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 K(o=0,f=-0.54) 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= 0.662 K(o=0.66,f=-0.26) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0276 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 1.12 (180deg=1.12) USER MOD Single : A 32 MET CE :methyl 151:sc= -0.0155 (180deg=-1.01) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -150:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.075 K(o=-0.075,f=-2.2) USER MOD Single : A 48 CYS SG : rot 58:sc= -1.98 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0403 USER MOD Single : A 51 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.027) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 60 ASN : amide:sc= -0.0595 K(o=-0.059,f=-0.86) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.639 1.991 -20.557 1.00 25.00 N ATOM 81 CA LEU A 6 9.967 1.776 -21.966 1.00 25.00 C ATOM 82 C LEU A 6 8.789 2.145 -22.862 1.00 25.00 C ATOM 83 O LEU A 6 8.982 2.696 -23.938 1.00 25.00 O ATOM 84 CB LEU A 6 10.346 0.308 -22.207 1.00 25.00 C ATOM 85 CG LEU A 6 11.616 -0.211 -21.514 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.697 -1.716 -21.704 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.885 0.456 -22.054 1.00 25.00 C ATOM 0 HA LEU A 6 10.814 2.417 -22.213 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.509 -0.314 -21.889 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.463 0.161 -23.281 1.00 25.00 H new ATOM 0 HG LEU A 6 11.553 0.037 -20.455 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.595 -2.096 -21.216 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.818 -2.186 -21.264 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.737 -1.947 -22.769 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.756 0.057 -21.534 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.976 0.254 -23.121 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.828 1.532 -21.892 1.00 25.00 H new ATOM 99 N ASN A 7 7.583 1.820 -22.399 1.00 25.00 N ATOM 100 CA ASN A 7 6.330 2.090 -23.120 1.00 25.00 C ATOM 101 C ASN A 7 6.376 1.481 -24.520 1.00 25.00 C ATOM 102 O ASN A 7 5.776 1.994 -25.464 1.00 25.00 O ATOM 103 CB ASN A 7 6.044 3.597 -23.211 1.00 25.00 C ATOM 104 CG ASN A 7 5.958 4.253 -21.863 1.00 25.00 C ATOM 105 OD1 ASN A 7 5.590 3.640 -20.875 1.00 25.00 O ATOM 106 ND2 ASN A 7 6.300 5.505 -21.821 1.00 25.00 N ATOM 0 H ASN A 7 7.442 1.356 -21.502 1.00 25.00 H new ATOM 0 HA ASN A 7 5.521 1.627 -22.555 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.829 4.077 -23.795 1.00 25.00 H new ATOM 0 HB3 ASN A 7 5.108 3.753 -23.747 1.00 25.00 H new ATOM 0 HD21 ASN A 7 6.267 6.013 -20.937 1.00 25.00 H new ATOM 0 HD22 ASN A 7 6.602 5.980 -22.672 1.00 25.00 H new ATOM 113 N VAL A 8 7.112 0.390 -24.645 1.00 25.00 N ATOM 114 CA VAL A 8 7.265 -0.291 -25.918 1.00 25.00 C ATOM 115 C VAL A 8 6.312 -1.469 -25.823 1.00 25.00 C ATOM 116 O VAL A 8 5.861 -1.803 -24.741 1.00 25.00 O ATOM 117 CB VAL A 8 8.757 -0.702 -26.158 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.178 -1.867 -25.261 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.002 -1.049 -27.626 1.00 25.00 C ATOM 0 H VAL A 8 7.617 -0.046 -23.873 1.00 25.00 H new ATOM 0 HA VAL A 8 7.024 0.333 -26.779 1.00 25.00 H new ATOM 0 HB VAL A 8 9.371 0.160 -25.896 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.219 -2.121 -25.459 1.00 25.00 H new ATOM 0 HG12 VAL A 8 9.067 -1.580 -24.215 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.548 -2.732 -25.468 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.046 -1.331 -27.764 1.00 25.00 H new ATOM 0 HG22 VAL A 8 8.360 -1.881 -27.915 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.775 -0.183 -28.247 1.00 25.00 H new ATOM 129 N LEU A 9 5.967 -2.076 -26.939 1.00 25.00 N ATOM 130 CA LEU A 9 5.020 -3.178 -26.946 1.00 25.00 C ATOM 131 C LEU A 9 5.515 -4.223 -27.909 1.00 25.00 C ATOM 132 O LEU A 9 6.386 -3.952 -28.751 1.00 25.00 O ATOM 133 CB LEU A 9 3.623 -2.683 -27.336 1.00 25.00 C ATOM 134 CG LEU A 9 3.577 -1.776 -28.570 1.00 25.00 C ATOM 135 CD1 LEU A 9 2.390 -2.132 -29.438 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.492 -0.310 -28.134 1.00 25.00 C ATOM 0 H LEU A 9 6.329 -1.825 -27.859 1.00 25.00 H new ATOM 0 HA LEU A 9 4.943 -3.612 -25.949 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.985 -3.548 -27.516 1.00 25.00 H new ATOM 0 HB3 LEU A 9 3.197 -2.143 -26.491 1.00 25.00 H new ATOM 0 HG LEU A 9 4.488 -1.922 -29.151 1.00 25.00 H new ATOM 0 HD11 LEU A 9 2.369 -1.480 -30.311 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.474 -3.169 -29.762 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.470 -2.003 -28.867 1.00 25.00 H new ATOM 0 HD21 LEU A 9 3.460 0.330 -29.015 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.590 -0.158 -27.542 1.00 25.00 H new ATOM 0 HD23 LEU A 9 4.366 -0.058 -27.534 1.00 25.00 H new ATOM 148 N ALA A 10 5.005 -5.431 -27.754 1.00 25.00 N ATOM 149 CA ALA A 10 5.461 -6.559 -28.532 1.00 25.00 C ATOM 150 C ALA A 10 4.331 -7.566 -28.740 1.00 25.00 C ATOM 151 O ALA A 10 3.371 -7.608 -27.972 1.00 25.00 O ATOM 152 CB ALA A 10 6.628 -7.214 -27.806 1.00 25.00 C ATOM 0 H ALA A 10 4.266 -5.653 -27.087 1.00 25.00 H new ATOM 0 HA ALA A 10 5.784 -6.215 -29.515 1.00 25.00 H new ATOM 0 HB1 ALA A 10 6.982 -8.068 -28.383 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.437 -6.492 -27.692 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.301 -7.551 -26.822 1.00 25.00 H new ATOM 158 N LYS A 11 4.486 -8.399 -29.759 1.00 25.00 N ATOM 159 CA LYS A 11 3.551 -9.494 -30.021 1.00 25.00 C ATOM 160 C LYS A 11 4.238 -10.788 -29.639 1.00 25.00 C ATOM 161 O LYS A 11 5.403 -10.987 -29.990 1.00 25.00 O ATOM 162 CB LYS A 11 3.157 -9.530 -31.499 1.00 25.00 C ATOM 163 CG LYS A 11 2.145 -10.639 -31.807 1.00 25.00 C ATOM 164 CD LYS A 11 1.459 -10.478 -33.154 1.00 25.00 C ATOM 165 CE LYS A 11 2.359 -10.881 -34.304 1.00 25.00 C ATOM 166 NZ LYS A 11 1.586 -10.801 -35.588 1.00 25.00 N ATOM 0 H LYS A 11 5.256 -8.340 -30.425 1.00 25.00 H new ATOM 0 HA LYS A 11 2.641 -9.352 -29.438 1.00 25.00 H new ATOM 0 HB2 LYS A 11 2.734 -8.567 -31.783 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.050 -9.677 -32.107 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.655 -11.602 -31.781 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.388 -10.657 -31.023 1.00 25.00 H new ATOM 0 HD2 LYS A 11 0.553 -11.084 -33.174 1.00 25.00 H new ATOM 0 HD3 LYS A 11 1.151 -9.440 -33.282 1.00 25.00 H new ATOM 0 HE2 LYS A 11 3.229 -10.225 -34.348 1.00 25.00 H new ATOM 0 HE3 LYS A 11 2.731 -11.894 -34.152 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 2.200 -11.077 -36.381 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 0.770 -11.444 -35.542 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 1.252 -9.827 -35.732 1.00 25.00 H new ATOM 180 N ALA A 12 3.537 -11.666 -28.949 1.00 25.00 N ATOM 181 CA ALA A 12 4.110 -12.944 -28.567 1.00 25.00 C ATOM 182 C ALA A 12 4.234 -13.842 -29.794 1.00 25.00 C ATOM 183 O ALA A 12 3.319 -13.932 -30.621 1.00 25.00 O ATOM 184 CB ALA A 12 3.247 -13.605 -27.508 1.00 25.00 C ATOM 0 H ALA A 12 2.575 -11.521 -28.642 1.00 25.00 H new ATOM 0 HA ALA A 12 5.104 -12.782 -28.150 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.685 -14.563 -27.228 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.191 -12.961 -26.630 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.244 -13.766 -27.904 1.00 25.00 H new ATOM 190 N LEU A 13 5.377 -14.497 -29.906 1.00 25.00 N ATOM 191 CA LEU A 13 5.650 -15.416 -31.009 1.00 25.00 C ATOM 192 C LEU A 13 5.327 -16.840 -30.592 1.00 25.00 C ATOM 193 O LEU A 13 5.026 -17.689 -31.423 1.00 25.00 O ATOM 194 CB LEU A 13 7.132 -15.334 -31.392 1.00 25.00 C ATOM 195 CG LEU A 13 7.622 -13.977 -31.916 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.140 -14.016 -32.047 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.977 -13.654 -33.279 1.00 25.00 C ATOM 0 H LEU A 13 6.144 -14.410 -29.239 1.00 25.00 H new ATOM 0 HA LEU A 13 5.030 -15.137 -31.861 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.727 -15.599 -30.518 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.331 -16.088 -32.154 1.00 25.00 H new ATOM 0 HG LEU A 13 7.333 -13.195 -31.214 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.498 -13.056 -32.419 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.584 -14.216 -31.072 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.425 -14.804 -32.744 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.338 -12.688 -33.632 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.244 -14.427 -34.000 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.893 -13.618 -33.169 1.00 25.00 H new ATOM 209 N TYR A 14 5.394 -17.089 -29.293 1.00 25.00 N ATOM 210 CA TYR A 14 5.145 -18.410 -28.729 1.00 25.00 C ATOM 211 C TYR A 14 4.042 -18.269 -27.699 1.00 25.00 C ATOM 212 O TYR A 14 3.784 -17.171 -27.215 1.00 25.00 O ATOM 213 CB TYR A 14 6.416 -18.952 -28.070 1.00 25.00 C ATOM 214 CG TYR A 14 7.560 -19.138 -29.046 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.771 -20.375 -29.685 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.439 -18.073 -29.339 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.837 -20.542 -30.610 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.508 -18.240 -30.255 1.00 25.00 C ATOM 219 CZ TYR A 14 9.695 -19.470 -30.882 1.00 25.00 C ATOM 220 OH TYR A 14 10.728 -19.632 -31.765 1.00 25.00 O ATOM 0 H TYR A 14 5.623 -16.380 -28.597 1.00 25.00 H new ATOM 0 HA TYR A 14 4.849 -19.108 -29.512 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.728 -18.269 -27.280 1.00 25.00 H new ATOM 0 HB3 TYR A 14 6.193 -19.907 -27.595 1.00 25.00 H new ATOM 0 HD1 TYR A 14 7.116 -21.206 -29.470 1.00 25.00 H new ATOM 0 HD2 TYR A 14 8.295 -17.117 -28.858 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.985 -21.492 -31.101 1.00 25.00 H new ATOM 0 HE2 TYR A 14 10.175 -17.417 -30.466 1.00 25.00 H new ATOM 0 HH TYR A 14 11.227 -18.792 -31.842 1.00 25.00 H new ATOM 230 N ASP A 15 3.376 -19.368 -27.398 1.00 25.00 N ATOM 231 CA ASP A 15 2.306 -19.396 -26.411 1.00 25.00 C ATOM 232 C ASP A 15 2.833 -19.974 -25.118 1.00 25.00 C ATOM 233 O ASP A 15 3.883 -20.615 -25.118 1.00 25.00 O ATOM 234 CB ASP A 15 1.106 -20.212 -26.924 1.00 25.00 C ATOM 235 CG ASP A 15 1.475 -21.634 -27.347 1.00 25.00 C ATOM 236 OD1 ASP A 15 2.412 -21.803 -28.165 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.687 -22.541 -27.055 1.00 25.00 O ATOM 0 H ASP A 15 3.561 -20.272 -27.832 1.00 25.00 H new ATOM 0 HA ASP A 15 1.960 -18.378 -26.234 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.347 -20.259 -26.143 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.659 -19.693 -27.772 1.00 25.00 H new ATOM 242 N ASN A 16 2.152 -19.689 -24.015 1.00 25.00 N ATOM 243 CA ASN A 16 2.631 -20.078 -22.699 1.00 25.00 C ATOM 244 C ASN A 16 1.468 -20.309 -21.738 1.00 25.00 C ATOM 245 O ASN A 16 0.382 -19.762 -21.923 1.00 25.00 O ATOM 246 CB ASN A 16 3.508 -18.949 -22.152 1.00 25.00 C ATOM 247 CG ASN A 16 4.322 -19.383 -20.977 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.999 -20.386 -21.034 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.255 -18.643 -19.919 1.00 25.00 N ATOM 0 H ASN A 16 1.264 -19.188 -24.008 1.00 25.00 H new ATOM 0 HA ASN A 16 3.195 -21.007 -22.788 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.172 -18.593 -22.940 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.877 -18.109 -21.864 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.786 -18.895 -19.086 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.671 -17.807 -19.918 1.00 25.00 H new ATOM 256 N VAL A 17 1.717 -21.069 -20.687 1.00 25.00 N ATOM 257 CA VAL A 17 0.752 -21.261 -19.612 1.00 25.00 C ATOM 258 C VAL A 17 1.551 -20.924 -18.370 1.00 25.00 C ATOM 259 O VAL A 17 2.639 -21.450 -18.195 1.00 25.00 O ATOM 260 CB VAL A 17 0.220 -22.723 -19.542 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.754 -22.890 -18.366 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.485 -23.104 -20.855 1.00 25.00 C ATOM 0 H VAL A 17 2.594 -21.572 -20.552 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.139 -20.647 -19.746 1.00 25.00 H new ATOM 0 HB VAL A 17 1.073 -23.385 -19.391 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -1.114 -23.918 -18.335 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -0.241 -22.657 -17.433 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.599 -22.214 -18.495 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.850 -24.129 -20.788 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.324 -22.430 -21.026 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.219 -23.023 -21.683 1.00 25.00 H new ATOM 272 N ALA A 18 1.056 -19.998 -17.563 1.00 25.00 N ATOM 273 CA ALA A 18 1.799 -19.557 -16.394 1.00 25.00 C ATOM 274 C ALA A 18 1.841 -20.673 -15.348 1.00 25.00 C ATOM 275 O ALA A 18 0.792 -21.135 -14.888 1.00 25.00 O ATOM 276 CB ALA A 18 1.160 -18.298 -15.808 1.00 25.00 C ATOM 0 H ALA A 18 0.153 -19.542 -17.694 1.00 25.00 H new ATOM 0 HA ALA A 18 2.820 -19.320 -16.692 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.725 -17.977 -14.933 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.167 -17.505 -16.556 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.132 -18.513 -15.517 1.00 25.00 H new ATOM 282 N GLU A 19 3.041 -21.091 -14.972 1.00 25.00 N ATOM 283 CA GLU A 19 3.213 -22.117 -13.941 1.00 25.00 C ATOM 284 C GLU A 19 3.601 -21.449 -12.619 1.00 25.00 C ATOM 285 O GLU A 19 3.474 -22.034 -11.544 1.00 25.00 O ATOM 286 CB GLU A 19 4.254 -23.165 -14.374 1.00 25.00 C ATOM 287 CG GLU A 19 5.691 -22.643 -14.530 1.00 25.00 C ATOM 288 CD GLU A 19 6.651 -23.736 -15.009 1.00 25.00 C ATOM 289 OE1 GLU A 19 7.722 -23.393 -15.570 1.00 25.00 O ATOM 290 OE2 GLU A 19 6.353 -24.938 -14.809 1.00 25.00 O ATOM 0 H GLU A 19 3.914 -20.738 -15.363 1.00 25.00 H new ATOM 0 HA GLU A 19 2.271 -22.646 -13.800 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.257 -23.973 -13.642 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.937 -23.596 -15.324 1.00 25.00 H new ATOM 0 HG2 GLU A 19 5.701 -21.816 -15.240 1.00 25.00 H new ATOM 0 HG3 GLU A 19 6.039 -22.248 -13.575 1.00 25.00 H new ATOM 297 N SER A 20 4.006 -20.191 -12.712 1.00 25.00 N ATOM 298 CA SER A 20 4.320 -19.381 -11.535 1.00 25.00 C ATOM 299 C SER A 20 3.279 -18.280 -11.388 1.00 25.00 C ATOM 300 O SER A 20 2.802 -17.750 -12.388 1.00 25.00 O ATOM 301 CB SER A 20 5.696 -18.733 -11.696 1.00 25.00 C ATOM 302 OG SER A 20 5.983 -17.878 -10.606 1.00 25.00 O ATOM 0 H SER A 20 4.127 -19.701 -13.599 1.00 25.00 H new ATOM 0 HA SER A 20 4.319 -20.023 -10.654 1.00 25.00 H new ATOM 0 HB2 SER A 20 6.460 -19.507 -11.767 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.729 -18.166 -12.626 1.00 25.00 H new ATOM 0 HG SER A 20 6.868 -17.476 -10.730 1.00 25.00 H new ATOM 308 N PRO A 21 2.955 -17.871 -10.145 1.00 25.00 N ATOM 309 CA PRO A 21 2.029 -16.741 -10.017 1.00 25.00 C ATOM 310 C PRO A 21 2.638 -15.401 -10.443 1.00 25.00 C ATOM 311 O PRO A 21 1.919 -14.426 -10.657 1.00 25.00 O ATOM 312 CB PRO A 21 1.718 -16.737 -8.524 1.00 25.00 C ATOM 313 CG PRO A 21 2.953 -17.252 -7.895 1.00 25.00 C ATOM 314 CD PRO A 21 3.391 -18.354 -8.817 1.00 25.00 C ATOM 0 HA PRO A 21 1.159 -16.853 -10.664 1.00 25.00 H new ATOM 0 HB2 PRO A 21 1.479 -15.734 -8.170 1.00 25.00 H new ATOM 0 HB3 PRO A 21 0.860 -17.369 -8.294 1.00 25.00 H new ATOM 0 HG2 PRO A 21 3.713 -16.475 -7.810 1.00 25.00 H new ATOM 0 HG3 PRO A 21 2.764 -17.624 -6.888 1.00 25.00 H new ATOM 0 HD2 PRO A 21 4.469 -18.508 -8.778 1.00 25.00 H new ATOM 0 HD3 PRO A 21 2.924 -19.305 -8.560 1.00 25.00 H new ATOM 322 N ASP A 22 3.961 -15.361 -10.560 1.00 25.00 N ATOM 323 CA ASP A 22 4.683 -14.157 -10.969 1.00 25.00 C ATOM 324 C ASP A 22 4.630 -14.001 -12.485 1.00 25.00 C ATOM 325 O ASP A 22 4.982 -12.959 -13.043 1.00 25.00 O ATOM 326 CB ASP A 22 6.152 -14.283 -10.557 1.00 25.00 C ATOM 327 CG ASP A 22 6.323 -14.496 -9.065 1.00 25.00 C ATOM 328 OD1 ASP A 22 6.952 -15.507 -8.681 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.828 -13.668 -8.272 1.00 25.00 O ATOM 0 H ASP A 22 4.565 -16.162 -10.374 1.00 25.00 H new ATOM 0 HA ASP A 22 4.220 -13.294 -10.491 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.606 -15.116 -11.094 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.688 -13.382 -10.855 1.00 25.00 H new ATOM 334 N GLU A 23 4.258 -15.082 -13.149 1.00 25.00 N ATOM 335 CA GLU A 23 4.301 -15.176 -14.600 1.00 25.00 C ATOM 336 C GLU A 23 2.980 -14.778 -15.259 1.00 25.00 C ATOM 337 O GLU A 23 1.892 -15.059 -14.747 1.00 25.00 O ATOM 338 CB GLU A 23 4.657 -16.618 -14.957 1.00 25.00 C ATOM 339 CG GLU A 23 5.030 -16.850 -16.393 1.00 25.00 C ATOM 340 CD GLU A 23 5.405 -18.297 -16.642 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.045 -19.172 -15.818 1.00 25.00 O ATOM 342 OE2 GLU A 23 6.041 -18.567 -17.682 1.00 25.00 O ATOM 0 H GLU A 23 3.914 -15.927 -12.693 1.00 25.00 H new ATOM 0 HA GLU A 23 5.047 -14.476 -14.976 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.488 -16.936 -14.327 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.808 -17.256 -14.712 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.195 -16.574 -17.036 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.866 -16.205 -16.662 1.00 25.00 H new ATOM 349 N LEU A 24 3.064 -14.123 -16.406 1.00 25.00 N ATOM 350 CA LEU A 24 1.868 -13.717 -17.127 1.00 25.00 C ATOM 351 C LEU A 24 1.372 -14.851 -18.021 1.00 25.00 C ATOM 352 O LEU A 24 2.150 -15.491 -18.720 1.00 25.00 O ATOM 353 CB LEU A 24 2.164 -12.489 -17.989 1.00 25.00 C ATOM 354 CG LEU A 24 1.326 -11.240 -17.687 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.816 -10.114 -18.575 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.174 -11.465 -17.915 1.00 25.00 C ATOM 0 H LEU A 24 3.942 -13.862 -16.856 1.00 25.00 H new ATOM 0 HA LEU A 24 1.096 -13.473 -16.397 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.217 -12.233 -17.873 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.015 -12.759 -19.035 1.00 25.00 H new ATOM 0 HG LEU A 24 1.449 -10.993 -16.632 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.233 -9.214 -18.377 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.868 -9.918 -18.367 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.700 -10.399 -19.621 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.718 -10.549 -17.686 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.347 -11.739 -18.956 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.524 -12.267 -17.265 1.00 25.00 H new ATOM 368 N SER A 25 0.067 -15.060 -18.040 1.00 25.00 N ATOM 369 CA SER A 25 -0.538 -16.007 -18.974 1.00 25.00 C ATOM 370 C SER A 25 -0.770 -15.270 -20.296 1.00 25.00 C ATOM 371 O SER A 25 -1.516 -14.293 -20.339 1.00 25.00 O ATOM 372 CB SER A 25 -1.866 -16.526 -18.427 1.00 25.00 C ATOM 373 OG SER A 25 -1.664 -17.228 -17.218 1.00 25.00 O ATOM 0 H SER A 25 -0.596 -14.591 -17.423 1.00 25.00 H new ATOM 0 HA SER A 25 0.120 -16.863 -19.119 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.548 -15.692 -18.260 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.337 -17.181 -19.160 1.00 25.00 H new ATOM 0 HG SER A 25 -2.525 -17.552 -16.880 1.00 25.00 H new ATOM 379 N PHE A 26 -0.119 -15.718 -21.357 1.00 25.00 N ATOM 380 CA PHE A 26 -0.225 -15.076 -22.669 1.00 25.00 C ATOM 381 C PHE A 26 -0.108 -16.148 -23.744 1.00 25.00 C ATOM 382 O PHE A 26 0.352 -17.251 -23.466 1.00 25.00 O ATOM 383 CB PHE A 26 0.900 -14.049 -22.858 1.00 25.00 C ATOM 384 CG PHE A 26 2.279 -14.660 -22.899 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.842 -15.096 -24.119 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.022 -14.816 -21.718 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.124 -15.687 -24.155 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.298 -15.412 -21.738 1.00 25.00 C ATOM 389 CZ PHE A 26 4.853 -15.848 -22.958 1.00 25.00 C ATOM 0 H PHE A 26 0.496 -16.532 -21.340 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.183 -14.562 -22.742 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.728 -13.501 -23.784 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.858 -13.323 -22.046 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.285 -14.976 -25.036 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.609 -14.474 -20.780 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.544 -16.014 -25.094 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.851 -15.535 -20.819 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.832 -16.303 -22.976 1.00 25.00 H new ATOM 399 N ARG A 27 -0.485 -15.827 -24.974 1.00 25.00 N ATOM 400 CA ARG A 27 -0.352 -16.786 -26.069 1.00 25.00 C ATOM 401 C ARG A 27 0.184 -16.138 -27.328 1.00 25.00 C ATOM 402 O ARG A 27 0.174 -14.924 -27.457 1.00 25.00 O ATOM 403 CB ARG A 27 -1.685 -17.483 -26.338 1.00 25.00 C ATOM 404 CG ARG A 27 -2.769 -16.598 -26.910 1.00 25.00 C ATOM 405 CD ARG A 27 -4.052 -17.399 -27.041 1.00 25.00 C ATOM 406 NE ARG A 27 -5.114 -16.634 -27.720 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.935 -15.766 -27.135 1.00 25.00 C ATOM 408 NH1 ARG A 27 -5.880 -15.498 -25.852 1.00 25.00 N ATOM 409 NH2 ARG A 27 -6.828 -15.149 -27.858 1.00 25.00 N ATOM 0 H ARG A 27 -0.880 -14.925 -25.239 1.00 25.00 H new ATOM 0 HA ARG A 27 0.376 -17.536 -25.760 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -1.512 -18.310 -27.027 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.046 -17.915 -25.405 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.929 -15.735 -26.263 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.465 -16.214 -27.884 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -3.852 -18.315 -27.598 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.396 -17.697 -26.051 1.00 25.00 H new ATOM 0 HE ARG A 27 -5.229 -16.783 -28.723 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -5.189 -15.962 -25.263 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -6.529 -14.825 -25.443 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.891 -15.335 -28.859 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -7.464 -14.481 -27.422 1.00 25.00 H new ATOM 423 N LYS A 28 0.646 -16.958 -28.260 1.00 25.00 N ATOM 424 CA LYS A 28 1.182 -16.463 -29.528 1.00 25.00 C ATOM 425 C LYS A 28 0.120 -15.680 -30.281 1.00 25.00 C ATOM 426 O LYS A 28 -1.044 -16.071 -30.330 1.00 25.00 O ATOM 427 CB LYS A 28 1.728 -17.617 -30.383 1.00 25.00 C ATOM 428 CG LYS A 28 0.747 -18.764 -30.663 1.00 25.00 C ATOM 429 CD LYS A 28 1.519 -20.051 -30.938 1.00 25.00 C ATOM 430 CE LYS A 28 0.587 -21.272 -30.914 1.00 25.00 C ATOM 431 NZ LYS A 28 1.347 -22.552 -30.657 1.00 25.00 N ATOM 0 H LYS A 28 0.662 -17.973 -28.165 1.00 25.00 H new ATOM 0 HA LYS A 28 2.013 -15.791 -29.311 1.00 25.00 H new ATOM 0 HB2 LYS A 28 2.063 -17.210 -31.337 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.606 -18.029 -29.886 1.00 25.00 H new ATOM 0 HG2 LYS A 28 0.083 -18.903 -29.810 1.00 25.00 H new ATOM 0 HG3 LYS A 28 0.119 -18.516 -31.519 1.00 25.00 H new ATOM 0 HD2 LYS A 28 2.010 -19.984 -31.909 1.00 25.00 H new ATOM 0 HD3 LYS A 28 2.304 -20.174 -30.192 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -0.169 -21.137 -30.141 1.00 25.00 H new ATOM 0 HE3 LYS A 28 0.061 -21.346 -31.866 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 0.682 -23.351 -30.631 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 2.040 -22.703 -31.417 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 1.843 -22.484 -29.745 1.00 25.00 H new ATOM 445 N GLY A 29 0.538 -14.553 -30.835 1.00 25.00 N ATOM 446 CA GLY A 29 -0.365 -13.674 -31.556 1.00 25.00 C ATOM 447 C GLY A 29 -0.917 -12.547 -30.701 1.00 25.00 C ATOM 448 O GLY A 29 -1.366 -11.541 -31.240 1.00 25.00 O ATOM 0 H GLY A 29 1.503 -14.225 -30.798 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.160 -13.248 -32.411 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.194 -14.261 -31.951 1.00 25.00 H new ATOM 452 N ASP A 30 -0.861 -12.702 -29.385 1.00 25.00 N ATOM 453 CA ASP A 30 -1.390 -11.698 -28.458 1.00 25.00 C ATOM 454 C ASP A 30 -0.421 -10.519 -28.338 1.00 25.00 C ATOM 455 O ASP A 30 0.775 -10.656 -28.634 1.00 25.00 O ATOM 456 CB ASP A 30 -1.624 -12.338 -27.085 1.00 25.00 C ATOM 457 CG ASP A 30 -2.813 -11.751 -26.361 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.277 -10.655 -26.739 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.333 -12.436 -25.449 1.00 25.00 O ATOM 0 H ASP A 30 -0.453 -13.518 -28.928 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.338 -11.323 -28.843 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.773 -13.410 -27.210 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.732 -12.210 -26.472 1.00 25.00 H new ATOM 464 N ILE A 31 -0.942 -9.364 -27.942 1.00 25.00 N ATOM 465 CA ILE A 31 -0.181 -8.112 -27.892 1.00 25.00 C ATOM 466 C ILE A 31 -0.066 -7.653 -26.451 1.00 25.00 C ATOM 467 O ILE A 31 -1.064 -7.585 -25.750 1.00 25.00 O ATOM 468 CB ILE A 31 -0.912 -6.975 -28.694 1.00 25.00 C ATOM 469 CG1 ILE A 31 -1.333 -7.460 -30.102 1.00 25.00 C ATOM 470 CG2 ILE A 31 -0.015 -5.697 -28.778 1.00 25.00 C ATOM 471 CD1 ILE A 31 -0.196 -7.863 -31.033 1.00 25.00 C ATOM 0 H ILE A 31 -1.912 -9.264 -27.643 1.00 25.00 H new ATOM 0 HA ILE A 31 0.800 -8.298 -28.330 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.823 -6.714 -28.155 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -2.002 -8.313 -29.987 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.907 -6.667 -30.582 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.538 -4.921 -29.337 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.200 -5.337 -27.772 1.00 25.00 H new ATOM 0 HG23 ILE A 31 0.919 -5.941 -29.284 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.606 -8.185 -31.990 1.00 25.00 H new ATOM 0 HD12 ILE A 31 0.465 -7.011 -31.190 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.368 -8.682 -30.586 1.00 25.00 H new ATOM 483 N MET A 32 1.134 -7.322 -26.004 1.00 25.00 N ATOM 484 CA MET A 32 1.341 -6.872 -24.628 1.00 25.00 C ATOM 485 C MET A 32 2.321 -5.713 -24.594 1.00 25.00 C ATOM 486 O MET A 32 3.191 -5.588 -25.468 1.00 25.00 O ATOM 487 CB MET A 32 1.862 -8.036 -23.780 1.00 25.00 C ATOM 488 CG MET A 32 3.232 -8.563 -24.218 1.00 25.00 C ATOM 489 SD MET A 32 3.601 -10.132 -23.434 1.00 25.00 S ATOM 490 CE MET A 32 2.609 -11.240 -24.424 1.00 25.00 C ATOM 0 H MET A 32 1.982 -7.355 -26.570 1.00 25.00 H new ATOM 0 HA MET A 32 0.391 -6.530 -24.218 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.923 -7.715 -22.740 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.141 -8.852 -23.820 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.250 -8.681 -25.301 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.003 -7.836 -23.964 1.00 25.00 H new ATOM 0 HE1 MET A 32 3.073 -12.226 -24.442 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.610 -11.317 -23.994 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.537 -10.854 -25.441 1.00 25.00 H new ATOM 500 N THR A 33 2.178 -4.861 -23.593 1.00 25.00 N ATOM 501 CA THR A 33 3.088 -3.735 -23.407 1.00 25.00 C ATOM 502 C THR A 33 4.257 -4.243 -22.579 1.00 25.00 C ATOM 503 O THR A 33 4.062 -5.077 -21.710 1.00 25.00 O ATOM 504 CB THR A 33 2.391 -2.599 -22.635 1.00 25.00 C ATOM 505 OG1 THR A 33 1.017 -2.542 -23.022 1.00 25.00 O ATOM 506 CG2 THR A 33 3.029 -1.250 -22.938 1.00 25.00 C ATOM 0 H THR A 33 1.439 -4.925 -22.893 1.00 25.00 H new ATOM 0 HA THR A 33 3.411 -3.348 -24.373 1.00 25.00 H new ATOM 0 HB THR A 33 2.490 -2.806 -21.569 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.569 -1.821 -22.532 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.514 -0.470 -22.378 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.080 -1.271 -22.649 1.00 25.00 H new ATOM 0 HG23 THR A 33 2.951 -1.042 -24.005 1.00 25.00 H new ATOM 514 N VAL A 34 5.449 -3.730 -22.826 1.00 25.00 N ATOM 515 CA VAL A 34 6.629 -4.077 -22.025 1.00 25.00 C ATOM 516 C VAL A 34 7.021 -2.823 -21.249 1.00 25.00 C ATOM 517 O VAL A 34 7.276 -1.762 -21.830 1.00 25.00 O ATOM 518 CB VAL A 34 7.819 -4.558 -22.908 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.067 -4.797 -22.050 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.463 -5.857 -23.665 1.00 25.00 C ATOM 0 H VAL A 34 5.635 -3.067 -23.578 1.00 25.00 H new ATOM 0 HA VAL A 34 6.389 -4.905 -21.358 1.00 25.00 H new ATOM 0 HB VAL A 34 8.025 -3.772 -23.635 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.887 -5.132 -22.685 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.350 -3.869 -21.553 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.853 -5.560 -21.301 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.313 -6.168 -24.273 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.223 -6.642 -22.948 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.602 -5.678 -24.309 1.00 25.00 H new ATOM 530 N LEU A 35 7.031 -2.939 -19.928 1.00 25.00 N ATOM 531 CA LEU A 35 7.339 -1.810 -19.054 1.00 25.00 C ATOM 532 C LEU A 35 8.842 -1.675 -18.877 1.00 25.00 C ATOM 533 O LEU A 35 9.407 -0.593 -19.036 1.00 25.00 O ATOM 534 CB LEU A 35 6.687 -2.027 -17.681 1.00 25.00 C ATOM 535 CG LEU A 35 5.149 -2.026 -17.654 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.665 -2.434 -16.267 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.575 -0.649 -18.018 1.00 25.00 C ATOM 0 H LEU A 35 6.828 -3.808 -19.434 1.00 25.00 H new ATOM 0 HA LEU A 35 6.949 -0.900 -19.509 1.00 25.00 H new ATOM 0 HB2 LEU A 35 7.036 -2.979 -17.282 1.00 25.00 H new ATOM 0 HB3 LEU A 35 7.042 -1.249 -17.006 1.00 25.00 H new ATOM 0 HG LEU A 35 4.798 -2.740 -18.399 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.575 -2.433 -16.247 1.00 25.00 H new ATOM 0 HD12 LEU A 35 5.032 -3.433 -16.033 1.00 25.00 H new ATOM 0 HD13 LEU A 35 5.042 -1.727 -15.528 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.486 -0.689 -17.988 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.931 0.094 -17.304 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.900 -0.373 -19.021 1.00 25.00 H new ATOM 549 N GLU A 36 9.483 -2.786 -18.551 1.00 25.00 N ATOM 550 CA GLU A 36 10.919 -2.836 -18.290 1.00 25.00 C ATOM 551 C GLU A 36 11.415 -4.238 -18.623 1.00 25.00 C ATOM 552 O GLU A 36 10.611 -5.128 -18.905 1.00 25.00 O ATOM 553 CB GLU A 36 11.214 -2.473 -16.827 1.00 25.00 C ATOM 554 CG GLU A 36 10.489 -3.330 -15.807 1.00 25.00 C ATOM 555 CD GLU A 36 10.757 -2.869 -14.391 1.00 25.00 C ATOM 556 OE1 GLU A 36 9.847 -2.257 -13.780 1.00 25.00 O ATOM 557 OE2 GLU A 36 11.890 -3.067 -13.902 1.00 25.00 O ATOM 0 H GLU A 36 9.019 -3.690 -18.458 1.00 25.00 H new ATOM 0 HA GLU A 36 11.441 -2.109 -18.912 1.00 25.00 H new ATOM 0 HB2 GLU A 36 12.287 -2.556 -16.655 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.944 -1.430 -16.663 1.00 25.00 H new ATOM 0 HG2 GLU A 36 9.417 -3.298 -16.002 1.00 25.00 H new ATOM 0 HG3 GLU A 36 10.803 -4.368 -15.916 1.00 25.00 H new ATOM 564 N ARG A 37 12.726 -4.430 -18.629 1.00 25.00 N ATOM 565 CA ARG A 37 13.323 -5.704 -19.031 1.00 25.00 C ATOM 566 C ARG A 37 14.409 -6.127 -18.066 1.00 25.00 C ATOM 567 O ARG A 37 14.983 -5.283 -17.390 1.00 25.00 O ATOM 568 CB ARG A 37 13.863 -5.594 -20.462 1.00 25.00 C ATOM 569 CG ARG A 37 14.882 -4.486 -20.703 1.00 25.00 C ATOM 570 CD ARG A 37 15.088 -4.318 -22.207 1.00 25.00 C ATOM 571 NE ARG A 37 15.956 -3.172 -22.533 1.00 25.00 N ATOM 572 CZ ARG A 37 17.270 -3.232 -22.726 1.00 25.00 C ATOM 573 NH1 ARG A 37 17.953 -4.348 -22.623 1.00 25.00 N ATOM 574 NH2 ARG A 37 17.911 -2.137 -23.033 1.00 25.00 N ATOM 0 H ARG A 37 13.404 -3.717 -18.359 1.00 25.00 H new ATOM 0 HA ARG A 37 12.553 -6.475 -19.007 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.319 -6.546 -20.732 1.00 25.00 H new ATOM 0 HB3 ARG A 37 13.021 -5.441 -21.137 1.00 25.00 H new ATOM 0 HG2 ARG A 37 14.533 -3.551 -20.264 1.00 25.00 H new ATOM 0 HG3 ARG A 37 15.827 -4.732 -20.219 1.00 25.00 H new ATOM 0 HD2 ARG A 37 15.526 -5.229 -22.615 1.00 25.00 H new ATOM 0 HD3 ARG A 37 14.120 -4.186 -22.691 1.00 25.00 H new ATOM 0 HE ARG A 37 15.512 -2.258 -22.617 1.00 25.00 H new ATOM 0 HH11 ARG A 37 17.476 -5.218 -22.386 1.00 25.00 H new ATOM 0 HH12 ARG A 37 18.961 -4.345 -22.780 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.404 -1.257 -23.121 1.00 25.00 H new ATOM 0 HH22 ARG A 37 18.919 -2.162 -23.185 1.00 25.00 H new ATOM 588 N ASP A 38 14.625 -7.439 -17.998 1.00 25.00 N ATOM 589 CA ASP A 38 15.597 -8.077 -17.093 1.00 25.00 C ATOM 590 C ASP A 38 15.194 -7.737 -15.661 1.00 25.00 C ATOM 591 O ASP A 38 16.001 -7.435 -14.788 1.00 25.00 O ATOM 592 CB ASP A 38 17.023 -7.663 -17.467 1.00 25.00 C ATOM 593 CG ASP A 38 17.289 -7.823 -18.958 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.745 -6.845 -19.601 1.00 25.00 O ATOM 595 OD2 ASP A 38 16.916 -8.887 -19.521 1.00 25.00 O ATOM 0 H ASP A 38 14.122 -8.108 -18.580 1.00 25.00 H new ATOM 0 HA ASP A 38 15.588 -9.163 -17.187 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.187 -6.625 -17.179 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.735 -8.266 -16.904 1.00 25.00 H new ATOM 600 N THR A 39 13.884 -7.746 -15.471 1.00 25.00 N ATOM 601 CA THR A 39 13.227 -7.201 -14.283 1.00 25.00 C ATOM 602 C THR A 39 13.446 -8.008 -13.002 1.00 25.00 C ATOM 603 O THR A 39 13.275 -7.499 -11.903 1.00 25.00 O ATOM 604 CB THR A 39 11.694 -7.086 -14.581 1.00 25.00 C ATOM 605 OG1 THR A 39 11.039 -6.341 -13.551 1.00 25.00 O ATOM 606 CG2 THR A 39 11.031 -8.476 -14.685 1.00 25.00 C ATOM 0 H THR A 39 13.231 -8.139 -16.149 1.00 25.00 H new ATOM 0 HA THR A 39 13.681 -6.229 -14.089 1.00 25.00 H new ATOM 0 HB THR A 39 11.590 -6.572 -15.537 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.115 -6.653 -13.459 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.968 -8.357 -14.892 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.497 -9.042 -15.492 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.160 -9.012 -13.745 1.00 25.00 H new ATOM 614 N GLN A 40 13.848 -9.262 -13.149 1.00 25.00 N ATOM 615 CA GLN A 40 14.047 -10.145 -11.999 1.00 25.00 C ATOM 616 C GLN A 40 15.534 -10.443 -11.834 1.00 25.00 C ATOM 617 O GLN A 40 15.933 -11.297 -11.050 1.00 25.00 O ATOM 618 CB GLN A 40 13.247 -11.436 -12.223 1.00 25.00 C ATOM 619 CG GLN A 40 12.876 -12.190 -10.942 1.00 25.00 C ATOM 620 CD GLN A 40 12.075 -13.441 -11.221 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.301 -13.482 -12.153 1.00 25.00 O ATOM 622 NE2 GLN A 40 12.276 -14.462 -10.432 1.00 25.00 N ATOM 0 H GLN A 40 14.044 -9.695 -14.052 1.00 25.00 H new ATOM 0 HA GLN A 40 13.695 -9.665 -11.086 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.332 -11.191 -12.762 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.827 -12.100 -12.864 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.786 -12.457 -10.404 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.302 -11.532 -10.290 1.00 25.00 H new ATOM 0 HE21 GLN A 40 12.936 -14.386 -9.658 1.00 25.00 H new ATOM 0 HE22 GLN A 40 11.773 -15.335 -10.589 1.00 25.00 H new ATOM 631 N GLY A 41 16.349 -9.771 -12.638 1.00 25.00 N ATOM 632 CA GLY A 41 17.776 -10.047 -12.657 1.00 25.00 C ATOM 633 C GLY A 41 18.067 -11.228 -13.565 1.00 25.00 C ATOM 634 O GLY A 41 19.218 -11.585 -13.808 1.00 25.00 O ATOM 0 H GLY A 41 16.048 -9.037 -13.280 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.320 -9.168 -13.005 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.127 -10.260 -11.647 1.00 25.00 H new ATOM 638 N LEU A 42 17.000 -11.826 -14.079 1.00 25.00 N ATOM 639 CA LEU A 42 17.098 -12.942 -15.004 1.00 25.00 C ATOM 640 C LEU A 42 17.187 -12.362 -16.401 1.00 25.00 C ATOM 641 O LEU A 42 16.352 -11.546 -16.794 1.00 25.00 O ATOM 642 CB LEU A 42 15.863 -13.845 -14.907 1.00 25.00 C ATOM 643 CG LEU A 42 15.602 -14.545 -13.563 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.260 -15.259 -13.632 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.707 -15.547 -13.220 1.00 25.00 C ATOM 0 H LEU A 42 16.042 -11.549 -13.865 1.00 25.00 H new ATOM 0 HA LEU A 42 17.973 -13.546 -14.765 1.00 25.00 H new ATOM 0 HB2 LEU A 42 14.987 -13.244 -15.150 1.00 25.00 H new ATOM 0 HB3 LEU A 42 15.946 -14.613 -15.676 1.00 25.00 H new ATOM 0 HG LEU A 42 15.591 -13.789 -12.777 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.065 -15.759 -12.683 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.471 -14.533 -13.828 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.281 -15.997 -14.434 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.485 -16.020 -12.263 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.761 -16.309 -13.998 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.663 -15.027 -13.155 1.00 25.00 H new ATOM 657 N ASP A 43 18.204 -12.776 -17.137 1.00 25.00 N ATOM 658 CA ASP A 43 18.414 -12.292 -18.494 1.00 25.00 C ATOM 659 C ASP A 43 17.240 -12.689 -19.381 1.00 25.00 C ATOM 660 O ASP A 43 16.783 -13.839 -19.366 1.00 25.00 O ATOM 661 CB ASP A 43 19.714 -12.883 -19.059 1.00 25.00 C ATOM 662 CG ASP A 43 20.050 -12.351 -20.447 1.00 25.00 C ATOM 663 OD1 ASP A 43 20.901 -11.446 -20.544 1.00 25.00 O ATOM 664 OD2 ASP A 43 19.484 -12.857 -21.441 1.00 25.00 O ATOM 0 H ASP A 43 18.901 -13.449 -16.818 1.00 25.00 H new ATOM 0 HA ASP A 43 18.490 -11.205 -18.474 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.536 -12.657 -18.380 1.00 25.00 H new ATOM 0 HB3 ASP A 43 19.625 -13.969 -19.103 1.00 25.00 H new ATOM 669 N GLY A 44 16.734 -11.730 -20.140 1.00 25.00 N ATOM 670 CA GLY A 44 15.692 -12.012 -21.107 1.00 25.00 C ATOM 671 C GLY A 44 14.286 -12.069 -20.552 1.00 25.00 C ATOM 672 O GLY A 44 13.359 -12.310 -21.313 1.00 25.00 O ATOM 0 H GLY A 44 17.028 -10.754 -20.104 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.726 -11.249 -21.885 1.00 25.00 H new ATOM 0 HA3 GLY A 44 15.914 -12.966 -21.586 1.00 25.00 H new ATOM 676 N TRP A 45 14.091 -11.833 -19.262 1.00 25.00 N ATOM 677 CA TRP A 45 12.744 -11.857 -18.679 1.00 25.00 C ATOM 678 C TRP A 45 12.229 -10.443 -18.501 1.00 25.00 C ATOM 679 O TRP A 45 12.818 -9.642 -17.784 1.00 25.00 O ATOM 680 CB TRP A 45 12.760 -12.601 -17.354 1.00 25.00 C ATOM 681 CG TRP A 45 12.831 -14.069 -17.574 1.00 25.00 C ATOM 682 CD1 TRP A 45 13.941 -14.830 -17.745 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.720 -14.984 -17.684 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.628 -16.142 -17.935 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.267 -16.282 -17.907 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.319 -14.838 -17.622 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.454 -17.426 -18.060 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.498 -15.983 -17.768 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.078 -17.268 -17.990 1.00 25.00 C ATOM 0 H TRP A 45 14.837 -11.624 -18.599 1.00 25.00 H new ATOM 0 HA TRP A 45 12.071 -12.383 -19.356 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.614 -12.276 -16.760 1.00 25.00 H new ATOM 0 HB3 TRP A 45 11.864 -12.357 -16.784 1.00 25.00 H new ATOM 0 HD1 TRP A 45 14.949 -14.443 -17.732 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.299 -16.897 -18.075 1.00 25.00 H new ATOM 0 HE3 TRP A 45 9.877 -13.865 -17.465 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 11.892 -18.399 -18.227 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.424 -15.883 -17.711 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.436 -18.129 -18.105 1.00 25.00 H new ATOM 700 N TRP A 46 11.171 -10.103 -19.219 1.00 25.00 N ATOM 701 CA TRP A 46 10.688 -8.734 -19.265 1.00 25.00 C ATOM 702 C TRP A 46 9.388 -8.608 -18.496 1.00 25.00 C ATOM 703 O TRP A 46 8.583 -9.537 -18.483 1.00 25.00 O ATOM 704 CB TRP A 46 10.462 -8.334 -20.721 1.00 25.00 C ATOM 705 CG TRP A 46 11.714 -8.383 -21.593 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.979 -8.761 -21.240 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.808 -8.040 -22.986 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.846 -8.668 -22.285 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.166 -8.223 -23.382 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.874 -7.607 -23.947 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.609 -7.968 -24.696 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.307 -7.359 -25.267 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.677 -7.537 -25.629 1.00 25.00 C ATOM 0 H TRP A 46 10.629 -10.760 -19.780 1.00 25.00 H new ATOM 0 HA TRP A 46 11.428 -8.077 -18.809 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.708 -8.992 -21.153 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.055 -7.323 -20.748 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.257 -9.094 -20.251 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.840 -8.894 -22.254 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.838 -7.466 -23.677 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.645 -8.104 -24.969 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.596 -7.031 -26.011 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.992 -7.334 -26.642 1.00 25.00 H new ATOM 724 N LEU A 47 9.171 -7.459 -17.874 1.00 25.00 N ATOM 725 CA LEU A 47 7.926 -7.208 -17.161 1.00 25.00 C ATOM 726 C LEU A 47 6.940 -6.675 -18.179 1.00 25.00 C ATOM 727 O LEU A 47 7.107 -5.563 -18.700 1.00 25.00 O ATOM 728 CB LEU A 47 8.119 -6.180 -16.043 1.00 25.00 C ATOM 729 CG LEU A 47 6.876 -5.886 -15.190 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.422 -7.114 -14.401 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.193 -4.749 -14.229 1.00 25.00 C ATOM 0 H LEU A 47 9.838 -6.688 -17.848 1.00 25.00 H new ATOM 0 HA LEU A 47 7.570 -8.127 -16.695 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.914 -6.530 -15.385 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.462 -5.246 -16.488 1.00 25.00 H new ATOM 0 HG LEU A 47 6.062 -5.606 -15.859 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.540 -6.862 -13.811 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.178 -7.921 -15.092 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.223 -7.436 -13.736 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.316 -4.533 -13.619 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.022 -5.039 -13.583 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.469 -3.860 -14.796 1.00 25.00 H new ATOM 743 N CYS A 48 5.933 -7.468 -18.487 1.00 25.00 N ATOM 744 CA CYS A 48 4.936 -7.078 -19.460 1.00 25.00 C ATOM 745 C CYS A 48 3.597 -6.898 -18.780 1.00 25.00 C ATOM 746 O CYS A 48 3.382 -7.416 -17.690 1.00 25.00 O ATOM 747 CB CYS A 48 4.841 -8.143 -20.545 1.00 25.00 C ATOM 748 SG CYS A 48 6.448 -8.491 -21.275 1.00 25.00 S ATOM 0 H CYS A 48 5.785 -8.389 -18.075 1.00 25.00 H new ATOM 0 HA CYS A 48 5.224 -6.131 -19.917 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.427 -9.058 -20.122 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.152 -7.811 -21.322 1.00 25.00 H new ATOM 0 HG CYS A 48 7.274 -8.870 -20.345 1.00 25.00 H new ATOM 754 N SER A 49 2.698 -6.183 -19.438 1.00 25.00 N ATOM 755 CA SER A 49 1.345 -5.960 -18.939 1.00 25.00 C ATOM 756 C SER A 49 0.337 -6.444 -19.976 1.00 25.00 C ATOM 757 O SER A 49 0.456 -6.147 -21.171 1.00 25.00 O ATOM 758 CB SER A 49 1.133 -4.480 -18.638 1.00 25.00 C ATOM 759 OG SER A 49 2.137 -3.691 -19.257 1.00 25.00 O ATOM 0 H SER A 49 2.884 -5.738 -20.337 1.00 25.00 H new ATOM 0 HA SER A 49 1.202 -6.520 -18.015 1.00 25.00 H new ATOM 0 HB2 SER A 49 0.150 -4.169 -18.992 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.149 -4.317 -17.560 1.00 25.00 H new ATOM 0 HG SER A 49 1.982 -2.745 -19.053 1.00 25.00 H new ATOM 765 N LEU A 50 -0.630 -7.223 -19.509 1.00 25.00 N ATOM 766 CA LEU A 50 -1.655 -7.832 -20.356 1.00 25.00 C ATOM 767 C LEU A 50 -2.867 -8.182 -19.492 1.00 25.00 C ATOM 768 O LEU A 50 -2.710 -8.642 -18.361 1.00 25.00 O ATOM 769 CB LEU A 50 -1.097 -9.116 -20.999 1.00 25.00 C ATOM 770 CG LEU A 50 -2.033 -9.917 -21.925 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.409 -9.126 -23.163 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.350 -11.209 -22.334 1.00 25.00 C ATOM 0 H LEU A 50 -0.728 -7.454 -18.520 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.947 -7.134 -21.141 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.209 -8.846 -21.571 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.771 -9.778 -20.197 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.950 -10.132 -21.376 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -3.069 -9.724 -23.790 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.921 -8.210 -22.868 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.508 -8.874 -23.722 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -2.010 -11.778 -22.989 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.424 -10.980 -22.862 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.125 -11.799 -21.445 1.00 25.00 H new ATOM 784 N HIS A 51 -4.063 -7.969 -20.031 1.00 25.00 N ATOM 785 CA HIS A 51 -5.327 -8.340 -19.368 1.00 25.00 C ATOM 786 C HIS A 51 -5.514 -7.710 -17.972 1.00 25.00 C ATOM 787 O HIS A 51 -6.075 -8.322 -17.063 1.00 25.00 O ATOM 788 CB HIS A 51 -5.440 -9.872 -19.283 1.00 25.00 C ATOM 789 CG HIS A 51 -6.849 -10.374 -19.168 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.184 -11.652 -18.804 1.00 25.00 N ATOM 791 CD2 HIS A 51 -8.039 -9.750 -19.396 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.510 -11.754 -18.806 1.00 25.00 C ATOM 793 NE2 HIS A 51 -9.083 -10.624 -19.165 1.00 25.00 N ATOM 0 H HIS A 51 -4.193 -7.533 -20.944 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.128 -7.934 -19.985 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.980 -10.310 -20.169 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.869 -10.221 -18.422 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -8.149 -8.723 -19.711 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.050 -12.652 -18.545 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -10.081 -10.435 -19.253 1.00 25.00 H new ATOM 801 N GLY A 52 -5.033 -6.484 -17.806 1.00 25.00 N ATOM 802 CA GLY A 52 -5.181 -5.788 -16.535 1.00 25.00 C ATOM 803 C GLY A 52 -4.223 -6.257 -15.459 1.00 25.00 C ATOM 804 O GLY A 52 -4.322 -5.841 -14.312 1.00 25.00 O ATOM 0 H GLY A 52 -4.542 -5.956 -18.528 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.033 -4.720 -16.698 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.203 -5.918 -16.179 1.00 25.00 H new ATOM 808 N ARG A 53 -3.292 -7.133 -15.825 1.00 25.00 N ATOM 809 CA ARG A 53 -2.292 -7.660 -14.899 1.00 25.00 C ATOM 810 C ARG A 53 -0.930 -7.416 -15.499 1.00 25.00 C ATOM 811 O ARG A 53 -0.825 -7.100 -16.678 1.00 25.00 O ATOM 812 CB ARG A 53 -2.492 -9.165 -14.689 1.00 25.00 C ATOM 813 CG ARG A 53 -3.785 -9.525 -13.976 1.00 25.00 C ATOM 814 CD ARG A 53 -3.762 -10.983 -13.540 1.00 25.00 C ATOM 815 NE ARG A 53 -5.004 -11.358 -12.843 1.00 25.00 N ATOM 816 CZ ARG A 53 -5.192 -12.494 -12.173 1.00 25.00 C ATOM 817 NH1 ARG A 53 -4.253 -13.403 -12.064 1.00 25.00 N ATOM 818 NH2 ARG A 53 -6.348 -12.718 -11.605 1.00 25.00 N ATOM 0 H ARG A 53 -3.209 -7.499 -16.774 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.387 -7.164 -13.933 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.474 -9.662 -15.659 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.652 -9.556 -14.115 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.920 -8.881 -13.107 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.633 -9.350 -14.637 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -3.626 -11.622 -14.412 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -2.909 -11.154 -12.883 1.00 25.00 H new ATOM 0 HE ARG A 53 -5.780 -10.697 -12.876 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -3.343 -13.252 -12.500 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -4.432 -14.261 -11.543 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -7.094 -12.027 -11.678 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -6.504 -13.584 -11.089 1.00 25.00 H new ATOM 832 N GLN A 54 0.108 -7.592 -14.705 1.00 25.00 N ATOM 833 CA GLN A 54 1.467 -7.501 -15.195 1.00 25.00 C ATOM 834 C GLN A 54 2.222 -8.666 -14.574 1.00 25.00 C ATOM 835 O GLN A 54 1.841 -9.133 -13.501 1.00 25.00 O ATOM 836 CB GLN A 54 2.101 -6.142 -14.849 1.00 25.00 C ATOM 837 CG GLN A 54 2.254 -5.861 -13.356 1.00 25.00 C ATOM 838 CD GLN A 54 2.759 -4.458 -13.089 1.00 25.00 C ATOM 839 OE1 GLN A 54 2.181 -3.485 -13.543 1.00 25.00 O ATOM 840 NE2 GLN A 54 3.831 -4.350 -12.346 1.00 25.00 N ATOM 0 H GLN A 54 0.033 -7.801 -13.709 1.00 25.00 H new ATOM 0 HA GLN A 54 1.501 -7.562 -16.283 1.00 25.00 H new ATOM 0 HB2 GLN A 54 3.084 -6.088 -15.316 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.494 -5.352 -15.291 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.293 -6.000 -12.861 1.00 25.00 H new ATOM 0 HG3 GLN A 54 2.944 -6.583 -12.920 1.00 25.00 H new ATOM 0 HE21 GLN A 54 4.287 -5.187 -11.984 1.00 25.00 H new ATOM 0 HE22 GLN A 54 4.210 -3.428 -12.129 1.00 25.00 H new ATOM 849 N GLY A 55 3.230 -9.166 -15.269 1.00 25.00 N ATOM 850 CA GLY A 55 3.972 -10.324 -14.799 1.00 25.00 C ATOM 851 C GLY A 55 5.167 -10.559 -15.694 1.00 25.00 C ATOM 852 O GLY A 55 5.340 -9.852 -16.698 1.00 25.00 O ATOM 0 H GLY A 55 3.553 -8.789 -16.160 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.300 -10.166 -13.772 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.329 -11.204 -14.796 1.00 25.00 H new ATOM 856 N ILE A 56 6.009 -11.515 -15.333 1.00 25.00 N ATOM 857 CA ILE A 56 7.221 -11.791 -16.102 1.00 25.00 C ATOM 858 C ILE A 56 6.884 -12.591 -17.361 1.00 25.00 C ATOM 859 O ILE A 56 5.955 -13.406 -17.375 1.00 25.00 O ATOM 860 CB ILE A 56 8.314 -12.527 -15.243 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.871 -13.960 -14.875 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.621 -11.704 -13.966 1.00 25.00 C ATOM 863 CD1 ILE A 56 8.941 -14.804 -14.178 1.00 25.00 C ATOM 0 H ILE A 56 5.880 -12.113 -14.517 1.00 25.00 H new ATOM 0 HA ILE A 56 7.645 -10.832 -16.400 1.00 25.00 H new ATOM 0 HB ILE A 56 9.222 -12.609 -15.841 1.00 25.00 H new ATOM 0 HG12 ILE A 56 6.997 -13.900 -14.227 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.559 -14.473 -15.784 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.379 -12.219 -13.375 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.989 -10.718 -14.249 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.711 -11.596 -13.375 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.539 -15.793 -13.959 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.809 -14.902 -14.830 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.238 -14.319 -13.248 1.00 25.00 H new ATOM 875 N VAL A 57 7.616 -12.306 -18.428 1.00 25.00 N ATOM 876 CA VAL A 57 7.424 -12.947 -19.730 1.00 25.00 C ATOM 877 C VAL A 57 8.803 -13.114 -20.375 1.00 25.00 C ATOM 878 O VAL A 57 9.609 -12.176 -20.352 1.00 25.00 O ATOM 879 CB VAL A 57 6.562 -12.031 -20.661 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.513 -12.560 -22.086 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.138 -11.888 -20.122 1.00 25.00 C ATOM 0 H VAL A 57 8.368 -11.617 -18.419 1.00 25.00 H new ATOM 0 HA VAL A 57 6.920 -13.905 -19.597 1.00 25.00 H new ATOM 0 HB VAL A 57 7.043 -11.053 -20.673 1.00 25.00 H new ATOM 0 HG11 VAL A 57 5.905 -11.896 -22.700 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.523 -12.606 -22.492 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.075 -13.558 -22.089 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.560 -11.247 -20.787 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.669 -12.871 -20.067 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.169 -11.445 -19.127 1.00 25.00 H new ATOM 891 N PRO A 58 9.097 -14.283 -20.978 1.00 25.00 N ATOM 892 CA PRO A 58 10.382 -14.338 -21.682 1.00 25.00 C ATOM 893 C PRO A 58 10.378 -13.452 -22.944 1.00 25.00 C ATOM 894 O PRO A 58 9.689 -13.724 -23.929 1.00 25.00 O ATOM 895 CB PRO A 58 10.529 -15.828 -22.012 1.00 25.00 C ATOM 896 CG PRO A 58 9.125 -16.315 -22.146 1.00 25.00 C ATOM 897 CD PRO A 58 8.347 -15.550 -21.110 1.00 25.00 C ATOM 0 HA PRO A 58 11.215 -13.955 -21.093 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.092 -15.978 -22.933 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.061 -16.360 -21.223 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.737 -16.130 -23.148 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.062 -17.389 -21.973 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.319 -15.376 -21.428 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.301 -16.089 -20.164 1.00 25.00 H new ATOM 905 N GLY A 59 11.163 -12.386 -22.905 1.00 25.00 N ATOM 906 CA GLY A 59 11.209 -11.413 -23.984 1.00 25.00 C ATOM 907 C GLY A 59 11.790 -11.951 -25.270 1.00 25.00 C ATOM 908 O GLY A 59 11.443 -11.495 -26.350 1.00 25.00 O ATOM 0 H GLY A 59 11.785 -12.172 -22.125 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.199 -11.051 -24.177 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.799 -10.555 -23.661 1.00 25.00 H new ATOM 912 N ASN A 60 12.622 -12.981 -25.170 1.00 25.00 N ATOM 913 CA ASN A 60 13.184 -13.634 -26.361 1.00 25.00 C ATOM 914 C ASN A 60 12.111 -14.430 -27.130 1.00 25.00 C ATOM 915 O ASN A 60 12.382 -15.030 -28.166 1.00 25.00 O ATOM 916 CB ASN A 60 14.342 -14.555 -25.963 1.00 25.00 C ATOM 917 CG ASN A 60 15.220 -14.933 -27.145 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.466 -14.128 -28.027 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.698 -16.149 -27.154 1.00 25.00 N ATOM 0 H ASN A 60 12.925 -13.385 -24.284 1.00 25.00 H new ATOM 0 HA ASN A 60 13.558 -12.853 -27.023 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.951 -14.061 -25.206 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.941 -15.461 -25.508 1.00 25.00 H new ATOM 0 HD21 ASN A 60 16.301 -16.454 -27.918 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.469 -16.793 -26.397 1.00 25.00 H new ATOM 926 N ARG A 61 10.887 -14.421 -26.620 1.00 25.00 N ATOM 927 CA ARG A 61 9.755 -15.080 -27.286 1.00 25.00 C ATOM 928 C ARG A 61 8.736 -14.031 -27.732 1.00 25.00 C ATOM 929 O ARG A 61 7.610 -14.367 -28.119 1.00 25.00 O ATOM 930 CB ARG A 61 9.115 -16.101 -26.337 1.00 25.00 C ATOM 931 CG ARG A 61 10.066 -17.235 -25.976 1.00 25.00 C ATOM 932 CD ARG A 61 9.311 -18.446 -25.433 1.00 25.00 C ATOM 933 NE ARG A 61 10.230 -19.547 -25.091 1.00 25.00 N ATOM 934 CZ ARG A 61 10.719 -20.438 -25.950 1.00 25.00 C ATOM 935 NH1 ARG A 61 10.438 -20.415 -27.232 1.00 25.00 N ATOM 936 NH2 ARG A 61 11.514 -21.377 -25.504 1.00 25.00 N ATOM 0 H ARG A 61 10.644 -13.963 -25.741 1.00 25.00 H new ATOM 0 HA ARG A 61 10.110 -15.611 -28.169 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.795 -15.595 -25.426 1.00 25.00 H new ATOM 0 HB3 ARG A 61 8.221 -16.515 -26.803 1.00 25.00 H new ATOM 0 HG2 ARG A 61 10.638 -17.526 -26.857 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.782 -16.888 -25.232 1.00 25.00 H new ATOM 0 HD2 ARG A 61 8.744 -18.156 -24.548 1.00 25.00 H new ATOM 0 HD3 ARG A 61 8.590 -18.789 -26.175 1.00 25.00 H new ATOM 0 HE ARG A 61 10.515 -19.633 -24.115 1.00 25.00 H new ATOM 0 HH11 ARG A 61 9.822 -19.693 -27.606 1.00 25.00 H new ATOM 0 HH12 ARG A 61 10.836 -21.119 -27.854 1.00 25.00 H new ATOM 0 HH21 ARG A 61 11.749 -21.417 -24.512 1.00 25.00 H new ATOM 0 HH22 ARG A 61 11.898 -22.068 -26.148 1.00 25.00 H new ATOM 950 N LEU A 62 9.149 -12.770 -27.716 1.00 25.00 N ATOM 951 CA LEU A 62 8.303 -11.654 -28.142 1.00 25.00 C ATOM 952 C LEU A 62 8.942 -10.941 -29.331 1.00 25.00 C ATOM 953 O LEU A 62 10.156 -10.953 -29.488 1.00 25.00 O ATOM 954 CB LEU A 62 8.158 -10.630 -27.004 1.00 25.00 C ATOM 955 CG LEU A 62 7.577 -11.092 -25.656 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.544 -9.897 -24.690 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.181 -11.664 -25.826 1.00 25.00 C ATOM 0 H LEU A 62 10.080 -12.488 -27.408 1.00 25.00 H new ATOM 0 HA LEU A 62 7.327 -12.055 -28.415 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.145 -10.211 -26.811 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.532 -9.816 -27.371 1.00 25.00 H new ATOM 0 HG LEU A 62 8.211 -11.881 -25.251 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.134 -10.215 -23.732 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.556 -9.519 -24.544 1.00 25.00 H new ATOM 0 HD13 LEU A 62 6.919 -9.108 -25.108 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.797 -11.982 -24.856 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.524 -10.902 -26.244 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.218 -12.520 -26.500 1.00 25.00 H new ATOM 969 N LYS A 63 8.125 -10.275 -30.136 1.00 25.00 N ATOM 970 CA LYS A 63 8.625 -9.459 -31.245 1.00 25.00 C ATOM 971 C LYS A 63 8.159 -8.023 -31.090 1.00 25.00 C ATOM 972 O LYS A 63 6.959 -7.760 -31.108 1.00 25.00 O ATOM 973 CB LYS A 63 8.132 -10.023 -32.575 1.00 25.00 C ATOM 974 CG LYS A 63 8.698 -9.296 -33.784 1.00 25.00 C ATOM 975 CD LYS A 63 8.250 -9.943 -35.086 1.00 25.00 C ATOM 976 CE LYS A 63 8.878 -9.226 -36.278 1.00 25.00 C ATOM 977 NZ LYS A 63 8.489 -9.857 -37.589 1.00 25.00 N ATOM 0 H LYS A 63 7.109 -10.281 -30.045 1.00 25.00 H new ATOM 0 HA LYS A 63 9.715 -9.481 -31.231 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.400 -11.078 -32.636 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.044 -9.968 -32.604 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.378 -8.254 -33.766 1.00 25.00 H new ATOM 0 HG3 LYS A 63 9.787 -9.296 -33.733 1.00 25.00 H new ATOM 0 HD2 LYS A 63 8.535 -10.995 -35.094 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.163 -9.907 -35.163 1.00 25.00 H new ATOM 0 HE2 LYS A 63 8.571 -8.180 -36.274 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.963 -9.240 -36.178 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 8.938 -9.338 -38.371 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 8.805 -10.848 -37.605 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 7.455 -9.821 -37.698 1.00 25.00 H new ATOM 991 N ILE A 64 9.110 -7.113 -30.944 1.00 25.00 N ATOM 992 CA ILE A 64 8.830 -5.682 -30.767 1.00 25.00 C ATOM 993 C ILE A 64 7.949 -5.168 -31.908 1.00 25.00 C ATOM 994 O ILE A 64 8.215 -5.421 -33.092 1.00 25.00 O ATOM 995 CB ILE A 64 10.167 -4.871 -30.706 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.019 -5.308 -29.490 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.897 -3.353 -30.654 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.392 -5.044 -28.099 1.00 25.00 C ATOM 0 H ILE A 64 10.105 -7.340 -30.944 1.00 25.00 H new ATOM 0 HA ILE A 64 8.296 -5.545 -29.826 1.00 25.00 H new ATOM 0 HB ILE A 64 10.726 -5.085 -31.617 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.224 -6.375 -29.579 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.979 -4.793 -29.539 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.845 -2.816 -30.612 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.348 -3.050 -31.545 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.308 -3.118 -29.768 1.00 25.00 H new ATOM 0 HD11 ILE A 64 11.074 -5.389 -27.321 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.213 -3.976 -27.977 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.447 -5.582 -28.018 1.00 25.00 H new