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 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.228) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.729 K(o=0.73,f=-2.8!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0122 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 -176:sc= -0.879 (180deg=-0.928) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 40 GLN : amide:sc= 0.221 X(o=0.22,f=0) USER MOD Single : A 48 CYS SG : rot 58:sc= -1.02 USER MOD Single : A 49 SER OG : rot 180:sc= -0.139 USER MOD Single : A 51 HIS : no HD1:sc= -0.135 K(o=-0.13,f=-0.7) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.568 2.024 -20.449 1.00 25.00 N ATOM 81 CA LEU A 6 9.890 1.754 -21.857 1.00 25.00 C ATOM 82 C LEU A 6 8.623 1.849 -22.691 1.00 25.00 C ATOM 83 O LEU A 6 8.629 2.425 -23.775 1.00 25.00 O ATOM 84 CB LEU A 6 10.492 0.355 -22.023 1.00 25.00 C ATOM 85 CG LEU A 6 11.796 0.057 -21.272 1.00 25.00 C ATOM 86 CD1 LEU A 6 12.148 -1.408 -21.506 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.948 0.956 -21.735 1.00 25.00 C ATOM 0 HA LEU A 6 10.620 2.492 -22.190 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.746 -0.373 -21.705 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.669 0.188 -23.085 1.00 25.00 H new ATOM 0 HG LEU A 6 11.647 0.259 -20.211 1.00 25.00 H new ATOM 0 HD11 LEU A 6 13.073 -1.648 -20.982 1.00 25.00 H new ATOM 0 HD12 LEU A 6 11.344 -2.040 -21.130 1.00 25.00 H new ATOM 0 HD13 LEU A 6 12.279 -1.585 -22.574 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.850 0.709 -21.175 1.00 25.00 H new ATOM 0 HD22 LEU A 6 13.127 0.800 -22.799 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.688 2.000 -21.560 1.00 25.00 H new ATOM 99 N ASN A 7 7.547 1.283 -22.155 1.00 25.00 N ATOM 100 CA ASN A 7 6.207 1.321 -22.760 1.00 25.00 C ATOM 101 C ASN A 7 6.188 0.979 -24.261 1.00 25.00 C ATOM 102 O ASN A 7 5.555 1.671 -25.060 1.00 25.00 O ATOM 103 CB ASN A 7 5.561 2.689 -22.515 1.00 25.00 C ATOM 104 CG ASN A 7 4.054 2.630 -22.557 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.429 2.112 -21.652 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.469 3.165 -23.589 1.00 25.00 N ATOM 0 H ASN A 7 7.575 0.774 -21.272 1.00 25.00 H new ATOM 0 HA ASN A 7 5.628 0.538 -22.270 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.880 3.070 -21.545 1.00 25.00 H new ATOM 0 HB3 ASN A 7 5.915 3.395 -23.266 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.451 3.159 -23.658 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.028 3.590 -24.329 1.00 25.00 H new ATOM 113 N VAL A 8 6.870 -0.089 -24.639 1.00 25.00 N ATOM 114 CA VAL A 8 6.905 -0.517 -26.041 1.00 25.00 C ATOM 115 C VAL A 8 6.175 -1.840 -26.136 1.00 25.00 C ATOM 116 O VAL A 8 6.445 -2.763 -25.385 1.00 25.00 O ATOM 117 CB VAL A 8 8.351 -0.658 -26.583 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.833 0.679 -27.163 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.324 -1.133 -25.485 1.00 25.00 C ATOM 0 H VAL A 8 7.407 -0.678 -24.003 1.00 25.00 H new ATOM 0 HA VAL A 8 6.423 0.243 -26.656 1.00 25.00 H new ATOM 0 HB VAL A 8 8.337 -1.411 -27.371 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.849 0.567 -27.540 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.175 0.981 -27.978 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.817 1.441 -26.383 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.328 -1.220 -25.901 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.331 -0.411 -24.668 1.00 25.00 H new ATOM 0 HG23 VAL A 8 9.002 -2.104 -25.108 1.00 25.00 H new ATOM 129 N LEU A 9 5.194 -1.917 -27.014 1.00 25.00 N ATOM 130 CA LEU A 9 4.376 -3.115 -27.093 1.00 25.00 C ATOM 131 C LEU A 9 5.095 -4.144 -27.919 1.00 25.00 C ATOM 132 O LEU A 9 5.934 -3.826 -28.772 1.00 25.00 O ATOM 133 CB LEU A 9 2.979 -2.867 -27.692 1.00 25.00 C ATOM 134 CG LEU A 9 2.639 -1.479 -28.233 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.389 -1.565 -29.115 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.380 -0.474 -27.096 1.00 25.00 C ATOM 0 H LEU A 9 4.945 -1.179 -27.673 1.00 25.00 H new ATOM 0 HA LEU A 9 4.221 -3.463 -26.072 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.838 -3.580 -28.504 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.244 -3.110 -26.924 1.00 25.00 H new ATOM 0 HG LEU A 9 3.493 -1.129 -28.813 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.147 -0.575 -29.501 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.577 -2.243 -29.948 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.552 -1.939 -28.525 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.141 0.501 -27.520 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.544 -0.820 -26.488 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.271 -0.391 -26.474 1.00 25.00 H new ATOM 148 N ALA A 10 4.763 -5.389 -27.650 1.00 25.00 N ATOM 149 CA ALA A 10 5.362 -6.501 -28.328 1.00 25.00 C ATOM 150 C ALA A 10 4.267 -7.488 -28.679 1.00 25.00 C ATOM 151 O ALA A 10 3.191 -7.472 -28.084 1.00 25.00 O ATOM 152 CB ALA A 10 6.408 -7.159 -27.416 1.00 25.00 C ATOM 0 H ALA A 10 4.067 -5.651 -26.952 1.00 25.00 H new ATOM 0 HA ALA A 10 5.862 -6.170 -29.238 1.00 25.00 H new ATOM 0 HB1 ALA A 10 6.862 -8.004 -27.934 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.179 -6.432 -27.163 1.00 25.00 H new ATOM 0 HB3 ALA A 10 5.926 -7.509 -26.503 1.00 25.00 H new ATOM 158 N LYS A 11 4.565 -8.370 -29.617 1.00 25.00 N ATOM 159 CA LYS A 11 3.647 -9.440 -29.999 1.00 25.00 C ATOM 160 C LYS A 11 4.266 -10.761 -29.588 1.00 25.00 C ATOM 161 O LYS A 11 5.451 -11.000 -29.855 1.00 25.00 O ATOM 162 CB LYS A 11 3.388 -9.410 -31.507 1.00 25.00 C ATOM 163 CG LYS A 11 2.318 -10.406 -31.965 1.00 25.00 C ATOM 164 CD LYS A 11 2.905 -11.676 -32.571 1.00 25.00 C ATOM 165 CE LYS A 11 3.267 -11.505 -34.031 1.00 25.00 C ATOM 166 NZ LYS A 11 3.675 -12.825 -34.623 1.00 25.00 N ATOM 0 H LYS A 11 5.444 -8.369 -30.135 1.00 25.00 H new ATOM 0 HA LYS A 11 2.688 -9.308 -29.499 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.083 -8.404 -31.795 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.319 -9.623 -32.032 1.00 25.00 H new ATOM 0 HG2 LYS A 11 1.690 -10.673 -31.115 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.672 -9.925 -32.699 1.00 25.00 H new ATOM 0 HD2 LYS A 11 3.794 -11.965 -32.011 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.186 -12.489 -32.471 1.00 25.00 H new ATOM 0 HE2 LYS A 11 2.416 -11.100 -34.579 1.00 25.00 H new ATOM 0 HE3 LYS A 11 4.081 -10.787 -34.130 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 4.273 -12.661 -35.458 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 4.208 -13.372 -33.917 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.826 -13.357 -34.904 1.00 25.00 H new ATOM 180 N ALA A 12 3.477 -11.622 -28.965 1.00 25.00 N ATOM 181 CA ALA A 12 3.956 -12.936 -28.553 1.00 25.00 C ATOM 182 C ALA A 12 4.099 -13.841 -29.775 1.00 25.00 C ATOM 183 O ALA A 12 3.151 -14.043 -30.542 1.00 25.00 O ATOM 184 CB ALA A 12 3.011 -13.549 -27.540 1.00 25.00 C ATOM 0 H ALA A 12 2.501 -11.436 -28.733 1.00 25.00 H new ATOM 0 HA ALA A 12 4.933 -12.827 -28.082 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.383 -14.530 -27.243 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.948 -12.904 -26.664 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.021 -13.655 -27.984 1.00 25.00 H new ATOM 190 N LEU A 13 5.294 -14.363 -29.965 1.00 25.00 N ATOM 191 CA LEU A 13 5.610 -15.216 -31.105 1.00 25.00 C ATOM 192 C LEU A 13 5.166 -16.647 -30.824 1.00 25.00 C ATOM 193 O LEU A 13 4.798 -17.385 -31.734 1.00 25.00 O ATOM 194 CB LEU A 13 7.121 -15.186 -31.356 1.00 25.00 C ATOM 195 CG LEU A 13 7.742 -13.812 -31.672 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.256 -13.942 -31.707 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.216 -13.275 -33.010 1.00 25.00 C ATOM 0 H LEU A 13 6.080 -14.210 -29.333 1.00 25.00 H new ATOM 0 HA LEU A 13 5.084 -14.849 -31.986 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.620 -15.591 -30.476 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.342 -15.858 -32.185 1.00 25.00 H new ATOM 0 HG LEU A 13 7.459 -13.104 -30.893 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.699 -12.972 -31.930 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.614 -14.290 -30.738 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.542 -14.658 -32.478 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.667 -12.304 -33.215 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.475 -13.971 -33.808 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.132 -13.169 -32.959 1.00 25.00 H new ATOM 209 N TYR A 14 5.185 -17.014 -29.550 1.00 25.00 N ATOM 210 CA TYR A 14 4.825 -18.357 -29.109 1.00 25.00 C ATOM 211 C TYR A 14 3.865 -18.209 -27.941 1.00 25.00 C ATOM 212 O TYR A 14 3.773 -17.128 -27.366 1.00 25.00 O ATOM 213 CB TYR A 14 6.075 -19.117 -28.661 1.00 25.00 C ATOM 214 CG TYR A 14 7.221 -19.023 -29.644 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.228 -18.054 -29.474 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.308 -19.888 -30.751 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.305 -17.943 -30.392 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.389 -19.784 -31.677 1.00 25.00 C ATOM 219 CZ TYR A 14 9.378 -18.809 -31.483 1.00 25.00 C ATOM 220 OH TYR A 14 10.416 -18.696 -32.369 1.00 25.00 O ATOM 0 H TYR A 14 5.451 -16.388 -28.790 1.00 25.00 H new ATOM 0 HA TYR A 14 4.362 -18.916 -29.923 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.401 -18.728 -27.696 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.819 -20.166 -28.512 1.00 25.00 H new ATOM 0 HD1 TYR A 14 8.180 -17.383 -28.629 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.547 -20.640 -30.902 1.00 25.00 H new ATOM 0 HE1 TYR A 14 10.066 -17.190 -30.246 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.445 -20.453 -32.523 1.00 25.00 H new ATOM 0 HH TYR A 14 10.322 -19.373 -33.071 1.00 25.00 H new ATOM 230 N ASP A 15 3.162 -19.271 -27.590 1.00 25.00 N ATOM 231 CA ASP A 15 2.242 -19.245 -26.457 1.00 25.00 C ATOM 232 C ASP A 15 2.894 -19.861 -25.227 1.00 25.00 C ATOM 233 O ASP A 15 3.961 -20.465 -25.324 1.00 25.00 O ATOM 234 CB ASP A 15 0.924 -19.962 -26.792 1.00 25.00 C ATOM 235 CG ASP A 15 1.107 -21.400 -27.210 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.656 -21.641 -28.312 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.493 -22.266 -26.558 1.00 25.00 O ATOM 0 H ASP A 15 3.208 -20.168 -28.073 1.00 25.00 H new ATOM 0 HA ASP A 15 2.006 -18.203 -26.239 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.269 -19.926 -25.921 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.419 -19.421 -27.593 1.00 25.00 H new ATOM 242 N ASN A 16 2.279 -19.655 -24.069 1.00 25.00 N ATOM 243 CA ASN A 16 2.805 -20.151 -22.808 1.00 25.00 C ATOM 244 C ASN A 16 1.657 -20.481 -21.868 1.00 25.00 C ATOM 245 O ASN A 16 0.551 -19.955 -22.019 1.00 25.00 O ATOM 246 CB ASN A 16 3.659 -19.060 -22.162 1.00 25.00 C ATOM 247 CG ASN A 16 4.472 -19.576 -21.014 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.106 -20.617 -21.120 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.459 -18.871 -19.930 1.00 25.00 N ATOM 0 H ASN A 16 1.403 -19.140 -23.980 1.00 25.00 H new ATOM 0 HA ASN A 16 3.401 -21.045 -22.993 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.325 -18.632 -22.912 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.012 -18.255 -21.813 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.993 -19.177 -19.116 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.915 -18.009 -19.889 1.00 25.00 H new ATOM 256 N VAL A 17 1.942 -21.295 -20.867 1.00 25.00 N ATOM 257 CA VAL A 17 1.010 -21.570 -19.783 1.00 25.00 C ATOM 258 C VAL A 17 1.830 -21.259 -18.546 1.00 25.00 C ATOM 259 O VAL A 17 2.896 -21.832 -18.365 1.00 25.00 O ATOM 260 CB VAL A 17 0.538 -23.049 -19.770 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.404 -23.309 -18.581 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.188 -23.393 -21.088 1.00 25.00 C ATOM 0 H VAL A 17 2.831 -21.788 -20.781 1.00 25.00 H new ATOM 0 HA VAL A 17 0.093 -20.986 -19.866 1.00 25.00 H new ATOM 0 HB VAL A 17 1.419 -23.683 -19.669 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.723 -24.351 -18.591 1.00 25.00 H new ATOM 0 HG12 VAL A 17 0.120 -23.099 -17.649 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.277 -22.662 -18.660 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.513 -24.433 -21.064 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.056 -22.744 -21.205 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.492 -23.245 -21.927 1.00 25.00 H new ATOM 272 N ALA A 18 1.391 -20.285 -17.760 1.00 25.00 N ATOM 273 CA ALA A 18 2.145 -19.860 -16.592 1.00 25.00 C ATOM 274 C ALA A 18 1.999 -20.892 -15.475 1.00 25.00 C ATOM 275 O ALA A 18 0.921 -21.463 -15.285 1.00 25.00 O ATOM 276 CB ALA A 18 1.642 -18.495 -16.117 1.00 25.00 C ATOM 0 H ALA A 18 0.519 -19.777 -17.911 1.00 25.00 H new ATOM 0 HA ALA A 18 3.199 -19.775 -16.858 1.00 25.00 H new ATOM 0 HB1 ALA A 18 2.211 -18.182 -15.242 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.770 -17.763 -16.914 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.586 -18.567 -15.857 1.00 25.00 H new ATOM 282 N GLU A 19 3.068 -21.085 -14.719 1.00 25.00 N ATOM 283 CA GLU A 19 3.037 -21.951 -13.538 1.00 25.00 C ATOM 284 C GLU A 19 3.397 -21.144 -12.287 1.00 25.00 C ATOM 285 O GLU A 19 2.813 -21.352 -11.222 1.00 25.00 O ATOM 286 CB GLU A 19 3.952 -23.176 -13.718 1.00 25.00 C ATOM 287 CG GLU A 19 5.437 -22.872 -13.959 1.00 25.00 C ATOM 288 CD GLU A 19 6.318 -23.374 -12.821 1.00 25.00 C ATOM 289 OE1 GLU A 19 6.272 -22.781 -11.724 1.00 25.00 O ATOM 290 OE2 GLU A 19 7.057 -24.363 -13.023 1.00 25.00 O ATOM 0 H GLU A 19 3.975 -20.654 -14.899 1.00 25.00 H new ATOM 0 HA GLU A 19 2.025 -22.335 -13.411 1.00 25.00 H new ATOM 0 HB2 GLU A 19 3.868 -23.802 -12.829 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.580 -23.763 -14.558 1.00 25.00 H new ATOM 0 HG2 GLU A 19 5.754 -23.335 -14.893 1.00 25.00 H new ATOM 0 HG3 GLU A 19 5.572 -21.797 -14.074 1.00 25.00 H new ATOM 297 N SER A 20 4.281 -20.166 -12.433 1.00 25.00 N ATOM 298 CA SER A 20 4.620 -19.279 -11.326 1.00 25.00 C ATOM 299 C SER A 20 3.537 -18.216 -11.228 1.00 25.00 C ATOM 300 O SER A 20 3.008 -17.771 -12.243 1.00 25.00 O ATOM 301 CB SER A 20 5.963 -18.599 -11.586 1.00 25.00 C ATOM 302 OG SER A 20 6.272 -17.637 -10.588 1.00 25.00 O ATOM 0 H SER A 20 4.775 -19.966 -13.303 1.00 25.00 H new ATOM 0 HA SER A 20 4.690 -19.852 -10.401 1.00 25.00 H new ATOM 0 HB2 SER A 20 6.750 -19.352 -11.620 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.942 -18.115 -12.562 1.00 25.00 H new ATOM 0 HG SER A 20 7.139 -17.225 -10.788 1.00 25.00 H new ATOM 308 N PRO A 21 3.225 -17.747 -10.009 1.00 25.00 N ATOM 309 CA PRO A 21 2.227 -16.674 -9.931 1.00 25.00 C ATOM 310 C PRO A 21 2.729 -15.317 -10.432 1.00 25.00 C ATOM 311 O PRO A 21 1.940 -14.400 -10.655 1.00 25.00 O ATOM 312 CB PRO A 21 1.923 -16.616 -8.440 1.00 25.00 C ATOM 313 CG PRO A 21 3.193 -17.016 -7.795 1.00 25.00 C ATOM 314 CD PRO A 21 3.712 -18.125 -8.666 1.00 25.00 C ATOM 0 HA PRO A 21 1.367 -16.880 -10.568 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.619 -15.615 -8.134 1.00 25.00 H new ATOM 0 HB3 PRO A 21 1.110 -17.292 -8.173 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.896 -16.184 -7.748 1.00 25.00 H new ATOM 0 HG3 PRO A 21 3.031 -17.355 -6.772 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.800 -18.188 -8.634 1.00 25.00 H new ATOM 0 HD3 PRO A 21 3.327 -19.096 -8.355 1.00 25.00 H new ATOM 322 N ASP A 22 4.042 -15.199 -10.600 1.00 25.00 N ATOM 323 CA ASP A 22 4.665 -13.968 -11.102 1.00 25.00 C ATOM 324 C ASP A 22 4.683 -13.984 -12.635 1.00 25.00 C ATOM 325 O ASP A 22 4.915 -12.973 -13.291 1.00 25.00 O ATOM 326 CB ASP A 22 6.109 -13.899 -10.588 1.00 25.00 C ATOM 327 CG ASP A 22 6.746 -12.528 -10.791 1.00 25.00 C ATOM 328 OD1 ASP A 22 6.025 -11.509 -10.764 1.00 25.00 O ATOM 329 OD2 ASP A 22 7.994 -12.470 -10.905 1.00 25.00 O ATOM 0 H ASP A 22 4.705 -15.946 -10.395 1.00 25.00 H new ATOM 0 HA ASP A 22 4.097 -13.105 -10.755 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.124 -14.148 -9.527 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.708 -14.652 -11.100 1.00 25.00 H new ATOM 334 N GLU A 23 4.465 -15.159 -13.200 1.00 25.00 N ATOM 335 CA GLU A 23 4.537 -15.353 -14.643 1.00 25.00 C ATOM 336 C GLU A 23 3.210 -15.003 -15.316 1.00 25.00 C ATOM 337 O GLU A 23 2.131 -15.345 -14.828 1.00 25.00 O ATOM 338 CB GLU A 23 4.907 -16.807 -14.909 1.00 25.00 C ATOM 339 CG GLU A 23 5.266 -17.125 -16.340 1.00 25.00 C ATOM 340 CD GLU A 23 5.597 -18.602 -16.524 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.307 -19.414 -15.607 1.00 25.00 O ATOM 342 OE2 GLU A 23 6.116 -18.959 -17.606 1.00 25.00 O ATOM 0 H GLU A 23 4.234 -16.004 -12.677 1.00 25.00 H new ATOM 0 HA GLU A 23 5.293 -14.690 -15.063 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.750 -17.074 -14.271 1.00 25.00 H new ATOM 0 HB3 GLU A 23 4.070 -17.439 -14.612 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.436 -16.854 -16.992 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.120 -16.520 -16.644 1.00 25.00 H new ATOM 349 N LEU A 24 3.284 -14.310 -16.442 1.00 25.00 N ATOM 350 CA LEU A 24 2.080 -13.922 -17.161 1.00 25.00 C ATOM 351 C LEU A 24 1.601 -15.047 -18.081 1.00 25.00 C ATOM 352 O LEU A 24 2.373 -15.613 -18.856 1.00 25.00 O ATOM 353 CB LEU A 24 2.354 -12.671 -18.004 1.00 25.00 C ATOM 354 CG LEU A 24 1.433 -11.465 -17.749 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.883 -10.306 -18.629 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.037 -11.781 -18.031 1.00 25.00 C ATOM 0 H LEU A 24 4.157 -14.007 -16.875 1.00 25.00 H new ATOM 0 HA LEU A 24 1.303 -13.714 -16.425 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.384 -12.359 -17.829 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.278 -12.944 -19.057 1.00 25.00 H new ATOM 0 HG LEU A 24 1.509 -11.204 -16.693 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.237 -9.446 -18.456 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.912 -10.042 -18.385 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.823 -10.600 -19.677 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.643 -10.897 -17.835 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.152 -12.076 -19.074 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.364 -12.596 -17.385 1.00 25.00 H new ATOM 368 N SER A 25 0.306 -15.310 -18.054 1.00 25.00 N ATOM 369 CA SER A 25 -0.307 -16.236 -19.007 1.00 25.00 C ATOM 370 C SER A 25 -0.616 -15.459 -20.283 1.00 25.00 C ATOM 371 O SER A 25 -1.445 -14.554 -20.266 1.00 25.00 O ATOM 372 CB SER A 25 -1.605 -16.814 -18.440 1.00 25.00 C ATOM 373 OG SER A 25 -1.350 -17.556 -17.261 1.00 25.00 O ATOM 0 H SER A 25 -0.346 -14.899 -17.386 1.00 25.00 H new ATOM 0 HA SER A 25 0.376 -17.062 -19.207 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.304 -16.006 -18.223 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.079 -17.455 -19.184 1.00 25.00 H new ATOM 0 HG SER A 25 -2.192 -17.916 -16.913 1.00 25.00 H new ATOM 379 N PHE A 26 0.058 -15.800 -21.372 1.00 25.00 N ATOM 380 CA PHE A 26 -0.143 -15.129 -22.660 1.00 25.00 C ATOM 381 C PHE A 26 -0.104 -16.181 -23.748 1.00 25.00 C ATOM 382 O PHE A 26 0.426 -17.277 -23.535 1.00 25.00 O ATOM 383 CB PHE A 26 0.969 -14.105 -22.911 1.00 25.00 C ATOM 384 CG PHE A 26 2.344 -14.715 -22.991 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.876 -15.143 -24.226 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.113 -14.876 -21.831 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.166 -15.739 -24.290 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.391 -15.480 -21.879 1.00 25.00 C ATOM 389 CZ PHE A 26 4.922 -15.910 -23.111 1.00 25.00 C ATOM 0 H PHE A 26 0.756 -16.543 -21.394 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.100 -14.607 -22.656 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.761 -13.576 -23.841 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.956 -13.363 -22.112 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.299 -15.017 -25.130 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.723 -14.533 -20.884 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.566 -16.060 -25.240 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.960 -15.612 -20.971 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.900 -16.367 -23.153 1.00 25.00 H new ATOM 399 N ARG A 27 -0.635 -15.870 -24.924 1.00 25.00 N ATOM 400 CA ARG A 27 -0.589 -16.819 -26.047 1.00 25.00 C ATOM 401 C ARG A 27 -0.091 -16.162 -27.324 1.00 25.00 C ATOM 402 O ARG A 27 -0.026 -14.951 -27.420 1.00 25.00 O ATOM 403 CB ARG A 27 -1.951 -17.498 -26.263 1.00 25.00 C ATOM 404 CG ARG A 27 -2.444 -18.259 -25.017 1.00 25.00 C ATOM 405 CD ARG A 27 -3.313 -19.470 -25.362 1.00 25.00 C ATOM 406 NE ARG A 27 -2.501 -20.691 -25.562 1.00 25.00 N ATOM 407 CZ ARG A 27 -2.972 -21.935 -25.589 1.00 25.00 C ATOM 408 NH1 ARG A 27 -4.249 -22.202 -25.443 1.00 25.00 N ATOM 409 NH2 ARG A 27 -2.149 -22.924 -25.760 1.00 25.00 N ATOM 0 H ARG A 27 -1.097 -14.985 -25.131 1.00 25.00 H new ATOM 0 HA ARG A 27 0.130 -17.594 -25.782 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.688 -16.744 -26.537 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -1.877 -18.191 -27.101 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -1.583 -18.590 -24.436 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.013 -17.578 -24.384 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.034 -19.640 -24.562 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -3.884 -19.261 -26.267 1.00 25.00 H new ATOM 0 HE ARG A 27 -1.496 -20.569 -25.690 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -4.916 -21.443 -25.303 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -4.574 -23.168 -25.469 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -1.151 -22.744 -25.872 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -2.500 -23.881 -25.782 1.00 25.00 H new ATOM 423 N LYS A 28 0.294 -16.979 -28.290 1.00 25.00 N ATOM 424 CA LYS A 28 0.846 -16.499 -29.553 1.00 25.00 C ATOM 425 C LYS A 28 -0.157 -15.622 -30.278 1.00 25.00 C ATOM 426 O LYS A 28 -1.343 -15.914 -30.314 1.00 25.00 O ATOM 427 CB LYS A 28 1.273 -17.683 -30.433 1.00 25.00 C ATOM 428 CG LYS A 28 0.158 -18.689 -30.758 1.00 25.00 C ATOM 429 CD LYS A 28 0.739 -19.968 -31.333 1.00 25.00 C ATOM 430 CE LYS A 28 -0.359 -20.992 -31.608 1.00 25.00 C ATOM 431 NZ LYS A 28 0.226 -22.309 -32.028 1.00 25.00 N ATOM 0 H LYS A 28 0.234 -17.995 -28.224 1.00 25.00 H new ATOM 0 HA LYS A 28 1.728 -15.895 -29.338 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.674 -17.294 -31.369 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.085 -18.212 -29.934 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.409 -18.915 -29.855 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.540 -18.248 -31.470 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.274 -19.746 -32.257 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.466 -20.387 -30.637 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -0.966 -21.129 -30.713 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -1.022 -20.619 -32.389 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -0.541 -22.988 -32.209 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 0.786 -22.180 -32.895 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.839 -22.674 -31.271 1.00 25.00 H new ATOM 445 N GLY A 29 0.344 -14.531 -30.830 1.00 25.00 N ATOM 446 CA GLY A 29 -0.491 -13.580 -31.548 1.00 25.00 C ATOM 447 C GLY A 29 -0.949 -12.431 -30.676 1.00 25.00 C ATOM 448 O GLY A 29 -1.260 -11.364 -31.185 1.00 25.00 O ATOM 0 H GLY A 29 1.332 -14.279 -30.795 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.064 -13.186 -32.399 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.363 -14.098 -31.948 1.00 25.00 H new ATOM 452 N ASP A 30 -0.982 -12.651 -29.369 1.00 25.00 N ATOM 453 CA ASP A 30 -1.449 -11.646 -28.412 1.00 25.00 C ATOM 454 C ASP A 30 -0.454 -10.479 -28.293 1.00 25.00 C ATOM 455 O ASP A 30 0.734 -10.623 -28.635 1.00 25.00 O ATOM 456 CB ASP A 30 -1.655 -12.319 -27.050 1.00 25.00 C ATOM 457 CG ASP A 30 -2.678 -11.614 -26.190 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.182 -10.539 -26.582 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.000 -12.169 -25.114 1.00 25.00 O ATOM 0 H ASP A 30 -0.687 -13.528 -28.939 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.392 -11.230 -28.766 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.969 -13.351 -27.205 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.703 -12.351 -26.520 1.00 25.00 H new ATOM 464 N ILE A 31 -0.944 -9.330 -27.841 1.00 25.00 N ATOM 465 CA ILE A 31 -0.156 -8.092 -27.762 1.00 25.00 C ATOM 466 C ILE A 31 -0.049 -7.632 -26.309 1.00 25.00 C ATOM 467 O ILE A 31 -1.056 -7.468 -25.633 1.00 25.00 O ATOM 468 CB ILE A 31 -0.836 -6.934 -28.583 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.178 -7.386 -30.025 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.070 -5.665 -28.603 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.011 -7.786 -30.896 1.00 25.00 C ATOM 0 H ILE A 31 -1.905 -9.224 -27.515 1.00 25.00 H new ATOM 0 HA ILE A 31 0.830 -8.305 -28.174 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.772 -6.682 -28.085 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.863 -8.232 -29.968 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.712 -6.576 -30.522 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.420 -4.877 -29.176 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.237 -5.321 -27.582 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.027 -5.908 -29.065 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.344 -8.084 -31.882 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.690 -6.939 -30.996 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.537 -8.621 -30.432 1.00 25.00 H new ATOM 483 N MET A 32 1.166 -7.391 -25.844 1.00 25.00 N ATOM 484 CA MET A 32 1.404 -6.960 -24.469 1.00 25.00 C ATOM 485 C MET A 32 2.426 -5.838 -24.438 1.00 25.00 C ATOM 486 O MET A 32 3.325 -5.788 -25.275 1.00 25.00 O ATOM 487 CB MET A 32 1.887 -8.137 -23.602 1.00 25.00 C ATOM 488 CG MET A 32 3.134 -8.898 -24.110 1.00 25.00 C ATOM 489 SD MET A 32 2.877 -9.915 -25.609 1.00 25.00 S ATOM 490 CE MET A 32 1.591 -11.052 -25.071 1.00 25.00 C ATOM 0 H MET A 32 2.014 -7.487 -26.403 1.00 25.00 H new ATOM 0 HA MET A 32 0.462 -6.594 -24.060 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.101 -7.760 -22.602 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.068 -8.849 -23.506 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.922 -8.174 -24.314 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.495 -9.545 -23.310 1.00 25.00 H new ATOM 0 HE1 MET A 32 1.389 -11.773 -25.863 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.922 -11.579 -24.176 1.00 25.00 H new ATOM 0 HE3 MET A 32 0.682 -10.494 -24.848 1.00 25.00 H new ATOM 500 N THR A 33 2.277 -4.924 -23.493 1.00 25.00 N ATOM 501 CA THR A 33 3.190 -3.781 -23.396 1.00 25.00 C ATOM 502 C THR A 33 4.366 -4.127 -22.496 1.00 25.00 C ATOM 503 O THR A 33 4.174 -4.480 -21.342 1.00 25.00 O ATOM 504 CB THR A 33 2.471 -2.539 -22.842 1.00 25.00 C ATOM 505 OG1 THR A 33 1.308 -2.277 -23.636 1.00 25.00 O ATOM 506 CG2 THR A 33 3.368 -1.303 -22.904 1.00 25.00 C ATOM 0 H THR A 33 1.542 -4.944 -22.786 1.00 25.00 H new ATOM 0 HA THR A 33 3.549 -3.555 -24.400 1.00 25.00 H new ATOM 0 HB THR A 33 2.207 -2.739 -21.803 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.844 -1.487 -23.287 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.830 -0.443 -22.505 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.267 -1.476 -22.312 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.648 -1.108 -23.939 1.00 25.00 H new ATOM 514 N VAL A 34 5.582 -4.014 -23.015 1.00 25.00 N ATOM 515 CA VAL A 34 6.784 -4.266 -22.217 1.00 25.00 C ATOM 516 C VAL A 34 7.089 -2.991 -21.443 1.00 25.00 C ATOM 517 O VAL A 34 7.263 -1.908 -22.027 1.00 25.00 O ATOM 518 CB VAL A 34 8.012 -4.663 -23.101 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.294 -4.785 -22.252 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.752 -5.995 -23.822 1.00 25.00 C ATOM 0 H VAL A 34 5.766 -3.750 -23.983 1.00 25.00 H new ATOM 0 HA VAL A 34 6.601 -5.107 -21.548 1.00 25.00 H new ATOM 0 HB VAL A 34 8.152 -3.873 -23.839 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.130 -5.062 -22.894 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.505 -3.829 -21.773 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.153 -5.550 -21.489 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.618 -6.254 -24.432 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.579 -6.780 -23.085 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.874 -5.898 -24.461 1.00 25.00 H new ATOM 530 N LEU A 35 7.122 -3.112 -20.127 1.00 25.00 N ATOM 531 CA LEU A 35 7.359 -1.975 -19.249 1.00 25.00 C ATOM 532 C LEU A 35 8.850 -1.818 -18.989 1.00 25.00 C ATOM 533 O LEU A 35 9.387 -0.712 -19.078 1.00 25.00 O ATOM 534 CB LEU A 35 6.618 -2.189 -17.919 1.00 25.00 C ATOM 535 CG LEU A 35 5.091 -2.306 -18.024 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.511 -2.699 -16.671 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.459 -0.993 -18.502 1.00 25.00 C ATOM 0 H LEU A 35 6.986 -3.996 -19.637 1.00 25.00 H new ATOM 0 HA LEU A 35 6.988 -1.070 -19.729 1.00 25.00 H new ATOM 0 HB2 LEU A 35 7.003 -3.095 -17.451 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.856 -1.360 -17.253 1.00 25.00 H new ATOM 0 HG LEU A 35 4.860 -3.076 -18.760 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.427 -2.781 -16.750 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.926 -3.658 -16.362 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.765 -1.939 -15.932 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.377 -1.112 -18.565 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.696 -0.197 -17.796 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.854 -0.736 -19.485 1.00 25.00 H new ATOM 549 N GLU A 36 9.513 -2.924 -18.688 1.00 25.00 N ATOM 550 CA GLU A 36 10.944 -2.934 -18.385 1.00 25.00 C ATOM 551 C GLU A 36 11.526 -4.307 -18.727 1.00 25.00 C ATOM 552 O GLU A 36 10.787 -5.234 -19.065 1.00 25.00 O ATOM 553 CB GLU A 36 11.200 -2.592 -16.912 1.00 25.00 C ATOM 554 CG GLU A 36 10.652 -3.600 -15.926 1.00 25.00 C ATOM 555 CD GLU A 36 10.978 -3.250 -14.488 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.617 -2.205 -14.247 1.00 25.00 O ATOM 557 OE2 GLU A 36 10.576 -4.024 -13.595 1.00 25.00 O ATOM 0 H GLU A 36 9.076 -3.845 -18.646 1.00 25.00 H new ATOM 0 HA GLU A 36 11.436 -2.172 -18.990 1.00 25.00 H new ATOM 0 HB2 GLU A 36 12.275 -2.498 -16.756 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.761 -1.618 -16.697 1.00 25.00 H new ATOM 0 HG2 GLU A 36 9.570 -3.665 -16.043 1.00 25.00 H new ATOM 0 HG3 GLU A 36 11.058 -4.585 -16.157 1.00 25.00 H new ATOM 564 N ARG A 37 12.848 -4.426 -18.665 1.00 25.00 N ATOM 565 CA ARG A 37 13.556 -5.674 -18.970 1.00 25.00 C ATOM 566 C ARG A 37 14.500 -5.910 -17.808 1.00 25.00 C ATOM 567 O ARG A 37 14.840 -4.954 -17.134 1.00 25.00 O ATOM 568 CB ARG A 37 14.339 -5.541 -20.279 1.00 25.00 C ATOM 569 CG ARG A 37 13.461 -5.280 -21.495 1.00 25.00 C ATOM 570 CD ARG A 37 14.267 -5.360 -22.787 1.00 25.00 C ATOM 571 NE ARG A 37 14.924 -4.084 -23.110 1.00 25.00 N ATOM 572 CZ ARG A 37 14.416 -3.142 -23.896 1.00 25.00 C ATOM 573 NH1 ARG A 37 13.250 -3.269 -24.487 1.00 25.00 N ATOM 574 NH2 ARG A 37 15.097 -2.049 -24.094 1.00 25.00 N ATOM 0 H ARG A 37 13.466 -3.658 -18.401 1.00 25.00 H new ATOM 0 HA ARG A 37 12.863 -6.506 -19.097 1.00 25.00 H new ATOM 0 HB2 ARG A 37 15.058 -4.728 -20.180 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.911 -6.454 -20.444 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.650 -6.008 -21.524 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.002 -4.295 -21.410 1.00 25.00 H new ATOM 0 HD2 ARG A 37 15.021 -6.142 -22.696 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.609 -5.646 -23.607 1.00 25.00 H new ATOM 0 HE ARG A 37 15.841 -3.909 -22.698 1.00 25.00 H new ATOM 0 HH11 ARG A 37 12.698 -4.116 -24.350 1.00 25.00 H new ATOM 0 HH12 ARG A 37 12.896 -2.521 -25.083 1.00 25.00 H new ATOM 0 HH21 ARG A 37 16.006 -1.927 -23.648 1.00 25.00 H new ATOM 0 HH22 ARG A 37 14.721 -1.316 -24.695 1.00 25.00 H new ATOM 588 N ASP A 38 14.877 -7.165 -17.581 1.00 25.00 N ATOM 589 CA ASP A 38 15.737 -7.568 -16.447 1.00 25.00 C ATOM 590 C ASP A 38 15.032 -7.204 -15.135 1.00 25.00 C ATOM 591 O ASP A 38 15.608 -6.688 -14.185 1.00 25.00 O ATOM 592 CB ASP A 38 17.137 -6.946 -16.550 1.00 25.00 C ATOM 593 CG ASP A 38 18.141 -7.632 -15.644 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.772 -8.631 -14.994 1.00 25.00 O ATOM 595 OD2 ASP A 38 19.315 -7.201 -15.615 1.00 25.00 O ATOM 0 H ASP A 38 14.598 -7.944 -18.177 1.00 25.00 H new ATOM 0 HA ASP A 38 15.890 -8.647 -16.473 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.483 -7.005 -17.582 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.082 -5.888 -16.292 1.00 25.00 H new ATOM 600 N THR A 39 13.732 -7.456 -15.139 1.00 25.00 N ATOM 601 CA THR A 39 12.835 -7.066 -14.046 1.00 25.00 C ATOM 602 C THR A 39 13.031 -7.873 -12.752 1.00 25.00 C ATOM 603 O THR A 39 12.615 -7.448 -11.679 1.00 25.00 O ATOM 604 CB THR A 39 11.366 -7.220 -14.539 1.00 25.00 C ATOM 605 OG1 THR A 39 10.449 -6.787 -13.529 1.00 25.00 O ATOM 606 CG2 THR A 39 11.034 -8.673 -14.910 1.00 25.00 C ATOM 0 H THR A 39 13.260 -7.940 -15.903 1.00 25.00 H new ATOM 0 HA THR A 39 13.072 -6.033 -13.790 1.00 25.00 H new ATOM 0 HB THR A 39 11.267 -6.599 -15.429 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.441 -5.808 -13.492 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.000 -8.735 -15.249 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.698 -9.005 -15.708 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.169 -9.311 -14.037 1.00 25.00 H new ATOM 614 N GLN A 40 13.670 -9.032 -12.852 1.00 25.00 N ATOM 615 CA GLN A 40 13.850 -9.914 -11.693 1.00 25.00 C ATOM 616 C GLN A 40 15.329 -10.170 -11.385 1.00 25.00 C ATOM 617 O GLN A 40 15.666 -11.047 -10.596 1.00 25.00 O ATOM 618 CB GLN A 40 13.142 -11.252 -11.954 1.00 25.00 C ATOM 619 CG GLN A 40 12.489 -11.852 -10.706 1.00 25.00 C ATOM 620 CD GLN A 40 12.044 -13.285 -10.913 1.00 25.00 C ATOM 621 OE1 GLN A 40 12.866 -14.179 -11.054 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.764 -13.514 -10.927 1.00 25.00 N ATOM 0 H GLN A 40 14.073 -9.387 -13.719 1.00 25.00 H new ATOM 0 HA GLN A 40 13.414 -9.415 -10.827 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.379 -11.107 -12.719 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.864 -11.964 -12.354 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.194 -11.811 -9.876 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.629 -11.245 -10.423 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.107 -12.743 -10.806 1.00 25.00 H new ATOM 0 HE22 GLN A 40 10.417 -14.464 -11.059 1.00 25.00 H new ATOM 631 N GLY A 41 16.214 -9.445 -12.056 1.00 25.00 N ATOM 632 CA GLY A 41 17.638 -9.708 -11.913 1.00 25.00 C ATOM 633 C GLY A 41 18.044 -10.837 -12.842 1.00 25.00 C ATOM 634 O GLY A 41 19.172 -11.330 -12.806 1.00 25.00 O ATOM 0 H GLY A 41 15.977 -8.684 -12.693 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.209 -8.809 -12.146 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.867 -9.973 -10.881 1.00 25.00 H new ATOM 638 N LEU A 42 17.101 -11.232 -13.689 1.00 25.00 N ATOM 639 CA LEU A 42 17.336 -12.235 -14.715 1.00 25.00 C ATOM 640 C LEU A 42 17.222 -11.532 -16.062 1.00 25.00 C ATOM 641 O LEU A 42 16.113 -11.164 -16.492 1.00 25.00 O ATOM 642 CB LEU A 42 16.284 -13.354 -14.635 1.00 25.00 C ATOM 643 CG LEU A 42 16.201 -14.158 -13.329 1.00 25.00 C ATOM 644 CD1 LEU A 42 15.032 -15.145 -13.413 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.502 -14.916 -13.050 1.00 25.00 C ATOM 0 H LEU A 42 16.150 -10.863 -13.682 1.00 25.00 H new ATOM 0 HA LEU A 42 18.319 -12.687 -14.580 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.306 -12.910 -14.819 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.475 -14.053 -15.449 1.00 25.00 H new ATOM 0 HG LEU A 42 16.041 -13.459 -12.508 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.971 -15.717 -12.487 1.00 25.00 H new ATOM 0 HD12 LEU A 42 14.102 -14.596 -13.562 1.00 25.00 H new ATOM 0 HD13 LEU A 42 15.190 -15.825 -14.250 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.406 -15.473 -12.118 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.702 -15.608 -13.868 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.325 -14.207 -12.965 1.00 25.00 H new ATOM 657 N ASP A 43 18.340 -11.380 -16.749 1.00 25.00 N ATOM 658 CA ASP A 43 18.315 -10.767 -18.067 1.00 25.00 C ATOM 659 C ASP A 43 17.561 -11.713 -18.991 1.00 25.00 C ATOM 660 O ASP A 43 17.562 -12.934 -18.811 1.00 25.00 O ATOM 661 CB ASP A 43 19.723 -10.494 -18.602 1.00 25.00 C ATOM 662 CG ASP A 43 19.703 -9.632 -19.873 1.00 25.00 C ATOM 663 OD1 ASP A 43 20.704 -9.649 -20.621 1.00 25.00 O ATOM 664 OD2 ASP A 43 18.660 -8.972 -20.150 1.00 25.00 O ATOM 0 H ASP A 43 19.263 -11.667 -16.424 1.00 25.00 H new ATOM 0 HA ASP A 43 17.820 -9.798 -18.011 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.311 -9.992 -17.834 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.219 -11.441 -18.815 1.00 25.00 H new ATOM 669 N GLY A 44 16.874 -11.135 -19.955 1.00 25.00 N ATOM 670 CA GLY A 44 16.054 -11.907 -20.866 1.00 25.00 C ATOM 671 C GLY A 44 14.602 -11.960 -20.435 1.00 25.00 C ATOM 672 O GLY A 44 13.729 -12.153 -21.276 1.00 25.00 O ATOM 0 H GLY A 44 16.867 -10.130 -20.128 1.00 25.00 H new ATOM 0 HA2 GLY A 44 16.118 -11.473 -21.864 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.447 -12.921 -20.933 1.00 25.00 H new ATOM 676 N TRP A 45 14.319 -11.740 -19.160 1.00 25.00 N ATOM 677 CA TRP A 45 12.929 -11.699 -18.694 1.00 25.00 C ATOM 678 C TRP A 45 12.444 -10.261 -18.716 1.00 25.00 C ATOM 679 O TRP A 45 13.149 -9.350 -18.277 1.00 25.00 O ATOM 680 CB TRP A 45 12.810 -12.281 -17.287 1.00 25.00 C ATOM 681 CG TRP A 45 12.898 -13.768 -17.295 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.013 -14.528 -17.205 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.806 -14.701 -17.408 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.722 -15.859 -17.246 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.368 -16.010 -17.371 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.409 -14.566 -17.526 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.575 -17.177 -17.452 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.605 -15.732 -17.599 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.201 -17.028 -17.566 1.00 25.00 C ATOM 0 H TRP A 45 15.018 -11.588 -18.433 1.00 25.00 H new ATOM 0 HA TRP A 45 12.310 -12.304 -19.356 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.600 -11.873 -16.657 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.861 -11.975 -16.846 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.012 -14.129 -17.112 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.402 -16.618 -17.192 1.00 25.00 H new ATOM 0 HE3 TRP A 45 9.956 -13.586 -17.560 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.027 -18.158 -17.426 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.532 -15.638 -17.680 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.574 -17.905 -17.631 1.00 25.00 H new ATOM 700 N TRP A 46 11.267 -10.039 -19.281 1.00 25.00 N ATOM 701 CA TRP A 46 10.735 -8.696 -19.446 1.00 25.00 C ATOM 702 C TRP A 46 9.425 -8.597 -18.684 1.00 25.00 C ATOM 703 O TRP A 46 8.623 -9.529 -18.708 1.00 25.00 O ATOM 704 CB TRP A 46 10.491 -8.409 -20.934 1.00 25.00 C ATOM 705 CG TRP A 46 11.725 -8.512 -21.833 1.00 25.00 C ATOM 706 CD1 TRP A 46 13.015 -8.773 -21.472 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.766 -8.353 -23.267 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.849 -8.797 -22.549 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.120 -8.539 -23.677 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.791 -8.088 -24.247 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.516 -8.456 -25.030 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.181 -8.013 -25.608 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.543 -8.195 -25.983 1.00 25.00 C ATOM 0 H TRP A 46 10.659 -10.778 -19.635 1.00 25.00 H new ATOM 0 HA TRP A 46 11.447 -7.966 -19.061 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.736 -9.104 -21.302 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.075 -7.406 -21.030 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.336 -8.940 -20.455 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.852 -8.978 -22.519 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.758 -7.944 -23.966 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.549 -8.592 -25.315 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.439 -7.816 -26.367 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.822 -8.129 -27.024 1.00 25.00 H new ATOM 724 N LEU A 47 9.197 -7.475 -18.019 1.00 25.00 N ATOM 725 CA LEU A 47 7.935 -7.258 -17.322 1.00 25.00 C ATOM 726 C LEU A 47 6.966 -6.737 -18.355 1.00 25.00 C ATOM 727 O LEU A 47 7.227 -5.710 -18.990 1.00 25.00 O ATOM 728 CB LEU A 47 8.082 -6.226 -16.206 1.00 25.00 C ATOM 729 CG LEU A 47 6.821 -5.950 -15.367 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.432 -7.163 -14.520 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.069 -4.749 -14.461 1.00 25.00 C ATOM 0 H LEU A 47 9.862 -6.705 -17.946 1.00 25.00 H new ATOM 0 HA LEU A 47 7.595 -8.186 -16.863 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.875 -6.557 -15.535 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.411 -5.286 -16.649 1.00 25.00 H new ATOM 0 HG LEU A 47 5.997 -5.741 -16.050 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.538 -6.931 -13.941 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.232 -8.013 -15.172 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.249 -7.410 -13.842 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.177 -4.552 -13.866 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.908 -4.960 -13.798 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.299 -3.875 -15.070 1.00 25.00 H new ATOM 743 N CYS A 48 5.861 -7.435 -18.541 1.00 25.00 N ATOM 744 CA CYS A 48 4.868 -7.029 -19.516 1.00 25.00 C ATOM 745 C CYS A 48 3.529 -6.846 -18.842 1.00 25.00 C ATOM 746 O CYS A 48 3.269 -7.457 -17.812 1.00 25.00 O ATOM 747 CB CYS A 48 4.759 -8.083 -20.613 1.00 25.00 C ATOM 748 SG CYS A 48 6.341 -8.434 -21.402 1.00 25.00 S ATOM 0 H CYS A 48 5.629 -8.286 -18.029 1.00 25.00 H new ATOM 0 HA CYS A 48 5.172 -6.082 -19.961 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.358 -9.003 -20.188 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.049 -7.744 -21.367 1.00 25.00 H new ATOM 0 HG CYS A 48 7.196 -8.825 -20.504 1.00 25.00 H new ATOM 754 N SER A 49 2.667 -6.042 -19.446 1.00 25.00 N ATOM 755 CA SER A 49 1.303 -5.875 -18.965 1.00 25.00 C ATOM 756 C SER A 49 0.361 -6.373 -20.058 1.00 25.00 C ATOM 757 O SER A 49 0.544 -6.084 -21.244 1.00 25.00 O ATOM 758 CB SER A 49 1.028 -4.419 -18.596 1.00 25.00 C ATOM 759 OG SER A 49 1.279 -3.557 -19.691 1.00 25.00 O ATOM 0 H SER A 49 2.890 -5.492 -20.275 1.00 25.00 H new ATOM 0 HA SER A 49 1.145 -6.454 -18.055 1.00 25.00 H new ATOM 0 HB2 SER A 49 -0.008 -4.312 -18.276 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.654 -4.131 -17.752 1.00 25.00 H new ATOM 0 HG SER A 49 1.093 -2.631 -19.428 1.00 25.00 H new ATOM 765 N LEU A 50 -0.585 -7.209 -19.656 1.00 25.00 N ATOM 766 CA LEU A 50 -1.481 -7.903 -20.576 1.00 25.00 C ATOM 767 C LEU A 50 -2.808 -8.185 -19.858 1.00 25.00 C ATOM 768 O LEU A 50 -2.805 -8.630 -18.712 1.00 25.00 O ATOM 769 CB LEU A 50 -0.793 -9.215 -21.003 1.00 25.00 C ATOM 770 CG LEU A 50 -1.327 -10.090 -22.152 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.059 -11.285 -21.582 1.00 25.00 C ATOM 772 CD2 LEU A 50 -2.214 -9.330 -23.126 1.00 25.00 C ATOM 0 H LEU A 50 -0.756 -7.428 -18.675 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.691 -7.301 -21.460 1.00 25.00 H new ATOM 0 HB2 LEU A 50 0.236 -8.960 -21.257 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.755 -9.850 -20.118 1.00 25.00 H new ATOM 0 HG LEU A 50 -0.465 -10.423 -22.730 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.436 -11.903 -22.397 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -1.375 -11.871 -20.968 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -2.893 -10.943 -20.970 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -2.556 -10.006 -23.910 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -3.075 -8.926 -22.594 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.647 -8.513 -23.573 1.00 25.00 H new ATOM 784 N HIS A 51 -3.927 -7.866 -20.506 1.00 25.00 N ATOM 785 CA HIS A 51 -5.282 -8.054 -19.940 1.00 25.00 C ATOM 786 C HIS A 51 -5.466 -7.414 -18.552 1.00 25.00 C ATOM 787 O HIS A 51 -6.145 -7.956 -17.688 1.00 25.00 O ATOM 788 CB HIS A 51 -5.660 -9.547 -19.904 1.00 25.00 C ATOM 789 CG HIS A 51 -5.810 -10.155 -21.264 1.00 25.00 C ATOM 790 ND1 HIS A 51 -5.376 -11.411 -21.610 1.00 25.00 N ATOM 791 CD2 HIS A 51 -6.388 -9.661 -22.394 1.00 25.00 C ATOM 792 CE1 HIS A 51 -5.678 -11.620 -22.888 1.00 25.00 C ATOM 793 NE2 HIS A 51 -6.308 -10.588 -23.412 1.00 25.00 N ATOM 0 H HIS A 51 -3.930 -7.467 -21.445 1.00 25.00 H new ATOM 0 HA HIS A 51 -5.962 -7.527 -20.610 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.896 -10.094 -19.352 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -6.595 -9.664 -19.356 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.843 -8.685 -22.480 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -5.437 -12.523 -23.429 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -6.660 -10.495 -24.365 1.00 25.00 H new ATOM 801 N GLY A 52 -4.862 -6.249 -18.340 1.00 25.00 N ATOM 802 CA GLY A 52 -5.025 -5.534 -17.078 1.00 25.00 C ATOM 803 C GLY A 52 -4.189 -6.077 -15.936 1.00 25.00 C ATOM 804 O GLY A 52 -4.272 -5.591 -14.813 1.00 25.00 O ATOM 0 H GLY A 52 -4.260 -5.783 -19.019 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.769 -4.486 -17.233 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.076 -5.566 -16.790 1.00 25.00 H new ATOM 808 N ARG A 53 -3.365 -7.076 -16.223 1.00 25.00 N ATOM 809 CA ARG A 53 -2.476 -7.680 -15.232 1.00 25.00 C ATOM 810 C ARG A 53 -1.067 -7.446 -15.721 1.00 25.00 C ATOM 811 O ARG A 53 -0.884 -7.088 -16.875 1.00 25.00 O ATOM 812 CB ARG A 53 -2.736 -9.181 -15.113 1.00 25.00 C ATOM 813 CG ARG A 53 -4.180 -9.536 -14.764 1.00 25.00 C ATOM 814 CD ARG A 53 -4.282 -10.994 -14.340 1.00 25.00 C ATOM 815 NE ARG A 53 -3.699 -11.188 -12.997 1.00 25.00 N ATOM 816 CZ ARG A 53 -3.165 -12.320 -12.541 1.00 25.00 C ATOM 817 NH1 ARG A 53 -3.110 -13.409 -13.262 1.00 25.00 N ATOM 818 NH2 ARG A 53 -2.665 -12.348 -11.337 1.00 25.00 N ATOM 0 H ARG A 53 -3.292 -7.493 -17.151 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.641 -7.239 -14.249 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.472 -9.661 -16.056 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -2.077 -9.594 -14.350 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -4.535 -8.891 -13.960 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.824 -9.355 -15.625 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -5.327 -11.305 -14.337 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.764 -11.625 -15.062 1.00 25.00 H new ATOM 0 HE ARG A 53 -3.706 -10.387 -12.365 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -3.484 -13.412 -14.211 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -2.693 -14.256 -12.876 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -2.686 -11.510 -10.757 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -2.253 -13.208 -10.976 1.00 25.00 H new ATOM 832 N GLN A 54 -0.078 -7.669 -14.879 1.00 25.00 N ATOM 833 CA GLN A 54 1.311 -7.609 -15.311 1.00 25.00 C ATOM 834 C GLN A 54 2.005 -8.829 -14.743 1.00 25.00 C ATOM 835 O GLN A 54 1.522 -9.407 -13.770 1.00 25.00 O ATOM 836 CB GLN A 54 1.989 -6.303 -14.865 1.00 25.00 C ATOM 837 CG GLN A 54 2.183 -6.168 -13.359 1.00 25.00 C ATOM 838 CD GLN A 54 2.903 -4.890 -12.993 1.00 25.00 C ATOM 839 OE1 GLN A 54 2.524 -3.809 -13.412 1.00 25.00 O ATOM 840 NE2 GLN A 54 3.944 -5.010 -12.214 1.00 25.00 N ATOM 0 H GLN A 54 -0.206 -7.893 -13.892 1.00 25.00 H new ATOM 0 HA GLN A 54 1.373 -7.612 -16.399 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.962 -6.230 -15.351 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.393 -5.461 -15.218 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.212 -6.191 -12.865 1.00 25.00 H new ATOM 0 HG3 GLN A 54 2.750 -7.022 -12.988 1.00 25.00 H new ATOM 0 HE21 GLN A 54 4.230 -5.932 -11.884 1.00 25.00 H new ATOM 0 HE22 GLN A 54 4.471 -4.182 -11.936 1.00 25.00 H new ATOM 849 N GLY A 55 3.103 -9.220 -15.362 1.00 25.00 N ATOM 850 CA GLY A 55 3.855 -10.379 -14.922 1.00 25.00 C ATOM 851 C GLY A 55 5.078 -10.543 -15.796 1.00 25.00 C ATOM 852 O GLY A 55 5.226 -9.827 -16.800 1.00 25.00 O ATOM 0 H GLY A 55 3.496 -8.748 -16.176 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.152 -10.260 -13.880 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.233 -11.272 -14.976 1.00 25.00 H new ATOM 856 N ILE A 56 5.968 -11.450 -15.426 1.00 25.00 N ATOM 857 CA ILE A 56 7.195 -11.658 -16.182 1.00 25.00 C ATOM 858 C ILE A 56 6.929 -12.539 -17.403 1.00 25.00 C ATOM 859 O ILE A 56 6.071 -13.431 -17.387 1.00 25.00 O ATOM 860 CB ILE A 56 8.333 -12.250 -15.286 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.016 -13.698 -14.851 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.540 -11.343 -14.054 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.146 -14.405 -14.097 1.00 25.00 C ATOM 0 H ILE A 56 5.865 -12.053 -14.610 1.00 25.00 H new ATOM 0 HA ILE A 56 7.541 -10.686 -16.533 1.00 25.00 H new ATOM 0 HB ILE A 56 9.253 -12.283 -15.870 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.128 -13.686 -14.219 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.768 -14.282 -15.737 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.333 -11.754 -13.429 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.819 -10.342 -14.382 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.615 -11.292 -13.480 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.831 -15.415 -13.833 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.031 -14.455 -14.731 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.381 -13.849 -13.189 1.00 25.00 H new ATOM 875 N VAL A 57 7.638 -12.236 -18.478 1.00 25.00 N ATOM 876 CA VAL A 57 7.507 -12.946 -19.744 1.00 25.00 C ATOM 877 C VAL A 57 8.909 -13.146 -20.313 1.00 25.00 C ATOM 878 O VAL A 57 9.713 -12.207 -20.315 1.00 25.00 O ATOM 879 CB VAL A 57 6.678 -12.092 -20.761 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.640 -12.747 -22.138 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.249 -11.881 -20.250 1.00 25.00 C ATOM 0 H VAL A 57 8.327 -11.484 -18.499 1.00 25.00 H new ATOM 0 HA VAL A 57 7.001 -13.898 -19.582 1.00 25.00 H new ATOM 0 HB VAL A 57 7.172 -11.125 -20.854 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.056 -12.128 -22.819 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.656 -12.849 -22.520 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.181 -13.732 -22.060 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.689 -11.285 -20.971 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.762 -12.848 -20.122 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.278 -11.360 -19.293 1.00 25.00 H new ATOM 891 N PRO A 58 9.234 -14.356 -20.809 1.00 25.00 N ATOM 892 CA PRO A 58 10.568 -14.442 -21.418 1.00 25.00 C ATOM 893 C PRO A 58 10.612 -13.672 -22.748 1.00 25.00 C ATOM 894 O PRO A 58 9.867 -13.967 -23.687 1.00 25.00 O ATOM 895 CB PRO A 58 10.762 -15.948 -21.611 1.00 25.00 C ATOM 896 CG PRO A 58 9.377 -16.475 -21.784 1.00 25.00 C ATOM 897 CD PRO A 58 8.508 -15.643 -20.891 1.00 25.00 C ATOM 0 HA PRO A 58 11.358 -13.997 -20.813 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.381 -16.162 -22.482 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.256 -16.400 -20.751 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.057 -16.398 -22.823 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.323 -17.529 -21.511 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.509 -15.515 -21.308 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.387 -16.100 -19.909 1.00 25.00 H new ATOM 905 N GLY A 59 11.478 -12.671 -22.812 1.00 25.00 N ATOM 906 CA GLY A 59 11.550 -11.780 -23.960 1.00 25.00 C ATOM 907 C GLY A 59 11.927 -12.445 -25.261 1.00 25.00 C ATOM 908 O GLY A 59 11.608 -11.949 -26.331 1.00 25.00 O ATOM 0 H GLY A 59 12.147 -12.455 -22.073 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.582 -11.294 -24.085 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.276 -10.995 -23.747 1.00 25.00 H new ATOM 912 N ASN A 60 12.558 -13.603 -25.170 1.00 25.00 N ATOM 913 CA ASN A 60 12.907 -14.388 -26.353 1.00 25.00 C ATOM 914 C ASN A 60 11.658 -14.775 -27.152 1.00 25.00 C ATOM 915 O ASN A 60 11.707 -14.914 -28.370 1.00 25.00 O ATOM 916 CB ASN A 60 13.655 -15.652 -25.923 1.00 25.00 C ATOM 917 CG ASN A 60 14.048 -16.517 -27.093 1.00 25.00 C ATOM 918 OD1 ASN A 60 13.362 -17.466 -27.425 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.160 -16.209 -27.703 1.00 25.00 N ATOM 0 H ASN A 60 12.843 -14.026 -24.287 1.00 25.00 H new ATOM 0 HA ASN A 60 13.544 -13.778 -26.994 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.549 -15.370 -25.368 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.027 -16.229 -25.244 1.00 25.00 H new ATOM 0 HD21 ASN A 60 15.483 -16.772 -28.490 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.706 -15.405 -27.393 1.00 25.00 H new ATOM 926 N ARG A 61 10.524 -14.907 -26.472 1.00 25.00 N ATOM 927 CA ARG A 61 9.268 -15.274 -27.132 1.00 25.00 C ATOM 928 C ARG A 61 8.483 -14.059 -27.624 1.00 25.00 C ATOM 929 O ARG A 61 7.328 -14.197 -28.025 1.00 25.00 O ATOM 930 CB ARG A 61 8.380 -16.085 -26.175 1.00 25.00 C ATOM 931 CG ARG A 61 9.025 -17.365 -25.643 1.00 25.00 C ATOM 932 CD ARG A 61 7.967 -18.265 -25.003 1.00 25.00 C ATOM 933 NE ARG A 61 8.547 -19.244 -24.065 1.00 25.00 N ATOM 934 CZ ARG A 61 7.854 -20.168 -23.402 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.572 -20.343 -23.586 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.458 -20.927 -22.532 1.00 25.00 N ATOM 0 H ARG A 61 10.445 -14.766 -25.465 1.00 25.00 H new ATOM 0 HA ARG A 61 9.539 -15.873 -28.001 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.106 -15.453 -25.330 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.456 -16.346 -26.691 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.521 -17.896 -26.456 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.793 -17.116 -24.910 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.241 -17.647 -24.474 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.424 -18.795 -25.786 1.00 25.00 H new ATOM 0 HE ARG A 61 9.555 -19.211 -23.912 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.069 -19.761 -24.256 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.075 -21.061 -23.060 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.457 -20.812 -22.361 1.00 25.00 H new ATOM 0 HH22 ARG A 61 7.932 -21.636 -22.022 1.00 25.00 H new ATOM 950 N LEU A 62 9.083 -12.877 -27.573 1.00 25.00 N ATOM 951 CA LEU A 62 8.400 -11.637 -27.951 1.00 25.00 C ATOM 952 C LEU A 62 9.108 -10.907 -29.085 1.00 25.00 C ATOM 953 O LEU A 62 10.325 -10.938 -29.197 1.00 25.00 O ATOM 954 CB LEU A 62 8.348 -10.679 -26.750 1.00 25.00 C ATOM 955 CG LEU A 62 7.591 -11.131 -25.493 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.702 -10.039 -24.433 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.128 -11.404 -25.807 1.00 25.00 C ATOM 0 H LEU A 62 10.049 -12.746 -27.272 1.00 25.00 H new ATOM 0 HA LEU A 62 7.401 -11.922 -28.279 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.374 -10.455 -26.458 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.902 -9.744 -27.089 1.00 25.00 H new ATOM 0 HG LEU A 62 8.033 -12.057 -25.125 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.168 -10.348 -23.535 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.752 -9.872 -24.192 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.266 -9.116 -24.815 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.614 -11.723 -24.900 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.662 -10.495 -26.188 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.058 -12.190 -26.559 1.00 25.00 H new ATOM 969 N LYS A 63 8.335 -10.163 -29.868 1.00 25.00 N ATOM 970 CA LYS A 63 8.898 -9.244 -30.864 1.00 25.00 C ATOM 971 C LYS A 63 8.379 -7.844 -30.585 1.00 25.00 C ATOM 972 O LYS A 63 7.178 -7.606 -30.684 1.00 25.00 O ATOM 973 CB LYS A 63 8.504 -9.654 -32.283 1.00 25.00 C ATOM 974 CG LYS A 63 9.086 -8.724 -33.347 1.00 25.00 C ATOM 975 CD LYS A 63 8.542 -9.003 -34.736 1.00 25.00 C ATOM 976 CE LYS A 63 9.118 -7.981 -35.719 1.00 25.00 C ATOM 977 NZ LYS A 63 8.567 -8.138 -37.111 1.00 25.00 N ATOM 0 H LYS A 63 7.316 -10.175 -29.836 1.00 25.00 H new ATOM 0 HA LYS A 63 9.985 -9.274 -30.791 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.844 -10.672 -32.471 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.417 -9.661 -32.367 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.868 -7.691 -33.078 1.00 25.00 H new ATOM 0 HG3 LYS A 63 10.171 -8.828 -33.359 1.00 25.00 H new ATOM 0 HD2 LYS A 63 8.807 -10.013 -35.047 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.453 -8.947 -34.731 1.00 25.00 H new ATOM 0 HE2 LYS A 63 8.902 -6.975 -35.359 1.00 25.00 H new ATOM 0 HE3 LYS A 63 10.203 -8.083 -35.749 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 8.990 -7.422 -37.735 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 8.795 -9.087 -37.469 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 7.535 -8.014 -37.092 1.00 25.00 H new ATOM 991 N ILE A 64 9.284 -6.928 -30.276 1.00 25.00 N ATOM 992 CA ILE A 64 8.937 -5.520 -30.070 1.00 25.00 C ATOM 993 C ILE A 64 8.390 -4.969 -31.390 1.00 25.00 C ATOM 994 O ILE A 64 8.953 -5.218 -32.462 1.00 25.00 O ATOM 995 CB ILE A 64 10.197 -4.680 -29.643 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.749 -5.161 -28.277 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.870 -3.164 -29.580 1.00 25.00 C ATOM 998 CD1 ILE A 64 9.855 -4.852 -27.041 1.00 25.00 C ATOM 0 H ILE A 64 10.277 -7.133 -30.160 1.00 25.00 H new ATOM 0 HA ILE A 64 8.196 -5.446 -29.274 1.00 25.00 H new ATOM 0 HB ILE A 64 10.963 -4.835 -30.403 1.00 25.00 H new ATOM 0 HG12 ILE A 64 10.906 -6.238 -28.328 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.726 -4.704 -28.119 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.761 -2.612 -29.282 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.542 -2.821 -30.561 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.077 -2.993 -28.852 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.336 -5.232 -26.140 1.00 25.00 H new ATOM 0 HD12 ILE A 64 9.717 -3.774 -26.952 1.00 25.00 H new ATOM 0 HD13 ILE A 64 8.885 -5.333 -27.164 1.00 25.00 H new