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+ -174:sc= 0 (180deg=-0.0259) USER MOD Single : A 11 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.048) USER MOD Single : A 16 ASN : amide:sc= -4.05! C(o=-4!,f=-4.7!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.236 K(o=-0.24,f=-2!) USER MOD Single : A 21 GLN : amide:sc= -0.0366 X(o=-0.037,f=0) USER MOD Single : A 25 GLN : amide:sc= -2.93! C(o=-2.9!,f=-7.5!) USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.059) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -3.65! C(o=-3.7!,f=-9.9!) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ -154:sc= -2.03 (180deg=-3.56!) 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 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 5 -15.117 0.807 -3.520 1.00 0.00 N ATOM 66 CA LEU A 5 -14.500 0.740 -2.199 1.00 0.00 C ATOM 67 C LEU A 5 -14.037 -0.678 -1.881 1.00 0.00 C ATOM 68 O LEU A 5 -13.041 -0.874 -1.185 1.00 0.00 O ATOM 69 CB LEU A 5 -15.483 1.219 -1.131 1.00 0.00 C ATOM 70 CG LEU A 5 -16.242 2.501 -1.476 1.00 0.00 C ATOM 71 CD1 LEU A 5 -17.485 2.636 -0.610 1.00 0.00 C ATOM 72 CD2 LEU A 5 -15.339 3.713 -1.311 1.00 0.00 C ATOM 0 HA LEU A 5 -13.627 1.393 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.207 0.426 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.937 1.378 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.557 2.446 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.012 3.554 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -18.140 1.781 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.195 2.669 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.894 4.617 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.994 3.772 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.480 3.620 -1.976 1.00 0.00 H new ATOM 84 N GLU A 6 -14.767 -1.664 -2.392 1.00 0.00 N ATOM 85 CA GLU A 6 -14.429 -3.064 -2.158 1.00 0.00 C ATOM 86 C GLU A 6 -13.206 -3.475 -2.973 1.00 0.00 C ATOM 87 O GLU A 6 -12.210 -3.944 -2.422 1.00 0.00 O ATOM 88 CB GLU A 6 -15.616 -3.962 -2.510 1.00 0.00 C ATOM 89 CG GLU A 6 -16.930 -3.498 -1.903 1.00 0.00 C ATOM 90 CD GLU A 6 -18.137 -4.014 -2.663 1.00 0.00 C ATOM 91 OE1 GLU A 6 -18.034 -4.186 -3.895 1.00 0.00 O ATOM 92 OE2 GLU A 6 -19.185 -4.246 -2.024 1.00 0.00 O ATOM 0 H GLU A 6 -15.595 -1.520 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.193 -3.182 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.721 -4.004 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.407 -4.977 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.986 -3.834 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.954 -2.408 -1.887 1.00 0.00 H new ATOM 99 N LYS A 7 -13.289 -3.294 -4.288 1.00 0.00 N ATOM 100 CA LYS A 7 -12.187 -3.645 -5.176 1.00 0.00 C ATOM 101 C LYS A 7 -10.945 -2.822 -4.857 1.00 0.00 C ATOM 102 O LYS A 7 -9.818 -3.273 -5.065 1.00 0.00 O ATOM 103 CB LYS A 7 -12.593 -3.433 -6.636 1.00 0.00 C ATOM 104 CG LYS A 7 -13.935 -4.052 -6.989 1.00 0.00 C ATOM 105 CD LYS A 7 -14.032 -4.363 -8.474 1.00 0.00 C ATOM 106 CE LYS A 7 -14.095 -3.092 -9.306 1.00 0.00 C ATOM 107 NZ LYS A 7 -15.424 -2.426 -9.206 1.00 0.00 N ATOM 0 H LYS A 7 -14.106 -2.907 -4.761 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.951 -4.698 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.630 -2.363 -6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.825 -3.857 -7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.077 -4.967 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.737 -3.370 -6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.171 -4.957 -8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.919 -4.967 -8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.318 -2.403 -8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.886 -3.330 -10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.460 -1.622 -9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.172 -3.106 -9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.569 -2.084 -8.235 1.00 0.00 H new ATOM 121 N GLU A 8 -11.156 -1.612 -4.348 1.00 0.00 N ATOM 122 CA GLU A 8 -10.050 -0.730 -3.998 1.00 0.00 C ATOM 123 C GLU A 8 -9.133 -1.386 -2.971 1.00 0.00 C ATOM 124 O GLU A 8 -7.947 -1.062 -2.887 1.00 0.00 O ATOM 125 CB GLU A 8 -10.582 0.595 -3.455 1.00 0.00 C ATOM 126 CG GLU A 8 -9.550 1.711 -3.456 1.00 0.00 C ATOM 127 CD GLU A 8 -10.139 3.051 -3.062 1.00 0.00 C ATOM 128 OE1 GLU A 8 -11.377 3.200 -3.136 1.00 0.00 O ATOM 129 OE2 GLU A 8 -9.364 3.952 -2.680 1.00 0.00 O ATOM 0 H GLU A 8 -12.081 -1.221 -4.169 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.471 -0.538 -4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.440 0.904 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.940 0.443 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.744 1.456 -2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.108 1.791 -4.449 1.00 0.00 H new ATOM 136 N VAL A 9 -9.686 -2.314 -2.194 1.00 0.00 N ATOM 137 CA VAL A 9 -8.914 -3.017 -1.177 1.00 0.00 C ATOM 138 C VAL A 9 -7.991 -4.049 -1.816 1.00 0.00 C ATOM 139 O VAL A 9 -6.770 -3.967 -1.687 1.00 0.00 O ATOM 140 CB VAL A 9 -9.833 -3.717 -0.156 1.00 0.00 C ATOM 141 CG1 VAL A 9 -9.016 -4.502 0.861 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.724 -2.700 0.540 1.00 0.00 C ATOM 0 H VAL A 9 -10.665 -2.595 -2.250 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.315 -2.271 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.467 -4.422 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.687 -4.987 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.424 -5.259 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.351 -3.823 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.367 -3.210 1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.105 -1.971 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.340 -2.189 -0.200 1.00 0.00 H new ATOM 152 N ALA A 10 -8.582 -5.018 -2.510 1.00 0.00 N ATOM 153 CA ALA A 10 -7.810 -6.062 -3.174 1.00 0.00 C ATOM 154 C ALA A 10 -6.728 -5.458 -4.063 1.00 0.00 C ATOM 155 O ALA A 10 -5.700 -6.084 -4.321 1.00 0.00 O ATOM 156 CB ALA A 10 -8.728 -6.959 -3.990 1.00 0.00 C ATOM 0 H ALA A 10 -9.592 -5.101 -2.627 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.322 -6.664 -2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.138 -7.734 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.462 -7.424 -3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.243 -6.363 -4.744 1.00 0.00 H new ATOM 162 N GLN A 11 -6.967 -4.233 -4.524 1.00 0.00 N ATOM 163 CA GLN A 11 -6.015 -3.538 -5.379 1.00 0.00 C ATOM 164 C GLN A 11 -4.736 -3.215 -4.611 1.00 0.00 C ATOM 165 O GLN A 11 -3.637 -3.558 -5.047 1.00 0.00 O ATOM 166 CB GLN A 11 -6.641 -2.254 -5.930 1.00 0.00 C ATOM 167 CG GLN A 11 -5.683 -1.411 -6.757 1.00 0.00 C ATOM 168 CD GLN A 11 -6.088 -1.327 -8.217 1.00 0.00 C ATOM 169 OE1 GLN A 11 -6.009 -0.266 -8.835 1.00 0.00 O ATOM 170 NE2 GLN A 11 -6.524 -2.451 -8.774 1.00 0.00 N ATOM 0 H GLN A 11 -7.814 -3.703 -4.318 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.759 -4.192 -6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.503 -2.515 -6.544 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.012 -1.655 -5.098 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.636 -0.406 -6.339 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.680 -1.833 -6.686 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.573 -3.308 -8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.810 -2.457 -9.753 1.00 0.00 H new ATOM 179 N LEU A 12 -4.885 -2.554 -3.466 1.00 0.00 N ATOM 180 CA LEU A 12 -3.737 -2.190 -2.642 1.00 0.00 C ATOM 181 C LEU A 12 -3.227 -3.392 -1.856 1.00 0.00 C ATOM 182 O LEU A 12 -2.034 -3.504 -1.582 1.00 0.00 O ATOM 183 CB LEU A 12 -4.103 -1.060 -1.680 1.00 0.00 C ATOM 184 CG LEU A 12 -4.663 0.199 -2.342 1.00 0.00 C ATOM 185 CD1 LEU A 12 -5.300 1.107 -1.301 1.00 0.00 C ATOM 186 CD2 LEU A 12 -3.566 0.937 -3.093 1.00 0.00 C ATOM 0 H LEU A 12 -5.786 -2.261 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.944 -1.847 -3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.838 -1.434 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.215 -0.788 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.430 -0.098 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.694 1.999 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.112 0.577 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.551 1.397 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.982 1.831 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.778 1.223 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.151 0.286 -3.863 1.00 0.00 H new ATOM 198 N GLU A 13 -4.136 -4.289 -1.492 1.00 0.00 N ATOM 199 CA GLU A 13 -3.767 -5.480 -0.736 1.00 0.00 C ATOM 200 C GLU A 13 -2.759 -6.327 -1.509 1.00 0.00 C ATOM 201 O GLU A 13 -1.991 -7.085 -0.918 1.00 0.00 O ATOM 202 CB GLU A 13 -5.010 -6.309 -0.409 1.00 0.00 C ATOM 203 CG GLU A 13 -5.608 -5.994 0.952 1.00 0.00 C ATOM 204 CD GLU A 13 -6.792 -6.881 1.287 1.00 0.00 C ATOM 205 OE1 GLU A 13 -6.915 -7.963 0.676 1.00 0.00 O ATOM 206 OE2 GLU A 13 -7.596 -6.491 2.160 1.00 0.00 O ATOM 0 H GLU A 13 -5.130 -4.215 -1.707 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.301 -5.158 0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.764 -6.137 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.752 -7.367 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.842 -6.112 1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.922 -4.951 0.974 1.00 0.00 H new ATOM 213 N ALA A 14 -2.769 -6.194 -2.832 1.00 0.00 N ATOM 214 CA ALA A 14 -1.855 -6.947 -3.682 1.00 0.00 C ATOM 215 C ALA A 14 -0.554 -6.183 -3.905 1.00 0.00 C ATOM 216 O ALA A 14 0.522 -6.776 -3.971 1.00 0.00 O ATOM 217 CB ALA A 14 -2.517 -7.266 -5.014 1.00 0.00 C ATOM 0 H ALA A 14 -3.400 -5.572 -3.338 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.613 -7.881 -3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.824 -7.829 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.414 -7.860 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.788 -6.338 -5.517 1.00 0.00 H new ATOM 223 N GLU A 15 -0.660 -4.862 -4.023 1.00 0.00 N ATOM 224 CA GLU A 15 0.509 -4.017 -4.240 1.00 0.00 C ATOM 225 C GLU A 15 1.178 -3.661 -2.917 1.00 0.00 C ATOM 226 O GLU A 15 2.378 -3.874 -2.739 1.00 0.00 O ATOM 227 CB GLU A 15 0.111 -2.741 -4.983 1.00 0.00 C ATOM 228 CG GLU A 15 1.269 -2.067 -5.699 1.00 0.00 C ATOM 229 CD GLU A 15 1.793 -2.888 -6.861 1.00 0.00 C ATOM 230 OE1 GLU A 15 0.970 -3.497 -7.576 1.00 0.00 O ATOM 231 OE2 GLU A 15 3.027 -2.922 -7.055 1.00 0.00 O ATOM 0 H GLU A 15 -1.543 -4.355 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 15 1.221 -4.576 -4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.664 -2.981 -5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.325 -2.038 -4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.947 -1.092 -6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.077 -1.891 -4.989 1.00 0.00 H new ATOM 238 N ASN A 16 0.394 -3.116 -1.991 1.00 0.00 N ATOM 239 CA ASN A 16 0.904 -2.726 -0.681 1.00 0.00 C ATOM 240 C ASN A 16 1.711 -3.856 -0.044 1.00 0.00 C ATOM 241 O ASN A 16 2.673 -3.610 0.685 1.00 0.00 O ATOM 242 CB ASN A 16 -0.257 -2.331 0.237 1.00 0.00 C ATOM 243 CG ASN A 16 0.209 -1.915 1.619 1.00 0.00 C ATOM 244 OD1 ASN A 16 1.361 -1.528 1.808 1.00 0.00 O ATOM 245 ND2 ASN A 16 -0.688 -1.995 2.593 1.00 0.00 N ATOM 0 H ASN A 16 -0.601 -2.934 -2.125 1.00 0.00 H new ATOM 0 HA ASN A 16 1.566 -1.870 -0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.812 -1.510 -0.218 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.946 -3.171 0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.433 -1.730 3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.633 -2.322 2.391 1.00 0.00 H new ATOM 252 N TYR A 17 1.314 -5.092 -0.324 1.00 0.00 N ATOM 253 CA TYR A 17 2.000 -6.258 0.221 1.00 0.00 C ATOM 254 C TYR A 17 3.306 -6.524 -0.522 1.00 0.00 C ATOM 255 O TYR A 17 4.299 -6.937 0.077 1.00 0.00 O ATOM 256 CB TYR A 17 1.089 -7.488 0.143 1.00 0.00 C ATOM 257 CG TYR A 17 1.775 -8.783 0.522 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.388 -8.931 1.761 1.00 0.00 C ATOM 259 CD2 TYR A 17 1.809 -9.855 -0.359 1.00 0.00 C ATOM 260 CE1 TYR A 17 3.015 -10.112 2.109 1.00 0.00 C ATOM 261 CE2 TYR A 17 2.435 -11.040 -0.018 1.00 0.00 C ATOM 262 CZ TYR A 17 3.036 -11.162 1.217 1.00 0.00 C ATOM 263 OH TYR A 17 3.660 -12.341 1.560 1.00 0.00 O ATOM 0 H TYR A 17 0.520 -5.313 -0.925 1.00 0.00 H new ATOM 0 HA TYR A 17 2.239 -6.055 1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.232 -7.336 0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.701 -7.577 -0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.374 -8.110 2.462 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.339 -9.762 -1.327 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.486 -10.212 3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.453 -11.865 -0.715 1.00 0.00 H new ATOM 0 HH TYR A 17 3.583 -12.979 0.820 1.00 0.00 H new ATOM 273 N GLN A 18 3.298 -6.291 -1.831 1.00 0.00 N ATOM 274 CA GLN A 18 4.480 -6.512 -2.654 1.00 0.00 C ATOM 275 C GLN A 18 5.653 -5.657 -2.180 1.00 0.00 C ATOM 276 O GLN A 18 6.812 -6.040 -2.333 1.00 0.00 O ATOM 277 CB GLN A 18 4.172 -6.204 -4.120 1.00 0.00 C ATOM 278 CG GLN A 18 5.259 -6.663 -5.079 1.00 0.00 C ATOM 279 CD GLN A 18 4.863 -7.899 -5.862 1.00 0.00 C ATOM 280 OE1 GLN A 18 3.875 -8.561 -5.542 1.00 0.00 O ATOM 281 NE2 GLN A 18 5.635 -8.218 -6.896 1.00 0.00 N ATOM 0 H GLN A 18 2.485 -5.949 -2.344 1.00 0.00 H new ATOM 0 HA GLN A 18 4.761 -7.561 -2.558 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.232 -6.683 -4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.028 -5.130 -4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.489 -5.856 -5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.170 -6.870 -4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.444 -7.641 -7.125 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.418 -9.040 -7.460 1.00 0.00 H new ATOM 290 N LEU A 19 5.344 -4.497 -1.610 1.00 0.00 N ATOM 291 CA LEU A 19 6.375 -3.590 -1.120 1.00 0.00 C ATOM 292 C LEU A 19 6.680 -3.846 0.351 1.00 0.00 C ATOM 293 O LEU A 19 7.830 -4.057 0.726 1.00 0.00 O ATOM 294 CB LEU A 19 5.939 -2.138 -1.312 1.00 0.00 C ATOM 295 CG LEU A 19 5.862 -1.666 -2.765 1.00 0.00 C ATOM 296 CD1 LEU A 19 5.585 -0.172 -2.824 1.00 0.00 C ATOM 297 CD2 LEU A 19 7.151 -1.998 -3.504 1.00 0.00 C ATOM 0 H LEU A 19 4.389 -4.163 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 19 7.282 -3.773 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.960 -2.006 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.634 -1.493 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 19 5.041 -2.190 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.533 0.148 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.637 0.042 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.386 0.367 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.078 -1.655 -4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.989 -1.501 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.311 -3.076 -3.491 1.00 0.00 H new ATOM 309 N GLU A 20 5.644 -3.823 1.183 1.00 0.00 N ATOM 310 CA GLU A 20 5.806 -4.048 2.617 1.00 0.00 C ATOM 311 C GLU A 20 6.671 -5.276 2.894 1.00 0.00 C ATOM 312 O GLU A 20 7.339 -5.356 3.925 1.00 0.00 O ATOM 313 CB GLU A 20 4.439 -4.216 3.282 1.00 0.00 C ATOM 314 CG GLU A 20 4.363 -3.615 4.676 1.00 0.00 C ATOM 315 CD GLU A 20 4.760 -4.599 5.758 1.00 0.00 C ATOM 316 OE1 GLU A 20 4.044 -5.607 5.935 1.00 0.00 O ATOM 317 OE2 GLU A 20 5.786 -4.361 6.430 1.00 0.00 O ATOM 0 H GLU A 20 4.682 -3.651 0.890 1.00 0.00 H new ATOM 0 HA GLU A 20 6.309 -3.177 3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.679 -3.752 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.200 -5.278 3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.014 -2.742 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.347 -3.266 4.862 1.00 0.00 H new ATOM 324 N GLN A 21 6.654 -6.230 1.970 1.00 0.00 N ATOM 325 CA GLN A 21 7.435 -7.453 2.120 1.00 0.00 C ATOM 326 C GLN A 21 8.814 -7.310 1.478 1.00 0.00 C ATOM 327 O GLN A 21 9.759 -7.997 1.864 1.00 0.00 O ATOM 328 CB GLN A 21 6.688 -8.635 1.499 1.00 0.00 C ATOM 329 CG GLN A 21 6.424 -9.767 2.479 1.00 0.00 C ATOM 330 CD GLN A 21 7.543 -10.788 2.506 1.00 0.00 C ATOM 331 OE1 GLN A 21 8.245 -10.930 3.508 1.00 0.00 O ATOM 332 NE2 GLN A 21 7.718 -11.506 1.403 1.00 0.00 N ATOM 0 H GLN A 21 6.108 -6.181 1.110 1.00 0.00 H new ATOM 0 HA GLN A 21 7.574 -7.636 3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.738 -8.284 1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.266 -9.020 0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.291 -9.353 3.479 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.491 -10.263 2.212 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.113 -11.356 0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.457 -12.208 1.363 1.00 0.00 H new ATOM 341 N GLU A 22 8.923 -6.420 0.495 1.00 0.00 N ATOM 342 CA GLU A 22 10.190 -6.200 -0.195 1.00 0.00 C ATOM 343 C GLU A 22 11.012 -5.119 0.502 1.00 0.00 C ATOM 344 O GLU A 22 12.240 -5.190 0.544 1.00 0.00 O ATOM 345 CB GLU A 22 9.939 -5.807 -1.651 1.00 0.00 C ATOM 346 CG GLU A 22 9.642 -6.991 -2.557 1.00 0.00 C ATOM 347 CD GLU A 22 9.695 -6.628 -4.028 1.00 0.00 C ATOM 348 OE1 GLU A 22 9.452 -5.448 -4.358 1.00 0.00 O ATOM 349 OE2 GLU A 22 9.982 -7.523 -4.852 1.00 0.00 O ATOM 0 H GLU A 22 8.152 -5.842 0.160 1.00 0.00 H new ATOM 0 HA GLU A 22 10.755 -7.132 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.102 -5.110 -1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.813 -5.278 -2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.360 -7.786 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.654 -7.387 -2.320 1.00 0.00 H new ATOM 356 N VAL A 23 10.325 -4.121 1.044 1.00 0.00 N ATOM 357 CA VAL A 23 10.985 -3.023 1.737 1.00 0.00 C ATOM 358 C VAL A 23 11.704 -3.515 2.989 1.00 0.00 C ATOM 359 O VAL A 23 12.707 -2.938 3.409 1.00 0.00 O ATOM 360 CB VAL A 23 9.979 -1.926 2.134 1.00 0.00 C ATOM 361 CG1 VAL A 23 10.703 -0.706 2.685 1.00 0.00 C ATOM 362 CG2 VAL A 23 9.104 -1.546 0.946 1.00 0.00 C ATOM 0 H VAL A 23 9.308 -4.050 1.016 1.00 0.00 H new ATOM 0 HA VAL A 23 11.715 -2.604 1.044 1.00 0.00 H new ATOM 0 HB VAL A 23 9.334 -2.320 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.974 0.057 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.278 -0.991 3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.376 -0.308 1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.400 -0.770 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.731 -1.173 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.554 -2.423 0.604 1.00 0.00 H new ATOM 372 N ALA A 24 11.185 -4.586 3.580 1.00 0.00 N ATOM 373 CA ALA A 24 11.776 -5.158 4.784 1.00 0.00 C ATOM 374 C ALA A 24 13.223 -5.577 4.542 1.00 0.00 C ATOM 375 O ALA A 24 14.036 -5.594 5.466 1.00 0.00 O ATOM 376 CB ALA A 24 10.955 -6.345 5.260 1.00 0.00 C ATOM 0 H ALA A 24 10.356 -5.076 3.244 1.00 0.00 H new ATOM 0 HA ALA A 24 11.773 -4.392 5.559 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.407 -6.763 6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.939 -6.019 5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.929 -7.106 4.480 1.00 0.00 H new ATOM 382 N GLN A 25 13.537 -5.917 3.296 1.00 0.00 N ATOM 383 CA GLN A 25 14.886 -6.338 2.937 1.00 0.00 C ATOM 384 C GLN A 25 15.668 -5.190 2.308 1.00 0.00 C ATOM 385 O GLN A 25 16.891 -5.119 2.434 1.00 0.00 O ATOM 386 CB GLN A 25 14.831 -7.524 1.972 1.00 0.00 C ATOM 387 CG GLN A 25 14.352 -8.813 2.620 1.00 0.00 C ATOM 388 CD GLN A 25 12.842 -8.946 2.607 1.00 0.00 C ATOM 389 OE1 GLN A 25 12.142 -8.284 3.373 1.00 0.00 O ATOM 390 NE2 GLN A 25 12.331 -9.807 1.735 1.00 0.00 N ATOM 0 H GLN A 25 12.876 -5.909 2.519 1.00 0.00 H new ATOM 0 HA GLN A 25 15.399 -6.643 3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.169 -7.276 1.142 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.823 -7.686 1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 25 14.792 -9.663 2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 25 14.708 -8.852 3.650 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.948 -10.335 1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.321 -9.940 1.682 1.00 0.00 H new ATOM 399 N LEU A 26 14.957 -4.293 1.631 1.00 0.00 N ATOM 400 CA LEU A 26 15.590 -3.148 0.985 1.00 0.00 C ATOM 401 C LEU A 26 16.386 -2.323 1.991 1.00 0.00 C ATOM 402 O LEU A 26 17.577 -2.077 1.802 1.00 0.00 O ATOM 403 CB LEU A 26 14.533 -2.271 0.312 1.00 0.00 C ATOM 404 CG LEU A 26 13.871 -2.887 -0.921 1.00 0.00 C ATOM 405 CD1 LEU A 26 12.626 -2.103 -1.310 1.00 0.00 C ATOM 406 CD2 LEU A 26 14.855 -2.941 -2.079 1.00 0.00 C ATOM 0 H LEU A 26 13.944 -4.337 1.516 1.00 0.00 H new ATOM 0 HA LEU A 26 16.279 -3.524 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.759 -2.036 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.996 -1.327 0.024 1.00 0.00 H new ATOM 0 HG LEU A 26 13.569 -3.906 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.170 -2.557 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.915 -2.117 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.901 -1.072 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.369 -3.382 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.187 -1.932 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.715 -3.548 -1.797 1.00 0.00 H new ATOM 418 N GLU A 27 15.720 -1.899 3.060 1.00 0.00 N ATOM 419 CA GLU A 27 16.366 -1.103 4.096 1.00 0.00 C ATOM 420 C GLU A 27 16.963 -1.998 5.179 1.00 0.00 C ATOM 421 O GLU A 27 16.618 -1.883 6.355 1.00 0.00 O ATOM 422 CB GLU A 27 15.362 -0.127 4.717 1.00 0.00 C ATOM 423 CG GLU A 27 14.126 -0.806 5.283 1.00 0.00 C ATOM 424 CD GLU A 27 13.320 0.109 6.185 1.00 0.00 C ATOM 425 OE1 GLU A 27 12.844 1.155 5.695 1.00 0.00 O ATOM 426 OE2 GLU A 27 13.166 -0.220 7.380 1.00 0.00 O ATOM 0 H GLU A 27 14.733 -2.094 3.231 1.00 0.00 H new ATOM 0 HA GLU A 27 17.175 -0.537 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.855 0.432 5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.055 0.596 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.496 -1.148 4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.427 -1.691 5.844 1.00 0.00 H new ATOM 513 N GLN B 3 -18.294 2.433 4.291 1.00 0.00 N ATOM 514 CA GLN B 3 -17.276 2.903 5.226 1.00 0.00 C ATOM 515 C GLN B 3 -16.427 1.750 5.752 1.00 0.00 C ATOM 516 O GLN B 3 -15.205 1.859 5.848 1.00 0.00 O ATOM 517 CB GLN B 3 -17.930 3.640 6.396 1.00 0.00 C ATOM 518 CG GLN B 3 -18.369 5.054 6.055 1.00 0.00 C ATOM 519 CD GLN B 3 -18.616 5.900 7.289 1.00 0.00 C ATOM 520 OE1 GLN B 3 -19.208 5.439 8.265 1.00 0.00 O ATOM 521 NE2 GLN B 3 -18.160 7.148 7.251 1.00 0.00 N ATOM 0 HA GLN B 3 -16.622 3.588 4.686 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -18.796 3.071 6.734 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -17.228 3.677 7.229 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -17.605 5.529 5.440 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -19.280 5.014 5.458 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -17.675 7.489 6.421 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -18.295 7.765 8.052 1.00 0.00 H new ATOM 530 N ALA B 4 -17.082 0.650 6.102 1.00 0.00 N ATOM 531 CA ALA B 4 -16.382 -0.517 6.633 1.00 0.00 C ATOM 532 C ALA B 4 -15.257 -0.972 5.708 1.00 0.00 C ATOM 533 O ALA B 4 -14.271 -1.553 6.160 1.00 0.00 O ATOM 534 CB ALA B 4 -17.358 -1.656 6.877 1.00 0.00 C ATOM 0 H ALA B 4 -18.093 0.540 6.029 1.00 0.00 H new ATOM 0 HA ALA B 4 -15.932 -0.225 7.582 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -16.820 -2.518 7.272 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -18.114 -1.339 7.595 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -17.841 -1.929 5.939 1.00 0.00 H new ATOM 540 N LEU B 5 -15.402 -0.699 4.416 1.00 0.00 N ATOM 541 CA LEU B 5 -14.383 -1.078 3.442 1.00 0.00 C ATOM 542 C LEU B 5 -13.683 0.162 2.911 1.00 0.00 C ATOM 543 O LEU B 5 -12.457 0.223 2.824 1.00 0.00 O ATOM 544 CB LEU B 5 -15.013 -1.854 2.286 1.00 0.00 C ATOM 545 CG LEU B 5 -15.057 -3.372 2.467 1.00 0.00 C ATOM 546 CD1 LEU B 5 -15.829 -4.020 1.328 1.00 0.00 C ATOM 547 CD2 LEU B 5 -13.648 -3.942 2.552 1.00 0.00 C ATOM 0 H LEU B 5 -16.210 -0.219 4.020 1.00 0.00 H new ATOM 0 HA LEU B 5 -13.651 -1.717 3.936 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -16.031 -1.492 2.139 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -14.460 -1.629 1.374 1.00 0.00 H new ATOM 0 HG LEU B 5 -15.572 -3.593 3.402 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -15.851 -5.100 1.472 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -16.849 -3.635 1.314 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.341 -3.790 0.381 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -13.700 -5.023 2.681 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -13.106 -3.711 1.635 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -13.127 -3.500 3.402 1.00 0.00 H new ATOM 559 N LYS B 6 -14.494 1.147 2.570 1.00 0.00 N ATOM 560 CA LYS B 6 -14.023 2.419 2.052 1.00 0.00 C ATOM 561 C LYS B 6 -12.887 2.979 2.907 1.00 0.00 C ATOM 562 O LYS B 6 -11.928 3.551 2.387 1.00 0.00 O ATOM 563 CB LYS B 6 -15.200 3.396 2.034 1.00 0.00 C ATOM 564 CG LYS B 6 -14.807 4.847 1.814 1.00 0.00 C ATOM 565 CD LYS B 6 -15.955 5.655 1.230 1.00 0.00 C ATOM 566 CE LYS B 6 -16.816 6.271 2.321 1.00 0.00 C ATOM 567 NZ LYS B 6 -17.227 7.661 1.986 1.00 0.00 N ATOM 0 H LYS B 6 -15.509 1.086 2.646 1.00 0.00 H new ATOM 0 HA LYS B 6 -13.633 2.275 1.044 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -15.893 3.097 1.248 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -15.737 3.317 2.979 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -14.496 5.288 2.761 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -13.949 4.895 1.143 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -15.558 6.443 0.590 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -16.570 5.012 0.600 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -17.704 5.657 2.473 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -16.264 6.272 3.261 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -17.812 8.045 2.755 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -16.381 8.254 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -17.775 7.657 1.102 1.00 0.00 H new ATOM 581 N LYS B 7 -13.009 2.816 4.220 1.00 0.00 N ATOM 582 CA LYS B 7 -12.001 3.313 5.149 1.00 0.00 C ATOM 583 C LYS B 7 -10.814 2.358 5.245 1.00 0.00 C ATOM 584 O LYS B 7 -9.662 2.790 5.272 1.00 0.00 O ATOM 585 CB LYS B 7 -12.618 3.519 6.533 1.00 0.00 C ATOM 586 CG LYS B 7 -13.388 4.823 6.668 1.00 0.00 C ATOM 587 CD LYS B 7 -14.724 4.616 7.365 1.00 0.00 C ATOM 588 CE LYS B 7 -14.569 4.608 8.876 1.00 0.00 C ATOM 589 NZ LYS B 7 -15.886 4.589 9.570 1.00 0.00 N ATOM 0 H LYS B 7 -13.796 2.344 4.665 1.00 0.00 H new ATOM 0 HA LYS B 7 -11.637 4.268 4.769 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -13.288 2.687 6.751 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -11.826 3.495 7.282 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -12.792 5.542 7.230 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -13.555 5.251 5.680 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -15.414 5.408 7.073 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.164 3.674 7.038 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -13.988 3.736 9.177 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -14.007 5.488 9.188 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -15.736 4.584 10.599 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -16.431 5.434 9.304 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -16.412 3.736 9.293 1.00 0.00 H new ATOM 603 N ARG B 8 -11.099 1.061 5.304 1.00 0.00 N ATOM 604 CA ARG B 8 -10.048 0.053 5.409 1.00 0.00 C ATOM 605 C ARG B 8 -9.009 0.212 4.295 1.00 0.00 C ATOM 606 O ARG B 8 -7.854 -0.182 4.453 1.00 0.00 O ATOM 607 CB ARG B 8 -10.654 -1.357 5.387 1.00 0.00 C ATOM 608 CG ARG B 8 -10.950 -1.897 3.993 1.00 0.00 C ATOM 609 CD ARG B 8 -10.108 -3.124 3.674 1.00 0.00 C ATOM 610 NE ARG B 8 -10.923 -4.333 3.564 1.00 0.00 N ATOM 611 CZ ARG B 8 -11.260 -5.102 4.598 1.00 0.00 C ATOM 612 NH1 ARG B 8 -10.863 -4.791 5.827 1.00 0.00 N ATOM 613 NH2 ARG B 8 -11.999 -6.186 4.404 1.00 0.00 N ATOM 0 H ARG B 8 -12.046 0.683 5.281 1.00 0.00 H new ATOM 0 HA ARG B 8 -9.537 0.199 6.361 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -9.970 -2.041 5.890 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.579 -1.350 5.964 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.007 -2.152 3.918 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -10.756 -1.120 3.253 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.571 -2.962 2.739 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.358 -3.262 4.453 1.00 0.00 H new ATOM 0 HE ARG B 8 -11.254 -4.604 2.638 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -10.296 -3.958 5.984 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -11.125 -5.385 6.613 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -12.309 -6.430 3.463 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -12.257 -6.775 5.195 1.00 0.00 H new ATOM 627 N VAL B 9 -9.428 0.792 3.174 1.00 0.00 N ATOM 628 CA VAL B 9 -8.531 0.999 2.042 1.00 0.00 C ATOM 629 C VAL B 9 -7.357 1.891 2.431 1.00 0.00 C ATOM 630 O VAL B 9 -6.212 1.621 2.065 1.00 0.00 O ATOM 631 CB VAL B 9 -9.271 1.629 0.844 1.00 0.00 C ATOM 632 CG1 VAL B 9 -8.327 1.828 -0.336 1.00 0.00 C ATOM 633 CG2 VAL B 9 -10.458 0.768 0.441 1.00 0.00 C ATOM 0 H VAL B 9 -10.380 1.126 3.026 1.00 0.00 H new ATOM 0 HA VAL B 9 -8.157 0.018 1.749 1.00 0.00 H new ATOM 0 HB VAL B 9 -9.641 2.608 1.149 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -8.873 2.273 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -7.511 2.489 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -7.921 0.864 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -10.969 1.226 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -10.108 -0.225 0.159 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -11.149 0.685 1.280 1.00 0.00 H new ATOM 643 N GLN B 10 -7.646 2.955 3.173 1.00 0.00 N ATOM 644 CA GLN B 10 -6.611 3.888 3.608 1.00 0.00 C ATOM 645 C GLN B 10 -5.504 3.165 4.372 1.00 0.00 C ATOM 646 O GLN B 10 -4.380 3.654 4.458 1.00 0.00 O ATOM 647 CB GLN B 10 -7.219 4.990 4.481 1.00 0.00 C ATOM 648 CG GLN B 10 -7.649 4.514 5.861 1.00 0.00 C ATOM 649 CD GLN B 10 -6.776 5.070 6.969 1.00 0.00 C ATOM 650 OE1 GLN B 10 -6.293 4.330 7.825 1.00 0.00 O ATOM 651 NE2 GLN B 10 -6.570 6.383 6.958 1.00 0.00 N ATOM 0 H GLN B 10 -8.587 3.193 3.486 1.00 0.00 H new ATOM 0 HA GLN B 10 -6.172 4.341 2.719 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -6.491 5.793 4.595 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -8.083 5.412 3.967 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -8.684 4.809 6.037 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -7.618 3.425 5.891 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -6.990 6.959 6.229 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -5.992 6.815 7.679 1.00 0.00 H new ATOM 660 N ALA B 11 -5.829 2.002 4.928 1.00 0.00 N ATOM 661 CA ALA B 11 -4.859 1.221 5.686 1.00 0.00 C ATOM 662 C ALA B 11 -3.946 0.405 4.771 1.00 0.00 C ATOM 663 O ALA B 11 -3.082 -0.332 5.247 1.00 0.00 O ATOM 664 CB ALA B 11 -5.575 0.306 6.667 1.00 0.00 C ATOM 0 H ALA B 11 -6.756 1.580 4.868 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.231 1.920 6.238 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -4.841 -0.272 7.228 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.168 0.906 7.357 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -6.230 -0.372 6.120 1.00 0.00 H new ATOM 670 N LEU B 12 -4.134 0.534 3.459 1.00 0.00 N ATOM 671 CA LEU B 12 -3.317 -0.201 2.498 1.00 0.00 C ATOM 672 C LEU B 12 -2.421 0.750 1.708 1.00 0.00 C ATOM 673 O LEU B 12 -1.213 0.540 1.604 1.00 0.00 O ATOM 674 CB LEU B 12 -4.199 -0.995 1.528 1.00 0.00 C ATOM 675 CG LEU B 12 -5.543 -1.464 2.090 1.00 0.00 C ATOM 676 CD1 LEU B 12 -6.540 -1.688 0.965 1.00 0.00 C ATOM 677 CD2 LEU B 12 -5.366 -2.737 2.904 1.00 0.00 C ATOM 0 H LEU B 12 -4.841 1.138 3.040 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.691 -0.895 3.059 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.388 -0.378 0.649 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.642 -1.869 1.190 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.932 -0.686 2.747 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.490 -2.021 1.382 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.690 -0.756 0.420 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.156 -2.448 0.285 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.332 -3.056 3.296 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.956 -3.521 2.268 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.683 -2.547 3.732 1.00 0.00 H new ATOM 689 N LYS B 13 -3.027 1.790 1.146 1.00 0.00 N ATOM 690 CA LYS B 13 -2.294 2.773 0.353 1.00 0.00 C ATOM 691 C LYS B 13 -1.511 3.738 1.239 1.00 0.00 C ATOM 692 O LYS B 13 -0.502 4.298 0.812 1.00 0.00 O ATOM 693 CB LYS B 13 -3.254 3.554 -0.547 1.00 0.00 C ATOM 694 CG LYS B 13 -4.421 4.181 0.198 1.00 0.00 C ATOM 695 CD LYS B 13 -4.130 5.627 0.560 1.00 0.00 C ATOM 696 CE LYS B 13 -5.247 6.556 0.108 1.00 0.00 C ATOM 697 NZ LYS B 13 -4.829 7.416 -1.032 1.00 0.00 N ATOM 0 H LYS B 13 -4.027 1.975 1.225 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.581 2.230 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.699 4.339 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -3.643 2.885 -1.315 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -5.318 4.132 -0.419 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -4.626 3.611 1.104 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -3.999 5.713 1.639 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -3.191 5.936 0.100 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -6.115 5.965 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.556 7.185 0.943 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.619 8.033 -1.309 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -4.017 8.000 -0.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.559 6.817 -1.838 1.00 0.00 H new ATOM 711 N ALA B 14 -1.976 3.933 2.470 1.00 0.00 N ATOM 712 CA ALA B 14 -1.304 4.836 3.400 1.00 0.00 C ATOM 713 C ALA B 14 0.176 4.496 3.523 1.00 0.00 C ATOM 714 O ALA B 14 1.037 5.365 3.381 1.00 0.00 O ATOM 715 CB ALA B 14 -1.970 4.786 4.766 1.00 0.00 C ATOM 0 H ALA B 14 -2.810 3.481 2.845 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.389 5.848 3.004 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.456 5.465 5.446 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.014 5.086 4.673 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -1.918 3.771 5.159 1.00 0.00 H new ATOM 721 N ARG B 15 0.465 3.227 3.781 1.00 0.00 N ATOM 722 CA ARG B 15 1.840 2.769 3.916 1.00 0.00 C ATOM 723 C ARG B 15 2.457 2.510 2.547 1.00 0.00 C ATOM 724 O ARG B 15 3.570 2.954 2.262 1.00 0.00 O ATOM 725 CB ARG B 15 1.896 1.495 4.762 1.00 0.00 C ATOM 726 CG ARG B 15 3.159 1.374 5.600 1.00 0.00 C ATOM 727 CD ARG B 15 3.142 2.333 6.781 1.00 0.00 C ATOM 728 NE ARG B 15 2.988 1.633 8.053 1.00 0.00 N ATOM 729 CZ ARG B 15 3.101 2.222 9.241 1.00 0.00 C ATOM 730 NH1 ARG B 15 3.365 3.521 9.325 1.00 0.00 N ATOM 731 NH2 ARG B 15 2.948 1.512 10.351 1.00 0.00 N ATOM 0 H ARG B 15 -0.236 2.496 3.901 1.00 0.00 H new ATOM 0 HA ARG B 15 2.412 3.551 4.415 1.00 0.00 H new ATOM 0 HB2 ARG B 15 1.029 1.469 5.422 1.00 0.00 H new ATOM 0 HB3 ARG B 15 1.822 0.629 4.104 1.00 0.00 H new ATOM 0 HG2 ARG B 15 3.259 0.351 5.963 1.00 0.00 H new ATOM 0 HG3 ARG B 15 4.030 1.578 4.978 1.00 0.00 H new ATOM 0 HD2 ARG B 15 4.068 2.908 6.794 1.00 0.00 H new ATOM 0 HD3 ARG B 15 2.326 3.045 6.658 1.00 0.00 H new ATOM 0 HE ARG B 15 2.782 0.634 8.030 1.00 0.00 H new ATOM 0 HH11 ARG B 15 3.482 4.074 8.476 1.00 0.00 H new ATOM 0 HH12 ARG B 15 3.450 3.966 10.239 1.00 0.00 H new ATOM 0 HH21 ARG B 15 2.744 0.514 10.294 1.00 0.00 H new ATOM 0 HH22 ARG B 15 3.035 1.964 11.261 1.00 0.00 H new ATOM 745 N ASN B 16 1.724 1.792 1.701 1.00 0.00 N ATOM 746 CA ASN B 16 2.190 1.468 0.356 1.00 0.00 C ATOM 747 C ASN B 16 2.657 2.721 -0.381 1.00 0.00 C ATOM 748 O ASN B 16 3.737 2.736 -0.971 1.00 0.00 O ATOM 749 CB ASN B 16 1.076 0.777 -0.434 1.00 0.00 C ATOM 750 CG ASN B 16 1.441 0.548 -1.889 1.00 0.00 C ATOM 751 OD1 ASN B 16 2.608 0.636 -2.269 1.00 0.00 O ATOM 752 ND2 ASN B 16 0.441 0.251 -2.711 1.00 0.00 N ATOM 0 H ASN B 16 0.800 1.422 1.925 1.00 0.00 H new ATOM 0 HA ASN B 16 3.039 0.791 0.445 1.00 0.00 H new ATOM 0 HB2 ASN B 16 0.846 -0.181 0.033 1.00 0.00 H new ATOM 0 HB3 ASN B 16 0.171 1.382 -0.382 1.00 0.00 H new ATOM 0 HD21 ASN B 16 0.626 0.086 -3.700 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -0.512 0.188 -2.353 1.00 0.00 H new ATOM 759 N TYR B 17 1.841 3.769 -0.344 1.00 0.00 N ATOM 760 CA TYR B 17 2.179 5.021 -1.011 1.00 0.00 C ATOM 761 C TYR B 17 3.546 5.522 -0.554 1.00 0.00 C ATOM 762 O TYR B 17 4.292 6.120 -1.331 1.00 0.00 O ATOM 763 CB TYR B 17 1.113 6.082 -0.734 1.00 0.00 C ATOM 764 CG TYR B 17 1.440 7.438 -1.323 1.00 0.00 C ATOM 765 CD1 TYR B 17 1.456 7.633 -2.697 1.00 0.00 C ATOM 766 CD2 TYR B 17 1.736 8.518 -0.502 1.00 0.00 C ATOM 767 CE1 TYR B 17 1.758 8.869 -3.239 1.00 0.00 C ATOM 768 CE2 TYR B 17 2.039 9.757 -1.035 1.00 0.00 C ATOM 769 CZ TYR B 17 2.048 9.926 -2.403 1.00 0.00 C ATOM 770 OH TYR B 17 2.349 11.158 -2.937 1.00 0.00 O ATOM 0 H TYR B 17 0.943 3.777 0.140 1.00 0.00 H new ATOM 0 HA TYR B 17 2.217 4.834 -2.084 1.00 0.00 H new ATOM 0 HB2 TYR B 17 0.159 5.741 -1.137 1.00 0.00 H new ATOM 0 HB3 TYR B 17 0.986 6.184 0.344 1.00 0.00 H new ATOM 0 HD1 TYR B 17 1.229 6.806 -3.354 1.00 0.00 H new ATOM 0 HD2 TYR B 17 1.729 8.388 0.570 1.00 0.00 H new ATOM 0 HE1 TYR B 17 1.767 9.005 -4.310 1.00 0.00 H new ATOM 0 HE2 TYR B 17 2.267 10.588 -0.384 1.00 0.00 H new ATOM 0 HH TYR B 17 2.528 11.794 -2.213 1.00 0.00 H new ATOM 780 N ALA B 18 3.868 5.273 0.711 1.00 0.00 N ATOM 781 CA ALA B 18 5.145 5.696 1.271 1.00 0.00 C ATOM 782 C ALA B 18 6.279 4.811 0.770 1.00 0.00 C ATOM 783 O ALA B 18 7.302 5.308 0.300 1.00 0.00 O ATOM 784 CB ALA B 18 5.089 5.681 2.791 1.00 0.00 C ATOM 0 H ALA B 18 3.262 4.780 1.367 1.00 0.00 H new ATOM 0 HA ALA B 18 5.340 6.716 0.940 1.00 0.00 H new ATOM 0 HB1 ALA B 18 6.051 5.999 3.194 1.00 0.00 H new ATOM 0 HB2 ALA B 18 4.309 6.361 3.133 1.00 0.00 H new ATOM 0 HB3 ALA B 18 4.867 4.671 3.137 1.00 0.00 H new ATOM 790 N LEU B 19 6.091 3.497 0.862 1.00 0.00 N ATOM 791 CA LEU B 19 7.107 2.559 0.402 1.00 0.00 C ATOM 792 C LEU B 19 7.340 2.733 -1.092 1.00 0.00 C ATOM 793 O LEU B 19 8.464 2.961 -1.530 1.00 0.00 O ATOM 794 CB LEU B 19 6.705 1.110 0.700 1.00 0.00 C ATOM 795 CG LEU B 19 5.832 0.903 1.941 1.00 0.00 C ATOM 796 CD1 LEU B 19 5.729 -0.576 2.278 1.00 0.00 C ATOM 797 CD2 LEU B 19 6.387 1.684 3.126 1.00 0.00 C ATOM 0 H LEU B 19 5.253 3.062 1.247 1.00 0.00 H new ATOM 0 HA LEU B 19 8.030 2.773 0.942 1.00 0.00 H new ATOM 0 HB2 LEU B 19 6.173 0.715 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.612 0.517 0.814 1.00 0.00 H new ATOM 0 HG LEU B 19 4.832 1.278 1.723 1.00 0.00 H new ATOM 0 HD11 LEU B 19 5.105 -0.705 3.162 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.284 -1.110 1.439 1.00 0.00 H new ATOM 0 HD13 LEU B 19 6.724 -0.974 2.475 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.752 1.523 3.997 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.398 1.342 3.346 1.00 0.00 H new ATOM 0 HD23 LEU B 19 6.408 2.747 2.884 1.00 0.00 H new ATOM 809 N LYS B 20 6.258 2.637 -1.865 1.00 0.00 N ATOM 810 CA LYS B 20 6.321 2.788 -3.319 1.00 0.00 C ATOM 811 C LYS B 20 7.215 3.959 -3.721 1.00 0.00 C ATOM 812 O LYS B 20 7.820 3.951 -4.793 1.00 0.00 O ATOM 813 CB LYS B 20 4.917 2.998 -3.886 1.00 0.00 C ATOM 814 CG LYS B 20 4.683 2.286 -5.207 1.00 0.00 C ATOM 815 CD LYS B 20 3.267 1.742 -5.303 1.00 0.00 C ATOM 816 CE LYS B 20 2.256 2.856 -5.522 1.00 0.00 C ATOM 817 NZ LYS B 20 2.144 3.746 -4.334 1.00 0.00 N ATOM 0 H LYS B 20 5.321 2.454 -1.505 1.00 0.00 H new ATOM 0 HA LYS B 20 6.750 1.874 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.184 2.648 -3.159 1.00 0.00 H new ATOM 0 HB3 LYS B 20 4.745 4.066 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS B 20 4.865 2.976 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS B 20 5.396 1.468 -5.312 1.00 0.00 H new ATOM 0 HD2 LYS B 20 3.206 1.027 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS B 20 3.021 1.201 -4.389 1.00 0.00 H new ATOM 0 HE2 LYS B 20 2.548 3.446 -6.391 1.00 0.00 H new ATOM 0 HE3 LYS B 20 1.281 2.423 -5.744 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 1.202 4.187 -4.318 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 2.280 3.187 -3.467 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 2.872 4.487 -4.385 1.00 0.00 H new ATOM 831 N GLN B 21 7.284 4.964 -2.859 1.00 0.00 N ATOM 832 CA GLN B 21 8.094 6.144 -3.127 1.00 0.00 C ATOM 833 C GLN B 21 9.541 5.950 -2.675 1.00 0.00 C ATOM 834 O GLN B 21 10.473 6.379 -3.353 1.00 0.00 O ATOM 835 CB GLN B 21 7.487 7.362 -2.426 1.00 0.00 C ATOM 836 CG GLN B 21 8.262 8.650 -2.655 1.00 0.00 C ATOM 837 CD GLN B 21 7.728 9.450 -3.826 1.00 0.00 C ATOM 838 OE1 GLN B 21 6.624 9.993 -3.771 1.00 0.00 O ATOM 839 NE2 GLN B 21 8.511 9.526 -4.897 1.00 0.00 N ATOM 0 H GLN B 21 6.789 4.986 -1.968 1.00 0.00 H new ATOM 0 HA GLN B 21 8.101 6.307 -4.205 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.463 7.498 -2.775 1.00 0.00 H new ATOM 0 HB3 GLN B 21 7.435 7.165 -1.355 1.00 0.00 H new ATOM 0 HG2 GLN B 21 8.220 9.261 -1.753 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.311 8.412 -2.830 1.00 0.00 H new ATOM 0 HE21 GLN B 21 9.419 9.060 -4.899 1.00 0.00 H new ATOM 0 HE22 GLN B 21 8.204 10.050 -5.717 1.00 0.00 H new ATOM 848 N LYS B 22 9.722 5.323 -1.517 1.00 0.00 N ATOM 849 CA LYS B 22 11.058 5.099 -0.968 1.00 0.00 C ATOM 850 C LYS B 22 11.668 3.769 -1.416 1.00 0.00 C ATOM 851 O LYS B 22 12.811 3.471 -1.070 1.00 0.00 O ATOM 852 CB LYS B 22 11.011 5.153 0.560 1.00 0.00 C ATOM 853 CG LYS B 22 10.119 4.088 1.174 1.00 0.00 C ATOM 854 CD LYS B 22 10.877 3.223 2.169 1.00 0.00 C ATOM 855 CE LYS B 22 11.198 3.985 3.444 1.00 0.00 C ATOM 856 NZ LYS B 22 10.111 3.860 4.454 1.00 0.00 N ATOM 0 H LYS B 22 8.963 4.961 -0.940 1.00 0.00 H new ATOM 0 HA LYS B 22 11.696 5.894 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS B 22 12.022 5.040 0.951 1.00 0.00 H new ATOM 0 HB3 LYS B 22 10.657 6.136 0.871 1.00 0.00 H new ATOM 0 HG2 LYS B 22 9.276 4.564 1.674 1.00 0.00 H new ATOM 0 HG3 LYS B 22 9.707 3.459 0.385 1.00 0.00 H new ATOM 0 HD2 LYS B 22 10.284 2.341 2.411 1.00 0.00 H new ATOM 0 HD3 LYS B 22 11.802 2.869 1.713 1.00 0.00 H new ATOM 0 HE2 LYS B 22 12.131 3.610 3.866 1.00 0.00 H new ATOM 0 HE3 LYS B 22 11.355 5.038 3.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 10.368 4.394 5.309 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 9.227 4.241 4.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 9.978 2.858 4.699 1.00 0.00 H new ATOM 870 N VAL B 23 10.920 2.964 -2.171 1.00 0.00 N ATOM 871 CA VAL B 23 11.431 1.670 -2.631 1.00 0.00 C ATOM 872 C VAL B 23 12.842 1.803 -3.196 1.00 0.00 C ATOM 873 O VAL B 23 13.797 1.258 -2.643 1.00 0.00 O ATOM 874 CB VAL B 23 10.532 1.033 -3.709 1.00 0.00 C ATOM 875 CG1 VAL B 23 10.976 -0.393 -3.996 1.00 0.00 C ATOM 876 CG2 VAL B 23 9.076 1.061 -3.284 1.00 0.00 C ATOM 0 H VAL B 23 9.970 3.180 -2.475 1.00 0.00 H new ATOM 0 HA VAL B 23 11.439 1.023 -1.754 1.00 0.00 H new ATOM 0 HB VAL B 23 10.630 1.618 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.331 -0.828 -4.759 1.00 0.00 H new ATOM 0 HG12 VAL B 23 12.007 -0.389 -4.351 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.909 -0.985 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL B 23 8.461 0.606 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL B 23 8.957 0.504 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.762 2.093 -3.131 1.00 0.00 H new ATOM 886 N GLN B 24 12.964 2.535 -4.299 1.00 0.00 N ATOM 887 CA GLN B 24 14.257 2.742 -4.940 1.00 0.00 C ATOM 888 C GLN B 24 15.219 3.463 -4.002 1.00 0.00 C ATOM 889 O GLN B 24 16.400 3.127 -3.930 1.00 0.00 O ATOM 890 CB GLN B 24 14.092 3.543 -6.233 1.00 0.00 C ATOM 891 CG GLN B 24 12.909 3.099 -7.078 1.00 0.00 C ATOM 892 CD GLN B 24 13.146 3.302 -8.562 1.00 0.00 C ATOM 893 OE1 GLN B 24 14.042 2.695 -9.149 1.00 0.00 O ATOM 894 NE2 GLN B 24 12.340 4.159 -9.178 1.00 0.00 N ATOM 0 H GLN B 24 12.183 2.995 -4.767 1.00 0.00 H new ATOM 0 HA GLN B 24 14.674 1.764 -5.180 1.00 0.00 H new ATOM 0 HB2 GLN B 24 13.975 4.598 -5.984 1.00 0.00 H new ATOM 0 HB3 GLN B 24 15.003 3.454 -6.824 1.00 0.00 H new ATOM 0 HG2 GLN B 24 12.705 2.045 -6.887 1.00 0.00 H new ATOM 0 HG3 GLN B 24 12.022 3.655 -6.776 1.00 0.00 H new ATOM 0 HE21 GLN B 24 11.610 4.641 -8.653 1.00 0.00 H new ATOM 0 HE22 GLN B 24 12.451 4.336 -10.176 1.00 0.00 H new ATOM 903 N ALA B 25 14.705 4.458 -3.284 1.00 0.00 N ATOM 904 CA ALA B 25 15.518 5.230 -2.349 1.00 0.00 C ATOM 905 C ALA B 25 16.236 4.318 -1.359 1.00 0.00 C ATOM 906 O ALA B 25 17.317 4.647 -0.870 1.00 0.00 O ATOM 907 CB ALA B 25 14.653 6.238 -1.607 1.00 0.00 C ATOM 0 H ALA B 25 13.728 4.749 -3.332 1.00 0.00 H new ATOM 0 HA ALA B 25 16.274 5.766 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA B 25 15.272 6.807 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA B 25 14.191 6.918 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.876 5.712 -1.053 1.00 0.00 H new ATOM 913 N LEU B 26 15.631 3.172 -1.071 1.00 0.00 N ATOM 914 CA LEU B 26 16.214 2.212 -0.140 1.00 0.00 C ATOM 915 C LEU B 26 17.339 1.426 -0.805 1.00 0.00 C ATOM 916 O LEU B 26 18.497 1.517 -0.397 1.00 0.00 O ATOM 917 CB LEU B 26 15.140 1.255 0.378 1.00 0.00 C ATOM 918 CG LEU B 26 14.133 1.873 1.349 1.00 0.00 C ATOM 919 CD1 LEU B 26 13.181 0.811 1.877 1.00 0.00 C ATOM 920 CD2 LEU B 26 14.853 2.564 2.497 1.00 0.00 C ATOM 0 H LEU B 26 14.737 2.884 -1.468 1.00 0.00 H new ATOM 0 HA LEU B 26 16.631 2.765 0.702 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.596 0.848 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.631 0.417 0.873 1.00 0.00 H new ATOM 0 HG LEU B 26 13.550 2.620 0.811 1.00 0.00 H new ATOM 0 HD11 LEU B 26 12.472 1.269 2.566 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.640 0.361 1.045 1.00 0.00 H new ATOM 0 HD13 LEU B 26 13.749 0.041 2.399 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.120 2.998 3.178 1.00 0.00 H new ATOM 0 HD22 LEU B 26 15.462 1.837 3.035 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.493 3.353 2.103 1.00 0.00 H new ATOM 932 N ARG B 27 16.993 0.652 -1.830 1.00 0.00 N ATOM 933 CA ARG B 27 17.977 -0.150 -2.550 1.00 0.00 C ATOM 934 C ARG B 27 19.113 0.719 -3.084 1.00 0.00 C ATOM 935 O ARG B 27 20.234 0.245 -3.272 1.00 0.00 O ATOM 936 CB ARG B 27 17.317 -0.911 -3.703 1.00 0.00 C ATOM 937 CG ARG B 27 16.332 -0.078 -4.511 1.00 0.00 C ATOM 938 CD ARG B 27 14.994 -0.786 -4.660 1.00 0.00 C ATOM 939 NE ARG B 27 14.311 -0.421 -5.898 1.00 0.00 N ATOM 940 CZ ARG B 27 14.607 -0.936 -7.089 1.00 0.00 C ATOM 941 NH1 ARG B 27 15.577 -1.836 -7.208 1.00 0.00 N ATOM 942 NH2 ARG B 27 13.931 -0.554 -8.164 1.00 0.00 N ATOM 0 H ARG B 27 16.039 0.563 -2.180 1.00 0.00 H new ATOM 0 HA ARG B 27 18.395 -0.869 -1.845 1.00 0.00 H new ATOM 0 HB2 ARG B 27 18.094 -1.285 -4.370 1.00 0.00 H new ATOM 0 HB3 ARG B 27 16.797 -1.780 -3.301 1.00 0.00 H new ATOM 0 HG2 ARG B 27 16.183 0.885 -4.023 1.00 0.00 H new ATOM 0 HG3 ARG B 27 16.749 0.125 -5.497 1.00 0.00 H new ATOM 0 HD2 ARG B 27 15.151 -1.864 -4.638 1.00 0.00 H new ATOM 0 HD3 ARG B 27 14.358 -0.539 -3.810 1.00 0.00 H new ATOM 0 HE ARG B 27 13.562 0.270 -5.847 1.00 0.00 H new ATOM 0 HH11 ARG B 27 16.099 -2.135 -6.384 1.00 0.00 H new ATOM 0 HH12 ARG B 27 15.800 -2.228 -8.123 1.00 0.00 H new ATOM 0 HH21 ARG B 27 13.184 0.135 -8.078 1.00 0.00 H new ATOM 0 HH22 ARG B 27 14.158 -0.949 -9.076 1.00 0.00 H new