USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 458 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 1 ARG N :NH3+ 138:sc= -2.57! (180deg=-4.09!) USER MOD Single : A 4 TYR OH : rot 164:sc= -0.303 USER MOD Single : A 6 ASN : amide:sc= -4.54! C(o=-4.5!,f=-3.1!) USER MOD Single : A 8 HIS : no HD1:sc= -7.74! C(o=-7.7!,f=-8!) USER MOD Single : A 10 THR OG1 : rot 175:sc= -1.96! USER MOD Single : A 11 GLN : amide:sc= -2.47! C(o=-2.5!,f=-2.6!) USER MOD Single : A 12 THR OG1 : rot -63:sc= 0.408 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -3.7! C(o=-3.7!,f=-6.9!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.461 USER MOD Single : A 27 ASN : amide:sc= 0.132 K(o=0.13,f=-2.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00678 USER MOD Single : A 49 ASN : amide:sc= -1.25 K(o=-1.3,f=-2!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= 0.00753 (180deg=-0.0764) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.848 K(o=-0.85,f=-1.9!) USER MOD Single : A 64 THR OG1 : rot -68:sc= 0.372 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.154 15.227 -1.875 1.00 0.00 N ATOM 2 CA ARG A 1 2.856 13.781 -1.698 1.00 0.00 C ATOM 3 C ARG A 1 2.241 13.551 -0.312 1.00 0.00 C ATOM 4 O ARG A 1 2.387 14.364 0.579 1.00 0.00 O ATOM 5 CB ARG A 1 4.152 12.976 -1.877 1.00 0.00 C ATOM 6 CG ARG A 1 4.825 12.710 -0.525 1.00 0.00 C ATOM 7 CD ARG A 1 5.101 14.039 0.184 1.00 0.00 C ATOM 8 NE ARG A 1 6.445 14.544 -0.209 1.00 0.00 N ATOM 9 CZ ARG A 1 6.989 15.527 0.455 1.00 0.00 C ATOM 10 NH1 ARG A 1 7.296 15.371 1.714 1.00 0.00 N ATOM 11 NH2 ARG A 1 7.225 16.665 -0.139 1.00 0.00 N ATOM 0 H1 ARG A 1 4.081 15.337 -2.334 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.420 15.663 -2.469 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.170 15.694 -0.946 1.00 0.00 H new ATOM 0 HA ARG A 1 2.136 13.447 -2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.931 12.029 -2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.836 13.521 -2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 1 4.184 12.083 0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 1 5.757 12.165 -0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.336 14.769 -0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.054 13.903 1.264 1.00 0.00 H new ATOM 0 HE ARG A 1 6.940 14.123 -0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 1 7.111 14.482 2.178 1.00 0.00 H new ATOM 0 HH12 ARG A 1 7.721 16.138 2.234 1.00 0.00 H new ATOM 0 HH21 ARG A 1 6.984 16.786 -1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.650 17.433 0.381 1.00 0.00 H new ATOM 27 N GLU A 2 1.548 12.459 -0.121 1.00 0.00 N ATOM 28 CA GLU A 2 0.927 12.214 1.213 1.00 0.00 C ATOM 29 C GLU A 2 0.954 10.728 1.556 1.00 0.00 C ATOM 30 O GLU A 2 0.000 10.183 2.071 1.00 0.00 O ATOM 31 CB GLU A 2 -0.518 12.714 1.207 1.00 0.00 C ATOM 32 CG GLU A 2 -0.839 13.370 2.551 1.00 0.00 C ATOM 33 CD GLU A 2 -0.040 14.666 2.691 1.00 0.00 C ATOM 34 OE1 GLU A 2 -0.059 15.453 1.760 1.00 0.00 O ATOM 35 OE2 GLU A 2 0.579 14.849 3.726 1.00 0.00 O ATOM 0 H GLU A 2 1.387 11.735 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 2 1.499 12.755 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.663 13.430 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.200 11.884 1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.906 13.579 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.595 12.690 3.367 1.00 0.00 H new ATOM 42 N CYS A 3 2.046 10.080 1.300 1.00 0.00 N ATOM 43 CA CYS A 3 2.150 8.634 1.630 1.00 0.00 C ATOM 44 C CYS A 3 3.550 8.378 2.188 1.00 0.00 C ATOM 45 O CYS A 3 3.717 7.886 3.285 1.00 0.00 O ATOM 46 CB CYS A 3 1.923 7.791 0.369 1.00 0.00 C ATOM 47 SG CYS A 3 0.610 8.531 -0.647 1.00 0.00 S ATOM 0 H CYS A 3 2.878 10.488 0.874 1.00 0.00 H new ATOM 0 HA CYS A 3 1.394 8.357 2.365 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.847 7.727 -0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 3 1.649 6.773 0.647 1.00 0.00 H new ATOM 52 N TYR A 4 4.549 8.748 1.435 1.00 0.00 N ATOM 53 CA TYR A 4 5.970 8.580 1.885 1.00 0.00 C ATOM 54 C TYR A 4 6.129 7.298 2.704 1.00 0.00 C ATOM 55 O TYR A 4 5.334 6.387 2.604 1.00 0.00 O ATOM 56 CB TYR A 4 6.395 9.792 2.738 1.00 0.00 C ATOM 57 CG TYR A 4 5.178 10.629 3.119 1.00 0.00 C ATOM 58 CD1 TYR A 4 4.343 10.213 4.164 1.00 0.00 C ATOM 59 CD2 TYR A 4 4.897 11.813 2.426 1.00 0.00 C ATOM 60 CE1 TYR A 4 3.225 10.982 4.515 1.00 0.00 C ATOM 61 CE2 TYR A 4 3.779 12.583 2.778 1.00 0.00 C ATOM 62 CZ TYR A 4 2.944 12.167 3.823 1.00 0.00 C ATOM 63 OH TYR A 4 1.844 12.924 4.170 1.00 0.00 O ATOM 0 H TYR A 4 4.444 9.167 0.511 1.00 0.00 H new ATOM 0 HA TYR A 4 6.606 8.513 1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 4 6.905 9.450 3.639 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.106 10.404 2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 4 4.561 9.300 4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 4 5.541 12.133 1.620 1.00 0.00 H new ATOM 0 HE1 TYR A 4 2.580 10.661 5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 4 3.562 13.496 2.244 1.00 0.00 H new ATOM 0 HH TYR A 4 1.926 13.819 3.779 1.00 0.00 H new ATOM 73 N LEU A 5 7.162 7.211 3.503 1.00 0.00 N ATOM 74 CA LEU A 5 7.369 5.982 4.312 1.00 0.00 C ATOM 75 C LEU A 5 7.583 4.793 3.384 1.00 0.00 C ATOM 76 O LEU A 5 6.684 4.015 3.152 1.00 0.00 O ATOM 77 CB LEU A 5 6.144 5.738 5.180 1.00 0.00 C ATOM 78 CG LEU A 5 6.229 6.605 6.438 1.00 0.00 C ATOM 79 CD1 LEU A 5 4.882 6.585 7.163 1.00 0.00 C ATOM 80 CD2 LEU A 5 7.315 6.056 7.364 1.00 0.00 C ATOM 0 H LEU A 5 7.867 7.938 3.627 1.00 0.00 H new ATOM 0 HA LEU A 5 8.246 6.106 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.237 5.975 4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.084 4.685 5.455 1.00 0.00 H new ATOM 0 HG LEU A 5 6.475 7.629 6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.942 7.202 8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.108 6.977 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.635 5.561 7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.376 6.674 8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.070 5.032 7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.275 6.071 6.848 1.00 0.00 H new ATOM 92 N ASN A 6 8.760 4.643 2.842 1.00 0.00 N ATOM 93 CA ASN A 6 8.996 3.497 1.922 1.00 0.00 C ATOM 94 C ASN A 6 10.122 2.600 2.442 1.00 0.00 C ATOM 95 O ASN A 6 11.187 2.549 1.860 1.00 0.00 O ATOM 96 CB ASN A 6 9.363 4.015 0.529 1.00 0.00 C ATOM 97 CG ASN A 6 9.594 2.828 -0.416 1.00 0.00 C ATOM 98 OD1 ASN A 6 10.626 2.190 -0.365 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.672 2.507 -1.285 1.00 0.00 N ATOM 0 H ASN A 6 9.560 5.257 2.994 1.00 0.00 H new ATOM 0 HA ASN A 6 8.079 2.911 1.868 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.565 4.650 0.144 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.261 4.630 0.583 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.820 1.722 -1.919 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.805 3.042 -1.329 1.00 0.00 H new ATOM 106 N PRO A 7 9.839 1.881 3.498 1.00 0.00 N ATOM 107 CA PRO A 7 10.797 0.932 4.080 1.00 0.00 C ATOM 108 C PRO A 7 10.782 -0.318 3.205 1.00 0.00 C ATOM 109 O PRO A 7 11.762 -1.023 3.061 1.00 0.00 O ATOM 110 CB PRO A 7 10.228 0.647 5.472 1.00 0.00 C ATOM 111 CG PRO A 7 8.720 0.987 5.398 1.00 0.00 C ATOM 112 CD PRO A 7 8.544 1.945 4.205 1.00 0.00 C ATOM 0 HA PRO A 7 11.825 1.289 4.140 1.00 0.00 H new ATOM 0 HB2 PRO A 7 10.379 -0.397 5.748 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.727 1.253 6.228 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.125 0.084 5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.382 1.454 6.323 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.722 1.633 3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.321 2.959 4.537 1.00 0.00 H new ATOM 120 N HIS A 8 9.654 -0.560 2.597 1.00 0.00 N ATOM 121 CA HIS A 8 9.495 -1.722 1.686 1.00 0.00 C ATOM 122 C HIS A 8 8.139 -1.587 0.993 1.00 0.00 C ATOM 123 O HIS A 8 7.480 -2.555 0.673 1.00 0.00 O ATOM 124 CB HIS A 8 9.590 -3.041 2.484 1.00 0.00 C ATOM 125 CG HIS A 8 8.221 -3.506 2.921 1.00 0.00 C ATOM 126 ND1 HIS A 8 7.487 -4.430 2.191 1.00 0.00 N ATOM 127 CD2 HIS A 8 7.436 -3.172 3.998 1.00 0.00 C ATOM 128 CE1 HIS A 8 6.316 -4.615 2.827 1.00 0.00 C ATOM 129 NE2 HIS A 8 6.234 -3.874 3.936 1.00 0.00 N ATOM 0 H HIS A 8 8.817 0.015 2.698 1.00 0.00 H new ATOM 0 HA HIS A 8 10.288 -1.741 0.939 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.061 -3.809 1.870 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.226 -2.897 3.358 1.00 0.00 H new ATOM 0 HD2 HIS A 8 7.709 -2.472 4.774 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.538 -5.281 2.483 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.457 -3.831 4.596 1.00 0.00 H new ATOM 137 N ASP A 9 7.721 -0.375 0.768 1.00 0.00 N ATOM 138 CA ASP A 9 6.405 -0.151 0.109 1.00 0.00 C ATOM 139 C ASP A 9 6.091 1.346 0.036 1.00 0.00 C ATOM 140 O ASP A 9 6.919 2.181 0.322 1.00 0.00 O ATOM 141 CB ASP A 9 5.315 -0.850 0.926 1.00 0.00 C ATOM 142 CG ASP A 9 5.572 -0.620 2.416 1.00 0.00 C ATOM 143 OD1 ASP A 9 5.793 0.521 2.790 1.00 0.00 O ATOM 144 OD2 ASP A 9 5.546 -1.587 3.158 1.00 0.00 O ATOM 0 H ASP A 9 8.234 0.472 1.012 1.00 0.00 H new ATOM 0 HA ASP A 9 6.441 -0.555 -0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.334 -0.463 0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.309 -1.918 0.707 1.00 0.00 H new ATOM 149 N THR A 10 4.887 1.682 -0.337 1.00 0.00 N ATOM 150 CA THR A 10 4.491 3.117 -0.432 1.00 0.00 C ATOM 151 C THR A 10 5.137 3.761 -1.661 1.00 0.00 C ATOM 152 O THR A 10 6.006 3.191 -2.288 1.00 0.00 O ATOM 153 CB THR A 10 4.935 3.850 0.830 1.00 0.00 C ATOM 154 OG1 THR A 10 5.163 2.899 1.862 1.00 0.00 O ATOM 155 CG2 THR A 10 3.837 4.819 1.257 1.00 0.00 C ATOM 0 H THR A 10 4.153 1.018 -0.583 1.00 0.00 H new ATOM 0 HA THR A 10 3.407 3.184 -0.529 1.00 0.00 H new ATOM 0 HB THR A 10 5.853 4.405 0.637 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.528 3.353 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.148 5.347 2.159 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.657 5.539 0.459 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.921 4.264 1.459 1.00 0.00 H new ATOM 163 N GLN A 11 4.714 4.948 -2.015 1.00 0.00 N ATOM 164 CA GLN A 11 5.307 5.619 -3.200 1.00 0.00 C ATOM 165 C GLN A 11 4.965 7.120 -3.220 1.00 0.00 C ATOM 166 O GLN A 11 5.169 7.785 -4.215 1.00 0.00 O ATOM 167 CB GLN A 11 4.785 4.954 -4.480 1.00 0.00 C ATOM 168 CG GLN A 11 3.385 5.480 -4.813 1.00 0.00 C ATOM 169 CD GLN A 11 2.805 4.687 -5.986 1.00 0.00 C ATOM 170 OE1 GLN A 11 2.605 3.494 -5.887 1.00 0.00 O ATOM 171 NE2 GLN A 11 2.524 5.306 -7.100 1.00 0.00 N ATOM 0 H GLN A 11 3.986 5.476 -1.534 1.00 0.00 H new ATOM 0 HA GLN A 11 6.391 5.518 -3.144 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.465 5.157 -5.308 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.754 3.872 -4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.735 5.390 -3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.434 6.539 -5.066 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.692 6.309 -7.183 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.136 4.787 -7.888 1.00 0.00 H new ATOM 180 N THR A 12 4.464 7.667 -2.139 1.00 0.00 N ATOM 181 CA THR A 12 4.137 9.123 -2.129 1.00 0.00 C ATOM 182 C THR A 12 3.141 9.448 -3.247 1.00 0.00 C ATOM 183 O THR A 12 3.090 8.790 -4.266 1.00 0.00 O ATOM 184 CB THR A 12 5.423 9.917 -2.339 1.00 0.00 C ATOM 185 OG1 THR A 12 5.712 9.999 -3.728 1.00 0.00 O ATOM 186 CG2 THR A 12 6.571 9.218 -1.614 1.00 0.00 C ATOM 0 H THR A 12 4.269 7.170 -1.270 1.00 0.00 H new ATOM 0 HA THR A 12 3.686 9.389 -1.173 1.00 0.00 H new ATOM 0 HB THR A 12 5.300 10.924 -1.940 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.872 9.100 -4.082 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.492 9.782 -1.762 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.347 9.161 -0.549 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.694 8.211 -2.013 1.00 0.00 H new ATOM 194 N CYS A 13 2.345 10.464 -3.056 1.00 0.00 N ATOM 195 CA CYS A 13 1.350 10.846 -4.097 1.00 0.00 C ATOM 196 C CYS A 13 1.392 12.364 -4.287 1.00 0.00 C ATOM 197 O CYS A 13 0.492 13.065 -3.868 1.00 0.00 O ATOM 198 CB CYS A 13 -0.048 10.424 -3.639 1.00 0.00 C ATOM 199 SG CYS A 13 -1.297 11.176 -4.713 1.00 0.00 S ATOM 0 H CYS A 13 2.341 11.048 -2.220 1.00 0.00 H new ATOM 0 HA CYS A 13 1.585 10.350 -5.039 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.137 9.338 -3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.211 10.731 -2.606 1.00 0.00 H new ATOM 204 N PRO A 14 2.448 12.830 -4.902 1.00 0.00 N ATOM 205 CA PRO A 14 2.651 14.268 -5.150 1.00 0.00 C ATOM 206 C PRO A 14 1.771 14.741 -6.310 1.00 0.00 C ATOM 207 O PRO A 14 1.599 15.924 -6.530 1.00 0.00 O ATOM 208 CB PRO A 14 4.137 14.365 -5.510 1.00 0.00 C ATOM 209 CG PRO A 14 4.561 12.957 -5.992 1.00 0.00 C ATOM 210 CD PRO A 14 3.534 11.967 -5.412 1.00 0.00 C ATOM 0 HA PRO A 14 2.385 14.893 -4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.300 15.108 -6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.727 14.674 -4.647 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.575 12.908 -7.081 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.567 12.717 -5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.171 11.278 -6.174 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.969 11.362 -4.617 1.00 0.00 H new ATOM 218 N SER A 15 1.210 13.827 -7.055 1.00 0.00 N ATOM 219 CA SER A 15 0.342 14.226 -8.198 1.00 0.00 C ATOM 220 C SER A 15 -0.880 13.305 -8.259 1.00 0.00 C ATOM 221 O SER A 15 -0.755 12.099 -8.338 1.00 0.00 O ATOM 222 CB SER A 15 1.132 14.109 -9.502 1.00 0.00 C ATOM 223 OG SER A 15 2.298 14.918 -9.418 1.00 0.00 O ATOM 0 H SER A 15 1.316 12.821 -6.921 1.00 0.00 H new ATOM 0 HA SER A 15 0.014 15.256 -8.061 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.408 13.070 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.516 14.425 -10.344 1.00 0.00 H new ATOM 0 HG SER A 15 2.808 14.844 -10.252 1.00 0.00 H new ATOM 229 N GLY A 16 -2.060 13.862 -8.228 1.00 0.00 N ATOM 230 CA GLY A 16 -3.286 13.014 -8.288 1.00 0.00 C ATOM 231 C GLY A 16 -4.171 13.299 -7.074 1.00 0.00 C ATOM 232 O GLY A 16 -4.261 14.417 -6.607 1.00 0.00 O ATOM 0 H GLY A 16 -2.229 14.866 -8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.836 13.218 -9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.010 11.960 -8.309 1.00 0.00 H new ATOM 236 N GLN A 17 -4.828 12.295 -6.560 1.00 0.00 N ATOM 237 CA GLN A 17 -5.708 12.506 -5.376 1.00 0.00 C ATOM 238 C GLN A 17 -4.840 12.803 -4.149 1.00 0.00 C ATOM 239 O GLN A 17 -3.715 13.244 -4.269 1.00 0.00 O ATOM 240 CB GLN A 17 -6.538 11.242 -5.129 1.00 0.00 C ATOM 241 CG GLN A 17 -7.390 10.942 -6.364 1.00 0.00 C ATOM 242 CD GLN A 17 -8.867 11.166 -6.033 1.00 0.00 C ATOM 243 OE1 GLN A 17 -9.197 11.633 -4.961 1.00 0.00 O ATOM 244 NE2 GLN A 17 -9.777 10.849 -6.913 1.00 0.00 N ATOM 0 H GLN A 17 -4.793 11.337 -6.909 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.377 13.347 -5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.881 10.399 -4.914 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.178 11.379 -4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.090 11.586 -7.191 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.231 9.913 -6.687 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.501 10.457 -7.813 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.764 10.993 -6.701 1.00 0.00 H new ATOM 253 N GLU A 18 -5.350 12.567 -2.971 1.00 0.00 N ATOM 254 CA GLU A 18 -4.547 12.841 -1.747 1.00 0.00 C ATOM 255 C GLU A 18 -4.570 11.613 -0.832 1.00 0.00 C ATOM 256 O GLU A 18 -4.041 11.634 0.261 1.00 0.00 O ATOM 257 CB GLU A 18 -5.141 14.040 -1.005 1.00 0.00 C ATOM 258 CG GLU A 18 -6.488 13.645 -0.395 1.00 0.00 C ATOM 259 CD GLU A 18 -6.423 13.790 1.126 1.00 0.00 C ATOM 260 OE1 GLU A 18 -5.721 14.675 1.588 1.00 0.00 O ATOM 261 OE2 GLU A 18 -7.076 13.014 1.803 1.00 0.00 O ATOM 0 H GLU A 18 -6.286 12.197 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.518 13.062 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.458 14.372 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.271 14.877 -1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.280 14.276 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.733 12.617 -0.663 1.00 0.00 H new ATOM 268 N ILE A 19 -5.178 10.544 -1.270 1.00 0.00 N ATOM 269 CA ILE A 19 -5.230 9.320 -0.427 1.00 0.00 C ATOM 270 C ILE A 19 -4.199 8.319 -0.925 1.00 0.00 C ATOM 271 O ILE A 19 -3.764 8.361 -2.057 1.00 0.00 O ATOM 272 CB ILE A 19 -6.619 8.694 -0.527 1.00 0.00 C ATOM 273 CG1 ILE A 19 -7.685 9.812 -0.457 1.00 0.00 C ATOM 274 CG2 ILE A 19 -6.802 7.672 0.604 1.00 0.00 C ATOM 275 CD1 ILE A 19 -8.567 9.674 0.792 1.00 0.00 C ATOM 0 H ILE A 19 -5.641 10.467 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.018 9.585 0.609 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.732 8.170 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.193 10.785 -0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.309 9.777 -1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.793 7.225 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.045 6.893 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.698 8.172 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.304 10.477 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.079 8.712 0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.945 9.735 1.685 1.00 0.00 H new ATOM 287 N CYS A 20 -3.822 7.410 -0.084 1.00 0.00 N ATOM 288 CA CYS A 20 -2.828 6.380 -0.494 1.00 0.00 C ATOM 289 C CYS A 20 -3.395 4.996 -0.195 1.00 0.00 C ATOM 290 O CYS A 20 -3.801 4.705 0.912 1.00 0.00 O ATOM 291 CB CYS A 20 -1.511 6.556 0.277 1.00 0.00 C ATOM 292 SG CYS A 20 -1.096 8.312 0.421 1.00 0.00 S ATOM 0 H CYS A 20 -4.158 7.331 0.876 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.629 6.491 -1.560 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.601 6.114 1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.708 6.027 -0.236 1.00 0.00 H new ATOM 297 N TYR A 21 -3.404 4.125 -1.158 1.00 0.00 N ATOM 298 CA TYR A 21 -3.917 2.760 -0.891 1.00 0.00 C ATOM 299 C TYR A 21 -2.704 1.863 -0.686 1.00 0.00 C ATOM 300 O TYR A 21 -1.661 2.086 -1.266 1.00 0.00 O ATOM 301 CB TYR A 21 -4.764 2.262 -2.070 1.00 0.00 C ATOM 302 CG TYR A 21 -3.862 1.757 -3.166 1.00 0.00 C ATOM 303 CD1 TYR A 21 -3.270 0.493 -3.054 1.00 0.00 C ATOM 304 CD2 TYR A 21 -3.604 2.556 -4.284 1.00 0.00 C ATOM 305 CE1 TYR A 21 -2.421 0.028 -4.062 1.00 0.00 C ATOM 306 CE2 TYR A 21 -2.754 2.090 -5.293 1.00 0.00 C ATOM 307 CZ TYR A 21 -2.163 0.826 -5.180 1.00 0.00 C ATOM 308 OH TYR A 21 -1.323 0.366 -6.173 1.00 0.00 O ATOM 0 H TYR A 21 -3.081 4.297 -2.110 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.557 2.752 -0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.432 1.466 -1.740 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.392 3.070 -2.446 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.469 -0.122 -2.189 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.060 3.531 -4.369 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.965 -0.947 -3.977 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.554 2.705 -6.158 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.251 1.041 -6.879 1.00 0.00 H new ATOM 318 N VAL A 22 -2.810 0.866 0.133 1.00 0.00 N ATOM 319 CA VAL A 22 -1.628 -0.003 0.361 1.00 0.00 C ATOM 320 C VAL A 22 -1.899 -1.418 -0.156 1.00 0.00 C ATOM 321 O VAL A 22 -2.682 -2.156 0.405 1.00 0.00 O ATOM 322 CB VAL A 22 -1.301 -0.040 1.857 1.00 0.00 C ATOM 323 CG1 VAL A 22 -1.304 1.385 2.425 1.00 0.00 C ATOM 324 CG2 VAL A 22 -2.349 -0.873 2.590 1.00 0.00 C ATOM 0 H VAL A 22 -3.652 0.614 0.651 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.776 0.404 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.316 -0.485 1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.071 1.353 3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.555 1.985 1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.288 1.831 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.115 -0.898 3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.334 -0.428 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.348 -1.889 2.194 1.00 0.00 H new ATOM 334 N LYS A 23 -1.240 -1.805 -1.215 1.00 0.00 N ATOM 335 CA LYS A 23 -1.444 -3.177 -1.760 1.00 0.00 C ATOM 336 C LYS A 23 -0.208 -4.010 -1.439 1.00 0.00 C ATOM 337 O LYS A 23 0.908 -3.587 -1.661 1.00 0.00 O ATOM 338 CB LYS A 23 -1.639 -3.111 -3.276 1.00 0.00 C ATOM 339 CG LYS A 23 -1.646 -4.525 -3.861 1.00 0.00 C ATOM 340 CD LYS A 23 -1.274 -4.466 -5.344 1.00 0.00 C ATOM 341 CE LYS A 23 -2.516 -4.118 -6.168 1.00 0.00 C ATOM 342 NZ LYS A 23 -2.245 -4.381 -7.610 1.00 0.00 N ATOM 0 H LYS A 23 -0.570 -1.230 -1.726 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.330 -3.628 -1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.577 -2.607 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.840 -2.524 -3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.939 -5.156 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.631 -4.975 -3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.496 -3.719 -5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.867 -5.425 -5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.366 -4.712 -5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.781 -3.071 -6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.089 -4.145 -8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.445 -3.796 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.012 -5.386 -7.742 1.00 0.00 H new ATOM 356 N SER A 24 -0.390 -5.181 -0.902 1.00 0.00 N ATOM 357 CA SER A 24 0.792 -6.013 -0.559 1.00 0.00 C ATOM 358 C SER A 24 0.569 -7.465 -0.986 1.00 0.00 C ATOM 359 O SER A 24 -0.380 -8.107 -0.575 1.00 0.00 O ATOM 360 CB SER A 24 1.020 -5.958 0.951 1.00 0.00 C ATOM 361 OG SER A 24 1.571 -7.193 1.389 1.00 0.00 O ATOM 0 H SER A 24 -1.297 -5.595 -0.687 1.00 0.00 H new ATOM 0 HA SER A 24 1.664 -5.624 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.694 -5.138 1.199 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.079 -5.764 1.465 1.00 0.00 H new ATOM 0 HG SER A 24 1.720 -7.160 2.357 1.00 0.00 H new ATOM 367 N TRP A 25 1.445 -7.992 -1.802 1.00 0.00 N ATOM 368 CA TRP A 25 1.293 -9.414 -2.240 1.00 0.00 C ATOM 369 C TRP A 25 2.653 -10.117 -2.203 1.00 0.00 C ATOM 370 O TRP A 25 3.639 -9.622 -2.715 1.00 0.00 O ATOM 371 CB TRP A 25 0.737 -9.462 -3.658 1.00 0.00 C ATOM 372 CG TRP A 25 1.635 -8.705 -4.565 1.00 0.00 C ATOM 373 CD1 TRP A 25 2.490 -9.231 -5.468 1.00 0.00 C ATOM 374 CD2 TRP A 25 1.771 -7.281 -4.650 1.00 0.00 C ATOM 375 NE1 TRP A 25 3.129 -8.193 -6.128 1.00 0.00 N ATOM 376 CE2 TRP A 25 2.716 -6.963 -5.650 1.00 0.00 C ATOM 377 CE3 TRP A 25 1.153 -6.246 -3.955 1.00 0.00 C ATOM 378 CZ2 TRP A 25 3.033 -5.635 -5.947 1.00 0.00 C ATOM 379 CZ3 TRP A 25 1.462 -4.926 -4.236 1.00 0.00 C ATOM 380 CH2 TRP A 25 2.402 -4.608 -5.233 1.00 0.00 C ATOM 0 H TRP A 25 2.255 -7.503 -2.183 1.00 0.00 H new ATOM 0 HA TRP A 25 0.605 -9.921 -1.564 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.652 -10.496 -3.992 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.266 -9.036 -3.682 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.649 -10.284 -5.646 1.00 0.00 H new ATOM 0 HE1 TRP A 25 3.816 -8.320 -6.871 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.426 -6.474 -3.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 3.755 -5.403 -6.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 0.977 -4.134 -3.685 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.636 -3.576 -5.447 1.00 0.00 H new ATOM 391 N CYS A 26 2.706 -11.272 -1.595 1.00 0.00 N ATOM 392 CA CYS A 26 3.988 -12.030 -1.506 1.00 0.00 C ATOM 393 C CYS A 26 3.856 -13.321 -2.327 1.00 0.00 C ATOM 394 O CYS A 26 2.773 -13.703 -2.725 1.00 0.00 O ATOM 395 CB CYS A 26 4.257 -12.343 -0.018 1.00 0.00 C ATOM 396 SG CYS A 26 5.297 -13.820 0.178 1.00 0.00 S ATOM 0 H CYS A 26 1.908 -11.727 -1.152 1.00 0.00 H new ATOM 0 HA CYS A 26 4.821 -11.452 -1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.745 -11.489 0.452 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.310 -12.493 0.500 1.00 0.00 H new ATOM 401 N ASN A 27 4.943 -14.000 -2.581 1.00 0.00 N ATOM 402 CA ASN A 27 4.865 -15.262 -3.367 1.00 0.00 C ATOM 403 C ASN A 27 4.879 -16.450 -2.396 1.00 0.00 C ATOM 404 O ASN A 27 4.256 -16.408 -1.354 1.00 0.00 O ATOM 405 CB ASN A 27 6.068 -15.348 -4.310 1.00 0.00 C ATOM 406 CG ASN A 27 5.684 -16.136 -5.563 1.00 0.00 C ATOM 407 OD1 ASN A 27 5.991 -17.306 -5.677 1.00 0.00 O ATOM 408 ND2 ASN A 27 5.020 -15.540 -6.516 1.00 0.00 N ATOM 0 H ASN A 27 5.880 -13.734 -2.278 1.00 0.00 H new ATOM 0 HA ASN A 27 3.948 -15.281 -3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.399 -14.347 -4.585 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.904 -15.833 -3.806 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.759 -16.057 -7.356 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.762 -14.558 -6.421 1.00 0.00 H new ATOM 415 N ALA A 28 5.566 -17.513 -2.721 1.00 0.00 N ATOM 416 CA ALA A 28 5.581 -18.685 -1.798 1.00 0.00 C ATOM 417 C ALA A 28 6.881 -18.724 -1.006 1.00 0.00 C ATOM 418 O ALA A 28 7.044 -19.514 -0.099 1.00 0.00 O ATOM 419 CB ALA A 28 5.437 -19.977 -2.606 1.00 0.00 C ATOM 0 H ALA A 28 6.112 -17.620 -3.576 1.00 0.00 H new ATOM 0 HA ALA A 28 4.748 -18.591 -1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.448 -20.832 -1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.495 -19.960 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.265 -20.060 -3.310 1.00 0.00 H new ATOM 425 N TRP A 29 7.808 -17.890 -1.347 1.00 0.00 N ATOM 426 CA TRP A 29 9.103 -17.889 -0.626 1.00 0.00 C ATOM 427 C TRP A 29 9.651 -16.463 -0.523 1.00 0.00 C ATOM 428 O TRP A 29 10.847 -16.255 -0.461 1.00 0.00 O ATOM 429 CB TRP A 29 10.095 -18.755 -1.386 1.00 0.00 C ATOM 430 CG TRP A 29 9.705 -20.191 -1.282 1.00 0.00 C ATOM 431 CD1 TRP A 29 8.600 -20.768 -1.815 1.00 0.00 C ATOM 432 CD2 TRP A 29 10.426 -21.237 -0.608 1.00 0.00 C ATOM 433 NE1 TRP A 29 8.608 -22.117 -1.490 1.00 0.00 N ATOM 434 CE2 TRP A 29 9.722 -22.451 -0.744 1.00 0.00 C ATOM 435 CE3 TRP A 29 11.621 -21.228 0.104 1.00 0.00 C ATOM 436 CZ2 TRP A 29 10.203 -23.634 -0.179 1.00 0.00 C ATOM 437 CZ3 TRP A 29 12.118 -22.409 0.679 1.00 0.00 C ATOM 438 CH2 TRP A 29 11.407 -23.614 0.537 1.00 0.00 C ATOM 0 H TRP A 29 7.728 -17.204 -2.098 1.00 0.00 H new ATOM 0 HA TRP A 29 8.954 -18.284 0.379 1.00 0.00 H new ATOM 0 HB2 TRP A 29 10.126 -18.453 -2.433 1.00 0.00 H new ATOM 0 HB3 TRP A 29 11.098 -18.612 -0.983 1.00 0.00 H new ATOM 0 HD1 TRP A 29 7.842 -20.263 -2.395 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.883 -22.779 -1.767 1.00 0.00 H new ATOM 0 HE3 TRP A 29 12.171 -20.305 0.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.652 -24.556 -0.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 13.046 -22.392 1.230 1.00 0.00 H new ATOM 0 HH2 TRP A 29 11.789 -24.522 0.979 1.00 0.00 H new ATOM 449 N CYS A 30 8.795 -15.474 -0.508 1.00 0.00 N ATOM 450 CA CYS A 30 9.288 -14.066 -0.411 1.00 0.00 C ATOM 451 C CYS A 30 9.946 -13.796 0.945 1.00 0.00 C ATOM 452 O CYS A 30 10.322 -12.677 1.217 1.00 0.00 O ATOM 453 CB CYS A 30 8.135 -13.081 -0.594 1.00 0.00 C ATOM 454 SG CYS A 30 7.059 -13.113 0.865 1.00 0.00 S ATOM 0 H CYS A 30 7.782 -15.578 -0.558 1.00 0.00 H new ATOM 0 HA CYS A 30 10.026 -13.930 -1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.525 -12.075 -0.747 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.562 -13.339 -1.485 1.00 0.00 H new ATOM 459 N SER A 31 10.077 -14.786 1.799 1.00 0.00 N ATOM 460 CA SER A 31 10.709 -14.546 3.133 1.00 0.00 C ATOM 461 C SER A 31 11.893 -13.597 2.955 1.00 0.00 C ATOM 462 O SER A 31 12.990 -14.006 2.633 1.00 0.00 O ATOM 463 CB SER A 31 11.200 -15.876 3.708 1.00 0.00 C ATOM 464 OG SER A 31 11.305 -15.767 5.122 1.00 0.00 O ATOM 0 H SER A 31 9.774 -15.745 1.629 1.00 0.00 H new ATOM 0 HA SER A 31 9.983 -14.105 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.509 -16.677 3.444 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.168 -16.136 3.279 1.00 0.00 H new ATOM 0 HG SER A 31 11.618 -16.618 5.493 1.00 0.00 H new ATOM 470 N SER A 32 11.660 -12.325 3.128 1.00 0.00 N ATOM 471 CA SER A 32 12.745 -11.330 2.932 1.00 0.00 C ATOM 472 C SER A 32 13.517 -11.691 1.678 1.00 0.00 C ATOM 473 O SER A 32 14.674 -12.064 1.714 1.00 0.00 O ATOM 474 CB SER A 32 13.685 -11.329 4.119 1.00 0.00 C ATOM 475 OG SER A 32 12.935 -11.200 5.320 1.00 0.00 O ATOM 0 H SER A 32 10.758 -11.933 3.398 1.00 0.00 H new ATOM 0 HA SER A 32 12.308 -10.336 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.265 -12.252 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.396 -10.507 4.032 1.00 0.00 H new ATOM 0 HG SER A 32 13.544 -11.201 6.088 1.00 0.00 H new ATOM 481 N ARG A 33 12.868 -11.580 0.574 1.00 0.00 N ATOM 482 CA ARG A 33 13.520 -11.910 -0.724 1.00 0.00 C ATOM 483 C ARG A 33 13.205 -10.816 -1.750 1.00 0.00 C ATOM 484 O ARG A 33 13.898 -9.822 -1.840 1.00 0.00 O ATOM 485 CB ARG A 33 12.999 -13.260 -1.226 1.00 0.00 C ATOM 486 CG ARG A 33 13.616 -13.573 -2.590 1.00 0.00 C ATOM 487 CD ARG A 33 14.277 -14.951 -2.548 1.00 0.00 C ATOM 488 NE ARG A 33 15.646 -14.867 -3.129 1.00 0.00 N ATOM 489 CZ ARG A 33 16.640 -14.439 -2.399 1.00 0.00 C ATOM 490 NH1 ARG A 33 16.903 -15.008 -1.254 1.00 0.00 N ATOM 491 NH2 ARG A 33 17.374 -13.443 -2.814 1.00 0.00 N ATOM 0 H ARG A 33 11.899 -11.271 0.502 1.00 0.00 H new ATOM 0 HA ARG A 33 14.600 -11.969 -0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.250 -14.046 -0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 33 11.912 -13.235 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.847 -13.550 -3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.352 -12.813 -2.851 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.329 -15.309 -1.520 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.678 -15.670 -3.106 1.00 0.00 H new ATOM 0 HE ARG A 33 15.807 -15.144 -4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.332 -15.788 -0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.680 -14.673 -0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 33 17.171 -12.998 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.150 -13.109 -2.243 1.00 0.00 H new ATOM 505 N GLY A 34 12.167 -10.987 -2.522 1.00 0.00 N ATOM 506 CA GLY A 34 11.815 -9.953 -3.535 1.00 0.00 C ATOM 507 C GLY A 34 10.372 -9.498 -3.317 1.00 0.00 C ATOM 508 O GLY A 34 9.646 -9.232 -4.254 1.00 0.00 O ATOM 0 H GLY A 34 11.548 -11.797 -2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.492 -9.103 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.932 -10.358 -4.540 1.00 0.00 H new ATOM 512 N LYS A 35 9.951 -9.408 -2.086 1.00 0.00 N ATOM 513 CA LYS A 35 8.555 -8.973 -1.804 1.00 0.00 C ATOM 514 C LYS A 35 8.214 -7.753 -2.661 1.00 0.00 C ATOM 515 O LYS A 35 8.961 -6.797 -2.723 1.00 0.00 O ATOM 516 CB LYS A 35 8.425 -8.605 -0.325 1.00 0.00 C ATOM 517 CG LYS A 35 7.635 -9.692 0.407 1.00 0.00 C ATOM 518 CD LYS A 35 8.350 -10.050 1.711 1.00 0.00 C ATOM 519 CE LYS A 35 8.313 -8.850 2.659 1.00 0.00 C ATOM 520 NZ LYS A 35 9.592 -8.776 3.420 1.00 0.00 N ATOM 0 H LYS A 35 10.515 -9.617 -1.262 1.00 0.00 H new ATOM 0 HA LYS A 35 7.869 -9.786 -2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.413 -8.497 0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.922 -7.644 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.624 -9.343 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.542 -10.576 -0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.870 -10.910 2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.382 -10.334 1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.161 -7.931 2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.473 -8.943 3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.566 -7.960 4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.719 -9.649 3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.385 -8.668 2.756 1.00 0.00 H new ATOM 534 N VAL A 36 7.084 -7.772 -3.312 1.00 0.00 N ATOM 535 CA VAL A 36 6.685 -6.611 -4.154 1.00 0.00 C ATOM 536 C VAL A 36 5.534 -5.895 -3.454 1.00 0.00 C ATOM 537 O VAL A 36 4.397 -5.981 -3.862 1.00 0.00 O ATOM 538 CB VAL A 36 6.219 -7.091 -5.536 1.00 0.00 C ATOM 539 CG1 VAL A 36 6.857 -6.219 -6.619 1.00 0.00 C ATOM 540 CG2 VAL A 36 6.630 -8.553 -5.756 1.00 0.00 C ATOM 0 H VAL A 36 6.418 -8.544 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 36 7.534 -5.941 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 36 5.133 -7.014 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.527 -6.559 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.557 -5.181 -6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.942 -6.295 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.294 -8.881 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.715 -8.639 -5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.174 -9.179 -4.989 1.00 0.00 H new ATOM 550 N LEU A 37 5.812 -5.225 -2.376 1.00 0.00 N ATOM 551 CA LEU A 37 4.732 -4.547 -1.629 1.00 0.00 C ATOM 552 C LEU A 37 4.908 -3.028 -1.680 1.00 0.00 C ATOM 553 O LEU A 37 5.865 -2.494 -1.166 1.00 0.00 O ATOM 554 CB LEU A 37 4.817 -5.019 -0.184 1.00 0.00 C ATOM 555 CG LEU A 37 4.146 -6.388 -0.048 1.00 0.00 C ATOM 556 CD1 LEU A 37 4.566 -7.300 -1.207 1.00 0.00 C ATOM 557 CD2 LEU A 37 4.555 -7.028 1.276 1.00 0.00 C ATOM 0 H LEU A 37 6.746 -5.119 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 37 3.764 -4.787 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.860 -5.082 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.331 -4.298 0.473 1.00 0.00 H new ATOM 0 HG LEU A 37 3.064 -6.256 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.083 -8.271 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.266 -6.848 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.648 -7.430 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.077 -8.003 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.638 -7.151 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.243 -6.388 2.101 1.00 0.00 H new ATOM 569 N GLU A 38 3.977 -2.328 -2.281 1.00 0.00 N ATOM 570 CA GLU A 38 4.067 -0.835 -2.337 1.00 0.00 C ATOM 571 C GLU A 38 2.670 -0.244 -2.155 1.00 0.00 C ATOM 572 O GLU A 38 1.675 -0.943 -2.183 1.00 0.00 O ATOM 573 CB GLU A 38 4.635 -0.363 -3.677 1.00 0.00 C ATOM 574 CG GLU A 38 4.528 -1.477 -4.721 1.00 0.00 C ATOM 575 CD GLU A 38 5.347 -1.100 -5.956 1.00 0.00 C ATOM 576 OE1 GLU A 38 5.387 0.075 -6.279 1.00 0.00 O ATOM 577 OE2 GLU A 38 5.921 -1.993 -6.558 1.00 0.00 O ATOM 0 H GLU A 38 3.156 -2.727 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 38 4.734 -0.501 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.093 0.519 -4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.677 -0.069 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.891 -2.417 -4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.485 -1.632 -4.997 1.00 0.00 H new ATOM 584 N PHE A 39 2.593 1.045 -1.995 1.00 0.00 N ATOM 585 CA PHE A 39 1.280 1.712 -1.831 1.00 0.00 C ATOM 586 C PHE A 39 1.240 2.912 -2.781 1.00 0.00 C ATOM 587 O PHE A 39 2.227 3.595 -2.961 1.00 0.00 O ATOM 588 CB PHE A 39 1.109 2.180 -0.378 1.00 0.00 C ATOM 589 CG PHE A 39 1.688 1.148 0.566 1.00 0.00 C ATOM 590 CD1 PHE A 39 1.386 -0.211 0.395 1.00 0.00 C ATOM 591 CD2 PHE A 39 2.521 1.551 1.618 1.00 0.00 C ATOM 592 CE1 PHE A 39 1.918 -1.165 1.272 1.00 0.00 C ATOM 593 CE2 PHE A 39 3.052 0.596 2.497 1.00 0.00 C ATOM 594 CZ PHE A 39 2.750 -0.762 2.323 1.00 0.00 C ATOM 0 H PHE A 39 3.397 1.672 -1.971 1.00 0.00 H new ATOM 0 HA PHE A 39 0.470 1.021 -2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.608 3.138 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.053 2.335 -0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.742 -0.522 -0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.754 2.597 1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.686 -2.211 1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.694 0.907 3.308 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.159 -1.497 3.000 1.00 0.00 H new ATOM 604 N GLY A 40 0.126 3.164 -3.414 1.00 0.00 N ATOM 605 CA GLY A 40 0.072 4.308 -4.370 1.00 0.00 C ATOM 606 C GLY A 40 -0.903 5.378 -3.883 1.00 0.00 C ATOM 607 O GLY A 40 -1.144 5.532 -2.701 1.00 0.00 O ATOM 0 H GLY A 40 -0.740 2.634 -3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.066 4.740 -4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.234 3.951 -5.353 1.00 0.00 H new ATOM 611 N CYS A 41 -1.464 6.124 -4.798 1.00 0.00 N ATOM 612 CA CYS A 41 -2.418 7.192 -4.423 1.00 0.00 C ATOM 613 C CYS A 41 -3.827 6.647 -4.574 1.00 0.00 C ATOM 614 O CYS A 41 -4.035 5.513 -4.950 1.00 0.00 O ATOM 615 CB CYS A 41 -2.228 8.381 -5.367 1.00 0.00 C ATOM 616 SG CYS A 41 -2.859 9.903 -4.615 1.00 0.00 S ATOM 0 H CYS A 41 -1.295 6.032 -5.800 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.249 7.513 -3.395 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.171 8.498 -5.604 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.746 8.192 -6.307 1.00 0.00 H new ATOM 621 N ALA A 42 -4.790 7.447 -4.284 1.00 0.00 N ATOM 622 CA ALA A 42 -6.200 6.990 -4.400 1.00 0.00 C ATOM 623 C ALA A 42 -7.137 8.045 -3.822 1.00 0.00 C ATOM 624 O ALA A 42 -6.720 9.093 -3.370 1.00 0.00 O ATOM 625 CB ALA A 42 -6.372 5.681 -3.628 1.00 0.00 C ATOM 0 H ALA A 42 -4.671 8.409 -3.968 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.442 6.833 -5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.405 5.343 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.708 4.923 -4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.126 5.843 -2.578 1.00 0.00 H new ATOM 631 N ALA A 43 -8.405 7.766 -3.840 1.00 0.00 N ATOM 632 CA ALA A 43 -9.402 8.725 -3.305 1.00 0.00 C ATOM 633 C ALA A 43 -10.018 8.159 -2.023 1.00 0.00 C ATOM 634 O ALA A 43 -10.176 8.855 -1.040 1.00 0.00 O ATOM 635 CB ALA A 43 -10.500 8.943 -4.346 1.00 0.00 C ATOM 0 H ALA A 43 -8.799 6.900 -4.209 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.915 9.674 -3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.235 9.647 -3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.061 9.344 -5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.988 7.993 -4.565 1.00 0.00 H new ATOM 641 N THR A 44 -10.372 6.901 -2.023 1.00 0.00 N ATOM 642 CA THR A 44 -10.978 6.301 -0.803 1.00 0.00 C ATOM 643 C THR A 44 -10.505 4.853 -0.645 1.00 0.00 C ATOM 644 O THR A 44 -10.306 4.142 -1.609 1.00 0.00 O ATOM 645 CB THR A 44 -12.504 6.331 -0.924 1.00 0.00 C ATOM 646 OG1 THR A 44 -13.083 5.916 0.305 1.00 0.00 O ATOM 647 CG2 THR A 44 -12.948 5.389 -2.044 1.00 0.00 C ATOM 0 H THR A 44 -10.267 6.266 -2.814 1.00 0.00 H new ATOM 0 HA THR A 44 -10.670 6.875 0.071 1.00 0.00 H new ATOM 0 HB THR A 44 -12.831 7.345 -1.156 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.060 5.936 0.230 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.034 5.411 -2.129 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.504 5.709 -2.986 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.623 4.374 -1.816 1.00 0.00 H new ATOM 655 N CYS A 45 -10.323 4.425 0.573 1.00 0.00 N ATOM 656 CA CYS A 45 -9.862 3.046 0.848 1.00 0.00 C ATOM 657 C CYS A 45 -10.496 2.054 -0.143 1.00 0.00 C ATOM 658 O CYS A 45 -11.699 2.049 -0.308 1.00 0.00 O ATOM 659 CB CYS A 45 -10.287 2.688 2.269 1.00 0.00 C ATOM 660 SG CYS A 45 -9.497 1.146 2.782 1.00 0.00 S ATOM 0 H CYS A 45 -10.480 4.992 1.406 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.779 2.989 0.738 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.013 3.491 2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.371 2.584 2.318 1.00 0.00 H new ATOM 665 N PRO A 46 -9.679 1.233 -0.771 1.00 0.00 N ATOM 666 CA PRO A 46 -10.158 0.232 -1.737 1.00 0.00 C ATOM 667 C PRO A 46 -10.583 -1.047 -1.009 1.00 0.00 C ATOM 668 O PRO A 46 -9.946 -1.478 -0.069 1.00 0.00 O ATOM 669 CB PRO A 46 -8.936 -0.021 -2.623 1.00 0.00 C ATOM 670 CG PRO A 46 -7.695 0.414 -1.805 1.00 0.00 C ATOM 671 CD PRO A 46 -8.210 1.221 -0.598 1.00 0.00 C ATOM 0 HA PRO A 46 -11.028 0.561 -2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.869 -1.074 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.006 0.547 -3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.128 -0.456 -1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.024 1.019 -2.415 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.924 0.755 0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.801 2.231 -0.591 1.00 0.00 H new ATOM 679 N SER A 47 -11.656 -1.656 -1.434 1.00 0.00 N ATOM 680 CA SER A 47 -12.119 -2.904 -0.762 1.00 0.00 C ATOM 681 C SER A 47 -11.935 -4.095 -1.704 1.00 0.00 C ATOM 682 O SER A 47 -12.829 -4.897 -1.887 1.00 0.00 O ATOM 683 CB SER A 47 -13.599 -2.765 -0.401 1.00 0.00 C ATOM 684 OG SER A 47 -14.229 -1.889 -1.326 1.00 0.00 O ATOM 0 H SER A 47 -12.232 -1.344 -2.216 1.00 0.00 H new ATOM 0 HA SER A 47 -11.534 -3.067 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.083 -3.742 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.703 -2.378 0.613 1.00 0.00 H new ATOM 0 HG SER A 47 -15.178 -1.800 -1.098 1.00 0.00 H new ATOM 690 N VAL A 48 -10.782 -4.220 -2.303 1.00 0.00 N ATOM 691 CA VAL A 48 -10.545 -5.361 -3.230 1.00 0.00 C ATOM 692 C VAL A 48 -9.520 -6.319 -2.619 1.00 0.00 C ATOM 693 O VAL A 48 -8.368 -6.337 -3.003 1.00 0.00 O ATOM 694 CB VAL A 48 -10.018 -4.836 -4.555 1.00 0.00 C ATOM 695 CG1 VAL A 48 -9.908 -5.986 -5.557 1.00 0.00 C ATOM 696 CG2 VAL A 48 -10.971 -3.770 -5.100 1.00 0.00 C ATOM 0 H VAL A 48 -9.995 -3.581 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.483 -5.892 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.033 -4.396 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.530 -5.607 -6.506 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.224 -6.742 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.891 -6.431 -5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.592 -3.394 -6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.958 -4.207 -5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.043 -2.948 -4.388 1.00 0.00 H new ATOM 706 N ASN A 49 -9.929 -7.113 -1.667 1.00 0.00 N ATOM 707 CA ASN A 49 -8.985 -8.062 -1.031 1.00 0.00 C ATOM 708 C ASN A 49 -8.947 -9.373 -1.822 1.00 0.00 C ATOM 709 O ASN A 49 -8.666 -10.425 -1.282 1.00 0.00 O ATOM 710 CB ASN A 49 -9.433 -8.345 0.404 1.00 0.00 C ATOM 711 CG ASN A 49 -8.360 -9.164 1.122 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.430 -10.377 1.164 1.00 0.00 O ATOM 713 ND2 ASN A 49 -7.360 -8.549 1.693 1.00 0.00 N ATOM 0 H ASN A 49 -10.882 -7.142 -1.304 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.988 -7.621 -1.023 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.605 -7.408 0.934 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.378 -8.888 0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.638 -9.086 2.174 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.300 -7.531 1.658 1.00 0.00 H new ATOM 720 N THR A 50 -9.224 -9.322 -3.097 1.00 0.00 N ATOM 721 CA THR A 50 -9.200 -10.568 -3.914 1.00 0.00 C ATOM 722 C THR A 50 -7.762 -11.086 -4.008 1.00 0.00 C ATOM 723 O THR A 50 -7.025 -10.734 -4.907 1.00 0.00 O ATOM 724 CB THR A 50 -9.727 -10.268 -5.319 1.00 0.00 C ATOM 725 OG1 THR A 50 -9.705 -11.457 -6.096 1.00 0.00 O ATOM 726 CG2 THR A 50 -8.846 -9.208 -5.981 1.00 0.00 C ATOM 0 H THR A 50 -9.465 -8.472 -3.607 1.00 0.00 H new ATOM 0 HA THR A 50 -9.830 -11.324 -3.444 1.00 0.00 H new ATOM 0 HB THR A 50 -10.750 -9.897 -5.251 1.00 0.00 H new ATOM 0 HG1 THR A 50 -10.044 -11.266 -6.996 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.222 -8.995 -6.982 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.864 -8.296 -5.385 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.822 -9.576 -6.049 1.00 0.00 H new ATOM 734 N GLY A 51 -7.356 -11.913 -3.084 1.00 0.00 N ATOM 735 CA GLY A 51 -5.964 -12.443 -3.121 1.00 0.00 C ATOM 736 C GLY A 51 -4.980 -11.273 -3.110 1.00 0.00 C ATOM 737 O GLY A 51 -3.823 -11.416 -3.451 1.00 0.00 O ATOM 0 H GLY A 51 -7.927 -12.244 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.786 -13.091 -2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.817 -13.049 -4.015 1.00 0.00 H new ATOM 741 N THR A 52 -5.436 -10.113 -2.721 1.00 0.00 N ATOM 742 CA THR A 52 -4.536 -8.927 -2.687 1.00 0.00 C ATOM 743 C THR A 52 -4.672 -8.230 -1.331 1.00 0.00 C ATOM 744 O THR A 52 -5.763 -7.993 -0.854 1.00 0.00 O ATOM 745 CB THR A 52 -4.937 -7.960 -3.802 1.00 0.00 C ATOM 746 OG1 THR A 52 -4.555 -8.504 -5.058 1.00 0.00 O ATOM 747 CG2 THR A 52 -4.239 -6.617 -3.593 1.00 0.00 C ATOM 0 H THR A 52 -6.396 -9.936 -2.425 1.00 0.00 H new ATOM 0 HA THR A 52 -3.503 -9.242 -2.832 1.00 0.00 H new ATOM 0 HB THR A 52 -6.017 -7.811 -3.782 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.813 -7.886 -5.774 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.526 -5.930 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.533 -6.200 -2.630 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.159 -6.762 -3.611 1.00 0.00 H new ATOM 755 N GLU A 53 -3.575 -7.906 -0.699 1.00 0.00 N ATOM 756 CA GLU A 53 -3.657 -7.234 0.626 1.00 0.00 C ATOM 757 C GLU A 53 -3.828 -5.723 0.437 1.00 0.00 C ATOM 758 O GLU A 53 -2.884 -4.967 0.540 1.00 0.00 O ATOM 759 CB GLU A 53 -2.374 -7.504 1.415 1.00 0.00 C ATOM 760 CG GLU A 53 -2.007 -8.985 1.301 1.00 0.00 C ATOM 761 CD GLU A 53 -2.967 -9.816 2.153 1.00 0.00 C ATOM 762 OE1 GLU A 53 -3.433 -9.302 3.156 1.00 0.00 O ATOM 763 OE2 GLU A 53 -3.219 -10.952 1.789 1.00 0.00 O ATOM 0 H GLU A 53 -2.630 -8.078 -1.043 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.515 -7.627 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.562 -6.887 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.514 -7.233 2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.059 -9.304 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.981 -9.143 1.632 1.00 0.00 H new ATOM 770 N ILE A 54 -5.026 -5.273 0.171 1.00 0.00 N ATOM 771 CA ILE A 54 -5.236 -3.809 -0.011 1.00 0.00 C ATOM 772 C ILE A 54 -5.803 -3.224 1.287 1.00 0.00 C ATOM 773 O ILE A 54 -6.493 -3.894 2.030 1.00 0.00 O ATOM 774 CB ILE A 54 -6.186 -3.559 -1.209 1.00 0.00 C ATOM 775 CG1 ILE A 54 -5.568 -2.497 -2.119 1.00 0.00 C ATOM 776 CG2 ILE A 54 -7.576 -3.084 -0.763 1.00 0.00 C ATOM 777 CD1 ILE A 54 -6.346 -2.438 -3.435 1.00 0.00 C ATOM 0 H ILE A 54 -5.861 -5.851 0.073 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.289 -3.315 -0.231 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.312 -4.505 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.590 -1.524 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.522 -2.733 -2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.204 -2.923 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.032 -3.841 -0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.481 -2.151 -0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.906 -1.681 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.301 -3.409 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.386 -2.182 -3.232 1.00 0.00 H new ATOM 789 N LYS A 55 -5.520 -1.986 1.563 1.00 0.00 N ATOM 790 CA LYS A 55 -6.045 -1.367 2.809 1.00 0.00 C ATOM 791 C LYS A 55 -6.051 0.154 2.660 1.00 0.00 C ATOM 792 O LYS A 55 -5.785 0.688 1.600 1.00 0.00 O ATOM 793 CB LYS A 55 -5.161 -1.765 3.993 1.00 0.00 C ATOM 794 CG LYS A 55 -5.666 -3.083 4.579 1.00 0.00 C ATOM 795 CD LYS A 55 -5.183 -3.219 6.024 1.00 0.00 C ATOM 796 CE LYS A 55 -4.359 -4.500 6.169 1.00 0.00 C ATOM 797 NZ LYS A 55 -2.913 -4.153 6.261 1.00 0.00 N ATOM 0 H LYS A 55 -4.948 -1.375 0.981 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.062 -1.717 2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.126 -1.871 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.179 -0.985 4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.755 -3.115 4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.303 -3.921 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.581 -2.353 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.036 -3.244 6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.670 -5.046 7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.533 -5.156 5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.371 -4.994 6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.576 -3.820 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.781 -3.402 6.968 1.00 0.00 H new ATOM 811 N CYS A 56 -6.360 0.851 3.717 1.00 0.00 N ATOM 812 CA CYS A 56 -6.403 2.339 3.650 1.00 0.00 C ATOM 813 C CYS A 56 -5.136 2.905 4.287 1.00 0.00 C ATOM 814 O CYS A 56 -4.670 2.420 5.298 1.00 0.00 O ATOM 815 CB CYS A 56 -7.627 2.870 4.415 1.00 0.00 C ATOM 816 SG CYS A 56 -8.853 1.551 4.650 1.00 0.00 S ATOM 0 H CYS A 56 -6.586 0.453 4.629 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.471 2.646 2.606 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.316 3.262 5.383 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -8.076 3.698 3.865 1.00 0.00 H new ATOM 821 N CYS A 57 -4.568 3.924 3.702 1.00 0.00 N ATOM 822 CA CYS A 57 -3.328 4.503 4.283 1.00 0.00 C ATOM 823 C CYS A 57 -3.105 5.913 3.746 1.00 0.00 C ATOM 824 O CYS A 57 -3.246 6.176 2.570 1.00 0.00 O ATOM 825 CB CYS A 57 -2.134 3.637 3.889 1.00 0.00 C ATOM 826 SG CYS A 57 -0.602 4.432 4.435 1.00 0.00 S ATOM 0 H CYS A 57 -4.907 4.377 2.853 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.430 4.538 5.368 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.224 2.649 4.340 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.116 3.494 2.809 1.00 0.00 H new ATOM 831 N SER A 58 -2.743 6.822 4.597 1.00 0.00 N ATOM 832 CA SER A 58 -2.491 8.203 4.122 1.00 0.00 C ATOM 833 C SER A 58 -1.238 8.756 4.792 1.00 0.00 C ATOM 834 O SER A 58 -0.853 9.888 4.574 1.00 0.00 O ATOM 835 CB SER A 58 -3.692 9.091 4.449 1.00 0.00 C ATOM 836 OG SER A 58 -3.857 9.157 5.860 1.00 0.00 O ATOM 0 H SER A 58 -2.611 6.671 5.597 1.00 0.00 H new ATOM 0 HA SER A 58 -2.343 8.190 3.042 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.541 10.091 4.042 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.593 8.690 3.984 1.00 0.00 H new ATOM 0 HG SER A 58 -4.625 9.727 6.073 1.00 0.00 H new ATOM 842 N ALA A 59 -0.594 7.967 5.603 1.00 0.00 N ATOM 843 CA ALA A 59 0.639 8.457 6.278 1.00 0.00 C ATOM 844 C ALA A 59 1.397 7.263 6.860 1.00 0.00 C ATOM 845 O ALA A 59 1.876 6.409 6.140 1.00 0.00 O ATOM 846 CB ALA A 59 0.247 9.432 7.387 1.00 0.00 C ATOM 0 H ALA A 59 -0.865 7.010 5.827 1.00 0.00 H new ATOM 0 HA ALA A 59 1.283 8.972 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.145 9.795 7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.295 10.274 6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.390 8.923 8.111 1.00 0.00 H new ATOM 852 N ASP A 60 1.478 7.178 8.162 1.00 0.00 N ATOM 853 CA ASP A 60 2.164 6.025 8.793 1.00 0.00 C ATOM 854 C ASP A 60 1.086 5.019 9.171 1.00 0.00 C ATOM 855 O ASP A 60 1.167 4.336 10.172 1.00 0.00 O ATOM 856 CB ASP A 60 2.914 6.484 10.044 1.00 0.00 C ATOM 857 CG ASP A 60 3.658 5.296 10.659 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.798 5.079 10.285 1.00 0.00 O ATOM 859 OD2 ASP A 60 3.072 4.623 11.491 1.00 0.00 O ATOM 0 H ASP A 60 1.095 7.863 8.813 1.00 0.00 H new ATOM 0 HA ASP A 60 2.889 5.581 8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.619 7.275 9.788 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.214 6.902 10.767 1.00 0.00 H new ATOM 864 N LYS A 61 0.069 4.942 8.362 1.00 0.00 N ATOM 865 CA LYS A 61 -1.044 4.006 8.633 1.00 0.00 C ATOM 866 C LYS A 61 -0.977 2.852 7.633 1.00 0.00 C ATOM 867 O LYS A 61 -1.764 1.928 7.679 1.00 0.00 O ATOM 868 CB LYS A 61 -2.377 4.748 8.480 1.00 0.00 C ATOM 869 CG LYS A 61 -3.523 3.740 8.358 1.00 0.00 C ATOM 870 CD LYS A 61 -4.861 4.478 8.431 1.00 0.00 C ATOM 871 CE LYS A 61 -5.664 3.965 9.627 1.00 0.00 C ATOM 872 NZ LYS A 61 -7.111 4.260 9.419 1.00 0.00 N ATOM 0 H LYS A 61 -0.036 5.498 7.513 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.965 3.615 9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.542 5.398 9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.348 5.388 7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.446 3.198 7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.459 3.002 9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.692 5.551 8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.423 4.325 7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.514 2.892 9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.314 4.439 10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.657 3.911 10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.246 5.287 9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.441 3.788 8.553 1.00 0.00 H new ATOM 886 N CYS A 62 -0.039 2.903 6.727 1.00 0.00 N ATOM 887 CA CYS A 62 0.084 1.816 5.722 1.00 0.00 C ATOM 888 C CYS A 62 0.266 0.474 6.435 1.00 0.00 C ATOM 889 O CYS A 62 0.049 -0.578 5.865 1.00 0.00 O ATOM 890 CB CYS A 62 1.293 2.089 4.824 1.00 0.00 C ATOM 891 SG CYS A 62 0.864 3.334 3.578 1.00 0.00 S ATOM 0 H CYS A 62 0.647 3.653 6.641 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.820 1.780 5.114 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.133 2.437 5.425 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.611 1.167 4.336 1.00 0.00 H new ATOM 896 N ASN A 63 0.660 0.499 7.678 1.00 0.00 N ATOM 897 CA ASN A 63 0.853 -0.771 8.425 1.00 0.00 C ATOM 898 C ASN A 63 -0.314 -0.976 9.394 1.00 0.00 C ATOM 899 O ASN A 63 -0.243 -0.612 10.551 1.00 0.00 O ATOM 900 CB ASN A 63 2.165 -0.710 9.212 1.00 0.00 C ATOM 901 CG ASN A 63 2.260 0.630 9.942 1.00 0.00 C ATOM 902 OD1 ASN A 63 2.591 1.637 9.348 1.00 0.00 O ATOM 903 ND2 ASN A 63 1.984 0.686 11.216 1.00 0.00 N ATOM 0 H ASN A 63 0.857 1.348 8.208 1.00 0.00 H new ATOM 0 HA ASN A 63 0.892 -1.602 7.721 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.210 -1.530 9.928 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.012 -0.829 8.537 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.046 1.575 11.713 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.706 -0.159 11.715 1.00 0.00 H new ATOM 910 N THR A 64 -1.389 -1.552 8.930 1.00 0.00 N ATOM 911 CA THR A 64 -2.559 -1.776 9.827 1.00 0.00 C ATOM 912 C THR A 64 -3.116 -3.184 9.612 1.00 0.00 C ATOM 913 O THR A 64 -4.087 -3.376 8.906 1.00 0.00 O ATOM 914 CB THR A 64 -3.640 -0.748 9.518 1.00 0.00 C ATOM 915 OG1 THR A 64 -3.189 0.125 8.491 1.00 0.00 O ATOM 916 CG2 THR A 64 -3.921 0.047 10.787 1.00 0.00 C ATOM 0 H THR A 64 -1.508 -1.877 7.970 1.00 0.00 H new ATOM 0 HA THR A 64 -2.242 -1.671 10.864 1.00 0.00 H new ATOM 0 HB THR A 64 -4.549 -1.246 9.180 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.458 0.681 8.832 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.693 0.790 10.587 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.261 -0.629 11.572 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.010 0.549 11.111 1.00 0.00 H new ATOM 924 N TYR A 65 -2.507 -4.173 10.209 1.00 0.00 N ATOM 925 CA TYR A 65 -2.993 -5.560 10.036 1.00 0.00 C ATOM 926 C TYR A 65 -4.513 -5.626 10.242 1.00 0.00 C ATOM 927 O TYR A 65 -5.209 -6.227 9.448 1.00 0.00 O ATOM 928 CB TYR A 65 -2.293 -6.493 11.031 1.00 0.00 C ATOM 929 CG TYR A 65 -2.393 -7.917 10.538 1.00 0.00 C ATOM 930 CD1 TYR A 65 -1.487 -8.393 9.581 1.00 0.00 C ATOM 931 CD2 TYR A 65 -3.392 -8.763 11.038 1.00 0.00 C ATOM 932 CE1 TYR A 65 -1.580 -9.714 9.124 1.00 0.00 C ATOM 933 CE2 TYR A 65 -3.485 -10.084 10.581 1.00 0.00 C ATOM 934 CZ TYR A 65 -2.580 -10.560 9.624 1.00 0.00 C ATOM 935 OH TYR A 65 -2.672 -11.862 9.174 1.00 0.00 O ATOM 0 H TYR A 65 -1.690 -4.073 10.811 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.762 -5.882 9.021 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.247 -6.207 11.141 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.753 -6.404 12.015 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.717 -7.741 9.196 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.090 -8.397 11.776 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.881 -10.081 8.387 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.255 -10.736 10.967 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.418 -12.311 9.623 1.00 0.00 H new ATOM 945 N PRO A 66 -4.994 -5.013 11.301 1.00 0.00 N ATOM 946 CA PRO A 66 -6.433 -5.006 11.615 1.00 0.00 C ATOM 947 C PRO A 66 -7.163 -3.971 10.753 1.00 0.00 C ATOM 948 O PRO A 66 -7.936 -3.207 11.308 1.00 0.00 O ATOM 949 CB PRO A 66 -6.477 -4.613 13.094 1.00 0.00 C ATOM 950 CG PRO A 66 -5.151 -3.875 13.391 1.00 0.00 C ATOM 951 CD PRO A 66 -4.162 -4.275 12.279 1.00 0.00 C ATOM 952 OXT PRO A 66 -6.935 -3.961 9.555 1.00 0.00 O ATOM 0 HA PRO A 66 -6.919 -5.962 11.419 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.333 -3.970 13.299 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.581 -5.494 13.727 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.303 -2.796 13.403 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.764 -4.154 14.371 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.697 -3.400 11.826 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.357 -4.898 12.668 1.00 0.00 H new TER 960 PRO A 66