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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= -3.17! C(o=-3.2!,f=-3.3!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0555 X(o=-0.056,f=-0.4) USER MOD Single : A 21 GLN : amide:sc= -0.516 K(o=-0.52,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 151:sc= -0.186 (180deg=-0.911) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.4) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -5.95! C(o=-5.9!,f=-8.7!) 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=-0.0055) USER MOD Single : B 22 LYS NZ :NH3+ 162:sc= -0.0677 (180deg=-0.432) USER MOD Single : B 24 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 5 -14.690 0.713 -3.703 1.00 0.00 N ATOM 66 CA LEU A 5 -14.064 0.590 -2.391 1.00 0.00 C ATOM 67 C LEU A 5 -13.743 -0.867 -2.076 1.00 0.00 C ATOM 68 O LEU A 5 -12.682 -1.175 -1.531 1.00 0.00 O ATOM 69 CB LEU A 5 -14.975 1.174 -1.309 1.00 0.00 C ATOM 70 CG LEU A 5 -15.223 2.680 -1.414 1.00 0.00 C ATOM 71 CD1 LEU A 5 -16.312 3.110 -0.444 1.00 0.00 C ATOM 72 CD2 LEU A 5 -13.939 3.453 -1.151 1.00 0.00 C ATOM 0 HA LEU A 5 -13.130 1.152 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.935 0.660 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.538 0.960 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.557 2.903 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.475 4.184 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.237 2.582 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.006 2.872 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.135 4.522 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.575 3.224 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.185 3.167 -1.885 1.00 0.00 H new ATOM 84 N GLU A 6 -14.661 -1.763 -2.427 1.00 0.00 N ATOM 85 CA GLU A 6 -14.470 -3.190 -2.186 1.00 0.00 C ATOM 86 C GLU A 6 -13.199 -3.683 -2.868 1.00 0.00 C ATOM 87 O GLU A 6 -12.188 -3.935 -2.213 1.00 0.00 O ATOM 88 CB GLU A 6 -15.675 -3.983 -2.697 1.00 0.00 C ATOM 89 CG GLU A 6 -16.982 -3.629 -2.003 1.00 0.00 C ATOM 90 CD GLU A 6 -17.634 -4.825 -1.336 1.00 0.00 C ATOM 91 OE1 GLU A 6 -17.332 -5.083 -0.153 1.00 0.00 O ATOM 92 OE2 GLU A 6 -18.446 -5.504 -2.000 1.00 0.00 O ATOM 0 H GLU A 6 -15.544 -1.526 -2.879 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.374 -3.344 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.784 -3.810 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.481 -5.047 -2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.794 -2.859 -1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.672 -3.204 -2.732 1.00 0.00 H new ATOM 99 N LYS A 7 -13.256 -3.813 -4.189 1.00 0.00 N ATOM 100 CA LYS A 7 -12.107 -4.270 -4.966 1.00 0.00 C ATOM 101 C LYS A 7 -10.897 -3.374 -4.721 1.00 0.00 C ATOM 102 O LYS A 7 -9.754 -3.800 -4.894 1.00 0.00 O ATOM 103 CB LYS A 7 -12.442 -4.303 -6.462 1.00 0.00 C ATOM 104 CG LYS A 7 -13.341 -3.163 -6.917 1.00 0.00 C ATOM 105 CD LYS A 7 -13.364 -3.040 -8.434 1.00 0.00 C ATOM 106 CE LYS A 7 -13.275 -1.589 -8.880 1.00 0.00 C ATOM 107 NZ LYS A 7 -12.200 -1.383 -9.889 1.00 0.00 N ATOM 0 H LYS A 7 -14.086 -3.608 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.863 -5.281 -4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.514 -4.271 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.927 -5.251 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.354 -3.328 -6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.992 -2.227 -6.481 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.532 -3.603 -8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.281 -3.485 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.232 -1.279 -9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.087 -0.954 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.172 -0.381 -10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.283 -1.654 -9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.393 -1.969 -10.726 1.00 0.00 H new ATOM 121 N GLU A 8 -11.152 -2.136 -4.307 1.00 0.00 N ATOM 122 CA GLU A 8 -10.078 -1.190 -4.030 1.00 0.00 C ATOM 123 C GLU A 8 -9.139 -1.745 -2.964 1.00 0.00 C ATOM 124 O GLU A 8 -7.950 -1.427 -2.942 1.00 0.00 O ATOM 125 CB GLU A 8 -10.652 0.151 -3.578 1.00 0.00 C ATOM 126 CG GLU A 8 -9.655 1.294 -3.658 1.00 0.00 C ATOM 127 CD GLU A 8 -10.314 2.624 -3.970 1.00 0.00 C ATOM 128 OE1 GLU A 8 -10.757 2.810 -5.124 1.00 0.00 O ATOM 129 OE2 GLU A 8 -10.389 3.477 -3.062 1.00 0.00 O ATOM 0 H GLU A 8 -12.091 -1.766 -4.157 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.511 -1.036 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.519 0.392 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.005 0.059 -2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.120 1.371 -2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.914 1.071 -4.426 1.00 0.00 H new ATOM 136 N VAL A 9 -9.682 -2.584 -2.086 1.00 0.00 N ATOM 137 CA VAL A 9 -8.895 -3.193 -1.022 1.00 0.00 C ATOM 138 C VAL A 9 -7.969 -4.263 -1.590 1.00 0.00 C ATOM 139 O VAL A 9 -6.750 -4.192 -1.432 1.00 0.00 O ATOM 140 CB VAL A 9 -9.801 -3.813 0.062 1.00 0.00 C ATOM 141 CG1 VAL A 9 -8.981 -4.605 1.073 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.607 -2.728 0.758 1.00 0.00 C ATOM 0 H VAL A 9 -10.665 -2.857 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.298 -2.406 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.491 -4.503 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.644 -5.031 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.450 -5.408 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.262 -3.944 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.242 -3.179 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.929 -2.015 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.229 -2.211 0.027 1.00 0.00 H new ATOM 152 N ALA A 10 -8.555 -5.250 -2.262 1.00 0.00 N ATOM 153 CA ALA A 10 -7.778 -6.327 -2.864 1.00 0.00 C ATOM 154 C ALA A 10 -6.707 -5.764 -3.791 1.00 0.00 C ATOM 155 O ALA A 10 -5.670 -6.388 -4.015 1.00 0.00 O ATOM 156 CB ALA A 10 -8.692 -7.278 -3.622 1.00 0.00 C ATOM 0 H ALA A 10 -9.562 -5.326 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.283 -6.882 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.098 -8.077 -4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.421 -7.707 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.213 -6.732 -4.409 1.00 0.00 H new ATOM 162 N GLN A 11 -6.967 -4.571 -4.323 1.00 0.00 N ATOM 163 CA GLN A 11 -6.029 -3.911 -5.220 1.00 0.00 C ATOM 164 C GLN A 11 -4.749 -3.537 -4.476 1.00 0.00 C ATOM 165 O GLN A 11 -3.649 -3.900 -4.893 1.00 0.00 O ATOM 166 CB GLN A 11 -6.673 -2.663 -5.829 1.00 0.00 C ATOM 167 CG GLN A 11 -5.727 -1.841 -6.691 1.00 0.00 C ATOM 168 CD GLN A 11 -6.136 -1.817 -8.150 1.00 0.00 C ATOM 169 OE1 GLN A 11 -5.872 -2.759 -8.897 1.00 0.00 O ATOM 170 NE2 GLN A 11 -6.784 -0.736 -8.565 1.00 0.00 N ATOM 0 H GLN A 11 -7.822 -4.043 -4.146 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.771 -4.602 -6.023 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.529 -2.965 -6.432 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.056 -2.034 -5.025 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.691 -0.820 -6.311 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.719 -2.248 -6.607 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.982 0.022 -7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.084 -0.663 -9.537 1.00 0.00 H new ATOM 179 N LEU A 12 -4.901 -2.813 -3.370 1.00 0.00 N ATOM 180 CA LEU A 12 -3.754 -2.399 -2.570 1.00 0.00 C ATOM 181 C LEU A 12 -3.178 -3.578 -1.796 1.00 0.00 C ATOM 182 O LEU A 12 -1.977 -3.636 -1.540 1.00 0.00 O ATOM 183 CB LEU A 12 -4.151 -1.290 -1.597 1.00 0.00 C ATOM 184 CG LEU A 12 -4.743 -0.038 -2.244 1.00 0.00 C ATOM 185 CD1 LEU A 12 -5.360 0.864 -1.188 1.00 0.00 C ATOM 186 CD2 LEU A 12 -3.673 0.710 -3.025 1.00 0.00 C ATOM 0 H LEU A 12 -5.803 -2.503 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.991 -2.020 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.877 -1.692 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.271 -1.001 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.527 -0.343 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.777 1.751 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.152 0.326 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.594 1.163 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.109 1.599 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.869 1.005 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.272 0.063 -3.805 1.00 0.00 H new ATOM 198 N GLU A 13 -4.039 -4.518 -1.426 1.00 0.00 N ATOM 199 CA GLU A 13 -3.604 -5.695 -0.682 1.00 0.00 C ATOM 200 C GLU A 13 -2.583 -6.496 -1.483 1.00 0.00 C ATOM 201 O GLU A 13 -1.758 -7.212 -0.915 1.00 0.00 O ATOM 202 CB GLU A 13 -4.804 -6.575 -0.329 1.00 0.00 C ATOM 203 CG GLU A 13 -5.448 -6.218 1.002 1.00 0.00 C ATOM 204 CD GLU A 13 -6.711 -7.012 1.270 1.00 0.00 C ATOM 205 OE1 GLU A 13 -7.302 -7.533 0.301 1.00 0.00 O ATOM 206 OE2 GLU A 13 -7.109 -7.114 2.449 1.00 0.00 O ATOM 0 H GLU A 13 -5.038 -4.489 -1.628 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.130 -5.358 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.551 -6.491 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.485 -7.617 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.734 -6.396 1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.683 -5.154 1.014 1.00 0.00 H new ATOM 213 N ALA A 14 -2.641 -6.368 -2.806 1.00 0.00 N ATOM 214 CA ALA A 14 -1.717 -7.076 -3.682 1.00 0.00 C ATOM 215 C ALA A 14 -0.465 -6.245 -3.941 1.00 0.00 C ATOM 216 O ALA A 14 0.641 -6.780 -4.029 1.00 0.00 O ATOM 217 CB ALA A 14 -2.400 -7.428 -4.995 1.00 0.00 C ATOM 0 H ALA A 14 -3.318 -5.781 -3.293 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.415 -7.998 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.698 -7.957 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.262 -8.065 -4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.730 -6.515 -5.490 1.00 0.00 H new ATOM 223 N GLU A 15 -0.645 -4.933 -4.056 1.00 0.00 N ATOM 224 CA GLU A 15 0.471 -4.026 -4.299 1.00 0.00 C ATOM 225 C GLU A 15 1.192 -3.695 -2.997 1.00 0.00 C ATOM 226 O GLU A 15 2.403 -3.880 -2.883 1.00 0.00 O ATOM 227 CB GLU A 15 -0.024 -2.738 -4.962 1.00 0.00 C ATOM 228 CG GLU A 15 1.071 -1.963 -5.677 1.00 0.00 C ATOM 229 CD GLU A 15 0.836 -1.859 -7.172 1.00 0.00 C ATOM 230 OE1 GLU A 15 -0.192 -1.273 -7.572 1.00 0.00 O ATOM 231 OE2 GLU A 15 1.680 -2.365 -7.941 1.00 0.00 O ATOM 0 H GLU A 15 -1.553 -4.474 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 15 1.173 -4.524 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.809 -2.985 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.474 -2.098 -4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.137 -0.961 -5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.030 -2.448 -5.497 1.00 0.00 H new ATOM 238 N ASN A 16 0.436 -3.208 -2.017 1.00 0.00 N ATOM 239 CA ASN A 16 0.996 -2.853 -0.718 1.00 0.00 C ATOM 240 C ASN A 16 1.812 -4.007 -0.140 1.00 0.00 C ATOM 241 O ASN A 16 2.783 -3.792 0.585 1.00 0.00 O ATOM 242 CB ASN A 16 -0.127 -2.467 0.248 1.00 0.00 C ATOM 243 CG ASN A 16 0.390 -2.113 1.629 1.00 0.00 C ATOM 244 OD1 ASN A 16 1.586 -1.902 1.823 1.00 0.00 O ATOM 245 ND2 ASN A 16 -0.514 -2.047 2.598 1.00 0.00 N ATOM 0 H ASN A 16 -0.568 -3.050 -2.099 1.00 0.00 H new ATOM 0 HA ASN A 16 1.662 -2.001 -0.854 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.676 -1.618 -0.159 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.832 -3.294 0.329 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.227 -1.814 3.548 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.496 -2.230 2.392 1.00 0.00 H new ATOM 252 N TYR A 17 1.411 -5.231 -0.467 1.00 0.00 N ATOM 253 CA TYR A 17 2.104 -6.419 0.019 1.00 0.00 C ATOM 254 C TYR A 17 3.395 -6.655 -0.760 1.00 0.00 C ATOM 255 O TYR A 17 4.426 -6.999 -0.182 1.00 0.00 O ATOM 256 CB TYR A 17 1.193 -7.646 -0.093 1.00 0.00 C ATOM 257 CG TYR A 17 1.875 -8.948 0.264 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.621 -9.067 1.430 1.00 0.00 C ATOM 259 CD2 TYR A 17 1.775 -10.056 -0.566 1.00 0.00 C ATOM 260 CE1 TYR A 17 3.246 -10.254 1.758 1.00 0.00 C ATOM 261 CE2 TYR A 17 2.396 -11.248 -0.245 1.00 0.00 C ATOM 262 CZ TYR A 17 3.131 -11.342 0.919 1.00 0.00 C ATOM 263 OH TYR A 17 3.753 -12.526 1.242 1.00 0.00 O ATOM 0 H TYR A 17 0.609 -5.426 -1.067 1.00 0.00 H new ATOM 0 HA TYR A 17 2.360 -6.258 1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.331 -7.507 0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.814 -7.713 -1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.714 -8.218 2.091 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.202 -9.985 -1.479 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.823 -10.330 2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.307 -12.101 -0.901 1.00 0.00 H new ATOM 0 HH TYR A 17 3.571 -13.192 0.546 1.00 0.00 H new ATOM 273 N GLN A 18 3.330 -6.470 -2.074 1.00 0.00 N ATOM 274 CA GLN A 18 4.494 -6.667 -2.933 1.00 0.00 C ATOM 275 C GLN A 18 5.663 -5.790 -2.493 1.00 0.00 C ATOM 276 O GLN A 18 6.824 -6.120 -2.737 1.00 0.00 O ATOM 277 CB GLN A 18 4.135 -6.362 -4.390 1.00 0.00 C ATOM 278 CG GLN A 18 4.806 -7.291 -5.389 1.00 0.00 C ATOM 279 CD GLN A 18 6.011 -6.658 -6.056 1.00 0.00 C ATOM 280 OE1 GLN A 18 5.949 -5.521 -6.525 1.00 0.00 O ATOM 281 NE2 GLN A 18 7.115 -7.393 -6.102 1.00 0.00 N ATOM 0 H GLN A 18 2.485 -6.184 -2.568 1.00 0.00 H new ATOM 0 HA GLN A 18 4.799 -7.710 -2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.054 -6.431 -4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.416 -5.334 -4.617 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.115 -8.204 -4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.084 -7.581 -6.152 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.121 -8.331 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.958 -7.020 -6.539 1.00 0.00 H new ATOM 290 N LEU A 19 5.353 -4.671 -1.844 1.00 0.00 N ATOM 291 CA LEU A 19 6.381 -3.751 -1.374 1.00 0.00 C ATOM 292 C LEU A 19 6.727 -4.019 0.086 1.00 0.00 C ATOM 293 O LEU A 19 7.898 -4.094 0.451 1.00 0.00 O ATOM 294 CB LEU A 19 5.916 -2.305 -1.541 1.00 0.00 C ATOM 295 CG LEU A 19 5.491 -1.920 -2.960 1.00 0.00 C ATOM 296 CD1 LEU A 19 4.857 -0.538 -2.972 1.00 0.00 C ATOM 297 CD2 LEU A 19 6.684 -1.970 -3.904 1.00 0.00 C ATOM 0 H LEU A 19 4.398 -4.381 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 19 7.276 -3.910 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.078 -2.129 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.722 -1.642 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 19 4.748 -2.640 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.561 -0.282 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.978 -0.535 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.576 0.195 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.365 -1.694 -4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.448 -1.273 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.094 -2.980 -3.919 1.00 0.00 H new ATOM 309 N GLU A 20 5.702 -4.161 0.921 1.00 0.00 N ATOM 310 CA GLU A 20 5.901 -4.418 2.346 1.00 0.00 C ATOM 311 C GLU A 20 6.897 -5.554 2.572 1.00 0.00 C ATOM 312 O GLU A 20 7.576 -5.602 3.597 1.00 0.00 O ATOM 313 CB GLU A 20 4.568 -4.754 3.016 1.00 0.00 C ATOM 314 CG GLU A 20 4.531 -4.421 4.498 1.00 0.00 C ATOM 315 CD GLU A 20 4.671 -5.649 5.376 1.00 0.00 C ATOM 316 OE1 GLU A 20 4.106 -6.703 5.016 1.00 0.00 O ATOM 317 OE2 GLU A 20 5.346 -5.557 6.422 1.00 0.00 O ATOM 0 H GLU A 20 4.724 -4.103 0.637 1.00 0.00 H new ATOM 0 HA GLU A 20 6.310 -3.512 2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.770 -4.211 2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.363 -5.817 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.333 -3.720 4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.592 -3.918 4.730 1.00 0.00 H new ATOM 324 N GLN A 21 6.979 -6.467 1.608 1.00 0.00 N ATOM 325 CA GLN A 21 7.893 -7.600 1.706 1.00 0.00 C ATOM 326 C GLN A 21 9.225 -7.288 1.030 1.00 0.00 C ATOM 327 O GLN A 21 10.268 -7.814 1.420 1.00 0.00 O ATOM 328 CB GLN A 21 7.266 -8.843 1.074 1.00 0.00 C ATOM 329 CG GLN A 21 7.643 -10.138 1.776 1.00 0.00 C ATOM 330 CD GLN A 21 7.318 -10.116 3.256 1.00 0.00 C ATOM 331 OE1 GLN A 21 6.152 -10.160 3.648 1.00 0.00 O ATOM 332 NE2 GLN A 21 8.352 -10.048 4.087 1.00 0.00 N ATOM 0 H GLN A 21 6.425 -6.444 0.752 1.00 0.00 H new ATOM 0 HA GLN A 21 8.080 -7.792 2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.181 -8.737 1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.572 -8.903 0.030 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.117 -10.968 1.305 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.710 -10.321 1.645 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.302 -10.013 3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.196 -10.030 5.095 1.00 0.00 H new ATOM 341 N GLU A 22 9.184 -6.432 0.013 1.00 0.00 N ATOM 342 CA GLU A 22 10.390 -6.055 -0.715 1.00 0.00 C ATOM 343 C GLU A 22 11.142 -4.942 0.010 1.00 0.00 C ATOM 344 O GLU A 22 12.356 -4.802 -0.140 1.00 0.00 O ATOM 345 CB GLU A 22 10.033 -5.604 -2.134 1.00 0.00 C ATOM 346 CG GLU A 22 11.158 -5.805 -3.135 1.00 0.00 C ATOM 347 CD GLU A 22 10.711 -5.581 -4.567 1.00 0.00 C ATOM 348 OE1 GLU A 22 9.491 -5.649 -4.825 1.00 0.00 O ATOM 349 OE2 GLU A 22 11.581 -5.339 -5.429 1.00 0.00 O ATOM 0 H GLU A 22 8.330 -5.987 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 22 11.039 -6.929 -0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.155 -6.154 -2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.760 -4.549 -2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.974 -5.121 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.552 -6.816 -3.035 1.00 0.00 H new ATOM 356 N VAL A 23 10.414 -4.153 0.793 1.00 0.00 N ATOM 357 CA VAL A 23 11.013 -3.054 1.540 1.00 0.00 C ATOM 358 C VAL A 23 11.752 -3.568 2.770 1.00 0.00 C ATOM 359 O VAL A 23 12.755 -2.992 3.189 1.00 0.00 O ATOM 360 CB VAL A 23 9.948 -2.031 1.983 1.00 0.00 C ATOM 361 CG1 VAL A 23 10.607 -0.796 2.582 1.00 0.00 C ATOM 362 CG2 VAL A 23 9.045 -1.655 0.816 1.00 0.00 C ATOM 0 H VAL A 23 9.408 -4.255 0.927 1.00 0.00 H new ATOM 0 HA VAL A 23 11.721 -2.563 0.872 1.00 0.00 H new ATOM 0 HB VAL A 23 9.329 -2.491 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.839 -0.086 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.201 -1.085 3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.254 -0.332 1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.301 -0.932 1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.645 -1.216 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.542 -2.547 0.443 1.00 0.00 H new ATOM 372 N ALA A 24 11.248 -4.656 3.342 1.00 0.00 N ATOM 373 CA ALA A 24 11.859 -5.252 4.524 1.00 0.00 C ATOM 374 C ALA A 24 13.299 -5.668 4.244 1.00 0.00 C ATOM 375 O ALA A 24 14.159 -5.594 5.122 1.00 0.00 O ATOM 376 CB ALA A 24 11.040 -6.445 4.995 1.00 0.00 C ATOM 0 H ALA A 24 10.417 -5.143 3.006 1.00 0.00 H new ATOM 0 HA ALA A 24 11.874 -4.503 5.316 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.507 -6.881 5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.030 -6.118 5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.996 -7.192 4.202 1.00 0.00 H new ATOM 382 N GLN A 25 13.555 -6.104 3.015 1.00 0.00 N ATOM 383 CA GLN A 25 14.892 -6.531 2.619 1.00 0.00 C ATOM 384 C GLN A 25 15.771 -5.329 2.292 1.00 0.00 C ATOM 385 O GLN A 25 16.957 -5.306 2.620 1.00 0.00 O ATOM 386 CB GLN A 25 14.816 -7.465 1.409 1.00 0.00 C ATOM 387 CG GLN A 25 13.822 -8.602 1.580 1.00 0.00 C ATOM 388 CD GLN A 25 14.118 -9.776 0.667 1.00 0.00 C ATOM 389 OE1 GLN A 25 13.411 -10.008 -0.314 1.00 0.00 O ATOM 390 NE2 GLN A 25 15.167 -10.524 0.986 1.00 0.00 N ATOM 0 H GLN A 25 12.855 -6.171 2.276 1.00 0.00 H new ATOM 0 HA GLN A 25 15.337 -7.069 3.456 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.543 -6.884 0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.805 -7.883 1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 25 13.836 -8.940 2.616 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.816 -8.234 1.378 1.00 0.00 H new ATOM 0 HE21 GLN A 25 15.725 -10.295 1.808 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.415 -11.328 0.409 1.00 0.00 H new ATOM 399 N LEU A 26 15.181 -4.328 1.644 1.00 0.00 N ATOM 400 CA LEU A 26 15.911 -3.122 1.274 1.00 0.00 C ATOM 401 C LEU A 26 16.463 -2.420 2.511 1.00 0.00 C ATOM 402 O LEU A 26 17.676 -2.353 2.708 1.00 0.00 O ATOM 403 CB LEU A 26 15.002 -2.169 0.496 1.00 0.00 C ATOM 404 CG LEU A 26 14.643 -2.625 -0.919 1.00 0.00 C ATOM 405 CD1 LEU A 26 13.829 -1.559 -1.635 1.00 0.00 C ATOM 406 CD2 LEU A 26 15.900 -2.956 -1.708 1.00 0.00 C ATOM 0 H LEU A 26 14.200 -4.329 1.365 1.00 0.00 H new ATOM 0 HA LEU A 26 16.748 -3.414 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.080 -2.029 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.489 -1.196 0.435 1.00 0.00 H new ATOM 0 HG LEU A 26 14.036 -3.527 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.584 -1.902 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.909 -1.370 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.410 -0.639 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.625 -3.279 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.533 -2.071 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.444 -3.756 -1.206 1.00 0.00 H new ATOM 418 N GLU A 27 15.565 -1.899 3.339 1.00 0.00 N ATOM 419 CA GLU A 27 15.961 -1.202 4.557 1.00 0.00 C ATOM 420 C GLU A 27 16.059 -2.173 5.732 1.00 0.00 C ATOM 421 O GLU A 27 15.462 -1.952 6.786 1.00 0.00 O ATOM 422 CB GLU A 27 14.963 -0.088 4.880 1.00 0.00 C ATOM 423 CG GLU A 27 13.528 -0.574 5.005 1.00 0.00 C ATOM 424 CD GLU A 27 12.586 0.509 5.492 1.00 0.00 C ATOM 425 OE1 GLU A 27 12.859 1.698 5.224 1.00 0.00 O ATOM 426 OE2 GLU A 27 11.576 0.169 6.142 1.00 0.00 O ATOM 0 H GLU A 27 14.557 -1.946 3.189 1.00 0.00 H new ATOM 0 HA GLU A 27 16.944 -0.761 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.257 0.393 5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.014 0.671 4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.186 -0.939 4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.493 -1.418 5.694 1.00 0.00 H new ATOM 513 N GLN B 3 -17.680 3.368 4.279 1.00 0.00 N ATOM 514 CA GLN B 3 -16.734 3.657 5.351 1.00 0.00 C ATOM 515 C GLN B 3 -16.136 2.378 5.933 1.00 0.00 C ATOM 516 O GLN B 3 -14.978 2.359 6.346 1.00 0.00 O ATOM 517 CB GLN B 3 -17.413 4.475 6.455 1.00 0.00 C ATOM 518 CG GLN B 3 -18.494 3.719 7.211 1.00 0.00 C ATOM 519 CD GLN B 3 -19.893 4.117 6.783 1.00 0.00 C ATOM 520 OE1 GLN B 3 -20.464 5.076 7.303 1.00 0.00 O ATOM 521 NE2 GLN B 3 -20.454 3.380 5.832 1.00 0.00 N ATOM 0 HA GLN B 3 -15.919 4.241 4.924 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -16.655 4.809 7.163 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -17.852 5.369 6.012 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -18.361 2.649 7.054 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -18.380 3.901 8.280 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -19.944 2.594 5.429 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -21.395 3.600 5.505 1.00 0.00 H new ATOM 530 N ALA B 4 -16.928 1.311 5.967 1.00 0.00 N ATOM 531 CA ALA B 4 -16.463 0.035 6.506 1.00 0.00 C ATOM 532 C ALA B 4 -15.312 -0.533 5.680 1.00 0.00 C ATOM 533 O ALA B 4 -14.488 -1.292 6.188 1.00 0.00 O ATOM 534 CB ALA B 4 -17.609 -0.960 6.578 1.00 0.00 C ATOM 0 H ALA B 4 -17.891 1.303 5.630 1.00 0.00 H new ATOM 0 HA ALA B 4 -16.091 0.215 7.515 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -17.246 -1.905 6.982 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -18.393 -0.566 7.225 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -18.012 -1.123 5.579 1.00 0.00 H new ATOM 540 N LEU B 5 -15.253 -0.150 4.409 1.00 0.00 N ATOM 541 CA LEU B 5 -14.192 -0.610 3.520 1.00 0.00 C ATOM 542 C LEU B 5 -13.274 0.549 3.179 1.00 0.00 C ATOM 543 O LEU B 5 -12.051 0.455 3.273 1.00 0.00 O ATOM 544 CB LEU B 5 -14.787 -1.196 2.240 1.00 0.00 C ATOM 545 CG LEU B 5 -15.071 -2.698 2.272 1.00 0.00 C ATOM 546 CD1 LEU B 5 -15.807 -3.122 1.012 1.00 0.00 C ATOM 547 CD2 LEU B 5 -13.776 -3.485 2.421 1.00 0.00 C ATOM 0 H LEU B 5 -15.927 0.478 3.971 1.00 0.00 H new ATOM 0 HA LEU B 5 -13.620 -1.388 4.026 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -15.718 -0.673 2.020 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -14.104 -0.991 1.416 1.00 0.00 H new ATOM 0 HG LEU B 5 -15.703 -2.912 3.134 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -16.003 -4.194 1.048 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -16.752 -2.583 0.944 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.195 -2.894 0.139 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -13.999 -4.552 2.442 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -13.119 -3.268 1.579 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -13.282 -3.200 3.349 1.00 0.00 H new ATOM 559 N LYS B 6 -13.900 1.648 2.796 1.00 0.00 N ATOM 560 CA LYS B 6 -13.208 2.875 2.443 1.00 0.00 C ATOM 561 C LYS B 6 -12.117 3.199 3.459 1.00 0.00 C ATOM 562 O LYS B 6 -11.015 3.610 3.098 1.00 0.00 O ATOM 563 CB LYS B 6 -14.233 4.009 2.389 1.00 0.00 C ATOM 564 CG LYS B 6 -13.623 5.399 2.293 1.00 0.00 C ATOM 565 CD LYS B 6 -14.400 6.283 1.331 1.00 0.00 C ATOM 566 CE LYS B 6 -15.595 6.932 2.010 1.00 0.00 C ATOM 567 NZ LYS B 6 -15.185 7.781 3.162 1.00 0.00 N ATOM 0 H LYS B 6 -14.915 1.714 2.721 1.00 0.00 H new ATOM 0 HA LYS B 6 -12.728 2.754 1.472 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -14.887 3.852 1.531 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -14.859 3.960 3.280 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -13.608 5.860 3.281 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -12.588 5.321 1.962 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -13.742 7.056 0.934 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -14.741 5.688 0.484 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -16.138 7.540 1.286 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -16.281 6.158 2.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -15.872 8.552 3.287 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -15.153 7.202 4.026 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -14.243 8.183 2.979 1.00 0.00 H new ATOM 581 N LYS B 7 -12.439 3.008 4.732 1.00 0.00 N ATOM 582 CA LYS B 7 -11.498 3.276 5.808 1.00 0.00 C ATOM 583 C LYS B 7 -10.389 2.231 5.834 1.00 0.00 C ATOM 584 O LYS B 7 -9.228 2.550 6.090 1.00 0.00 O ATOM 585 CB LYS B 7 -12.230 3.288 7.149 1.00 0.00 C ATOM 586 CG LYS B 7 -13.209 4.440 7.299 1.00 0.00 C ATOM 587 CD LYS B 7 -14.225 4.168 8.397 1.00 0.00 C ATOM 588 CE LYS B 7 -13.620 4.364 9.778 1.00 0.00 C ATOM 589 NZ LYS B 7 -14.416 5.313 10.604 1.00 0.00 N ATOM 0 H LYS B 7 -13.348 2.667 5.044 1.00 0.00 H new ATOM 0 HA LYS B 7 -11.047 4.253 5.633 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -12.768 2.348 7.268 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -11.496 3.339 7.953 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -12.663 5.356 7.526 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -13.728 4.604 6.354 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -15.080 4.833 8.276 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -14.599 3.148 8.304 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -13.559 3.402 10.287 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -12.601 4.737 9.678 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -13.970 5.419 11.538 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -14.453 6.238 10.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.382 4.945 10.721 1.00 0.00 H new ATOM 603 N ARG B 8 -10.755 0.980 5.577 1.00 0.00 N ATOM 604 CA ARG B 8 -9.790 -0.112 5.578 1.00 0.00 C ATOM 605 C ARG B 8 -8.843 -0.018 4.381 1.00 0.00 C ATOM 606 O ARG B 8 -7.709 -0.494 4.438 1.00 0.00 O ATOM 607 CB ARG B 8 -10.516 -1.466 5.600 1.00 0.00 C ATOM 608 CG ARG B 8 -10.959 -1.975 4.231 1.00 0.00 C ATOM 609 CD ARG B 8 -10.370 -3.345 3.928 1.00 0.00 C ATOM 610 NE ARG B 8 -11.404 -4.369 3.796 1.00 0.00 N ATOM 611 CZ ARG B 8 -12.050 -4.908 4.828 1.00 0.00 C ATOM 612 NH1 ARG B 8 -11.772 -4.522 6.068 1.00 0.00 N ATOM 613 NH2 ARG B 8 -12.975 -5.836 4.621 1.00 0.00 N ATOM 0 H ARG B 8 -11.712 0.698 5.366 1.00 0.00 H new ATOM 0 HA ARG B 8 -9.185 -0.029 6.481 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -9.858 -2.208 6.053 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.393 -1.382 6.242 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.047 -2.030 4.197 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -10.651 -1.267 3.461 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.790 -3.294 3.006 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.680 -3.627 4.723 1.00 0.00 H new ATOM 0 HE ARG B 8 -11.645 -4.690 2.858 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -11.061 -3.810 6.233 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -12.270 -4.938 6.855 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -13.192 -6.137 3.671 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -13.470 -6.249 5.412 1.00 0.00 H new ATOM 627 N VAL B 9 -9.313 0.599 3.298 1.00 0.00 N ATOM 628 CA VAL B 9 -8.499 0.751 2.097 1.00 0.00 C ATOM 629 C VAL B 9 -7.329 1.695 2.348 1.00 0.00 C ATOM 630 O VAL B 9 -6.182 1.369 2.048 1.00 0.00 O ATOM 631 CB VAL B 9 -9.333 1.280 0.909 1.00 0.00 C ATOM 632 CG1 VAL B 9 -8.464 1.461 -0.330 1.00 0.00 C ATOM 633 CG2 VAL B 9 -10.495 0.344 0.616 1.00 0.00 C ATOM 0 H VAL B 9 -10.249 0.999 3.229 1.00 0.00 H new ATOM 0 HA VAL B 9 -8.118 -0.239 1.844 1.00 0.00 H new ATOM 0 HB VAL B 9 -9.735 2.255 1.184 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -9.075 1.834 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -7.669 2.175 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -8.025 0.503 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -11.072 0.732 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -10.111 -0.645 0.366 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -11.136 0.274 1.495 1.00 0.00 H new ATOM 643 N GLN B 10 -7.628 2.869 2.897 1.00 0.00 N ATOM 644 CA GLN B 10 -6.599 3.861 3.185 1.00 0.00 C ATOM 645 C GLN B 10 -5.441 3.239 3.962 1.00 0.00 C ATOM 646 O GLN B 10 -4.301 3.686 3.856 1.00 0.00 O ATOM 647 CB GLN B 10 -7.191 5.033 3.971 1.00 0.00 C ATOM 648 CG GLN B 10 -7.656 4.662 5.371 1.00 0.00 C ATOM 649 CD GLN B 10 -7.085 5.578 6.438 1.00 0.00 C ATOM 650 OE1 GLN B 10 -6.731 6.724 6.163 1.00 0.00 O ATOM 651 NE2 GLN B 10 -6.993 5.074 7.663 1.00 0.00 N ATOM 0 H GLN B 10 -8.573 3.156 3.151 1.00 0.00 H new ATOM 0 HA GLN B 10 -6.214 4.232 2.235 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -6.444 5.823 4.044 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -8.034 5.442 3.415 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -8.745 4.699 5.410 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -7.365 3.634 5.586 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -7.299 4.118 7.846 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -6.617 5.643 8.421 1.00 0.00 H new ATOM 660 N ALA B 11 -5.744 2.206 4.742 1.00 0.00 N ATOM 661 CA ALA B 11 -4.729 1.523 5.534 1.00 0.00 C ATOM 662 C ALA B 11 -3.762 0.738 4.651 1.00 0.00 C ATOM 663 O ALA B 11 -2.663 0.388 5.081 1.00 0.00 O ATOM 664 CB ALA B 11 -5.388 0.598 6.548 1.00 0.00 C ATOM 0 H ALA B 11 -6.685 1.824 4.842 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.153 2.282 6.064 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -4.619 0.093 7.134 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.026 1.181 7.212 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -5.991 -0.144 6.025 1.00 0.00 H new ATOM 670 N LEU B 12 -4.176 0.460 3.418 1.00 0.00 N ATOM 671 CA LEU B 12 -3.339 -0.286 2.485 1.00 0.00 C ATOM 672 C LEU B 12 -2.501 0.659 1.629 1.00 0.00 C ATOM 673 O LEU B 12 -1.325 0.402 1.370 1.00 0.00 O ATOM 674 CB LEU B 12 -4.196 -1.175 1.575 1.00 0.00 C ATOM 675 CG LEU B 12 -5.492 -1.706 2.195 1.00 0.00 C ATOM 676 CD1 LEU B 12 -6.523 -1.985 1.113 1.00 0.00 C ATOM 677 CD2 LEU B 12 -5.222 -2.964 3.004 1.00 0.00 C ATOM 0 H LEU B 12 -5.083 0.739 3.043 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.672 -0.916 3.073 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.449 -0.609 0.679 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.593 -2.025 1.256 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.889 -0.943 2.865 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.438 -2.362 1.571 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.741 -1.064 0.572 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.131 -2.729 0.420 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.155 -3.326 3.436 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.802 -3.731 2.354 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.516 -2.738 3.803 1.00 0.00 H new ATOM 689 N LYS B 13 -3.120 1.748 1.184 1.00 0.00 N ATOM 690 CA LYS B 13 -2.438 2.728 0.345 1.00 0.00 C ATOM 691 C LYS B 13 -1.672 3.751 1.180 1.00 0.00 C ATOM 692 O LYS B 13 -0.692 4.331 0.713 1.00 0.00 O ATOM 693 CB LYS B 13 -3.441 3.438 -0.565 1.00 0.00 C ATOM 694 CG LYS B 13 -4.603 4.074 0.183 1.00 0.00 C ATOM 695 CD LYS B 13 -4.412 5.575 0.323 1.00 0.00 C ATOM 696 CE LYS B 13 -5.527 6.354 -0.360 1.00 0.00 C ATOM 697 NZ LYS B 13 -5.036 7.086 -1.561 1.00 0.00 N ATOM 0 H LYS B 13 -4.093 1.974 1.390 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.715 2.190 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.920 4.209 -1.133 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -3.834 2.722 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -5.534 3.871 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -4.693 3.623 1.171 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.378 5.840 1.380 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -3.452 5.861 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -6.323 5.669 -0.652 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.960 7.063 0.346 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.825 7.604 -1.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -4.294 7.758 -1.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.646 6.407 -2.246 1.00 0.00 H new ATOM 711 N ALA B 14 -2.115 3.971 2.416 1.00 0.00 N ATOM 712 CA ALA B 14 -1.452 4.926 3.299 1.00 0.00 C ATOM 713 C ALA B 14 0.033 4.613 3.423 1.00 0.00 C ATOM 714 O ALA B 14 0.883 5.473 3.192 1.00 0.00 O ATOM 715 CB ALA B 14 -2.105 4.929 4.673 1.00 0.00 C ATOM 0 H ALA B 14 -2.924 3.505 2.826 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.558 5.918 2.860 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.596 5.647 5.316 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.154 5.208 4.577 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.033 3.934 5.112 1.00 0.00 H new ATOM 721 N ARG B 15 0.339 3.371 3.784 1.00 0.00 N ATOM 722 CA ARG B 15 1.722 2.939 3.931 1.00 0.00 C ATOM 723 C ARG B 15 2.328 2.610 2.572 1.00 0.00 C ATOM 724 O ARG B 15 3.450 3.014 2.269 1.00 0.00 O ATOM 725 CB ARG B 15 1.801 1.716 4.848 1.00 0.00 C ATOM 726 CG ARG B 15 3.210 1.400 5.321 1.00 0.00 C ATOM 727 CD ARG B 15 3.497 2.025 6.677 1.00 0.00 C ATOM 728 NE ARG B 15 4.923 2.261 6.880 1.00 0.00 N ATOM 729 CZ ARG B 15 5.592 3.277 6.338 1.00 0.00 C ATOM 730 NH1 ARG B 15 4.966 4.151 5.560 1.00 0.00 N ATOM 731 NH2 ARG B 15 6.888 3.418 6.575 1.00 0.00 N ATOM 0 H ARG B 15 -0.353 2.647 3.980 1.00 0.00 H new ATOM 0 HA ARG B 15 2.290 3.755 4.378 1.00 0.00 H new ATOM 0 HB2 ARG B 15 1.164 1.882 5.717 1.00 0.00 H new ATOM 0 HB3 ARG B 15 1.401 0.850 4.320 1.00 0.00 H new ATOM 0 HG2 ARG B 15 3.340 0.320 5.383 1.00 0.00 H new ATOM 0 HG3 ARG B 15 3.931 1.767 4.590 1.00 0.00 H new ATOM 0 HD2 ARG B 15 2.958 2.968 6.763 1.00 0.00 H new ATOM 0 HD3 ARG B 15 3.122 1.371 7.464 1.00 0.00 H new ATOM 0 HE ARG B 15 5.438 1.609 7.472 1.00 0.00 H new ATOM 0 HH11 ARG B 15 3.968 4.046 5.375 1.00 0.00 H new ATOM 0 HH12 ARG B 15 5.482 4.928 5.147 1.00 0.00 H new ATOM 0 HH21 ARG B 15 7.373 2.748 7.172 1.00 0.00 H new ATOM 0 HH22 ARG B 15 7.401 4.196 6.160 1.00 0.00 H new ATOM 745 N ASN B 16 1.574 1.877 1.756 1.00 0.00 N ATOM 746 CA ASN B 16 2.032 1.492 0.425 1.00 0.00 C ATOM 747 C ASN B 16 2.472 2.712 -0.376 1.00 0.00 C ATOM 748 O ASN B 16 3.571 2.738 -0.932 1.00 0.00 O ATOM 749 CB ASN B 16 0.921 0.748 -0.321 1.00 0.00 C ATOM 750 CG ASN B 16 1.322 0.360 -1.732 1.00 0.00 C ATOM 751 OD1 ASN B 16 2.436 0.643 -2.174 1.00 0.00 O ATOM 752 ND2 ASN B 16 0.413 -0.292 -2.447 1.00 0.00 N ATOM 0 H ASN B 16 0.642 1.538 1.994 1.00 0.00 H new ATOM 0 HA ASN B 16 2.891 0.831 0.540 1.00 0.00 H new ATOM 0 HB2 ASN B 16 0.653 -0.150 0.236 1.00 0.00 H new ATOM 0 HB3 ASN B 16 0.031 1.376 -0.360 1.00 0.00 H new ATOM 0 HD21 ASN B 16 0.626 -0.579 -3.402 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -0.498 -0.506 -2.041 1.00 0.00 H new ATOM 759 N TYR B 17 1.612 3.724 -0.430 1.00 0.00 N ATOM 760 CA TYR B 17 1.922 4.946 -1.163 1.00 0.00 C ATOM 761 C TYR B 17 3.259 5.524 -0.706 1.00 0.00 C ATOM 762 O TYR B 17 3.961 6.179 -1.477 1.00 0.00 O ATOM 763 CB TYR B 17 0.812 5.983 -0.972 1.00 0.00 C ATOM 764 CG TYR B 17 1.118 7.322 -1.606 1.00 0.00 C ATOM 765 CD1 TYR B 17 1.550 7.405 -2.923 1.00 0.00 C ATOM 766 CD2 TYR B 17 0.981 8.502 -0.884 1.00 0.00 C ATOM 767 CE1 TYR B 17 1.836 8.626 -3.505 1.00 0.00 C ATOM 768 CE2 TYR B 17 1.264 9.726 -1.459 1.00 0.00 C ATOM 769 CZ TYR B 17 1.692 9.783 -2.769 1.00 0.00 C ATOM 770 OH TYR B 17 1.974 11.000 -3.345 1.00 0.00 O ATOM 0 H TYR B 17 0.698 3.722 0.023 1.00 0.00 H new ATOM 0 HA TYR B 17 1.993 4.697 -2.222 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -0.114 5.594 -1.395 1.00 0.00 H new ATOM 0 HB3 TYR B 17 0.640 6.126 0.095 1.00 0.00 H new ATOM 0 HD1 TYR B 17 1.664 6.501 -3.502 1.00 0.00 H new ATOM 0 HD2 TYR B 17 0.648 8.461 0.143 1.00 0.00 H new ATOM 0 HE1 TYR B 17 2.170 8.673 -4.531 1.00 0.00 H new ATOM 0 HE2 TYR B 17 1.151 10.634 -0.885 1.00 0.00 H new ATOM 0 HH TYR B 17 1.820 11.714 -2.692 1.00 0.00 H new ATOM 780 N ALA B 18 3.605 5.271 0.552 1.00 0.00 N ATOM 781 CA ALA B 18 4.857 5.762 1.113 1.00 0.00 C ATOM 782 C ALA B 18 6.032 4.904 0.661 1.00 0.00 C ATOM 783 O ALA B 18 7.076 5.426 0.270 1.00 0.00 O ATOM 784 CB ALA B 18 4.778 5.798 2.631 1.00 0.00 C ATOM 0 H ALA B 18 3.036 4.729 1.202 1.00 0.00 H new ATOM 0 HA ALA B 18 5.019 6.776 0.747 1.00 0.00 H new ATOM 0 HB1 ALA B 18 5.720 6.167 3.036 1.00 0.00 H new ATOM 0 HB2 ALA B 18 3.968 6.460 2.938 1.00 0.00 H new ATOM 0 HB3 ALA B 18 4.589 4.793 3.009 1.00 0.00 H new ATOM 790 N LEU B 19 5.857 3.587 0.709 1.00 0.00 N ATOM 791 CA LEU B 19 6.915 2.674 0.293 1.00 0.00 C ATOM 792 C LEU B 19 7.210 2.856 -1.188 1.00 0.00 C ATOM 793 O LEU B 19 8.340 3.135 -1.572 1.00 0.00 O ATOM 794 CB LEU B 19 6.537 1.214 0.568 1.00 0.00 C ATOM 795 CG LEU B 19 5.606 0.982 1.761 1.00 0.00 C ATOM 796 CD1 LEU B 19 5.500 -0.503 2.072 1.00 0.00 C ATOM 797 CD2 LEU B 19 6.097 1.748 2.982 1.00 0.00 C ATOM 0 H LEU B 19 5.002 3.132 1.028 1.00 0.00 H new ATOM 0 HA LEU B 19 7.806 2.910 0.875 1.00 0.00 H new ATOM 0 HB2 LEU B 19 6.062 0.807 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.453 0.645 0.729 1.00 0.00 H new ATOM 0 HG LEU B 19 4.615 1.353 1.500 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.834 -0.650 2.923 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.102 -1.029 1.204 1.00 0.00 H new ATOM 0 HD13 LEU B 19 6.488 -0.896 2.312 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.422 1.570 3.819 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.099 1.409 3.246 1.00 0.00 H new ATOM 0 HD23 LEU B 19 6.122 2.814 2.757 1.00 0.00 H new ATOM 809 N LYS B 20 6.180 2.707 -2.018 1.00 0.00 N ATOM 810 CA LYS B 20 6.321 2.860 -3.467 1.00 0.00 C ATOM 811 C LYS B 20 7.189 4.065 -3.825 1.00 0.00 C ATOM 812 O LYS B 20 7.840 4.086 -4.869 1.00 0.00 O ATOM 813 CB LYS B 20 4.942 3.008 -4.113 1.00 0.00 C ATOM 814 CG LYS B 20 4.784 2.214 -5.400 1.00 0.00 C ATOM 815 CD LYS B 20 3.477 2.546 -6.103 1.00 0.00 C ATOM 816 CE LYS B 20 2.811 1.300 -6.664 1.00 0.00 C ATOM 817 NZ LYS B 20 2.288 1.521 -8.040 1.00 0.00 N ATOM 0 H LYS B 20 5.234 2.479 -1.712 1.00 0.00 H new ATOM 0 HA LYS B 20 6.813 1.965 -3.849 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.181 2.687 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS B 20 4.759 4.062 -4.322 1.00 0.00 H new ATOM 0 HG2 LYS B 20 5.621 2.427 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS B 20 4.818 1.148 -5.177 1.00 0.00 H new ATOM 0 HD2 LYS B 20 2.801 3.037 -5.403 1.00 0.00 H new ATOM 0 HD3 LYS B 20 3.667 3.253 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS B 20 3.528 0.479 -6.676 1.00 0.00 H new ATOM 0 HE3 LYS B 20 1.993 0.999 -6.009 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 1.842 0.648 -8.386 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 1.585 2.287 -8.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 3.072 1.783 -8.671 1.00 0.00 H new ATOM 831 N GLN B 21 7.185 5.071 -2.956 1.00 0.00 N ATOM 832 CA GLN B 21 7.963 6.282 -3.184 1.00 0.00 C ATOM 833 C GLN B 21 9.394 6.142 -2.666 1.00 0.00 C ATOM 834 O GLN B 21 10.338 6.618 -3.296 1.00 0.00 O ATOM 835 CB GLN B 21 7.278 7.475 -2.512 1.00 0.00 C ATOM 836 CG GLN B 21 8.055 8.777 -2.634 1.00 0.00 C ATOM 837 CD GLN B 21 7.176 9.945 -3.039 1.00 0.00 C ATOM 838 OE1 GLN B 21 6.129 10.187 -2.438 1.00 0.00 O ATOM 839 NE2 GLN B 21 7.600 10.676 -4.063 1.00 0.00 N ATOM 0 H GLN B 21 6.651 5.071 -2.087 1.00 0.00 H new ATOM 0 HA GLN B 21 8.015 6.447 -4.260 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.290 7.610 -2.952 1.00 0.00 H new ATOM 0 HB3 GLN B 21 7.129 7.249 -1.456 1.00 0.00 H new ATOM 0 HG2 GLN B 21 8.534 9.001 -1.681 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.850 8.654 -3.369 1.00 0.00 H new ATOM 0 HE21 GLN B 21 8.474 10.439 -4.532 1.00 0.00 H new ATOM 0 HE22 GLN B 21 7.051 11.475 -4.381 1.00 0.00 H new ATOM 848 N LYS B 22 9.551 5.503 -1.511 1.00 0.00 N ATOM 849 CA LYS B 22 10.870 5.326 -0.907 1.00 0.00 C ATOM 850 C LYS B 22 11.546 4.030 -1.359 1.00 0.00 C ATOM 851 O LYS B 22 12.764 3.899 -1.259 1.00 0.00 O ATOM 852 CB LYS B 22 10.758 5.343 0.618 1.00 0.00 C ATOM 853 CG LYS B 22 9.865 4.246 1.172 1.00 0.00 C ATOM 854 CD LYS B 22 10.585 3.410 2.219 1.00 0.00 C ATOM 855 CE LYS B 22 10.828 4.201 3.495 1.00 0.00 C ATOM 856 NZ LYS B 22 9.555 4.658 4.119 1.00 0.00 N ATOM 0 H LYS B 22 8.783 5.099 -0.974 1.00 0.00 H new ATOM 0 HA LYS B 22 11.491 6.157 -1.242 1.00 0.00 H new ATOM 0 HB2 LYS B 22 11.754 5.242 1.049 1.00 0.00 H new ATOM 0 HB3 LYS B 22 10.370 6.311 0.935 1.00 0.00 H new ATOM 0 HG2 LYS B 22 8.973 4.691 1.612 1.00 0.00 H new ATOM 0 HG3 LYS B 22 9.532 3.602 0.358 1.00 0.00 H new ATOM 0 HD2 LYS B 22 9.994 2.523 2.447 1.00 0.00 H new ATOM 0 HD3 LYS B 22 11.537 3.064 1.817 1.00 0.00 H new ATOM 0 HE2 LYS B 22 11.379 3.584 4.205 1.00 0.00 H new ATOM 0 HE3 LYS B 22 11.453 5.065 3.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 9.728 4.916 5.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 9.194 5.486 3.604 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 8.853 3.891 4.078 1.00 0.00 H new ATOM 870 N VAL B 23 10.755 3.073 -1.844 1.00 0.00 N ATOM 871 CA VAL B 23 11.286 1.785 -2.296 1.00 0.00 C ATOM 872 C VAL B 23 12.576 1.964 -3.096 1.00 0.00 C ATOM 873 O VAL B 23 13.542 1.223 -2.908 1.00 0.00 O ATOM 874 CB VAL B 23 10.256 1.015 -3.152 1.00 0.00 C ATOM 875 CG1 VAL B 23 10.879 -0.239 -3.754 1.00 0.00 C ATOM 876 CG2 VAL B 23 9.033 0.656 -2.320 1.00 0.00 C ATOM 0 H VAL B 23 9.743 3.165 -1.934 1.00 0.00 H new ATOM 0 HA VAL B 23 11.502 1.204 -1.399 1.00 0.00 H new ATOM 0 HB VAL B 23 9.941 1.664 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.134 -0.764 -4.352 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.721 0.041 -4.387 1.00 0.00 H new ATOM 0 HG13 VAL B 23 11.228 -0.892 -2.954 1.00 0.00 H new ATOM 0 HG21 VAL B 23 8.318 0.114 -2.939 1.00 0.00 H new ATOM 0 HG22 VAL B 23 9.335 0.029 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.569 1.567 -1.943 1.00 0.00 H new ATOM 886 N GLN B 24 12.587 2.953 -3.983 1.00 0.00 N ATOM 887 CA GLN B 24 13.762 3.228 -4.801 1.00 0.00 C ATOM 888 C GLN B 24 14.852 3.892 -3.971 1.00 0.00 C ATOM 889 O GLN B 24 16.041 3.660 -4.189 1.00 0.00 O ATOM 890 CB GLN B 24 13.391 4.118 -5.989 1.00 0.00 C ATOM 891 CG GLN B 24 12.793 5.456 -5.586 1.00 0.00 C ATOM 892 CD GLN B 24 12.379 6.293 -6.781 1.00 0.00 C ATOM 893 OE1 GLN B 24 12.924 6.147 -7.876 1.00 0.00 O ATOM 894 NE2 GLN B 24 11.410 7.180 -6.577 1.00 0.00 N ATOM 0 H GLN B 24 11.798 3.576 -4.154 1.00 0.00 H new ATOM 0 HA GLN B 24 14.143 2.279 -5.179 1.00 0.00 H new ATOM 0 HB2 GLN B 24 14.282 4.295 -6.591 1.00 0.00 H new ATOM 0 HB3 GLN B 24 12.679 3.587 -6.621 1.00 0.00 H new ATOM 0 HG2 GLN B 24 11.925 5.285 -4.949 1.00 0.00 H new ATOM 0 HG3 GLN B 24 13.520 6.011 -4.993 1.00 0.00 H new ATOM 0 HE21 GLN B 24 10.986 7.268 -5.654 1.00 0.00 H new ATOM 0 HE22 GLN B 24 11.091 7.772 -7.344 1.00 0.00 H new ATOM 903 N ALA B 25 14.438 4.713 -3.012 1.00 0.00 N ATOM 904 CA ALA B 25 15.377 5.406 -2.140 1.00 0.00 C ATOM 905 C ALA B 25 16.140 4.418 -1.266 1.00 0.00 C ATOM 906 O ALA B 25 17.289 4.660 -0.898 1.00 0.00 O ATOM 907 CB ALA B 25 14.642 6.421 -1.278 1.00 0.00 C ATOM 0 H ALA B 25 13.457 4.914 -2.819 1.00 0.00 H new ATOM 0 HA ALA B 25 16.099 5.932 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA B 25 15.354 6.932 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA B 25 14.145 7.150 -1.918 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.899 5.909 -0.667 1.00 0.00 H new ATOM 913 N LEU B 26 15.495 3.301 -0.941 1.00 0.00 N ATOM 914 CA LEU B 26 16.116 2.273 -0.113 1.00 0.00 C ATOM 915 C LEU B 26 17.191 1.524 -0.893 1.00 0.00 C ATOM 916 O LEU B 26 18.371 1.568 -0.544 1.00 0.00 O ATOM 917 CB LEU B 26 15.059 1.286 0.393 1.00 0.00 C ATOM 918 CG LEU B 26 13.825 1.924 1.028 1.00 0.00 C ATOM 919 CD1 LEU B 26 12.798 0.860 1.384 1.00 0.00 C ATOM 920 CD2 LEU B 26 14.211 2.728 2.261 1.00 0.00 C ATOM 0 H LEU B 26 14.543 3.085 -1.238 1.00 0.00 H new ATOM 0 HA LEU B 26 16.584 2.764 0.740 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.737 0.663 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.523 0.624 1.124 1.00 0.00 H new ATOM 0 HG LEU B 26 13.379 2.604 0.302 1.00 0.00 H new ATOM 0 HD11 LEU B 26 11.926 1.333 1.835 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.496 0.329 0.481 1.00 0.00 H new ATOM 0 HD13 LEU B 26 13.235 0.155 2.091 1.00 0.00 H new ATOM 0 HD21 LEU B 26 13.318 3.174 2.699 1.00 0.00 H new ATOM 0 HD22 LEU B 26 14.683 2.070 2.991 1.00 0.00 H new ATOM 0 HD23 LEU B 26 14.909 3.516 1.978 1.00 0.00 H new ATOM 932 N ARG B 27 16.773 0.832 -1.949 1.00 0.00 N ATOM 933 CA ARG B 27 17.698 0.068 -2.781 1.00 0.00 C ATOM 934 C ARG B 27 18.839 0.943 -3.296 1.00 0.00 C ATOM 935 O ARG B 27 19.913 0.443 -3.624 1.00 0.00 O ATOM 936 CB ARG B 27 16.955 -0.571 -3.958 1.00 0.00 C ATOM 937 CG ARG B 27 16.022 0.371 -4.689 1.00 0.00 C ATOM 938 CD ARG B 27 14.727 -0.329 -5.056 1.00 0.00 C ATOM 939 NE ARG B 27 14.793 -0.960 -6.374 1.00 0.00 N ATOM 940 CZ ARG B 27 14.964 -0.293 -7.514 1.00 0.00 C ATOM 941 NH1 ARG B 27 15.089 1.028 -7.510 1.00 0.00 N ATOM 942 NH2 ARG B 27 15.011 -0.951 -8.664 1.00 0.00 N ATOM 0 H ARG B 27 15.799 0.784 -2.249 1.00 0.00 H new ATOM 0 HA ARG B 27 18.128 -0.718 -2.161 1.00 0.00 H new ATOM 0 HB2 ARG B 27 17.686 -0.962 -4.666 1.00 0.00 H new ATOM 0 HB3 ARG B 27 16.380 -1.422 -3.591 1.00 0.00 H new ATOM 0 HG2 ARG B 27 15.808 1.236 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG B 27 16.508 0.743 -5.591 1.00 0.00 H new ATOM 0 HD2 ARG B 27 14.499 -1.085 -4.304 1.00 0.00 H new ATOM 0 HD3 ARG B 27 13.910 0.392 -5.041 1.00 0.00 H new ATOM 0 HE ARG B 27 14.702 -1.975 -6.423 1.00 0.00 H new ATOM 0 HH11 ARG B 27 15.054 1.541 -6.629 1.00 0.00 H new ATOM 0 HH12 ARG B 27 15.220 1.531 -8.388 1.00 0.00 H new ATOM 0 HH21 ARG B 27 14.916 -1.967 -8.675 1.00 0.00 H new ATOM 0 HH22 ARG B 27 15.142 -0.442 -9.538 1.00 0.00 H new