13.284 -2.177 -1.713 1.00 0.00 C ATOM 406 CD2 LEU A 26 15.399 -3.487 -1.975 1.00 0.00 C ATOM 0 H LEU A 26 14.146 -4.396 1.657 1.00 0.00 H new ATOM 0 HA LEU A 26 16.530 -3.783 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.985 -2.262 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.284 -1.534 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 26 13.732 -4.031 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.901 -2.645 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.456 -1.962 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.792 -1.248 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.988 -3.937 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.959 -2.590 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.064 -4.199 -1.486 1.00 0.00 H new ATOM 418 N GLU A 27 15.935 -1.604 2.703 1.00 0.00 N ATOM 419 CA GLU A 27 16.582 -0.709 3.657 1.00 0.00 C ATOM 420 C GLU A 27 17.271 -1.496 4.769 1.00 0.00 C ATOM 421 O GLU A 27 18.312 -1.083 5.279 1.00 0.00 O ATOM 422 CB GLU A 27 15.561 0.259 4.258 1.00 0.00 C ATOM 423 CG GLU A 27 14.444 -0.433 5.022 1.00 0.00 C ATOM 424 CD GLU A 27 14.860 -0.841 6.422 1.00 0.00 C ATOM 425 OE1 GLU A 27 15.465 -0.007 7.128 1.00 0.00 O ATOM 426 OE2 GLU A 27 14.580 -1.993 6.812 1.00 0.00 O ATOM 0 H GLU A 27 14.921 -1.508 2.656 1.00 0.00 H new ATOM 0 HA GLU A 27 17.340 -0.139 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.076 0.947 4.928 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.126 0.858 3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.583 0.233 5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.125 -1.317 4.470 1.00 0.00 H new ATOM 513 N GLN B 3 -18.258 2.690 3.719 1.00 0.00 N ATOM 514 CA GLN B 3 -17.327 3.000 4.798 1.00 0.00 C ATOM 515 C GLN B 3 -16.633 1.743 5.312 1.00 0.00 C ATOM 516 O GLN B 3 -15.451 1.766 5.650 1.00 0.00 O ATOM 517 CB GLN B 3 -18.070 3.689 5.944 1.00 0.00 C ATOM 518 CG GLN B 3 -18.731 4.998 5.542 1.00 0.00 C ATOM 519 CD GLN B 3 -18.634 6.056 6.624 1.00 0.00 C ATOM 520 OE1 GLN B 3 -19.079 5.849 7.752 1.00 0.00 O ATOM 521 NE2 GLN B 3 -18.051 7.199 6.281 1.00 0.00 N ATOM 0 HA GLN B 3 -16.563 3.670 4.403 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -18.831 3.012 6.332 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -17.369 3.880 6.757 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -18.264 5.372 4.631 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -19.780 4.815 5.311 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -17.696 7.326 5.333 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -17.958 7.949 6.965 1.00 0.00 H new ATOM 530 N ALA B 4 -17.378 0.648 5.378 1.00 0.00 N ATOM 531 CA ALA B 4 -16.832 -0.616 5.866 1.00 0.00 C ATOM 532 C ALA B 4 -15.586 -1.028 5.087 1.00 0.00 C ATOM 533 O ALA B 4 -14.703 -1.697 5.625 1.00 0.00 O ATOM 534 CB ALA B 4 -17.887 -1.710 5.803 1.00 0.00 C ATOM 0 H ALA B 4 -18.359 0.607 5.101 1.00 0.00 H new ATOM 0 HA ALA B 4 -16.538 -0.471 6.905 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -17.464 -2.645 6.170 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -18.739 -1.430 6.422 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -18.215 -1.840 4.772 1.00 0.00 H new ATOM 540 N LEU B 5 -15.511 -0.618 3.828 1.00 0.00 N ATOM 541 CA LEU B 5 -14.362 -0.940 2.989 1.00 0.00 C ATOM 542 C LEU B 5 -13.582 0.326 2.676 1.00 0.00 C ATOM 543 O LEU B 5 -12.356 0.370 2.774 1.00 0.00 O ATOM 544 CB LEU B 5 -14.820 -1.600 1.689 1.00 0.00 C ATOM 545 CG LEU B 5 -14.918 -3.126 1.729 1.00 0.00 C ATOM 546 CD1 LEU B 5 -15.781 -3.632 0.584 1.00 0.00 C ATOM 547 CD2 LEU B 5 -13.532 -3.750 1.667 1.00 0.00 C ATOM 0 H LEU B 5 -16.230 -0.063 3.365 1.00 0.00 H new ATOM 0 HA LEU B 5 -13.719 -1.636 3.528 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -15.796 -1.197 1.421 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -14.129 -1.318 0.895 1.00 0.00 H new ATOM 0 HG LEU B 5 -15.385 -3.418 2.669 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -15.841 -4.720 0.626 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -16.782 -3.210 0.669 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.339 -3.330 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -13.620 -4.836 1.697 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -13.039 -3.451 0.742 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -12.942 -3.411 2.518 1.00 0.00 H new ATOM 559 N LYS B 6 -14.327 1.356 2.309 1.00 0.00 N ATOM 560 CA LYS B 6 -13.771 2.657 1.981 1.00 0.00 C ATOM 561 C LYS B 6 -12.732 3.089 3.016 1.00 0.00 C ATOM 562 O LYS B 6 -11.725 3.710 2.674 1.00 0.00 O ATOM 563 CB LYS B 6 -14.913 3.672 1.918 1.00 0.00 C ATOM 564 CG LYS B 6 -14.463 5.127 1.928 1.00 0.00 C ATOM 565 CD LYS B 6 -15.092 5.915 0.790 1.00 0.00 C ATOM 566 CE LYS B 6 -16.335 6.660 1.248 1.00 0.00 C ATOM 567 NZ LYS B 6 -16.003 7.985 1.842 1.00 0.00 N ATOM 0 H LYS B 6 -15.343 1.311 2.230 1.00 0.00 H new ATOM 0 HA LYS B 6 -13.267 2.600 1.016 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -15.495 3.491 1.014 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -15.579 3.504 2.765 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -14.731 5.585 2.880 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -13.377 5.173 1.847 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -14.366 6.625 0.393 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -15.352 5.237 -0.023 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -17.007 6.800 0.401 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -16.869 6.057 1.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -16.878 8.460 2.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -15.383 7.850 2.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -15.516 8.571 1.134 1.00 0.00 H new ATOM 581 N LYS B 7 -12.982 2.757 4.279 1.00 0.00 N ATOM 582 CA LYS B 7 -12.065 3.115 5.354 1.00 0.00 C ATOM 583 C LYS B 7 -10.946 2.089 5.476 1.00 0.00 C ATOM 584 O LYS B 7 -9.792 2.440 5.717 1.00 0.00 O ATOM 585 CB LYS B 7 -12.817 3.226 6.680 1.00 0.00 C ATOM 586 CG LYS B 7 -13.463 4.585 6.899 1.00 0.00 C ATOM 587 CD LYS B 7 -14.978 4.479 6.957 1.00 0.00 C ATOM 588 CE LYS B 7 -15.449 3.936 8.298 1.00 0.00 C ATOM 589 NZ LYS B 7 -16.472 4.817 8.925 1.00 0.00 N ATOM 0 H LYS B 7 -13.809 2.242 4.582 1.00 0.00 H new ATOM 0 HA LYS B 7 -11.624 4.082 5.114 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -13.588 2.456 6.717 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -12.126 3.025 7.499 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -13.092 5.020 7.827 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -13.175 5.260 6.093 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -15.419 5.461 6.786 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.329 3.828 6.156 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -15.865 2.938 8.160 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -14.596 3.836 8.969 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -16.230 4.974 9.924 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -16.496 5.730 8.427 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -17.406 4.364 8.862 1.00 0.00 H new ATOM 603 N ARG B 8 -11.295 0.820 5.310 1.00 0.00 N ATOM 604 CA ARG B 8 -10.317 -0.258 5.404 1.00 0.00 C ATOM 605 C ARG B 8 -9.195 -0.069 4.379 1.00 0.00 C ATOM 606 O ARG B 8 -8.080 -0.556 4.570 1.00 0.00 O ATOM 607 CB ARG B 8 -11.004 -1.619 5.217 1.00 0.00 C ATOM 608 CG ARG B 8 -11.088 -2.092 3.771 1.00 0.00 C ATOM 609 CD ARG B 8 -10.089 -3.204 3.489 1.00 0.00 C ATOM 610 NE ARG B 8 -10.750 -4.472 3.191 1.00 0.00 N ATOM 611 CZ ARG B 8 -10.976 -5.427 4.094 1.00 0.00 C ATOM 612 NH1 ARG B 8 -10.622 -5.255 5.362 1.00 0.00 N ATOM 613 NH2 ARG B 8 -11.567 -6.555 3.727 1.00 0.00 N ATOM 0 H ARG B 8 -12.246 0.511 5.110 1.00 0.00 H new ATOM 0 HA ARG B 8 -9.870 -0.231 6.398 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -10.466 -2.366 5.800 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.013 -1.562 5.626 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.097 -2.446 3.561 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -10.899 -1.253 3.101 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.457 -2.919 2.648 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.434 -3.330 4.351 1.00 0.00 H new ATOM 0 HE ARG B 8 -11.058 -4.637 2.233 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -10.173 -4.387 5.653 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -10.799 -5.991 6.045 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -11.848 -6.691 2.756 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -11.741 -7.287 4.416 1.00 0.00 H new ATOM 627 N VAL B 9 -9.500 0.640 3.296 1.00 0.00 N ATOM 628 CA VAL B 9 -8.519 0.892 2.245 1.00 0.00 C ATOM 629 C VAL B 9 -7.383 1.773 2.754 1.00 0.00 C ATOM 630 O VAL B 9 -6.211 1.504 2.488 1.00 0.00 O ATOM 631 CB VAL B 9 -9.172 1.562 1.018 1.00 0.00 C ATOM 632 CG1 VAL B 9 -8.145 1.802 -0.081 1.00 0.00 C ATOM 633 CG2 VAL B 9 -10.324 0.715 0.500 1.00 0.00 C ATOM 0 H VAL B 9 -10.418 1.050 3.123 1.00 0.00 H new ATOM 0 HA VAL B 9 -8.115 -0.075 1.947 1.00 0.00 H new ATOM 0 HB VAL B 9 -9.567 2.530 1.328 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -8.630 2.275 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -7.356 2.453 0.295 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -7.714 0.850 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -10.773 1.202 -0.365 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -9.952 -0.268 0.211 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -11.074 0.603 1.283 1.00 0.00 H new ATOM 643 N GLN B 10 -7.734 2.830 3.481 1.00 0.00 N ATOM 644 CA GLN B 10 -6.739 3.751 4.020 1.00 0.00 C ATOM 645 C GLN B 10 -5.671 3.003 4.815 1.00 0.00 C ATOM 646 O GLN B 10 -4.544 3.479 4.957 1.00 0.00 O ATOM 647 CB GLN B 10 -7.412 4.806 4.905 1.00 0.00 C ATOM 648 CG GLN B 10 -7.874 4.277 6.255 1.00 0.00 C ATOM 649 CD GLN B 10 -7.093 4.868 7.413 1.00 0.00 C ATOM 650 OE1 GLN B 10 -6.501 5.940 7.295 1.00 0.00 O ATOM 651 NE2 GLN B 10 -7.088 4.169 8.542 1.00 0.00 N ATOM 0 H GLN B 10 -8.699 3.070 3.710 1.00 0.00 H new ATOM 0 HA GLN B 10 -6.253 4.249 3.181 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -6.715 5.628 5.068 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -8.271 5.217 4.374 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -8.933 4.500 6.385 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -7.772 3.192 6.270 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -7.593 3.284 8.596 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -6.580 4.517 9.355 1.00 0.00 H new ATOM 660 N ALA B 11 -6.031 1.834 5.333 1.00 0.00 N ATOM 661 CA ALA B 11 -5.102 1.026 6.115 1.00 0.00 C ATOM 662 C ALA B 11 -4.074 0.325 5.226 1.00 0.00 C ATOM 663 O ALA B 11 -3.154 -0.324 5.726 1.00 0.00 O ATOM 664 CB ALA B 11 -5.864 0.003 6.943 1.00 0.00 C ATOM 0 H ALA B 11 -6.959 1.425 5.226 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.560 1.697 6.781 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.159 -0.594 7.522 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.546 0.518 7.620 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -6.434 -0.649 6.281 1.00 0.00 H new ATOM 670 N LEU B 12 -4.228 0.450 3.909 1.00 0.00 N ATOM 671 CA LEU B 12 -3.304 -0.181 2.973 1.00 0.00 C ATOM 672 C LEU B 12 -2.412 0.857 2.297 1.00 0.00 C ATOM 673 O LEU B 12 -1.195 0.692 2.222 1.00 0.00 O ATOM 674 CB LEU B 12 -4.067 -0.972 1.903 1.00 0.00 C ATOM 675 CG LEU B 12 -5.415 -1.550 2.344 1.00 0.00 C ATOM 676 CD1 LEU B 12 -6.306 -1.800 1.137 1.00 0.00 C ATOM 677 CD2 LEU B 12 -5.214 -2.837 3.130 1.00 0.00 C ATOM 0 H LEU B 12 -4.980 0.980 3.469 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.677 -0.865 3.545 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.234 -0.321 1.045 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.434 -1.792 1.562 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.905 -0.823 2.992 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.260 -2.211 1.468 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.478 -0.861 0.611 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.819 -2.508 0.466 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.183 -3.232 3.435 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.704 -3.569 2.505 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.611 -2.633 4.015 1.00 0.00 H new ATOM 689 N LYS B 13 -3.031 1.923 1.796 1.00 0.00 N ATOM 690 CA LYS B 13 -2.296 2.984 1.113 1.00 0.00 C ATOM 691 C LYS B 13 -1.600 3.916 2.103 1.00 0.00 C ATOM 692 O LYS B 13 -0.671 4.636 1.738 1.00 0.00 O ATOM 693 CB LYS B 13 -3.234 3.789 0.205 1.00 0.00 C ATOM 694 CG LYS B 13 -4.525 4.236 0.877 1.00 0.00 C ATOM 695 CD LYS B 13 -4.256 5.236 1.991 1.00 0.00 C ATOM 696 CE LYS B 13 -5.349 6.290 2.071 1.00 0.00 C ATOM 697 NZ LYS B 13 -4.804 7.668 1.911 1.00 0.00 N ATOM 0 H LYS B 13 -4.038 2.075 1.850 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.528 2.508 0.503 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.703 4.669 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -3.483 3.185 -0.668 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -5.186 4.685 0.135 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -5.044 3.368 1.283 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.186 4.711 2.943 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -3.294 5.720 1.822 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -6.093 6.101 1.297 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.860 6.211 3.030 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.580 8.358 1.972 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -4.113 7.858 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.338 7.752 0.985 1.00 0.00 H new ATOM 711 N ALA B 14 -2.049 3.901 3.355 1.00 0.00 N ATOM 712 CA ALA B 14 -1.459 4.751 4.384 1.00 0.00 C ATOM 713 C ALA B 14 0.038 4.494 4.525 1.00 0.00 C ATOM 714 O ALA B 14 0.839 5.428 4.545 1.00 0.00 O ATOM 715 CB ALA B 14 -2.159 4.530 5.717 1.00 0.00 C ATOM 0 H ALA B 14 -2.816 3.312 3.680 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.595 5.789 4.079 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.708 5.171 6.475 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.217 4.774 5.617 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.054 3.487 6.015 1.00 0.00 H new ATOM 721 N ARG B 15 0.407 3.222 4.625 1.00 0.00 N ATOM 722 CA ARG B 15 1.808 2.843 4.765 1.00 0.00 C ATOM 723 C ARG B 15 2.462 2.656 3.400 1.00 0.00 C ATOM 724 O ARG B 15 3.620 3.022 3.201 1.00 0.00 O ATOM 725 CB ARG B 15 1.928 1.555 5.582 1.00 0.00 C ATOM 726 CG ARG B 15 3.243 1.431 6.335 1.00 0.00 C ATOM 727 CD ARG B 15 3.106 1.887 7.779 1.00 0.00 C ATOM 728 NE ARG B 15 3.212 0.771 8.718 1.00 0.00 N ATOM 729 CZ ARG B 15 3.351 0.920 10.033 1.00 0.00 C ATOM 730 NH1 ARG B 15 3.398 2.133 10.569 1.00 0.00 N ATOM 731 NH2 ARG B 15 3.442 -0.148 10.815 1.00 0.00 N ATOM 0 H ARG B 15 -0.244 2.437 4.612 1.00 0.00 H new ATOM 0 HA ARG B 15 2.326 3.648 5.287 1.00 0.00 H new ATOM 0 HB2 ARG B 15 1.105 1.509 6.295 1.00 0.00 H new ATOM 0 HB3 ARG B 15 1.819 0.700 4.915 1.00 0.00 H new ATOM 0 HG2 ARG B 15 3.581 0.395 6.310 1.00 0.00 H new ATOM 0 HG3 ARG B 15 4.007 2.027 5.835 1.00 0.00 H new ATOM 0 HD2 ARG B 15 3.879 2.623 8.002 1.00 0.00 H new ATOM 0 HD3 ARG B 15 2.145 2.383 7.913 1.00 0.00 H new ATOM 0 HE ARG B 15 3.177 -0.177 8.343 1.00 0.00 H new ATOM 0 HH11 ARG B 15 3.327 2.957 9.972 1.00 0.00 H new ATOM 0 HH12 ARG B 15 3.505 2.241 11.578 1.00 0.00 H new ATOM 0 HH21 ARG B 15 3.405 -1.083 10.408 1.00 0.00 H new ATOM 0 HH22 ARG B 15 3.549 -0.034 11.823 1.00 0.00 H new ATOM 745 N ASN B 16 1.713 2.082 2.465 1.00 0.00 N ATOM 746 CA ASN B 16 2.217 1.842 1.117 1.00 0.00 C ATOM 747 C ASN B 16 2.697 3.138 0.469 1.00 0.00 C ATOM 748 O ASN B 16 3.736 3.163 -0.191 1.00 0.00 O ATOM 749 CB ASN B 16 1.130 1.194 0.256 1.00 0.00 C ATOM 750 CG ASN B 16 1.570 0.973 -1.179 1.00 0.00 C ATOM 751 OD1 ASN B 16 2.689 1.318 -1.559 1.00 0.00 O ATOM 752 ND2 ASN B 16 0.689 0.393 -1.985 1.00 0.00 N ATOM 0 H ASN B 16 0.753 1.774 2.616 1.00 0.00 H new ATOM 0 HA ASN B 16 3.068 1.164 1.189 1.00 0.00 H new ATOM 0 HB2 ASN B 16 0.847 0.238 0.696 1.00 0.00 H new ATOM 0 HB3 ASN B 16 0.241 1.825 0.266 1.00 0.00 H new ATOM 0 HD21 ASN B 16 0.929 0.217 -2.961 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -0.228 0.123 -1.629 1.00 0.00 H new ATOM 759 N TYR B 17 1.936 4.212 0.658 1.00 0.00 N ATOM 760 CA TYR B 17 2.288 5.508 0.085 1.00 0.00 C ATOM 761 C TYR B 17 3.727 5.887 0.428 1.00 0.00 C ATOM 762 O TYR B 17 4.437 6.469 -0.391 1.00 0.00 O ATOM 763 CB TYR B 17 1.330 6.591 0.586 1.00 0.00 C ATOM 764 CG TYR B 17 1.664 7.976 0.078 1.00 0.00 C ATOM 765 CD1 TYR B 17 1.125 8.450 -1.112 1.00 0.00 C ATOM 766 CD2 TYR B 17 2.521 8.808 0.788 1.00 0.00 C ATOM 767 CE1 TYR B 17 1.432 9.713 -1.580 1.00 0.00 C ATOM 768 CE2 TYR B 17 2.831 10.072 0.328 1.00 0.00 C ATOM 769 CZ TYR B 17 2.284 10.521 -0.857 1.00 0.00 C ATOM 770 OH TYR B 17 2.592 11.780 -1.320 1.00 0.00 O ATOM 0 H TYR B 17 1.073 4.211 1.202 1.00 0.00 H new ATOM 0 HA TYR B 17 2.202 5.430 -0.999 1.00 0.00 H new ATOM 0 HB2 TYR B 17 0.315 6.336 0.281 1.00 0.00 H new ATOM 0 HB3 TYR B 17 1.343 6.600 1.676 1.00 0.00 H new ATOM 0 HD1 TYR B 17 0.456 7.821 -1.680 1.00 0.00 H new ATOM 0 HD2 TYR B 17 2.952 8.460 1.715 1.00 0.00 H new ATOM 0 HE1 TYR B 17 1.007 10.066 -2.508 1.00 0.00 H new ATOM 0 HE2 TYR B 17 3.498 10.706 0.893 1.00 0.00 H new ATOM 0 HH TYR B 17 3.204 12.219 -0.693 1.00 0.00 H new ATOM 780 N ALA B 18 4.148 5.554 1.643 1.00 0.00 N ATOM 781 CA ALA B 18 5.500 5.863 2.090 1.00 0.00 C ATOM 782 C ALA B 18 6.519 4.944 1.427 1.00 0.00 C ATOM 783 O ALA B 18 7.540 5.404 0.915 1.00 0.00 O ATOM 784 CB ALA B 18 5.596 5.760 3.604 1.00 0.00 C ATOM 0 H ALA B 18 3.574 5.071 2.334 1.00 0.00 H new ATOM 0 HA ALA B 18 5.728 6.887 1.795 1.00 0.00 H new ATOM 0 HB1 ALA B 18 6.612 5.994 3.921 1.00 0.00 H new ATOM 0 HB2 ALA B 18 4.902 6.465 4.061 1.00 0.00 H new ATOM 0 HB3 ALA B 18 5.343 4.747 3.917 1.00 0.00 H new ATOM 790 N LEU B 19 6.238 3.645 1.432 1.00 0.00 N ATOM 791 CA LEU B 19 7.142 2.679 0.820 1.00 0.00 C ATOM 792 C LEU B 19 7.230 2.921 -0.681 1.00 0.00 C ATOM 793 O LEU B 19 8.312 3.086 -1.230 1.00 0.00 O ATOM 794 CB LEU B 19 6.687 1.239 1.086 1.00 0.00 C ATOM 795 CG LEU B 19 5.927 1.016 2.396 1.00 0.00 C ATOM 796 CD1 LEU B 19 5.713 -0.470 2.639 1.00 0.00 C ATOM 797 CD2 LEU B 19 6.674 1.646 3.563 1.00 0.00 C ATOM 0 H LEU B 19 5.400 3.240 1.849 1.00 0.00 H new ATOM 0 HA LEU B 19 8.126 2.814 1.269 1.00 0.00 H new ATOM 0 HB2 LEU B 19 6.052 0.919 0.260 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.565 0.593 1.082 1.00 0.00 H new ATOM 0 HG LEU B 19 4.952 1.497 2.315 1.00 0.00 H new ATOM 0 HD11 LEU B 19 5.171 -0.611 3.574 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.135 -0.894 1.817 1.00 0.00 H new ATOM 0 HD13 LEU B 19 6.679 -0.972 2.700 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.118 1.477 4.485 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.663 1.195 3.648 1.00 0.00 H new ATOM 0 HD23 LEU B 19 6.777 2.718 3.393 1.00 0.00 H new ATOM 809 N LYS B 20 6.077 2.954 -1.341 1.00 0.00 N ATOM 810 CA LYS B 20 6.021 3.183 -2.783 1.00 0.00 C ATOM 811 C LYS B 20 6.942 4.329 -3.204 1.00 0.00 C ATOM 812 O LYS B 20 7.413 4.373 -4.340 1.00 0.00 O ATOM 813 CB LYS B 20 4.587 3.493 -3.210 1.00 0.00 C ATOM 814 CG LYS B 20 4.165 2.786 -4.488 1.00 0.00 C ATOM 815 CD LYS B 20 2.652 2.765 -4.641 1.00 0.00 C ATOM 816 CE LYS B 20 2.240 2.370 -6.050 1.00 0.00 C ATOM 817 NZ LYS B 20 0.801 2.651 -6.306 1.00 0.00 N ATOM 0 H LYS B 20 5.166 2.825 -0.900 1.00 0.00 H new ATOM 0 HA LYS B 20 6.362 2.273 -3.277 1.00 0.00 H new ATOM 0 HB2 LYS B 20 3.908 3.208 -2.406 1.00 0.00 H new ATOM 0 HB3 LYS B 20 4.483 4.569 -3.349 1.00 0.00 H new ATOM 0 HG2 LYS B 20 4.611 3.287 -5.347 1.00 0.00 H new ATOM 0 HG3 LYS B 20 4.545 1.764 -4.482 1.00 0.00 H new ATOM 0 HD2 LYS B 20 2.223 2.064 -3.925 1.00 0.00 H new ATOM 0 HD3 LYS B 20 2.248 3.749 -4.405 1.00 0.00 H new ATOM 0 HE2 LYS B 20 2.850 2.912 -6.772 1.00 0.00 H new ATOM 0 HE3 LYS B 20 2.435 1.308 -6.201 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.559 2.368 -7.277 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 0.217 2.114 -5.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 0.619 3.668 -6.187 1.00 0.00 H new ATOM 831 N GLN B 21 7.182 5.259 -2.285 1.00 0.00 N ATOM 832 CA GLN B 21 8.032 6.410 -2.565 1.00 0.00 C ATOM 833 C GLN B 21 9.509 6.117 -2.277 1.00 0.00 C ATOM 834 O GLN B 21 10.383 6.501 -3.054 1.00 0.00 O ATOM 835 CB GLN B 21 7.565 7.614 -1.742 1.00 0.00 C ATOM 836 CG GLN B 21 8.444 8.845 -1.903 1.00 0.00 C ATOM 837 CD GLN B 21 7.717 10.001 -2.564 1.00 0.00 C ATOM 838 OE1 GLN B 21 7.426 9.963 -3.759 1.00 0.00 O ATOM 839 NE2 GLN B 21 7.422 11.037 -1.787 1.00 0.00 N ATOM 0 H GLN B 21 6.799 5.238 -1.340 1.00 0.00 H new ATOM 0 HA GLN B 21 7.945 6.635 -3.628 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.545 7.867 -2.032 1.00 0.00 H new ATOM 0 HB3 GLN B 21 7.537 7.334 -0.689 1.00 0.00 H new ATOM 0 HG2 GLN B 21 8.804 9.160 -0.924 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.321 8.585 -2.497 1.00 0.00 H new ATOM 0 HE21 GLN B 21 7.683 11.025 -0.801 1.00 0.00 H new ATOM 0 HE22 GLN B 21 6.935 11.844 -2.176 1.00 0.00 H new ATOM 848 N LYS B 22 9.785 5.459 -1.154 1.00 0.00 N ATOM 849 CA LYS B 22 11.163 5.147 -0.769 1.00 0.00 C ATOM 850 C LYS B 22 11.625 3.795 -1.313 1.00 0.00 C ATOM 851 O LYS B 22 12.801 3.621 -1.633 1.00 0.00 O ATOM 852 CB LYS B 22 11.303 5.168 0.753 1.00 0.00 C ATOM 853 CG LYS B 22 10.319 4.254 1.465 1.00 0.00 C ATOM 854 CD LYS B 22 11.032 3.203 2.301 1.00 0.00 C ATOM 855 CE LYS B 22 11.917 3.838 3.363 1.00 0.00 C ATOM 856 NZ LYS B 22 11.773 3.160 4.681 1.00 0.00 N ATOM 0 H LYS B 22 9.078 5.132 -0.496 1.00 0.00 H new ATOM 0 HA LYS B 22 11.801 5.914 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS B 22 12.318 4.875 1.021 1.00 0.00 H new ATOM 0 HB3 LYS B 22 11.162 6.189 1.109 1.00 0.00 H new ATOM 0 HG2 LYS B 22 9.668 4.849 2.106 1.00 0.00 H new ATOM 0 HG3 LYS B 22 9.681 3.763 0.730 1.00 0.00 H new ATOM 0 HD2 LYS B 22 10.296 2.557 2.779 1.00 0.00 H new ATOM 0 HD3 LYS B 22 11.638 2.571 1.652 1.00 0.00 H new ATOM 0 HE2 LYS B 22 12.958 3.793 3.043 1.00 0.00 H new ATOM 0 HE3 LYS B 22 11.661 4.892 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 12.392 3.621 5.378 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 10.785 3.225 4.999 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 12.042 2.160 4.588 1.00 0.00 H new ATOM 870 N VAL B 23 10.702 2.838 -1.401 1.00 0.00 N ATOM 871 CA VAL B 23 11.013 1.492 -1.890 1.00 0.00 C ATOM 872 C VAL B 23 12.005 1.527 -3.055 1.00 0.00 C ATOM 873 O VAL B 23 13.120 1.013 -2.947 1.00 0.00 O ATOM 874 CB VAL B 23 9.736 0.743 -2.334 1.00 0.00 C ATOM 875 CG1 VAL B 23 10.084 -0.553 -3.057 1.00 0.00 C ATOM 876 CG2 VAL B 23 8.842 0.460 -1.136 1.00 0.00 C ATOM 0 H VAL B 23 9.725 2.970 -1.138 1.00 0.00 H new ATOM 0 HA VAL B 23 11.469 0.959 -1.056 1.00 0.00 H new ATOM 0 HB VAL B 23 9.194 1.383 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL B 23 9.167 -1.059 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL B 23 10.681 -0.328 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.653 -1.200 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL B 23 7.947 -0.068 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL B 23 9.382 -0.156 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.555 1.401 -0.666 1.00 0.00 H new ATOM 886 N GLN B 24 11.592 2.130 -4.164 1.00 0.00 N ATOM 887 CA GLN B 24 12.445 2.225 -5.345 1.00 0.00 C ATOM 888 C GLN B 24 13.783 2.876 -5.006 1.00 0.00 C ATOM 889 O GLN B 24 14.800 2.589 -5.638 1.00 0.00 O ATOM 890 CB GLN B 24 11.743 3.021 -6.447 1.00 0.00 C ATOM 891 CG GLN B 24 11.269 4.393 -5.999 1.00 0.00 C ATOM 892 CD GLN B 24 10.168 4.946 -6.884 1.00 0.00 C ATOM 893 OE1 GLN B 24 10.342 5.091 -8.094 1.00 0.00 O ATOM 894 NE2 GLN B 24 9.026 5.258 -6.283 1.00 0.00 N ATOM 0 H GLN B 24 10.673 2.560 -4.271 1.00 0.00 H new ATOM 0 HA GLN B 24 12.636 1.213 -5.702 1.00 0.00 H new ATOM 0 HB2 GLN B 24 12.425 3.139 -7.289 1.00 0.00 H new ATOM 0 HB3 GLN B 24 10.887 2.450 -6.807 1.00 0.00 H new ATOM 0 HG2 GLN B 24 10.909 4.332 -4.972 1.00 0.00 H new ATOM 0 HG3 GLN B 24 12.113 5.083 -6.000 1.00 0.00 H new ATOM 0 HE21 GLN B 24 8.925 5.122 -5.277 1.00 0.00 H new ATOM 0 HE22 GLN B 24 8.250 5.634 -6.827 1.00 0.00 H new ATOM 903 N ALA B 25 13.776 3.751 -4.007 1.00 0.00 N ATOM 904 CA ALA B 25 14.990 4.440 -3.586 1.00 0.00 C ATOM 905 C ALA B 25 15.936 3.490 -2.859 1.00 0.00 C ATOM 906 O ALA B 25 17.152 3.558 -3.031 1.00 0.00 O ATOM 907 CB ALA B 25 14.642 5.625 -2.697 1.00 0.00 C ATOM 0 H ALA B 25 12.943 4.000 -3.473 1.00 0.00 H new ATOM 0 HA ALA B 25 15.499 4.806 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA B 25 15.557 6.131 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA B 25 14.011 6.321 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA B 25 14.108 5.273 -1.814 1.00 0.00 H new ATOM 913 N LEU B 26 15.369 2.604 -2.046 1.00 0.00 N ATOM 914 CA LEU B 26 16.163 1.640 -1.294 1.00 0.00 C ATOM 915 C LEU B 26 16.823 0.631 -2.229 1.00 0.00 C ATOM 916 O LEU B 26 17.975 0.248 -2.031 1.00 0.00 O ATOM 917 CB LEU B 26 15.287 0.908 -0.275 1.00 0.00 C ATOM 918 CG LEU B 26 14.386 1.806 0.574 1.00 0.00 C ATOM 919 CD1 LEU B 26 13.529 0.969 1.510 1.00 0.00 C ATOM 920 CD2 LEU B 26 15.219 2.807 1.361 1.00 0.00 C ATOM 0 H LEU B 26 14.363 2.534 -1.892 1.00 0.00 H new ATOM 0 HA LEU B 26 16.944 2.186 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.661 0.191 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.933 0.335 0.391 1.00 0.00 H new ATOM 0 HG LEU B 26 13.725 2.360 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU B 26 12.894 1.625 2.106 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.905 0.293 0.925 1.00 0.00 H new ATOM 0 HD13 LEU B 26 14.173 0.388 2.171 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.561 3.437 1.959 1.00 0.00 H new ATOM 0 HD22 LEU B 26 15.905 2.273 2.018 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.788 3.429 0.670 1.00 0.00 H new ATOM 932 N ARG B 27 16.084 0.204 -3.247 1.00 0.00 N ATOM 933 CA ARG B 27 16.597 -0.763 -4.213 1.00 0.00 C ATOM 934 C ARG B 27 17.446 -0.083 -5.289 1.00 0.00 C ATOM 935 O ARG B 27 17.953 -0.744 -6.195 1.00 0.00 O ATOM 936 CB ARG B 27 15.443 -1.528 -4.867 1.00 0.00 C ATOM 937 CG ARG B 27 14.456 -0.639 -5.606 1.00 0.00 C ATOM 938 CD ARG B 27 13.052 -1.224 -5.580 1.00 0.00 C ATOM 939 NE ARG B 27 12.408 -1.161 -6.889 1.00 0.00 N ATOM 940 CZ ARG B 27 11.162 -1.566 -7.122 1.00 0.00 C ATOM 941 NH1 ARG B 27 10.423 -2.064 -6.138 1.00 0.00 N ATOM 942 NH2 ARG B 27 10.652 -1.473 -8.343 1.00 0.00 N ATOM 0 H ARG B 27 15.128 0.512 -3.425 1.00 0.00 H new ATOM 0 HA ARG B 27 17.232 -1.464 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG B 27 15.853 -2.258 -5.565 1.00 0.00 H new ATOM 0 HB3 ARG B 27 14.909 -2.087 -4.099 1.00 0.00 H new ATOM 0 HG2 ARG B 27 14.447 0.352 -5.152 1.00 0.00 H new ATOM 0 HG3 ARG B 27 14.780 -0.514 -6.639 1.00 0.00 H new ATOM 0 HD2 ARG B 27 13.098 -2.261 -5.248 1.00 0.00 H new ATOM 0 HD3 ARG B 27 12.447 -0.683 -4.852 1.00 0.00 H new ATOM 0 HE ARG B 27 12.945 -0.785 -7.671 1.00 0.00 H new ATOM 0 HH11 ARG B 27 10.810 -2.138 -5.197 1.00 0.00 H new ATOM 0 HH12 ARG B 27 9.469 -2.373 -6.323 1.00 0.00 H new ATOM 0 HH21 ARG B 27 11.215 -1.091 -9.103 1.00 0.00 H new ATOM 0 HH22 ARG B 27 9.697 -1.783 -8.522 1.00 0.00 H new