USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.4) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.541 K(o=0.54,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -112:sc= -0.319 (180deg=-1.46!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -120:sc=-0.000412 USER MOD Single : A 40 GLN : amide:sc= -0.0325 K(o=-0.033,f=-1.5) USER MOD Single : A 48 CYS SG : rot -170:sc= -0.69 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.0839 K(o=0.084,f=-0.92) USER MOD Single : A 54 GLN : amide:sc= -0.0859 X(o=-0.086,f=-0.053) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.811 2.339 -20.733 1.00 25.00 N ATOM 81 CA LEU A 6 10.010 1.841 -22.094 1.00 25.00 C ATOM 82 C LEU A 6 8.919 2.198 -23.055 1.00 25.00 C ATOM 83 O LEU A 6 9.185 2.499 -24.224 1.00 25.00 O ATOM 84 CB LEU A 6 10.111 0.286 -22.116 1.00 25.00 C ATOM 85 CG LEU A 6 11.380 -0.287 -21.490 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.269 -1.773 -21.382 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.639 0.041 -22.297 1.00 25.00 C ATOM 0 HA LEU A 6 10.934 2.325 -22.411 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.248 -0.127 -21.594 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.049 -0.053 -23.150 1.00 25.00 H new ATOM 0 HG LEU A 6 11.475 0.174 -20.507 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.178 -2.174 -20.934 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.413 -2.030 -20.757 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.134 -2.201 -22.375 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.510 -0.392 -21.805 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.546 -0.374 -23.301 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.759 1.123 -22.361 1.00 25.00 H new ATOM 99 N ASN A 7 7.670 2.110 -22.571 1.00 25.00 N ATOM 100 CA ASN A 7 6.446 2.400 -23.358 1.00 25.00 C ATOM 101 C ASN A 7 6.440 1.803 -24.771 1.00 25.00 C ATOM 102 O ASN A 7 6.119 2.470 -25.752 1.00 25.00 O ATOM 103 CB ASN A 7 6.250 3.910 -23.450 1.00 25.00 C ATOM 104 CG ASN A 7 4.881 4.295 -23.919 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.921 3.538 -23.750 1.00 25.00 O ATOM 106 ND2 ASN A 7 4.776 5.434 -24.527 1.00 25.00 N ATOM 0 H ASN A 7 7.472 1.832 -21.610 1.00 25.00 H new ATOM 0 HA ASN A 7 5.626 1.920 -22.824 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.431 4.355 -22.471 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.992 4.326 -24.131 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.872 5.737 -24.889 1.00 25.00 H new ATOM 0 HD22 ASN A 7 5.597 6.027 -24.644 1.00 25.00 H new ATOM 113 N VAL A 8 6.817 0.537 -24.845 1.00 25.00 N ATOM 114 CA VAL A 8 6.924 -0.155 -26.137 1.00 25.00 C ATOM 115 C VAL A 8 6.060 -1.387 -25.954 1.00 25.00 C ATOM 116 O VAL A 8 5.795 -1.746 -24.839 1.00 25.00 O ATOM 117 CB VAL A 8 8.436 -0.510 -26.481 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.939 -1.678 -25.665 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.590 -0.802 -27.963 1.00 25.00 C ATOM 0 H VAL A 8 7.055 -0.037 -24.036 1.00 25.00 H new ATOM 0 HA VAL A 8 6.593 0.452 -26.979 1.00 25.00 H new ATOM 0 HB VAL A 8 9.041 0.360 -26.223 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.975 -1.888 -25.930 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.878 -1.434 -24.604 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.327 -2.556 -25.871 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.631 -1.043 -28.180 1.00 25.00 H new ATOM 0 HG22 VAL A 8 7.958 -1.647 -28.235 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.292 0.074 -28.539 1.00 25.00 H new ATOM 129 N LEU A 9 5.578 -1.966 -27.041 1.00 25.00 N ATOM 130 CA LEU A 9 4.745 -3.138 -26.964 1.00 25.00 C ATOM 131 C LEU A 9 5.341 -4.215 -27.869 1.00 25.00 C ATOM 132 O LEU A 9 6.210 -3.946 -28.699 1.00 25.00 O ATOM 133 CB LEU A 9 3.292 -2.838 -27.327 1.00 25.00 C ATOM 134 CG LEU A 9 2.976 -1.900 -28.501 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.583 -2.193 -29.011 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.989 -0.389 -28.114 1.00 25.00 C ATOM 0 H LEU A 9 5.755 -1.635 -27.990 1.00 25.00 H new ATOM 0 HA LEU A 9 4.725 -3.494 -25.934 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.805 -3.791 -27.532 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.815 -2.421 -26.440 1.00 25.00 H new ATOM 0 HG LEU A 9 3.753 -2.080 -29.243 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.354 -1.529 -29.845 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.529 -3.229 -29.346 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.861 -2.032 -28.210 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.758 0.214 -28.992 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.243 -0.205 -27.341 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.976 -0.118 -27.738 1.00 25.00 H new ATOM 148 N ALA A 10 4.914 -5.433 -27.663 1.00 25.00 N ATOM 149 CA ALA A 10 5.448 -6.554 -28.427 1.00 25.00 C ATOM 150 C ALA A 10 4.374 -7.590 -28.691 1.00 25.00 C ATOM 151 O ALA A 10 3.449 -7.704 -27.918 1.00 25.00 O ATOM 152 CB ALA A 10 6.595 -7.198 -27.674 1.00 25.00 C ATOM 0 H ALA A 10 4.201 -5.684 -26.978 1.00 25.00 H new ATOM 0 HA ALA A 10 5.807 -6.171 -29.382 1.00 25.00 H new ATOM 0 HB1 ALA A 10 6.987 -8.034 -28.253 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.385 -6.464 -27.517 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.239 -7.560 -26.709 1.00 25.00 H new ATOM 158 N LYS A 11 4.556 -8.386 -29.735 1.00 25.00 N ATOM 159 CA LYS A 11 3.659 -9.504 -30.040 1.00 25.00 C ATOM 160 C LYS A 11 4.301 -10.784 -29.523 1.00 25.00 C ATOM 161 O LYS A 11 5.489 -11.012 -29.730 1.00 25.00 O ATOM 162 CB LYS A 11 3.501 -9.616 -31.551 1.00 25.00 C ATOM 163 CG LYS A 11 2.340 -10.485 -31.998 1.00 25.00 C ATOM 164 CD LYS A 11 2.699 -11.378 -33.244 1.00 25.00 C ATOM 165 CE LYS A 11 3.136 -10.602 -34.499 1.00 25.00 C ATOM 166 NZ LYS A 11 3.023 -11.496 -35.726 1.00 25.00 N ATOM 0 H LYS A 11 5.326 -8.280 -30.396 1.00 25.00 H new ATOM 0 HA LYS A 11 2.686 -9.346 -29.575 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.371 -8.616 -31.965 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.423 -10.018 -31.972 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.032 -11.126 -31.172 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.489 -9.850 -32.243 1.00 25.00 H new ATOM 0 HD2 LYS A 11 3.499 -12.063 -32.962 1.00 25.00 H new ATOM 0 HD3 LYS A 11 1.832 -11.988 -33.497 1.00 25.00 H new ATOM 0 HE2 LYS A 11 2.513 -9.716 -34.625 1.00 25.00 H new ATOM 0 HE3 LYS A 11 4.163 -10.256 -34.384 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.320 -10.966 -36.570 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 3.635 -12.328 -35.607 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.037 -11.805 -35.840 1.00 25.00 H new ATOM 180 N ALA A 12 3.514 -11.650 -28.901 1.00 25.00 N ATOM 181 CA ALA A 12 3.989 -12.945 -28.519 1.00 25.00 C ATOM 182 C ALA A 12 4.104 -13.814 -29.791 1.00 25.00 C ATOM 183 O ALA A 12 3.187 -13.794 -30.597 1.00 25.00 O ATOM 184 CB ALA A 12 3.066 -13.602 -27.483 1.00 25.00 C ATOM 0 H ALA A 12 2.541 -11.465 -28.655 1.00 25.00 H new ATOM 0 HA ALA A 12 4.966 -12.847 -28.046 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.458 -14.584 -27.217 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.017 -12.977 -26.591 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.067 -13.713 -27.904 1.00 25.00 H new ATOM 190 N LEU A 13 5.197 -14.520 -29.913 1.00 25.00 N ATOM 191 CA LEU A 13 5.473 -15.428 -31.040 1.00 25.00 C ATOM 192 C LEU A 13 5.068 -16.863 -30.732 1.00 25.00 C ATOM 193 O LEU A 13 4.639 -17.608 -31.592 1.00 25.00 O ATOM 194 CB LEU A 13 6.960 -15.434 -31.373 1.00 25.00 C ATOM 195 CG LEU A 13 7.567 -14.116 -31.896 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.020 -14.324 -32.121 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.901 -13.654 -33.230 1.00 25.00 C ATOM 0 H LEU A 13 5.950 -14.492 -29.225 1.00 25.00 H new ATOM 0 HA LEU A 13 4.886 -15.057 -31.881 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.507 -15.726 -30.476 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.136 -16.208 -32.120 1.00 25.00 H new ATOM 0 HG LEU A 13 7.391 -13.338 -31.153 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.467 -13.401 -32.491 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.497 -14.607 -31.182 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.165 -15.117 -32.855 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.359 -12.722 -33.562 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.044 -14.420 -33.992 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.835 -13.497 -33.069 1.00 25.00 H new ATOM 209 N TYR A 14 5.202 -17.226 -29.487 1.00 25.00 N ATOM 210 CA TYR A 14 4.919 -18.576 -28.985 1.00 25.00 C ATOM 211 C TYR A 14 3.839 -18.422 -27.895 1.00 25.00 C ATOM 212 O TYR A 14 3.622 -17.332 -27.389 1.00 25.00 O ATOM 213 CB TYR A 14 6.192 -19.192 -28.415 1.00 25.00 C ATOM 214 CG TYR A 14 7.361 -19.218 -29.372 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.523 -20.283 -30.243 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.266 -18.133 -29.439 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.626 -20.314 -31.118 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.360 -18.164 -30.320 1.00 25.00 C ATOM 219 CZ TYR A 14 9.527 -19.268 -31.161 1.00 25.00 C ATOM 220 OH TYR A 14 10.606 -19.273 -32.018 1.00 25.00 O ATOM 0 H TYR A 14 5.519 -16.586 -28.759 1.00 25.00 H new ATOM 0 HA TYR A 14 4.568 -19.237 -29.778 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.481 -18.636 -27.523 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.976 -20.212 -28.098 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.804 -21.089 -30.251 1.00 25.00 H new ATOM 0 HD2 TYR A 14 8.114 -17.271 -28.806 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.769 -21.167 -31.764 1.00 25.00 H new ATOM 0 HE2 TYR A 14 10.063 -17.345 -30.347 1.00 25.00 H new ATOM 0 HH TYR A 14 11.122 -18.448 -31.899 1.00 25.00 H new ATOM 230 N ASP A 15 3.167 -19.493 -27.548 1.00 25.00 N ATOM 231 CA ASP A 15 2.158 -19.468 -26.484 1.00 25.00 C ATOM 232 C ASP A 15 2.732 -20.016 -25.179 1.00 25.00 C ATOM 233 O ASP A 15 3.709 -20.800 -25.187 1.00 25.00 O ATOM 234 CB ASP A 15 0.936 -20.303 -26.914 1.00 25.00 C ATOM 235 CG ASP A 15 1.297 -21.730 -27.234 1.00 25.00 C ATOM 236 OD1 ASP A 15 0.723 -22.626 -26.579 1.00 25.00 O ATOM 237 OD2 ASP A 15 2.028 -22.015 -28.253 1.00 25.00 O ATOM 0 H ASP A 15 3.293 -20.407 -27.984 1.00 25.00 H new ATOM 0 HA ASP A 15 1.853 -18.435 -26.315 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.192 -20.290 -26.117 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.475 -19.843 -27.788 1.00 25.00 H new ATOM 242 N ASN A 16 2.231 -19.507 -24.073 1.00 25.00 N ATOM 243 CA ASN A 16 2.777 -19.813 -22.740 1.00 25.00 C ATOM 244 C ASN A 16 1.691 -19.867 -21.681 1.00 25.00 C ATOM 245 O ASN A 16 0.998 -18.887 -21.402 1.00 25.00 O ATOM 246 CB ASN A 16 3.771 -18.735 -22.336 1.00 25.00 C ATOM 247 CG ASN A 16 4.533 -19.108 -21.115 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.360 -19.979 -21.153 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.217 -18.503 -20.003 1.00 25.00 N ATOM 0 H ASN A 16 1.435 -18.869 -24.058 1.00 25.00 H new ATOM 0 HA ASN A 16 3.257 -20.790 -22.804 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.466 -18.557 -23.157 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.240 -17.800 -22.160 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.677 -18.766 -19.131 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.510 -17.767 -20.006 1.00 25.00 H new ATOM 256 N VAL A 17 1.614 -21.009 -21.024 1.00 25.00 N ATOM 257 CA VAL A 17 0.751 -21.205 -19.852 1.00 25.00 C ATOM 258 C VAL A 17 1.553 -20.689 -18.654 1.00 25.00 C ATOM 259 O VAL A 17 2.701 -21.027 -18.484 1.00 25.00 O ATOM 260 CB VAL A 17 0.378 -22.728 -19.662 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.346 -22.960 -18.344 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.530 -23.213 -20.823 1.00 25.00 C ATOM 0 H VAL A 17 2.148 -21.838 -21.283 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.193 -20.672 -19.965 1.00 25.00 H new ATOM 0 HB VAL A 17 1.311 -23.292 -19.659 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.589 -24.018 -18.244 1.00 25.00 H new ATOM 0 HG12 VAL A 17 0.296 -22.655 -17.518 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.265 -22.374 -18.325 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.778 -24.264 -20.676 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.447 -22.623 -20.839 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -0.005 -23.093 -21.770 1.00 25.00 H new ATOM 272 N ALA A 18 0.943 -19.867 -17.802 1.00 25.00 N ATOM 273 CA ALA A 18 1.662 -19.389 -16.650 1.00 25.00 C ATOM 274 C ALA A 18 1.645 -20.467 -15.586 1.00 25.00 C ATOM 275 O ALA A 18 0.579 -20.880 -15.140 1.00 25.00 O ATOM 276 CB ALA A 18 1.043 -18.130 -16.101 1.00 25.00 C ATOM 0 H ALA A 18 -0.017 -19.533 -17.892 1.00 25.00 H new ATOM 0 HA ALA A 18 2.685 -19.158 -16.946 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.609 -17.795 -15.232 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.059 -17.353 -16.866 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.012 -18.329 -15.808 1.00 25.00 H new ATOM 282 N GLU A 19 2.822 -20.902 -15.156 1.00 25.00 N ATOM 283 CA GLU A 19 2.977 -21.960 -14.146 1.00 25.00 C ATOM 284 C GLU A 19 3.296 -21.355 -12.810 1.00 25.00 C ATOM 285 O GLU A 19 3.289 -22.043 -11.779 1.00 25.00 O ATOM 286 CB GLU A 19 4.148 -22.856 -14.569 1.00 25.00 C ATOM 287 CG GLU A 19 4.000 -23.585 -15.939 1.00 25.00 C ATOM 288 CD GLU A 19 3.489 -24.974 -15.733 1.00 25.00 C ATOM 289 OE1 GLU A 19 4.107 -25.948 -16.241 1.00 25.00 O ATOM 290 OE2 GLU A 19 2.442 -25.142 -15.051 1.00 25.00 O ATOM 0 H GLU A 19 3.709 -20.532 -15.497 1.00 25.00 H new ATOM 0 HA GLU A 19 2.052 -22.532 -14.069 1.00 25.00 H new ATOM 0 HB2 GLU A 19 5.051 -22.246 -14.602 1.00 25.00 H new ATOM 0 HB3 GLU A 19 4.300 -23.609 -13.795 1.00 25.00 H new ATOM 0 HG2 GLU A 19 3.317 -23.030 -16.582 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.963 -23.616 -16.448 1.00 25.00 H new ATOM 297 N SER A 20 3.628 -20.071 -12.787 1.00 25.00 N ATOM 298 CA SER A 20 4.043 -19.375 -11.563 1.00 25.00 C ATOM 299 C SER A 20 3.184 -18.132 -11.435 1.00 25.00 C ATOM 300 O SER A 20 2.716 -17.568 -12.412 1.00 25.00 O ATOM 301 CB SER A 20 5.505 -18.980 -11.716 1.00 25.00 C ATOM 302 OG SER A 20 6.335 -20.095 -11.722 1.00 25.00 O ATOM 0 H SER A 20 3.619 -19.476 -13.615 1.00 25.00 H new ATOM 0 HA SER A 20 3.927 -20.004 -10.680 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.637 -18.421 -12.643 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.791 -18.316 -10.900 1.00 25.00 H new ATOM 0 HG SER A 20 7.267 -19.809 -11.823 1.00 25.00 H new ATOM 308 N PRO A 21 2.954 -17.637 -10.195 1.00 25.00 N ATOM 309 CA PRO A 21 2.105 -16.434 -10.156 1.00 25.00 C ATOM 310 C PRO A 21 2.846 -15.165 -10.641 1.00 25.00 C ATOM 311 O PRO A 21 2.209 -14.136 -10.935 1.00 25.00 O ATOM 312 CB PRO A 21 1.705 -16.334 -8.688 1.00 25.00 C ATOM 313 CG PRO A 21 2.863 -16.886 -7.937 1.00 25.00 C ATOM 314 CD PRO A 21 3.362 -18.067 -8.842 1.00 25.00 C ATOM 0 HA PRO A 21 1.250 -16.508 -10.828 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.505 -15.301 -8.403 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.797 -16.902 -8.487 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.641 -16.136 -7.792 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.569 -17.236 -6.947 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.441 -18.204 -8.769 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.901 -19.014 -8.562 1.00 25.00 H new ATOM 322 N ASP A 22 4.167 -15.212 -10.729 1.00 25.00 N ATOM 323 CA ASP A 22 4.931 -14.043 -11.170 1.00 25.00 C ATOM 324 C ASP A 22 4.860 -13.994 -12.705 1.00 25.00 C ATOM 325 O ASP A 22 5.237 -13.009 -13.362 1.00 25.00 O ATOM 326 CB ASP A 22 6.416 -14.205 -10.811 1.00 25.00 C ATOM 327 CG ASP A 22 6.723 -13.811 -9.378 1.00 25.00 C ATOM 328 OD1 ASP A 22 6.508 -12.647 -9.039 1.00 25.00 O ATOM 329 OD2 ASP A 22 7.200 -14.684 -8.599 1.00 25.00 O ATOM 0 H ASP A 22 4.730 -16.032 -10.506 1.00 25.00 H new ATOM 0 HA ASP A 22 4.523 -13.151 -10.695 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.712 -15.242 -10.969 1.00 25.00 H new ATOM 0 HB3 ASP A 22 7.017 -13.596 -11.487 1.00 25.00 H new ATOM 334 N GLU A 23 4.446 -15.094 -13.281 1.00 25.00 N ATOM 335 CA GLU A 23 4.458 -15.253 -14.708 1.00 25.00 C ATOM 336 C GLU A 23 3.168 -14.791 -15.358 1.00 25.00 C ATOM 337 O GLU A 23 2.082 -14.937 -14.799 1.00 25.00 O ATOM 338 CB GLU A 23 4.667 -16.735 -14.993 1.00 25.00 C ATOM 339 CG GLU A 23 5.179 -17.048 -16.377 1.00 25.00 C ATOM 340 CD GLU A 23 5.395 -18.488 -16.552 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.036 -19.234 -15.667 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.966 -18.915 -17.618 1.00 25.00 O ATOM 0 H GLU A 23 4.092 -15.903 -12.771 1.00 25.00 H new ATOM 0 HA GLU A 23 5.255 -14.638 -15.126 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.369 -17.135 -14.262 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.721 -17.256 -14.845 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.465 -16.692 -17.120 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.113 -16.514 -16.551 1.00 25.00 H new ATOM 349 N LEU A 24 3.277 -14.220 -16.537 1.00 25.00 N ATOM 350 CA LEU A 24 2.075 -13.796 -17.254 1.00 25.00 C ATOM 351 C LEU A 24 1.586 -14.899 -18.177 1.00 25.00 C ATOM 352 O LEU A 24 2.339 -15.441 -18.987 1.00 25.00 O ATOM 353 CB LEU A 24 2.362 -12.558 -18.078 1.00 25.00 C ATOM 354 CG LEU A 24 1.458 -11.342 -17.765 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.851 -10.144 -18.651 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.022 -11.710 -17.943 1.00 25.00 C ATOM 0 H LEU A 24 4.158 -14.038 -17.018 1.00 25.00 H new ATOM 0 HA LEU A 24 1.305 -13.574 -16.515 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.401 -12.269 -17.922 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.255 -12.809 -19.133 1.00 25.00 H new ATOM 0 HG LEU A 24 1.603 -11.053 -16.724 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.207 -9.295 -18.421 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.890 -9.875 -18.459 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.734 -10.414 -19.701 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.642 -10.842 -17.718 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.197 -12.025 -18.972 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.278 -12.524 -17.265 1.00 25.00 H new ATOM 368 N SER A 25 0.321 -15.192 -18.039 1.00 25.00 N ATOM 369 CA SER A 25 -0.334 -16.109 -18.977 1.00 25.00 C ATOM 370 C SER A 25 -0.487 -15.306 -20.266 1.00 25.00 C ATOM 371 O SER A 25 -0.921 -14.161 -20.248 1.00 25.00 O ATOM 372 CB SER A 25 -1.672 -16.611 -18.441 1.00 25.00 C ATOM 373 OG SER A 25 -2.222 -17.628 -19.272 1.00 25.00 O ATOM 0 H SER A 25 -0.282 -14.824 -17.303 1.00 25.00 H new ATOM 0 HA SER A 25 0.250 -17.015 -19.138 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.538 -16.999 -17.431 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.372 -15.779 -18.372 1.00 25.00 H new ATOM 0 HG SER A 25 -3.077 -17.928 -18.899 1.00 25.00 H new ATOM 379 N PHE A 26 -0.087 -15.901 -21.385 1.00 25.00 N ATOM 380 CA PHE A 26 -0.277 -15.276 -22.699 1.00 25.00 C ATOM 381 C PHE A 26 -0.304 -16.354 -23.797 1.00 25.00 C ATOM 382 O PHE A 26 -0.008 -17.526 -23.547 1.00 25.00 O ATOM 383 CB PHE A 26 0.811 -14.225 -22.997 1.00 25.00 C ATOM 384 CG PHE A 26 2.197 -14.795 -23.131 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.060 -14.735 -22.020 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.632 -15.305 -24.334 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.350 -15.214 -22.163 1.00 25.00 C ATOM 388 CE2 PHE A 26 3.969 -15.796 -24.477 1.00 25.00 C ATOM 389 CZ PHE A 26 4.804 -15.712 -23.385 1.00 25.00 C ATOM 0 H PHE A 26 0.370 -16.812 -21.414 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.234 -14.755 -22.686 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.554 -13.703 -23.919 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.811 -13.482 -22.200 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.723 -14.325 -21.079 1.00 25.00 H new ATOM 0 HD2 PHE A 26 1.958 -15.335 -25.177 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.017 -15.202 -21.314 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.312 -16.218 -25.410 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.830 -16.038 -23.476 1.00 25.00 H new ATOM 399 N ARG A 27 -0.725 -15.968 -25.006 1.00 25.00 N ATOM 400 CA ARG A 27 -0.814 -16.902 -26.100 1.00 25.00 C ATOM 401 C ARG A 27 -0.189 -16.283 -27.338 1.00 25.00 C ATOM 402 O ARG A 27 -0.072 -15.064 -27.434 1.00 25.00 O ATOM 403 CB ARG A 27 -2.269 -17.313 -26.356 1.00 25.00 C ATOM 404 CG ARG A 27 -2.966 -17.840 -25.079 1.00 25.00 C ATOM 405 CD ARG A 27 -4.135 -18.774 -25.391 1.00 25.00 C ATOM 406 NE ARG A 27 -5.049 -18.983 -24.246 1.00 25.00 N ATOM 407 CZ ARG A 27 -4.846 -19.841 -23.248 1.00 25.00 C ATOM 408 NH1 ARG A 27 -3.761 -20.551 -23.135 1.00 25.00 N ATOM 409 NH2 ARG A 27 -5.762 -19.982 -22.327 1.00 25.00 N ATOM 0 H ARG A 27 -1.006 -15.015 -25.237 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.266 -17.809 -25.843 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.823 -16.457 -26.742 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.296 -18.084 -27.126 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.238 -18.368 -24.464 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.327 -16.996 -24.492 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.702 -18.366 -26.228 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -3.742 -19.739 -25.712 1.00 25.00 H new ATOM 0 HE ARG A 27 -5.903 -18.425 -24.219 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -3.019 -20.463 -23.830 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -3.652 -21.195 -22.352 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.623 -19.437 -22.377 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -5.616 -20.637 -21.559 1.00 25.00 H new ATOM 423 N LYS A 28 0.181 -17.118 -28.288 1.00 25.00 N ATOM 424 CA LYS A 28 0.787 -16.623 -29.501 1.00 25.00 C ATOM 425 C LYS A 28 -0.245 -15.745 -30.208 1.00 25.00 C ATOM 426 O LYS A 28 -1.413 -16.057 -30.246 1.00 25.00 O ATOM 427 CB LYS A 28 1.190 -17.798 -30.401 1.00 25.00 C ATOM 428 CG LYS A 28 0.055 -18.810 -30.714 1.00 25.00 C ATOM 429 CD LYS A 28 0.617 -20.107 -31.240 1.00 25.00 C ATOM 430 CE LYS A 28 -0.518 -21.110 -31.490 1.00 25.00 C ATOM 431 NZ LYS A 28 0.042 -22.492 -31.852 1.00 25.00 N ATOM 0 H LYS A 28 0.073 -18.131 -28.242 1.00 25.00 H new ATOM 0 HA LYS A 28 1.684 -16.047 -29.276 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.570 -17.400 -31.342 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.012 -18.334 -29.926 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.526 -19.001 -29.812 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.627 -18.381 -31.448 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.164 -19.927 -32.165 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.328 -20.521 -30.525 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -1.142 -21.188 -30.600 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -1.156 -20.749 -32.297 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -0.744 -23.153 -32.016 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 0.618 -22.418 -32.715 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.632 -22.843 -31.071 1.00 25.00 H new ATOM 445 N GLY A 29 0.234 -14.642 -30.753 1.00 25.00 N ATOM 446 CA GLY A 29 -0.643 -13.720 -31.481 1.00 25.00 C ATOM 447 C GLY A 29 -1.142 -12.599 -30.621 1.00 25.00 C ATOM 448 O GLY A 29 -1.701 -11.642 -31.145 1.00 25.00 O ATOM 0 H GLY A 29 1.213 -14.358 -30.711 1.00 25.00 H new ATOM 0 HA2 GLY A 29 -0.103 -13.307 -32.333 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.493 -14.273 -31.881 1.00 25.00 H new ATOM 452 N ASP A 30 -0.961 -12.703 -29.325 1.00 25.00 N ATOM 453 CA ASP A 30 -1.413 -11.679 -28.373 1.00 25.00 C ATOM 454 C ASP A 30 -0.353 -10.588 -28.271 1.00 25.00 C ATOM 455 O ASP A 30 0.815 -10.851 -28.610 1.00 25.00 O ATOM 456 CB ASP A 30 -1.626 -12.337 -27.002 1.00 25.00 C ATOM 457 CG ASP A 30 -2.679 -11.631 -26.146 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.025 -10.474 -26.442 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.221 -12.262 -25.195 1.00 25.00 O ATOM 0 H ASP A 30 -0.496 -13.498 -28.886 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.349 -11.235 -28.711 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.924 -13.375 -27.148 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.679 -12.350 -26.462 1.00 25.00 H new ATOM 464 N ILE A 31 -0.750 -9.410 -27.848 1.00 25.00 N ATOM 465 CA ILE A 31 0.181 -8.273 -27.790 1.00 25.00 C ATOM 466 C ILE A 31 0.129 -7.639 -26.382 1.00 25.00 C ATOM 467 O ILE A 31 -0.915 -7.347 -25.849 1.00 25.00 O ATOM 468 CB ILE A 31 -0.170 -7.161 -28.891 1.00 25.00 C ATOM 469 CG1 ILE A 31 0.144 -7.666 -30.302 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.635 -5.854 -28.699 1.00 25.00 C ATOM 471 CD1 ILE A 31 -1.103 -8.134 -31.010 1.00 25.00 C ATOM 0 H ILE A 31 -1.699 -9.200 -27.539 1.00 25.00 H new ATOM 0 HA ILE A 31 1.183 -8.647 -28.000 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.234 -6.960 -28.766 1.00 25.00 H new ATOM 0 HG12 ILE A 31 0.614 -6.870 -30.879 1.00 25.00 H new ATOM 0 HG13 ILE A 31 0.861 -8.485 -30.246 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.356 -5.138 -29.472 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.416 -5.432 -27.718 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.701 -6.069 -28.771 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.844 -8.486 -32.009 1.00 25.00 H new ATOM 0 HD12 ILE A 31 -1.558 -8.948 -30.445 1.00 25.00 H new ATOM 0 HD13 ILE A 31 -1.809 -7.307 -31.088 1.00 25.00 H new ATOM 483 N MET A 32 1.316 -7.420 -25.800 1.00 25.00 N ATOM 484 CA MET A 32 1.439 -6.893 -24.468 1.00 25.00 C ATOM 485 C MET A 32 2.448 -5.746 -24.416 1.00 25.00 C ATOM 486 O MET A 32 3.422 -5.760 -25.171 1.00 25.00 O ATOM 487 CB MET A 32 1.793 -7.997 -23.434 1.00 25.00 C ATOM 488 CG MET A 32 3.070 -8.814 -23.724 1.00 25.00 C ATOM 489 SD MET A 32 3.132 -9.872 -25.242 1.00 25.00 S ATOM 490 CE MET A 32 1.961 -11.158 -24.729 1.00 25.00 C ATOM 0 H MET A 32 2.209 -7.609 -26.255 1.00 25.00 H new ATOM 0 HA MET A 32 0.462 -6.495 -24.192 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.900 -7.529 -22.455 1.00 25.00 H new ATOM 0 HB3 MET A 32 0.952 -8.687 -23.367 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.904 -8.114 -23.776 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.250 -9.460 -22.865 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.494 -12.098 -24.583 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.483 -10.863 -23.795 1.00 25.00 H new ATOM 0 HE3 MET A 32 1.201 -11.287 -25.500 1.00 25.00 H new ATOM 500 N THR A 33 2.193 -4.749 -23.593 1.00 25.00 N ATOM 501 CA THR A 33 3.120 -3.629 -23.376 1.00 25.00 C ATOM 502 C THR A 33 4.251 -4.118 -22.515 1.00 25.00 C ATOM 503 O THR A 33 3.993 -4.788 -21.505 1.00 25.00 O ATOM 504 CB THR A 33 2.384 -2.458 -22.646 1.00 25.00 C ATOM 505 OG1 THR A 33 1.114 -2.250 -23.271 1.00 25.00 O ATOM 506 CG2 THR A 33 3.141 -1.168 -22.668 1.00 25.00 C ATOM 0 H THR A 33 1.334 -4.682 -23.047 1.00 25.00 H new ATOM 0 HA THR A 33 3.494 -3.266 -24.333 1.00 25.00 H new ATOM 0 HB THR A 33 2.283 -2.753 -21.601 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.643 -1.519 -22.820 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.570 -0.402 -22.143 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.104 -1.303 -22.176 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.301 -0.858 -23.701 1.00 25.00 H new ATOM 514 N VAL A 34 5.485 -3.785 -22.899 1.00 25.00 N ATOM 515 CA VAL A 34 6.665 -4.085 -22.099 1.00 25.00 C ATOM 516 C VAL A 34 6.998 -2.838 -21.253 1.00 25.00 C ATOM 517 O VAL A 34 7.101 -1.735 -21.817 1.00 25.00 O ATOM 518 CB VAL A 34 7.892 -4.472 -23.016 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.113 -4.743 -22.157 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.591 -5.711 -23.904 1.00 25.00 C ATOM 0 H VAL A 34 5.690 -3.300 -23.773 1.00 25.00 H new ATOM 0 HA VAL A 34 6.462 -4.939 -21.453 1.00 25.00 H new ATOM 0 HB VAL A 34 8.083 -3.629 -23.679 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.955 -5.009 -22.796 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.360 -3.849 -21.584 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.902 -5.565 -21.473 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.463 -5.940 -24.517 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.359 -6.566 -23.269 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.739 -5.497 -24.550 1.00 25.00 H new ATOM 530 N LEU A 35 7.087 -3.009 -19.941 1.00 25.00 N ATOM 531 CA LEU A 35 7.285 -1.878 -19.037 1.00 25.00 C ATOM 532 C LEU A 35 8.737 -1.688 -18.674 1.00 25.00 C ATOM 533 O LEU A 35 9.243 -0.576 -18.793 1.00 25.00 O ATOM 534 CB LEU A 35 6.413 -2.037 -17.803 1.00 25.00 C ATOM 535 CG LEU A 35 4.905 -2.280 -18.041 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.209 -2.506 -16.691 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.243 -1.091 -18.752 1.00 25.00 C ATOM 0 H LEU A 35 7.026 -3.916 -19.478 1.00 25.00 H new ATOM 0 HA LEU A 35 6.980 -0.971 -19.560 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.803 -2.869 -17.217 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.520 -1.140 -17.193 1.00 25.00 H new ATOM 0 HG LEU A 35 4.803 -3.158 -18.679 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.145 -2.678 -16.854 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.645 -3.375 -16.198 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.342 -1.626 -16.061 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.184 -1.300 -18.901 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.353 -0.195 -18.142 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.721 -0.933 -19.719 1.00 25.00 H new ATOM 549 N GLU A 36 9.401 -2.765 -18.308 1.00 25.00 N ATOM 550 CA GLU A 36 10.836 -2.743 -17.941 1.00 25.00 C ATOM 551 C GLU A 36 11.397 -4.122 -18.358 1.00 25.00 C ATOM 552 O GLU A 36 10.634 -5.015 -18.733 1.00 25.00 O ATOM 553 CB GLU A 36 11.024 -2.554 -16.435 1.00 25.00 C ATOM 554 CG GLU A 36 10.238 -3.518 -15.537 1.00 25.00 C ATOM 555 CD GLU A 36 10.589 -3.326 -14.109 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.715 -3.696 -13.731 1.00 25.00 O ATOM 557 OE2 GLU A 36 9.723 -2.887 -13.318 1.00 25.00 O ATOM 0 H GLU A 36 8.977 -3.691 -18.251 1.00 25.00 H new ATOM 0 HA GLU A 36 11.346 -1.916 -18.434 1.00 25.00 H new ATOM 0 HB2 GLU A 36 12.085 -2.656 -16.205 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.739 -1.534 -16.178 1.00 25.00 H new ATOM 0 HG2 GLU A 36 9.169 -3.359 -15.676 1.00 25.00 H new ATOM 0 HG3 GLU A 36 10.448 -4.546 -15.831 1.00 25.00 H new ATOM 564 N ARG A 37 12.725 -4.253 -18.346 1.00 25.00 N ATOM 565 CA ARG A 37 13.394 -5.502 -18.734 1.00 25.00 C ATOM 566 C ARG A 37 14.209 -5.998 -17.575 1.00 25.00 C ATOM 567 O ARG A 37 14.525 -5.226 -16.719 1.00 25.00 O ATOM 568 CB ARG A 37 14.371 -5.290 -19.888 1.00 25.00 C ATOM 569 CG ARG A 37 13.687 -4.840 -21.190 1.00 25.00 C ATOM 570 CD ARG A 37 14.622 -5.019 -22.374 1.00 25.00 C ATOM 571 NE ARG A 37 14.115 -4.468 -23.639 1.00 25.00 N ATOM 572 CZ ARG A 37 14.587 -4.807 -24.834 1.00 25.00 C ATOM 573 NH1 ARG A 37 15.603 -5.614 -24.978 1.00 25.00 N ATOM 574 NH2 ARG A 37 14.061 -4.316 -25.923 1.00 25.00 N ATOM 0 H ARG A 37 13.363 -3.507 -18.071 1.00 25.00 H new ATOM 0 HA ARG A 37 12.617 -6.205 -19.033 1.00 25.00 H new ATOM 0 HB2 ARG A 37 15.110 -4.543 -19.597 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.912 -6.218 -20.072 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.777 -5.418 -21.348 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.390 -3.794 -21.109 1.00 25.00 H new ATOM 0 HD2 ARG A 37 15.576 -4.545 -22.142 1.00 25.00 H new ATOM 0 HD3 ARG A 37 14.818 -6.083 -22.508 1.00 25.00 H new ATOM 0 HE ARG A 37 13.357 -3.786 -23.597 1.00 25.00 H new ATOM 0 HH11 ARG A 37 16.062 -6.007 -24.157 1.00 25.00 H new ATOM 0 HH12 ARG A 37 15.937 -5.851 -25.912 1.00 25.00 H new ATOM 0 HH21 ARG A 37 13.279 -3.664 -25.863 1.00 25.00 H new ATOM 0 HH22 ARG A 37 14.432 -4.584 -26.834 1.00 25.00 H new ATOM 588 N ASP A 38 14.543 -7.269 -17.593 1.00 25.00 N ATOM 589 CA ASP A 38 15.334 -7.949 -16.563 1.00 25.00 C ATOM 590 C ASP A 38 14.761 -7.695 -15.179 1.00 25.00 C ATOM 591 O ASP A 38 15.442 -7.417 -14.212 1.00 25.00 O ATOM 592 CB ASP A 38 16.823 -7.585 -16.722 1.00 25.00 C ATOM 593 CG ASP A 38 17.343 -7.920 -18.143 1.00 25.00 C ATOM 594 OD1 ASP A 38 18.366 -7.338 -18.559 1.00 25.00 O ATOM 595 OD2 ASP A 38 16.644 -8.701 -18.897 1.00 25.00 O ATOM 0 H ASP A 38 14.265 -7.892 -18.351 1.00 25.00 H new ATOM 0 HA ASP A 38 15.272 -9.029 -16.694 1.00 25.00 H new ATOM 0 HB2 ASP A 38 16.962 -6.522 -16.524 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.412 -8.126 -15.981 1.00 25.00 H new ATOM 600 N THR A 39 13.444 -7.768 -15.127 1.00 25.00 N ATOM 601 CA THR A 39 12.659 -7.316 -13.967 1.00 25.00 C ATOM 602 C THR A 39 12.842 -8.134 -12.701 1.00 25.00 C ATOM 603 O THR A 39 12.576 -7.632 -11.598 1.00 25.00 O ATOM 604 CB THR A 39 11.143 -7.327 -14.351 1.00 25.00 C ATOM 605 OG1 THR A 39 10.375 -6.644 -13.372 1.00 25.00 O ATOM 606 CG2 THR A 39 10.587 -8.760 -14.494 1.00 25.00 C ATOM 0 H THR A 39 12.875 -8.143 -15.886 1.00 25.00 H new ATOM 0 HA THR A 39 13.028 -6.318 -13.733 1.00 25.00 H new ATOM 0 HB THR A 39 11.065 -6.824 -15.315 1.00 25.00 H new ATOM 0 HG1 THR A 39 9.716 -7.258 -12.986 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.531 -8.716 -14.761 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.137 -9.288 -15.273 1.00 25.00 H new ATOM 0 HG23 THR A 39 10.700 -9.290 -13.548 1.00 25.00 H new ATOM 614 N GLN A 40 13.288 -9.366 -12.820 1.00 25.00 N ATOM 615 CA GLN A 40 13.513 -10.203 -11.615 1.00 25.00 C ATOM 616 C GLN A 40 15.024 -10.415 -11.361 1.00 25.00 C ATOM 617 O GLN A 40 15.415 -11.250 -10.559 1.00 25.00 O ATOM 618 CB GLN A 40 12.808 -11.553 -11.809 1.00 25.00 C ATOM 619 CG GLN A 40 12.211 -12.090 -10.524 1.00 25.00 C ATOM 620 CD GLN A 40 11.519 -13.421 -10.741 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.062 -13.696 -11.820 1.00 25.00 O ATOM 622 NE2 GLN A 40 11.473 -14.220 -9.720 1.00 25.00 N ATOM 0 H GLN A 40 13.504 -9.821 -13.707 1.00 25.00 H new ATOM 0 HA GLN A 40 13.101 -9.694 -10.744 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.019 -11.443 -12.553 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.520 -12.277 -12.204 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.997 -12.206 -9.778 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.497 -11.369 -10.125 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.878 -13.933 -8.829 1.00 25.00 H new ATOM 0 HE22 GLN A 40 11.032 -15.136 -9.808 1.00 25.00 H new ATOM 631 N GLY A 41 15.845 -9.702 -12.125 1.00 25.00 N ATOM 632 CA GLY A 41 17.282 -9.885 -12.039 1.00 25.00 C ATOM 633 C GLY A 41 17.727 -11.005 -12.968 1.00 25.00 C ATOM 634 O GLY A 41 18.886 -11.356 -13.071 1.00 25.00 O ATOM 0 H GLY A 41 15.541 -9.002 -12.801 1.00 25.00 H new ATOM 0 HA2 GLY A 41 17.790 -8.958 -12.306 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.565 -10.120 -11.013 1.00 25.00 H new ATOM 638 N LEU A 42 16.746 -11.614 -13.635 1.00 25.00 N ATOM 639 CA LEU A 42 17.011 -12.672 -14.590 1.00 25.00 C ATOM 640 C LEU A 42 17.078 -12.017 -15.960 1.00 25.00 C ATOM 641 O LEU A 42 16.119 -11.378 -16.393 1.00 25.00 O ATOM 642 CB LEU A 42 15.884 -13.715 -14.577 1.00 25.00 C ATOM 643 CG LEU A 42 15.675 -14.495 -13.256 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.384 -15.269 -13.340 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.831 -15.435 -12.962 1.00 25.00 C ATOM 0 H LEU A 42 15.758 -11.386 -13.525 1.00 25.00 H new ATOM 0 HA LEU A 42 17.940 -13.185 -14.341 1.00 25.00 H new ATOM 0 HB2 LEU A 42 14.950 -13.211 -14.826 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.078 -14.436 -15.371 1.00 25.00 H new ATOM 0 HG LEU A 42 15.629 -13.776 -12.438 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.230 -15.821 -12.413 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.555 -14.578 -13.493 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.433 -15.968 -14.175 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.643 -15.962 -12.026 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.927 -16.158 -13.772 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.754 -14.861 -12.876 1.00 25.00 H new ATOM 657 N ASP A 43 18.219 -12.198 -16.622 1.00 25.00 N ATOM 658 CA ASP A 43 18.387 -11.649 -17.946 1.00 25.00 C ATOM 659 C ASP A 43 17.383 -12.343 -18.850 1.00 25.00 C ATOM 660 O ASP A 43 17.273 -13.566 -18.869 1.00 25.00 O ATOM 661 CB ASP A 43 19.811 -11.890 -18.468 1.00 25.00 C ATOM 662 CG ASP A 43 20.856 -11.075 -17.750 1.00 25.00 C ATOM 663 OD1 ASP A 43 22.033 -11.384 -17.920 1.00 25.00 O ATOM 664 OD2 ASP A 43 20.486 -10.126 -17.003 1.00 25.00 O ATOM 0 H ASP A 43 19.023 -12.713 -16.263 1.00 25.00 H new ATOM 0 HA ASP A 43 18.225 -10.571 -17.927 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.053 -12.948 -18.367 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.845 -11.655 -19.532 1.00 25.00 H new ATOM 669 N GLY A 44 16.654 -11.561 -19.647 1.00 25.00 N ATOM 670 CA GLY A 44 15.741 -12.099 -20.651 1.00 25.00 C ATOM 671 C GLY A 44 14.315 -12.115 -20.236 1.00 25.00 C ATOM 672 O GLY A 44 13.427 -12.259 -21.060 1.00 25.00 O ATOM 0 H GLY A 44 16.681 -10.542 -19.614 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.835 -11.510 -21.563 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.047 -13.116 -20.896 1.00 25.00 H new ATOM 676 N TRP A 45 14.058 -11.901 -18.947 1.00 25.00 N ATOM 677 CA TRP A 45 12.683 -11.844 -18.418 1.00 25.00 C ATOM 678 C TRP A 45 12.186 -10.397 -18.283 1.00 25.00 C ATOM 679 O TRP A 45 12.733 -9.626 -17.516 1.00 25.00 O ATOM 680 CB TRP A 45 12.608 -12.532 -17.071 1.00 25.00 C ATOM 681 CG TRP A 45 12.749 -14.010 -17.236 1.00 25.00 C ATOM 682 CD1 TRP A 45 13.866 -14.744 -17.192 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.692 -14.958 -17.518 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.644 -16.066 -17.394 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.306 -16.238 -17.608 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.308 -14.869 -17.741 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.578 -17.421 -17.856 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.560 -16.039 -17.999 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.206 -17.312 -18.055 1.00 25.00 C ATOM 0 H TRP A 45 14.782 -11.763 -18.242 1.00 25.00 H new ATOM 0 HA TRP A 45 12.039 -12.361 -19.130 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.395 -12.155 -16.418 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.657 -12.302 -16.590 1.00 25.00 H new ATOM 0 HD1 TRP A 45 14.846 -14.326 -17.014 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.351 -16.802 -17.387 1.00 25.00 H new ATOM 0 HE3 TRP A 45 9.817 -13.908 -17.715 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.071 -18.381 -17.890 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.493 -15.971 -18.155 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.623 -18.199 -18.254 1.00 25.00 H new ATOM 700 N TRP A 46 11.231 -10.014 -19.126 1.00 25.00 N ATOM 701 CA TRP A 46 10.753 -8.644 -19.180 1.00 25.00 C ATOM 702 C TRP A 46 9.420 -8.560 -18.439 1.00 25.00 C ATOM 703 O TRP A 46 8.629 -9.499 -18.477 1.00 25.00 O ATOM 704 CB TRP A 46 10.531 -8.260 -20.614 1.00 25.00 C ATOM 705 CG TRP A 46 11.739 -8.318 -21.517 1.00 25.00 C ATOM 706 CD1 TRP A 46 13.023 -8.553 -21.163 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.756 -8.159 -22.949 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.843 -8.590 -22.235 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.116 -8.335 -23.355 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.776 -7.875 -23.938 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.500 -8.275 -24.706 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.174 -7.790 -25.290 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.546 -7.978 -25.661 1.00 25.00 C ATOM 0 H TRP A 46 10.772 -10.643 -19.785 1.00 25.00 H new ATOM 0 HA TRP A 46 11.483 -7.976 -18.723 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.763 -8.913 -21.028 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.134 -7.245 -20.639 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.353 -8.694 -20.144 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.845 -8.779 -22.209 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.743 -7.727 -23.660 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.525 -8.458 -24.993 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.438 -7.581 -26.052 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.837 -7.887 -26.697 1.00 25.00 H new ATOM 724 N LEU A 47 9.141 -7.448 -17.763 1.00 25.00 N ATOM 725 CA LEU A 47 7.843 -7.268 -17.159 1.00 25.00 C ATOM 726 C LEU A 47 6.926 -6.708 -18.220 1.00 25.00 C ATOM 727 O LEU A 47 7.199 -5.649 -18.766 1.00 25.00 O ATOM 728 CB LEU A 47 7.904 -6.314 -15.958 1.00 25.00 C ATOM 729 CG LEU A 47 6.687 -6.288 -15.030 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.694 -7.518 -14.134 1.00 25.00 C ATOM 731 CD2 LEU A 47 6.678 -4.994 -14.181 1.00 25.00 C ATOM 0 H LEU A 47 9.792 -6.674 -17.626 1.00 25.00 H new ATOM 0 HA LEU A 47 7.477 -8.224 -16.786 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.779 -6.574 -15.362 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.064 -5.304 -16.335 1.00 25.00 H new ATOM 0 HG LEU A 47 5.781 -6.300 -15.636 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.825 -7.494 -13.476 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.658 -8.417 -14.750 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.604 -7.526 -13.534 1.00 25.00 H new ATOM 0 HD21 LEU A 47 5.806 -4.994 -13.528 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.584 -4.949 -13.577 1.00 25.00 H new ATOM 0 HD23 LEU A 47 6.638 -4.127 -14.840 1.00 25.00 H new ATOM 743 N CYS A 48 5.848 -7.401 -18.501 1.00 25.00 N ATOM 744 CA CYS A 48 4.898 -6.923 -19.482 1.00 25.00 C ATOM 745 C CYS A 48 3.525 -6.837 -18.821 1.00 25.00 C ATOM 746 O CYS A 48 3.305 -7.361 -17.737 1.00 25.00 O ATOM 747 CB CYS A 48 4.892 -7.899 -20.659 1.00 25.00 C ATOM 748 SG CYS A 48 6.523 -8.266 -21.307 1.00 25.00 S ATOM 0 H CYS A 48 5.606 -8.292 -18.068 1.00 25.00 H new ATOM 0 HA CYS A 48 5.166 -5.933 -19.852 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.419 -8.829 -20.344 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.279 -7.484 -21.459 1.00 25.00 H new ATOM 0 HG CYS A 48 6.409 -8.927 -22.421 1.00 25.00 H new ATOM 754 N SER A 49 2.576 -6.127 -19.451 1.00 25.00 N ATOM 755 CA SER A 49 1.234 -5.934 -18.910 1.00 25.00 C ATOM 756 C SER A 49 0.204 -6.412 -19.935 1.00 25.00 C ATOM 757 O SER A 49 0.310 -6.072 -21.114 1.00 25.00 O ATOM 758 CB SER A 49 0.983 -4.447 -18.610 1.00 25.00 C ATOM 759 OG SER A 49 -0.352 -4.294 -18.153 1.00 25.00 O ATOM 0 H SER A 49 2.725 -5.672 -20.352 1.00 25.00 H new ATOM 0 HA SER A 49 1.144 -6.505 -17.986 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.684 -4.090 -17.855 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.147 -3.848 -19.506 1.00 25.00 H new ATOM 0 HG SER A 49 -0.524 -3.349 -17.956 1.00 25.00 H new ATOM 765 N LEU A 50 -0.684 -7.263 -19.468 1.00 25.00 N ATOM 766 CA LEU A 50 -1.725 -7.906 -20.275 1.00 25.00 C ATOM 767 C LEU A 50 -2.874 -8.381 -19.388 1.00 25.00 C ATOM 768 O LEU A 50 -2.650 -8.658 -18.220 1.00 25.00 O ATOM 769 CB LEU A 50 -1.132 -9.145 -20.964 1.00 25.00 C ATOM 770 CG LEU A 50 -2.021 -9.978 -21.882 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.368 -9.196 -23.176 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.342 -11.298 -22.202 1.00 25.00 C ATOM 0 H LEU A 50 -0.711 -7.542 -18.487 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.092 -7.182 -21.003 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.272 -8.817 -21.548 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.754 -9.806 -20.184 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.958 -10.188 -21.367 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -3.003 -9.811 -23.814 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.896 -8.278 -22.916 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.450 -8.948 -23.709 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.983 -11.887 -22.858 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.391 -11.107 -22.700 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.164 -11.849 -21.278 1.00 25.00 H new ATOM 784 N HIS A 51 -4.106 -8.443 -19.930 1.00 25.00 N ATOM 785 CA HIS A 51 -5.285 -8.878 -19.163 1.00 25.00 C ATOM 786 C HIS A 51 -5.447 -8.021 -17.882 1.00 25.00 C ATOM 787 O HIS A 51 -5.841 -8.505 -16.828 1.00 25.00 O ATOM 788 CB HIS A 51 -5.173 -10.365 -18.806 1.00 25.00 C ATOM 789 CG HIS A 51 -6.483 -11.055 -18.578 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.189 -10.951 -17.426 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.219 -11.870 -19.372 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.295 -11.662 -17.534 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.355 -12.260 -18.713 1.00 25.00 N ATOM 0 H HIS A 51 -4.309 -8.196 -20.899 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.171 -8.738 -19.783 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.642 -10.878 -19.608 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.565 -10.464 -17.907 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -6.910 -10.410 -16.607 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.950 -12.168 -20.375 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.049 -11.745 -16.765 1.00 25.00 H new ATOM 801 N GLY A 52 -5.039 -6.763 -17.970 1.00 25.00 N ATOM 802 CA GLY A 52 -5.062 -5.878 -16.802 1.00 25.00 C ATOM 803 C GLY A 52 -4.167 -6.227 -15.630 1.00 25.00 C ATOM 804 O GLY A 52 -4.460 -5.829 -14.521 1.00 25.00 O ATOM 0 H GLY A 52 -4.691 -6.331 -18.826 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.798 -4.875 -17.137 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.088 -5.832 -16.437 1.00 25.00 H new ATOM 808 N ARG A 53 -3.097 -7.018 -15.847 1.00 25.00 N ATOM 809 CA ARG A 53 -2.197 -7.450 -14.780 1.00 25.00 C ATOM 810 C ARG A 53 -0.816 -7.473 -15.379 1.00 25.00 C ATOM 811 O ARG A 53 -0.711 -7.374 -16.597 1.00 25.00 O ATOM 812 CB ARG A 53 -2.580 -8.833 -14.211 1.00 25.00 C ATOM 813 CG ARG A 53 -2.489 -9.975 -15.224 1.00 25.00 C ATOM 814 CD ARG A 53 -3.212 -11.190 -14.722 1.00 25.00 C ATOM 815 NE ARG A 53 -3.407 -12.134 -15.798 1.00 25.00 N ATOM 816 CZ ARG A 53 -4.132 -13.232 -15.710 1.00 25.00 C ATOM 817 NH1 ARG A 53 -4.672 -13.645 -14.596 1.00 25.00 N ATOM 818 NH2 ARG A 53 -4.335 -13.934 -16.795 1.00 25.00 N ATOM 0 H ARG A 53 -2.840 -7.370 -16.769 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.256 -6.765 -13.934 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.929 -9.059 -13.366 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -3.598 -8.785 -13.825 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -2.917 -9.659 -16.175 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -1.443 -10.219 -15.411 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -2.641 -11.656 -13.919 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -4.176 -10.901 -14.302 1.00 25.00 H new ATOM 0 HE ARG A 53 -2.952 -11.937 -16.689 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -4.542 -13.110 -13.737 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -5.224 -14.503 -14.584 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -3.936 -13.628 -17.682 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -4.892 -14.787 -16.754 1.00 25.00 H new ATOM 832 N GLN A 54 0.212 -7.550 -14.558 1.00 25.00 N ATOM 833 CA GLN A 54 1.567 -7.503 -15.070 1.00 25.00 C ATOM 834 C GLN A 54 2.214 -8.829 -14.714 1.00 25.00 C ATOM 835 O GLN A 54 1.749 -9.534 -13.814 1.00 25.00 O ATOM 836 CB GLN A 54 2.315 -6.350 -14.406 1.00 25.00 C ATOM 837 CG GLN A 54 1.787 -4.981 -14.786 1.00 25.00 C ATOM 838 CD GLN A 54 1.697 -4.076 -13.590 1.00 25.00 C ATOM 839 OE1 GLN A 54 0.968 -4.355 -12.628 1.00 25.00 O ATOM 840 NE2 GLN A 54 2.391 -2.968 -13.607 1.00 25.00 N ATOM 0 H GLN A 54 0.138 -7.644 -13.545 1.00 25.00 H new ATOM 0 HA GLN A 54 1.587 -7.344 -16.148 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.255 -6.465 -13.324 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.370 -6.410 -14.675 1.00 25.00 H new ATOM 0 HG2 GLN A 54 2.440 -4.533 -15.535 1.00 25.00 H new ATOM 0 HG3 GLN A 54 0.802 -5.083 -15.242 1.00 25.00 H new ATOM 0 HE21 GLN A 54 2.987 -2.752 -14.406 1.00 25.00 H new ATOM 0 HE22 GLN A 54 2.336 -2.320 -12.821 1.00 25.00 H new ATOM 849 N GLY A 55 3.303 -9.164 -15.407 1.00 25.00 N ATOM 850 CA GLY A 55 4.044 -10.385 -15.091 1.00 25.00 C ATOM 851 C GLY A 55 5.291 -10.563 -15.961 1.00 25.00 C ATOM 852 O GLY A 55 5.440 -9.867 -16.974 1.00 25.00 O ATOM 0 H GLY A 55 3.686 -8.617 -16.178 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.338 -10.365 -14.042 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.389 -11.246 -15.222 1.00 25.00 H new ATOM 856 N ILE A 56 6.150 -11.481 -15.548 1.00 25.00 N ATOM 857 CA ILE A 56 7.369 -11.736 -16.267 1.00 25.00 C ATOM 858 C ILE A 56 7.053 -12.503 -17.572 1.00 25.00 C ATOM 859 O ILE A 56 6.147 -13.321 -17.657 1.00 25.00 O ATOM 860 CB ILE A 56 8.395 -12.519 -15.359 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.073 -13.992 -15.176 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.559 -11.860 -14.013 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.139 -14.763 -14.484 1.00 25.00 C ATOM 0 H ILE A 56 6.018 -12.058 -14.717 1.00 25.00 H new ATOM 0 HA ILE A 56 7.836 -10.789 -16.536 1.00 25.00 H new ATOM 0 HB ILE A 56 9.337 -12.473 -15.906 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.147 -14.083 -14.609 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.893 -14.438 -16.154 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.273 -12.427 -13.415 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.926 -10.843 -14.148 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.597 -11.834 -13.501 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.833 -15.805 -14.392 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.062 -14.705 -15.060 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.304 -14.345 -13.491 1.00 25.00 H new ATOM 875 N VAL A 57 7.791 -12.207 -18.632 1.00 25.00 N ATOM 876 CA VAL A 57 7.635 -12.844 -19.944 1.00 25.00 C ATOM 877 C VAL A 57 9.030 -13.012 -20.548 1.00 25.00 C ATOM 878 O VAL A 57 9.801 -12.071 -20.523 1.00 25.00 O ATOM 879 CB VAL A 57 6.860 -11.925 -20.899 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.779 -12.526 -22.273 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.444 -11.617 -20.334 1.00 25.00 C ATOM 0 H VAL A 57 8.531 -11.505 -18.610 1.00 25.00 H new ATOM 0 HA VAL A 57 7.108 -13.790 -19.818 1.00 25.00 H new ATOM 0 HB VAL A 57 7.401 -10.982 -20.982 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.225 -11.856 -22.931 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.785 -12.671 -22.666 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.268 -13.487 -22.220 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.911 -10.964 -21.025 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.890 -12.548 -20.213 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.538 -11.123 -19.367 1.00 25.00 H new ATOM 891 N PRO A 58 9.352 -14.196 -21.114 1.00 25.00 N ATOM 892 CA PRO A 58 10.662 -14.267 -21.730 1.00 25.00 C ATOM 893 C PRO A 58 10.745 -13.493 -23.068 1.00 25.00 C ATOM 894 O PRO A 58 10.042 -13.831 -24.051 1.00 25.00 O ATOM 895 CB PRO A 58 10.876 -15.750 -21.951 1.00 25.00 C ATOM 896 CG PRO A 58 9.481 -16.275 -22.148 1.00 25.00 C ATOM 897 CD PRO A 58 8.644 -15.501 -21.215 1.00 25.00 C ATOM 0 HA PRO A 58 11.423 -13.805 -21.101 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.504 -15.941 -22.821 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.365 -16.218 -21.096 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.151 -16.140 -23.178 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.427 -17.342 -21.933 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.629 -15.379 -21.593 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.566 -15.991 -20.245 1.00 25.00 H new ATOM 905 N GLY A 59 11.585 -12.463 -23.122 1.00 25.00 N ATOM 906 CA GLY A 59 11.650 -11.611 -24.317 1.00 25.00 C ATOM 907 C GLY A 59 12.024 -12.320 -25.564 1.00 25.00 C ATOM 908 O GLY A 59 11.714 -11.893 -26.670 1.00 25.00 O ATOM 0 H GLY A 59 12.221 -12.197 -22.370 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.679 -11.137 -24.462 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.371 -10.813 -24.139 1.00 25.00 H new ATOM 912 N ASN A 60 12.696 -13.449 -25.444 1.00 25.00 N ATOM 913 CA ASN A 60 13.125 -14.270 -26.587 1.00 25.00 C ATOM 914 C ASN A 60 11.964 -14.904 -27.311 1.00 25.00 C ATOM 915 O ASN A 60 12.138 -15.562 -28.326 1.00 25.00 O ATOM 916 CB ASN A 60 14.017 -15.408 -26.112 1.00 25.00 C ATOM 917 CG ASN A 60 15.393 -14.933 -25.777 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.573 -14.112 -24.921 1.00 25.00 O ATOM 919 ND2 ASN A 60 16.377 -15.398 -26.539 1.00 25.00 N ATOM 0 H ASN A 60 12.969 -13.837 -24.541 1.00 25.00 H new ATOM 0 HA ASN A 60 13.651 -13.594 -27.261 1.00 25.00 H new ATOM 0 HB2 ASN A 60 13.571 -15.877 -25.235 1.00 25.00 H new ATOM 0 HB3 ASN A 60 14.075 -16.172 -26.887 1.00 25.00 H new ATOM 0 HD21 ASN A 60 17.329 -15.057 -26.407 1.00 25.00 H new ATOM 0 HD22 ASN A 60 16.180 -16.096 -27.256 1.00 25.00 H new ATOM 926 N ARG A 61 10.750 -14.730 -26.779 1.00 25.00 N ATOM 927 CA ARG A 61 9.528 -15.263 -27.393 1.00 25.00 C ATOM 928 C ARG A 61 8.629 -14.137 -27.838 1.00 25.00 C ATOM 929 O ARG A 61 7.461 -14.359 -28.171 1.00 25.00 O ATOM 930 CB ARG A 61 8.791 -16.149 -26.401 1.00 25.00 C ATOM 931 CG ARG A 61 9.628 -17.364 -26.022 1.00 25.00 C ATOM 932 CD ARG A 61 8.750 -18.493 -25.464 1.00 25.00 C ATOM 933 NE ARG A 61 9.547 -19.702 -25.086 1.00 25.00 N ATOM 934 CZ ARG A 61 9.752 -20.760 -25.863 1.00 25.00 C ATOM 935 NH1 ARG A 61 9.307 -20.816 -27.125 1.00 25.00 N ATOM 936 NH2 ARG A 61 10.380 -21.758 -25.394 1.00 25.00 N ATOM 0 H ARG A 61 10.586 -14.217 -25.913 1.00 25.00 H new ATOM 0 HA ARG A 61 9.807 -15.855 -28.264 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.551 -15.576 -25.506 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.845 -16.476 -26.834 1.00 25.00 H new ATOM 0 HG2 ARG A 61 10.171 -17.721 -26.897 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.373 -17.078 -25.279 1.00 25.00 H new ATOM 0 HD2 ARG A 61 8.209 -18.130 -24.590 1.00 25.00 H new ATOM 0 HD3 ARG A 61 8.004 -18.771 -26.208 1.00 25.00 H new ATOM 0 HE ARG A 61 9.967 -19.715 -24.156 1.00 25.00 H new ATOM 0 HH11 ARG A 61 8.792 -20.029 -27.519 1.00 25.00 H new ATOM 0 HH12 ARG A 61 9.484 -21.645 -27.692 1.00 25.00 H new ATOM 0 HH21 ARG A 61 10.720 -21.741 -24.432 1.00 25.00 H new ATOM 0 HH22 ARG A 61 10.545 -22.577 -25.979 1.00 25.00 H new ATOM 950 N LEU A 62 9.193 -12.912 -27.833 1.00 25.00 N ATOM 951 CA LEU A 62 8.436 -11.720 -28.226 1.00 25.00 C ATOM 952 C LEU A 62 9.068 -11.039 -29.469 1.00 25.00 C ATOM 953 O LEU A 62 10.283 -11.120 -29.670 1.00 25.00 O ATOM 954 CB LEU A 62 8.395 -10.679 -27.091 1.00 25.00 C ATOM 955 CG LEU A 62 7.725 -11.084 -25.753 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.899 -9.972 -24.731 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.233 -11.344 -25.959 1.00 25.00 C ATOM 0 H LEU A 62 10.160 -12.729 -27.563 1.00 25.00 H new ATOM 0 HA LEU A 62 7.426 -12.059 -28.456 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.421 -10.382 -26.874 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.880 -9.795 -27.468 1.00 25.00 H new ATOM 0 HG LEU A 62 8.201 -11.996 -25.392 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.426 -10.263 -23.793 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.961 -9.796 -24.562 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.435 -9.059 -25.104 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.779 -11.627 -25.010 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.755 -10.440 -26.335 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.100 -12.151 -26.680 1.00 25.00 H new ATOM 969 N LYS A 63 8.265 -10.322 -30.240 1.00 25.00 N ATOM 970 CA LYS A 63 8.805 -9.469 -31.299 1.00 25.00 C ATOM 971 C LYS A 63 8.381 -8.030 -31.057 1.00 25.00 C ATOM 972 O LYS A 63 7.170 -7.767 -30.961 1.00 25.00 O ATOM 973 CB LYS A 63 8.295 -9.913 -32.678 1.00 25.00 C ATOM 974 CG LYS A 63 8.920 -9.121 -33.820 1.00 25.00 C ATOM 975 CD LYS A 63 8.217 -9.306 -35.144 1.00 25.00 C ATOM 976 CE LYS A 63 8.921 -8.483 -36.165 1.00 25.00 C ATOM 977 NZ LYS A 63 8.051 -8.139 -37.393 1.00 25.00 N ATOM 0 H LYS A 63 7.248 -10.310 -30.158 1.00 25.00 H new ATOM 0 HA LYS A 63 9.892 -9.552 -31.283 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.510 -10.973 -32.816 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.211 -9.800 -32.714 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.915 -8.062 -33.561 1.00 25.00 H new ATOM 0 HG3 LYS A 63 9.963 -9.418 -33.928 1.00 25.00 H new ATOM 0 HD2 LYS A 63 8.223 -10.357 -35.433 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.173 -9.003 -35.065 1.00 25.00 H new ATOM 0 HE2 LYS A 63 9.261 -7.557 -35.701 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.810 -9.017 -36.499 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 8.605 -7.566 -38.061 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 7.747 -9.017 -37.860 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 7.215 -7.602 -37.086 1.00 25.00 H new ATOM 991 N ILE A 64 9.336 -7.111 -31.037 1.00 25.00 N ATOM 992 CA ILE A 64 9.050 -5.688 -30.833 1.00 25.00 C ATOM 993 C ILE A 64 8.119 -5.163 -31.924 1.00 25.00 C ATOM 994 O ILE A 64 8.287 -5.448 -33.119 1.00 25.00 O ATOM 995 CB ILE A 64 10.376 -4.868 -30.796 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.238 -5.346 -29.602 1.00 25.00 C ATOM 997 CG2 ILE A 64 10.093 -3.357 -30.677 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.623 -5.163 -28.211 1.00 25.00 C ATOM 0 H ILE A 64 10.326 -7.323 -31.160 1.00 25.00 H new ATOM 0 HA ILE A 64 8.546 -5.571 -29.874 1.00 25.00 H new ATOM 0 HB ILE A 64 10.916 -5.032 -31.729 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.462 -6.404 -29.742 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.188 -4.813 -29.630 1.00 25.00 H new ATOM 0 HG21 ILE A 64 11.036 -2.811 -30.653 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.505 -3.028 -31.534 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.538 -3.162 -29.759 1.00 25.00 H new ATOM 0 HD11 ILE A 64 11.316 -5.533 -27.455 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.426 -4.105 -28.036 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.688 -5.721 -28.150 1.00 25.00 H new