USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=5 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 13 LYS NZ :NH3+ 162:sc= -1.85 (180deg=-1.96!) USER MOD Set 1.2: B 16 ASN : amide:sc= -13.3! C(o=-15!,f=-17!) USER MOD Set 2.1: A 17 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.5!) USER MOD Single : A 16 ASN : amide:sc= -3.83 K(o=-3.8,f=-6.2!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0421) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 GLN : amide:sc= -0.0494 K(o=-0.049,f=-0.95) 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=-0.071) USER MOD Single : B 22 LYS NZ :NH3+ 160:sc= -0.234 (180deg=-0.764) USER MOD Single : B 24 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 5 -14.765 0.874 -4.462 1.00 0.00 N ATOM 66 CA LEU A 5 -14.158 0.939 -3.138 1.00 0.00 C ATOM 67 C LEU A 5 -13.764 -0.451 -2.650 1.00 0.00 C ATOM 68 O LEU A 5 -12.768 -0.614 -1.946 1.00 0.00 O ATOM 69 CB LEU A 5 -15.122 1.590 -2.144 1.00 0.00 C ATOM 70 CG LEU A 5 -15.793 2.871 -2.641 1.00 0.00 C ATOM 71 CD1 LEU A 5 -16.974 3.234 -1.754 1.00 0.00 C ATOM 72 CD2 LEU A 5 -14.790 4.014 -2.689 1.00 0.00 C ATOM 0 HA LEU A 5 -13.256 1.547 -3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.897 0.868 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.578 1.815 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.163 2.696 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.439 4.148 -2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.703 2.424 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.627 3.390 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.285 4.918 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.390 4.189 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.976 3.755 -3.366 1.00 0.00 H new ATOM 84 N GLU A 6 -14.551 -1.453 -3.030 1.00 0.00 N ATOM 85 CA GLU A 6 -14.281 -2.830 -2.633 1.00 0.00 C ATOM 86 C GLU A 6 -12.928 -3.289 -3.164 1.00 0.00 C ATOM 87 O GLU A 6 -12.000 -3.538 -2.393 1.00 0.00 O ATOM 88 CB GLU A 6 -15.385 -3.758 -3.140 1.00 0.00 C ATOM 89 CG GLU A 6 -16.693 -3.621 -2.378 1.00 0.00 C ATOM 90 CD GLU A 6 -17.241 -4.956 -1.914 1.00 0.00 C ATOM 91 OE1 GLU A 6 -16.434 -5.838 -1.555 1.00 0.00 O ATOM 92 OE2 GLU A 6 -18.480 -5.120 -1.909 1.00 0.00 O ATOM 0 H GLU A 6 -15.380 -1.337 -3.612 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.259 -2.871 -1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.566 -3.552 -4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.041 -4.790 -3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.539 -2.975 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.430 -3.131 -3.014 1.00 0.00 H new ATOM 99 N LYS A 7 -12.819 -3.396 -4.486 1.00 0.00 N ATOM 100 CA LYS A 7 -11.570 -3.822 -5.117 1.00 0.00 C ATOM 101 C LYS A 7 -10.417 -2.913 -4.711 1.00 0.00 C ATOM 102 O LYS A 7 -9.254 -3.309 -4.778 1.00 0.00 O ATOM 103 CB LYS A 7 -11.704 -3.853 -6.644 1.00 0.00 C ATOM 104 CG LYS A 7 -12.627 -2.786 -7.212 1.00 0.00 C ATOM 105 CD LYS A 7 -12.435 -2.623 -8.711 1.00 0.00 C ATOM 106 CE LYS A 7 -12.614 -1.177 -9.141 1.00 0.00 C ATOM 107 NZ LYS A 7 -14.020 -0.883 -9.532 1.00 0.00 N ATOM 0 H LYS A 7 -13.576 -3.195 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.355 -4.833 -4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.715 -3.735 -7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.073 -4.834 -6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.663 -3.052 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.436 -1.835 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.439 -2.966 -8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.150 -3.253 -9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.319 -0.517 -8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.952 -0.963 -9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.099 0.114 -9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.294 -1.495 -10.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.650 -1.062 -8.724 1.00 0.00 H new ATOM 121 N GLU A 8 -10.740 -1.699 -4.274 1.00 0.00 N ATOM 122 CA GLU A 8 -9.714 -0.759 -3.846 1.00 0.00 C ATOM 123 C GLU A 8 -8.882 -1.364 -2.723 1.00 0.00 C ATOM 124 O GLU A 8 -7.692 -1.082 -2.597 1.00 0.00 O ATOM 125 CB GLU A 8 -10.341 0.555 -3.386 1.00 0.00 C ATOM 126 CG GLU A 8 -9.330 1.678 -3.222 1.00 0.00 C ATOM 127 CD GLU A 8 -9.967 2.977 -2.771 1.00 0.00 C ATOM 128 OE1 GLU A 8 -10.997 2.920 -2.067 1.00 0.00 O ATOM 129 OE2 GLU A 8 -9.435 4.052 -3.122 1.00 0.00 O ATOM 0 H GLU A 8 -11.695 -1.347 -4.208 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.064 -0.551 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.099 0.860 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.851 0.393 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.574 1.378 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.816 1.840 -4.169 1.00 0.00 H new ATOM 136 N VAL A 9 -9.517 -2.216 -1.917 1.00 0.00 N ATOM 137 CA VAL A 9 -8.831 -2.881 -0.818 1.00 0.00 C ATOM 138 C VAL A 9 -8.011 -4.050 -1.349 1.00 0.00 C ATOM 139 O VAL A 9 -6.828 -4.183 -1.033 1.00 0.00 O ATOM 140 CB VAL A 9 -9.823 -3.379 0.257 1.00 0.00 C ATOM 141 CG1 VAL A 9 -9.190 -4.451 1.138 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.310 -2.214 1.103 1.00 0.00 C ATOM 0 H VAL A 9 -10.504 -2.459 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.170 -2.153 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.677 -3.826 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.912 -4.782 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.891 -5.299 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.313 -4.040 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.008 -2.578 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.460 -1.741 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.812 -1.486 0.465 1.00 0.00 H new ATOM 152 N ALA A 10 -8.638 -4.883 -2.180 1.00 0.00 N ATOM 153 CA ALA A 10 -7.948 -6.022 -2.775 1.00 0.00 C ATOM 154 C ALA A 10 -6.622 -5.564 -3.367 1.00 0.00 C ATOM 155 O ALA A 10 -5.643 -6.309 -3.396 1.00 0.00 O ATOM 156 CB ALA A 10 -8.815 -6.675 -3.840 1.00 0.00 C ATOM 0 H ALA A 10 -9.616 -4.790 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.752 -6.764 -2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.283 -7.523 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.745 -7.021 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.039 -5.950 -4.622 1.00 0.00 H new ATOM 162 N GLN A 11 -6.604 -4.310 -3.813 1.00 0.00 N ATOM 163 CA GLN A 11 -5.409 -3.709 -4.379 1.00 0.00 C ATOM 164 C GLN A 11 -4.336 -3.595 -3.299 1.00 0.00 C ATOM 165 O GLN A 11 -3.373 -4.355 -3.289 1.00 0.00 O ATOM 166 CB GLN A 11 -5.751 -2.328 -4.952 1.00 0.00 C ATOM 167 CG GLN A 11 -4.536 -1.481 -5.304 1.00 0.00 C ATOM 168 CD GLN A 11 -3.797 -2.001 -6.522 1.00 0.00 C ATOM 169 OE1 GLN A 11 -2.663 -2.470 -6.421 1.00 0.00 O ATOM 170 NE2 GLN A 11 -4.437 -1.920 -7.682 1.00 0.00 N ATOM 0 H GLN A 11 -7.413 -3.690 -3.791 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.027 -4.335 -5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.360 -2.459 -5.846 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.360 -1.787 -4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.854 -0.455 -5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.855 -1.457 -4.453 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.376 -1.524 -7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.990 -2.254 -8.536 1.00 0.00 H new ATOM 179 N LEU A 12 -4.527 -2.643 -2.386 1.00 0.00 N ATOM 180 CA LEU A 12 -3.602 -2.409 -1.275 1.00 0.00 C ATOM 181 C LEU A 12 -3.058 -3.725 -0.716 1.00 0.00 C ATOM 182 O LEU A 12 -1.859 -3.972 -0.729 1.00 0.00 O ATOM 183 CB LEU A 12 -4.326 -1.669 -0.155 1.00 0.00 C ATOM 184 CG LEU A 12 -5.483 -0.778 -0.605 1.00 0.00 C ATOM 185 CD1 LEU A 12 -6.050 -0.004 0.564 1.00 0.00 C ATOM 186 CD2 LEU A 12 -5.036 0.157 -1.719 1.00 0.00 C ATOM 0 H LEU A 12 -5.328 -2.011 -2.395 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.769 -1.816 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.708 -2.402 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.602 -1.054 0.380 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.275 -1.415 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.872 0.624 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.416 -0.701 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.271 0.624 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.873 0.783 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.223 0.788 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.691 -0.430 -2.570 1.00 0.00 H new ATOM 198 N GLU A 13 -3.959 -4.562 -0.209 1.00 0.00 N ATOM 199 CA GLU A 13 -3.574 -5.847 0.370 1.00 0.00 C ATOM 200 C GLU A 13 -2.713 -6.656 -0.596 1.00 0.00 C ATOM 201 O GLU A 13 -1.864 -7.442 -0.175 1.00 0.00 O ATOM 202 CB GLU A 13 -4.818 -6.651 0.759 1.00 0.00 C ATOM 203 CG GLU A 13 -5.752 -5.911 1.702 1.00 0.00 C ATOM 204 CD GLU A 13 -7.131 -6.538 1.766 1.00 0.00 C ATOM 205 OE1 GLU A 13 -7.605 -7.035 0.724 1.00 0.00 O ATOM 206 OE2 GLU A 13 -7.737 -6.529 2.859 1.00 0.00 O ATOM 0 H GLU A 13 -4.961 -4.374 -0.187 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.984 -5.645 1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.365 -6.918 -0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.505 -7.583 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.317 -5.896 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.843 -4.874 1.378 1.00 0.00 H new ATOM 213 N ALA A 14 -2.934 -6.459 -1.891 1.00 0.00 N ATOM 214 CA ALA A 14 -2.175 -7.171 -2.913 1.00 0.00 C ATOM 215 C ALA A 14 -0.901 -6.416 -3.279 1.00 0.00 C ATOM 216 O ALA A 14 0.139 -7.022 -3.539 1.00 0.00 O ATOM 217 CB ALA A 14 -3.035 -7.390 -4.149 1.00 0.00 C ATOM 0 H ALA A 14 -3.632 -5.812 -2.258 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.886 -8.140 -2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.457 -7.922 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.913 -7.979 -3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.352 -6.426 -4.547 1.00 0.00 H new ATOM 223 N GLU A 15 -0.992 -5.091 -3.299 1.00 0.00 N ATOM 224 CA GLU A 15 0.148 -4.248 -3.633 1.00 0.00 C ATOM 225 C GLU A 15 0.940 -3.885 -2.380 1.00 0.00 C ATOM 226 O GLU A 15 2.147 -4.119 -2.312 1.00 0.00 O ATOM 227 CB GLU A 15 -0.324 -2.983 -4.350 1.00 0.00 C ATOM 228 CG GLU A 15 0.784 -2.256 -5.096 1.00 0.00 C ATOM 229 CD GLU A 15 1.104 -2.897 -6.432 1.00 0.00 C ATOM 230 OE1 GLU A 15 0.224 -3.591 -6.984 1.00 0.00 O ATOM 231 OE2 GLU A 15 2.235 -2.705 -6.927 1.00 0.00 O ATOM 0 H GLU A 15 -1.847 -4.577 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 15 0.805 -4.806 -4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.112 -3.248 -5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.765 -2.304 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.490 -1.219 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.683 -2.241 -4.480 1.00 0.00 H new ATOM 238 N ASN A 16 0.256 -3.328 -1.381 1.00 0.00 N ATOM 239 CA ASN A 16 0.900 -2.952 -0.127 1.00 0.00 C ATOM 240 C ASN A 16 1.771 -4.090 0.401 1.00 0.00 C ATOM 241 O ASN A 16 2.764 -3.856 1.092 1.00 0.00 O ATOM 242 CB ASN A 16 -0.159 -2.581 0.913 1.00 0.00 C ATOM 243 CG ASN A 16 0.453 -2.040 2.189 1.00 0.00 C ATOM 244 OD1 ASN A 16 1.665 -1.834 2.271 1.00 0.00 O ATOM 245 ND2 ASN A 16 -0.382 -1.807 3.193 1.00 0.00 N ATOM 0 H ASN A 16 -0.744 -3.128 -1.418 1.00 0.00 H new ATOM 0 HA ASN A 16 1.539 -2.089 -0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.833 -1.836 0.492 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.760 -3.460 1.145 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.027 -1.443 4.077 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.379 -1.992 3.081 1.00 0.00 H new ATOM 252 N TYR A 17 1.391 -5.320 0.071 1.00 0.00 N ATOM 253 CA TYR A 17 2.134 -6.498 0.508 1.00 0.00 C ATOM 254 C TYR A 17 3.353 -6.734 -0.381 1.00 0.00 C ATOM 255 O TYR A 17 4.451 -6.992 0.111 1.00 0.00 O ATOM 256 CB TYR A 17 1.224 -7.730 0.489 1.00 0.00 C ATOM 257 CG TYR A 17 1.951 -9.033 0.738 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.442 -9.347 1.999 1.00 0.00 C ATOM 259 CD2 TYR A 17 2.148 -9.948 -0.290 1.00 0.00 C ATOM 260 CE1 TYR A 17 3.107 -10.536 2.230 1.00 0.00 C ATOM 261 CE2 TYR A 17 2.811 -11.139 -0.067 1.00 0.00 C ATOM 262 CZ TYR A 17 3.289 -11.428 1.194 1.00 0.00 C ATOM 263 OH TYR A 17 3.950 -12.613 1.420 1.00 0.00 O ATOM 0 H TYR A 17 0.571 -5.528 -0.499 1.00 0.00 H new ATOM 0 HA TYR A 17 2.481 -6.325 1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.448 -7.608 1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.722 -7.784 -0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.302 -8.650 2.812 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.777 -9.724 -1.279 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.482 -10.766 3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.954 -11.840 -0.876 1.00 0.00 H new ATOM 0 HH TYR A 17 3.992 -13.128 0.587 1.00 0.00 H new ATOM 273 N GLN A 18 3.150 -6.647 -1.692 1.00 0.00 N ATOM 274 CA GLN A 18 4.230 -6.855 -2.653 1.00 0.00 C ATOM 275 C GLN A 18 5.446 -5.998 -2.309 1.00 0.00 C ATOM 276 O GLN A 18 6.584 -6.460 -2.385 1.00 0.00 O ATOM 277 CB GLN A 18 3.743 -6.534 -4.068 1.00 0.00 C ATOM 278 CG GLN A 18 3.452 -7.769 -4.905 1.00 0.00 C ATOM 279 CD GLN A 18 3.875 -7.607 -6.352 1.00 0.00 C ATOM 280 OE1 GLN A 18 3.099 -7.146 -7.190 1.00 0.00 O ATOM 281 NE2 GLN A 18 5.111 -7.987 -6.654 1.00 0.00 N ATOM 0 H GLN A 18 2.246 -6.434 -2.115 1.00 0.00 H new ATOM 0 HA GLN A 18 4.529 -7.902 -2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.840 -5.928 -4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.496 -5.931 -4.575 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.969 -8.626 -4.473 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.385 -7.987 -4.865 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.720 -8.364 -5.928 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.451 -7.902 -7.612 1.00 0.00 H new ATOM 290 N LEU A 19 5.195 -4.751 -1.926 1.00 0.00 N ATOM 291 CA LEU A 19 6.267 -3.833 -1.564 1.00 0.00 C ATOM 292 C LEU A 19 6.851 -4.198 -0.206 1.00 0.00 C ATOM 293 O LEU A 19 8.062 -4.343 -0.061 1.00 0.00 O ATOM 294 CB LEU A 19 5.744 -2.399 -1.533 1.00 0.00 C ATOM 295 CG LEU A 19 5.195 -1.881 -2.863 1.00 0.00 C ATOM 296 CD1 LEU A 19 4.655 -0.470 -2.703 1.00 0.00 C ATOM 297 CD2 LEU A 19 6.274 -1.922 -3.935 1.00 0.00 C ATOM 0 H LEU A 19 4.258 -4.353 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 19 7.053 -3.912 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.957 -2.332 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.551 -1.741 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 19 4.375 -2.529 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.269 -0.118 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.853 -0.469 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.456 0.190 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.867 -1.550 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.113 -1.297 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.616 -2.948 -4.068 1.00 0.00 H new ATOM 309 N GLU A 20 5.979 -4.347 0.788 1.00 0.00 N ATOM 310 CA GLU A 20 6.408 -4.697 2.138 1.00 0.00 C ATOM 311 C GLU A 20 7.359 -5.891 2.122 1.00 0.00 C ATOM 312 O GLU A 20 8.211 -6.031 2.999 1.00 0.00 O ATOM 313 CB GLU A 20 5.195 -5.011 3.015 1.00 0.00 C ATOM 314 CG GLU A 20 5.493 -4.965 4.504 1.00 0.00 C ATOM 315 CD GLU A 20 4.784 -6.060 5.275 1.00 0.00 C ATOM 316 OE1 GLU A 20 3.556 -5.950 5.471 1.00 0.00 O ATOM 317 OE2 GLU A 20 5.457 -7.031 5.683 1.00 0.00 O ATOM 0 H GLU A 20 4.971 -4.231 0.683 1.00 0.00 H new ATOM 0 HA GLU A 20 6.940 -3.841 2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.400 -4.300 2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.818 -6.001 2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.568 -5.055 4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.194 -3.995 4.901 1.00 0.00 H new ATOM 324 N GLN A 21 7.207 -6.748 1.118 1.00 0.00 N ATOM 325 CA GLN A 21 8.052 -7.928 0.987 1.00 0.00 C ATOM 326 C GLN A 21 9.361 -7.586 0.280 1.00 0.00 C ATOM 327 O GLN A 21 10.387 -8.224 0.512 1.00 0.00 O ATOM 328 CB GLN A 21 7.315 -9.025 0.216 1.00 0.00 C ATOM 329 CG GLN A 21 7.564 -10.422 0.758 1.00 0.00 C ATOM 330 CD GLN A 21 7.833 -11.434 -0.338 1.00 0.00 C ATOM 331 OE1 GLN A 21 6.921 -12.118 -0.804 1.00 0.00 O ATOM 332 NE2 GLN A 21 9.089 -11.536 -0.755 1.00 0.00 N ATOM 0 H GLN A 21 6.506 -6.647 0.384 1.00 0.00 H new ATOM 0 HA GLN A 21 8.285 -8.290 1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.245 -8.820 0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.621 -8.990 -0.830 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.414 -10.397 1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.699 -10.742 1.338 1.00 0.00 H new ATOM 0 HE21 GLN A 21 9.813 -10.949 -0.341 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.330 -12.201 -1.490 1.00 0.00 H new ATOM 341 N GLU A 22 9.318 -6.574 -0.582 1.00 0.00 N ATOM 342 CA GLU A 22 10.503 -6.150 -1.319 1.00 0.00 C ATOM 343 C GLU A 22 11.280 -5.096 -0.539 1.00 0.00 C ATOM 344 O GLU A 22 12.499 -4.990 -0.663 1.00 0.00 O ATOM 345 CB GLU A 22 10.107 -5.600 -2.690 1.00 0.00 C ATOM 346 CG GLU A 22 11.159 -5.824 -3.764 1.00 0.00 C ATOM 347 CD GLU A 22 11.899 -4.552 -4.131 1.00 0.00 C ATOM 348 OE1 GLU A 22 11.294 -3.464 -4.034 1.00 0.00 O ATOM 349 OE2 GLU A 22 13.083 -4.645 -4.516 1.00 0.00 O ATOM 0 H GLU A 22 8.477 -6.034 -0.787 1.00 0.00 H new ATOM 0 HA GLU A 22 11.145 -7.020 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.174 -6.068 -3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.913 -4.531 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.875 -6.569 -3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.682 -6.232 -4.655 1.00 0.00 H new ATOM 356 N VAL A 23 10.563 -4.316 0.264 1.00 0.00 N ATOM 357 CA VAL A 23 11.177 -3.266 1.068 1.00 0.00 C ATOM 358 C VAL A 23 11.918 -3.852 2.264 1.00 0.00 C ATOM 359 O VAL A 23 12.881 -3.264 2.758 1.00 0.00 O ATOM 360 CB VAL A 23 10.123 -2.259 1.573 1.00 0.00 C ATOM 361 CG1 VAL A 23 10.798 -1.018 2.139 1.00 0.00 C ATOM 362 CG2 VAL A 23 9.150 -1.888 0.459 1.00 0.00 C ATOM 0 H VAL A 23 9.552 -4.392 0.375 1.00 0.00 H new ATOM 0 HA VAL A 23 11.887 -2.747 0.424 1.00 0.00 H new ATOM 0 HB VAL A 23 9.553 -2.732 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.039 -0.319 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.443 -1.302 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.397 -0.543 1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.416 -1.177 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.698 -1.437 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.639 -2.785 0.109 1.00 0.00 H new ATOM 372 N ALA A 24 11.463 -5.012 2.728 1.00 0.00 N ATOM 373 CA ALA A 24 12.082 -5.678 3.868 1.00 0.00 C ATOM 374 C ALA A 24 13.570 -5.922 3.627 1.00 0.00 C ATOM 375 O ALA A 24 14.355 -6.005 4.570 1.00 0.00 O ATOM 376 CB ALA A 24 11.371 -6.990 4.158 1.00 0.00 C ATOM 0 H ALA A 24 10.667 -5.510 2.331 1.00 0.00 H new ATOM 0 HA ALA A 24 11.987 -5.023 4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.842 -7.478 5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.323 -6.794 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.437 -7.640 3.286 1.00 0.00 H new ATOM 382 N GLN A 25 13.949 -6.041 2.358 1.00 0.00 N ATOM 383 CA GLN A 25 15.343 -6.278 1.997 1.00 0.00 C ATOM 384 C GLN A 25 16.049 -4.969 1.659 1.00 0.00 C ATOM 385 O GLN A 25 17.245 -4.814 1.913 1.00 0.00 O ATOM 386 CB GLN A 25 15.426 -7.237 0.808 1.00 0.00 C ATOM 387 CG GLN A 25 15.187 -8.690 1.182 1.00 0.00 C ATOM 388 CD GLN A 25 16.054 -9.647 0.387 1.00 0.00 C ATOM 389 OE1 GLN A 25 16.310 -9.432 -0.797 1.00 0.00 O ATOM 390 NE2 GLN A 25 16.509 -10.712 1.037 1.00 0.00 N ATOM 0 H GLN A 25 13.312 -5.977 1.564 1.00 0.00 H new ATOM 0 HA GLN A 25 15.843 -6.728 2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.693 -6.938 0.059 1.00 0.00 H new ATOM 0 HB3 GLN A 25 16.409 -7.146 0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.384 -8.825 2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 25 14.138 -8.935 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 25 16.271 -10.850 2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 25 17.096 -11.392 0.554 1.00 0.00 H new ATOM 399 N LEU A 26 15.306 -4.030 1.084 1.00 0.00 N ATOM 400 CA LEU A 26 15.864 -2.735 0.710 1.00 0.00 C ATOM 401 C LEU A 26 16.423 -2.009 1.930 1.00 0.00 C ATOM 402 O LEU A 26 17.636 -1.843 2.065 1.00 0.00 O ATOM 403 CB LEU A 26 14.799 -1.872 0.032 1.00 0.00 C ATOM 404 CG LEU A 26 14.255 -2.434 -1.283 1.00 0.00 C ATOM 405 CD1 LEU A 26 12.966 -1.724 -1.676 1.00 0.00 C ATOM 406 CD2 LEU A 26 15.295 -2.305 -2.385 1.00 0.00 C ATOM 0 H LEU A 26 14.316 -4.141 0.867 1.00 0.00 H new ATOM 0 HA LEU A 26 16.680 -2.910 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.968 -1.737 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.220 -0.885 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 26 14.033 -3.492 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.594 -2.137 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.219 -1.867 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.161 -0.659 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.893 -2.709 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.547 -1.254 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.191 -2.859 -2.106 1.00 0.00 H new ATOM 418 N GLU A 27 15.531 -1.577 2.817 1.00 0.00 N ATOM 419 CA GLU A 27 15.937 -0.868 4.025 1.00 0.00 C ATOM 420 C GLU A 27 16.244 -1.849 5.154 1.00 0.00 C ATOM 421 O GLU A 27 15.671 -1.761 6.240 1.00 0.00 O ATOM 422 CB GLU A 27 14.841 0.107 4.461 1.00 0.00 C ATOM 423 CG GLU A 27 13.501 -0.561 4.720 1.00 0.00 C ATOM 424 CD GLU A 27 12.553 0.320 5.510 1.00 0.00 C ATOM 425 OE1 GLU A 27 12.992 0.906 6.522 1.00 0.00 O ATOM 426 OE2 GLU A 27 11.373 0.426 5.114 1.00 0.00 O ATOM 0 H GLU A 27 14.524 -1.706 2.722 1.00 0.00 H new ATOM 0 HA GLU A 27 16.844 -0.306 3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.163 0.621 5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.715 0.868 3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.040 -0.822 3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.662 -1.493 5.262 1.00 0.00 H new ATOM 513 N GLN B 3 -18.001 3.493 2.925 1.00 0.00 N ATOM 514 CA GLN B 3 -17.064 3.926 3.955 1.00 0.00 C ATOM 515 C GLN B 3 -16.457 2.735 4.691 1.00 0.00 C ATOM 516 O GLN B 3 -15.275 2.743 5.031 1.00 0.00 O ATOM 517 CB GLN B 3 -17.766 4.850 4.953 1.00 0.00 C ATOM 518 CG GLN B 3 -18.846 4.159 5.768 1.00 0.00 C ATOM 519 CD GLN B 3 -19.931 5.116 6.226 1.00 0.00 C ATOM 520 OE1 GLN B 3 -21.061 5.068 5.742 1.00 0.00 O ATOM 521 NE2 GLN B 3 -19.589 5.992 7.164 1.00 0.00 N ATOM 0 HA GLN B 3 -16.257 4.470 3.464 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -17.023 5.269 5.632 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -18.210 5.685 4.411 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -19.295 3.365 5.171 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -18.392 3.686 6.639 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -18.640 5.995 7.537 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -20.276 6.661 7.512 1.00 0.00 H new ATOM 530 N ALA B 4 -17.274 1.717 4.939 1.00 0.00 N ATOM 531 CA ALA B 4 -16.814 0.524 5.647 1.00 0.00 C ATOM 532 C ALA B 4 -15.576 -0.081 4.988 1.00 0.00 C ATOM 533 O ALA B 4 -14.736 -0.680 5.658 1.00 0.00 O ATOM 534 CB ALA B 4 -17.930 -0.505 5.731 1.00 0.00 C ATOM 0 H ALA B 4 -18.255 1.692 4.662 1.00 0.00 H new ATOM 0 HA ALA B 4 -16.534 0.825 6.657 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -17.572 -1.388 6.261 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -18.778 -0.079 6.267 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -18.241 -0.787 4.725 1.00 0.00 H new ATOM 540 N LEU B 5 -15.462 0.091 3.676 1.00 0.00 N ATOM 541 CA LEU B 5 -14.317 -0.428 2.933 1.00 0.00 C ATOM 542 C LEU B 5 -13.445 0.726 2.467 1.00 0.00 C ATOM 543 O LEU B 5 -12.219 0.688 2.560 1.00 0.00 O ATOM 544 CB LEU B 5 -14.790 -1.236 1.725 1.00 0.00 C ATOM 545 CG LEU B 5 -14.998 -2.731 1.974 1.00 0.00 C ATOM 546 CD1 LEU B 5 -15.878 -3.333 0.891 1.00 0.00 C ATOM 547 CD2 LEU B 5 -13.659 -3.449 2.032 1.00 0.00 C ATOM 0 H LEU B 5 -16.147 0.585 3.104 1.00 0.00 H new ATOM 0 HA LEU B 5 -13.739 -1.080 3.588 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -15.729 -0.810 1.370 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -14.062 -1.117 0.922 1.00 0.00 H new ATOM 0 HG LEU B 5 -15.500 -2.856 2.934 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -16.016 -4.397 1.084 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -16.848 -2.836 0.892 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.402 -3.199 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -13.823 -4.512 2.210 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -13.134 -3.316 1.086 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -13.059 -3.034 2.842 1.00 0.00 H new ATOM 559 N LYS B 6 -14.116 1.751 1.974 1.00 0.00 N ATOM 560 CA LYS B 6 -13.474 2.956 1.482 1.00 0.00 C ATOM 561 C LYS B 6 -12.501 3.526 2.514 1.00 0.00 C ATOM 562 O LYS B 6 -11.386 3.923 2.176 1.00 0.00 O ATOM 563 CB LYS B 6 -14.562 3.981 1.154 1.00 0.00 C ATOM 564 CG LYS B 6 -14.045 5.396 0.936 1.00 0.00 C ATOM 565 CD LYS B 6 -14.565 5.987 -0.366 1.00 0.00 C ATOM 566 CE LYS B 6 -14.992 7.434 -0.189 1.00 0.00 C ATOM 567 NZ LYS B 6 -16.255 7.549 0.593 1.00 0.00 N ATOM 0 H LYS B 6 -15.133 1.770 1.903 1.00 0.00 H new ATOM 0 HA LYS B 6 -12.897 2.719 0.588 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -15.091 3.658 0.257 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -15.289 3.994 1.966 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -14.349 6.028 1.770 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -12.955 5.388 0.923 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -13.790 5.926 -1.130 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -15.410 5.398 -0.722 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -14.200 7.987 0.317 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -15.128 7.895 -1.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -16.603 8.528 0.549 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -16.970 6.909 0.193 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -16.074 7.291 1.584 1.00 0.00 H new ATOM 581 N LYS B 7 -12.936 3.570 3.770 1.00 0.00 N ATOM 582 CA LYS B 7 -12.104 4.100 4.845 1.00 0.00 C ATOM 583 C LYS B 7 -11.029 3.099 5.260 1.00 0.00 C ATOM 584 O LYS B 7 -9.990 3.481 5.798 1.00 0.00 O ATOM 585 CB LYS B 7 -12.971 4.480 6.053 1.00 0.00 C ATOM 586 CG LYS B 7 -13.391 3.295 6.912 1.00 0.00 C ATOM 587 CD LYS B 7 -14.745 3.533 7.564 1.00 0.00 C ATOM 588 CE LYS B 7 -14.597 4.107 8.964 1.00 0.00 C ATOM 589 NZ LYS B 7 -15.725 3.707 9.850 1.00 0.00 N ATOM 0 H LYS B 7 -13.856 3.246 4.068 1.00 0.00 H new ATOM 0 HA LYS B 7 -11.605 4.994 4.472 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -12.421 5.188 6.673 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -13.865 4.993 5.698 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -13.435 2.396 6.297 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -12.641 3.118 7.683 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -15.331 4.217 6.949 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.297 2.594 7.611 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -13.656 3.768 9.398 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -14.548 5.194 8.907 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -15.587 4.118 10.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -16.620 4.053 9.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -15.757 2.670 9.925 1.00 0.00 H new ATOM 603 N ARG B 8 -11.284 1.817 5.014 1.00 0.00 N ATOM 604 CA ARG B 8 -10.330 0.776 5.373 1.00 0.00 C ATOM 605 C ARG B 8 -9.073 0.857 4.504 1.00 0.00 C ATOM 606 O ARG B 8 -7.995 0.435 4.919 1.00 0.00 O ATOM 607 CB ARG B 8 -10.993 -0.609 5.291 1.00 0.00 C ATOM 608 CG ARG B 8 -10.865 -1.313 3.942 1.00 0.00 C ATOM 609 CD ARG B 8 -10.207 -2.679 4.090 1.00 0.00 C ATOM 610 NE ARG B 8 -11.164 -3.770 3.917 1.00 0.00 N ATOM 611 CZ ARG B 8 -11.883 -4.298 4.906 1.00 0.00 C ATOM 612 NH1 ARG B 8 -11.770 -3.834 6.144 1.00 0.00 N ATOM 613 NH2 ARG B 8 -12.722 -5.292 4.655 1.00 0.00 N ATOM 0 H ARG B 8 -12.137 1.477 4.571 1.00 0.00 H new ATOM 0 HA ARG B 8 -10.015 0.934 6.405 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -10.558 -1.248 6.059 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.052 -0.502 5.528 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -11.852 -1.429 3.495 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -10.278 -0.696 3.262 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.408 -2.778 3.355 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.746 -2.754 5.075 1.00 0.00 H new ATOM 0 HE ARG B 8 -11.289 -4.151 2.979 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -11.128 -3.067 6.345 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -12.325 -4.245 6.895 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -12.817 -5.652 3.705 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -13.273 -5.697 5.411 1.00 0.00 H new ATOM 627 N VAL B 9 -9.216 1.417 3.302 1.00 0.00 N ATOM 628 CA VAL B 9 -8.084 1.569 2.391 1.00 0.00 C ATOM 629 C VAL B 9 -6.987 2.388 3.060 1.00 0.00 C ATOM 630 O VAL B 9 -5.797 2.179 2.816 1.00 0.00 O ATOM 631 CB VAL B 9 -8.516 2.252 1.065 1.00 0.00 C ATOM 632 CG1 VAL B 9 -7.321 2.584 0.167 1.00 0.00 C ATOM 633 CG2 VAL B 9 -9.513 1.376 0.321 1.00 0.00 C ATOM 0 H VAL B 9 -10.101 1.771 2.939 1.00 0.00 H new ATOM 0 HA VAL B 9 -7.705 0.575 2.153 1.00 0.00 H new ATOM 0 HB VAL B 9 -8.993 3.196 1.327 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -7.674 3.060 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -6.648 3.262 0.692 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -6.788 1.667 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -9.807 1.867 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -9.053 0.415 0.093 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -10.394 1.218 0.943 1.00 0.00 H new ATOM 643 N GLN B 10 -7.399 3.313 3.920 1.00 0.00 N ATOM 644 CA GLN B 10 -6.460 4.156 4.644 1.00 0.00 C ATOM 645 C GLN B 10 -5.630 3.331 5.624 1.00 0.00 C ATOM 646 O GLN B 10 -4.642 3.815 6.168 1.00 0.00 O ATOM 647 CB GLN B 10 -7.208 5.259 5.395 1.00 0.00 C ATOM 648 CG GLN B 10 -8.260 5.962 4.553 1.00 0.00 C ATOM 649 CD GLN B 10 -8.790 7.219 5.214 1.00 0.00 C ATOM 650 OE1 GLN B 10 -8.053 7.937 5.889 1.00 0.00 O ATOM 651 NE2 GLN B 10 -10.077 7.489 5.025 1.00 0.00 N ATOM 0 H GLN B 10 -8.380 3.497 4.132 1.00 0.00 H new ATOM 0 HA GLN B 10 -5.786 4.611 3.919 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -7.687 4.828 6.274 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -6.489 5.996 5.753 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -7.833 6.218 3.584 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -9.087 5.278 4.366 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -10.651 6.865 4.457 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -10.491 8.320 5.447 1.00 0.00 H new ATOM 660 N ALA B 11 -6.042 2.087 5.858 1.00 0.00 N ATOM 661 CA ALA B 11 -5.329 1.208 6.775 1.00 0.00 C ATOM 662 C ALA B 11 -4.270 0.376 6.054 1.00 0.00 C ATOM 663 O ALA B 11 -3.239 0.035 6.633 1.00 0.00 O ATOM 664 CB ALA B 11 -6.307 0.304 7.509 1.00 0.00 C ATOM 0 H ALA B 11 -6.865 1.668 5.425 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.813 1.837 7.501 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.759 -0.347 8.191 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -7.011 0.914 8.076 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -6.853 -0.303 6.787 1.00 0.00 H new ATOM 670 N LEU B 12 -4.536 0.038 4.796 1.00 0.00 N ATOM 671 CA LEU B 12 -3.607 -0.769 4.009 1.00 0.00 C ATOM 672 C LEU B 12 -2.637 0.126 3.233 1.00 0.00 C ATOM 673 O LEU B 12 -1.530 0.407 3.694 1.00 0.00 O ATOM 674 CB LEU B 12 -4.379 -1.698 3.051 1.00 0.00 C ATOM 675 CG LEU B 12 -5.773 -2.130 3.538 1.00 0.00 C ATOM 676 CD1 LEU B 12 -6.626 -2.652 2.390 1.00 0.00 C ATOM 677 CD2 LEU B 12 -5.657 -3.182 4.626 1.00 0.00 C ATOM 0 H LEU B 12 -5.385 0.309 4.300 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.024 -1.388 4.691 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.487 -1.194 2.091 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.780 -2.592 2.876 1.00 0.00 H new ATOM 0 HG LEU B 12 -6.265 -1.249 3.951 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.604 -2.948 2.769 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.749 -1.868 1.642 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.137 -3.513 1.936 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.653 -3.474 4.957 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -5.134 -4.055 4.234 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -5.100 -2.774 5.469 1.00 0.00 H new ATOM 689 N LYS B 13 -3.068 0.576 2.060 1.00 0.00 N ATOM 690 CA LYS B 13 -2.288 1.437 1.203 1.00 0.00 C ATOM 691 C LYS B 13 -1.585 2.533 1.962 1.00 0.00 C ATOM 692 O LYS B 13 -0.542 3.022 1.529 1.00 0.00 O ATOM 693 CB LYS B 13 -3.229 2.082 0.220 1.00 0.00 C ATOM 694 CG LYS B 13 -2.615 2.392 -1.119 1.00 0.00 C ATOM 695 CD LYS B 13 -2.224 1.120 -1.826 1.00 0.00 C ATOM 696 CE LYS B 13 -2.565 1.190 -3.303 1.00 0.00 C ATOM 697 NZ LYS B 13 -2.042 0.014 -4.053 1.00 0.00 N ATOM 0 H LYS B 13 -3.985 0.344 1.679 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.526 0.827 0.718 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -4.085 1.424 0.070 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -3.610 3.006 0.654 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.323 2.952 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -1.738 3.026 -0.986 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -1.155 0.946 -1.704 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.738 0.274 -1.370 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.647 1.245 -3.423 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -2.151 2.104 -3.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -2.537 -0.065 -4.964 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -1.023 0.135 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -2.200 -0.851 -3.497 1.00 0.00 H new ATOM 711 N ALA B 14 -2.180 2.957 3.068 1.00 0.00 N ATOM 712 CA ALA B 14 -1.608 4.038 3.833 1.00 0.00 C ATOM 713 C ALA B 14 -0.101 3.869 3.956 1.00 0.00 C ATOM 714 O ALA B 14 0.660 4.835 3.877 1.00 0.00 O ATOM 715 CB ALA B 14 -2.248 4.141 5.203 1.00 0.00 C ATOM 0 H ALA B 14 -3.045 2.571 3.445 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.809 4.967 3.300 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.795 4.965 5.755 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.317 4.322 5.092 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.092 3.210 5.748 1.00 0.00 H new ATOM 721 N ARG B 15 0.319 2.623 4.126 1.00 0.00 N ATOM 722 CA ARG B 15 1.729 2.297 4.235 1.00 0.00 C ATOM 723 C ARG B 15 2.308 2.001 2.857 1.00 0.00 C ATOM 724 O ARG B 15 3.486 2.245 2.607 1.00 0.00 O ATOM 725 CB ARG B 15 1.930 1.097 5.160 1.00 0.00 C ATOM 726 CG ARG B 15 3.391 0.790 5.444 1.00 0.00 C ATOM 727 CD ARG B 15 3.925 -0.267 4.497 1.00 0.00 C ATOM 728 NE ARG B 15 3.414 -1.597 4.821 1.00 0.00 N ATOM 729 CZ ARG B 15 3.741 -2.269 5.923 1.00 0.00 C ATOM 730 NH1 ARG B 15 4.587 -1.745 6.802 1.00 0.00 N ATOM 731 NH2 ARG B 15 3.224 -3.469 6.146 1.00 0.00 N ATOM 0 H ARG B 15 -0.304 1.818 4.191 1.00 0.00 H new ATOM 0 HA ARG B 15 2.251 3.154 4.660 1.00 0.00 H new ATOM 0 HB2 ARG B 15 1.416 1.285 6.103 1.00 0.00 H new ATOM 0 HB3 ARG B 15 1.463 0.220 4.712 1.00 0.00 H new ATOM 0 HG2 ARG B 15 3.982 1.701 5.347 1.00 0.00 H new ATOM 0 HG3 ARG B 15 3.500 0.448 6.473 1.00 0.00 H new ATOM 0 HD2 ARG B 15 3.648 -0.011 3.474 1.00 0.00 H new ATOM 0 HD3 ARG B 15 5.014 -0.276 4.540 1.00 0.00 H new ATOM 0 HE ARG B 15 2.769 -2.036 4.164 1.00 0.00 H new ATOM 0 HH11 ARG B 15 4.990 -0.823 6.635 1.00 0.00 H new ATOM 0 HH12 ARG B 15 4.834 -2.264 7.644 1.00 0.00 H new ATOM 0 HH21 ARG B 15 2.575 -3.878 5.473 1.00 0.00 H new ATOM 0 HH22 ARG B 15 3.475 -3.983 6.990 1.00 0.00 H new ATOM 745 N ASN B 16 1.468 1.479 1.961 1.00 0.00 N ATOM 746 CA ASN B 16 1.897 1.156 0.608 1.00 0.00 C ATOM 747 C ASN B 16 2.387 2.399 -0.123 1.00 0.00 C ATOM 748 O ASN B 16 3.476 2.407 -0.699 1.00 0.00 O ATOM 749 CB ASN B 16 0.732 0.534 -0.151 1.00 0.00 C ATOM 750 CG ASN B 16 1.096 0.106 -1.556 1.00 0.00 C ATOM 751 OD1 ASN B 16 2.160 0.448 -2.069 1.00 0.00 O ATOM 752 ND2 ASN B 16 0.202 -0.651 -2.183 1.00 0.00 N ATOM 0 H ASN B 16 0.488 1.273 2.153 1.00 0.00 H new ATOM 0 HA ASN B 16 2.725 0.449 0.663 1.00 0.00 H new ATOM 0 HB2 ASN B 16 0.367 -0.331 0.402 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -0.087 1.251 -0.197 1.00 0.00 H new ATOM 0 HD21 ASN B 16 0.384 -0.975 -3.133 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -0.667 -0.908 -1.714 1.00 0.00 H new ATOM 759 N TYR B 17 1.571 3.446 -0.102 1.00 0.00 N ATOM 760 CA TYR B 17 1.909 4.698 -0.768 1.00 0.00 C ATOM 761 C TYR B 17 3.274 5.214 -0.318 1.00 0.00 C ATOM 762 O TYR B 17 3.977 5.878 -1.079 1.00 0.00 O ATOM 763 CB TYR B 17 0.836 5.753 -0.490 1.00 0.00 C ATOM 764 CG TYR B 17 1.129 7.097 -1.118 1.00 0.00 C ATOM 765 CD1 TYR B 17 0.932 7.308 -2.477 1.00 0.00 C ATOM 766 CD2 TYR B 17 1.604 8.153 -0.351 1.00 0.00 C ATOM 767 CE1 TYR B 17 1.199 8.534 -3.054 1.00 0.00 C ATOM 768 CE2 TYR B 17 1.874 9.382 -0.921 1.00 0.00 C ATOM 769 CZ TYR B 17 1.670 9.568 -2.272 1.00 0.00 C ATOM 770 OH TYR B 17 1.938 10.791 -2.844 1.00 0.00 O ATOM 0 H TYR B 17 0.667 3.452 0.371 1.00 0.00 H new ATOM 0 HA TYR B 17 1.954 4.504 -1.840 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -0.123 5.390 -0.860 1.00 0.00 H new ATOM 0 HB3 TYR B 17 0.734 5.880 0.588 1.00 0.00 H new ATOM 0 HD1 TYR B 17 0.564 6.500 -3.092 1.00 0.00 H new ATOM 0 HD2 TYR B 17 1.765 8.011 0.707 1.00 0.00 H new ATOM 0 HE1 TYR B 17 1.040 8.682 -4.112 1.00 0.00 H new ATOM 0 HE2 TYR B 17 2.243 10.193 -0.311 1.00 0.00 H new ATOM 0 HH TYR B 17 2.261 11.410 -2.156 1.00 0.00 H new ATOM 780 N ALA B 18 3.641 4.909 0.921 1.00 0.00 N ATOM 781 CA ALA B 18 4.920 5.347 1.466 1.00 0.00 C ATOM 782 C ALA B 18 6.074 4.537 0.888 1.00 0.00 C ATOM 783 O ALA B 18 7.014 5.099 0.327 1.00 0.00 O ATOM 784 CB ALA B 18 4.909 5.251 2.984 1.00 0.00 C ATOM 0 H ALA B 18 3.072 4.361 1.566 1.00 0.00 H new ATOM 0 HA ALA B 18 5.068 6.389 1.181 1.00 0.00 H new ATOM 0 HB1 ALA B 18 5.871 5.581 3.376 1.00 0.00 H new ATOM 0 HB2 ALA B 18 4.117 5.885 3.383 1.00 0.00 H new ATOM 0 HB3 ALA B 18 4.731 4.218 3.282 1.00 0.00 H new ATOM 790 N LEU B 19 6.000 3.215 1.021 1.00 0.00 N ATOM 791 CA LEU B 19 7.051 2.349 0.498 1.00 0.00 C ATOM 792 C LEU B 19 7.206 2.558 -1.002 1.00 0.00 C ATOM 793 O LEU B 19 8.303 2.814 -1.491 1.00 0.00 O ATOM 794 CB LEU B 19 6.757 0.871 0.786 1.00 0.00 C ATOM 795 CG LEU B 19 5.980 0.587 2.074 1.00 0.00 C ATOM 796 CD1 LEU B 19 5.909 -0.910 2.335 1.00 0.00 C ATOM 797 CD2 LEU B 19 6.615 1.306 3.256 1.00 0.00 C ATOM 0 H LEU B 19 5.233 2.725 1.481 1.00 0.00 H new ATOM 0 HA LEU B 19 7.980 2.616 1.002 1.00 0.00 H new ATOM 0 HB2 LEU B 19 6.195 0.461 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.704 0.333 0.829 1.00 0.00 H new ATOM 0 HG LEU B 19 4.965 0.964 1.951 1.00 0.00 H new ATOM 0 HD11 LEU B 19 5.353 -1.093 3.255 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.405 -1.401 1.502 1.00 0.00 H new ATOM 0 HD13 LEU B 19 6.918 -1.310 2.435 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.047 1.090 4.161 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.642 0.963 3.382 1.00 0.00 H new ATOM 0 HD23 LEU B 19 6.612 2.380 3.073 1.00 0.00 H new ATOM 809 N LYS B 20 6.090 2.458 -1.723 1.00 0.00 N ATOM 810 CA LYS B 20 6.081 2.639 -3.173 1.00 0.00 C ATOM 811 C LYS B 20 6.909 3.850 -3.593 1.00 0.00 C ATOM 812 O LYS B 20 7.458 3.889 -4.694 1.00 0.00 O ATOM 813 CB LYS B 20 4.646 2.804 -3.671 1.00 0.00 C ATOM 814 CG LYS B 20 4.377 2.104 -4.994 1.00 0.00 C ATOM 815 CD LYS B 20 3.035 1.389 -4.988 1.00 0.00 C ATOM 816 CE LYS B 20 2.056 2.027 -5.959 1.00 0.00 C ATOM 817 NZ LYS B 20 1.287 3.136 -5.330 1.00 0.00 N ATOM 0 H LYS B 20 5.175 2.251 -1.323 1.00 0.00 H new ATOM 0 HA LYS B 20 6.527 1.750 -3.620 1.00 0.00 H new ATOM 0 HB2 LYS B 20 3.962 2.414 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS B 20 4.428 3.866 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS B 20 4.397 2.834 -5.803 1.00 0.00 H new ATOM 0 HG3 LYS B 20 5.172 1.385 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS B 20 3.179 0.341 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS B 20 2.616 1.409 -3.982 1.00 0.00 H new ATOM 0 HE2 LYS B 20 2.600 2.408 -6.824 1.00 0.00 H new ATOM 0 HE3 LYS B 20 1.364 1.269 -6.326 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.631 3.543 -6.027 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 0.747 2.769 -4.520 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 1.944 3.872 -5.002 1.00 0.00 H new ATOM 831 N GLN B 21 6.983 4.841 -2.713 1.00 0.00 N ATOM 832 CA GLN B 21 7.732 6.057 -2.997 1.00 0.00 C ATOM 833 C GLN B 21 9.211 5.912 -2.636 1.00 0.00 C ATOM 834 O GLN B 21 10.083 6.402 -3.354 1.00 0.00 O ATOM 835 CB GLN B 21 7.124 7.236 -2.234 1.00 0.00 C ATOM 836 CG GLN B 21 7.851 8.552 -2.461 1.00 0.00 C ATOM 837 CD GLN B 21 6.932 9.649 -2.964 1.00 0.00 C ATOM 838 OE1 GLN B 21 5.836 9.847 -2.439 1.00 0.00 O ATOM 839 NE2 GLN B 21 7.375 10.370 -3.987 1.00 0.00 N ATOM 0 H GLN B 21 6.534 4.826 -1.798 1.00 0.00 H new ATOM 0 HA GLN B 21 7.668 6.241 -4.069 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.082 7.351 -2.532 1.00 0.00 H new ATOM 0 HB3 GLN B 21 7.128 7.008 -1.168 1.00 0.00 H new ATOM 0 HG2 GLN B 21 8.315 8.872 -1.528 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.655 8.399 -3.181 1.00 0.00 H new ATOM 0 HE21 GLN B 21 8.290 10.172 -4.392 1.00 0.00 H new ATOM 0 HE22 GLN B 21 6.800 11.122 -4.368 1.00 0.00 H new ATOM 848 N LYS B 22 9.488 5.259 -1.512 1.00 0.00 N ATOM 849 CA LYS B 22 10.862 5.079 -1.050 1.00 0.00 C ATOM 850 C LYS B 22 11.504 3.792 -1.575 1.00 0.00 C ATOM 851 O LYS B 22 12.689 3.558 -1.342 1.00 0.00 O ATOM 852 CB LYS B 22 10.906 5.086 0.478 1.00 0.00 C ATOM 853 CG LYS B 22 9.941 4.099 1.111 1.00 0.00 C ATOM 854 CD LYS B 22 10.636 3.202 2.124 1.00 0.00 C ATOM 855 CE LYS B 22 11.033 3.973 3.372 1.00 0.00 C ATOM 856 NZ LYS B 22 9.911 4.801 3.894 1.00 0.00 N ATOM 0 H LYS B 22 8.781 4.846 -0.904 1.00 0.00 H new ATOM 0 HA LYS B 22 11.439 5.914 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS B 22 11.919 4.854 0.806 1.00 0.00 H new ATOM 0 HB3 LYS B 22 10.676 6.089 0.837 1.00 0.00 H new ATOM 0 HG2 LYS B 22 9.133 4.643 1.601 1.00 0.00 H new ATOM 0 HG3 LYS B 22 9.486 3.485 0.333 1.00 0.00 H new ATOM 0 HD2 LYS B 22 9.974 2.380 2.398 1.00 0.00 H new ATOM 0 HD3 LYS B 22 11.523 2.759 1.671 1.00 0.00 H new ATOM 0 HE2 LYS B 22 11.357 3.274 4.143 1.00 0.00 H new ATOM 0 HE3 LYS B 22 11.884 4.616 3.146 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 10.087 5.035 4.892 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 9.840 5.678 3.340 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 9.021 4.269 3.815 1.00 0.00 H new ATOM 870 N VAL B 23 10.733 2.952 -2.271 1.00 0.00 N ATOM 871 CA VAL B 23 11.268 1.692 -2.799 1.00 0.00 C ATOM 872 C VAL B 23 12.645 1.892 -3.425 1.00 0.00 C ATOM 873 O VAL B 23 13.643 1.373 -2.928 1.00 0.00 O ATOM 874 CB VAL B 23 10.338 1.058 -3.852 1.00 0.00 C ATOM 875 CG1 VAL B 23 10.813 -0.342 -4.211 1.00 0.00 C ATOM 876 CG2 VAL B 23 8.904 1.021 -3.355 1.00 0.00 C ATOM 0 H VAL B 23 9.749 3.117 -2.481 1.00 0.00 H new ATOM 0 HA VAL B 23 11.344 1.019 -1.945 1.00 0.00 H new ATOM 0 HB VAL B 23 10.372 1.676 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.144 -0.773 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL B 23 11.823 -0.290 -4.617 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.813 -0.967 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL B 23 8.267 0.569 -4.115 1.00 0.00 H new ATOM 0 HG22 VAL B 23 8.851 0.431 -2.440 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.563 2.036 -3.152 1.00 0.00 H new ATOM 886 N GLN B 24 12.690 2.653 -4.512 1.00 0.00 N ATOM 887 CA GLN B 24 13.947 2.924 -5.199 1.00 0.00 C ATOM 888 C GLN B 24 14.856 3.789 -4.333 1.00 0.00 C ATOM 889 O GLN B 24 16.080 3.669 -4.388 1.00 0.00 O ATOM 890 CB GLN B 24 13.687 3.617 -6.538 1.00 0.00 C ATOM 891 CG GLN B 24 12.499 3.052 -7.299 1.00 0.00 C ATOM 892 CD GLN B 24 12.560 3.354 -8.783 1.00 0.00 C ATOM 893 OE1 GLN B 24 12.260 2.498 -9.615 1.00 0.00 O ATOM 894 NE2 GLN B 24 12.950 4.578 -9.121 1.00 0.00 N ATOM 0 H GLN B 24 11.873 3.092 -4.936 1.00 0.00 H new ATOM 0 HA GLN B 24 14.444 1.972 -5.386 1.00 0.00 H new ATOM 0 HB2 GLN B 24 13.521 4.680 -6.361 1.00 0.00 H new ATOM 0 HB3 GLN B 24 14.578 3.533 -7.160 1.00 0.00 H new ATOM 0 HG2 GLN B 24 12.459 1.973 -7.153 1.00 0.00 H new ATOM 0 HG3 GLN B 24 11.578 3.464 -6.886 1.00 0.00 H new ATOM 0 HE21 GLN B 24 13.189 5.255 -8.397 1.00 0.00 H new ATOM 0 HE22 GLN B 24 13.010 4.841 -10.105 1.00 0.00 H new ATOM 903 N ALA B 25 14.249 4.658 -3.532 1.00 0.00 N ATOM 904 CA ALA B 25 15.003 5.539 -2.650 1.00 0.00 C ATOM 905 C ALA B 25 15.807 4.736 -1.635 1.00 0.00 C ATOM 906 O ALA B 25 16.887 5.149 -1.214 1.00 0.00 O ATOM 907 CB ALA B 25 14.065 6.505 -1.941 1.00 0.00 C ATOM 0 H ALA B 25 13.237 4.771 -3.476 1.00 0.00 H new ATOM 0 HA ALA B 25 15.703 6.113 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA B 25 14.642 7.157 -1.285 1.00 0.00 H new ATOM 0 HB2 ALA B 25 13.537 7.108 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.343 5.943 -1.349 1.00 0.00 H new ATOM 913 N LEU B 26 15.272 3.582 -1.247 1.00 0.00 N ATOM 914 CA LEU B 26 15.940 2.716 -0.284 1.00 0.00 C ATOM 915 C LEU B 26 17.191 2.094 -0.894 1.00 0.00 C ATOM 916 O LEU B 26 18.307 2.347 -0.439 1.00 0.00 O ATOM 917 CB LEU B 26 14.989 1.614 0.191 1.00 0.00 C ATOM 918 CG LEU B 26 13.887 2.073 1.148 1.00 0.00 C ATOM 919 CD1 LEU B 26 13.127 0.876 1.696 1.00 0.00 C ATOM 920 CD2 LEU B 26 14.472 2.900 2.283 1.00 0.00 C ATOM 0 H LEU B 26 14.378 3.226 -1.585 1.00 0.00 H new ATOM 0 HA LEU B 26 16.235 3.324 0.571 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.523 1.157 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.575 0.837 0.683 1.00 0.00 H new ATOM 0 HG LEU B 26 13.189 2.700 0.593 1.00 0.00 H new ATOM 0 HD11 LEU B 26 12.347 1.220 2.375 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.674 0.325 0.872 1.00 0.00 H new ATOM 0 HD13 LEU B 26 13.815 0.224 2.234 1.00 0.00 H new ATOM 0 HD21 LEU B 26 13.672 3.217 2.952 1.00 0.00 H new ATOM 0 HD22 LEU B 26 15.192 2.299 2.838 1.00 0.00 H new ATOM 0 HD23 LEU B 26 14.971 3.778 1.873 1.00 0.00 H new ATOM 932 N ARG B 27 16.996 1.281 -1.927 1.00 0.00 N ATOM 933 CA ARG B 27 18.111 0.622 -2.603 1.00 0.00 C ATOM 934 C ARG B 27 19.166 1.633 -3.040 1.00 0.00 C ATOM 935 O ARG B 27 20.365 1.388 -2.912 1.00 0.00 O ATOM 936 CB ARG B 27 17.613 -0.165 -3.819 1.00 0.00 C ATOM 937 CG ARG B 27 16.604 0.590 -4.670 1.00 0.00 C ATOM 938 CD ARG B 27 15.402 -0.278 -5.011 1.00 0.00 C ATOM 939 NE ARG B 27 14.962 -0.087 -6.391 1.00 0.00 N ATOM 940 CZ ARG B 27 14.204 -0.957 -7.055 1.00 0.00 C ATOM 941 NH1 ARG B 27 13.795 -2.075 -6.469 1.00 0.00 N ATOM 942 NH2 ARG B 27 13.854 -0.708 -8.310 1.00 0.00 N ATOM 0 H ARG B 27 16.078 1.062 -2.315 1.00 0.00 H new ATOM 0 HA ARG B 27 18.567 -0.068 -1.893 1.00 0.00 H new ATOM 0 HB2 ARG B 27 18.467 -0.435 -4.440 1.00 0.00 H new ATOM 0 HB3 ARG B 27 17.161 -1.096 -3.477 1.00 0.00 H new ATOM 0 HG2 ARG B 27 16.271 1.481 -4.137 1.00 0.00 H new ATOM 0 HG3 ARG B 27 17.082 0.928 -5.589 1.00 0.00 H new ATOM 0 HD2 ARG B 27 15.656 -1.326 -4.853 1.00 0.00 H new ATOM 0 HD3 ARG B 27 14.581 -0.043 -4.333 1.00 0.00 H new ATOM 0 HE ARG B 27 15.253 0.763 -6.874 1.00 0.00 H new ATOM 0 HH11 ARG B 27 14.061 -2.272 -5.504 1.00 0.00 H new ATOM 0 HH12 ARG B 27 13.214 -2.737 -6.983 1.00 0.00 H new ATOM 0 HH21 ARG B 27 14.166 0.150 -8.766 1.00 0.00 H new ATOM 0 HH22 ARG B 27 13.273 -1.374 -8.819 1.00 0.00 H new