USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 594 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 12 HIS : no HE2:sc= -5.06! C(o=-4.3!,f=-5.5!) USER MOD Set 1.2: B 16 HIS : no HE2:sc= -0.306 X(o=-4.3,f=-4.3) USER MOD Set 1.3: B 40 CYS SG : rot -146:sc= 0.406 USER MOD Set 1.4: B 43 CYS SG : rot 135:sc= 0.646 USER MOD Set 2.1: A 35 GLN :FLIP amide:sc= -0.311 F(o=-1.3,f=-0.68) USER MOD Set 2.2: B 35 GLN :FLIP amide:sc= -0.369 F(o=-1.3,f=-0.68) USER MOD Set 3.1: A 12 HIS : no HE2:sc= -4.96! C(o=-4.2!,f=-5.3!) USER MOD Set 3.2: A 16 HIS : no HE2:sc= -0.316 X(o=-4.2,f=-4.3) USER MOD Set 3.3: A 40 CYS SG : rot -144:sc= 0.405 USER MOD Set 3.4: A 43 CYS SG : rot 134:sc= 0.624 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.107 USER MOD Single : A 18 ASN : amide:sc= -0.013 K(o=-0.013,f=-1.2) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 92:sc= 1.28 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0.298 (180deg=0.267) USER MOD Single : A 30 ASN : amide:sc= -0.067 X(o=-0.067,f=-0.19) USER MOD Single : A 38 ASN : amide:sc= 0.41 K(o=0.41,f=-0.42) USER MOD Single : A 39 SER OG : rot 83:sc= 0.595 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -1.31 X(o=-1.3,f=-0.87) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= -0.0832 USER MOD Single : B 18 ASN : amide:sc= -0.0397 K(o=-0.04,f=-1.2) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 SER OG : rot 78:sc= 1.17 USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : B 25 LYS NZ :NH3+ 171:sc= 0.305 (180deg=0.268) USER MOD Single : B 30 ASN : amide:sc= -0.0348 X(o=-0.035,f=-0.14) USER MOD Single : B 38 ASN : amide:sc= 0.424 K(o=0.42,f=-0.43) USER MOD Single : B 39 SER OG : rot 83:sc= 0.597 USER MOD Single : B 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 44 GLN : amide:sc= -1.34 X(o=-1.3,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 98 N GLU A 6 -9.492 -7.366 -11.379 1.00 0.00 N ATOM 99 CA GLU A 6 -10.049 -6.787 -12.599 1.00 0.00 C ATOM 100 C GLU A 6 -11.577 -6.896 -12.608 1.00 0.00 C ATOM 101 O GLU A 6 -12.271 -5.881 -12.680 1.00 0.00 O ATOM 102 CB GLU A 6 -9.458 -7.472 -13.837 1.00 0.00 C ATOM 103 CG GLU A 6 -8.375 -6.655 -14.524 1.00 0.00 C ATOM 104 CD GLU A 6 -8.910 -5.838 -15.687 1.00 0.00 C ATOM 105 OE1 GLU A 6 -9.392 -4.711 -15.448 1.00 0.00 O ATOM 106 OE2 GLU A 6 -8.845 -6.327 -16.834 1.00 0.00 O ATOM 0 HA GLU A 6 -9.782 -5.730 -12.624 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.044 -8.437 -13.545 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.259 -7.671 -14.549 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.913 -5.987 -13.797 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.593 -7.324 -14.884 1.00 0.00 H new ATOM 113 N PRO A 7 -12.129 -8.128 -12.531 1.00 0.00 N ATOM 114 CA PRO A 7 -13.583 -8.344 -12.528 1.00 0.00 C ATOM 115 C PRO A 7 -14.325 -7.382 -11.603 1.00 0.00 C ATOM 116 O PRO A 7 -15.454 -6.985 -11.882 1.00 0.00 O ATOM 117 CB PRO A 7 -13.720 -9.776 -12.014 1.00 0.00 C ATOM 118 CG PRO A 7 -12.466 -10.456 -12.446 1.00 0.00 C ATOM 119 CD PRO A 7 -11.387 -9.404 -12.442 1.00 0.00 C ATOM 0 HA PRO A 7 -14.017 -8.176 -13.514 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.829 -9.799 -10.930 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.600 -10.264 -12.433 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.214 -11.273 -11.769 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.582 -10.889 -13.439 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.785 -9.453 -11.534 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.705 -9.529 -13.283 1.00 0.00 H new ATOM 127 N ALA A 8 -13.679 -7.012 -10.501 1.00 0.00 N ATOM 128 CA ALA A 8 -14.278 -6.098 -9.537 1.00 0.00 C ATOM 129 C ALA A 8 -14.390 -4.689 -10.107 1.00 0.00 C ATOM 130 O ALA A 8 -15.325 -3.954 -9.787 1.00 0.00 O ATOM 131 CB ALA A 8 -13.472 -6.088 -8.246 1.00 0.00 C ATOM 0 H ALA A 8 -12.742 -7.331 -10.255 1.00 0.00 H new ATOM 0 HA ALA A 8 -15.286 -6.451 -9.319 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.931 -5.401 -7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.454 -7.091 -7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.452 -5.765 -8.456 1.00 0.00 H new ATOM 137 N GLN A 9 -13.437 -4.318 -10.954 1.00 0.00 N ATOM 138 CA GLN A 9 -13.440 -2.995 -11.568 1.00 0.00 C ATOM 139 C GLN A 9 -14.621 -2.847 -12.519 1.00 0.00 C ATOM 140 O GLN A 9 -15.247 -1.789 -12.588 1.00 0.00 O ATOM 141 CB GLN A 9 -12.128 -2.751 -12.314 1.00 0.00 C ATOM 142 CG GLN A 9 -11.032 -2.163 -11.440 1.00 0.00 C ATOM 143 CD GLN A 9 -9.649 -2.372 -12.021 1.00 0.00 C ATOM 144 OE1 GLN A 9 -9.237 -1.668 -12.945 1.00 0.00 O ATOM 145 NE2 GLN A 9 -8.923 -3.345 -11.485 1.00 0.00 N ATOM 0 H GLN A 9 -12.655 -4.912 -11.231 1.00 0.00 H new ATOM 0 HA GLN A 9 -13.537 -2.251 -10.777 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.779 -3.693 -12.736 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -12.315 -2.077 -13.150 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -11.210 -1.096 -11.310 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -11.079 -2.617 -10.450 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.303 -3.904 -10.721 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.984 -3.534 -11.837 1.00 0.00 H new ATOM 154 N GLU A 10 -14.924 -3.916 -13.248 1.00 0.00 N ATOM 155 CA GLU A 10 -16.036 -3.905 -14.191 1.00 0.00 C ATOM 156 C GLU A 10 -17.361 -3.728 -13.457 1.00 0.00 C ATOM 157 O GLU A 10 -18.285 -3.092 -13.963 1.00 0.00 O ATOM 158 CB GLU A 10 -16.058 -5.201 -15.006 1.00 0.00 C ATOM 159 CG GLU A 10 -14.689 -5.630 -15.506 1.00 0.00 C ATOM 160 CD GLU A 10 -14.743 -6.251 -16.890 1.00 0.00 C ATOM 161 OE1 GLU A 10 -15.138 -7.430 -16.996 1.00 0.00 O ATOM 162 OE2 GLU A 10 -14.391 -5.556 -17.866 1.00 0.00 O ATOM 0 H GLU A 10 -14.416 -4.799 -13.204 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.899 -3.064 -14.870 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.478 -5.999 -14.393 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.723 -5.072 -15.860 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.026 -4.765 -15.525 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.259 -6.347 -14.806 1.00 0.00 H new ATOM 169 N GLU A 11 -17.441 -4.294 -12.257 1.00 0.00 N ATOM 170 CA GLU A 11 -18.648 -4.199 -11.441 1.00 0.00 C ATOM 171 C GLU A 11 -18.872 -2.768 -10.974 1.00 0.00 C ATOM 172 O GLU A 11 -19.992 -2.261 -11.029 1.00 0.00 O ATOM 173 CB GLU A 11 -18.547 -5.137 -10.236 1.00 0.00 C ATOM 174 CG GLU A 11 -19.765 -5.100 -9.325 1.00 0.00 C ATOM 175 CD GLU A 11 -20.904 -5.959 -9.837 1.00 0.00 C ATOM 176 OE1 GLU A 11 -20.665 -7.152 -10.123 1.00 0.00 O ATOM 177 OE2 GLU A 11 -22.035 -5.442 -9.951 1.00 0.00 O ATOM 0 H GLU A 11 -16.683 -4.824 -11.827 1.00 0.00 H new ATOM 0 HA GLU A 11 -19.499 -4.499 -12.052 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.402 -6.157 -10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.663 -4.874 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.479 -5.438 -8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -20.108 -4.070 -9.225 1.00 0.00 H new ATOM 184 N HIS A 12 -17.807 -2.115 -10.518 1.00 0.00 N ATOM 185 CA HIS A 12 -17.925 -0.742 -10.052 1.00 0.00 C ATOM 186 C HIS A 12 -18.319 0.182 -11.201 1.00 0.00 C ATOM 187 O HIS A 12 -19.122 1.095 -11.029 1.00 0.00 O ATOM 188 CB HIS A 12 -16.621 -0.247 -9.404 1.00 0.00 C ATOM 189 CG HIS A 12 -16.756 1.147 -8.877 1.00 0.00 C ATOM 190 ND1 HIS A 12 -16.719 1.484 -7.540 1.00 0.00 N ATOM 191 CD2 HIS A 12 -17.057 2.281 -9.544 1.00 0.00 C ATOM 192 CE1 HIS A 12 -17.016 2.791 -7.443 1.00 0.00 C ATOM 193 NE2 HIS A 12 -17.231 3.314 -8.635 1.00 0.00 N ATOM 0 H HIS A 12 -16.868 -2.509 -10.462 1.00 0.00 H new ATOM 0 HA HIS A 12 -18.707 -0.723 -9.292 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -16.342 -0.917 -8.591 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.815 -0.282 -10.137 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -16.505 0.855 -6.766 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -17.148 2.370 -10.616 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -17.071 3.339 -6.514 1.00 0.00 H new ATOM 201 N GLU A 13 -17.738 -0.048 -12.369 1.00 0.00 N ATOM 202 CA GLU A 13 -18.024 0.778 -13.538 1.00 0.00 C ATOM 203 C GLU A 13 -19.481 0.647 -13.995 1.00 0.00 C ATOM 204 O GLU A 13 -19.936 1.425 -14.833 1.00 0.00 O ATOM 205 CB GLU A 13 -17.089 0.400 -14.688 1.00 0.00 C ATOM 206 CG GLU A 13 -15.627 0.710 -14.410 1.00 0.00 C ATOM 207 CD GLU A 13 -15.231 2.102 -14.860 1.00 0.00 C ATOM 208 OE1 GLU A 13 -16.018 3.045 -14.629 1.00 0.00 O ATOM 209 OE2 GLU A 13 -14.136 2.250 -15.440 1.00 0.00 O ATOM 0 H GLU A 13 -17.067 -0.798 -12.535 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.858 1.816 -13.250 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.193 -0.665 -14.895 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.400 0.931 -15.588 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.435 0.609 -13.342 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.001 -0.024 -14.917 1.00 0.00 H new ATOM 216 N LYS A 14 -20.205 -0.342 -13.471 1.00 0.00 N ATOM 217 CA LYS A 14 -21.592 -0.554 -13.873 1.00 0.00 C ATOM 218 C LYS A 14 -22.595 -0.057 -12.825 1.00 0.00 C ATOM 219 O LYS A 14 -23.709 0.335 -13.173 1.00 0.00 O ATOM 220 CB LYS A 14 -21.827 -2.037 -14.155 1.00 0.00 C ATOM 221 CG LYS A 14 -22.906 -2.297 -15.193 1.00 0.00 C ATOM 222 CD LYS A 14 -23.089 -3.785 -15.440 1.00 0.00 C ATOM 223 CE LYS A 14 -21.944 -4.360 -16.256 1.00 0.00 C ATOM 224 NZ LYS A 14 -22.219 -4.300 -17.720 1.00 0.00 N ATOM 0 H LYS A 14 -19.857 -1.002 -12.775 1.00 0.00 H new ATOM 0 HA LYS A 14 -21.758 0.031 -14.777 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -20.893 -2.486 -14.494 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -22.102 -2.536 -13.225 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -23.848 -1.864 -14.857 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -22.642 -1.801 -16.127 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -23.155 -4.308 -14.486 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -24.030 -3.955 -15.962 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -21.029 -3.810 -16.036 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -21.772 -5.395 -15.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.414 -4.702 -18.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -23.078 -4.846 -17.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -22.358 -3.310 -18.007 1.00 0.00 H new ATOM 238 N TYR A 15 -22.218 -0.089 -11.547 1.00 0.00 N ATOM 239 CA TYR A 15 -23.130 0.350 -10.487 1.00 0.00 C ATOM 240 C TYR A 15 -22.407 1.104 -9.363 1.00 0.00 C ATOM 241 O TYR A 15 -22.927 1.209 -8.253 1.00 0.00 O ATOM 242 CB TYR A 15 -23.853 -0.861 -9.896 1.00 0.00 C ATOM 243 CG TYR A 15 -24.405 -1.811 -10.935 1.00 0.00 C ATOM 244 CD1 TYR A 15 -25.657 -1.595 -11.499 1.00 0.00 C ATOM 245 CD2 TYR A 15 -23.680 -2.924 -11.351 1.00 0.00 C ATOM 246 CE1 TYR A 15 -26.173 -2.461 -12.445 1.00 0.00 C ATOM 247 CE2 TYR A 15 -24.191 -3.793 -12.297 1.00 0.00 C ATOM 248 CZ TYR A 15 -25.437 -3.557 -12.840 1.00 0.00 C ATOM 249 OH TYR A 15 -25.949 -4.421 -13.782 1.00 0.00 O ATOM 0 H TYR A 15 -21.305 -0.408 -11.223 1.00 0.00 H new ATOM 0 HA TYR A 15 -23.842 1.039 -10.941 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -23.163 -1.405 -9.251 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -24.671 -0.512 -9.266 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -26.236 -0.736 -11.193 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -22.704 -3.111 -10.929 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -27.148 -2.279 -12.872 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -23.617 -4.653 -12.610 1.00 0.00 H new ATOM 0 HH TYR A 15 -25.305 -5.141 -13.950 1.00 0.00 H new ATOM 259 N HIS A 16 -21.211 1.621 -9.652 1.00 0.00 N ATOM 260 CA HIS A 16 -20.401 2.361 -8.670 1.00 0.00 C ATOM 261 C HIS A 16 -20.432 1.710 -7.280 1.00 0.00 C ATOM 262 O HIS A 16 -20.602 2.389 -6.267 1.00 0.00 O ATOM 263 CB HIS A 16 -20.842 3.825 -8.575 1.00 0.00 C ATOM 264 CG HIS A 16 -20.626 4.608 -9.837 1.00 0.00 C ATOM 265 ND1 HIS A 16 -19.421 5.213 -10.137 1.00 0.00 N ATOM 266 CD2 HIS A 16 -21.503 4.863 -10.839 1.00 0.00 C ATOM 267 CE1 HIS A 16 -19.594 5.813 -11.301 1.00 0.00 C ATOM 268 NE2 HIS A 16 -20.840 5.629 -11.766 1.00 0.00 N ATOM 0 H HIS A 16 -20.774 1.541 -10.570 1.00 0.00 H new ATOM 0 HA HIS A 16 -19.373 2.326 -9.030 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.900 3.859 -8.314 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -20.298 4.306 -7.763 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -18.570 5.199 -9.574 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -22.528 4.528 -10.897 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -18.830 6.379 -11.813 1.00 0.00 H new ATOM 276 N SER A 17 -20.269 0.392 -7.249 1.00 0.00 N ATOM 277 CA SER A 17 -20.278 -0.356 -5.994 1.00 0.00 C ATOM 278 C SER A 17 -19.196 0.151 -5.044 1.00 0.00 C ATOM 279 O SER A 17 -18.117 0.557 -5.474 1.00 0.00 O ATOM 280 CB SER A 17 -20.071 -1.847 -6.269 1.00 0.00 C ATOM 281 OG SER A 17 -21.202 -2.408 -6.913 1.00 0.00 O ATOM 0 H SER A 17 -20.129 -0.183 -8.080 1.00 0.00 H new ATOM 0 HA SER A 17 -21.248 -0.207 -5.519 1.00 0.00 H new ATOM 0 HB2 SER A 17 -19.188 -1.986 -6.892 1.00 0.00 H new ATOM 0 HB3 SER A 17 -19.885 -2.371 -5.331 1.00 0.00 H new ATOM 0 HG SER A 17 -21.045 -3.361 -7.079 1.00 0.00 H new ATOM 287 N ASN A 18 -19.495 0.126 -3.747 1.00 0.00 N ATOM 288 CA ASN A 18 -18.551 0.585 -2.734 1.00 0.00 C ATOM 289 C ASN A 18 -17.525 -0.499 -2.412 1.00 0.00 C ATOM 290 O ASN A 18 -17.647 -1.637 -2.862 1.00 0.00 O ATOM 291 CB ASN A 18 -19.295 0.995 -1.462 1.00 0.00 C ATOM 292 CG ASN A 18 -20.045 2.302 -1.628 1.00 0.00 C ATOM 293 OD1 ASN A 18 -19.634 3.173 -2.392 1.00 0.00 O ATOM 294 ND2 ASN A 18 -21.153 2.445 -0.908 1.00 0.00 N ATOM 0 H ASN A 18 -20.384 -0.207 -3.374 1.00 0.00 H new ATOM 0 HA ASN A 18 -18.023 1.451 -3.132 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.997 0.209 -1.186 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -18.583 1.089 -0.642 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -21.699 3.304 -0.977 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -21.457 1.696 -0.286 1.00 0.00 H new ATOM 301 N VAL A 19 -16.515 -0.133 -1.624 1.00 0.00 N ATOM 302 CA VAL A 19 -15.462 -1.070 -1.230 1.00 0.00 C ATOM 303 C VAL A 19 -16.048 -2.333 -0.605 1.00 0.00 C ATOM 304 O VAL A 19 -15.729 -3.448 -1.017 1.00 0.00 O ATOM 305 CB VAL A 19 -14.488 -0.416 -0.227 1.00 0.00 C ATOM 306 CG1 VAL A 19 -13.337 -1.354 0.113 1.00 0.00 C ATOM 307 CG2 VAL A 19 -13.964 0.898 -0.781 1.00 0.00 C ATOM 0 H VAL A 19 -16.403 0.807 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 19 -14.920 -1.341 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.034 -0.213 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.667 -0.866 0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.731 -2.268 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.787 -1.600 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.278 1.348 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.439 0.714 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.798 1.576 -0.960 1.00 0.00 H new ATOM 317 N LYS A 20 -16.905 -2.147 0.395 1.00 0.00 N ATOM 318 CA LYS A 20 -17.535 -3.270 1.083 1.00 0.00 C ATOM 319 C LYS A 20 -18.267 -4.179 0.100 1.00 0.00 C ATOM 320 O LYS A 20 -18.376 -5.386 0.320 1.00 0.00 O ATOM 321 CB LYS A 20 -18.512 -2.761 2.145 1.00 0.00 C ATOM 322 CG LYS A 20 -18.866 -3.807 3.191 1.00 0.00 C ATOM 323 CD LYS A 20 -20.369 -3.919 3.395 1.00 0.00 C ATOM 324 CE LYS A 20 -21.058 -4.472 2.158 1.00 0.00 C ATOM 325 NZ LYS A 20 -22.523 -4.660 2.367 1.00 0.00 N ATOM 0 H LYS A 20 -17.179 -1.230 0.747 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.748 -3.850 1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.077 -1.894 2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.426 -2.424 1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.468 -4.775 2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.389 -3.550 4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.575 -4.566 4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -20.779 -2.938 3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -20.896 -3.794 1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.606 -5.426 1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.952 -5.039 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.679 -5.327 3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -22.961 -3.746 2.599 1.00 0.00 H new ATOM 339 N GLU A 21 -18.762 -3.596 -0.985 1.00 0.00 N ATOM 340 CA GLU A 21 -19.476 -4.359 -1.999 1.00 0.00 C ATOM 341 C GLU A 21 -18.505 -5.186 -2.834 1.00 0.00 C ATOM 342 O GLU A 21 -18.711 -6.382 -3.041 1.00 0.00 O ATOM 343 CB GLU A 21 -20.280 -3.423 -2.904 1.00 0.00 C ATOM 344 CG GLU A 21 -21.119 -4.154 -3.939 1.00 0.00 C ATOM 345 CD GLU A 21 -22.331 -4.836 -3.334 1.00 0.00 C ATOM 346 OE1 GLU A 21 -22.924 -4.265 -2.394 1.00 0.00 O ATOM 347 OE2 GLU A 21 -22.684 -5.940 -3.797 1.00 0.00 O ATOM 0 H GLU A 21 -18.682 -2.599 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.164 -5.037 -1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.934 -2.807 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.594 -2.747 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -21.448 -3.446 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.501 -4.898 -4.441 1.00 0.00 H new ATOM 354 N LEU A 22 -17.440 -4.545 -3.310 1.00 0.00 N ATOM 355 CA LEU A 22 -16.439 -5.232 -4.118 1.00 0.00 C ATOM 356 C LEU A 22 -15.700 -6.278 -3.294 1.00 0.00 C ATOM 357 O LEU A 22 -15.365 -7.351 -3.794 1.00 0.00 O ATOM 358 CB LEU A 22 -15.429 -4.231 -4.699 1.00 0.00 C ATOM 359 CG LEU A 22 -15.914 -3.400 -5.896 1.00 0.00 C ATOM 360 CD1 LEU A 22 -16.621 -4.270 -6.925 1.00 0.00 C ATOM 361 CD2 LEU A 22 -16.821 -2.272 -5.432 1.00 0.00 C ATOM 0 H LEU A 22 -17.250 -3.556 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 22 -16.960 -5.729 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -15.129 -3.547 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.537 -4.780 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.038 -2.964 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.952 -3.651 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.934 -5.033 -7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.485 -4.749 -6.464 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -17.154 -1.695 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -17.687 -2.689 -4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -16.273 -1.622 -4.750 1.00 0.00 H new ATOM 373 N SER A 23 -15.439 -5.959 -2.028 1.00 0.00 N ATOM 374 CA SER A 23 -14.728 -6.873 -1.144 1.00 0.00 C ATOM 375 C SER A 23 -15.620 -8.029 -0.698 1.00 0.00 C ATOM 376 O SER A 23 -15.168 -9.172 -0.601 1.00 0.00 O ATOM 377 CB SER A 23 -14.201 -6.123 0.080 1.00 0.00 C ATOM 378 OG SER A 23 -13.824 -7.021 1.112 1.00 0.00 O ATOM 0 H SER A 23 -15.709 -5.076 -1.594 1.00 0.00 H new ATOM 0 HA SER A 23 -13.890 -7.288 -1.704 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.344 -5.513 -0.206 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.967 -5.442 0.450 1.00 0.00 H new ATOM 0 HG SER A 23 -12.873 -7.241 1.023 1.00 0.00 H new ATOM 384 N HIS A 24 -16.883 -7.727 -0.413 1.00 0.00 N ATOM 385 CA HIS A 24 -17.829 -8.738 0.039 1.00 0.00 C ATOM 386 C HIS A 24 -18.387 -9.549 -1.130 1.00 0.00 C ATOM 387 O HIS A 24 -18.748 -10.714 -0.968 1.00 0.00 O ATOM 388 CB HIS A 24 -18.966 -8.068 0.812 1.00 0.00 C ATOM 389 CG HIS A 24 -20.011 -9.017 1.308 1.00 0.00 C ATOM 390 ND1 HIS A 24 -19.679 -10.178 1.961 1.00 0.00 N ATOM 391 CD2 HIS A 24 -21.357 -8.925 1.218 1.00 0.00 C ATOM 392 CE1 HIS A 24 -20.826 -10.766 2.254 1.00 0.00 C ATOM 393 NE2 HIS A 24 -21.871 -10.043 1.823 1.00 0.00 N ATOM 0 H HIS A 24 -17.274 -6.788 -0.488 1.00 0.00 H new ATOM 0 HA HIS A 24 -17.301 -9.430 0.695 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -18.546 -7.531 1.662 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -19.440 -7.326 0.169 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -21.919 -8.125 0.758 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -20.911 -11.709 2.774 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -22.858 -10.280 1.926 1.00 0.00 H new ATOM 401 N LYS A 25 -18.470 -8.928 -2.302 1.00 0.00 N ATOM 402 CA LYS A 25 -18.998 -9.605 -3.481 1.00 0.00 C ATOM 403 C LYS A 25 -17.949 -10.510 -4.120 1.00 0.00 C ATOM 404 O LYS A 25 -18.223 -11.665 -4.443 1.00 0.00 O ATOM 405 CB LYS A 25 -19.495 -8.585 -4.506 1.00 0.00 C ATOM 406 CG LYS A 25 -20.333 -9.198 -5.614 1.00 0.00 C ATOM 407 CD LYS A 25 -19.461 -9.761 -6.727 1.00 0.00 C ATOM 408 CE LYS A 25 -20.108 -9.575 -8.088 1.00 0.00 C ATOM 409 NZ LYS A 25 -19.630 -10.580 -9.076 1.00 0.00 N ATOM 0 H LYS A 25 -18.180 -7.963 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.834 -10.226 -3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.085 -7.825 -3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.637 -8.079 -4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.957 -9.991 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.005 -8.444 -6.023 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.489 -9.268 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.282 -10.822 -6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.191 -9.652 -7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.892 -8.573 -8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.192 -10.505 -9.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -18.628 -10.404 -9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -19.735 -11.535 -8.678 1.00 0.00 H new ATOM 423 N PHE A 26 -16.747 -9.974 -4.310 1.00 0.00 N ATOM 424 CA PHE A 26 -15.661 -10.733 -4.920 1.00 0.00 C ATOM 425 C PHE A 26 -14.774 -11.383 -3.862 1.00 0.00 C ATOM 426 O PHE A 26 -14.696 -12.609 -3.773 1.00 0.00 O ATOM 427 CB PHE A 26 -14.827 -9.822 -5.816 1.00 0.00 C ATOM 428 CG PHE A 26 -15.597 -9.269 -6.978 1.00 0.00 C ATOM 429 CD1 PHE A 26 -16.290 -8.076 -6.860 1.00 0.00 C ATOM 430 CD2 PHE A 26 -15.637 -9.948 -8.184 1.00 0.00 C ATOM 431 CE1 PHE A 26 -17.005 -7.567 -7.926 1.00 0.00 C ATOM 432 CE2 PHE A 26 -16.350 -9.442 -9.254 1.00 0.00 C ATOM 433 CZ PHE A 26 -17.037 -8.251 -9.125 1.00 0.00 C ATOM 0 H PHE A 26 -16.501 -9.019 -4.051 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.101 -11.527 -5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.437 -8.996 -5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.968 -10.379 -6.190 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.271 -7.538 -5.924 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.106 -10.882 -8.289 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -17.539 -6.634 -7.822 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.370 -9.978 -10.191 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.598 -7.856 -9.959 1.00 0.00 H new ATOM 443 N GLY A 27 -14.102 -10.557 -3.067 1.00 0.00 N ATOM 444 CA GLY A 27 -13.227 -11.076 -2.032 1.00 0.00 C ATOM 445 C GLY A 27 -11.862 -10.415 -2.048 1.00 0.00 C ATOM 446 O GLY A 27 -10.876 -11.021 -2.468 1.00 0.00 O ATOM 0 H GLY A 27 -14.147 -9.539 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.691 -10.924 -1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.109 -12.151 -2.164 1.00 0.00 H new ATOM 450 N ILE A 28 -11.807 -9.169 -1.588 1.00 0.00 N ATOM 451 CA ILE A 28 -10.557 -8.421 -1.550 1.00 0.00 C ATOM 452 C ILE A 28 -10.523 -7.477 -0.348 1.00 0.00 C ATOM 453 O ILE A 28 -11.561 -6.962 0.068 1.00 0.00 O ATOM 454 CB ILE A 28 -10.352 -7.602 -2.838 1.00 0.00 C ATOM 455 CG1 ILE A 28 -11.615 -6.802 -3.167 1.00 0.00 C ATOM 456 CG2 ILE A 28 -9.982 -8.517 -3.996 1.00 0.00 C ATOM 457 CD1 ILE A 28 -11.470 -5.917 -4.387 1.00 0.00 C ATOM 0 H ILE A 28 -12.615 -8.656 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.752 -9.150 -1.463 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.532 -6.902 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.442 -7.494 -3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.877 -6.184 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.841 -7.923 -4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.058 -9.046 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.782 -9.239 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.403 -5.380 -4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.664 -5.201 -4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.238 -6.532 -5.257 1.00 0.00 H new ATOM 469 N PRO A 29 -9.330 -7.229 0.230 1.00 0.00 N ATOM 470 CA PRO A 29 -9.190 -6.336 1.385 1.00 0.00 C ATOM 471 C PRO A 29 -9.732 -4.941 1.098 1.00 0.00 C ATOM 472 O PRO A 29 -10.211 -4.664 -0.003 1.00 0.00 O ATOM 473 CB PRO A 29 -7.676 -6.288 1.636 1.00 0.00 C ATOM 474 CG PRO A 29 -7.053 -6.801 0.381 1.00 0.00 C ATOM 475 CD PRO A 29 -8.031 -7.786 -0.187 1.00 0.00 C ATOM 0 HA PRO A 29 -9.756 -6.694 2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.345 -5.272 1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.399 -6.903 2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.863 -5.989 -0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.094 -7.276 0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.950 -7.857 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.874 -8.788 0.211 1.00 0.00 H new ATOM 483 N ASN A 30 -9.656 -4.065 2.093 1.00 0.00 N ATOM 484 CA ASN A 30 -10.143 -2.698 1.946 1.00 0.00 C ATOM 485 C ASN A 30 -9.206 -1.876 1.068 1.00 0.00 C ATOM 486 O ASN A 30 -9.652 -1.049 0.272 1.00 0.00 O ATOM 487 CB ASN A 30 -10.290 -2.030 3.316 1.00 0.00 C ATOM 488 CG ASN A 30 -10.947 -2.935 4.344 1.00 0.00 C ATOM 489 OD1 ASN A 30 -10.266 -3.624 5.103 1.00 0.00 O ATOM 490 ND2 ASN A 30 -12.274 -2.939 4.369 1.00 0.00 N ATOM 0 H ASN A 30 -9.262 -4.276 3.010 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.120 -2.742 1.465 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.306 -1.732 3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.880 -1.120 3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.770 -3.530 5.037 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.798 -2.351 3.721 1.00 0.00 H new ATOM 497 N LEU A 31 -7.906 -2.109 1.218 1.00 0.00 N ATOM 498 CA LEU A 31 -6.907 -1.388 0.438 1.00 0.00 C ATOM 499 C LEU A 31 -7.110 -1.614 -1.058 1.00 0.00 C ATOM 500 O LEU A 31 -7.282 -0.663 -1.822 1.00 0.00 O ATOM 501 CB LEU A 31 -5.499 -1.824 0.846 1.00 0.00 C ATOM 502 CG LEU A 31 -4.364 -1.113 0.108 1.00 0.00 C ATOM 503 CD1 LEU A 31 -4.309 0.354 0.504 1.00 0.00 C ATOM 504 CD2 LEU A 31 -3.034 -1.798 0.389 1.00 0.00 C ATOM 0 H LEU A 31 -7.520 -2.790 1.872 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.025 -0.324 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.378 -1.655 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.405 -2.897 0.680 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.558 -1.171 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.496 0.845 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.253 0.835 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.139 0.435 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.238 -1.279 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.831 -1.772 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.080 -2.834 0.053 1.00 0.00 H new ATOM 516 N VAL A 32 -7.088 -2.879 -1.469 1.00 0.00 N ATOM 517 CA VAL A 32 -7.270 -3.231 -2.873 1.00 0.00 C ATOM 518 C VAL A 32 -8.614 -2.729 -3.398 1.00 0.00 C ATOM 519 O VAL A 32 -8.694 -2.184 -4.499 1.00 0.00 O ATOM 520 CB VAL A 32 -7.174 -4.757 -3.088 1.00 0.00 C ATOM 521 CG1 VAL A 32 -7.281 -5.109 -4.566 1.00 0.00 C ATOM 522 CG2 VAL A 32 -5.879 -5.300 -2.503 1.00 0.00 C ATOM 0 H VAL A 32 -6.946 -3.677 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.467 -2.746 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.011 -5.223 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.210 -6.190 -4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.238 -4.762 -4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.471 -4.628 -5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.830 -6.377 -2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.030 -4.821 -2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.847 -5.092 -1.434 1.00 0.00 H new ATOM 532 N ALA A 33 -9.665 -2.917 -2.610 1.00 0.00 N ATOM 533 CA ALA A 33 -10.997 -2.480 -3.009 1.00 0.00 C ATOM 534 C ALA A 33 -11.063 -0.962 -3.123 1.00 0.00 C ATOM 535 O ALA A 33 -11.728 -0.423 -4.007 1.00 0.00 O ATOM 536 CB ALA A 33 -12.038 -2.986 -2.023 1.00 0.00 C ATOM 0 H ALA A 33 -9.622 -3.367 -1.696 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.212 -2.901 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.027 -2.651 -2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.015 -4.075 -1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.819 -2.594 -1.030 1.00 0.00 H new ATOM 542 N ARG A 34 -10.362 -0.275 -2.225 1.00 0.00 N ATOM 543 CA ARG A 34 -10.338 1.183 -2.226 1.00 0.00 C ATOM 544 C ARG A 34 -9.766 1.714 -3.536 1.00 0.00 C ATOM 545 O ARG A 34 -10.198 2.751 -4.040 1.00 0.00 O ATOM 546 CB ARG A 34 -9.509 1.700 -1.050 1.00 0.00 C ATOM 547 CG ARG A 34 -10.321 1.927 0.214 1.00 0.00 C ATOM 548 CD ARG A 34 -9.421 2.105 1.428 1.00 0.00 C ATOM 549 NE ARG A 34 -10.163 2.568 2.600 1.00 0.00 N ATOM 550 CZ ARG A 34 -9.602 2.850 3.776 1.00 0.00 C ATOM 551 NH1 ARG A 34 -8.290 2.721 3.949 1.00 0.00 N ATOM 552 NH2 ARG A 34 -10.356 3.266 4.784 1.00 0.00 N ATOM 0 H ARG A 34 -9.803 -0.705 -1.488 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.363 1.540 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.712 0.987 -0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.031 2.636 -1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.948 2.810 0.092 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.989 1.081 0.376 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.933 1.158 1.659 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.633 2.820 1.193 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.173 2.682 2.512 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.703 2.404 3.178 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.871 2.939 4.853 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.363 3.370 4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.929 3.482 5.685 1.00 0.00 H new ATOM 566 N GLN A 35 -8.790 0.994 -4.084 1.00 0.00 N ATOM 567 CA GLN A 35 -8.154 1.389 -5.336 1.00 0.00 C ATOM 568 C GLN A 35 -9.180 1.499 -6.458 1.00 0.00 C ATOM 569 O GLN A 35 -9.109 2.402 -7.295 1.00 0.00 O ATOM 570 CB GLN A 35 -7.067 0.380 -5.715 1.00 0.00 C ATOM 571 CG GLN A 35 -5.886 0.375 -4.756 1.00 0.00 C ATOM 572 CD GLN A 35 -4.553 0.538 -5.462 1.00 0.00 C ATOM 573 OE1 GLN A 35 -3.581 -0.288 -5.089 1.00 0.00 O flip ATOM 574 NE2 GLN A 35 -4.398 1.397 -6.331 1.00 0.00 N flip ATOM 0 H GLN A 35 -8.423 0.133 -3.679 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.698 2.369 -5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.504 -0.618 -5.747 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.709 0.604 -6.720 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.009 1.180 -4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.883 -0.560 -4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.172 2.010 -6.586 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.495 1.495 -6.796 1.00 0.00 H new ATOM 583 N ILE A 36 -10.139 0.582 -6.467 1.00 0.00 N ATOM 584 CA ILE A 36 -11.187 0.579 -7.480 1.00 0.00 C ATOM 585 C ILE A 36 -12.036 1.841 -7.386 1.00 0.00 C ATOM 586 O ILE A 36 -12.219 2.554 -8.373 1.00 0.00 O ATOM 587 CB ILE A 36 -12.095 -0.665 -7.343 1.00 0.00 C ATOM 588 CG1 ILE A 36 -11.249 -1.940 -7.345 1.00 0.00 C ATOM 589 CG2 ILE A 36 -13.129 -0.706 -8.463 1.00 0.00 C ATOM 590 CD1 ILE A 36 -12.064 -3.211 -7.243 1.00 0.00 C ATOM 0 H ILE A 36 -10.213 -0.171 -5.783 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.697 0.549 -8.453 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.627 -0.601 -6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.657 -1.971 -8.260 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.547 -1.901 -6.512 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -13.757 -1.589 -8.347 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.750 0.189 -8.418 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.621 -0.747 -9.426 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.397 -4.073 -7.250 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.636 -3.203 -6.315 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.747 -3.274 -8.090 1.00 0.00 H new ATOM 602 N VAL A 37 -12.547 2.118 -6.191 1.00 0.00 N ATOM 603 CA VAL A 37 -13.372 3.300 -5.971 1.00 0.00 C ATOM 604 C VAL A 37 -12.546 4.572 -6.134 1.00 0.00 C ATOM 605 O VAL A 37 -13.020 5.566 -6.686 1.00 0.00 O ATOM 606 CB VAL A 37 -14.014 3.287 -4.570 1.00 0.00 C ATOM 607 CG1 VAL A 37 -14.975 4.455 -4.409 1.00 0.00 C ATOM 608 CG2 VAL A 37 -14.725 1.966 -4.320 1.00 0.00 C ATOM 0 H VAL A 37 -12.405 1.541 -5.362 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.165 3.283 -6.719 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.222 3.394 -3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.417 4.428 -3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.434 5.392 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -15.763 4.384 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -15.172 1.976 -3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.506 1.826 -5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.007 1.148 -4.387 1.00 0.00 H new ATOM 618 N ASN A 38 -11.308 4.530 -5.654 1.00 0.00 N ATOM 619 CA ASN A 38 -10.414 5.678 -5.747 1.00 0.00 C ATOM 620 C ASN A 38 -10.087 5.994 -7.205 1.00 0.00 C ATOM 621 O ASN A 38 -9.933 7.156 -7.579 1.00 0.00 O ATOM 622 CB ASN A 38 -9.124 5.411 -4.968 1.00 0.00 C ATOM 623 CG ASN A 38 -9.263 5.735 -3.494 1.00 0.00 C ATOM 624 OD1 ASN A 38 -8.560 6.597 -2.965 1.00 0.00 O ATOM 625 ND2 ASN A 38 -10.173 5.040 -2.817 1.00 0.00 N ATOM 0 H ASN A 38 -10.901 3.714 -5.197 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.920 6.539 -5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.844 4.364 -5.082 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.316 6.006 -5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.309 5.212 -1.821 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.735 4.335 -3.294 1.00 0.00 H new ATOM 632 N SER A 39 -9.983 4.951 -8.023 1.00 0.00 N ATOM 633 CA SER A 39 -9.679 5.117 -9.439 1.00 0.00 C ATOM 634 C SER A 39 -10.839 5.785 -10.169 1.00 0.00 C ATOM 635 O SER A 39 -10.639 6.526 -11.132 1.00 0.00 O ATOM 636 CB SER A 39 -9.370 3.764 -10.079 1.00 0.00 C ATOM 637 OG SER A 39 -8.057 3.336 -9.765 1.00 0.00 O ATOM 0 H SER A 39 -10.105 3.982 -7.729 1.00 0.00 H new ATOM 0 HA SER A 39 -8.802 5.759 -9.523 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.090 3.022 -9.733 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.483 3.836 -11.161 1.00 0.00 H new ATOM 0 HG SER A 39 -8.055 2.906 -8.884 1.00 0.00 H new ATOM 643 N CYS A 40 -12.055 5.521 -9.700 1.00 0.00 N ATOM 644 CA CYS A 40 -13.249 6.096 -10.304 1.00 0.00 C ATOM 645 C CYS A 40 -13.222 7.620 -10.225 1.00 0.00 C ATOM 646 O CYS A 40 -13.055 8.192 -9.146 1.00 0.00 O ATOM 647 CB CYS A 40 -14.506 5.554 -9.613 1.00 0.00 C ATOM 648 SG CYS A 40 -16.055 6.190 -10.295 1.00 0.00 S ATOM 0 H CYS A 40 -12.238 4.912 -8.903 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.269 5.809 -11.355 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -14.508 4.467 -9.687 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -14.460 5.801 -8.552 1.00 0.00 H new ATOM 0 HG CYS A 40 -16.916 6.357 -9.335 1.00 0.00 H new ATOM 653 N ALA A 41 -13.389 8.272 -11.373 1.00 0.00 N ATOM 654 CA ALA A 41 -13.384 9.731 -11.435 1.00 0.00 C ATOM 655 C ALA A 41 -14.717 10.311 -10.967 1.00 0.00 C ATOM 656 O ALA A 41 -14.775 11.438 -10.475 1.00 0.00 O ATOM 657 CB ALA A 41 -13.075 10.196 -12.851 1.00 0.00 C ATOM 0 H ALA A 41 -13.529 7.813 -12.273 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.606 10.094 -10.763 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.074 11.285 -12.884 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.096 9.823 -13.151 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.834 9.813 -13.533 1.00 0.00 H new ATOM 663 N GLN A 42 -15.786 9.538 -11.127 1.00 0.00 N ATOM 664 CA GLN A 42 -17.117 9.978 -10.725 1.00 0.00 C ATOM 665 C GLN A 42 -17.328 9.829 -9.215 1.00 0.00 C ATOM 666 O GLN A 42 -18.232 10.442 -8.648 1.00 0.00 O ATOM 667 CB GLN A 42 -18.183 9.181 -11.478 1.00 0.00 C ATOM 668 CG GLN A 42 -18.135 9.374 -12.984 1.00 0.00 C ATOM 669 CD GLN A 42 -19.075 8.444 -13.724 1.00 0.00 C ATOM 670 OE1 GLN A 42 -18.645 7.473 -14.348 1.00 0.00 O ATOM 671 NE2 GLN A 42 -20.368 8.737 -13.663 1.00 0.00 N ATOM 0 H GLN A 42 -15.756 8.603 -11.533 1.00 0.00 H new ATOM 0 HA GLN A 42 -17.206 11.035 -10.975 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -18.060 8.122 -11.252 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -19.168 9.473 -11.114 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -18.390 10.407 -13.222 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -17.116 9.209 -13.335 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -20.682 9.551 -13.135 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -21.048 8.148 -14.144 1.00 0.00 H new ATOM 680 N CYS A 43 -16.498 9.012 -8.568 1.00 0.00 N ATOM 681 CA CYS A 43 -16.615 8.790 -7.132 1.00 0.00 C ATOM 682 C CYS A 43 -15.544 9.558 -6.359 1.00 0.00 C ATOM 683 O CYS A 43 -15.743 9.909 -5.196 1.00 0.00 O ATOM 684 CB CYS A 43 -16.515 7.294 -6.822 1.00 0.00 C ATOM 685 SG CYS A 43 -18.051 6.378 -7.102 1.00 0.00 S ATOM 0 H CYS A 43 -15.741 8.496 -9.016 1.00 0.00 H new ATOM 0 HA CYS A 43 -17.589 9.161 -6.814 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -15.727 6.858 -7.437 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -16.214 7.169 -5.782 1.00 0.00 H new ATOM 0 HG CYS A 43 -17.793 5.290 -7.765 1.00 0.00 H new ATOM 690 N GLN A 44 -14.408 9.818 -7.004 1.00 0.00 N ATOM 691 CA GLN A 44 -13.316 10.543 -6.362 1.00 0.00 C ATOM 692 C GLN A 44 -13.742 11.962 -5.988 1.00 0.00 C ATOM 693 O GLN A 44 -13.423 12.450 -4.905 1.00 0.00 O ATOM 694 CB GLN A 44 -12.085 10.584 -7.279 1.00 0.00 C ATOM 695 CG GLN A 44 -12.264 11.453 -8.516 1.00 0.00 C ATOM 696 CD GLN A 44 -11.006 11.541 -9.358 1.00 0.00 C ATOM 697 OE1 GLN A 44 -10.553 12.632 -9.704 1.00 0.00 O ATOM 698 NE2 GLN A 44 -10.437 10.390 -9.693 1.00 0.00 N ATOM 0 H GLN A 44 -14.221 9.538 -7.967 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.056 10.013 -5.446 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.232 10.952 -6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.844 9.568 -7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.075 11.051 -9.123 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -12.562 12.456 -8.210 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.848 9.509 -9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.589 10.386 -10.260 1.00 0.00 H new ATOM 845 N GLU B 6 3.888 -7.355 3.485 1.00 0.00 N ATOM 846 CA GLU B 6 4.436 -6.768 4.705 1.00 0.00 C ATOM 847 C GLU B 6 5.963 -6.886 4.731 1.00 0.00 C ATOM 848 O GLU B 6 6.665 -5.877 4.802 1.00 0.00 O ATOM 849 CB GLU B 6 3.827 -7.440 5.943 1.00 0.00 C ATOM 850 CG GLU B 6 2.744 -6.611 6.611 1.00 0.00 C ATOM 851 CD GLU B 6 3.269 -5.788 7.772 1.00 0.00 C ATOM 852 OE1 GLU B 6 3.762 -4.666 7.531 1.00 0.00 O ATOM 853 OE2 GLU B 6 3.190 -6.268 8.923 1.00 0.00 O ATOM 0 HA GLU B 6 4.176 -5.709 4.718 1.00 0.00 H new ATOM 0 HB2 GLU B 6 3.409 -8.405 5.655 1.00 0.00 H new ATOM 0 HB3 GLU B 6 4.619 -7.639 6.665 1.00 0.00 H new ATOM 0 HG2 GLU B 6 2.294 -5.946 5.874 1.00 0.00 H new ATOM 0 HG3 GLU B 6 1.954 -7.272 6.967 1.00 0.00 H new ATOM 860 N PRO B 7 6.509 -8.123 4.670 1.00 0.00 N ATOM 861 CA PRO B 7 7.960 -8.348 4.683 1.00 0.00 C ATOM 862 C PRO B 7 8.717 -7.395 3.759 1.00 0.00 C ATOM 863 O PRO B 7 9.847 -7.002 4.047 1.00 0.00 O ATOM 864 CB PRO B 7 8.094 -9.785 4.184 1.00 0.00 C ATOM 865 CG PRO B 7 6.832 -10.452 4.609 1.00 0.00 C ATOM 866 CD PRO B 7 5.759 -9.396 4.583 1.00 0.00 C ATOM 0 HA PRO B 7 8.386 -8.175 5.671 1.00 0.00 H new ATOM 0 HB2 PRO B 7 8.214 -9.819 3.101 1.00 0.00 H new ATOM 0 HB3 PRO B 7 8.966 -10.275 4.617 1.00 0.00 H new ATOM 0 HG2 PRO B 7 6.583 -11.274 3.938 1.00 0.00 H new ATOM 0 HG3 PRO B 7 6.935 -10.876 5.608 1.00 0.00 H new ATOM 0 HD2 PRO B 7 5.168 -9.450 3.669 1.00 0.00 H new ATOM 0 HD3 PRO B 7 5.067 -9.509 5.417 1.00 0.00 H new ATOM 874 N ALA B 8 8.087 -7.031 2.647 1.00 0.00 N ATOM 875 CA ALA B 8 8.702 -6.128 1.682 1.00 0.00 C ATOM 876 C ALA B 8 8.817 -4.716 2.243 1.00 0.00 C ATOM 877 O ALA B 8 9.758 -3.988 1.930 1.00 0.00 O ATOM 878 CB ALA B 8 7.908 -6.124 0.384 1.00 0.00 C ATOM 0 H ALA B 8 7.151 -7.347 2.392 1.00 0.00 H new ATOM 0 HA ALA B 8 9.710 -6.488 1.476 1.00 0.00 H new ATOM 0 HB1 ALA B 8 8.378 -5.446 -0.328 1.00 0.00 H new ATOM 0 HB2 ALA B 8 7.888 -7.131 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA B 8 6.889 -5.793 0.582 1.00 0.00 H new ATOM 884 N GLN B 9 7.856 -4.332 3.077 1.00 0.00 N ATOM 885 CA GLN B 9 7.861 -3.005 3.681 1.00 0.00 C ATOM 886 C GLN B 9 9.034 -2.857 4.644 1.00 0.00 C ATOM 887 O GLN B 9 9.662 -1.802 4.712 1.00 0.00 O ATOM 888 CB GLN B 9 6.543 -2.746 4.413 1.00 0.00 C ATOM 889 CG GLN B 9 5.461 -2.159 3.523 1.00 0.00 C ATOM 890 CD GLN B 9 4.069 -2.355 4.091 1.00 0.00 C ATOM 891 OE1 GLN B 9 3.652 -1.641 5.004 1.00 0.00 O ATOM 892 NE2 GLN B 9 3.344 -3.328 3.553 1.00 0.00 N ATOM 0 H GLN B 9 7.067 -4.918 3.349 1.00 0.00 H new ATOM 0 HA GLN B 9 7.971 -2.268 2.885 1.00 0.00 H new ATOM 0 HB2 GLN B 9 6.183 -3.682 4.839 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.726 -2.066 5.245 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.647 -1.094 3.386 1.00 0.00 H new ATOM 0 HG3 GLN B 9 5.516 -2.622 2.538 1.00 0.00 H new ATOM 0 HE21 GLN B 9 3.731 -3.894 2.798 1.00 0.00 H new ATOM 0 HE22 GLN B 9 2.400 -3.509 3.894 1.00 0.00 H new ATOM 901 N GLU B 10 9.323 -3.922 5.384 1.00 0.00 N ATOM 902 CA GLU B 10 10.424 -3.910 6.340 1.00 0.00 C ATOM 903 C GLU B 10 11.757 -3.748 5.617 1.00 0.00 C ATOM 904 O GLU B 10 12.680 -3.114 6.128 1.00 0.00 O ATOM 905 CB GLU B 10 10.431 -5.199 7.164 1.00 0.00 C ATOM 906 CG GLU B 10 9.053 -5.617 7.655 1.00 0.00 C ATOM 907 CD GLU B 10 9.088 -6.227 9.041 1.00 0.00 C ATOM 908 OE1 GLU B 10 9.479 -7.406 9.162 1.00 0.00 O ATOM 909 OE2 GLU B 10 8.726 -5.524 10.009 1.00 0.00 O ATOM 0 H GLU B 10 8.811 -4.803 5.340 1.00 0.00 H new ATOM 0 HA GLU B 10 10.283 -3.063 7.012 1.00 0.00 H new ATOM 0 HB2 GLU B 10 10.852 -6.003 6.561 1.00 0.00 H new ATOM 0 HB3 GLU B 10 11.089 -5.067 8.023 1.00 0.00 H new ATOM 0 HG2 GLU B 10 8.395 -4.748 7.661 1.00 0.00 H new ATOM 0 HG3 GLU B 10 8.625 -6.336 6.956 1.00 0.00 H new ATOM 916 N GLU B 11 11.846 -4.323 4.421 1.00 0.00 N ATOM 917 CA GLU B 11 13.062 -4.241 3.620 1.00 0.00 C ATOM 918 C GLU B 11 13.299 -2.816 3.145 1.00 0.00 C ATOM 919 O GLU B 11 14.422 -2.315 3.208 1.00 0.00 O ATOM 920 CB GLU B 11 12.968 -5.191 2.421 1.00 0.00 C ATOM 921 CG GLU B 11 14.196 -5.165 1.524 1.00 0.00 C ATOM 922 CD GLU B 11 15.324 -6.027 2.055 1.00 0.00 C ATOM 923 OE1 GLU B 11 15.076 -7.216 2.344 1.00 0.00 O ATOM 924 OE2 GLU B 11 16.456 -5.515 2.179 1.00 0.00 O ATOM 0 H GLU B 11 11.090 -4.851 3.986 1.00 0.00 H new ATOM 0 HA GLU B 11 13.906 -4.539 4.243 1.00 0.00 H new ATOM 0 HB2 GLU B 11 12.816 -6.207 2.785 1.00 0.00 H new ATOM 0 HB3 GLU B 11 12.091 -4.930 1.829 1.00 0.00 H new ATOM 0 HG2 GLU B 11 13.920 -5.508 0.527 1.00 0.00 H new ATOM 0 HG3 GLU B 11 14.546 -4.138 1.423 1.00 0.00 H new ATOM 931 N HIS B 12 12.244 -2.159 2.670 1.00 0.00 N ATOM 932 CA HIS B 12 12.375 -0.791 2.195 1.00 0.00 C ATOM 933 C HIS B 12 12.763 0.140 3.344 1.00 0.00 C ATOM 934 O HIS B 12 13.571 1.046 3.171 1.00 0.00 O ATOM 935 CB HIS B 12 11.082 -0.293 1.530 1.00 0.00 C ATOM 936 CG HIS B 12 11.231 1.095 0.995 1.00 0.00 C ATOM 937 ND1 HIS B 12 11.209 1.423 -0.346 1.00 0.00 N ATOM 938 CD2 HIS B 12 11.533 2.234 1.656 1.00 0.00 C ATOM 939 CE1 HIS B 12 11.517 2.726 -0.451 1.00 0.00 C ATOM 940 NE2 HIS B 12 11.723 3.256 0.740 1.00 0.00 N ATOM 0 H HIS B 12 11.303 -2.548 2.605 1.00 0.00 H new ATOM 0 HA HIS B 12 13.164 -0.782 1.443 1.00 0.00 H new ATOM 0 HB2 HIS B 12 10.807 -0.967 0.719 1.00 0.00 H new ATOM 0 HB3 HIS B 12 10.268 -0.318 2.254 1.00 0.00 H new ATOM 0 HD1 HIS B 12 10.997 0.790 -1.117 1.00 0.00 H new ATOM 0 HD2 HIS B 12 11.614 2.332 2.729 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.587 3.267 -1.383 1.00 0.00 H new ATOM 948 N GLU B 13 12.168 -0.078 4.505 1.00 0.00 N ATOM 949 CA GLU B 13 12.447 0.755 5.670 1.00 0.00 C ATOM 950 C GLU B 13 13.898 0.619 6.144 1.00 0.00 C ATOM 951 O GLU B 13 14.351 1.400 6.980 1.00 0.00 O ATOM 952 CB GLU B 13 11.498 0.392 6.812 1.00 0.00 C ATOM 953 CG GLU B 13 10.039 0.708 6.520 1.00 0.00 C ATOM 954 CD GLU B 13 9.648 2.106 6.952 1.00 0.00 C ATOM 955 OE1 GLU B 13 10.443 3.044 6.721 1.00 0.00 O ATOM 956 OE2 GLU B 13 8.547 2.266 7.519 1.00 0.00 O ATOM 0 H GLU B 13 11.490 -0.822 4.669 1.00 0.00 H new ATOM 0 HA GLU B 13 12.291 1.792 5.372 1.00 0.00 H new ATOM 0 HB2 GLU B 13 11.594 -0.672 7.028 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.804 0.928 7.711 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.854 0.597 5.452 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.405 -0.017 7.031 1.00 0.00 H new ATOM 963 N LYS B 14 14.622 -0.379 5.636 1.00 0.00 N ATOM 964 CA LYS B 14 16.004 -0.595 6.053 1.00 0.00 C ATOM 965 C LYS B 14 17.021 -0.113 5.012 1.00 0.00 C ATOM 966 O LYS B 14 18.132 0.275 5.370 1.00 0.00 O ATOM 967 CB LYS B 14 16.227 -2.077 6.352 1.00 0.00 C ATOM 968 CG LYS B 14 17.292 -2.336 7.402 1.00 0.00 C ATOM 969 CD LYS B 14 17.462 -3.822 7.663 1.00 0.00 C ATOM 970 CE LYS B 14 16.306 -4.384 8.473 1.00 0.00 C ATOM 971 NZ LYS B 14 16.566 -4.315 9.936 1.00 0.00 N ATOM 0 H LYS B 14 14.277 -1.043 4.943 1.00 0.00 H new ATOM 0 HA LYS B 14 16.165 -0.001 6.953 1.00 0.00 H new ATOM 0 HB2 LYS B 14 15.287 -2.516 6.685 1.00 0.00 H new ATOM 0 HB3 LYS B 14 16.508 -2.586 5.430 1.00 0.00 H new ATOM 0 HG2 LYS B 14 18.241 -1.912 7.073 1.00 0.00 H new ATOM 0 HG3 LYS B 14 17.022 -1.831 8.329 1.00 0.00 H new ATOM 0 HD2 LYS B 14 17.534 -4.353 6.714 1.00 0.00 H new ATOM 0 HD3 LYS B 14 18.397 -3.994 8.196 1.00 0.00 H new ATOM 0 HE2 LYS B 14 15.397 -3.830 8.240 1.00 0.00 H new ATOM 0 HE3 LYS B 14 16.131 -5.420 8.184 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 15.753 -4.708 10.452 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 17.419 -4.865 10.163 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 16.708 -3.324 10.217 1.00 0.00 H new ATOM 985 N TYR B 15 16.658 -0.153 3.732 1.00 0.00 N ATOM 986 CA TYR B 15 17.582 0.273 2.677 1.00 0.00 C ATOM 987 C TYR B 15 16.876 1.024 1.542 1.00 0.00 C ATOM 988 O TYR B 15 17.409 1.116 0.434 1.00 0.00 O ATOM 989 CB TYR B 15 18.305 -0.948 2.103 1.00 0.00 C ATOM 990 CG TYR B 15 18.841 -1.893 3.158 1.00 0.00 C ATOM 991 CD1 TYR B 15 20.087 -1.682 3.732 1.00 0.00 C ATOM 992 CD2 TYR B 15 18.106 -2.999 3.573 1.00 0.00 C ATOM 993 CE1 TYR B 15 20.587 -2.541 4.691 1.00 0.00 C ATOM 994 CE2 TYR B 15 18.598 -3.862 4.533 1.00 0.00 C ATOM 995 CZ TYR B 15 19.841 -3.629 5.087 1.00 0.00 C ATOM 996 OH TYR B 15 20.334 -4.490 6.041 1.00 0.00 O ATOM 0 H TYR B 15 15.747 -0.470 3.401 1.00 0.00 H new ATOM 0 HA TYR B 15 18.294 0.962 3.132 1.00 0.00 H new ATOM 0 HB2 TYR B 15 17.619 -1.493 1.455 1.00 0.00 H new ATOM 0 HB3 TYR B 15 19.132 -0.609 1.479 1.00 0.00 H new ATOM 0 HD1 TYR B 15 20.676 -0.831 3.423 1.00 0.00 H new ATOM 0 HD2 TYR B 15 17.135 -3.186 3.138 1.00 0.00 H new ATOM 0 HE1 TYR B 15 21.558 -2.361 5.128 1.00 0.00 H new ATOM 0 HE2 TYR B 15 18.014 -4.714 4.848 1.00 0.00 H new ATOM 0 HH TYR B 15 19.682 -5.203 6.206 1.00 0.00 H new ATOM 1006 N HIS B 16 15.680 1.548 1.813 1.00 0.00 N ATOM 1007 CA HIS B 16 14.885 2.285 0.817 1.00 0.00 C ATOM 1008 C HIS B 16 14.928 1.624 -0.567 1.00 0.00 C ATOM 1009 O HIS B 16 15.109 2.292 -1.585 1.00 0.00 O ATOM 1010 CB HIS B 16 15.336 3.746 0.716 1.00 0.00 C ATOM 1011 CG HIS B 16 15.112 4.541 1.968 1.00 0.00 C ATOM 1012 ND1 HIS B 16 13.906 5.156 2.252 1.00 0.00 N ATOM 1013 CD2 HIS B 16 15.980 4.798 2.978 1.00 0.00 C ATOM 1014 CE1 HIS B 16 14.074 5.763 3.413 1.00 0.00 C ATOM 1015 NE2 HIS B 16 15.311 5.576 3.891 1.00 0.00 N ATOM 0 H HIS B 16 15.231 1.476 2.726 1.00 0.00 H new ATOM 0 HA HIS B 16 13.853 2.259 1.166 1.00 0.00 H new ATOM 0 HB2 HIS B 16 16.397 3.772 0.466 1.00 0.00 H new ATOM 0 HB3 HIS B 16 14.803 4.224 -0.106 1.00 0.00 H new ATOM 0 HD1 HIS B 16 13.060 5.143 1.682 1.00 0.00 H new ATOM 0 HD2 HIS B 16 17.002 4.456 3.050 1.00 0.00 H new ATOM 0 HE1 HIS B 16 13.309 6.338 3.914 1.00 0.00 H new ATOM 1023 N SER B 17 14.757 0.303 -0.590 1.00 0.00 N ATOM 1024 CA SER B 17 14.774 -0.453 -1.838 1.00 0.00 C ATOM 1025 C SER B 17 13.706 0.055 -2.806 1.00 0.00 C ATOM 1026 O SER B 17 12.625 0.471 -2.388 1.00 0.00 O ATOM 1027 CB SER B 17 14.556 -1.939 -1.555 1.00 0.00 C ATOM 1028 OG SER B 17 15.676 -2.502 -0.895 1.00 0.00 O ATOM 0 H SER B 17 14.605 -0.265 0.243 1.00 0.00 H new ATOM 0 HA SER B 17 15.750 -0.314 -2.304 1.00 0.00 H new ATOM 0 HB2 SER B 17 13.665 -2.069 -0.941 1.00 0.00 H new ATOM 0 HB3 SER B 17 14.378 -2.468 -2.491 1.00 0.00 H new ATOM 0 HG SER B 17 15.511 -3.453 -0.724 1.00 0.00 H new ATOM 1034 N ASN B 18 14.019 0.017 -4.097 1.00 0.00 N ATOM 1035 CA ASN B 18 13.087 0.474 -5.125 1.00 0.00 C ATOM 1036 C ASN B 18 12.060 -0.606 -5.450 1.00 0.00 C ATOM 1037 O ASN B 18 12.170 -1.741 -4.988 1.00 0.00 O ATOM 1038 CB ASN B 18 13.848 0.870 -6.394 1.00 0.00 C ATOM 1039 CG ASN B 18 14.604 2.173 -6.229 1.00 0.00 C ATOM 1040 OD1 ASN B 18 14.189 3.054 -5.477 1.00 0.00 O ATOM 1041 ND2 ASN B 18 15.721 2.305 -6.938 1.00 0.00 N ATOM 0 H ASN B 18 14.910 -0.325 -4.457 1.00 0.00 H new ATOM 0 HA ASN B 18 12.559 1.346 -4.739 1.00 0.00 H new ATOM 0 HB2 ASN B 18 14.548 0.077 -6.657 1.00 0.00 H new ATOM 0 HB3 ASN B 18 13.145 0.963 -7.222 1.00 0.00 H new ATOM 0 HD21 ASN B 18 16.270 3.162 -6.870 1.00 0.00 H new ATOM 0 HD22 ASN B 18 16.029 1.549 -7.550 1.00 0.00 H new ATOM 1048 N VAL B 19 11.061 -0.242 -6.252 1.00 0.00 N ATOM 1049 CA VAL B 19 10.007 -1.172 -6.649 1.00 0.00 C ATOM 1050 C VAL B 19 10.591 -2.445 -7.257 1.00 0.00 C ATOM 1051 O VAL B 19 10.261 -3.555 -6.840 1.00 0.00 O ATOM 1052 CB VAL B 19 9.047 -0.521 -7.668 1.00 0.00 C ATOM 1053 CG1 VAL B 19 7.892 -1.455 -8.013 1.00 0.00 C ATOM 1054 CG2 VAL B 19 8.524 0.800 -7.131 1.00 0.00 C ATOM 0 H VAL B 19 10.960 0.695 -6.641 1.00 0.00 H new ATOM 0 HA VAL B 19 9.453 -1.430 -5.746 1.00 0.00 H new ATOM 0 HB VAL B 19 9.606 -0.330 -8.584 1.00 0.00 H new ATOM 0 HG11 VAL B 19 7.233 -0.969 -8.732 1.00 0.00 H new ATOM 0 HG12 VAL B 19 8.285 -2.375 -8.445 1.00 0.00 H new ATOM 0 HG13 VAL B 19 7.331 -1.690 -7.108 1.00 0.00 H new ATOM 0 HG21 VAL B 19 7.849 1.247 -7.860 1.00 0.00 H new ATOM 0 HG22 VAL B 19 7.988 0.627 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL B 19 9.360 1.475 -6.949 1.00 0.00 H new ATOM 1064 N LYS B 20 11.458 -2.272 -8.250 1.00 0.00 N ATOM 1065 CA LYS B 20 12.091 -3.404 -8.923 1.00 0.00 C ATOM 1066 C LYS B 20 12.807 -4.311 -7.926 1.00 0.00 C ATOM 1067 O LYS B 20 12.910 -5.519 -8.135 1.00 0.00 O ATOM 1068 CB LYS B 20 13.080 -2.911 -9.977 1.00 0.00 C ATOM 1069 CG LYS B 20 13.439 -3.968 -11.013 1.00 0.00 C ATOM 1070 CD LYS B 20 14.943 -4.090 -11.199 1.00 0.00 C ATOM 1071 CE LYS B 20 15.617 -4.638 -9.949 1.00 0.00 C ATOM 1072 NZ LYS B 20 17.083 -4.835 -10.141 1.00 0.00 N ATOM 0 H LYS B 20 11.739 -1.359 -8.607 1.00 0.00 H new ATOM 0 HA LYS B 20 11.306 -3.982 -9.410 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.656 -2.045 -10.485 1.00 0.00 H new ATOM 0 HB3 LYS B 20 13.991 -2.576 -9.481 1.00 0.00 H new ATOM 0 HG2 LYS B 20 13.032 -4.931 -10.705 1.00 0.00 H new ATOM 0 HG3 LYS B 20 12.974 -3.715 -11.966 1.00 0.00 H new ATOM 0 HD2 LYS B 20 15.154 -4.745 -12.044 1.00 0.00 H new ATOM 0 HD3 LYS B 20 15.361 -3.113 -11.441 1.00 0.00 H new ATOM 0 HE2 LYS B 20 15.450 -3.953 -9.118 1.00 0.00 H new ATOM 0 HE3 LYS B 20 15.157 -5.588 -9.677 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 17.501 -5.209 -9.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 17.244 -5.509 -10.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 17.528 -3.925 -10.375 1.00 0.00 H new ATOM 1086 N GLU B 21 13.293 -3.722 -6.840 1.00 0.00 N ATOM 1087 CA GLU B 21 13.991 -4.480 -5.811 1.00 0.00 C ATOM 1088 C GLU B 21 13.005 -5.295 -4.982 1.00 0.00 C ATOM 1089 O GLU B 21 13.203 -6.490 -4.764 1.00 0.00 O ATOM 1090 CB GLU B 21 14.791 -3.544 -4.905 1.00 0.00 C ATOM 1091 CG GLU B 21 15.614 -4.272 -3.855 1.00 0.00 C ATOM 1092 CD GLU B 21 16.827 -4.966 -4.442 1.00 0.00 C ATOM 1093 OE1 GLU B 21 17.436 -4.407 -5.379 1.00 0.00 O ATOM 1094 OE2 GLU B 21 17.169 -6.068 -3.966 1.00 0.00 O ATOM 0 H GLU B 21 13.216 -2.723 -6.650 1.00 0.00 H new ATOM 0 HA GLU B 21 14.681 -5.165 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU B 21 15.456 -2.937 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU B 21 14.105 -2.860 -4.407 1.00 0.00 H new ATOM 0 HG2 GLU B 21 15.939 -3.560 -3.096 1.00 0.00 H new ATOM 0 HG3 GLU B 21 14.986 -5.008 -3.353 1.00 0.00 H new ATOM 1101 N LEU B 22 11.941 -4.645 -4.521 1.00 0.00 N ATOM 1102 CA LEU B 22 10.926 -5.317 -3.719 1.00 0.00 C ATOM 1103 C LEU B 22 10.190 -6.367 -4.542 1.00 0.00 C ATOM 1104 O LEU B 22 9.842 -7.434 -4.036 1.00 0.00 O ATOM 1105 CB LEU B 22 9.918 -4.307 -3.157 1.00 0.00 C ATOM 1106 CG LEU B 22 10.392 -3.470 -1.961 1.00 0.00 C ATOM 1107 CD1 LEU B 22 11.084 -4.336 -0.918 1.00 0.00 C ATOM 1108 CD2 LEU B 22 11.313 -2.351 -2.424 1.00 0.00 C ATOM 0 H LEU B 22 11.760 -3.655 -4.689 1.00 0.00 H new ATOM 0 HA LEU B 22 11.434 -5.810 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.631 -3.627 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.019 -4.848 -2.862 1.00 0.00 H new ATOM 0 HG LEU B 22 9.512 -3.026 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.408 -3.713 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.390 -5.094 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.951 -4.822 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.639 -1.768 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.183 -2.779 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU B 22 10.778 -1.703 -3.119 1.00 0.00 H new ATOM 1120 N SER B 23 9.944 -6.055 -5.813 1.00 0.00 N ATOM 1121 CA SER B 23 9.236 -6.974 -6.697 1.00 0.00 C ATOM 1122 C SER B 23 10.126 -8.138 -7.125 1.00 0.00 C ATOM 1123 O SER B 23 9.670 -9.277 -7.218 1.00 0.00 O ATOM 1124 CB SER B 23 8.727 -6.228 -7.934 1.00 0.00 C ATOM 1125 OG SER B 23 8.357 -7.133 -8.960 1.00 0.00 O ATOM 0 H SER B 23 10.223 -5.177 -6.251 1.00 0.00 H new ATOM 0 HA SER B 23 8.390 -7.381 -6.143 1.00 0.00 H new ATOM 0 HB2 SER B 23 7.870 -5.611 -7.663 1.00 0.00 H new ATOM 0 HB3 SER B 23 9.502 -5.555 -8.301 1.00 0.00 H new ATOM 0 HG SER B 23 7.480 -7.518 -8.755 1.00 0.00 H new ATOM 1131 N HIS B 24 11.394 -7.846 -7.398 1.00 0.00 N ATOM 1132 CA HIS B 24 12.339 -8.867 -7.832 1.00 0.00 C ATOM 1133 C HIS B 24 12.881 -9.672 -6.651 1.00 0.00 C ATOM 1134 O HIS B 24 13.235 -10.842 -6.800 1.00 0.00 O ATOM 1135 CB HIS B 24 13.488 -8.209 -8.598 1.00 0.00 C ATOM 1136 CG HIS B 24 14.533 -9.169 -9.074 1.00 0.00 C ATOM 1137 ND1 HIS B 24 14.201 -10.334 -9.721 1.00 0.00 N ATOM 1138 CD2 HIS B 24 15.878 -9.084 -8.971 1.00 0.00 C ATOM 1139 CE1 HIS B 24 15.347 -10.931 -9.997 1.00 0.00 C ATOM 1140 NE2 HIS B 24 16.393 -10.210 -9.564 1.00 0.00 N ATOM 0 H HIS B 24 11.790 -6.909 -7.326 1.00 0.00 H new ATOM 0 HA HIS B 24 11.813 -9.562 -8.487 1.00 0.00 H new ATOM 0 HB2 HIS B 24 13.080 -7.677 -9.457 1.00 0.00 H new ATOM 0 HB3 HIS B 24 13.959 -7.464 -7.956 1.00 0.00 H new ATOM 0 HD2 HIS B 24 16.439 -8.284 -8.511 1.00 0.00 H new ATOM 0 HE1 HIS B 24 15.431 -11.879 -10.507 1.00 0.00 H new ATOM 0 HE2 HIS B 24 17.380 -10.452 -9.657 1.00 0.00 H new ATOM 1148 N LYS B 25 12.954 -9.043 -5.482 1.00 0.00 N ATOM 1149 CA LYS B 25 13.466 -9.714 -4.293 1.00 0.00 C ATOM 1150 C LYS B 25 12.402 -10.607 -3.659 1.00 0.00 C ATOM 1151 O LYS B 25 12.667 -11.763 -3.325 1.00 0.00 O ATOM 1152 CB LYS B 25 13.958 -8.689 -3.273 1.00 0.00 C ATOM 1153 CG LYS B 25 14.779 -9.297 -2.147 1.00 0.00 C ATOM 1154 CD LYS B 25 13.892 -9.845 -1.042 1.00 0.00 C ATOM 1155 CE LYS B 25 14.526 -9.653 0.326 1.00 0.00 C ATOM 1156 NZ LYS B 25 14.030 -10.647 1.315 1.00 0.00 N ATOM 0 H LYS B 25 12.667 -8.076 -5.333 1.00 0.00 H new ATOM 0 HA LYS B 25 14.301 -10.343 -4.601 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.560 -7.938 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS B 25 13.099 -8.172 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS B 25 15.405 -10.097 -2.543 1.00 0.00 H new ATOM 0 HG3 LYS B 25 15.449 -8.542 -1.736 1.00 0.00 H new ATOM 0 HD2 LYS B 25 12.924 -9.345 -1.069 1.00 0.00 H new ATOM 0 HD3 LYS B 25 13.708 -10.906 -1.214 1.00 0.00 H new ATOM 0 HE2 LYS B 25 15.609 -9.738 0.239 1.00 0.00 H new ATOM 0 HE3 LYS B 25 14.313 -8.646 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 14.594 -10.581 2.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 13.032 -10.452 1.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 14.117 -11.604 0.918 1.00 0.00 H new ATOM 1170 N PHE B 26 11.203 -10.063 -3.487 1.00 0.00 N ATOM 1171 CA PHE B 26 10.105 -10.810 -2.883 1.00 0.00 C ATOM 1172 C PHE B 26 9.225 -11.462 -3.946 1.00 0.00 C ATOM 1173 O PHE B 26 9.142 -12.688 -4.026 1.00 0.00 O ATOM 1174 CB PHE B 26 9.267 -9.885 -2.002 1.00 0.00 C ATOM 1175 CG PHE B 26 10.030 -9.329 -0.836 1.00 0.00 C ATOM 1176 CD1 PHE B 26 10.730 -8.140 -0.956 1.00 0.00 C ATOM 1177 CD2 PHE B 26 10.051 -9.996 0.377 1.00 0.00 C ATOM 1178 CE1 PHE B 26 11.439 -7.627 0.112 1.00 0.00 C ATOM 1179 CE2 PHE B 26 10.757 -9.488 1.451 1.00 0.00 C ATOM 1180 CZ PHE B 26 11.451 -8.302 1.319 1.00 0.00 C ATOM 0 H PHE B 26 10.966 -9.108 -3.757 1.00 0.00 H new ATOM 0 HA PHE B 26 10.533 -11.603 -2.270 1.00 0.00 H new ATOM 0 HB2 PHE B 26 8.890 -9.061 -2.607 1.00 0.00 H new ATOM 0 HB3 PHE B 26 8.400 -10.433 -1.633 1.00 0.00 H new ATOM 0 HD1 PHE B 26 10.721 -7.608 -1.896 1.00 0.00 H new ATOM 0 HD2 PHE B 26 9.509 -10.924 0.485 1.00 0.00 H new ATOM 0 HE1 PHE B 26 11.983 -6.700 0.005 1.00 0.00 H new ATOM 0 HE2 PHE B 26 10.766 -10.018 2.392 1.00 0.00 H new ATOM 0 HZ PHE B 26 12.002 -7.902 2.157 1.00 0.00 H new ATOM 1190 N GLY B 27 8.568 -10.638 -4.753 1.00 0.00 N ATOM 1191 CA GLY B 27 7.699 -11.158 -5.794 1.00 0.00 C ATOM 1192 C GLY B 27 6.339 -10.489 -5.797 1.00 0.00 C ATOM 1193 O GLY B 27 5.344 -11.085 -5.380 1.00 0.00 O ATOM 0 H GLY B 27 8.621 -9.620 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY B 27 8.174 -11.015 -6.765 1.00 0.00 H new ATOM 0 HA3 GLY B 27 7.573 -12.232 -5.656 1.00 0.00 H new ATOM 1197 N ILE B 28 6.296 -9.249 -6.267 1.00 0.00 N ATOM 1198 CA ILE B 28 5.052 -8.493 -6.325 1.00 0.00 C ATOM 1199 C ILE B 28 5.037 -7.559 -7.534 1.00 0.00 C ATOM 1200 O ILE B 28 6.080 -7.052 -7.942 1.00 0.00 O ATOM 1201 CB ILE B 28 4.839 -7.662 -5.044 1.00 0.00 C ATOM 1202 CG1 ILE B 28 6.102 -6.868 -4.709 1.00 0.00 C ATOM 1203 CG2 ILE B 28 4.450 -8.565 -3.883 1.00 0.00 C ATOM 1204 CD1 ILE B 28 5.950 -5.973 -3.499 1.00 0.00 C ATOM 0 H ILE B 28 7.111 -8.744 -6.615 1.00 0.00 H new ATOM 0 HA ILE B 28 4.242 -9.217 -6.416 1.00 0.00 H new ATOM 0 HB ILE B 28 4.025 -6.958 -5.218 1.00 0.00 H new ATOM 0 HG12 ILE B 28 6.923 -7.563 -4.536 1.00 0.00 H new ATOM 0 HG13 ILE B 28 6.377 -6.258 -5.570 1.00 0.00 H new ATOM 0 HG21 ILE B 28 4.303 -7.962 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE B 28 3.525 -9.089 -4.123 1.00 0.00 H new ATOM 0 HG23 ILE B 28 5.243 -9.292 -3.706 1.00 0.00 H new ATOM 0 HD11 ILE B 28 6.884 -5.441 -3.321 1.00 0.00 H new ATOM 0 HD12 ILE B 28 5.151 -5.254 -3.677 1.00 0.00 H new ATOM 0 HD13 ILE B 28 5.705 -6.579 -2.627 1.00 0.00 H new ATOM 1216 N PRO B 29 3.851 -7.309 -8.126 1.00 0.00 N ATOM 1217 CA PRO B 29 3.730 -6.424 -9.289 1.00 0.00 C ATOM 1218 C PRO B 29 4.276 -5.028 -9.008 1.00 0.00 C ATOM 1219 O PRO B 29 4.745 -4.748 -7.905 1.00 0.00 O ATOM 1220 CB PRO B 29 2.218 -6.368 -9.558 1.00 0.00 C ATOM 1221 CG PRO B 29 1.579 -6.867 -8.308 1.00 0.00 C ATOM 1222 CD PRO B 29 2.544 -7.853 -7.719 1.00 0.00 C ATOM 0 HA PRO B 29 4.305 -6.793 -10.138 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.896 -5.352 -9.786 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.947 -6.988 -10.413 1.00 0.00 H new ATOM 0 HG2 PRO B 29 1.385 -6.049 -7.615 1.00 0.00 H new ATOM 0 HG3 PRO B 29 0.620 -7.339 -8.521 1.00 0.00 H new ATOM 0 HD2 PRO B 29 2.450 -7.913 -6.635 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.385 -8.858 -8.109 1.00 0.00 H new ATOM 1230 N ASN B 30 4.218 -4.161 -10.010 1.00 0.00 N ATOM 1231 CA ASN B 30 4.712 -2.795 -9.871 1.00 0.00 C ATOM 1232 C ASN B 30 3.770 -1.961 -9.007 1.00 0.00 C ATOM 1233 O ASN B 30 4.212 -1.131 -8.213 1.00 0.00 O ATOM 1234 CB ASN B 30 4.876 -2.139 -11.244 1.00 0.00 C ATOM 1235 CG ASN B 30 5.538 -3.056 -12.255 1.00 0.00 C ATOM 1236 OD1 ASN B 30 4.862 -3.748 -13.018 1.00 0.00 O ATOM 1237 ND2 ASN B 30 6.867 -3.068 -12.268 1.00 0.00 N ATOM 0 H ASN B 30 3.834 -4.378 -10.929 1.00 0.00 H new ATOM 0 HA ASN B 30 5.685 -2.840 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN B 30 3.897 -1.839 -11.618 1.00 0.00 H new ATOM 0 HB3 ASN B 30 5.470 -1.231 -11.140 1.00 0.00 H new ATOM 0 HD21 ASN B 30 7.365 -3.666 -12.927 1.00 0.00 H new ATOM 0 HD22 ASN B 30 7.389 -2.479 -11.619 1.00 0.00 H new ATOM 1244 N LEU B 31 2.471 -2.186 -9.169 1.00 0.00 N ATOM 1245 CA LEU B 31 1.467 -1.455 -8.406 1.00 0.00 C ATOM 1246 C LEU B 31 1.651 -1.672 -6.907 1.00 0.00 C ATOM 1247 O LEU B 31 1.820 -0.717 -6.149 1.00 0.00 O ATOM 1248 CB LEU B 31 0.060 -1.884 -8.827 1.00 0.00 C ATOM 1249 CG LEU B 31 -1.078 -1.161 -8.107 1.00 0.00 C ATOM 1250 CD1 LEU B 31 -1.121 0.304 -8.515 1.00 0.00 C ATOM 1251 CD2 LEU B 31 -2.409 -1.840 -8.397 1.00 0.00 C ATOM 0 H LEU B 31 2.089 -2.869 -9.822 1.00 0.00 H new ATOM 0 HA LEU B 31 1.594 -0.393 -8.617 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -0.047 -1.722 -9.899 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -0.044 -2.955 -8.655 1.00 0.00 H new ATOM 0 HG LEU B 31 -0.895 -1.212 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -1.937 0.803 -7.993 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -0.177 0.782 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -1.280 0.378 -9.591 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -3.208 -1.312 -7.876 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -2.601 -1.821 -9.470 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -2.373 -2.874 -8.053 1.00 0.00 H new ATOM 1263 N VAL B 32 1.619 -2.931 -6.488 1.00 0.00 N ATOM 1264 CA VAL B 32 1.783 -3.272 -5.077 1.00 0.00 C ATOM 1265 C VAL B 32 3.123 -2.775 -4.541 1.00 0.00 C ATOM 1266 O VAL B 32 3.195 -2.220 -3.445 1.00 0.00 O ATOM 1267 CB VAL B 32 1.676 -4.795 -4.850 1.00 0.00 C ATOM 1268 CG1 VAL B 32 1.767 -5.137 -3.368 1.00 0.00 C ATOM 1269 CG2 VAL B 32 0.382 -5.335 -5.444 1.00 0.00 C ATOM 0 H VAL B 32 1.481 -3.733 -7.103 1.00 0.00 H new ATOM 0 HA VAL B 32 0.977 -2.777 -4.536 1.00 0.00 H new ATOM 0 HB VAL B 32 2.516 -5.270 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL B 32 1.689 -6.216 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL B 32 2.723 -4.792 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL B 32 0.955 -4.647 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL B 32 0.325 -6.410 -5.274 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -0.468 -4.846 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL B 32 0.362 -5.135 -6.515 1.00 0.00 H new ATOM 1279 N ALA B 33 4.183 -2.975 -5.318 1.00 0.00 N ATOM 1280 CA ALA B 33 5.513 -2.544 -4.908 1.00 0.00 C ATOM 1281 C ALA B 33 5.586 -1.024 -4.806 1.00 0.00 C ATOM 1282 O ALA B 33 6.245 -0.482 -3.918 1.00 0.00 O ATOM 1283 CB ALA B 33 6.562 -3.063 -5.879 1.00 0.00 C ATOM 0 H ALA B 33 4.147 -3.430 -6.230 1.00 0.00 H new ATOM 0 HA ALA B 33 5.716 -2.960 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA B 33 7.550 -2.732 -5.558 1.00 0.00 H new ATOM 0 HB2 ALA B 33 6.533 -4.152 -5.898 1.00 0.00 H new ATOM 0 HB3 ALA B 33 6.356 -2.677 -6.877 1.00 0.00 H new ATOM 1289 N ARG B 34 4.901 -0.342 -5.717 1.00 0.00 N ATOM 1290 CA ARG B 34 4.884 1.118 -5.728 1.00 0.00 C ATOM 1291 C ARG B 34 4.301 1.663 -4.428 1.00 0.00 C ATOM 1292 O ARG B 34 4.735 2.700 -3.927 1.00 0.00 O ATOM 1293 CB ARG B 34 4.071 1.630 -6.918 1.00 0.00 C ATOM 1294 CG ARG B 34 4.899 1.842 -8.174 1.00 0.00 C ATOM 1295 CD ARG B 34 4.013 2.017 -9.397 1.00 0.00 C ATOM 1296 NE ARG B 34 4.771 2.463 -10.565 1.00 0.00 N ATOM 1297 CZ ARG B 34 4.223 2.741 -11.749 1.00 0.00 C ATOM 1298 NH1 ARG B 34 2.915 2.618 -11.934 1.00 0.00 N ATOM 1299 NH2 ARG B 34 4.992 3.143 -12.751 1.00 0.00 N ATOM 0 H ARG B 34 4.350 -0.776 -6.458 1.00 0.00 H new ATOM 0 HA ARG B 34 5.912 1.469 -5.821 1.00 0.00 H new ATOM 0 HB2 ARG B 34 3.273 0.920 -7.135 1.00 0.00 H new ATOM 0 HB3 ARG B 34 3.594 2.571 -6.644 1.00 0.00 H new ATOM 0 HG2 ARG B 34 5.531 2.722 -8.051 1.00 0.00 H new ATOM 0 HG3 ARG B 34 5.563 0.991 -8.322 1.00 0.00 H new ATOM 0 HD2 ARG B 34 3.519 1.072 -9.625 1.00 0.00 H new ATOM 0 HD3 ARG B 34 3.229 2.741 -9.176 1.00 0.00 H new ATOM 0 HE ARG B 34 5.781 2.568 -10.469 1.00 0.00 H new ATOM 0 HH11 ARG B 34 2.318 2.308 -11.167 1.00 0.00 H new ATOM 0 HH12 ARG B 34 2.506 2.833 -12.843 1.00 0.00 H new ATOM 0 HH21 ARG B 34 5.998 3.239 -12.615 1.00 0.00 H new ATOM 0 HH22 ARG B 34 4.577 3.357 -13.658 1.00 0.00 H new ATOM 1313 N GLN B 35 3.316 0.954 -3.885 1.00 0.00 N ATOM 1314 CA GLN B 35 2.668 1.362 -2.642 1.00 0.00 C ATOM 1315 C GLN B 35 3.685 1.475 -1.508 1.00 0.00 C ATOM 1316 O GLN B 35 3.608 2.383 -0.681 1.00 0.00 O ATOM 1317 CB GLN B 35 1.572 0.362 -2.267 1.00 0.00 C ATOM 1318 CG GLN B 35 0.401 0.357 -3.238 1.00 0.00 C ATOM 1319 CD GLN B 35 -0.940 0.534 -2.548 1.00 0.00 C ATOM 1320 OE1 GLN B 35 -1.911 -0.289 -2.924 1.00 0.00 O flip ATOM 1321 NE2 GLN B 35 -1.097 1.399 -1.686 1.00 0.00 N flip ATOM 0 H GLN B 35 2.948 0.092 -4.287 1.00 0.00 H new ATOM 0 HA GLN B 35 2.219 2.343 -2.797 1.00 0.00 H new ATOM 0 HB2 GLN B 35 2.003 -0.638 -2.224 1.00 0.00 H new ATOM 0 HB3 GLN B 35 1.205 0.595 -1.267 1.00 0.00 H new ATOM 0 HG2 GLN B 35 0.537 1.156 -3.967 1.00 0.00 H new ATOM 0 HG3 GLN B 35 0.398 -0.582 -3.791 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -0.321 2.010 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -2.003 1.505 -1.229 1.00 0.00 H new ATOM 1330 N ILE B 36 4.638 0.551 -1.483 1.00 0.00 N ATOM 1331 CA ILE B 36 5.674 0.548 -0.457 1.00 0.00 C ATOM 1332 C ILE B 36 6.533 1.807 -0.552 1.00 0.00 C ATOM 1333 O ILE B 36 6.712 2.523 0.432 1.00 0.00 O ATOM 1334 CB ILE B 36 6.576 -0.699 -0.575 1.00 0.00 C ATOM 1335 CG1 ILE B 36 5.722 -1.970 -0.573 1.00 0.00 C ATOM 1336 CG2 ILE B 36 7.597 -0.738 0.557 1.00 0.00 C ATOM 1337 CD1 ILE B 36 6.532 -3.247 -0.656 1.00 0.00 C ATOM 0 H ILE B 36 4.715 -0.206 -2.162 1.00 0.00 H new ATOM 0 HA ILE B 36 5.173 0.527 0.511 1.00 0.00 H new ATOM 0 HB ILE B 36 7.119 -0.644 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE B 36 5.119 -1.991 0.335 1.00 0.00 H new ATOM 0 HG13 ILE B 36 5.030 -1.934 -1.414 1.00 0.00 H new ATOM 0 HG21 ILE B 36 8.222 -1.625 0.453 1.00 0.00 H new ATOM 0 HG22 ILE B 36 8.223 0.153 0.513 1.00 0.00 H new ATOM 0 HG23 ILE B 36 7.077 -0.770 1.515 1.00 0.00 H new ATOM 0 HD11 ILE B 36 5.860 -4.105 -0.650 1.00 0.00 H new ATOM 0 HD12 ILE B 36 7.115 -3.249 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE B 36 7.205 -3.307 0.199 1.00 0.00 H new ATOM 1349 N VAL B 37 7.058 2.071 -1.744 1.00 0.00 N ATOM 1350 CA VAL B 37 7.892 3.245 -1.964 1.00 0.00 C ATOM 1351 C VAL B 37 7.073 4.523 -1.820 1.00 0.00 C ATOM 1352 O VAL B 37 7.545 5.520 -1.273 1.00 0.00 O ATOM 1353 CB VAL B 37 8.549 3.219 -3.360 1.00 0.00 C ATOM 1354 CG1 VAL B 37 9.519 4.378 -3.520 1.00 0.00 C ATOM 1355 CG2 VAL B 37 9.253 1.891 -3.592 1.00 0.00 C ATOM 0 H VAL B 37 6.921 1.489 -2.570 1.00 0.00 H new ATOM 0 HA VAL B 37 8.677 3.227 -1.208 1.00 0.00 H new ATOM 0 HB VAL B 37 7.766 3.328 -4.110 1.00 0.00 H new ATOM 0 HG11 VAL B 37 9.971 4.340 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL B 37 8.983 5.320 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL B 37 10.300 4.306 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL B 37 9.711 1.890 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL B 37 10.025 1.751 -2.835 1.00 0.00 H new ATOM 0 HG23 VAL B 37 8.529 1.079 -3.526 1.00 0.00 H new ATOM 1365 N ASN B 38 5.840 4.486 -2.313 1.00 0.00 N ATOM 1366 CA ASN B 38 4.950 5.638 -2.239 1.00 0.00 C ATOM 1367 C ASN B 38 4.610 5.968 -0.790 1.00 0.00 C ATOM 1368 O ASN B 38 4.460 7.134 -0.425 1.00 0.00 O ATOM 1369 CB ASN B 38 3.667 5.372 -3.031 1.00 0.00 C ATOM 1370 CG ASN B 38 3.825 5.683 -4.506 1.00 0.00 C ATOM 1371 OD1 ASN B 38 3.134 6.547 -5.048 1.00 0.00 O ATOM 1372 ND2 ASN B 38 4.737 4.980 -5.164 1.00 0.00 N ATOM 0 H ASN B 38 5.434 3.669 -2.769 1.00 0.00 H new ATOM 0 HA ASN B 38 5.465 6.493 -2.676 1.00 0.00 H new ATOM 0 HB2 ASN B 38 3.379 4.328 -2.911 1.00 0.00 H new ATOM 0 HB3 ASN B 38 2.857 5.975 -2.620 1.00 0.00 H new ATOM 0 HD21 ASN B 38 4.888 5.146 -6.159 1.00 0.00 H new ATOM 0 HD22 ASN B 38 5.287 4.274 -4.675 1.00 0.00 H new ATOM 1379 N SER B 39 4.491 4.932 0.036 1.00 0.00 N ATOM 1380 CA SER B 39 4.172 5.114 1.448 1.00 0.00 C ATOM 1381 C SER B 39 5.329 5.782 2.185 1.00 0.00 C ATOM 1382 O SER B 39 5.122 6.527 3.140 1.00 0.00 O ATOM 1383 CB SER B 39 3.850 3.766 2.095 1.00 0.00 C ATOM 1384 OG SER B 39 2.537 3.344 1.771 1.00 0.00 O ATOM 0 H SER B 39 4.611 3.960 -0.248 1.00 0.00 H new ATOM 0 HA SER B 39 3.298 5.762 1.518 1.00 0.00 H new ATOM 0 HB2 SER B 39 4.569 3.018 1.760 1.00 0.00 H new ATOM 0 HB3 SER B 39 3.953 3.845 3.177 1.00 0.00 H new ATOM 0 HG SER B 39 2.541 2.907 0.894 1.00 0.00 H new ATOM 1390 N CYS B 40 6.547 5.505 1.731 1.00 0.00 N ATOM 1391 CA CYS B 40 7.741 6.076 2.345 1.00 0.00 C ATOM 1392 C CYS B 40 7.723 7.601 2.253 1.00 0.00 C ATOM 1393 O CYS B 40 7.570 8.165 1.169 1.00 0.00 O ATOM 1394 CB CYS B 40 8.999 5.522 1.671 1.00 0.00 C ATOM 1395 SG CYS B 40 10.546 6.153 2.365 1.00 0.00 S ATOM 0 H CYS B 40 6.733 4.889 0.940 1.00 0.00 H new ATOM 0 HA CYS B 40 7.751 5.796 3.398 1.00 0.00 H new ATOM 0 HB2 CYS B 40 8.993 4.435 1.752 1.00 0.00 H new ATOM 0 HB3 CYS B 40 8.965 5.762 0.608 1.00 0.00 H new ATOM 0 HG CYS B 40 11.431 6.267 1.420 1.00 0.00 H new ATOM 1400 N ALA B 41 7.882 8.260 3.397 1.00 0.00 N ATOM 1401 CA ALA B 41 7.885 9.719 3.448 1.00 0.00 C ATOM 1402 C ALA B 41 9.227 10.288 2.990 1.00 0.00 C ATOM 1403 O ALA B 41 9.297 11.410 2.489 1.00 0.00 O ATOM 1404 CB ALA B 41 7.564 10.199 4.857 1.00 0.00 C ATOM 0 H ALA B 41 8.011 7.807 4.302 1.00 0.00 H new ATOM 0 HA ALA B 41 7.116 10.079 2.765 1.00 0.00 H new ATOM 0 HB1 ALA B 41 7.570 11.289 4.880 1.00 0.00 H new ATOM 0 HB2 ALA B 41 6.579 9.835 5.150 1.00 0.00 H new ATOM 0 HB3 ALA B 41 8.313 9.817 5.551 1.00 0.00 H new ATOM 1410 N GLN B 42 10.289 9.509 3.167 1.00 0.00 N ATOM 1411 CA GLN B 42 11.626 9.938 2.774 1.00 0.00 C ATOM 1412 C GLN B 42 11.852 9.777 1.269 1.00 0.00 C ATOM 1413 O GLN B 42 12.766 10.378 0.706 1.00 0.00 O ATOM 1414 CB GLN B 42 12.680 9.140 3.545 1.00 0.00 C ATOM 1415 CG GLN B 42 12.616 9.347 5.051 1.00 0.00 C ATOM 1416 CD GLN B 42 13.545 8.416 5.809 1.00 0.00 C ATOM 1417 OE1 GLN B 42 13.100 7.453 6.434 1.00 0.00 O ATOM 1418 NE2 GLN B 42 14.841 8.702 5.759 1.00 0.00 N ATOM 0 H GLN B 42 10.250 8.577 3.580 1.00 0.00 H new ATOM 0 HA GLN B 42 11.719 10.997 3.016 1.00 0.00 H new ATOM 0 HB2 GLN B 42 12.553 8.080 3.326 1.00 0.00 H new ATOM 0 HB3 GLN B 42 13.671 9.423 3.189 1.00 0.00 H new ATOM 0 HG2 GLN B 42 12.875 10.380 5.283 1.00 0.00 H new ATOM 0 HG3 GLN B 42 11.593 9.190 5.392 1.00 0.00 H new ATOM 0 HE21 GLN B 42 15.165 9.511 5.228 1.00 0.00 H new ATOM 0 HE22 GLN B 42 15.513 8.113 6.251 1.00 0.00 H new ATOM 1427 N CYS B 43 11.024 8.959 0.619 1.00 0.00 N ATOM 1428 CA CYS B 43 11.154 8.725 -0.813 1.00 0.00 C ATOM 1429 C CYS B 43 10.097 9.493 -1.605 1.00 0.00 C ATOM 1430 O CYS B 43 10.309 9.835 -2.768 1.00 0.00 O ATOM 1431 CB CYS B 43 11.050 7.226 -1.112 1.00 0.00 C ATOM 1432 SG CYS B 43 12.578 6.305 -0.807 1.00 0.00 S ATOM 0 H CYS B 43 10.259 8.450 1.063 1.00 0.00 H new ATOM 0 HA CYS B 43 12.133 9.089 -1.124 1.00 0.00 H new ATOM 0 HB2 CYS B 43 10.253 6.799 -0.503 1.00 0.00 H new ATOM 0 HB3 CYS B 43 10.760 7.093 -2.154 1.00 0.00 H new ATOM 0 HG CYS B 43 12.304 5.213 -0.158 1.00 0.00 H new ATOM 1437 N GLN B 44 8.956 9.764 -0.972 1.00 0.00 N ATOM 1438 CA GLN B 44 7.875 10.491 -1.632 1.00 0.00 C ATOM 1439 C GLN B 44 8.316 11.904 -2.012 1.00 0.00 C ATOM 1440 O GLN B 44 8.011 12.385 -3.104 1.00 0.00 O ATOM 1441 CB GLN B 44 6.635 10.547 -0.728 1.00 0.00 C ATOM 1442 CG GLN B 44 6.806 11.426 0.501 1.00 0.00 C ATOM 1443 CD GLN B 44 5.541 11.526 1.331 1.00 0.00 C ATOM 1444 OE1 GLN B 44 5.090 12.622 1.664 1.00 0.00 O ATOM 1445 NE2 GLN B 44 4.961 10.381 1.669 1.00 0.00 N ATOM 0 H GLN B 44 8.758 9.493 -0.009 1.00 0.00 H new ATOM 0 HA GLN B 44 7.619 9.956 -2.547 1.00 0.00 H new ATOM 0 HB2 GLN B 44 5.790 10.914 -1.310 1.00 0.00 H new ATOM 0 HB3 GLN B 44 6.386 9.536 -0.407 1.00 0.00 H new ATOM 0 HG2 GLN B 44 7.610 11.027 1.119 1.00 0.00 H new ATOM 0 HG3 GLN B 44 7.110 12.425 0.188 1.00 0.00 H new ATOM 0 HE21 GLN B 44 5.369 9.495 1.371 1.00 0.00 H new ATOM 0 HE22 GLN B 44 4.107 10.387 2.227 1.00 0.00 H new