USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=6 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: A 17 TYR OH : rot 180:sc= -0.615 USER MOD Set 1.2: A 21 GLN : amide:sc= -0.911 K(o=-1.5,f=1.6) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00928) USER MOD Single : A 11 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.8) USER MOD Single : A 16 ASN : amide:sc= -4.45 X(o=-4.5,f=-4.3) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.0276 X(o=-0.028,f=-0.13) USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ -154:sc= -0.101 (180deg=-0.361) USER MOD Single : B 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0372) USER MOD Single : B 10 GLN : amide:sc= -0.314 K(o=-0.31,f=-1.4!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -3.65 K(o=-3.6,f=-7.2!) 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 K(o=0,f=-1.3) USER MOD Single : B 22 LYS NZ :NH3+ -131:sc= 0.508 (180deg=0) USER MOD Single : B 24 GLN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 5 -14.828 0.412 -4.815 1.00 0.00 N ATOM 66 CA LEU A 5 -14.066 0.545 -3.580 1.00 0.00 C ATOM 67 C LEU A 5 -13.657 -0.825 -3.050 1.00 0.00 C ATOM 68 O LEU A 5 -12.586 -0.980 -2.462 1.00 0.00 O ATOM 69 CB LEU A 5 -14.886 1.291 -2.525 1.00 0.00 C ATOM 70 CG LEU A 5 -14.949 2.809 -2.711 1.00 0.00 C ATOM 71 CD1 LEU A 5 -16.009 3.413 -1.805 1.00 0.00 C ATOM 72 CD2 LEU A 5 -13.591 3.435 -2.435 1.00 0.00 C ATOM 0 HA LEU A 5 -13.164 1.118 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.902 0.897 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.466 1.077 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.221 3.019 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.040 4.493 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.982 2.986 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.767 3.194 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.653 4.515 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.291 3.216 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.854 3.024 -3.125 1.00 0.00 H new ATOM 84 N GLU A 6 -14.513 -1.818 -3.268 1.00 0.00 N ATOM 85 CA GLU A 6 -14.237 -3.177 -2.818 1.00 0.00 C ATOM 86 C GLU A 6 -12.941 -3.693 -3.433 1.00 0.00 C ATOM 87 O GLU A 6 -12.201 -4.451 -2.804 1.00 0.00 O ATOM 88 CB GLU A 6 -15.395 -4.106 -3.190 1.00 0.00 C ATOM 89 CG GLU A 6 -16.622 -3.934 -2.309 1.00 0.00 C ATOM 90 CD GLU A 6 -17.860 -4.587 -2.894 1.00 0.00 C ATOM 91 OE1 GLU A 6 -17.769 -5.143 -4.009 1.00 0.00 O ATOM 92 OE2 GLU A 6 -18.921 -4.541 -2.237 1.00 0.00 O ATOM 0 H GLU A 6 -15.403 -1.707 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.128 -3.162 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.675 -3.926 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.055 -5.140 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.421 -4.361 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.812 -2.871 -2.162 1.00 0.00 H new ATOM 99 N LYS A 7 -12.671 -3.270 -4.663 1.00 0.00 N ATOM 100 CA LYS A 7 -11.460 -3.681 -5.365 1.00 0.00 C ATOM 101 C LYS A 7 -10.268 -2.851 -4.904 1.00 0.00 C ATOM 102 O LYS A 7 -9.126 -3.311 -4.942 1.00 0.00 O ATOM 103 CB LYS A 7 -11.641 -3.541 -6.881 1.00 0.00 C ATOM 104 CG LYS A 7 -13.064 -3.796 -7.358 1.00 0.00 C ATOM 105 CD LYS A 7 -13.100 -4.746 -8.545 1.00 0.00 C ATOM 106 CE LYS A 7 -12.309 -4.200 -9.722 1.00 0.00 C ATOM 107 NZ LYS A 7 -12.975 -3.021 -10.341 1.00 0.00 N ATOM 0 H LYS A 7 -13.274 -2.643 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.271 -4.729 -5.131 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.342 -2.537 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.970 -4.237 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.652 -4.213 -6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.529 -2.850 -7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.694 -5.713 -8.250 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.134 -4.913 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.310 -3.919 -9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -12.187 -4.982 -10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.430 -2.710 -11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.937 -3.281 -10.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.023 -2.246 -9.649 1.00 0.00 H new ATOM 121 N GLU A 8 -10.541 -1.626 -4.462 1.00 0.00 N ATOM 122 CA GLU A 8 -9.493 -0.732 -3.985 1.00 0.00 C ATOM 123 C GLU A 8 -8.691 -1.391 -2.866 1.00 0.00 C ATOM 124 O GLU A 8 -7.509 -1.096 -2.680 1.00 0.00 O ATOM 125 CB GLU A 8 -10.101 0.581 -3.491 1.00 0.00 C ATOM 126 CG GLU A 8 -9.070 1.662 -3.211 1.00 0.00 C ATOM 127 CD GLU A 8 -9.689 2.921 -2.638 1.00 0.00 C ATOM 128 OE1 GLU A 8 -10.791 2.830 -2.057 1.00 0.00 O ATOM 129 OE2 GLU A 8 -9.072 3.999 -2.770 1.00 0.00 O ATOM 0 H GLU A 8 -11.481 -1.231 -4.425 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.820 -0.520 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.807 0.948 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.670 0.389 -2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.326 1.277 -2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.545 1.907 -4.135 1.00 0.00 H new ATOM 136 N VAL A 9 -9.339 -2.289 -2.130 1.00 0.00 N ATOM 137 CA VAL A 9 -8.684 -2.996 -1.038 1.00 0.00 C ATOM 138 C VAL A 9 -7.758 -4.077 -1.580 1.00 0.00 C ATOM 139 O VAL A 9 -6.565 -4.098 -1.275 1.00 0.00 O ATOM 140 CB VAL A 9 -9.713 -3.633 -0.080 1.00 0.00 C ATOM 141 CG1 VAL A 9 -9.017 -4.450 1.000 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.591 -2.559 0.543 1.00 0.00 C ATOM 0 H VAL A 9 -10.317 -2.543 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.100 -2.264 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.346 -4.307 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.763 -4.888 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.433 -5.244 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.356 -3.803 1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.312 -3.023 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.969 -1.860 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.122 -2.022 -0.243 1.00 0.00 H new ATOM 152 N ALA A 10 -8.310 -4.969 -2.398 1.00 0.00 N ATOM 153 CA ALA A 10 -7.528 -6.044 -2.992 1.00 0.00 C ATOM 154 C ALA A 10 -6.353 -5.480 -3.782 1.00 0.00 C ATOM 155 O ALA A 10 -5.323 -6.137 -3.940 1.00 0.00 O ATOM 156 CB ALA A 10 -8.408 -6.906 -3.887 1.00 0.00 C ATOM 0 H ALA A 10 -9.295 -4.967 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.133 -6.667 -2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.810 -7.705 -4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.215 -7.338 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.830 -6.292 -4.683 1.00 0.00 H new ATOM 162 N GLN A 11 -6.513 -4.254 -4.270 1.00 0.00 N ATOM 163 CA GLN A 11 -5.466 -3.591 -5.036 1.00 0.00 C ATOM 164 C GLN A 11 -4.241 -3.334 -4.163 1.00 0.00 C ATOM 165 O GLN A 11 -3.140 -3.787 -4.476 1.00 0.00 O ATOM 166 CB GLN A 11 -5.989 -2.275 -5.615 1.00 0.00 C ATOM 167 CG GLN A 11 -4.944 -1.494 -6.398 1.00 0.00 C ATOM 168 CD GLN A 11 -4.928 -0.021 -6.040 1.00 0.00 C ATOM 169 OE1 GLN A 11 -4.511 0.359 -4.946 1.00 0.00 O ATOM 170 NE2 GLN A 11 -5.382 0.817 -6.964 1.00 0.00 N ATOM 0 H GLN A 11 -7.360 -3.699 -4.148 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.172 -4.245 -5.857 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.836 -2.486 -6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.361 -1.652 -4.801 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.959 -1.921 -6.208 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.138 -1.603 -7.465 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.718 0.458 -7.857 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.395 1.820 -6.781 1.00 0.00 H new ATOM 179 N LEU A 12 -4.439 -2.607 -3.066 1.00 0.00 N ATOM 180 CA LEU A 12 -3.345 -2.300 -2.152 1.00 0.00 C ATOM 181 C LEU A 12 -2.878 -3.555 -1.427 1.00 0.00 C ATOM 182 O LEU A 12 -1.704 -3.687 -1.090 1.00 0.00 O ATOM 183 CB LEU A 12 -3.774 -1.247 -1.131 1.00 0.00 C ATOM 184 CG LEU A 12 -4.257 0.076 -1.725 1.00 0.00 C ATOM 185 CD1 LEU A 12 -4.949 0.910 -0.661 1.00 0.00 C ATOM 186 CD2 LEU A 12 -3.092 0.844 -2.333 1.00 0.00 C ATOM 0 H LEU A 12 -5.342 -2.222 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.518 -1.905 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.572 -1.664 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.934 -1.044 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.975 -0.140 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.288 1.849 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.806 0.362 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.251 1.118 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.454 1.783 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.351 1.052 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.635 0.247 -3.123 1.00 0.00 H new ATOM 198 N GLU A 13 -3.803 -4.477 -1.191 1.00 0.00 N ATOM 199 CA GLU A 13 -3.473 -5.721 -0.506 1.00 0.00 C ATOM 200 C GLU A 13 -2.394 -6.484 -1.269 1.00 0.00 C ATOM 201 O GLU A 13 -1.611 -7.228 -0.680 1.00 0.00 O ATOM 202 CB GLU A 13 -4.722 -6.589 -0.348 1.00 0.00 C ATOM 203 CG GLU A 13 -5.541 -6.251 0.888 1.00 0.00 C ATOM 204 CD GLU A 13 -6.825 -7.053 0.975 1.00 0.00 C ATOM 205 OE1 GLU A 13 -7.541 -7.139 -0.045 1.00 0.00 O ATOM 206 OE2 GLU A 13 -7.113 -7.597 2.062 1.00 0.00 O ATOM 0 H GLU A 13 -4.782 -4.388 -1.462 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.089 -5.476 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.349 -6.475 -1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.424 -7.636 -0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.941 -6.436 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.781 -5.188 0.881 1.00 0.00 H new ATOM 213 N ALA A 14 -2.355 -6.284 -2.583 1.00 0.00 N ATOM 214 CA ALA A 14 -1.367 -6.945 -3.427 1.00 0.00 C ATOM 215 C ALA A 14 -0.107 -6.094 -3.549 1.00 0.00 C ATOM 216 O ALA A 14 1.008 -6.615 -3.539 1.00 0.00 O ATOM 217 CB ALA A 14 -1.952 -7.228 -4.803 1.00 0.00 C ATOM 0 H ALA A 14 -2.996 -5.670 -3.085 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.096 -7.893 -2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.203 -7.722 -5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.823 -7.875 -4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.249 -6.290 -5.272 1.00 0.00 H new ATOM 223 N GLU A 15 -0.294 -4.783 -3.659 1.00 0.00 N ATOM 224 CA GLU A 15 0.828 -3.857 -3.776 1.00 0.00 C ATOM 225 C GLU A 15 1.483 -3.631 -2.418 1.00 0.00 C ATOM 226 O GLU A 15 2.679 -3.867 -2.247 1.00 0.00 O ATOM 227 CB GLU A 15 0.358 -2.522 -4.358 1.00 0.00 C ATOM 228 CG GLU A 15 1.467 -1.727 -5.028 1.00 0.00 C ATOM 229 CD GLU A 15 0.966 -0.895 -6.192 1.00 0.00 C ATOM 230 OE1 GLU A 15 -0.093 -0.250 -6.048 1.00 0.00 O ATOM 231 OE2 GLU A 15 1.634 -0.889 -7.248 1.00 0.00 O ATOM 0 H GLU A 15 -1.211 -4.337 -3.670 1.00 0.00 H new ATOM 0 HA GLU A 15 1.564 -4.297 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.433 -2.710 -5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.078 -1.921 -3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.935 -1.072 -4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.238 -2.412 -5.381 1.00 0.00 H new ATOM 238 N ASN A 16 0.688 -3.178 -1.450 1.00 0.00 N ATOM 239 CA ASN A 16 1.183 -2.926 -0.102 1.00 0.00 C ATOM 240 C ASN A 16 1.949 -4.133 0.432 1.00 0.00 C ATOM 241 O ASN A 16 2.899 -3.989 1.200 1.00 0.00 O ATOM 242 CB ASN A 16 0.015 -2.598 0.828 1.00 0.00 C ATOM 243 CG ASN A 16 0.466 -2.265 2.236 1.00 0.00 C ATOM 244 OD1 ASN A 16 1.644 -2.002 2.477 1.00 0.00 O ATOM 245 ND2 ASN A 16 -0.473 -2.275 3.173 1.00 0.00 N ATOM 0 H ASN A 16 -0.304 -2.978 -1.577 1.00 0.00 H new ATOM 0 HA ASN A 16 1.865 -2.077 -0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.543 -1.755 0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.668 -3.447 0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.231 -2.059 4.140 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.437 -2.499 2.926 1.00 0.00 H new ATOM 252 N TYR A 17 1.526 -5.323 0.018 1.00 0.00 N ATOM 253 CA TYR A 17 2.168 -6.559 0.452 1.00 0.00 C ATOM 254 C TYR A 17 3.399 -6.864 -0.399 1.00 0.00 C ATOM 255 O TYR A 17 4.341 -7.504 0.067 1.00 0.00 O ATOM 256 CB TYR A 17 1.173 -7.722 0.378 1.00 0.00 C ATOM 257 CG TYR A 17 1.804 -9.084 0.582 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.093 -9.554 1.856 1.00 0.00 C ATOM 259 CD2 TYR A 17 2.111 -9.896 -0.503 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.669 -10.796 2.043 1.00 0.00 C ATOM 261 CE2 TYR A 17 2.687 -11.138 -0.324 1.00 0.00 C ATOM 262 CZ TYR A 17 2.964 -11.584 0.951 1.00 0.00 C ATOM 263 OH TYR A 17 3.538 -12.820 1.135 1.00 0.00 O ATOM 0 H TYR A 17 0.740 -5.458 -0.618 1.00 0.00 H new ATOM 0 HA TYR A 17 2.492 -6.432 1.485 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.400 -7.574 1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.679 -7.703 -0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.864 -8.939 2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.895 -9.550 -1.503 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.887 -11.148 3.040 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.919 -11.757 -1.178 1.00 0.00 H new ATOM 0 HH TYR A 17 3.681 -13.247 0.265 1.00 0.00 H new ATOM 273 N GLN A 18 3.382 -6.409 -1.647 1.00 0.00 N ATOM 274 CA GLN A 18 4.498 -6.641 -2.558 1.00 0.00 C ATOM 275 C GLN A 18 5.686 -5.747 -2.213 1.00 0.00 C ATOM 276 O GLN A 18 6.832 -6.087 -2.503 1.00 0.00 O ATOM 277 CB GLN A 18 4.063 -6.394 -4.004 1.00 0.00 C ATOM 278 CG GLN A 18 5.086 -6.849 -5.032 1.00 0.00 C ATOM 279 CD GLN A 18 4.984 -6.082 -6.336 1.00 0.00 C ATOM 280 OE1 GLN A 18 4.047 -6.274 -7.111 1.00 0.00 O ATOM 281 NE2 GLN A 18 5.950 -5.205 -6.584 1.00 0.00 N ATOM 0 H GLN A 18 2.610 -5.879 -2.051 1.00 0.00 H new ATOM 0 HA GLN A 18 4.809 -7.680 -2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.122 -6.913 -4.185 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.871 -5.330 -4.140 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.088 -6.727 -4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.950 -7.912 -5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.708 -5.078 -5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.934 -4.658 -7.445 1.00 0.00 H new ATOM 290 N LEU A 19 5.406 -4.603 -1.596 1.00 0.00 N ATOM 291 CA LEU A 19 6.455 -3.665 -1.217 1.00 0.00 C ATOM 292 C LEU A 19 6.876 -3.869 0.233 1.00 0.00 C ATOM 293 O LEU A 19 8.059 -4.011 0.529 1.00 0.00 O ATOM 294 CB LEU A 19 5.982 -2.227 -1.424 1.00 0.00 C ATOM 295 CG LEU A 19 5.692 -1.846 -2.876 1.00 0.00 C ATOM 296 CD1 LEU A 19 4.868 -0.569 -2.939 1.00 0.00 C ATOM 297 CD2 LEU A 19 6.990 -1.684 -3.651 1.00 0.00 C ATOM 0 H LEU A 19 4.463 -4.304 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 19 7.319 -3.853 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.078 -2.069 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.741 -1.550 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 19 5.114 -2.648 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.672 -0.314 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.923 -0.720 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.419 0.243 -2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.766 -1.413 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.592 -0.900 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.543 -2.623 -3.634 1.00 0.00 H new ATOM 309 N GLU A 20 5.901 -3.882 1.137 1.00 0.00 N ATOM 310 CA GLU A 20 6.178 -4.068 2.559 1.00 0.00 C ATOM 311 C GLU A 20 7.110 -5.256 2.786 1.00 0.00 C ATOM 312 O GLU A 20 7.871 -5.285 3.754 1.00 0.00 O ATOM 313 CB GLU A 20 4.876 -4.274 3.332 1.00 0.00 C ATOM 314 CG GLU A 20 5.030 -4.112 4.836 1.00 0.00 C ATOM 315 CD GLU A 20 5.088 -5.442 5.562 1.00 0.00 C ATOM 316 OE1 GLU A 20 4.083 -6.183 5.524 1.00 0.00 O ATOM 317 OE2 GLU A 20 6.138 -5.742 6.168 1.00 0.00 O ATOM 0 H GLU A 20 4.913 -3.766 0.911 1.00 0.00 H new ATOM 0 HA GLU A 20 6.672 -3.168 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.133 -3.562 2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.491 -5.271 3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.939 -3.548 5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.195 -3.527 5.222 1.00 0.00 H new ATOM 324 N GLN A 21 7.045 -6.231 1.887 1.00 0.00 N ATOM 325 CA GLN A 21 7.883 -7.420 1.986 1.00 0.00 C ATOM 326 C GLN A 21 9.227 -7.198 1.296 1.00 0.00 C ATOM 327 O GLN A 21 10.233 -7.801 1.671 1.00 0.00 O ATOM 328 CB GLN A 21 7.168 -8.626 1.371 1.00 0.00 C ATOM 329 CG GLN A 21 6.925 -9.756 2.359 1.00 0.00 C ATOM 330 CD GLN A 21 6.846 -11.111 1.683 1.00 0.00 C ATOM 331 OE1 GLN A 21 7.636 -11.422 0.793 1.00 0.00 O ATOM 332 NE2 GLN A 21 5.887 -11.927 2.106 1.00 0.00 N ATOM 0 H GLN A 21 6.420 -6.222 1.081 1.00 0.00 H new ATOM 0 HA GLN A 21 8.068 -7.618 3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.212 -8.301 0.961 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.761 -9.004 0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.727 -9.768 3.097 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.997 -9.569 2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.253 -11.628 2.847 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.784 -12.852 1.690 1.00 0.00 H new ATOM 341 N GLU A 22 9.237 -6.333 0.286 1.00 0.00 N ATOM 342 CA GLU A 22 10.460 -6.037 -0.452 1.00 0.00 C ATOM 343 C GLU A 22 11.275 -4.961 0.258 1.00 0.00 C ATOM 344 O GLU A 22 12.503 -5.022 0.297 1.00 0.00 O ATOM 345 CB GLU A 22 10.125 -5.590 -1.878 1.00 0.00 C ATOM 346 CG GLU A 22 10.773 -6.448 -2.952 1.00 0.00 C ATOM 347 CD GLU A 22 9.760 -7.220 -3.775 1.00 0.00 C ATOM 348 OE1 GLU A 22 9.175 -8.187 -3.241 1.00 0.00 O ATOM 349 OE2 GLU A 22 9.551 -6.859 -4.952 1.00 0.00 O ATOM 0 H GLU A 22 8.414 -5.826 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 22 11.059 -6.947 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.043 -5.611 -2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.443 -4.556 -2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.363 -5.812 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.464 -7.149 -2.484 1.00 0.00 H new ATOM 356 N VAL A 23 10.580 -3.980 0.820 1.00 0.00 N ATOM 357 CA VAL A 23 11.233 -2.891 1.534 1.00 0.00 C ATOM 358 C VAL A 23 11.973 -3.416 2.758 1.00 0.00 C ATOM 359 O VAL A 23 12.999 -2.868 3.160 1.00 0.00 O ATOM 360 CB VAL A 23 10.219 -1.818 1.981 1.00 0.00 C ATOM 361 CG1 VAL A 23 10.938 -0.543 2.400 1.00 0.00 C ATOM 362 CG2 VAL A 23 9.210 -1.535 0.873 1.00 0.00 C ATOM 0 H VAL A 23 9.562 -3.917 0.795 1.00 0.00 H new ATOM 0 HA VAL A 23 11.943 -2.437 0.843 1.00 0.00 H new ATOM 0 HB VAL A 23 9.674 -2.199 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.206 0.202 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.611 -0.760 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.513 -0.156 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.504 -0.775 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.734 -1.177 -0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.670 -2.450 0.630 1.00 0.00 H new ATOM 372 N ALA A 24 11.446 -4.487 3.344 1.00 0.00 N ATOM 373 CA ALA A 24 12.058 -5.097 4.517 1.00 0.00 C ATOM 374 C ALA A 24 13.403 -5.732 4.171 1.00 0.00 C ATOM 375 O ALA A 24 14.178 -6.086 5.059 1.00 0.00 O ATOM 376 CB ALA A 24 11.123 -6.132 5.122 1.00 0.00 C ATOM 0 H ALA A 24 10.595 -4.950 3.024 1.00 0.00 H new ATOM 0 HA ALA A 24 12.237 -4.312 5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.593 -6.580 5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.190 -5.651 5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.914 -6.908 4.386 1.00 0.00 H new ATOM 382 N GLN A 25 13.676 -5.877 2.876 1.00 0.00 N ATOM 383 CA GLN A 25 14.927 -6.469 2.420 1.00 0.00 C ATOM 384 C GLN A 25 15.760 -5.464 1.624 1.00 0.00 C ATOM 385 O GLN A 25 16.873 -5.771 1.198 1.00 0.00 O ATOM 386 CB GLN A 25 14.645 -7.704 1.562 1.00 0.00 C ATOM 387 CG GLN A 25 13.586 -8.624 2.148 1.00 0.00 C ATOM 388 CD GLN A 25 14.117 -10.014 2.446 1.00 0.00 C ATOM 389 OE1 GLN A 25 14.806 -10.617 1.623 1.00 0.00 O ATOM 390 NE2 GLN A 25 13.797 -10.528 3.628 1.00 0.00 N ATOM 0 H GLN A 25 13.046 -5.592 2.126 1.00 0.00 H new ATOM 0 HA GLN A 25 15.498 -6.763 3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.326 -7.382 0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.570 -8.265 1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 25 13.196 -8.184 3.066 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.751 -8.700 1.451 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.223 -9.992 4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 25 14.125 -11.459 3.885 1.00 0.00 H new ATOM 399 N LEU A 26 15.216 -4.265 1.419 1.00 0.00 N ATOM 400 CA LEU A 26 15.915 -3.231 0.668 1.00 0.00 C ATOM 401 C LEU A 26 16.627 -2.246 1.596 1.00 0.00 C ATOM 402 O LEU A 26 17.820 -1.989 1.442 1.00 0.00 O ATOM 403 CB LEU A 26 14.932 -2.477 -0.230 1.00 0.00 C ATOM 404 CG LEU A 26 14.422 -3.264 -1.437 1.00 0.00 C ATOM 405 CD1 LEU A 26 13.196 -2.591 -2.033 1.00 0.00 C ATOM 406 CD2 LEU A 26 15.518 -3.403 -2.483 1.00 0.00 C ATOM 0 H LEU A 26 14.296 -3.989 1.763 1.00 0.00 H new ATOM 0 HA LEU A 26 16.669 -3.722 0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.077 -2.170 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.414 -1.567 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 26 14.137 -4.262 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.847 -3.165 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.407 -2.543 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.454 -1.582 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.138 -3.966 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.834 -2.413 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.369 -3.930 -2.051 1.00 0.00 H new ATOM 418 N GLU A 27 15.884 -1.687 2.547 1.00 0.00 N ATOM 419 CA GLU A 27 16.447 -0.716 3.483 1.00 0.00 C ATOM 420 C GLU A 27 17.006 -1.385 4.736 1.00 0.00 C ATOM 421 O GLU A 27 18.018 -0.942 5.282 1.00 0.00 O ATOM 422 CB GLU A 27 15.389 0.316 3.876 1.00 0.00 C ATOM 423 CG GLU A 27 14.075 -0.298 4.328 1.00 0.00 C ATOM 424 CD GLU A 27 13.645 0.185 5.701 1.00 0.00 C ATOM 425 OE1 GLU A 27 13.192 1.344 5.806 1.00 0.00 O ATOM 426 OE2 GLU A 27 13.762 -0.596 6.668 1.00 0.00 O ATOM 0 H GLU A 27 14.894 -1.888 2.690 1.00 0.00 H new ATOM 0 HA GLU A 27 17.273 -0.219 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.783 0.940 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.200 0.971 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.298 -0.057 3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.172 -1.384 4.343 1.00 0.00 H new ATOM 513 N GLN B 3 -17.915 4.200 2.519 1.00 0.00 N ATOM 514 CA GLN B 3 -17.061 4.512 3.659 1.00 0.00 C ATOM 515 C GLN B 3 -16.674 3.249 4.418 1.00 0.00 C ATOM 516 O GLN B 3 -15.508 3.048 4.758 1.00 0.00 O ATOM 517 CB GLN B 3 -17.766 5.497 4.599 1.00 0.00 C ATOM 518 CG GLN B 3 -18.904 4.881 5.396 1.00 0.00 C ATOM 519 CD GLN B 3 -19.746 5.921 6.108 1.00 0.00 C ATOM 520 OE1 GLN B 3 -20.806 6.317 5.624 1.00 0.00 O ATOM 521 NE2 GLN B 3 -19.277 6.370 7.267 1.00 0.00 N ATOM 0 HA GLN B 3 -16.149 4.973 3.279 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -17.033 5.911 5.291 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -18.155 6.329 4.012 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -19.539 4.301 4.727 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -18.495 4.186 6.129 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -18.393 6.014 7.632 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -19.801 7.070 7.792 1.00 0.00 H new ATOM 530 N ALA B 4 -17.662 2.399 4.681 1.00 0.00 N ATOM 531 CA ALA B 4 -17.434 1.151 5.409 1.00 0.00 C ATOM 532 C ALA B 4 -16.236 0.381 4.856 1.00 0.00 C ATOM 533 O ALA B 4 -15.587 -0.373 5.579 1.00 0.00 O ATOM 534 CB ALA B 4 -18.682 0.282 5.371 1.00 0.00 C ATOM 0 H ALA B 4 -18.631 2.550 4.401 1.00 0.00 H new ATOM 0 HA ALA B 4 -17.209 1.411 6.444 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -18.498 -0.643 5.917 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -19.512 0.817 5.833 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -18.932 0.049 4.336 1.00 0.00 H new ATOM 540 N LEU B 5 -15.940 0.584 3.576 1.00 0.00 N ATOM 541 CA LEU B 5 -14.811 -0.085 2.940 1.00 0.00 C ATOM 542 C LEU B 5 -13.743 0.936 2.589 1.00 0.00 C ATOM 543 O LEU B 5 -12.558 0.752 2.865 1.00 0.00 O ATOM 544 CB LEU B 5 -15.270 -0.810 1.676 1.00 0.00 C ATOM 545 CG LEU B 5 -15.715 -2.259 1.876 1.00 0.00 C ATOM 546 CD1 LEU B 5 -16.472 -2.756 0.656 1.00 0.00 C ATOM 547 CD2 LEU B 5 -14.515 -3.148 2.157 1.00 0.00 C ATOM 0 H LEU B 5 -16.465 1.205 2.960 1.00 0.00 H new ATOM 0 HA LEU B 5 -14.397 -0.817 3.634 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -16.097 -0.251 1.237 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -14.455 -0.795 0.952 1.00 0.00 H new ATOM 0 HG LEU B 5 -16.384 -2.300 2.736 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -16.781 -3.789 0.816 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -17.353 -2.134 0.496 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.826 -2.702 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -14.849 -4.176 2.297 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -13.823 -3.102 1.316 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -14.011 -2.804 3.060 1.00 0.00 H new ATOM 559 N LYS B 6 -14.198 2.020 1.988 1.00 0.00 N ATOM 560 CA LYS B 6 -13.340 3.121 1.584 1.00 0.00 C ATOM 561 C LYS B 6 -12.424 3.547 2.731 1.00 0.00 C ATOM 562 O LYS B 6 -11.305 4.008 2.509 1.00 0.00 O ATOM 563 CB LYS B 6 -14.225 4.290 1.153 1.00 0.00 C ATOM 564 CG LYS B 6 -13.477 5.598 0.946 1.00 0.00 C ATOM 565 CD LYS B 6 -13.830 6.241 -0.387 1.00 0.00 C ATOM 566 CE LYS B 6 -14.994 7.210 -0.247 1.00 0.00 C ATOM 567 NZ LYS B 6 -16.219 6.537 0.265 1.00 0.00 N ATOM 0 H LYS B 6 -15.183 2.163 1.764 1.00 0.00 H new ATOM 0 HA LYS B 6 -12.707 2.804 0.755 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -14.732 4.024 0.225 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -14.998 4.442 1.906 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -13.715 6.286 1.757 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -12.403 5.414 0.989 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -12.961 6.769 -0.779 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -14.085 5.466 -1.110 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -14.714 8.018 0.429 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -15.207 7.664 -1.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -17.060 7.059 -0.053 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -16.257 5.563 -0.098 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -16.196 6.518 1.305 1.00 0.00 H new ATOM 581 N LYS B 7 -12.913 3.389 3.958 1.00 0.00 N ATOM 582 CA LYS B 7 -12.145 3.757 5.141 1.00 0.00 C ATOM 583 C LYS B 7 -11.147 2.664 5.513 1.00 0.00 C ATOM 584 O LYS B 7 -10.110 2.939 6.115 1.00 0.00 O ATOM 585 CB LYS B 7 -13.084 4.037 6.319 1.00 0.00 C ATOM 586 CG LYS B 7 -13.773 2.796 6.864 1.00 0.00 C ATOM 587 CD LYS B 7 -15.093 3.139 7.539 1.00 0.00 C ATOM 588 CE LYS B 7 -14.890 4.068 8.724 1.00 0.00 C ATOM 589 NZ LYS B 7 -15.268 5.472 8.401 1.00 0.00 N ATOM 0 H LYS B 7 -13.838 3.008 4.158 1.00 0.00 H new ATOM 0 HA LYS B 7 -11.585 4.663 4.909 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -12.515 4.507 7.121 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -13.843 4.754 6.004 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -13.951 2.092 6.051 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -13.117 2.299 7.578 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -15.760 3.610 6.817 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -15.580 2.223 7.873 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -15.485 3.717 9.567 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -13.846 4.036 9.036 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -15.228 6.050 9.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -14.606 5.856 7.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -16.234 5.492 8.016 1.00 0.00 H new ATOM 603 N ARG B 8 -11.462 1.424 5.151 1.00 0.00 N ATOM 604 CA ARG B 8 -10.584 0.298 5.451 1.00 0.00 C ATOM 605 C ARG B 8 -9.382 0.278 4.508 1.00 0.00 C ATOM 606 O ARG B 8 -8.323 -0.249 4.849 1.00 0.00 O ATOM 607 CB ARG B 8 -11.361 -1.024 5.371 1.00 0.00 C ATOM 608 CG ARG B 8 -11.573 -1.548 3.954 1.00 0.00 C ATOM 609 CD ARG B 8 -11.008 -2.952 3.785 1.00 0.00 C ATOM 610 NE ARG B 8 -12.055 -3.940 3.534 1.00 0.00 N ATOM 611 CZ ARG B 8 -12.825 -4.461 4.487 1.00 0.00 C ATOM 612 NH1 ARG B 8 -12.669 -4.092 5.752 1.00 0.00 N ATOM 613 NH2 ARG B 8 -13.754 -5.354 4.174 1.00 0.00 N ATOM 0 H ARG B 8 -12.315 1.174 4.651 1.00 0.00 H new ATOM 0 HA ARG B 8 -10.211 0.417 6.468 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -10.828 -1.780 5.948 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.334 -0.888 5.844 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.638 -1.554 3.723 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -11.096 -0.875 3.241 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -10.298 -2.959 2.958 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -10.455 -3.230 4.682 1.00 0.00 H new ATOM 0 HE ARG B 8 -12.205 -4.248 2.573 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -11.956 -3.406 5.999 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -13.262 -4.495 6.478 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -13.878 -5.642 3.203 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -14.344 -5.753 4.904 1.00 0.00 H new ATOM 627 N VAL B 9 -9.554 0.860 3.325 1.00 0.00 N ATOM 628 CA VAL B 9 -8.483 0.915 2.337 1.00 0.00 C ATOM 629 C VAL B 9 -7.292 1.706 2.870 1.00 0.00 C ATOM 630 O VAL B 9 -6.147 1.442 2.504 1.00 0.00 O ATOM 631 CB VAL B 9 -8.974 1.555 1.021 1.00 0.00 C ATOM 632 CG1 VAL B 9 -7.862 1.589 -0.017 1.00 0.00 C ATOM 633 CG2 VAL B 9 -10.184 0.805 0.485 1.00 0.00 C ATOM 0 H VAL B 9 -10.425 1.300 3.028 1.00 0.00 H new ATOM 0 HA VAL B 9 -8.171 -0.110 2.137 1.00 0.00 H new ATOM 0 HB VAL B 9 -9.268 2.583 1.232 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -8.234 2.045 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -7.025 2.174 0.365 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -7.528 0.573 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -10.518 1.269 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -9.913 -0.234 0.295 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -10.989 0.842 1.219 1.00 0.00 H new ATOM 643 N GLN B 10 -7.570 2.675 3.737 1.00 0.00 N ATOM 644 CA GLN B 10 -6.518 3.500 4.319 1.00 0.00 C ATOM 645 C GLN B 10 -5.524 2.646 5.103 1.00 0.00 C ATOM 646 O GLN B 10 -4.391 3.059 5.341 1.00 0.00 O ATOM 647 CB GLN B 10 -7.121 4.574 5.229 1.00 0.00 C ATOM 648 CG GLN B 10 -7.667 4.034 6.543 1.00 0.00 C ATOM 649 CD GLN B 10 -6.719 4.260 7.704 1.00 0.00 C ATOM 650 OE1 GLN B 10 -6.002 5.259 7.751 1.00 0.00 O ATOM 651 NE2 GLN B 10 -6.712 3.328 8.651 1.00 0.00 N ATOM 0 H GLN B 10 -8.512 2.907 4.051 1.00 0.00 H new ATOM 0 HA GLN B 10 -5.984 3.988 3.504 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -6.359 5.323 5.444 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -7.924 5.080 4.694 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -8.622 4.513 6.760 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -7.862 2.967 6.440 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -7.323 2.515 8.571 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -6.095 3.425 9.458 1.00 0.00 H new ATOM 660 N ALA B 11 -5.956 1.452 5.505 1.00 0.00 N ATOM 661 CA ALA B 11 -5.099 0.548 6.264 1.00 0.00 C ATOM 662 C ALA B 11 -4.180 -0.264 5.350 1.00 0.00 C ATOM 663 O ALA B 11 -3.473 -1.160 5.814 1.00 0.00 O ATOM 664 CB ALA B 11 -5.947 -0.381 7.118 1.00 0.00 C ATOM 0 H ALA B 11 -6.891 1.091 5.318 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.466 1.155 6.911 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.298 -1.052 7.681 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.547 0.209 7.811 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -6.605 -0.967 6.476 1.00 0.00 H new ATOM 670 N LEU B 12 -4.188 0.046 4.055 1.00 0.00 N ATOM 671 CA LEU B 12 -3.348 -0.669 3.099 1.00 0.00 C ATOM 672 C LEU B 12 -2.406 0.292 2.377 1.00 0.00 C ATOM 673 O LEU B 12 -1.242 -0.029 2.136 1.00 0.00 O ATOM 674 CB LEU B 12 -4.207 -1.414 2.070 1.00 0.00 C ATOM 675 CG LEU B 12 -5.579 -1.875 2.569 1.00 0.00 C ATOM 676 CD1 LEU B 12 -6.569 -1.942 1.419 1.00 0.00 C ATOM 677 CD2 LEU B 12 -5.473 -3.228 3.257 1.00 0.00 C ATOM 0 H LEU B 12 -4.763 0.783 3.646 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.755 -1.393 3.658 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.353 -0.765 1.206 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.653 -2.287 1.724 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.941 -1.147 3.295 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.539 -2.271 1.792 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.670 -0.955 0.968 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.210 -2.648 0.670 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -6.459 -3.538 3.604 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -5.088 -3.965 2.552 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.796 -3.151 4.108 1.00 0.00 H new ATOM 689 N LYS B 13 -2.918 1.470 2.030 1.00 0.00 N ATOM 690 CA LYS B 13 -2.121 2.473 1.331 1.00 0.00 C ATOM 691 C LYS B 13 -1.386 3.384 2.311 1.00 0.00 C ATOM 692 O LYS B 13 -0.388 4.011 1.955 1.00 0.00 O ATOM 693 CB LYS B 13 -3.000 3.313 0.396 1.00 0.00 C ATOM 694 CG LYS B 13 -4.291 3.806 1.030 1.00 0.00 C ATOM 695 CD LYS B 13 -4.018 4.782 2.163 1.00 0.00 C ATOM 696 CE LYS B 13 -5.061 5.887 2.212 1.00 0.00 C ATOM 697 NZ LYS B 13 -4.494 7.203 1.806 1.00 0.00 N ATOM 0 H LYS B 13 -3.879 1.753 2.221 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.379 1.941 0.736 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.426 4.173 0.052 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -3.245 2.720 -0.485 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -4.908 4.290 0.273 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -4.859 2.956 1.409 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.010 4.246 3.112 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -3.028 5.220 2.036 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -5.892 5.631 1.555 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.464 5.961 3.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.236 7.930 1.853 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.717 7.459 2.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.132 7.140 0.833 1.00 0.00 H new ATOM 711 N ALA B 14 -1.877 3.454 3.546 1.00 0.00 N ATOM 712 CA ALA B 14 -1.256 4.292 4.568 1.00 0.00 C ATOM 713 C ALA B 14 0.229 3.973 4.709 1.00 0.00 C ATOM 714 O ALA B 14 1.082 4.844 4.534 1.00 0.00 O ATOM 715 CB ALA B 14 -1.962 4.113 5.903 1.00 0.00 C ATOM 0 H ALA B 14 -2.701 2.942 3.862 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.353 5.332 4.256 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.487 4.745 6.654 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -3.010 4.396 5.801 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -1.896 3.070 6.212 1.00 0.00 H new ATOM 721 N ARG B 15 0.531 2.719 5.024 1.00 0.00 N ATOM 722 CA ARG B 15 1.912 2.282 5.185 1.00 0.00 C ATOM 723 C ARG B 15 2.598 2.144 3.830 1.00 0.00 C ATOM 724 O ARG B 15 3.754 2.531 3.665 1.00 0.00 O ATOM 725 CB ARG B 15 1.962 0.946 5.930 1.00 0.00 C ATOM 726 CG ARG B 15 3.295 0.674 6.606 1.00 0.00 C ATOM 727 CD ARG B 15 3.467 1.513 7.862 1.00 0.00 C ATOM 728 NE ARG B 15 3.118 0.766 9.070 1.00 0.00 N ATOM 729 CZ ARG B 15 1.910 0.776 9.632 1.00 0.00 C ATOM 730 NH1 ARG B 15 0.926 1.497 9.107 1.00 0.00 N ATOM 731 NH2 ARG B 15 1.686 0.061 10.726 1.00 0.00 N ATOM 0 H ARG B 15 -0.163 1.986 5.173 1.00 0.00 H new ATOM 0 HA ARG B 15 2.441 3.036 5.767 1.00 0.00 H new ATOM 0 HB2 ARG B 15 1.173 0.930 6.682 1.00 0.00 H new ATOM 0 HB3 ARG B 15 1.750 0.140 5.228 1.00 0.00 H new ATOM 0 HG2 ARG B 15 3.365 -0.383 6.862 1.00 0.00 H new ATOM 0 HG3 ARG B 15 4.107 0.888 5.911 1.00 0.00 H new ATOM 0 HD2 ARG B 15 4.500 1.854 7.932 1.00 0.00 H new ATOM 0 HD3 ARG B 15 2.842 2.403 7.792 1.00 0.00 H new ATOM 0 HE ARG B 15 3.845 0.202 9.510 1.00 0.00 H new ATOM 0 HH11 ARG B 15 1.091 2.050 8.266 1.00 0.00 H new ATOM 0 HH12 ARG B 15 0.005 1.498 9.545 1.00 0.00 H new ATOM 0 HH21 ARG B 15 2.437 -0.495 11.135 1.00 0.00 H new ATOM 0 HH22 ARG B 15 0.762 0.067 11.159 1.00 0.00 H new ATOM 745 N ASN B 16 1.873 1.592 2.862 1.00 0.00 N ATOM 746 CA ASN B 16 2.406 1.398 1.517 1.00 0.00 C ATOM 747 C ASN B 16 2.880 2.720 0.920 1.00 0.00 C ATOM 748 O ASN B 16 3.993 2.812 0.403 1.00 0.00 O ATOM 749 CB ASN B 16 1.343 0.766 0.614 1.00 0.00 C ATOM 750 CG ASN B 16 1.846 0.520 -0.795 1.00 0.00 C ATOM 751 OD1 ASN B 16 2.895 1.028 -1.192 1.00 0.00 O ATOM 752 ND2 ASN B 16 1.097 -0.263 -1.563 1.00 0.00 N ATOM 0 H ASN B 16 0.913 1.270 2.984 1.00 0.00 H new ATOM 0 HA ASN B 16 3.262 0.727 1.585 1.00 0.00 H new ATOM 0 HB2 ASN B 16 1.017 -0.179 1.049 1.00 0.00 H new ATOM 0 HB3 ASN B 16 0.470 1.418 0.576 1.00 0.00 H new ATOM 0 HD21 ASN B 16 1.384 -0.463 -2.521 1.00 0.00 H new ATOM 0 HD22 ASN B 16 0.234 -0.664 -1.195 1.00 0.00 H new ATOM 759 N TYR B 17 2.028 3.739 0.987 1.00 0.00 N ATOM 760 CA TYR B 17 2.365 5.054 0.446 1.00 0.00 C ATOM 761 C TYR B 17 3.746 5.503 0.915 1.00 0.00 C ATOM 762 O TYR B 17 4.511 6.093 0.151 1.00 0.00 O ATOM 763 CB TYR B 17 1.314 6.088 0.859 1.00 0.00 C ATOM 764 CG TYR B 17 1.647 7.497 0.422 1.00 0.00 C ATOM 765 CD1 TYR B 17 1.550 7.873 -0.912 1.00 0.00 C ATOM 766 CD2 TYR B 17 2.065 8.450 1.343 1.00 0.00 C ATOM 767 CE1 TYR B 17 1.860 9.158 -1.315 1.00 0.00 C ATOM 768 CE2 TYR B 17 2.375 9.736 0.947 1.00 0.00 C ATOM 769 CZ TYR B 17 2.271 10.086 -0.381 1.00 0.00 C ATOM 770 OH TYR B 17 2.580 11.367 -0.779 1.00 0.00 O ATOM 0 H TYR B 17 1.101 3.681 1.409 1.00 0.00 H new ATOM 0 HA TYR B 17 2.379 4.974 -0.641 1.00 0.00 H new ATOM 0 HB2 TYR B 17 0.351 5.803 0.436 1.00 0.00 H new ATOM 0 HB3 TYR B 17 1.204 6.069 1.943 1.00 0.00 H new ATOM 0 HD1 TYR B 17 1.227 7.149 -1.646 1.00 0.00 H new ATOM 0 HD2 TYR B 17 2.149 8.180 2.385 1.00 0.00 H new ATOM 0 HE1 TYR B 17 1.781 9.434 -2.356 1.00 0.00 H new ATOM 0 HE2 TYR B 17 2.698 10.465 1.676 1.00 0.00 H new ATOM 0 HH TYR B 17 2.851 11.895 0.001 1.00 0.00 H new ATOM 780 N ALA B 18 4.059 5.221 2.174 1.00 0.00 N ATOM 781 CA ALA B 18 5.347 5.596 2.741 1.00 0.00 C ATOM 782 C ALA B 18 6.481 4.810 2.096 1.00 0.00 C ATOM 783 O ALA B 18 7.485 5.386 1.677 1.00 0.00 O ATOM 784 CB ALA B 18 5.345 5.388 4.247 1.00 0.00 C ATOM 0 H ALA B 18 3.438 4.734 2.821 1.00 0.00 H new ATOM 0 HA ALA B 18 5.511 6.654 2.534 1.00 0.00 H new ATOM 0 HB1 ALA B 18 6.315 5.673 4.655 1.00 0.00 H new ATOM 0 HB2 ALA B 18 4.567 6.003 4.698 1.00 0.00 H new ATOM 0 HB3 ALA B 18 5.152 4.338 4.469 1.00 0.00 H new ATOM 790 N LEU B 19 6.318 3.493 2.012 1.00 0.00 N ATOM 791 CA LEU B 19 7.340 2.648 1.407 1.00 0.00 C ATOM 792 C LEU B 19 7.441 2.940 -0.083 1.00 0.00 C ATOM 793 O LEU B 19 8.515 3.227 -0.596 1.00 0.00 O ATOM 794 CB LEU B 19 7.038 1.165 1.626 1.00 0.00 C ATOM 795 CG LEU B 19 6.262 0.832 2.901 1.00 0.00 C ATOM 796 CD1 LEU B 19 6.260 -0.666 3.142 1.00 0.00 C ATOM 797 CD2 LEU B 19 6.853 1.563 4.099 1.00 0.00 C ATOM 0 H LEU B 19 5.497 2.993 2.352 1.00 0.00 H new ATOM 0 HA LEU B 19 8.291 2.875 1.888 1.00 0.00 H new ATOM 0 HB2 LEU B 19 6.472 0.797 0.770 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.981 0.619 1.642 1.00 0.00 H new ATOM 0 HG LEU B 19 5.232 1.165 2.772 1.00 0.00 H new ATOM 0 HD11 LEU B 19 5.704 -0.887 4.053 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.789 -1.170 2.298 1.00 0.00 H new ATOM 0 HD13 LEU B 19 7.286 -1.019 3.248 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.285 1.311 4.995 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.892 1.263 4.232 1.00 0.00 H new ATOM 0 HD23 LEU B 19 6.805 2.639 3.929 1.00 0.00 H new ATOM 809 N LYS B 20 6.303 2.882 -0.771 1.00 0.00 N ATOM 810 CA LYS B 20 6.255 3.158 -2.208 1.00 0.00 C ATOM 811 C LYS B 20 7.124 4.364 -2.562 1.00 0.00 C ATOM 812 O LYS B 20 7.674 4.449 -3.661 1.00 0.00 O ATOM 813 CB LYS B 20 4.812 3.419 -2.642 1.00 0.00 C ATOM 814 CG LYS B 20 4.481 2.875 -4.023 1.00 0.00 C ATOM 815 CD LYS B 20 2.979 2.830 -4.258 1.00 0.00 C ATOM 816 CE LYS B 20 2.651 2.557 -5.716 1.00 0.00 C ATOM 817 NZ LYS B 20 1.489 3.362 -6.184 1.00 0.00 N ATOM 0 H LYS B 20 5.401 2.646 -0.358 1.00 0.00 H new ATOM 0 HA LYS B 20 6.642 2.286 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.136 2.971 -1.913 1.00 0.00 H new ATOM 0 HB3 LYS B 20 4.627 4.493 -2.630 1.00 0.00 H new ATOM 0 HG2 LYS B 20 4.951 3.499 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS B 20 4.897 1.873 -4.130 1.00 0.00 H new ATOM 0 HD2 LYS B 20 2.535 2.055 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS B 20 2.534 3.778 -3.955 1.00 0.00 H new ATOM 0 HE2 LYS B 20 3.521 2.783 -6.332 1.00 0.00 H new ATOM 0 HE3 LYS B 20 2.434 1.497 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 1.297 3.147 -7.183 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 0.652 3.128 -5.613 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 1.705 4.374 -6.083 1.00 0.00 H new ATOM 831 N GLN B 21 7.237 5.290 -1.617 1.00 0.00 N ATOM 832 CA GLN B 21 8.030 6.497 -1.804 1.00 0.00 C ATOM 833 C GLN B 21 9.523 6.215 -1.624 1.00 0.00 C ATOM 834 O GLN B 21 10.358 6.756 -2.349 1.00 0.00 O ATOM 835 CB GLN B 21 7.581 7.563 -0.805 1.00 0.00 C ATOM 836 CG GLN B 21 8.404 8.841 -0.858 1.00 0.00 C ATOM 837 CD GLN B 21 9.311 9.003 0.346 1.00 0.00 C ATOM 838 OE1 GLN B 21 10.383 8.402 0.414 1.00 0.00 O ATOM 839 NE2 GLN B 21 8.884 9.819 1.303 1.00 0.00 N ATOM 0 H GLN B 21 6.784 5.225 -0.705 1.00 0.00 H new ATOM 0 HA GLN B 21 7.874 6.854 -2.822 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.536 7.807 -0.994 1.00 0.00 H new ATOM 0 HB3 GLN B 21 7.635 7.149 0.202 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.008 8.842 -1.765 1.00 0.00 H new ATOM 0 HG3 GLN B 21 7.733 9.698 -0.920 1.00 0.00 H new ATOM 0 HE21 GLN B 21 7.988 10.297 1.204 1.00 0.00 H new ATOM 0 HE22 GLN B 21 9.452 9.968 2.137 1.00 0.00 H new ATOM 848 N LYS B 22 9.848 5.381 -0.642 1.00 0.00 N ATOM 849 CA LYS B 22 11.237 5.040 -0.347 1.00 0.00 C ATOM 850 C LYS B 22 11.718 3.841 -1.167 1.00 0.00 C ATOM 851 O LYS B 22 12.851 3.828 -1.644 1.00 0.00 O ATOM 852 CB LYS B 22 11.394 4.737 1.146 1.00 0.00 C ATOM 853 CG LYS B 22 10.760 3.417 1.559 1.00 0.00 C ATOM 854 CD LYS B 22 10.563 3.309 3.064 1.00 0.00 C ATOM 855 CE LYS B 22 11.808 3.729 3.835 1.00 0.00 C ATOM 856 NZ LYS B 22 11.558 3.787 5.302 1.00 0.00 N ATOM 0 H LYS B 22 9.166 4.927 -0.034 1.00 0.00 H new ATOM 0 HA LYS B 22 11.851 5.899 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS B 22 12.455 4.718 1.397 1.00 0.00 H new ATOM 0 HB3 LYS B 22 10.945 5.545 1.723 1.00 0.00 H new ATOM 0 HG2 LYS B 22 9.796 3.309 1.061 1.00 0.00 H new ATOM 0 HG3 LYS B 22 11.388 2.594 1.218 1.00 0.00 H new ATOM 0 HD2 LYS B 22 9.722 3.934 3.365 1.00 0.00 H new ATOM 0 HD3 LYS B 22 10.306 2.282 3.323 1.00 0.00 H new ATOM 0 HE2 LYS B 22 12.616 3.026 3.632 1.00 0.00 H new ATOM 0 HE3 LYS B 22 12.140 4.706 3.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 11.908 4.691 5.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 10.537 3.709 5.484 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 12.054 3.002 5.770 1.00 0.00 H new ATOM 870 N VAL B 23 10.854 2.831 -1.304 1.00 0.00 N ATOM 871 CA VAL B 23 11.183 1.606 -2.043 1.00 0.00 C ATOM 872 C VAL B 23 12.156 1.867 -3.194 1.00 0.00 C ATOM 873 O VAL B 23 13.225 1.260 -3.264 1.00 0.00 O ATOM 874 CB VAL B 23 9.922 0.920 -2.608 1.00 0.00 C ATOM 875 CG1 VAL B 23 10.287 -0.407 -3.260 1.00 0.00 C ATOM 876 CG2 VAL B 23 8.883 0.712 -1.515 1.00 0.00 C ATOM 0 H VAL B 23 9.913 2.837 -0.910 1.00 0.00 H new ATOM 0 HA VAL B 23 11.660 0.946 -1.319 1.00 0.00 H new ATOM 0 HB VAL B 23 9.489 1.572 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL B 23 9.387 -0.879 -3.654 1.00 0.00 H new ATOM 0 HG12 VAL B 23 10.990 -0.231 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL B 23 10.746 -1.062 -2.519 1.00 0.00 H new ATOM 0 HG21 VAL B 23 8.003 0.227 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL B 23 9.302 0.083 -0.729 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.599 1.677 -1.095 1.00 0.00 H new ATOM 886 N GLN B 24 11.780 2.772 -4.092 1.00 0.00 N ATOM 887 CA GLN B 24 12.621 3.108 -5.236 1.00 0.00 C ATOM 888 C GLN B 24 13.971 3.650 -4.778 1.00 0.00 C ATOM 889 O GLN B 24 15.018 3.248 -5.284 1.00 0.00 O ATOM 890 CB GLN B 24 11.923 4.133 -6.130 1.00 0.00 C ATOM 891 CG GLN B 24 11.485 5.387 -5.391 1.00 0.00 C ATOM 892 CD GLN B 24 10.218 5.989 -5.966 1.00 0.00 C ATOM 893 OE1 GLN B 24 10.105 6.189 -7.175 1.00 0.00 O ATOM 894 NE2 GLN B 24 9.256 6.280 -5.098 1.00 0.00 N ATOM 0 H GLN B 24 10.900 3.285 -4.050 1.00 0.00 H new ATOM 0 HA GLN B 24 12.790 2.196 -5.809 1.00 0.00 H new ATOM 0 HB2 GLN B 24 12.596 4.415 -6.939 1.00 0.00 H new ATOM 0 HB3 GLN B 24 11.050 3.668 -6.589 1.00 0.00 H new ATOM 0 HG2 GLN B 24 11.325 5.148 -4.340 1.00 0.00 H new ATOM 0 HG3 GLN B 24 12.285 6.126 -5.431 1.00 0.00 H new ATOM 0 HE21 GLN B 24 9.393 6.097 -4.104 1.00 0.00 H new ATOM 0 HE22 GLN B 24 8.380 6.686 -5.425 1.00 0.00 H new ATOM 903 N ALA B 25 13.939 4.563 -3.813 1.00 0.00 N ATOM 904 CA ALA B 25 15.160 5.158 -3.283 1.00 0.00 C ATOM 905 C ALA B 25 16.084 4.087 -2.711 1.00 0.00 C ATOM 906 O ALA B 25 17.303 4.157 -2.868 1.00 0.00 O ATOM 907 CB ALA B 25 14.826 6.192 -2.218 1.00 0.00 C ATOM 0 H ALA B 25 13.081 4.907 -3.382 1.00 0.00 H new ATOM 0 HA ALA B 25 15.680 5.654 -4.103 1.00 0.00 H new ATOM 0 HB1 ALA B 25 15.748 6.627 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA B 25 14.209 6.977 -2.654 1.00 0.00 H new ATOM 0 HB3 ALA B 25 14.282 5.713 -1.404 1.00 0.00 H new ATOM 913 N LEU B 26 15.495 3.094 -2.051 1.00 0.00 N ATOM 914 CA LEU B 26 16.266 2.006 -1.460 1.00 0.00 C ATOM 915 C LEU B 26 16.925 1.163 -2.547 1.00 0.00 C ATOM 916 O LEU B 26 18.147 1.017 -2.579 1.00 0.00 O ATOM 917 CB LEU B 26 15.368 1.123 -0.589 1.00 0.00 C ATOM 918 CG LEU B 26 14.438 1.879 0.362 1.00 0.00 C ATOM 919 CD1 LEU B 26 13.573 0.904 1.144 1.00 0.00 C ATOM 920 CD2 LEU B 26 15.242 2.758 1.308 1.00 0.00 C ATOM 0 H LEU B 26 14.487 3.021 -1.912 1.00 0.00 H new ATOM 0 HA LEU B 26 17.044 2.443 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.762 0.494 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU B 26 16.000 0.457 -0.001 1.00 0.00 H new ATOM 0 HG LEU B 26 13.785 2.521 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU B 26 12.917 1.458 1.816 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.970 0.316 0.452 1.00 0.00 H new ATOM 0 HD13 LEU B 26 14.210 0.238 1.726 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.564 3.288 1.977 1.00 0.00 H new ATOM 0 HD22 LEU B 26 15.919 2.137 1.895 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.820 3.480 0.731 1.00 0.00 H new ATOM 932 N ARG B 27 16.107 0.610 -3.436 1.00 0.00 N ATOM 933 CA ARG B 27 16.608 -0.219 -4.527 1.00 0.00 C ATOM 934 C ARG B 27 17.554 0.574 -5.423 1.00 0.00 C ATOM 935 O ARG B 27 18.642 0.109 -5.758 1.00 0.00 O ATOM 936 CB ARG B 27 15.443 -0.766 -5.356 1.00 0.00 C ATOM 937 CG ARG B 27 14.505 0.310 -5.878 1.00 0.00 C ATOM 938 CD ARG B 27 13.110 -0.239 -6.126 1.00 0.00 C ATOM 939 NE ARG B 27 12.540 0.260 -7.376 1.00 0.00 N ATOM 940 CZ ARG B 27 11.324 -0.054 -7.814 1.00 0.00 C ATOM 941 NH1 ARG B 27 10.544 -0.865 -7.108 1.00 0.00 N ATOM 942 NH2 ARG B 27 10.884 0.444 -8.962 1.00 0.00 N ATOM 0 H ARG B 27 15.093 0.721 -3.423 1.00 0.00 H new ATOM 0 HA ARG B 27 17.160 -1.052 -4.092 1.00 0.00 H new ATOM 0 HB2 ARG B 27 15.842 -1.328 -6.200 1.00 0.00 H new ATOM 0 HB3 ARG B 27 14.873 -1.468 -4.747 1.00 0.00 H new ATOM 0 HG2 ARG B 27 14.453 1.128 -5.160 1.00 0.00 H new ATOM 0 HG3 ARG B 27 14.904 0.724 -6.804 1.00 0.00 H new ATOM 0 HD2 ARG B 27 13.149 -1.328 -6.154 1.00 0.00 H new ATOM 0 HD3 ARG B 27 12.459 0.035 -5.296 1.00 0.00 H new ATOM 0 HE ARG B 27 13.108 0.886 -7.946 1.00 0.00 H new ATOM 0 HH11 ARG B 27 10.877 -1.251 -6.224 1.00 0.00 H new ATOM 0 HH12 ARG B 27 9.613 -1.102 -7.450 1.00 0.00 H new ATOM 0 HH21 ARG B 27 11.478 1.067 -9.509 1.00 0.00 H new ATOM 0 HH22 ARG B 27 9.952 0.203 -9.298 1.00 0.00 H new