USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=10 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= -0.069 K(o=-0.069,f=-1.6!) 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= 0.498 K(o=0.5,f=-0.35) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0686 USER MOD Single : A 25 SER OG : rot 32:sc= 0.936 USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0545) USER MOD Single : A 32 MET CE :methyl 154:sc= 0 (180deg=-0.776) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 48:sc= 1.27 USER MOD Single : A 40 GLN : amide:sc= 0.61 K(o=0.61,f=-0.085) USER MOD Single : A 48 CYS SG : rot 60:sc= -1.04 USER MOD Single : A 49 SER OG : rot 170:sc= -0.439 USER MOD Single : A 51 HIS : no HE2:sc= 0.163 K(o=0.16,f=-0.74) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 60 ASN : amide:sc= -0.0245 K(o=-0.025,f=-0.73) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.235 2.491 -20.135 1.00 25.00 N ATOM 81 CA LEU A 6 9.355 2.028 -21.531 1.00 25.00 C ATOM 82 C LEU A 6 8.118 2.271 -22.392 1.00 25.00 C ATOM 83 O LEU A 6 8.203 2.900 -23.435 1.00 25.00 O ATOM 84 CB LEU A 6 9.647 0.527 -21.550 1.00 25.00 C ATOM 85 CG LEU A 6 11.116 0.096 -21.575 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.914 0.561 -20.355 1.00 25.00 C ATOM 87 CD2 LEU A 6 11.192 -1.423 -21.697 1.00 25.00 C ATOM 0 HA LEU A 6 10.166 2.617 -21.959 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.180 0.082 -20.671 1.00 25.00 H new ATOM 0 HB3 LEU A 6 9.155 0.099 -22.424 1.00 25.00 H new ATOM 0 HG LEU A 6 11.573 0.579 -22.439 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.945 0.219 -20.443 1.00 25.00 H new ATOM 0 HD12 LEU A 6 11.896 1.650 -20.302 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.470 0.146 -19.450 1.00 25.00 H new ATOM 0 HD21 LEU A 6 12.236 -1.735 -21.715 1.00 25.00 H new ATOM 0 HD22 LEU A 6 10.691 -1.882 -20.845 1.00 25.00 H new ATOM 0 HD23 LEU A 6 10.703 -1.739 -22.618 1.00 25.00 H new ATOM 99 N ASN A 7 6.996 1.715 -21.966 1.00 25.00 N ATOM 100 CA ASN A 7 5.708 1.834 -22.671 1.00 25.00 C ATOM 101 C ASN A 7 5.731 1.395 -24.142 1.00 25.00 C ATOM 102 O ASN A 7 4.892 1.820 -24.937 1.00 25.00 O ATOM 103 CB ASN A 7 5.190 3.276 -22.566 1.00 25.00 C ATOM 104 CG ASN A 7 3.682 3.362 -22.579 1.00 25.00 C ATOM 105 OD1 ASN A 7 2.983 2.427 -22.207 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.167 4.501 -22.959 1.00 25.00 N ATOM 0 H ASN A 7 6.942 1.160 -21.112 1.00 25.00 H new ATOM 0 HA ASN A 7 5.036 1.137 -22.170 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.566 3.726 -21.647 1.00 25.00 H new ATOM 0 HB3 ASN A 7 5.589 3.861 -23.394 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.155 4.631 -22.951 1.00 25.00 H new ATOM 0 HD22 ASN A 7 3.777 5.260 -23.263 1.00 25.00 H new ATOM 113 N VAL A 8 6.669 0.528 -24.494 1.00 25.00 N ATOM 114 CA VAL A 8 6.731 -0.055 -25.831 1.00 25.00 C ATOM 115 C VAL A 8 5.888 -1.311 -25.742 1.00 25.00 C ATOM 116 O VAL A 8 5.440 -1.657 -24.665 1.00 25.00 O ATOM 117 CB VAL A 8 8.184 -0.376 -26.286 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.005 0.916 -26.397 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.873 -1.364 -25.323 1.00 25.00 C ATOM 0 H VAL A 8 7.406 0.208 -23.866 1.00 25.00 H new ATOM 0 HA VAL A 8 6.363 0.644 -26.581 1.00 25.00 H new ATOM 0 HB VAL A 8 8.128 -0.849 -27.266 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.019 0.676 -26.716 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.542 1.580 -27.127 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.038 1.411 -25.426 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.886 -1.565 -25.672 1.00 25.00 H new ATOM 0 HG22 VAL A 8 8.913 -0.930 -24.324 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.308 -2.296 -25.292 1.00 25.00 H new ATOM 129 N LEU A 9 5.661 -1.996 -26.843 1.00 25.00 N ATOM 130 CA LEU A 9 4.808 -3.178 -26.831 1.00 25.00 C ATOM 131 C LEU A 9 5.438 -4.277 -27.654 1.00 25.00 C ATOM 132 O LEU A 9 6.350 -4.024 -28.436 1.00 25.00 O ATOM 133 CB LEU A 9 3.409 -2.840 -27.363 1.00 25.00 C ATOM 134 CG LEU A 9 3.362 -2.027 -28.669 1.00 25.00 C ATOM 135 CD1 LEU A 9 2.217 -2.507 -29.548 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.186 -0.540 -28.363 1.00 25.00 C ATOM 0 H LEU A 9 6.050 -1.761 -27.756 1.00 25.00 H new ATOM 0 HA LEU A 9 4.705 -3.525 -25.803 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.866 -3.772 -27.519 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.874 -2.284 -26.593 1.00 25.00 H new ATOM 0 HG LEU A 9 4.304 -2.172 -29.199 1.00 25.00 H new ATOM 0 HD11 LEU A 9 2.195 -1.923 -30.468 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.360 -3.560 -29.789 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.273 -2.382 -29.017 1.00 25.00 H new ATOM 0 HD21 LEU A 9 3.155 0.022 -29.296 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.255 -0.389 -27.817 1.00 25.00 H new ATOM 0 HD23 LEU A 9 4.023 -0.192 -27.758 1.00 25.00 H new ATOM 148 N ALA A 10 4.976 -5.495 -27.441 1.00 25.00 N ATOM 149 CA ALA A 10 5.534 -6.653 -28.117 1.00 25.00 C ATOM 150 C ALA A 10 4.465 -7.699 -28.417 1.00 25.00 C ATOM 151 O ALA A 10 3.563 -7.927 -27.613 1.00 25.00 O ATOM 152 CB ALA A 10 6.637 -7.253 -27.265 1.00 25.00 C ATOM 0 H ALA A 10 4.211 -5.709 -26.801 1.00 25.00 H new ATOM 0 HA ALA A 10 5.946 -6.327 -29.072 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.056 -8.122 -27.772 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.420 -6.511 -27.109 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.228 -7.557 -26.302 1.00 25.00 H new ATOM 158 N LYS A 11 4.609 -8.359 -29.558 1.00 25.00 N ATOM 159 CA LYS A 11 3.718 -9.440 -29.972 1.00 25.00 C ATOM 160 C LYS A 11 4.326 -10.781 -29.598 1.00 25.00 C ATOM 161 O LYS A 11 5.515 -11.004 -29.822 1.00 25.00 O ATOM 162 CB LYS A 11 3.504 -9.378 -31.484 1.00 25.00 C ATOM 163 CG LYS A 11 2.508 -10.420 -32.035 1.00 25.00 C ATOM 164 CD LYS A 11 2.160 -10.147 -33.506 1.00 25.00 C ATOM 165 CE LYS A 11 3.344 -10.427 -34.435 1.00 25.00 C ATOM 166 NZ LYS A 11 2.979 -10.124 -35.862 1.00 25.00 N ATOM 0 H LYS A 11 5.351 -8.160 -30.228 1.00 25.00 H new ATOM 0 HA LYS A 11 2.759 -9.327 -29.466 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.150 -8.381 -31.747 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.465 -9.516 -31.980 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.936 -11.418 -31.941 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.597 -10.406 -31.436 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.314 -10.768 -33.800 1.00 25.00 H new ATOM 0 HD3 LYS A 11 1.848 -9.109 -33.618 1.00 25.00 H new ATOM 0 HE2 LYS A 11 4.199 -9.821 -34.136 1.00 25.00 H new ATOM 0 HE3 LYS A 11 3.646 -11.471 -34.345 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.794 -10.320 -36.478 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 2.177 -10.720 -36.149 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.713 -9.122 -35.947 1.00 25.00 H new ATOM 180 N ALA A 12 3.516 -11.667 -29.037 1.00 25.00 N ATOM 181 CA ALA A 12 3.973 -12.994 -28.650 1.00 25.00 C ATOM 182 C ALA A 12 4.161 -13.868 -29.893 1.00 25.00 C ATOM 183 O ALA A 12 3.287 -13.945 -30.761 1.00 25.00 O ATOM 184 CB ALA A 12 2.979 -13.618 -27.708 1.00 25.00 C ATOM 0 H ALA A 12 2.532 -11.489 -28.838 1.00 25.00 H new ATOM 0 HA ALA A 12 4.933 -12.911 -28.141 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.324 -14.611 -27.420 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.881 -12.996 -26.818 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.011 -13.699 -28.202 1.00 25.00 H new ATOM 190 N LEU A 13 5.310 -14.519 -29.974 1.00 25.00 N ATOM 191 CA LEU A 13 5.635 -15.403 -31.092 1.00 25.00 C ATOM 192 C LEU A 13 5.191 -16.831 -30.799 1.00 25.00 C ATOM 193 O LEU A 13 4.827 -17.582 -31.701 1.00 25.00 O ATOM 194 CB LEU A 13 7.150 -15.401 -31.301 1.00 25.00 C ATOM 195 CG LEU A 13 7.809 -14.071 -31.707 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.323 -14.204 -31.594 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.417 -13.680 -33.138 1.00 25.00 C ATOM 0 H LEU A 13 6.045 -14.453 -29.270 1.00 25.00 H new ATOM 0 HA LEU A 13 5.118 -15.044 -31.982 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.618 -15.740 -30.376 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.385 -16.140 -32.067 1.00 25.00 H new ATOM 0 HG LEU A 13 7.460 -13.286 -31.037 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.793 -13.263 -31.881 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.591 -14.445 -30.565 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.669 -14.999 -32.255 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.895 -12.737 -33.401 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.742 -14.457 -33.830 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.335 -13.568 -33.201 1.00 25.00 H new ATOM 209 N TYR A 14 5.210 -17.181 -29.521 1.00 25.00 N ATOM 210 CA TYR A 14 4.845 -18.513 -29.057 1.00 25.00 C ATOM 211 C TYR A 14 3.857 -18.311 -27.924 1.00 25.00 C ATOM 212 O TYR A 14 3.772 -17.214 -27.396 1.00 25.00 O ATOM 213 CB TYR A 14 6.088 -19.250 -28.555 1.00 25.00 C ATOM 214 CG TYR A 14 7.277 -19.116 -29.481 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.263 -18.139 -29.242 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.422 -19.949 -30.610 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.370 -17.980 -30.107 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.528 -19.792 -31.486 1.00 25.00 C ATOM 219 CZ TYR A 14 9.497 -18.805 -31.219 1.00 25.00 C ATOM 220 OH TYR A 14 10.565 -18.653 -32.070 1.00 25.00 O ATOM 0 H TYR A 14 5.481 -16.545 -28.771 1.00 25.00 H new ATOM 0 HA TYR A 14 4.410 -19.111 -29.857 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.357 -18.866 -27.571 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.850 -20.306 -28.431 1.00 25.00 H new ATOM 0 HD1 TYR A 14 8.171 -17.497 -28.379 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.685 -20.713 -30.810 1.00 25.00 H new ATOM 0 HE1 TYR A 14 10.113 -17.222 -29.905 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.626 -20.427 -32.354 1.00 25.00 H new ATOM 0 HH TYR A 14 10.502 -19.310 -32.795 1.00 25.00 H new ATOM 230 N ASP A 15 3.109 -19.339 -27.563 1.00 25.00 N ATOM 231 CA ASP A 15 2.153 -19.235 -26.469 1.00 25.00 C ATOM 232 C ASP A 15 2.760 -19.765 -25.185 1.00 25.00 C ATOM 233 O ASP A 15 3.769 -20.472 -25.214 1.00 25.00 O ATOM 234 CB ASP A 15 0.854 -19.981 -26.801 1.00 25.00 C ATOM 235 CG ASP A 15 1.056 -21.465 -27.004 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.768 -21.851 -27.959 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.372 -22.237 -26.299 1.00 25.00 O ATOM 0 H ASP A 15 3.143 -20.255 -28.010 1.00 25.00 H new ATOM 0 HA ASP A 15 1.909 -18.182 -26.329 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.137 -19.825 -25.995 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.417 -19.553 -27.703 1.00 25.00 H new ATOM 242 N ASN A 16 2.183 -19.375 -24.059 1.00 25.00 N ATOM 243 CA ASN A 16 2.699 -19.759 -22.754 1.00 25.00 C ATOM 244 C ASN A 16 1.597 -19.862 -21.699 1.00 25.00 C ATOM 245 O ASN A 16 0.669 -19.049 -21.669 1.00 25.00 O ATOM 246 CB ASN A 16 3.707 -18.718 -22.284 1.00 25.00 C ATOM 247 CG ASN A 16 4.573 -19.231 -21.176 1.00 25.00 C ATOM 248 OD1 ASN A 16 5.297 -20.196 -21.353 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.513 -18.595 -20.047 1.00 25.00 N ATOM 0 H ASN A 16 1.350 -18.788 -24.023 1.00 25.00 H new ATOM 0 HA ASN A 16 3.160 -20.740 -22.867 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.334 -18.417 -23.123 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.177 -17.828 -21.946 1.00 25.00 H new ATOM 0 HD21 ASN A 16 5.087 -18.898 -19.260 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.892 -17.792 -19.946 1.00 25.00 H new ATOM 256 N VAL A 17 1.749 -20.819 -20.797 1.00 25.00 N ATOM 257 CA VAL A 17 0.849 -20.968 -19.654 1.00 25.00 C ATOM 258 C VAL A 17 1.709 -20.647 -18.439 1.00 25.00 C ATOM 259 O VAL A 17 2.801 -21.182 -18.304 1.00 25.00 O ATOM 260 CB VAL A 17 0.290 -22.419 -19.558 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.593 -22.592 -18.315 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.521 -22.761 -20.833 1.00 25.00 C ATOM 0 H VAL A 17 2.495 -21.514 -20.832 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.019 -20.314 -19.736 1.00 25.00 H new ATOM 0 HB VAL A 17 1.135 -23.102 -19.473 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.969 -23.614 -18.275 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -0.006 -22.386 -17.420 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.433 -21.899 -18.366 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.908 -23.777 -20.757 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.352 -22.063 -20.934 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.126 -22.684 -21.707 1.00 25.00 H new ATOM 272 N ALA A 18 1.243 -19.724 -17.618 1.00 25.00 N ATOM 273 CA ALA A 18 1.983 -19.313 -16.440 1.00 25.00 C ATOM 274 C ALA A 18 1.770 -20.349 -15.339 1.00 25.00 C ATOM 275 O ALA A 18 0.628 -20.672 -15.007 1.00 25.00 O ATOM 276 CB ALA A 18 1.504 -17.951 -15.977 1.00 25.00 C ATOM 0 H ALA A 18 0.352 -19.244 -17.746 1.00 25.00 H new ATOM 0 HA ALA A 18 3.045 -19.243 -16.676 1.00 25.00 H new ATOM 0 HB1 ALA A 18 2.065 -17.650 -15.092 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.660 -17.221 -16.771 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.443 -18.002 -15.734 1.00 25.00 H new ATOM 282 N GLU A 19 2.862 -20.824 -14.766 1.00 25.00 N ATOM 283 CA GLU A 19 2.804 -21.784 -13.660 1.00 25.00 C ATOM 284 C GLU A 19 2.944 -21.020 -12.353 1.00 25.00 C ATOM 285 O GLU A 19 2.500 -21.466 -11.298 1.00 25.00 O ATOM 286 CB GLU A 19 3.947 -22.804 -13.781 1.00 25.00 C ATOM 287 CG GLU A 19 3.851 -23.714 -15.014 1.00 25.00 C ATOM 288 CD GLU A 19 2.772 -24.798 -14.883 1.00 25.00 C ATOM 289 OE1 GLU A 19 1.616 -24.558 -15.305 1.00 25.00 O ATOM 290 OE2 GLU A 19 3.095 -25.902 -14.380 1.00 25.00 O ATOM 0 H GLU A 19 3.808 -20.563 -15.045 1.00 25.00 H new ATOM 0 HA GLU A 19 1.855 -22.319 -13.689 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.896 -22.268 -13.812 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.961 -23.425 -12.885 1.00 25.00 H new ATOM 0 HG2 GLU A 19 3.639 -23.104 -15.892 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.817 -24.190 -15.182 1.00 25.00 H new ATOM 297 N SER A 20 3.559 -19.850 -12.430 1.00 25.00 N ATOM 298 CA SER A 20 3.759 -18.995 -11.267 1.00 25.00 C ATOM 299 C SER A 20 2.772 -17.837 -11.322 1.00 25.00 C ATOM 300 O SER A 20 2.478 -17.333 -12.399 1.00 25.00 O ATOM 301 CB SER A 20 5.183 -18.430 -11.295 1.00 25.00 C ATOM 302 OG SER A 20 5.429 -17.530 -10.220 1.00 25.00 O ATOM 0 H SER A 20 3.933 -19.466 -13.298 1.00 25.00 H new ATOM 0 HA SER A 20 3.605 -19.574 -10.357 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.898 -19.251 -11.249 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.349 -17.916 -12.242 1.00 25.00 H new ATOM 0 HG SER A 20 6.349 -17.196 -10.277 1.00 25.00 H new ATOM 308 N PRO A 21 2.299 -17.344 -10.160 1.00 25.00 N ATOM 309 CA PRO A 21 1.454 -16.145 -10.236 1.00 25.00 C ATOM 310 C PRO A 21 2.211 -14.877 -10.629 1.00 25.00 C ATOM 311 O PRO A 21 1.603 -13.870 -10.962 1.00 25.00 O ATOM 312 CB PRO A 21 0.912 -16.039 -8.819 1.00 25.00 C ATOM 313 CG PRO A 21 1.994 -16.589 -7.969 1.00 25.00 C ATOM 314 CD PRO A 21 2.510 -17.765 -8.758 1.00 25.00 C ATOM 0 HA PRO A 21 0.692 -16.234 -11.011 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.686 -15.006 -8.556 1.00 25.00 H new ATOM 0 HB3 PRO A 21 -0.012 -16.606 -8.703 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.777 -15.852 -7.792 1.00 25.00 H new ATOM 0 HG3 PRO A 21 1.619 -16.896 -6.993 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.562 -17.961 -8.549 1.00 25.00 H new ATOM 0 HD3 PRO A 21 1.963 -18.679 -8.524 1.00 25.00 H new ATOM 322 N ASP A 22 3.534 -14.935 -10.553 1.00 25.00 N ATOM 323 CA ASP A 22 4.404 -13.814 -10.936 1.00 25.00 C ATOM 324 C ASP A 22 4.610 -13.796 -12.454 1.00 25.00 C ATOM 325 O ASP A 22 4.974 -12.787 -13.046 1.00 25.00 O ATOM 326 CB ASP A 22 5.764 -14.013 -10.255 1.00 25.00 C ATOM 327 CG ASP A 22 6.691 -12.814 -10.412 1.00 25.00 C ATOM 328 OD1 ASP A 22 7.919 -13.044 -10.482 1.00 25.00 O ATOM 329 OD2 ASP A 22 6.223 -11.661 -10.360 1.00 25.00 O ATOM 0 H ASP A 22 4.041 -15.757 -10.225 1.00 25.00 H new ATOM 0 HA ASP A 22 3.946 -12.873 -10.630 1.00 25.00 H new ATOM 0 HB2 ASP A 22 5.608 -14.208 -9.194 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.247 -14.896 -10.673 1.00 25.00 H new ATOM 334 N GLU A 23 4.358 -14.937 -13.077 1.00 25.00 N ATOM 335 CA GLU A 23 4.531 -15.117 -14.509 1.00 25.00 C ATOM 336 C GLU A 23 3.227 -14.762 -15.231 1.00 25.00 C ATOM 337 O GLU A 23 2.130 -15.021 -14.732 1.00 25.00 O ATOM 338 CB GLU A 23 4.893 -16.583 -14.756 1.00 25.00 C ATOM 339 CG GLU A 23 5.293 -16.902 -16.166 1.00 25.00 C ATOM 340 CD GLU A 23 5.548 -18.391 -16.369 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.999 -18.760 -17.473 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.250 -19.196 -15.444 1.00 25.00 O ATOM 0 H GLU A 23 4.024 -15.773 -12.597 1.00 25.00 H new ATOM 0 HA GLU A 23 5.321 -14.468 -14.888 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.711 -16.858 -14.090 1.00 25.00 H new ATOM 0 HB3 GLU A 23 4.039 -17.204 -14.486 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.509 -16.573 -16.848 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.193 -16.343 -16.422 1.00 25.00 H new ATOM 349 N LEU A 24 3.340 -14.181 -16.412 1.00 25.00 N ATOM 350 CA LEU A 24 2.151 -13.818 -17.184 1.00 25.00 C ATOM 351 C LEU A 24 1.870 -14.863 -18.265 1.00 25.00 C ATOM 352 O LEU A 24 2.766 -15.277 -18.999 1.00 25.00 O ATOM 353 CB LEU A 24 2.363 -12.446 -17.815 1.00 25.00 C ATOM 354 CG LEU A 24 1.173 -11.464 -17.804 1.00 25.00 C ATOM 355 CD1 LEU A 24 0.451 -11.260 -16.463 1.00 25.00 C ATOM 356 CD2 LEU A 24 1.617 -10.157 -18.440 1.00 25.00 C ATOM 0 H LEU A 24 4.228 -13.950 -16.858 1.00 25.00 H new ATOM 0 HA LEU A 24 1.289 -13.783 -16.518 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.199 -11.967 -17.305 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.666 -12.596 -18.851 1.00 25.00 H new ATOM 0 HG LEU A 24 0.388 -11.935 -18.395 1.00 25.00 H new ATOM 0 HD11 LEU A 24 -0.364 -10.547 -16.593 1.00 25.00 H new ATOM 0 HD12 LEU A 24 0.048 -12.212 -16.118 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.155 -10.875 -15.725 1.00 25.00 H new ATOM 0 HD21 LEU A 24 0.786 -9.452 -18.440 1.00 25.00 H new ATOM 0 HD22 LEU A 24 2.448 -9.739 -17.871 1.00 25.00 H new ATOM 0 HD23 LEU A 24 1.936 -10.341 -19.466 1.00 25.00 H new ATOM 368 N SER A 25 0.618 -15.284 -18.361 1.00 25.00 N ATOM 369 CA SER A 25 0.209 -16.216 -19.415 1.00 25.00 C ATOM 370 C SER A 25 -0.203 -15.400 -20.627 1.00 25.00 C ATOM 371 O SER A 25 -0.739 -14.303 -20.488 1.00 25.00 O ATOM 372 CB SER A 25 -0.954 -17.090 -18.944 1.00 25.00 C ATOM 373 OG SER A 25 -1.320 -18.032 -19.940 1.00 25.00 O ATOM 0 H SER A 25 -0.132 -15.001 -17.730 1.00 25.00 H new ATOM 0 HA SER A 25 1.037 -16.878 -19.667 1.00 25.00 H new ATOM 0 HB2 SER A 25 -0.673 -17.613 -18.030 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.811 -16.461 -18.701 1.00 25.00 H new ATOM 0 HG SER A 25 -0.527 -18.287 -20.457 1.00 25.00 H new ATOM 379 N PHE A 26 0.072 -15.919 -21.817 1.00 25.00 N ATOM 380 CA PHE A 26 -0.239 -15.223 -23.061 1.00 25.00 C ATOM 381 C PHE A 26 -0.285 -16.245 -24.175 1.00 25.00 C ATOM 382 O PHE A 26 0.172 -17.374 -24.004 1.00 25.00 O ATOM 383 CB PHE A 26 0.834 -14.180 -23.379 1.00 25.00 C ATOM 384 CG PHE A 26 2.238 -14.728 -23.356 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.985 -14.688 -22.169 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.817 -15.284 -24.512 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.301 -15.193 -22.126 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.140 -15.780 -24.484 1.00 25.00 C ATOM 389 CZ PHE A 26 4.882 -15.730 -23.293 1.00 25.00 C ATOM 0 H PHE A 26 0.514 -16.829 -21.948 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.197 -14.713 -22.962 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.635 -13.756 -24.363 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.760 -13.365 -22.659 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.547 -14.265 -21.277 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.246 -15.332 -25.427 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.861 -15.169 -21.203 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.580 -16.197 -25.378 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.896 -16.102 -23.271 1.00 25.00 H new ATOM 399 N ARG A 27 -0.833 -15.879 -25.326 1.00 25.00 N ATOM 400 CA ARG A 27 -0.899 -16.799 -26.451 1.00 25.00 C ATOM 401 C ARG A 27 -0.163 -16.211 -27.638 1.00 25.00 C ATOM 402 O ARG A 27 -0.038 -15.010 -27.758 1.00 25.00 O ATOM 403 CB ARG A 27 -2.361 -17.110 -26.811 1.00 25.00 C ATOM 404 CG ARG A 27 -3.160 -17.764 -25.667 1.00 25.00 C ATOM 405 CD ARG A 27 -2.593 -19.131 -25.254 1.00 25.00 C ATOM 406 NE ARG A 27 -3.347 -19.724 -24.144 1.00 25.00 N ATOM 407 CZ ARG A 27 -3.056 -20.882 -23.555 1.00 25.00 C ATOM 408 NH1 ARG A 27 -2.064 -21.641 -23.946 1.00 25.00 N ATOM 409 NH2 ARG A 27 -3.794 -21.297 -22.559 1.00 25.00 N ATOM 0 H ARG A 27 -1.235 -14.959 -25.504 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.418 -17.736 -26.171 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.857 -16.185 -27.105 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.379 -17.771 -27.678 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -3.160 -17.099 -24.803 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -4.198 -17.884 -25.977 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -2.615 -19.806 -26.109 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -1.548 -19.018 -24.964 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.156 -19.210 -23.797 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -1.479 -21.352 -24.730 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -1.876 -22.521 -23.466 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -4.584 -20.735 -22.241 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -3.580 -22.183 -22.100 1.00 25.00 H new ATOM 423 N LYS A 28 0.323 -17.072 -28.514 1.00 25.00 N ATOM 424 CA LYS A 28 1.003 -16.623 -29.729 1.00 25.00 C ATOM 425 C LYS A 28 0.036 -15.750 -30.528 1.00 25.00 C ATOM 426 O LYS A 28 -1.129 -16.094 -30.697 1.00 25.00 O ATOM 427 CB LYS A 28 1.496 -17.810 -30.566 1.00 25.00 C ATOM 428 CG LYS A 28 0.431 -18.826 -30.963 1.00 25.00 C ATOM 429 CD LYS A 28 1.076 -20.030 -31.664 1.00 25.00 C ATOM 430 CE LYS A 28 0.036 -21.090 -32.033 1.00 25.00 C ATOM 431 NZ LYS A 28 -0.982 -20.580 -33.016 1.00 25.00 N ATOM 0 H LYS A 28 0.263 -18.085 -28.413 1.00 25.00 H new ATOM 0 HA LYS A 28 1.886 -16.044 -29.458 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.960 -17.423 -31.474 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.275 -18.327 -30.006 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.111 -19.160 -30.078 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.298 -18.359 -31.625 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.590 -19.695 -32.565 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.830 -20.471 -31.012 1.00 25.00 H new ATOM 0 HE2 LYS A 28 0.541 -21.958 -32.456 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.473 -21.426 -31.129 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -1.591 -21.365 -33.324 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 -1.565 -19.847 -32.564 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 -0.495 -20.175 -33.841 1.00 25.00 H new ATOM 445 N GLY A 29 0.536 -14.619 -30.993 1.00 25.00 N ATOM 446 CA GLY A 29 -0.281 -13.668 -31.734 1.00 25.00 C ATOM 447 C GLY A 29 -0.852 -12.564 -30.856 1.00 25.00 C ATOM 448 O GLY A 29 -1.300 -11.557 -31.381 1.00 25.00 O ATOM 0 H GLY A 29 1.508 -14.334 -30.871 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.320 -13.221 -32.526 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.100 -14.200 -32.218 1.00 25.00 H new ATOM 452 N ASP A 30 -0.804 -12.727 -29.537 1.00 25.00 N ATOM 453 CA ASP A 30 -1.300 -11.706 -28.609 1.00 25.00 C ATOM 454 C ASP A 30 -0.264 -10.581 -28.488 1.00 25.00 C ATOM 455 O ASP A 30 0.904 -10.786 -28.812 1.00 25.00 O ATOM 456 CB ASP A 30 -1.540 -12.355 -27.237 1.00 25.00 C ATOM 457 CG ASP A 30 -2.562 -11.612 -26.397 1.00 25.00 C ATOM 458 OD1 ASP A 30 -2.985 -12.184 -25.373 1.00 25.00 O ATOM 459 OD2 ASP A 30 -2.969 -10.494 -26.776 1.00 25.00 O ATOM 0 H ASP A 30 -0.426 -13.558 -29.082 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.235 -11.286 -28.979 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.875 -13.382 -27.381 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.596 -12.401 -26.694 1.00 25.00 H new ATOM 464 N ILE A 31 -0.681 -9.407 -28.040 1.00 25.00 N ATOM 465 CA ILE A 31 0.213 -8.250 -27.907 1.00 25.00 C ATOM 466 C ILE A 31 0.107 -7.674 -26.491 1.00 25.00 C ATOM 467 O ILE A 31 -0.992 -7.441 -25.983 1.00 25.00 O ATOM 468 CB ILE A 31 -0.102 -7.134 -28.967 1.00 25.00 C ATOM 469 CG1 ILE A 31 0.252 -7.618 -30.383 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.744 -5.863 -28.703 1.00 25.00 C ATOM 471 CD1 ILE A 31 -0.899 -8.208 -31.165 1.00 25.00 C ATOM 0 H ILE A 31 -1.643 -9.222 -27.757 1.00 25.00 H new ATOM 0 HA ILE A 31 1.230 -8.595 -28.091 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.166 -6.911 -28.884 1.00 25.00 H new ATOM 0 HG12 ILE A 31 0.661 -6.779 -30.946 1.00 25.00 H new ATOM 0 HG13 ILE A 31 1.041 -8.366 -30.308 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.507 -5.106 -29.451 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.518 -5.475 -27.710 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.803 -6.112 -28.763 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.549 -8.519 -32.149 1.00 25.00 H new ATOM 0 HD12 ILE A 31 -1.297 -9.071 -30.632 1.00 25.00 H new ATOM 0 HD13 ILE A 31 -1.683 -7.459 -31.279 1.00 25.00 H new ATOM 483 N MET A 32 1.250 -7.441 -25.871 1.00 25.00 N ATOM 484 CA MET A 32 1.329 -6.929 -24.502 1.00 25.00 C ATOM 485 C MET A 32 2.293 -5.748 -24.440 1.00 25.00 C ATOM 486 O MET A 32 3.180 -5.626 -25.280 1.00 25.00 O ATOM 487 CB MET A 32 1.804 -8.053 -23.583 1.00 25.00 C ATOM 488 CG MET A 32 3.199 -8.582 -23.929 1.00 25.00 C ATOM 489 SD MET A 32 3.447 -10.251 -23.317 1.00 25.00 S ATOM 490 CE MET A 32 2.525 -11.182 -24.549 1.00 25.00 C ATOM 0 H MET A 32 2.161 -7.601 -26.302 1.00 25.00 H new ATOM 0 HA MET A 32 0.347 -6.585 -24.178 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.806 -7.693 -22.554 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.091 -8.876 -23.631 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.336 -8.567 -25.010 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.955 -7.922 -23.503 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.926 -12.194 -24.615 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.475 -11.226 -24.261 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.615 -10.692 -25.518 1.00 25.00 H new ATOM 500 N THR A 33 2.110 -4.881 -23.458 1.00 25.00 N ATOM 501 CA THR A 33 2.982 -3.710 -23.283 1.00 25.00 C ATOM 502 C THR A 33 4.189 -4.146 -22.464 1.00 25.00 C ATOM 503 O THR A 33 4.030 -4.857 -21.484 1.00 25.00 O ATOM 504 CB THR A 33 2.222 -2.586 -22.542 1.00 25.00 C ATOM 505 OG1 THR A 33 1.006 -2.317 -23.247 1.00 25.00 O ATOM 506 CG2 THR A 33 3.020 -1.287 -22.463 1.00 25.00 C ATOM 0 H THR A 33 1.367 -4.958 -22.764 1.00 25.00 H new ATOM 0 HA THR A 33 3.297 -3.326 -24.253 1.00 25.00 H new ATOM 0 HB THR A 33 2.040 -2.931 -21.524 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.512 -1.607 -22.787 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.437 -0.534 -21.933 1.00 25.00 H new ATOM 0 HG22 THR A 33 3.954 -1.465 -21.930 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.239 -0.933 -23.470 1.00 25.00 H new ATOM 514 N VAL A 34 5.393 -3.742 -22.854 1.00 25.00 N ATOM 515 CA VAL A 34 6.612 -4.072 -22.106 1.00 25.00 C ATOM 516 C VAL A 34 6.995 -2.851 -21.280 1.00 25.00 C ATOM 517 O VAL A 34 7.089 -1.729 -21.797 1.00 25.00 O ATOM 518 CB VAL A 34 7.777 -4.490 -23.047 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.085 -4.687 -22.262 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.438 -5.799 -23.773 1.00 25.00 C ATOM 0 H VAL A 34 5.557 -3.181 -23.690 1.00 25.00 H new ATOM 0 HA VAL A 34 6.420 -4.928 -21.459 1.00 25.00 H new ATOM 0 HB VAL A 34 7.912 -3.687 -23.772 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.880 -4.979 -22.948 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.356 -3.754 -21.767 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.946 -5.468 -21.514 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.264 -6.077 -24.427 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.274 -6.589 -23.041 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.535 -5.662 -24.368 1.00 25.00 H new ATOM 530 N LEU A 35 7.149 -3.065 -19.980 1.00 25.00 N ATOM 531 CA LEU A 35 7.401 -1.984 -19.038 1.00 25.00 C ATOM 532 C LEU A 35 8.858 -1.917 -18.633 1.00 25.00 C ATOM 533 O LEU A 35 9.389 -0.833 -18.430 1.00 25.00 O ATOM 534 CB LEU A 35 6.566 -2.207 -17.768 1.00 25.00 C ATOM 535 CG LEU A 35 5.047 -2.352 -17.950 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.404 -2.715 -16.605 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.422 -1.066 -18.493 1.00 25.00 C ATOM 0 H LEU A 35 7.103 -3.989 -19.551 1.00 25.00 H new ATOM 0 HA LEU A 35 7.129 -1.051 -19.532 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.935 -3.105 -17.273 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.748 -1.372 -17.091 1.00 25.00 H new ATOM 0 HG LEU A 35 4.865 -3.144 -18.676 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.326 -2.818 -16.733 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.819 -3.657 -16.246 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.610 -1.928 -15.879 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.347 -1.205 -18.609 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.609 -0.248 -17.797 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.864 -0.827 -19.460 1.00 25.00 H new ATOM 549 N GLU A 36 9.484 -3.074 -18.499 1.00 25.00 N ATOM 550 CA GLU A 36 10.880 -3.153 -18.073 1.00 25.00 C ATOM 551 C GLU A 36 11.485 -4.398 -18.717 1.00 25.00 C ATOM 552 O GLU A 36 10.749 -5.286 -19.152 1.00 25.00 O ATOM 553 CB GLU A 36 10.934 -3.234 -16.543 1.00 25.00 C ATOM 554 CG GLU A 36 12.321 -3.037 -15.947 1.00 25.00 C ATOM 555 CD GLU A 36 12.264 -2.923 -14.440 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.867 -1.855 -13.936 1.00 25.00 O ATOM 557 OE2 GLU A 36 12.583 -3.917 -13.765 1.00 25.00 O ATOM 0 H GLU A 36 9.049 -3.979 -18.679 1.00 25.00 H new ATOM 0 HA GLU A 36 11.446 -2.273 -18.381 1.00 25.00 H new ATOM 0 HB2 GLU A 36 10.264 -2.481 -16.128 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.553 -4.206 -16.230 1.00 25.00 H new ATOM 0 HG2 GLU A 36 12.961 -3.874 -16.226 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.773 -2.137 -16.364 1.00 25.00 H new ATOM 564 N ARG A 37 12.806 -4.468 -18.786 1.00 25.00 N ATOM 565 CA ARG A 37 13.502 -5.630 -19.320 1.00 25.00 C ATOM 566 C ARG A 37 14.549 -6.034 -18.315 1.00 25.00 C ATOM 567 O ARG A 37 15.062 -5.169 -17.620 1.00 25.00 O ATOM 568 CB ARG A 37 14.222 -5.308 -20.615 1.00 25.00 C ATOM 569 CG ARG A 37 13.353 -4.873 -21.777 1.00 25.00 C ATOM 570 CD ARG A 37 14.178 -4.895 -23.083 1.00 25.00 C ATOM 571 NE ARG A 37 15.304 -3.928 -23.067 1.00 25.00 N ATOM 572 CZ ARG A 37 16.554 -4.201 -22.699 1.00 25.00 C ATOM 573 NH1 ARG A 37 16.932 -5.391 -22.314 1.00 25.00 N ATOM 574 NH2 ARG A 37 17.444 -3.247 -22.702 1.00 25.00 N ATOM 0 H ARG A 37 13.426 -3.721 -18.473 1.00 25.00 H new ATOM 0 HA ARG A 37 12.770 -6.415 -19.510 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.947 -4.519 -20.416 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.786 -6.189 -20.921 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.493 -5.536 -21.868 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.965 -3.870 -21.598 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.570 -5.899 -23.243 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.523 -4.670 -23.925 1.00 25.00 H new ATOM 0 HE ARG A 37 15.103 -2.973 -23.363 1.00 25.00 H new ATOM 0 HH11 ARG A 37 16.258 -6.156 -22.287 1.00 25.00 H new ATOM 0 HH12 ARG A 37 17.901 -5.555 -22.041 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.179 -2.303 -22.984 1.00 25.00 H new ATOM 0 HH22 ARG A 37 18.405 -3.445 -22.422 1.00 25.00 H new ATOM 588 N ASP A 38 14.852 -7.324 -18.280 1.00 25.00 N ATOM 589 CA ASP A 38 15.857 -7.912 -17.387 1.00 25.00 C ATOM 590 C ASP A 38 15.421 -7.594 -15.952 1.00 25.00 C ATOM 591 O ASP A 38 16.205 -7.284 -15.062 1.00 25.00 O ATOM 592 CB ASP A 38 17.254 -7.416 -17.774 1.00 25.00 C ATOM 593 CG ASP A 38 17.487 -7.508 -19.290 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.132 -8.563 -19.890 1.00 25.00 O ATOM 595 OD2 ASP A 38 17.870 -6.486 -19.909 1.00 25.00 O ATOM 0 H ASP A 38 14.399 -8.011 -18.883 1.00 25.00 H new ATOM 0 HA ASP A 38 15.924 -8.996 -17.474 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.377 -6.383 -17.448 1.00 25.00 H new ATOM 0 HB3 ASP A 38 18.008 -8.006 -17.253 1.00 25.00 H new ATOM 600 N THR A 39 14.101 -7.616 -15.804 1.00 25.00 N ATOM 601 CA THR A 39 13.384 -7.031 -14.662 1.00 25.00 C ATOM 602 C THR A 39 13.546 -7.755 -13.333 1.00 25.00 C ATOM 603 O THR A 39 13.164 -7.249 -12.290 1.00 25.00 O ATOM 604 CB THR A 39 11.873 -6.974 -15.029 1.00 25.00 C ATOM 605 OG1 THR A 39 11.138 -6.210 -14.074 1.00 25.00 O ATOM 606 CG2 THR A 39 11.282 -8.384 -15.110 1.00 25.00 C ATOM 0 H THR A 39 13.480 -8.050 -16.487 1.00 25.00 H new ATOM 0 HA THR A 39 13.826 -6.048 -14.498 1.00 25.00 H new ATOM 0 HB THR A 39 11.793 -6.491 -16.003 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.601 -5.362 -13.907 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.225 -8.321 -15.368 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.808 -8.956 -15.874 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.391 -8.880 -14.146 1.00 25.00 H new ATOM 614 N GLN A 40 14.127 -8.941 -13.365 1.00 25.00 N ATOM 615 CA GLN A 40 14.306 -9.731 -12.150 1.00 25.00 C ATOM 616 C GLN A 40 15.777 -10.127 -12.007 1.00 25.00 C ATOM 617 O GLN A 40 16.126 -11.026 -11.253 1.00 25.00 O ATOM 618 CB GLN A 40 13.390 -10.961 -12.219 1.00 25.00 C ATOM 619 CG GLN A 40 12.965 -11.505 -10.862 1.00 25.00 C ATOM 620 CD GLN A 40 11.828 -12.496 -10.984 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.979 -13.568 -11.546 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.675 -12.127 -10.463 1.00 25.00 N ATOM 0 H GLN A 40 14.483 -9.381 -14.213 1.00 25.00 H new ATOM 0 HA GLN A 40 14.034 -9.148 -11.270 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.498 -10.703 -12.789 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.902 -11.750 -12.769 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.816 -11.986 -10.381 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.660 -10.679 -10.219 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.591 -11.222 -10.001 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.867 -12.747 -10.522 1.00 25.00 H new ATOM 631 N GLY A 41 16.632 -9.478 -12.788 1.00 25.00 N ATOM 632 CA GLY A 41 18.042 -9.838 -12.817 1.00 25.00 C ATOM 633 C GLY A 41 18.256 -11.002 -13.767 1.00 25.00 C ATOM 634 O GLY A 41 19.376 -11.419 -14.038 1.00 25.00 O ATOM 0 H GLY A 41 16.376 -8.707 -13.404 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.639 -8.983 -13.135 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.379 -10.107 -11.816 1.00 25.00 H new ATOM 638 N LEU A 42 17.161 -11.533 -14.287 1.00 25.00 N ATOM 639 CA LEU A 42 17.202 -12.622 -15.241 1.00 25.00 C ATOM 640 C LEU A 42 17.289 -12.026 -16.629 1.00 25.00 C ATOM 641 O LEU A 42 16.368 -11.337 -17.080 1.00 25.00 O ATOM 642 CB LEU A 42 15.922 -13.464 -15.137 1.00 25.00 C ATOM 643 CG LEU A 42 15.656 -14.178 -13.806 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.277 -14.841 -13.886 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.721 -15.222 -13.504 1.00 25.00 C ATOM 0 H LEU A 42 16.218 -11.218 -14.057 1.00 25.00 H new ATOM 0 HA LEU A 42 18.062 -13.260 -15.037 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.073 -12.814 -15.347 1.00 25.00 H new ATOM 0 HB3 LEU A 42 15.949 -14.217 -15.924 1.00 25.00 H new ATOM 0 HG LEU A 42 15.686 -13.447 -12.998 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.066 -15.356 -12.949 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.517 -14.080 -14.061 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.266 -15.560 -14.705 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.497 -15.706 -12.553 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.733 -15.969 -14.297 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.697 -14.740 -13.445 1.00 25.00 H new ATOM 657 N ASP A 43 18.396 -12.283 -17.299 1.00 25.00 N ATOM 658 CA ASP A 43 18.613 -11.753 -18.641 1.00 25.00 C ATOM 659 C ASP A 43 17.542 -12.281 -19.583 1.00 25.00 C ATOM 660 O ASP A 43 17.260 -13.483 -19.640 1.00 25.00 O ATOM 661 CB ASP A 43 19.990 -12.152 -19.177 1.00 25.00 C ATOM 662 CG ASP A 43 21.125 -11.422 -18.482 1.00 25.00 C ATOM 663 OD1 ASP A 43 21.072 -10.179 -18.408 1.00 25.00 O ATOM 664 OD2 ASP A 43 22.078 -12.095 -18.041 1.00 25.00 O ATOM 0 H ASP A 43 19.161 -12.854 -16.941 1.00 25.00 H new ATOM 0 HA ASP A 43 18.561 -10.666 -18.585 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.126 -13.226 -19.054 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.032 -11.946 -20.247 1.00 25.00 H new ATOM 669 N GLY A 44 16.937 -11.372 -20.331 1.00 25.00 N ATOM 670 CA GLY A 44 15.952 -11.752 -21.318 1.00 25.00 C ATOM 671 C GLY A 44 14.536 -11.893 -20.799 1.00 25.00 C ATOM 672 O GLY A 44 13.656 -12.217 -21.581 1.00 25.00 O ATOM 0 H GLY A 44 17.114 -10.369 -20.270 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.957 -11.010 -22.116 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.254 -12.700 -21.763 1.00 25.00 H new ATOM 676 N TRP A 45 14.284 -11.625 -19.527 1.00 25.00 N ATOM 677 CA TRP A 45 12.911 -11.679 -18.988 1.00 25.00 C ATOM 678 C TRP A 45 12.394 -10.260 -18.849 1.00 25.00 C ATOM 679 O TRP A 45 13.072 -9.409 -18.298 1.00 25.00 O ATOM 680 CB TRP A 45 12.891 -12.378 -17.635 1.00 25.00 C ATOM 681 CG TRP A 45 12.901 -13.865 -17.775 1.00 25.00 C ATOM 682 CD1 TRP A 45 13.964 -14.656 -18.026 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.772 -14.751 -17.681 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.603 -15.975 -18.100 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.254 -16.078 -17.890 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.396 -14.560 -17.439 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.397 -17.213 -17.865 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.537 -15.690 -17.406 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.052 -17.008 -17.624 1.00 25.00 C ATOM 0 H TRP A 45 14.997 -11.369 -18.844 1.00 25.00 H new ATOM 0 HA TRP A 45 12.274 -12.246 -19.667 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.756 -12.063 -17.051 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.003 -12.072 -17.081 1.00 25.00 H new ATOM 0 HD1 TRP A 45 14.974 -14.294 -18.153 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.236 -16.754 -18.282 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.001 -13.567 -17.281 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 11.787 -18.207 -18.030 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.483 -15.554 -17.214 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.380 -17.853 -17.600 1.00 25.00 H new ATOM 700 N TRP A 46 11.221 -9.982 -19.392 1.00 25.00 N ATOM 701 CA TRP A 46 10.702 -8.627 -19.423 1.00 25.00 C ATOM 702 C TRP A 46 9.414 -8.553 -18.612 1.00 25.00 C ATOM 703 O TRP A 46 8.622 -9.494 -18.627 1.00 25.00 O ATOM 704 CB TRP A 46 10.418 -8.216 -20.874 1.00 25.00 C ATOM 705 CG TRP A 46 11.617 -8.329 -21.802 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.924 -8.527 -21.474 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.604 -8.262 -23.237 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.721 -8.606 -22.569 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.946 -8.447 -23.686 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.591 -8.078 -24.195 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.291 -8.458 -25.050 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.931 -8.100 -25.571 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.285 -8.288 -25.979 1.00 25.00 C ATOM 0 H TRP A 46 10.610 -10.679 -19.818 1.00 25.00 H new ATOM 0 HA TRP A 46 11.440 -7.950 -18.993 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.612 -8.837 -21.264 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.061 -7.186 -20.884 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.284 -8.611 -20.459 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.730 -8.758 -22.561 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.568 -7.922 -23.887 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.316 -8.596 -25.362 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.159 -7.974 -26.316 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.526 -8.297 -27.032 1.00 25.00 H new ATOM 724 N LEU A 47 9.196 -7.437 -17.935 1.00 25.00 N ATOM 725 CA LEU A 47 7.956 -7.227 -17.202 1.00 25.00 C ATOM 726 C LEU A 47 6.964 -6.701 -18.204 1.00 25.00 C ATOM 727 O LEU A 47 7.183 -5.637 -18.791 1.00 25.00 O ATOM 728 CB LEU A 47 8.139 -6.219 -16.065 1.00 25.00 C ATOM 729 CG LEU A 47 6.875 -5.905 -15.237 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.351 -7.150 -14.511 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.212 -4.814 -14.227 1.00 25.00 C ATOM 0 H LEU A 47 9.859 -6.664 -17.877 1.00 25.00 H new ATOM 0 HA LEU A 47 7.620 -8.157 -16.743 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.908 -6.596 -15.391 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.515 -5.287 -16.488 1.00 25.00 H new ATOM 0 HG LEU A 47 6.089 -5.568 -15.912 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.461 -6.890 -13.939 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.101 -7.919 -15.242 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.119 -7.528 -13.836 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.327 -4.581 -13.634 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.009 -5.161 -13.569 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.541 -3.919 -14.755 1.00 25.00 H new ATOM 743 N CYS A 48 5.900 -7.443 -18.433 1.00 25.00 N ATOM 744 CA CYS A 48 4.910 -7.056 -19.420 1.00 25.00 C ATOM 745 C CYS A 48 3.559 -6.877 -18.766 1.00 25.00 C ATOM 746 O CYS A 48 3.308 -7.432 -17.710 1.00 25.00 O ATOM 747 CB CYS A 48 4.824 -8.126 -20.505 1.00 25.00 C ATOM 748 SG CYS A 48 6.424 -8.449 -21.290 1.00 25.00 S ATOM 0 H CYS A 48 5.698 -8.318 -17.949 1.00 25.00 H new ATOM 0 HA CYS A 48 5.208 -6.109 -19.869 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.443 -9.050 -20.070 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.107 -7.812 -21.264 1.00 25.00 H new ATOM 0 HG CYS A 48 7.274 -8.852 -20.393 1.00 25.00 H new ATOM 754 N SER A 49 2.682 -6.117 -19.405 1.00 25.00 N ATOM 755 CA SER A 49 1.325 -5.889 -18.921 1.00 25.00 C ATOM 756 C SER A 49 0.329 -6.309 -19.999 1.00 25.00 C ATOM 757 O SER A 49 0.458 -5.944 -21.168 1.00 25.00 O ATOM 758 CB SER A 49 1.142 -4.424 -18.540 1.00 25.00 C ATOM 759 OG SER A 49 2.037 -3.608 -19.272 1.00 25.00 O ATOM 0 H SER A 49 2.892 -5.637 -20.280 1.00 25.00 H new ATOM 0 HA SER A 49 1.146 -6.489 -18.028 1.00 25.00 H new ATOM 0 HB2 SER A 49 0.115 -4.116 -18.737 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.314 -4.295 -17.471 1.00 25.00 H new ATOM 0 HG SER A 49 1.802 -2.666 -19.141 1.00 25.00 H new ATOM 765 N LEU A 50 -0.644 -7.114 -19.595 1.00 25.00 N ATOM 766 CA LEU A 50 -1.643 -7.689 -20.495 1.00 25.00 C ATOM 767 C LEU A 50 -2.949 -7.902 -19.726 1.00 25.00 C ATOM 768 O LEU A 50 -2.930 -8.346 -18.585 1.00 25.00 O ATOM 769 CB LEU A 50 -1.125 -9.035 -21.019 1.00 25.00 C ATOM 770 CG LEU A 50 -2.007 -9.806 -22.021 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.239 -9.016 -23.304 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.333 -11.137 -22.345 1.00 25.00 C ATOM 0 H LEU A 50 -0.766 -7.392 -18.621 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.824 -7.016 -21.333 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.158 -8.861 -21.490 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.949 -9.683 -20.160 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.982 -9.972 -21.564 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.865 -9.597 -23.981 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.736 -8.075 -23.067 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.282 -8.810 -23.783 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.947 -11.693 -23.053 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.352 -10.951 -22.783 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.218 -11.719 -21.430 1.00 25.00 H new ATOM 784 N HIS A 51 -4.065 -7.575 -20.356 1.00 25.00 N ATOM 785 CA HIS A 51 -5.403 -7.794 -19.786 1.00 25.00 C ATOM 786 C HIS A 51 -5.626 -7.164 -18.394 1.00 25.00 C ATOM 787 O HIS A 51 -6.388 -7.670 -17.568 1.00 25.00 O ATOM 788 CB HIS A 51 -5.713 -9.303 -19.762 1.00 25.00 C ATOM 789 CG HIS A 51 -7.155 -9.626 -20.013 1.00 25.00 C ATOM 790 ND1 HIS A 51 -8.177 -9.335 -19.145 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.757 -10.247 -21.062 1.00 25.00 C ATOM 792 CE1 HIS A 51 -9.313 -9.760 -19.674 1.00 25.00 C ATOM 793 NE2 HIS A 51 -9.121 -10.322 -20.848 1.00 25.00 N ATOM 0 H HIS A 51 -4.079 -7.148 -21.282 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.101 -7.272 -20.441 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -5.102 -9.802 -20.514 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -5.422 -9.709 -18.793 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -8.078 -8.869 -18.243 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.245 -10.626 -21.934 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -10.278 -9.658 -19.201 1.00 25.00 H new ATOM 801 N GLY A 52 -4.950 -6.048 -18.144 1.00 25.00 N ATOM 802 CA GLY A 52 -5.096 -5.346 -16.873 1.00 25.00 C ATOM 803 C GLY A 52 -4.285 -5.949 -15.737 1.00 25.00 C ATOM 804 O GLY A 52 -4.490 -5.618 -14.572 1.00 25.00 O ATOM 0 H GLY A 52 -4.300 -5.612 -18.799 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.797 -4.306 -17.007 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.149 -5.341 -16.591 1.00 25.00 H new ATOM 808 N ARG A 53 -3.363 -6.837 -16.070 1.00 25.00 N ATOM 809 CA ARG A 53 -2.491 -7.484 -15.092 1.00 25.00 C ATOM 810 C ARG A 53 -1.080 -7.340 -15.622 1.00 25.00 C ATOM 811 O ARG A 53 -0.921 -7.036 -16.803 1.00 25.00 O ATOM 812 CB ARG A 53 -2.852 -8.964 -14.962 1.00 25.00 C ATOM 813 CG ARG A 53 -4.295 -9.187 -14.537 1.00 25.00 C ATOM 814 CD ARG A 53 -4.607 -10.665 -14.402 1.00 25.00 C ATOM 815 NE ARG A 53 -6.012 -10.877 -14.039 1.00 25.00 N ATOM 816 CZ ARG A 53 -6.603 -12.060 -13.919 1.00 25.00 C ATOM 817 NH1 ARG A 53 -5.961 -13.187 -14.110 1.00 25.00 N ATOM 818 NH2 ARG A 53 -7.863 -12.108 -13.605 1.00 25.00 N ATOM 0 H ARG A 53 -3.194 -7.134 -17.031 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.596 -7.030 -14.106 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.679 -9.460 -15.917 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -2.188 -9.432 -14.235 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -4.478 -8.686 -13.586 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.966 -8.737 -15.269 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -4.390 -11.173 -15.342 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.961 -11.108 -13.644 1.00 25.00 H new ATOM 0 HE ARG A 53 -6.581 -10.049 -13.865 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -4.972 -13.175 -14.360 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -6.450 -14.076 -14.008 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -8.384 -11.244 -13.454 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -8.331 -13.009 -13.509 1.00 25.00 H new ATOM 832 N GLN A 54 -0.066 -7.575 -14.796 1.00 25.00 N ATOM 833 CA GLN A 54 1.317 -7.541 -15.265 1.00 25.00 C ATOM 834 C GLN A 54 2.087 -8.706 -14.673 1.00 25.00 C ATOM 835 O GLN A 54 1.843 -9.090 -13.536 1.00 25.00 O ATOM 836 CB GLN A 54 1.984 -6.187 -14.937 1.00 25.00 C ATOM 837 CG GLN A 54 2.136 -5.879 -13.450 1.00 25.00 C ATOM 838 CD GLN A 54 2.722 -4.503 -13.205 1.00 25.00 C ATOM 839 OE1 GLN A 54 2.294 -3.528 -13.808 1.00 25.00 O ATOM 840 NE2 GLN A 54 3.700 -4.424 -12.341 1.00 25.00 N ATOM 0 H GLN A 54 -0.173 -7.790 -13.805 1.00 25.00 H new ATOM 0 HA GLN A 54 1.326 -7.641 -16.350 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.971 -6.166 -15.399 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.399 -5.391 -15.398 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.162 -5.948 -12.965 1.00 25.00 H new ATOM 0 HG3 GLN A 54 2.776 -6.631 -12.989 1.00 25.00 H new ATOM 0 HE21 GLN A 54 4.025 -5.263 -11.861 1.00 25.00 H new ATOM 0 HE22 GLN A 54 4.138 -3.523 -12.147 1.00 25.00 H new ATOM 849 N GLY A 55 2.946 -9.298 -15.486 1.00 25.00 N ATOM 850 CA GLY A 55 3.697 -10.478 -15.091 1.00 25.00 C ATOM 851 C GLY A 55 5.046 -10.535 -15.777 1.00 25.00 C ATOM 852 O GLY A 55 5.244 -9.834 -16.778 1.00 25.00 O ATOM 0 H GLY A 55 3.142 -8.976 -16.434 1.00 25.00 H new ATOM 0 HA2 GLY A 55 3.838 -10.476 -14.010 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.125 -11.373 -15.336 1.00 25.00 H new ATOM 856 N ILE A 56 5.958 -11.365 -15.292 1.00 25.00 N ATOM 857 CA ILE A 56 7.232 -11.552 -15.981 1.00 25.00 C ATOM 858 C ILE A 56 6.987 -12.465 -17.187 1.00 25.00 C ATOM 859 O ILE A 56 6.125 -13.348 -17.150 1.00 25.00 O ATOM 860 CB ILE A 56 8.354 -12.111 -15.038 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.036 -13.545 -14.558 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.539 -11.159 -13.828 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.184 -14.228 -13.817 1.00 25.00 C ATOM 0 H ILE A 56 5.846 -11.913 -14.439 1.00 25.00 H new ATOM 0 HA ILE A 56 7.604 -10.584 -16.317 1.00 25.00 H new ATOM 0 HB ILE A 56 9.283 -12.160 -15.606 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.165 -13.512 -13.903 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.763 -14.153 -15.421 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.319 -11.549 -13.174 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.825 -10.169 -14.184 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.603 -11.088 -13.274 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.877 -15.229 -13.515 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.051 -14.297 -14.474 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.444 -13.646 -12.933 1.00 25.00 H new ATOM 875 N VAL A 57 7.693 -12.192 -18.278 1.00 25.00 N ATOM 876 CA VAL A 57 7.514 -12.910 -19.539 1.00 25.00 C ATOM 877 C VAL A 57 8.879 -13.145 -20.176 1.00 25.00 C ATOM 878 O VAL A 57 9.694 -12.221 -20.238 1.00 25.00 O ATOM 879 CB VAL A 57 6.645 -12.052 -20.522 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.629 -12.649 -21.927 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.222 -11.905 -20.002 1.00 25.00 C ATOM 0 H VAL A 57 8.408 -11.465 -18.315 1.00 25.00 H new ATOM 0 HA VAL A 57 7.016 -13.860 -19.343 1.00 25.00 H new ATOM 0 HB VAL A 57 7.104 -11.065 -20.579 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.017 -12.027 -22.580 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.646 -12.691 -22.316 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.212 -13.656 -21.890 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.639 -11.306 -20.701 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.767 -12.891 -19.902 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.239 -11.413 -19.029 1.00 25.00 H new ATOM 891 N PRO A 58 9.144 -14.363 -20.693 1.00 25.00 N ATOM 892 CA PRO A 58 10.430 -14.479 -21.394 1.00 25.00 C ATOM 893 C PRO A 58 10.399 -13.675 -22.710 1.00 25.00 C ATOM 894 O PRO A 58 9.612 -13.947 -23.620 1.00 25.00 O ATOM 895 CB PRO A 58 10.557 -15.983 -21.634 1.00 25.00 C ATOM 896 CG PRO A 58 9.141 -16.463 -21.725 1.00 25.00 C ATOM 897 CD PRO A 58 8.378 -15.630 -20.736 1.00 25.00 C ATOM 0 HA PRO A 58 11.278 -14.078 -20.838 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.109 -16.195 -22.550 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.092 -16.472 -20.820 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.747 -16.337 -22.733 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.069 -17.524 -21.485 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.349 -15.467 -21.057 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.335 -16.107 -19.757 1.00 25.00 H new ATOM 905 N GLY A 59 11.252 -12.666 -22.798 1.00 25.00 N ATOM 906 CA GLY A 59 11.273 -11.781 -23.948 1.00 25.00 C ATOM 907 C GLY A 59 11.769 -12.457 -25.201 1.00 25.00 C ATOM 908 O GLY A 59 11.501 -12.001 -26.309 1.00 25.00 O ATOM 0 H GLY A 59 11.942 -12.440 -22.081 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.268 -11.397 -24.122 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.909 -10.923 -23.728 1.00 25.00 H new ATOM 912 N ASN A 60 12.427 -13.599 -25.037 1.00 25.00 N ATOM 913 CA ASN A 60 12.869 -14.411 -26.183 1.00 25.00 C ATOM 914 C ASN A 60 11.670 -15.046 -26.903 1.00 25.00 C ATOM 915 O ASN A 60 11.825 -15.675 -27.945 1.00 25.00 O ATOM 916 CB ASN A 60 13.852 -15.495 -25.730 1.00 25.00 C ATOM 917 CG ASN A 60 15.199 -14.925 -25.349 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.698 -14.029 -26.000 1.00 25.00 O ATOM 919 ND2 ASN A 60 15.780 -15.423 -24.294 1.00 25.00 N ATOM 0 H ASN A 60 12.670 -13.990 -24.127 1.00 25.00 H new ATOM 0 HA ASN A 60 13.378 -13.751 -26.885 1.00 25.00 H new ATOM 0 HB2 ASN A 60 13.432 -16.030 -24.878 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.981 -16.223 -26.531 1.00 25.00 H new ATOM 0 HD21 ASN A 60 16.684 -15.060 -23.991 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.331 -16.175 -23.772 1.00 25.00 H new ATOM 926 N ARG A 61 10.473 -14.854 -26.358 1.00 25.00 N ATOM 927 CA ARG A 61 9.244 -15.331 -26.996 1.00 25.00 C ATOM 928 C ARG A 61 8.414 -14.168 -27.522 1.00 25.00 C ATOM 929 O ARG A 61 7.258 -14.354 -27.914 1.00 25.00 O ATOM 930 CB ARG A 61 8.405 -16.159 -26.004 1.00 25.00 C ATOM 931 CG ARG A 61 9.051 -17.476 -25.585 1.00 25.00 C ATOM 932 CD ARG A 61 8.010 -18.416 -24.974 1.00 25.00 C ATOM 933 NE ARG A 61 8.599 -19.710 -24.592 1.00 25.00 N ATOM 934 CZ ARG A 61 7.907 -20.791 -24.236 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.599 -20.813 -24.219 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.548 -21.874 -23.899 1.00 25.00 N ATOM 0 H ARG A 61 10.324 -14.370 -25.473 1.00 25.00 H new ATOM 0 HA ARG A 61 9.531 -15.963 -27.836 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.219 -15.559 -25.113 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.435 -16.370 -26.454 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.515 -17.951 -26.449 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.844 -17.284 -24.863 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.566 -17.946 -24.097 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.204 -18.580 -25.690 1.00 25.00 H new ATOM 0 HE ARG A 61 9.616 -19.785 -24.601 1.00 25.00 H new ATOM 0 HH11 ARG A 61 6.071 -19.981 -24.485 1.00 25.00 H new ATOM 0 HH12 ARG A 61 6.107 -21.662 -23.940 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.568 -21.887 -23.910 1.00 25.00 H new ATOM 0 HH22 ARG A 61 8.030 -22.709 -23.624 1.00 25.00 H new ATOM 950 N LEU A 62 8.991 -12.974 -27.534 1.00 25.00 N ATOM 951 CA LEU A 62 8.290 -11.752 -27.949 1.00 25.00 C ATOM 952 C LEU A 62 8.992 -11.034 -29.103 1.00 25.00 C ATOM 953 O LEU A 62 10.202 -11.166 -29.297 1.00 25.00 O ATOM 954 CB LEU A 62 8.217 -10.781 -26.760 1.00 25.00 C ATOM 955 CG LEU A 62 7.485 -11.234 -25.481 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.544 -10.098 -24.464 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.040 -11.604 -25.765 1.00 25.00 C ATOM 0 H LEU A 62 9.960 -12.818 -27.257 1.00 25.00 H new ATOM 0 HA LEU A 62 7.298 -12.052 -28.286 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.238 -10.521 -26.482 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.738 -9.866 -27.109 1.00 25.00 H new ATOM 0 HG LEU A 62 7.976 -12.125 -25.089 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.031 -10.400 -23.551 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.585 -9.868 -24.236 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.059 -9.214 -24.878 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.556 -11.918 -24.840 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.516 -10.739 -26.173 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.009 -12.420 -26.486 1.00 25.00 H new ATOM 969 N LYS A 63 8.238 -10.229 -29.845 1.00 25.00 N ATOM 970 CA LYS A 63 8.786 -9.384 -30.906 1.00 25.00 C ATOM 971 C LYS A 63 8.327 -7.944 -30.671 1.00 25.00 C ATOM 972 O LYS A 63 7.136 -7.679 -30.670 1.00 25.00 O ATOM 973 CB LYS A 63 8.283 -9.875 -32.266 1.00 25.00 C ATOM 974 CG LYS A 63 9.225 -9.579 -33.432 1.00 25.00 C ATOM 975 CD LYS A 63 10.406 -10.547 -33.435 1.00 25.00 C ATOM 976 CE LYS A 63 11.333 -10.282 -34.615 1.00 25.00 C ATOM 977 NZ LYS A 63 12.442 -11.295 -34.660 1.00 25.00 N ATOM 0 H LYS A 63 7.228 -10.142 -29.729 1.00 25.00 H new ATOM 0 HA LYS A 63 9.875 -9.431 -30.896 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.119 -10.951 -32.212 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.316 -9.415 -32.470 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.682 -9.659 -34.374 1.00 25.00 H new ATOM 0 HG3 LYS A 63 9.589 -8.554 -33.360 1.00 25.00 H new ATOM 0 HD2 LYS A 63 10.962 -10.449 -32.503 1.00 25.00 H new ATOM 0 HD3 LYS A 63 10.039 -11.572 -33.481 1.00 25.00 H new ATOM 0 HE2 LYS A 63 10.765 -10.317 -35.545 1.00 25.00 H new ATOM 0 HE3 LYS A 63 11.753 -9.279 -34.535 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 13.061 -11.096 -35.471 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 12.995 -11.243 -33.781 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 12.038 -12.248 -34.759 1.00 25.00 H new ATOM 991 N ILE A 64 9.271 -7.037 -30.443 1.00 25.00 N ATOM 992 CA ILE A 64 8.955 -5.631 -30.160 1.00 25.00 C ATOM 993 C ILE A 64 8.270 -4.984 -31.369 1.00 25.00 C ATOM 994 O ILE A 64 8.666 -5.213 -32.509 1.00 25.00 O ATOM 995 CB ILE A 64 10.265 -4.816 -29.805 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.891 -5.332 -28.485 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.989 -3.287 -29.695 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.105 -4.977 -27.182 1.00 25.00 C ATOM 0 H ILE A 64 10.269 -7.247 -30.448 1.00 25.00 H new ATOM 0 HA ILE A 64 8.281 -5.608 -29.304 1.00 25.00 H new ATOM 0 HB ILE A 64 10.968 -4.973 -30.623 1.00 25.00 H new ATOM 0 HG12 ILE A 64 10.985 -6.416 -28.548 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.900 -4.929 -28.400 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.915 -2.767 -29.450 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.606 -2.917 -30.646 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.253 -3.106 -28.912 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.629 -5.385 -26.318 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.033 -3.894 -27.084 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.103 -5.404 -27.234 1.00 25.00 H new