USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 435 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 Set 1.1: A 33 TYR OH : rot 163:sc= 0.109 USER MOD Set 1.2: A 63 THR OG1 : rot -84:sc= 0.609 USER MOD Set 2.1: A 35 THR OG1 : rot 170:sc= -0.786 USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 29 THR OG1 : rot 110:sc= -0.909 USER MOD Set 4.2: A 43 LYS NZ :NH3+ 163:sc= -0.544 (180deg=-1.74!) USER MOD Set 5.1: A 26 TYR OH : rot -103:sc= 0.0113 USER MOD Set 5.2: A 68 GLN : amide:sc= 0.0125 X(o=0.024,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-5.8!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 13 ASN : amide:sc= -6.19! C(o=-6.2!,f=-10!) USER MOD Single : A 16 ASN : amide:sc= 0.492 K(o=0.49,f=-1.3!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -122:sc= -0.591 (180deg=-1.92!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0504 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 37:sc= 0.151 USER MOD Single : A 65 SER OG : rot 180:sc= -0.803 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.04 K(o=-1,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 0.305 -4.782 -1.864 1.00 43.30 N ATOM 19 CA LEU A 2 1.649 -5.270 -1.574 1.00 61.22 C ATOM 20 C LEU A 2 2.705 -4.304 -2.102 1.00 62.51 C ATOM 21 O LEU A 2 2.499 -3.637 -3.115 1.00 52.45 O ATOM 22 CB LEU A 2 1.854 -6.655 -2.191 1.00 52.24 C ATOM 23 CG LEU A 2 3.176 -7.348 -1.861 1.00 30.22 C ATOM 24 CD1 LEU A 2 3.099 -8.025 -0.501 1.00 55.11 C ATOM 25 CD2 LEU A 2 3.533 -8.358 -2.942 1.00 24.14 C ATOM 0 HA LEU A 2 1.757 -5.341 -0.492 1.00 61.22 H new ATOM 0 HB2 LEU A 2 1.038 -7.300 -1.866 1.00 52.24 H new ATOM 0 HB3 LEU A 2 1.775 -6.563 -3.274 1.00 52.24 H new ATOM 0 HG LEU A 2 3.961 -6.593 -1.824 1.00 30.22 H new ATOM 0 HD11 LEU A 2 4.049 -8.513 -0.283 1.00 55.11 H new ATOM 0 HD12 LEU A 2 2.890 -7.279 0.266 1.00 55.11 H new ATOM 0 HD13 LEU A 2 2.303 -8.769 -0.510 1.00 55.11 H new ATOM 0 HD21 LEU A 2 4.477 -8.842 -2.691 1.00 24.14 H new ATOM 0 HD22 LEU A 2 2.747 -9.110 -3.011 1.00 24.14 H new ATOM 0 HD23 LEU A 2 3.631 -7.847 -3.900 1.00 24.14 H new ATOM 37 N ASP A 3 3.837 -4.238 -1.410 1.00 11.53 N ATOM 38 CA ASP A 3 4.927 -3.356 -1.810 1.00 63.13 C ATOM 39 C ASP A 3 6.212 -4.148 -2.033 1.00 41.22 C ATOM 40 O ASP A 3 6.545 -5.043 -1.256 1.00 61.11 O ATOM 41 CB ASP A 3 5.156 -2.278 -0.750 1.00 54.40 C ATOM 42 CG ASP A 3 3.860 -1.793 -0.129 1.00 24.44 C ATOM 43 OD1 ASP A 3 3.236 -2.571 0.622 1.00 33.51 O ATOM 44 OD2 ASP A 3 3.471 -0.637 -0.394 1.00 12.45 O ATOM 0 H ASP A 3 4.024 -4.785 -0.569 1.00 11.53 H new ATOM 0 HA ASP A 3 4.648 -2.877 -2.749 1.00 63.13 H new ATOM 0 HB2 ASP A 3 5.805 -2.673 0.032 1.00 54.40 H new ATOM 0 HB3 ASP A 3 5.678 -1.434 -1.201 1.00 54.40 H new ATOM 49 N CYS A 4 6.930 -3.813 -3.100 1.00 51.21 N ATOM 50 CA CYS A 4 8.177 -4.493 -3.427 1.00 44.43 C ATOM 51 C CYS A 4 9.198 -3.512 -3.997 1.00 50.25 C ATOM 52 O CYS A 4 8.844 -2.420 -4.445 1.00 32.50 O ATOM 53 CB CYS A 4 7.921 -5.619 -4.430 1.00 72.12 C ATOM 54 SG CYS A 4 6.559 -6.735 -3.962 1.00 62.35 S ATOM 0 H CYS A 4 6.669 -3.074 -3.753 1.00 51.21 H new ATOM 0 HA CYS A 4 8.581 -4.919 -2.509 1.00 44.43 H new ATOM 0 HB2 CYS A 4 7.700 -5.181 -5.403 1.00 72.12 H new ATOM 0 HB3 CYS A 4 8.833 -6.204 -4.544 1.00 72.12 H new ATOM 59 N HIS A 5 10.467 -3.908 -3.978 1.00 74.41 N ATOM 60 CA HIS A 5 11.539 -3.065 -4.494 1.00 22.21 C ATOM 61 C HIS A 5 11.682 -3.231 -6.004 1.00 25.22 C ATOM 62 O HIS A 5 12.093 -4.287 -6.486 1.00 43.54 O ATOM 63 CB HIS A 5 12.861 -3.405 -3.804 1.00 75.50 C ATOM 64 CG HIS A 5 12.930 -2.944 -2.381 1.00 14.40 C ATOM 65 ND1 HIS A 5 13.580 -1.791 -1.995 1.00 4.04 N ATOM 66 CD2 HIS A 5 12.423 -3.485 -1.249 1.00 31.32 C ATOM 67 CE1 HIS A 5 13.473 -1.645 -0.686 1.00 54.31 C ATOM 68 NE2 HIS A 5 12.774 -2.659 -0.209 1.00 63.45 N ATOM 0 H HIS A 5 10.778 -4.807 -3.611 1.00 74.41 H new ATOM 0 HA HIS A 5 11.284 -2.026 -4.283 1.00 22.21 H new ATOM 0 HB2 HIS A 5 13.011 -4.484 -3.835 1.00 75.50 H new ATOM 0 HB3 HIS A 5 13.680 -2.953 -4.364 1.00 75.50 H new ATOM 0 HD2 HIS A 5 11.849 -4.397 -1.177 1.00 31.32 H new ATOM 0 HE1 HIS A 5 13.887 -0.834 -0.105 1.00 54.31 H new ATOM 0 HE2 HIS A 5 12.534 -2.805 0.772 1.00 63.45 H new ATOM 76 N VAL A 6 11.340 -2.182 -6.745 1.00 2.02 N ATOM 77 CA VAL A 6 11.431 -2.211 -8.200 1.00 31.33 C ATOM 78 C VAL A 6 12.581 -1.342 -8.696 1.00 72.32 C ATOM 79 O VAL A 6 12.527 -0.115 -8.613 1.00 1.14 O ATOM 80 CB VAL A 6 10.121 -1.733 -8.853 1.00 51.15 C ATOM 81 CG1 VAL A 6 10.164 -1.952 -10.358 1.00 72.21 C ATOM 82 CG2 VAL A 6 8.927 -2.445 -8.236 1.00 71.34 C ATOM 0 H VAL A 6 10.997 -1.301 -6.362 1.00 2.02 H new ATOM 0 HA VAL A 6 11.614 -3.247 -8.486 1.00 31.33 H new ATOM 0 HB VAL A 6 10.012 -0.664 -8.668 1.00 51.15 H new ATOM 0 HG11 VAL A 6 9.230 -1.608 -10.803 1.00 72.21 H new ATOM 0 HG12 VAL A 6 10.996 -1.391 -10.784 1.00 72.21 H new ATOM 0 HG13 VAL A 6 10.297 -3.013 -10.568 1.00 72.21 H new ATOM 0 HG21 VAL A 6 8.010 -2.095 -8.710 1.00 71.34 H new ATOM 0 HG22 VAL A 6 9.026 -3.520 -8.388 1.00 71.34 H new ATOM 0 HG23 VAL A 6 8.888 -2.231 -7.168 1.00 71.34 H new ATOM 92 N CYS A 7 13.621 -1.987 -9.214 1.00 43.40 N ATOM 93 CA CYS A 7 14.786 -1.274 -9.725 1.00 12.40 C ATOM 94 C CYS A 7 15.815 -2.248 -10.291 1.00 54.15 C ATOM 95 O CYS A 7 15.585 -3.456 -10.331 1.00 34.23 O ATOM 96 CB CYS A 7 15.421 -0.431 -8.617 1.00 31.32 C ATOM 97 SG CYS A 7 15.815 -1.367 -7.105 1.00 20.54 S ATOM 0 H CYS A 7 13.681 -3.002 -9.291 1.00 43.40 H new ATOM 0 HA CYS A 7 14.454 -0.616 -10.528 1.00 12.40 H new ATOM 0 HB2 CYS A 7 16.335 0.023 -8.999 1.00 31.32 H new ATOM 0 HB3 CYS A 7 14.743 0.384 -8.361 1.00 31.32 H new ATOM 102 N ALA A 8 16.950 -1.713 -10.729 1.00 53.20 N ATOM 103 CA ALA A 8 18.015 -2.534 -11.291 1.00 33.20 C ATOM 104 C ALA A 8 19.374 -1.865 -11.118 1.00 12.32 C ATOM 105 O ALA A 8 19.534 -0.679 -11.407 1.00 12.31 O ATOM 106 CB ALA A 8 17.745 -2.813 -12.762 1.00 63.42 C ATOM 0 H ALA A 8 17.155 -0.714 -10.705 1.00 53.20 H new ATOM 0 HA ALA A 8 18.034 -3.480 -10.750 1.00 33.20 H new ATOM 0 HB1 ALA A 8 18.548 -3.427 -13.169 1.00 63.42 H new ATOM 0 HB2 ALA A 8 16.797 -3.341 -12.864 1.00 63.42 H new ATOM 0 HB3 ALA A 8 17.696 -1.871 -13.308 1.00 63.42 H new ATOM 112 N TYR A 9 20.349 -2.632 -10.644 1.00 45.50 N ATOM 113 CA TYR A 9 21.695 -2.111 -10.429 1.00 74.33 C ATOM 114 C TYR A 9 22.745 -3.172 -10.742 1.00 64.14 C ATOM 115 O TYR A 9 22.479 -4.370 -10.654 1.00 44.05 O ATOM 116 CB TYR A 9 21.854 -1.630 -8.986 1.00 74.30 C ATOM 117 CG TYR A 9 23.216 -1.046 -8.689 1.00 63.31 C ATOM 118 CD1 TYR A 9 23.573 0.211 -9.160 1.00 13.30 C ATOM 119 CD2 TYR A 9 24.147 -1.752 -7.937 1.00 1.05 C ATOM 120 CE1 TYR A 9 24.817 0.748 -8.892 1.00 11.23 C ATOM 121 CE2 TYR A 9 25.393 -1.222 -7.662 1.00 62.20 C ATOM 122 CZ TYR A 9 25.723 0.028 -8.142 1.00 65.12 C ATOM 123 OH TYR A 9 26.963 0.560 -7.872 1.00 23.15 O ATOM 0 H TYR A 9 20.234 -3.616 -10.401 1.00 45.50 H new ATOM 0 HA TYR A 9 21.843 -1.268 -11.104 1.00 74.33 H new ATOM 0 HB2 TYR A 9 21.092 -0.879 -8.776 1.00 74.30 H new ATOM 0 HB3 TYR A 9 21.671 -2.466 -8.311 1.00 74.30 H new ATOM 0 HD1 TYR A 9 22.865 0.779 -9.746 1.00 13.30 H new ATOM 0 HD2 TYR A 9 23.892 -2.732 -7.561 1.00 1.05 H new ATOM 0 HE1 TYR A 9 25.079 1.726 -9.268 1.00 11.23 H new ATOM 0 HE2 TYR A 9 26.104 -1.783 -7.075 1.00 62.20 H new ATOM 0 HH TYR A 9 27.480 -0.073 -7.332 1.00 23.15 H new ATOM 133 N ASN A 10 23.941 -2.721 -11.108 1.00 22.43 N ATOM 134 CA ASN A 10 25.034 -3.631 -11.434 1.00 53.42 C ATOM 135 C ASN A 10 25.935 -3.855 -10.224 1.00 34.34 C ATOM 136 O ASN A 10 27.036 -3.312 -10.147 1.00 31.52 O ATOM 137 CB ASN A 10 25.855 -3.076 -12.600 1.00 24.14 C ATOM 138 CG ASN A 10 25.192 -3.318 -13.942 1.00 30.04 C ATOM 139 OD1 ASN A 10 23.969 -3.432 -14.030 1.00 64.55 O ATOM 140 ND2 ASN A 10 25.998 -3.397 -14.994 1.00 72.41 N ATOM 0 H ASN A 10 24.178 -1.732 -11.186 1.00 22.43 H new ATOM 0 HA ASN A 10 24.602 -4.589 -11.725 1.00 53.42 H new ATOM 0 HB2 ASN A 10 26.003 -2.005 -12.459 1.00 24.14 H new ATOM 0 HB3 ASN A 10 26.842 -3.538 -12.597 1.00 24.14 H new ATOM 0 HD21 ASN A 10 25.609 -3.558 -15.923 1.00 72.41 H new ATOM 0 HD22 ASN A 10 27.006 -3.296 -14.873 1.00 72.41 H new ATOM 147 N GLY A 11 25.458 -4.661 -9.279 1.00 52.30 N ATOM 148 CA GLY A 11 26.233 -4.944 -8.085 1.00 54.20 C ATOM 149 C GLY A 11 25.498 -5.851 -7.119 1.00 34.34 C ATOM 150 O GLY A 11 24.839 -6.806 -7.532 1.00 14.43 O ATOM 0 H GLY A 11 24.549 -5.122 -9.319 1.00 52.30 H new ATOM 0 HA2 GLY A 11 27.176 -5.410 -8.370 1.00 54.20 H new ATOM 0 HA3 GLY A 11 26.478 -4.007 -7.584 1.00 54.20 H new ATOM 154 N ASP A 12 25.612 -5.555 -5.829 1.00 34.24 N ATOM 155 CA ASP A 12 24.953 -6.352 -4.800 1.00 71.12 C ATOM 156 C ASP A 12 23.445 -6.397 -5.029 1.00 44.55 C ATOM 157 O ASP A 12 22.909 -7.396 -5.506 1.00 25.23 O ATOM 158 CB ASP A 12 25.254 -5.783 -3.413 1.00 13.41 C ATOM 159 CG ASP A 12 26.607 -6.220 -2.889 1.00 3.15 C ATOM 160 OD1 ASP A 12 27.004 -7.372 -3.160 1.00 63.13 O ATOM 161 OD2 ASP A 12 27.269 -5.410 -2.206 1.00 23.34 O ATOM 0 H ASP A 12 26.154 -4.769 -5.471 1.00 34.24 H new ATOM 0 HA ASP A 12 25.341 -7.369 -4.859 1.00 71.12 H new ATOM 0 HB2 ASP A 12 25.218 -4.694 -3.455 1.00 13.41 H new ATOM 0 HB3 ASP A 12 24.478 -6.101 -2.717 1.00 13.41 H new ATOM 166 N ASN A 13 22.767 -5.306 -4.686 1.00 64.20 N ATOM 167 CA ASN A 13 21.321 -5.221 -4.853 1.00 20.40 C ATOM 168 C ASN A 13 20.838 -3.783 -4.693 1.00 44.11 C ATOM 169 O ASN A 13 21.222 -3.089 -3.751 1.00 14.12 O ATOM 170 CB ASN A 13 20.616 -6.124 -3.838 1.00 51.52 C ATOM 171 CG ASN A 13 20.365 -7.517 -4.380 1.00 74.42 C ATOM 172 OD1 ASN A 13 19.558 -7.705 -5.291 1.00 31.20 O ATOM 173 ND2 ASN A 13 21.056 -8.503 -3.821 1.00 24.24 N ATOM 0 H ASN A 13 23.196 -4.469 -4.291 1.00 64.20 H new ATOM 0 HA ASN A 13 21.076 -5.557 -5.861 1.00 20.40 H new ATOM 0 HB2 ASN A 13 21.222 -6.192 -2.934 1.00 51.52 H new ATOM 0 HB3 ASN A 13 19.666 -5.672 -3.552 1.00 51.52 H new ATOM 0 HD21 ASN A 13 20.929 -9.462 -4.144 1.00 24.24 H new ATOM 0 HD22 ASN A 13 21.714 -8.302 -3.068 1.00 24.24 H new ATOM 180 N CYS A 14 19.995 -3.341 -5.620 1.00 33.32 N ATOM 181 CA CYS A 14 19.459 -1.986 -5.583 1.00 74.11 C ATOM 182 C CYS A 14 18.362 -1.863 -4.529 1.00 22.32 C ATOM 183 O CYS A 14 17.922 -2.860 -3.956 1.00 24.33 O ATOM 184 CB CYS A 14 18.907 -1.596 -6.956 1.00 2.01 C ATOM 185 SG CYS A 14 17.407 -2.509 -7.441 1.00 43.35 S ATOM 0 H CYS A 14 19.668 -3.902 -6.407 1.00 33.32 H new ATOM 0 HA CYS A 14 20.271 -1.308 -5.318 1.00 74.11 H new ATOM 0 HB2 CYS A 14 18.686 -0.529 -6.957 1.00 2.01 H new ATOM 0 HB3 CYS A 14 19.679 -1.762 -7.707 1.00 2.01 H new ATOM 190 N PHE A 15 17.925 -0.634 -4.278 1.00 41.42 N ATOM 191 CA PHE A 15 16.881 -0.379 -3.293 1.00 32.43 C ATOM 192 C PHE A 15 15.890 0.662 -3.806 1.00 24.20 C ATOM 193 O PHE A 15 16.241 1.825 -4.000 1.00 21.14 O ATOM 194 CB PHE A 15 17.498 0.093 -1.975 1.00 11.42 C ATOM 195 CG PHE A 15 18.116 -1.015 -1.171 1.00 13.54 C ATOM 196 CD1 PHE A 15 19.417 -1.423 -1.414 1.00 41.23 C ATOM 197 CD2 PHE A 15 17.395 -1.648 -0.171 1.00 73.24 C ATOM 198 CE1 PHE A 15 19.989 -2.442 -0.676 1.00 12.22 C ATOM 199 CE2 PHE A 15 17.961 -2.667 0.571 1.00 62.45 C ATOM 200 CZ PHE A 15 19.259 -3.066 0.317 1.00 3.42 C ATOM 0 H PHE A 15 18.278 0.202 -4.744 1.00 41.42 H new ATOM 0 HA PHE A 15 16.344 -1.312 -3.121 1.00 32.43 H new ATOM 0 HB2 PHE A 15 18.258 0.844 -2.188 1.00 11.42 H new ATOM 0 HB3 PHE A 15 16.728 0.579 -1.376 1.00 11.42 H new ATOM 0 HD1 PHE A 15 19.992 -0.939 -2.190 1.00 41.23 H new ATOM 0 HD2 PHE A 15 16.379 -1.341 0.031 1.00 73.24 H new ATOM 0 HE1 PHE A 15 21.005 -2.750 -0.875 1.00 12.22 H new ATOM 0 HE2 PHE A 15 17.389 -3.151 1.349 1.00 62.45 H new ATOM 0 HZ PHE A 15 19.702 -3.864 0.894 1.00 3.42 H new ATOM 210 N ASN A 16 14.651 0.234 -4.025 1.00 23.23 N ATOM 211 CA ASN A 16 13.609 1.128 -4.517 1.00 24.13 C ATOM 212 C ASN A 16 12.224 0.543 -4.258 1.00 41.23 C ATOM 213 O ASN A 16 11.595 -0.040 -5.141 1.00 54.22 O ATOM 214 CB ASN A 16 13.795 1.386 -6.013 1.00 41.52 C ATOM 215 CG ASN A 16 13.073 2.636 -6.478 1.00 54.11 C ATOM 216 OD1 ASN A 16 12.894 3.584 -5.713 1.00 40.12 O ATOM 217 ND2 ASN A 16 12.653 2.642 -7.738 1.00 14.41 N ATOM 0 H ASN A 16 14.344 -0.726 -3.870 1.00 23.23 H new ATOM 0 HA ASN A 16 13.691 2.073 -3.979 1.00 24.13 H new ATOM 0 HB2 ASN A 16 14.858 1.481 -6.233 1.00 41.52 H new ATOM 0 HB3 ASN A 16 13.428 0.527 -6.575 1.00 41.52 H new ATOM 0 HD21 ASN A 16 12.160 3.455 -8.107 1.00 14.41 H new ATOM 0 HD22 ASN A 16 12.824 1.834 -8.336 1.00 14.41 H new ATOM 224 N PRO A 17 11.737 0.702 -3.019 1.00 15.41 N ATOM 225 CA PRO A 17 10.420 0.199 -2.615 1.00 64.43 C ATOM 226 C PRO A 17 9.279 0.970 -3.269 1.00 70.11 C ATOM 227 O PRO A 17 9.102 2.163 -3.022 1.00 62.55 O ATOM 228 CB PRO A 17 10.409 0.410 -1.099 1.00 43.03 C ATOM 229 CG PRO A 17 11.366 1.528 -0.866 1.00 13.12 C ATOM 230 CD PRO A 17 12.432 1.387 -1.916 1.00 62.03 C ATOM 0 HA PRO A 17 10.270 -0.838 -2.916 1.00 64.43 H new ATOM 0 HB2 PRO A 17 9.411 0.662 -0.742 1.00 43.03 H new ATOM 0 HB3 PRO A 17 10.718 -0.492 -0.571 1.00 43.03 H new ATOM 0 HG2 PRO A 17 10.865 2.493 -0.945 1.00 13.12 H new ATOM 0 HG3 PRO A 17 11.794 1.473 0.135 1.00 13.12 H new ATOM 0 HD2 PRO A 17 12.821 2.357 -2.227 1.00 62.03 H new ATOM 0 HD3 PRO A 17 13.279 0.806 -1.553 1.00 62.03 H new ATOM 238 N MET A 18 8.507 0.281 -4.103 1.00 51.12 N ATOM 239 CA MET A 18 7.381 0.902 -4.791 1.00 50.30 C ATOM 240 C MET A 18 6.110 0.079 -4.607 1.00 1.12 C ATOM 241 O MET A 18 6.157 -1.150 -4.564 1.00 33.44 O ATOM 242 CB MET A 18 7.690 1.059 -6.281 1.00 74.02 C ATOM 243 CG MET A 18 9.069 1.633 -6.559 1.00 44.20 C ATOM 244 SD MET A 18 9.244 3.332 -5.980 1.00 61.04 S ATOM 245 CE MET A 18 8.649 4.238 -7.406 1.00 14.20 C ATOM 0 H MET A 18 8.640 -0.707 -4.319 1.00 51.12 H new ATOM 0 HA MET A 18 7.220 1.888 -4.355 1.00 50.30 H new ATOM 0 HB2 MET A 18 7.606 0.086 -6.765 1.00 74.02 H new ATOM 0 HB3 MET A 18 6.938 1.706 -6.733 1.00 74.02 H new ATOM 0 HG2 MET A 18 9.822 1.010 -6.077 1.00 44.20 H new ATOM 0 HG3 MET A 18 9.264 1.597 -7.631 1.00 44.20 H new ATOM 0 HE1 MET A 18 8.695 5.308 -7.203 1.00 14.20 H new ATOM 0 HE2 MET A 18 9.271 4.006 -8.270 1.00 14.20 H new ATOM 0 HE3 MET A 18 7.618 3.953 -7.614 1.00 14.20 H new ATOM 255 N ARG A 19 4.977 0.765 -4.498 1.00 72.35 N ATOM 256 CA ARG A 19 3.694 0.096 -4.317 1.00 52.24 C ATOM 257 C ARG A 19 3.214 -0.523 -5.627 1.00 20.44 C ATOM 258 O ARG A 19 3.150 0.148 -6.657 1.00 14.01 O ATOM 259 CB ARG A 19 2.649 1.084 -3.795 1.00 41.33 C ATOM 260 CG ARG A 19 1.251 0.496 -3.695 1.00 41.24 C ATOM 261 CD ARG A 19 1.083 -0.329 -2.429 1.00 11.30 C ATOM 262 NE ARG A 19 0.558 0.468 -1.323 1.00 23.42 N ATOM 263 CZ ARG A 19 0.445 0.013 -0.080 1.00 14.54 C ATOM 264 NH1 ARG A 19 0.817 -1.225 0.214 1.00 1.41 N ATOM 265 NH2 ARG A 19 -0.042 0.799 0.873 1.00 72.41 N ATOM 0 H ARG A 19 4.921 1.783 -4.532 1.00 72.35 H new ATOM 0 HA ARG A 19 3.828 -0.701 -3.586 1.00 52.24 H new ATOM 0 HB2 ARG A 19 2.956 1.438 -2.811 1.00 41.33 H new ATOM 0 HB3 ARG A 19 2.622 1.953 -4.453 1.00 41.33 H new ATOM 0 HG2 ARG A 19 0.515 1.300 -3.707 1.00 41.24 H new ATOM 0 HG3 ARG A 19 1.055 -0.129 -4.566 1.00 41.24 H new ATOM 0 HD2 ARG A 19 0.410 -1.163 -2.626 1.00 11.30 H new ATOM 0 HD3 ARG A 19 2.045 -0.756 -2.144 1.00 11.30 H new ATOM 0 HE ARG A 19 0.262 1.425 -1.515 1.00 23.42 H new ATOM 0 HH11 ARG A 19 1.192 -1.832 -0.515 1.00 1.41 H new ATOM 0 HH12 ARG A 19 0.729 -1.571 1.170 1.00 1.41 H new ATOM 0 HH21 ARG A 19 -0.329 1.752 0.651 1.00 72.41 H new ATOM 0 HH22 ARG A 19 -0.129 0.450 1.827 1.00 72.41 H new ATOM 279 N CYS A 20 2.879 -1.808 -5.579 1.00 72.31 N ATOM 280 CA CYS A 20 2.406 -2.520 -6.760 1.00 52.14 C ATOM 281 C CYS A 20 0.957 -2.155 -7.072 1.00 3.32 C ATOM 282 O CYS A 20 0.198 -1.728 -6.202 1.00 12.41 O ATOM 283 CB CYS A 20 2.529 -4.031 -6.555 1.00 4.12 C ATOM 284 SG CYS A 20 4.140 -4.561 -5.889 1.00 70.51 S ATOM 0 H CYS A 20 2.926 -2.378 -4.734 1.00 72.31 H new ATOM 0 HA CYS A 20 3.028 -2.223 -7.605 1.00 52.14 H new ATOM 0 HB2 CYS A 20 1.741 -4.360 -5.877 1.00 4.12 H new ATOM 0 HB3 CYS A 20 2.359 -4.531 -7.508 1.00 4.12 H new ATOM 289 N PRO A 21 0.564 -2.326 -8.343 1.00 30.34 N ATOM 290 CA PRO A 21 -0.796 -2.022 -8.798 1.00 44.35 C ATOM 291 C PRO A 21 -1.826 -3.000 -8.245 1.00 25.24 C ATOM 292 O PRO A 21 -1.506 -3.846 -7.410 1.00 22.20 O ATOM 293 CB PRO A 21 -0.697 -2.153 -10.320 1.00 72.43 C ATOM 294 CG PRO A 21 0.440 -3.089 -10.547 1.00 2.51 C ATOM 295 CD PRO A 21 1.416 -2.831 -9.432 1.00 61.42 C ATOM 0 HA PRO A 21 -1.129 -1.040 -8.461 1.00 44.35 H new ATOM 0 HB2 PRO A 21 -1.622 -2.543 -10.745 1.00 72.43 H new ATOM 0 HB3 PRO A 21 -0.514 -1.186 -10.789 1.00 72.43 H new ATOM 0 HG2 PRO A 21 0.101 -4.125 -10.537 1.00 2.51 H new ATOM 0 HG3 PRO A 21 0.902 -2.914 -11.519 1.00 2.51 H new ATOM 0 HD2 PRO A 21 1.943 -3.740 -9.141 1.00 61.42 H new ATOM 0 HD3 PRO A 21 2.173 -2.102 -9.721 1.00 61.42 H new ATOM 303 N ALA A 22 -3.063 -2.879 -8.715 1.00 23.22 N ATOM 304 CA ALA A 22 -4.139 -3.755 -8.268 1.00 42.10 C ATOM 305 C ALA A 22 -4.173 -5.043 -9.084 1.00 2.04 C ATOM 306 O ALA A 22 -5.210 -5.414 -9.632 1.00 32.23 O ATOM 307 CB ALA A 22 -5.476 -3.036 -8.358 1.00 55.50 C ATOM 0 H ALA A 22 -3.345 -2.183 -9.405 1.00 23.22 H new ATOM 0 HA ALA A 22 -3.950 -4.020 -7.228 1.00 42.10 H new ATOM 0 HB1 ALA A 22 -6.271 -3.702 -8.021 1.00 55.50 H new ATOM 0 HB2 ALA A 22 -5.455 -2.148 -7.726 1.00 55.50 H new ATOM 0 HB3 ALA A 22 -5.662 -2.742 -9.391 1.00 55.50 H new ATOM 313 N MET A 23 -3.032 -5.720 -9.160 1.00 4.21 N ATOM 314 CA MET A 23 -2.932 -6.967 -9.909 1.00 30.22 C ATOM 315 C MET A 23 -1.772 -7.816 -9.399 1.00 45.04 C ATOM 316 O MET A 23 -1.862 -9.043 -9.350 1.00 45.20 O ATOM 317 CB MET A 23 -2.752 -6.678 -11.400 1.00 64.44 C ATOM 318 CG MET A 23 -1.562 -5.783 -11.706 1.00 52.34 C ATOM 319 SD MET A 23 -1.264 -5.605 -13.476 1.00 24.03 S ATOM 320 CE MET A 23 0.258 -6.533 -13.657 1.00 54.22 C ATOM 0 H MET A 23 -2.164 -5.426 -8.712 1.00 4.21 H new ATOM 0 HA MET A 23 -3.857 -7.524 -9.764 1.00 30.22 H new ATOM 0 HB2 MET A 23 -2.633 -7.621 -11.933 1.00 64.44 H new ATOM 0 HB3 MET A 23 -3.658 -6.208 -11.783 1.00 64.44 H new ATOM 0 HG2 MET A 23 -1.731 -4.799 -11.269 1.00 52.34 H new ATOM 0 HG3 MET A 23 -0.671 -6.194 -11.231 1.00 52.34 H new ATOM 0 HE1 MET A 23 0.573 -6.516 -14.701 1.00 54.22 H new ATOM 0 HE2 MET A 23 1.034 -6.084 -13.037 1.00 54.22 H new ATOM 0 HE3 MET A 23 0.095 -7.564 -13.344 1.00 54.22 H new ATOM 330 N VAL A 24 -0.682 -7.155 -9.022 1.00 22.15 N ATOM 331 CA VAL A 24 0.496 -7.849 -8.515 1.00 61.21 C ATOM 332 C VAL A 24 0.318 -8.237 -7.052 1.00 24.44 C ATOM 333 O VAL A 24 -0.213 -7.465 -6.254 1.00 64.11 O ATOM 334 CB VAL A 24 1.762 -6.982 -8.655 1.00 33.41 C ATOM 335 CG1 VAL A 24 2.852 -7.474 -7.716 1.00 24.33 C ATOM 336 CG2 VAL A 24 2.249 -6.980 -10.096 1.00 13.10 C ATOM 0 H VAL A 24 -0.590 -6.140 -9.058 1.00 22.15 H new ATOM 0 HA VAL A 24 0.615 -8.751 -9.115 1.00 61.21 H new ATOM 0 HB VAL A 24 1.513 -5.958 -8.378 1.00 33.41 H new ATOM 0 HG11 VAL A 24 3.738 -6.850 -7.829 1.00 24.33 H new ATOM 0 HG12 VAL A 24 2.498 -7.419 -6.687 1.00 24.33 H new ATOM 0 HG13 VAL A 24 3.102 -8.507 -7.959 1.00 24.33 H new ATOM 0 HG21 VAL A 24 3.144 -6.363 -10.177 1.00 13.10 H new ATOM 0 HG22 VAL A 24 2.483 -8.000 -10.403 1.00 13.10 H new ATOM 0 HG23 VAL A 24 1.470 -6.576 -10.743 1.00 13.10 H new ATOM 346 N ALA A 25 0.767 -9.440 -6.705 1.00 52.53 N ATOM 347 CA ALA A 25 0.660 -9.930 -5.337 1.00 12.22 C ATOM 348 C ALA A 25 1.944 -10.628 -4.902 1.00 34.31 C ATOM 349 O ALA A 25 2.000 -11.235 -3.832 1.00 73.42 O ATOM 350 CB ALA A 25 -0.527 -10.873 -5.205 1.00 40.23 C ATOM 0 H ALA A 25 1.208 -10.092 -7.353 1.00 52.53 H new ATOM 0 HA ALA A 25 0.503 -9.073 -4.682 1.00 12.22 H new ATOM 0 HB1 ALA A 25 -0.595 -11.231 -4.178 1.00 40.23 H new ATOM 0 HB2 ALA A 25 -1.443 -10.343 -5.466 1.00 40.23 H new ATOM 0 HB3 ALA A 25 -0.395 -11.721 -5.877 1.00 40.23 H new ATOM 356 N TYR A 26 2.972 -10.539 -5.737 1.00 43.15 N ATOM 357 CA TYR A 26 4.255 -11.165 -5.440 1.00 60.33 C ATOM 358 C TYR A 26 5.410 -10.319 -5.969 1.00 34.55 C ATOM 359 O TYR A 26 5.250 -9.555 -6.920 1.00 42.43 O ATOM 360 CB TYR A 26 4.315 -12.567 -6.049 1.00 71.22 C ATOM 361 CG TYR A 26 3.430 -13.571 -5.346 1.00 32.22 C ATOM 362 CD1 TYR A 26 2.069 -13.639 -5.618 1.00 42.35 C ATOM 363 CD2 TYR A 26 3.955 -14.453 -4.409 1.00 73.10 C ATOM 364 CE1 TYR A 26 1.257 -14.554 -4.978 1.00 12.14 C ATOM 365 CE2 TYR A 26 3.150 -15.373 -3.764 1.00 41.43 C ATOM 366 CZ TYR A 26 1.802 -15.419 -4.052 1.00 11.24 C ATOM 367 OH TYR A 26 0.996 -16.333 -3.412 1.00 43.20 O ATOM 0 H TYR A 26 2.942 -10.039 -6.626 1.00 43.15 H new ATOM 0 HA TYR A 26 4.351 -11.242 -4.357 1.00 60.33 H new ATOM 0 HB2 TYR A 26 4.024 -12.511 -7.098 1.00 71.22 H new ATOM 0 HB3 TYR A 26 5.345 -12.922 -6.022 1.00 71.22 H new ATOM 0 HD1 TYR A 26 1.639 -12.964 -6.343 1.00 42.35 H new ATOM 0 HD2 TYR A 26 5.010 -14.419 -4.181 1.00 73.10 H new ATOM 0 HE1 TYR A 26 0.201 -14.592 -5.201 1.00 12.14 H new ATOM 0 HE2 TYR A 26 3.574 -16.052 -3.039 1.00 41.43 H new ATOM 0 HH TYR A 26 0.815 -16.027 -2.499 1.00 43.20 H new ATOM 377 N CYS A 27 6.574 -10.463 -5.344 1.00 34.12 N ATOM 378 CA CYS A 27 7.757 -9.714 -5.749 1.00 30.02 C ATOM 379 C CYS A 27 8.724 -10.603 -6.526 1.00 11.22 C ATOM 380 O CYS A 27 8.904 -11.775 -6.199 1.00 24.34 O ATOM 381 CB CYS A 27 8.459 -9.128 -4.523 1.00 3.54 C ATOM 382 SG CYS A 27 7.325 -8.433 -3.277 1.00 62.53 S ATOM 0 H CYS A 27 6.723 -11.092 -4.555 1.00 34.12 H new ATOM 0 HA CYS A 27 7.436 -8.900 -6.400 1.00 30.02 H new ATOM 0 HB2 CYS A 27 9.061 -9.907 -4.056 1.00 3.54 H new ATOM 0 HB3 CYS A 27 9.146 -8.347 -4.850 1.00 3.54 H new ATOM 387 N MET A 28 9.343 -10.035 -7.556 1.00 32.32 N ATOM 388 CA MET A 28 10.292 -10.776 -8.379 1.00 5.35 C ATOM 389 C MET A 28 11.691 -10.176 -8.268 1.00 33.24 C ATOM 390 O MET A 28 11.856 -8.956 -8.265 1.00 3.22 O ATOM 391 CB MET A 28 9.840 -10.778 -9.840 1.00 64.01 C ATOM 392 CG MET A 28 10.801 -11.498 -10.772 1.00 44.23 C ATOM 393 SD MET A 28 10.785 -10.822 -12.444 1.00 12.12 S ATOM 394 CE MET A 28 10.483 -12.303 -13.405 1.00 10.11 C ATOM 0 H MET A 28 9.205 -9.065 -7.840 1.00 32.32 H new ATOM 0 HA MET A 28 10.326 -11.803 -8.016 1.00 5.35 H new ATOM 0 HB2 MET A 28 8.859 -11.249 -9.908 1.00 64.01 H new ATOM 0 HB3 MET A 28 9.723 -9.748 -10.177 1.00 64.01 H new ATOM 0 HG2 MET A 28 11.811 -11.432 -10.367 1.00 44.23 H new ATOM 0 HG3 MET A 28 10.541 -12.556 -10.809 1.00 44.23 H new ATOM 0 HE1 MET A 28 10.446 -12.048 -14.464 1.00 10.11 H new ATOM 0 HE2 MET A 28 11.286 -13.019 -13.232 1.00 10.11 H new ATOM 0 HE3 MET A 28 9.533 -12.744 -13.104 1.00 10.11 H new ATOM 404 N THR A 29 12.696 -11.042 -8.176 1.00 14.11 N ATOM 405 CA THR A 29 14.079 -10.598 -8.063 1.00 41.13 C ATOM 406 C THR A 29 15.016 -11.515 -8.841 1.00 51.02 C ATOM 407 O THR A 29 15.233 -12.666 -8.460 1.00 45.25 O ATOM 408 CB THR A 29 14.534 -10.546 -6.593 1.00 4.33 C ATOM 409 OG1 THR A 29 13.762 -9.576 -5.875 1.00 25.40 O ATOM 410 CG2 THR A 29 16.012 -10.197 -6.496 1.00 20.43 C ATOM 0 H THR A 29 12.577 -12.055 -8.178 1.00 14.11 H new ATOM 0 HA THR A 29 14.124 -9.594 -8.485 1.00 41.13 H new ATOM 0 HB THR A 29 14.379 -11.531 -6.153 1.00 4.33 H new ATOM 0 HG1 THR A 29 13.164 -10.033 -5.247 1.00 25.40 H new ATOM 0 HG21 THR A 29 16.311 -10.166 -5.448 1.00 20.43 H new ATOM 0 HG22 THR A 29 16.599 -10.952 -7.018 1.00 20.43 H new ATOM 0 HG23 THR A 29 16.186 -9.222 -6.952 1.00 20.43 H new ATOM 418 N THR A 30 15.570 -10.998 -9.934 1.00 20.43 N ATOM 419 CA THR A 30 16.484 -11.771 -10.766 1.00 34.12 C ATOM 420 C THR A 30 17.921 -11.295 -10.592 1.00 43.15 C ATOM 421 O THR A 30 18.328 -10.292 -11.179 1.00 12.30 O ATOM 422 CB THR A 30 16.101 -11.680 -12.255 1.00 34.00 C ATOM 423 OG1 THR A 30 14.740 -12.088 -12.437 1.00 1.33 O ATOM 424 CG2 THR A 30 17.014 -12.552 -13.103 1.00 2.00 C ATOM 0 H THR A 30 15.401 -10.047 -10.263 1.00 20.43 H new ATOM 0 HA THR A 30 16.406 -12.809 -10.442 1.00 34.12 H new ATOM 0 HB THR A 30 16.215 -10.644 -12.574 1.00 34.00 H new ATOM 0 HG1 THR A 30 14.504 -12.026 -13.386 1.00 1.33 H new ATOM 0 HG21 THR A 30 16.724 -12.471 -14.151 1.00 2.00 H new ATOM 0 HG22 THR A 30 18.046 -12.221 -12.985 1.00 2.00 H new ATOM 0 HG23 THR A 30 16.927 -13.590 -12.782 1.00 2.00 H new ATOM 432 N ARG A 31 18.687 -12.021 -9.784 1.00 51.13 N ATOM 433 CA ARG A 31 20.080 -11.672 -9.534 1.00 10.42 C ATOM 434 C ARG A 31 21.014 -12.499 -10.412 1.00 43.31 C ATOM 435 O ARG A 31 21.315 -13.653 -10.104 1.00 54.33 O ATOM 436 CB ARG A 31 20.425 -11.887 -8.059 1.00 71.41 C ATOM 437 CG ARG A 31 19.742 -13.098 -7.445 1.00 32.42 C ATOM 438 CD ARG A 31 20.093 -13.249 -5.973 1.00 15.32 C ATOM 439 NE ARG A 31 19.228 -12.439 -5.119 1.00 1.53 N ATOM 440 CZ ARG A 31 19.140 -12.595 -3.803 1.00 21.14 C ATOM 441 NH1 ARG A 31 19.860 -13.526 -3.193 1.00 22.52 N ATOM 442 NH2 ARG A 31 18.331 -11.819 -3.094 1.00 14.35 N ATOM 0 H ARG A 31 18.366 -12.855 -9.291 1.00 51.13 H new ATOM 0 HA ARG A 31 20.215 -10.619 -9.782 1.00 10.42 H new ATOM 0 HB2 ARG A 31 21.505 -12.000 -7.960 1.00 71.41 H new ATOM 0 HB3 ARG A 31 20.144 -10.997 -7.495 1.00 71.41 H new ATOM 0 HG2 ARG A 31 18.662 -13.002 -7.555 1.00 32.42 H new ATOM 0 HG3 ARG A 31 20.039 -13.997 -7.985 1.00 32.42 H new ATOM 0 HD2 ARG A 31 20.008 -14.297 -5.686 1.00 15.32 H new ATOM 0 HD3 ARG A 31 21.132 -12.959 -5.816 1.00 15.32 H new ATOM 0 HE ARG A 31 18.660 -11.714 -5.557 1.00 1.53 H new ATOM 0 HH11 ARG A 31 20.484 -14.125 -3.734 1.00 22.52 H new ATOM 0 HH12 ARG A 31 19.790 -13.644 -2.182 1.00 22.52 H new ATOM 0 HH21 ARG A 31 17.775 -11.101 -3.559 1.00 14.35 H new ATOM 0 HH22 ARG A 31 18.264 -11.940 -2.083 1.00 14.35 H new ATOM 456 N THR A 32 21.471 -11.901 -11.508 1.00 61.13 N ATOM 457 CA THR A 32 22.369 -12.582 -12.432 1.00 63.12 C ATOM 458 C THR A 32 23.827 -12.268 -12.114 1.00 53.54 C ATOM 459 O THR A 32 24.142 -11.195 -11.599 1.00 2.20 O ATOM 460 CB THR A 32 22.078 -12.188 -13.892 1.00 75.34 C ATOM 461 OG1 THR A 32 20.700 -12.430 -14.199 1.00 71.32 O ATOM 462 CG2 THR A 32 22.961 -12.972 -14.851 1.00 41.02 C ATOM 0 H THR A 32 21.234 -10.946 -11.777 1.00 61.13 H new ATOM 0 HA THR A 32 22.195 -13.651 -12.311 1.00 63.12 H new ATOM 0 HB THR A 32 22.296 -11.126 -14.009 1.00 75.34 H new ATOM 0 HG1 THR A 32 20.522 -12.175 -15.129 1.00 71.32 H new ATOM 0 HG21 THR A 32 22.737 -12.676 -15.876 1.00 41.02 H new ATOM 0 HG22 THR A 32 24.009 -12.764 -14.634 1.00 41.02 H new ATOM 0 HG23 THR A 32 22.771 -14.039 -14.731 1.00 41.02 H new ATOM 470 N TYR A 33 24.711 -13.208 -12.426 1.00 23.35 N ATOM 471 CA TYR A 33 26.136 -13.032 -12.171 1.00 42.43 C ATOM 472 C TYR A 33 26.963 -13.465 -13.378 1.00 73.11 C ATOM 473 O TYR A 33 27.108 -14.657 -13.650 1.00 20.24 O ATOM 474 CB TYR A 33 26.558 -13.830 -10.937 1.00 1.03 C ATOM 475 CG TYR A 33 25.457 -13.988 -9.912 1.00 62.25 C ATOM 476 CD1 TYR A 33 24.906 -12.881 -9.279 1.00 71.32 C ATOM 477 CD2 TYR A 33 24.968 -15.245 -9.579 1.00 35.12 C ATOM 478 CE1 TYR A 33 23.901 -13.021 -8.342 1.00 75.53 C ATOM 479 CE2 TYR A 33 23.961 -15.395 -8.644 1.00 42.32 C ATOM 480 CZ TYR A 33 23.431 -14.280 -8.028 1.00 44.04 C ATOM 481 OH TYR A 33 22.429 -14.424 -7.097 1.00 10.33 O ATOM 0 H TYR A 33 24.466 -14.100 -12.856 1.00 23.35 H new ATOM 0 HA TYR A 33 26.318 -11.973 -11.989 1.00 42.43 H new ATOM 0 HB2 TYR A 33 26.895 -14.818 -11.251 1.00 1.03 H new ATOM 0 HB3 TYR A 33 27.410 -13.337 -10.469 1.00 1.03 H new ATOM 0 HD1 TYR A 33 25.270 -11.894 -9.524 1.00 71.32 H new ATOM 0 HD2 TYR A 33 25.382 -16.120 -10.059 1.00 35.12 H new ATOM 0 HE1 TYR A 33 23.485 -12.150 -7.858 1.00 75.53 H new ATOM 0 HE2 TYR A 33 23.591 -16.379 -8.397 1.00 42.32 H new ATOM 0 HH TYR A 33 22.027 -15.314 -7.184 1.00 10.33 H new ATOM 491 N TYR A 34 27.503 -12.488 -14.098 1.00 73.44 N ATOM 492 CA TYR A 34 28.314 -12.767 -15.278 1.00 13.04 C ATOM 493 C TYR A 34 29.762 -13.047 -14.889 1.00 2.30 C ATOM 494 O TYR A 34 30.276 -14.145 -15.106 1.00 14.11 O ATOM 495 CB TYR A 34 28.254 -11.590 -16.253 1.00 71.42 C ATOM 496 CG TYR A 34 27.014 -11.584 -17.118 1.00 51.44 C ATOM 497 CD1 TYR A 34 25.764 -11.316 -16.574 1.00 1.02 C ATOM 498 CD2 TYR A 34 27.092 -11.844 -18.481 1.00 45.11 C ATOM 499 CE1 TYR A 34 24.629 -11.310 -17.360 1.00 54.45 C ATOM 500 CE2 TYR A 34 25.962 -11.838 -19.276 1.00 24.23 C ATOM 501 CZ TYR A 34 24.733 -11.571 -18.711 1.00 11.03 C ATOM 502 OH TYR A 34 23.604 -11.564 -19.498 1.00 63.11 O ATOM 0 H TYR A 34 27.394 -11.496 -13.886 1.00 73.44 H new ATOM 0 HA TYR A 34 27.910 -13.654 -15.765 1.00 13.04 H new ATOM 0 HB2 TYR A 34 28.298 -10.659 -15.688 1.00 71.42 H new ATOM 0 HB3 TYR A 34 29.135 -11.615 -16.895 1.00 71.42 H new ATOM 0 HD1 TYR A 34 25.679 -11.109 -15.518 1.00 1.02 H new ATOM 0 HD2 TYR A 34 28.053 -12.054 -18.927 1.00 45.11 H new ATOM 0 HE1 TYR A 34 23.665 -11.102 -16.920 1.00 54.45 H new ATOM 0 HE2 TYR A 34 26.041 -12.041 -20.334 1.00 24.23 H new ATOM 0 HH TYR A 34 23.850 -11.765 -20.425 1.00 63.11 H new ATOM 512 N THR A 35 30.417 -12.044 -14.312 1.00 24.23 N ATOM 513 CA THR A 35 31.807 -12.180 -13.892 1.00 54.14 C ATOM 514 C THR A 35 31.939 -12.052 -12.379 1.00 42.22 C ATOM 515 O THR A 35 31.065 -11.515 -11.698 1.00 72.24 O ATOM 516 CB THR A 35 32.703 -11.124 -14.566 1.00 54.51 C ATOM 517 OG1 THR A 35 32.792 -9.958 -13.739 1.00 53.35 O ATOM 518 CG2 THR A 35 32.155 -10.742 -15.933 1.00 12.41 C ATOM 0 H THR A 35 30.007 -11.129 -14.125 1.00 24.23 H new ATOM 0 HA THR A 35 32.135 -13.173 -14.199 1.00 54.14 H new ATOM 0 HB THR A 35 33.697 -11.553 -14.698 1.00 54.51 H new ATOM 0 HG1 THR A 35 33.484 -9.360 -14.090 1.00 53.35 H new ATOM 0 HG21 THR A 35 32.804 -9.995 -16.390 1.00 12.41 H new ATOM 0 HG22 THR A 35 32.116 -11.626 -16.569 1.00 12.41 H new ATOM 0 HG23 THR A 35 31.152 -10.331 -15.821 1.00 12.41 H new ATOM 526 N PRO A 36 33.059 -12.555 -11.838 1.00 15.22 N ATOM 527 CA PRO A 36 33.332 -12.507 -10.398 1.00 64.14 C ATOM 528 C PRO A 36 33.615 -11.091 -9.909 1.00 10.12 C ATOM 529 O PRO A 36 33.800 -10.861 -8.713 1.00 62.11 O ATOM 530 CB PRO A 36 34.577 -13.384 -10.245 1.00 23.41 C ATOM 531 CG PRO A 36 35.247 -13.328 -11.575 1.00 12.14 C ATOM 532 CD PRO A 36 34.143 -13.208 -12.589 1.00 63.41 C ATOM 0 HA PRO A 36 32.479 -12.846 -9.809 1.00 64.14 H new ATOM 0 HB2 PRO A 36 35.230 -13.010 -9.457 1.00 23.41 H new ATOM 0 HB3 PRO A 36 34.310 -14.407 -9.979 1.00 23.41 H new ATOM 0 HG2 PRO A 36 35.926 -12.477 -11.635 1.00 12.14 H new ATOM 0 HG3 PRO A 36 35.842 -14.224 -11.750 1.00 12.14 H new ATOM 0 HD2 PRO A 36 34.451 -12.613 -13.449 1.00 63.41 H new ATOM 0 HD3 PRO A 36 33.838 -14.183 -12.968 1.00 63.41 H new ATOM 540 N THR A 37 33.646 -10.143 -10.840 1.00 44.31 N ATOM 541 CA THR A 37 33.907 -8.749 -10.503 1.00 41.14 C ATOM 542 C THR A 37 32.812 -7.838 -11.046 1.00 72.10 C ATOM 543 O THR A 37 32.838 -6.626 -10.834 1.00 10.32 O ATOM 544 CB THR A 37 35.267 -8.282 -11.056 1.00 23.55 C ATOM 545 OG1 THR A 37 35.397 -8.668 -12.428 1.00 60.14 O ATOM 546 CG2 THR A 37 36.412 -8.875 -10.247 1.00 15.12 C ATOM 0 H THR A 37 33.494 -10.315 -11.834 1.00 44.31 H new ATOM 0 HA THR A 37 33.924 -8.685 -9.415 1.00 41.14 H new ATOM 0 HB THR A 37 35.312 -7.196 -10.979 1.00 23.55 H new ATOM 0 HG1 THR A 37 36.263 -8.366 -12.772 1.00 60.14 H new ATOM 0 HG21 THR A 37 37.362 -8.532 -10.656 1.00 15.12 H new ATOM 0 HG22 THR A 37 36.327 -8.556 -9.208 1.00 15.12 H new ATOM 0 HG23 THR A 37 36.368 -9.963 -10.297 1.00 15.12 H new ATOM 554 N ARG A 38 31.850 -8.430 -11.747 1.00 12.34 N ATOM 555 CA ARG A 38 30.745 -7.670 -12.320 1.00 62.51 C ATOM 556 C ARG A 38 29.461 -8.495 -12.321 1.00 23.10 C ATOM 557 O ARG A 38 29.462 -9.662 -12.711 1.00 21.42 O ATOM 558 CB ARG A 38 31.085 -7.234 -13.747 1.00 34.15 C ATOM 559 CG ARG A 38 31.755 -5.872 -13.824 1.00 22.35 C ATOM 560 CD ARG A 38 32.350 -5.621 -15.200 1.00 62.33 C ATOM 561 NE ARG A 38 31.400 -4.968 -16.096 1.00 71.15 N ATOM 562 CZ ARG A 38 30.538 -5.629 -16.862 1.00 11.45 C ATOM 563 NH1 ARG A 38 30.507 -6.954 -16.839 1.00 13.11 N ATOM 564 NH2 ARG A 38 29.704 -4.963 -17.651 1.00 65.20 N ATOM 0 H ARG A 38 31.813 -9.432 -11.932 1.00 12.34 H new ATOM 0 HA ARG A 38 30.587 -6.785 -11.704 1.00 62.51 H new ATOM 0 HB2 ARG A 38 31.741 -7.978 -14.199 1.00 34.15 H new ATOM 0 HB3 ARG A 38 30.170 -7.214 -14.339 1.00 34.15 H new ATOM 0 HG2 ARG A 38 31.027 -5.094 -13.594 1.00 22.35 H new ATOM 0 HG3 ARG A 38 32.540 -5.808 -13.070 1.00 22.35 H new ATOM 0 HD2 ARG A 38 33.241 -5.001 -15.102 1.00 62.33 H new ATOM 0 HD3 ARG A 38 32.667 -6.568 -15.636 1.00 62.33 H new ATOM 0 HE ARG A 38 31.398 -3.949 -16.136 1.00 71.15 H new ATOM 0 HH11 ARG A 38 31.146 -7.469 -16.233 1.00 13.11 H new ATOM 0 HH12 ARG A 38 29.845 -7.459 -17.428 1.00 13.11 H new ATOM 0 HH21 ARG A 38 29.724 -3.943 -17.670 1.00 65.20 H new ATOM 0 HH22 ARG A 38 29.043 -5.471 -18.239 1.00 65.20 H new ATOM 578 N MET A 39 28.369 -7.880 -11.881 1.00 54.32 N ATOM 579 CA MET A 39 27.078 -8.557 -11.832 1.00 50.11 C ATOM 580 C MET A 39 25.940 -7.579 -12.107 1.00 60.01 C ATOM 581 O MET A 39 26.167 -6.384 -12.297 1.00 51.11 O ATOM 582 CB MET A 39 26.878 -9.220 -10.468 1.00 74.10 C ATOM 583 CG MET A 39 26.736 -8.228 -9.325 1.00 21.21 C ATOM 584 SD MET A 39 27.029 -8.980 -7.713 1.00 24.05 S ATOM 585 CE MET A 39 28.765 -8.608 -7.476 1.00 43.41 C ATOM 0 H MET A 39 28.352 -6.914 -11.553 1.00 54.32 H new ATOM 0 HA MET A 39 27.068 -9.324 -12.606 1.00 50.11 H new ATOM 0 HB2 MET A 39 25.988 -9.848 -10.506 1.00 74.10 H new ATOM 0 HB3 MET A 39 27.724 -9.877 -10.265 1.00 74.10 H new ATOM 0 HG2 MET A 39 27.438 -7.407 -9.472 1.00 21.21 H new ATOM 0 HG3 MET A 39 25.735 -7.798 -9.344 1.00 21.21 H new ATOM 0 HE1 MET A 39 29.096 -9.010 -6.518 1.00 43.41 H new ATOM 0 HE2 MET A 39 29.347 -9.059 -8.280 1.00 43.41 H new ATOM 0 HE3 MET A 39 28.910 -7.528 -7.486 1.00 43.41 H new ATOM 595 N LYS A 40 24.715 -8.094 -12.127 1.00 43.04 N ATOM 596 CA LYS A 40 23.541 -7.267 -12.378 1.00 41.22 C ATOM 597 C LYS A 40 22.303 -7.865 -11.718 1.00 71.35 C ATOM 598 O LYS A 40 22.075 -9.073 -11.783 1.00 63.44 O ATOM 599 CB LYS A 40 23.309 -7.118 -13.884 1.00 35.35 C ATOM 600 CG LYS A 40 23.465 -8.418 -14.654 1.00 40.33 C ATOM 601 CD LYS A 40 23.242 -8.213 -16.143 1.00 65.04 C ATOM 602 CE LYS A 40 21.846 -7.683 -16.431 1.00 31.34 C ATOM 603 NZ LYS A 40 21.806 -6.195 -16.429 1.00 1.35 N ATOM 0 H LYS A 40 24.510 -9.081 -11.972 1.00 43.04 H new ATOM 0 HA LYS A 40 23.721 -6.283 -11.946 1.00 41.22 H new ATOM 0 HB2 LYS A 40 22.307 -6.724 -14.052 1.00 35.35 H new ATOM 0 HB3 LYS A 40 24.010 -6.384 -14.281 1.00 35.35 H new ATOM 0 HG2 LYS A 40 24.463 -8.824 -14.487 1.00 40.33 H new ATOM 0 HG3 LYS A 40 22.755 -9.153 -14.276 1.00 40.33 H new ATOM 0 HD2 LYS A 40 23.984 -7.515 -16.530 1.00 65.04 H new ATOM 0 HD3 LYS A 40 23.389 -9.157 -16.667 1.00 65.04 H new ATOM 0 HE2 LYS A 40 21.509 -8.054 -17.399 1.00 31.34 H new ATOM 0 HE3 LYS A 40 21.151 -8.066 -15.684 1.00 31.34 H new ATOM 0 HZ1 LYS A 40 21.118 -5.867 -15.721 1.00 1.35 H new ATOM 0 HZ2 LYS A 40 22.748 -5.823 -16.195 1.00 1.35 H new ATOM 0 HZ3 LYS A 40 21.523 -5.854 -17.370 1.00 1.35 H new ATOM 617 N VAL A 41 21.505 -7.012 -11.085 1.00 33.14 N ATOM 618 CA VAL A 41 20.288 -7.457 -10.415 1.00 50.53 C ATOM 619 C VAL A 41 19.078 -6.658 -10.887 1.00 61.13 C ATOM 620 O VAL A 41 19.186 -5.470 -11.191 1.00 75.12 O ATOM 621 CB VAL A 41 20.410 -7.327 -8.885 1.00 53.13 C ATOM 622 CG1 VAL A 41 20.600 -5.872 -8.486 1.00 43.41 C ATOM 623 CG2 VAL A 41 19.187 -7.920 -8.202 1.00 31.01 C ATOM 0 H VAL A 41 21.679 -6.009 -11.022 1.00 33.14 H new ATOM 0 HA VAL A 41 20.150 -8.507 -10.673 1.00 50.53 H new ATOM 0 HB VAL A 41 21.287 -7.885 -8.559 1.00 53.13 H new ATOM 0 HG11 VAL A 41 20.684 -5.800 -7.402 1.00 43.41 H new ATOM 0 HG12 VAL A 41 21.508 -5.484 -8.947 1.00 43.41 H new ATOM 0 HG13 VAL A 41 19.744 -5.288 -8.823 1.00 43.41 H new ATOM 0 HG21 VAL A 41 19.289 -7.820 -7.121 1.00 31.01 H new ATOM 0 HG22 VAL A 41 18.293 -7.391 -8.532 1.00 31.01 H new ATOM 0 HG23 VAL A 41 19.101 -8.975 -8.462 1.00 31.01 H new ATOM 633 N SER A 42 17.926 -7.319 -10.946 1.00 2.20 N ATOM 634 CA SER A 42 16.695 -6.672 -11.384 1.00 42.44 C ATOM 635 C SER A 42 15.515 -7.110 -10.523 1.00 75.03 C ATOM 636 O SER A 42 15.333 -8.298 -10.256 1.00 30.03 O ATOM 637 CB SER A 42 16.418 -6.997 -12.853 1.00 43.24 C ATOM 638 OG SER A 42 16.851 -8.307 -13.176 1.00 34.31 O ATOM 0 H SER A 42 17.820 -8.302 -10.696 1.00 2.20 H new ATOM 0 HA SER A 42 16.821 -5.595 -11.275 1.00 42.44 H new ATOM 0 HB2 SER A 42 15.351 -6.903 -13.054 1.00 43.24 H new ATOM 0 HB3 SER A 42 16.927 -6.275 -13.491 1.00 43.24 H new ATOM 0 HG SER A 42 16.661 -8.491 -14.120 1.00 34.31 H new ATOM 644 N LYS A 43 14.714 -6.142 -10.092 1.00 15.23 N ATOM 645 CA LYS A 43 13.549 -6.425 -9.262 1.00 14.13 C ATOM 646 C LYS A 43 12.339 -5.623 -9.731 1.00 34.24 C ATOM 647 O LYS A 43 12.476 -4.500 -10.214 1.00 1.50 O ATOM 648 CB LYS A 43 13.850 -6.103 -7.796 1.00 44.33 C ATOM 649 CG LYS A 43 15.090 -6.800 -7.263 1.00 42.42 C ATOM 650 CD LYS A 43 15.771 -5.977 -6.182 1.00 41.35 C ATOM 651 CE LYS A 43 16.807 -6.796 -5.428 1.00 13.14 C ATOM 652 NZ LYS A 43 16.172 -7.804 -4.534 1.00 24.30 N ATOM 0 H LYS A 43 14.850 -5.154 -10.304 1.00 15.23 H new ATOM 0 HA LYS A 43 13.318 -7.486 -9.354 1.00 14.13 H new ATOM 0 HB2 LYS A 43 13.974 -5.026 -7.687 1.00 44.33 H new ATOM 0 HB3 LYS A 43 12.993 -6.388 -7.186 1.00 44.33 H new ATOM 0 HG2 LYS A 43 14.816 -7.775 -6.861 1.00 42.42 H new ATOM 0 HG3 LYS A 43 15.789 -6.978 -8.081 1.00 42.42 H new ATOM 0 HD2 LYS A 43 16.250 -5.108 -6.633 1.00 41.35 H new ATOM 0 HD3 LYS A 43 15.023 -5.602 -5.483 1.00 41.35 H new ATOM 0 HE2 LYS A 43 17.459 -7.302 -6.140 1.00 13.14 H new ATOM 0 HE3 LYS A 43 17.436 -6.131 -4.837 1.00 13.14 H new ATOM 0 HZ1 LYS A 43 16.876 -8.520 -4.263 1.00 24.30 H new ATOM 0 HZ2 LYS A 43 15.812 -7.333 -3.680 1.00 24.30 H new ATOM 0 HZ3 LYS A 43 15.384 -8.264 -5.034 1.00 24.30 H new ATOM 666 N SER A 44 11.154 -6.208 -9.583 1.00 50.33 N ATOM 667 CA SER A 44 9.920 -5.548 -9.994 1.00 71.31 C ATOM 668 C SER A 44 8.703 -6.262 -9.412 1.00 42.43 C ATOM 669 O SER A 44 8.829 -7.302 -8.766 1.00 20.03 O ATOM 670 CB SER A 44 9.821 -5.510 -11.520 1.00 41.53 C ATOM 671 OG SER A 44 10.016 -6.798 -12.077 1.00 22.02 O ATOM 0 H SER A 44 11.023 -7.137 -9.182 1.00 50.33 H new ATOM 0 HA SER A 44 9.938 -4.527 -9.613 1.00 71.31 H new ATOM 0 HB2 SER A 44 8.844 -5.127 -11.814 1.00 41.53 H new ATOM 0 HB3 SER A 44 10.566 -4.822 -11.919 1.00 41.53 H new ATOM 0 HG SER A 44 9.946 -6.746 -13.053 1.00 22.02 H new ATOM 677 N CYS A 45 7.525 -5.694 -9.647 1.00 34.43 N ATOM 678 CA CYS A 45 6.284 -6.274 -9.147 1.00 13.42 C ATOM 679 C CYS A 45 5.643 -7.177 -10.197 1.00 2.21 C ATOM 680 O CYS A 45 5.589 -6.833 -11.378 1.00 3.02 O ATOM 681 CB CYS A 45 5.306 -5.168 -8.745 1.00 11.34 C ATOM 682 SG CYS A 45 5.582 -4.504 -7.071 1.00 2.51 S ATOM 0 H CYS A 45 7.404 -4.833 -10.180 1.00 34.43 H new ATOM 0 HA CYS A 45 6.521 -6.877 -8.271 1.00 13.42 H new ATOM 0 HB2 CYS A 45 5.380 -4.353 -9.465 1.00 11.34 H new ATOM 0 HB3 CYS A 45 4.289 -5.556 -8.807 1.00 11.34 H new ATOM 687 N VAL A 46 5.158 -8.334 -9.758 1.00 24.02 N ATOM 688 CA VAL A 46 4.520 -9.287 -10.658 1.00 42.55 C ATOM 689 C VAL A 46 3.457 -10.102 -9.932 1.00 32.31 C ATOM 690 O VAL A 46 3.528 -10.324 -8.723 1.00 34.21 O ATOM 691 CB VAL A 46 5.551 -10.246 -11.282 1.00 73.51 C ATOM 692 CG1 VAL A 46 6.574 -9.474 -12.101 1.00 13.45 C ATOM 693 CG2 VAL A 46 6.233 -11.070 -10.201 1.00 24.33 C ATOM 0 H VAL A 46 5.195 -8.634 -8.784 1.00 24.02 H new ATOM 0 HA VAL A 46 4.049 -8.707 -11.451 1.00 42.55 H new ATOM 0 HB VAL A 46 5.027 -10.928 -11.952 1.00 73.51 H new ATOM 0 HG11 VAL A 46 7.293 -10.169 -12.533 1.00 13.45 H new ATOM 0 HG12 VAL A 46 6.067 -8.933 -12.900 1.00 13.45 H new ATOM 0 HG13 VAL A 46 7.096 -8.766 -11.457 1.00 13.45 H new ATOM 0 HG21 VAL A 46 6.958 -11.742 -10.659 1.00 24.33 H new ATOM 0 HG22 VAL A 46 6.744 -10.405 -9.505 1.00 24.33 H new ATOM 0 HG23 VAL A 46 5.486 -11.654 -9.663 1.00 24.33 H new ATOM 703 N PRO A 47 2.446 -10.561 -10.685 1.00 10.12 N ATOM 704 CA PRO A 47 1.348 -11.361 -10.134 1.00 0.22 C ATOM 705 C PRO A 47 1.800 -12.756 -9.717 1.00 31.15 C ATOM 706 O PRO A 47 1.494 -13.214 -8.616 1.00 23.45 O ATOM 707 CB PRO A 47 0.354 -11.446 -11.294 1.00 54.54 C ATOM 708 CG PRO A 47 1.184 -11.269 -12.518 1.00 42.25 C ATOM 709 CD PRO A 47 2.297 -10.335 -12.132 1.00 44.43 C ATOM 0 HA PRO A 47 0.932 -10.915 -9.230 1.00 0.22 H new ATOM 0 HB2 PRO A 47 -0.164 -12.405 -11.302 1.00 54.54 H new ATOM 0 HB3 PRO A 47 -0.410 -10.672 -11.218 1.00 54.54 H new ATOM 0 HG2 PRO A 47 1.579 -12.225 -12.863 1.00 42.25 H new ATOM 0 HG3 PRO A 47 0.592 -10.855 -13.334 1.00 42.25 H new ATOM 0 HD2 PRO A 47 3.217 -10.562 -12.671 1.00 44.43 H new ATOM 0 HD3 PRO A 47 2.046 -9.298 -12.353 1.00 44.43 H new ATOM 717 N ARG A 48 2.529 -13.426 -10.602 1.00 63.55 N ATOM 718 CA ARG A 48 3.023 -14.770 -10.326 1.00 35.23 C ATOM 719 C ARG A 48 4.489 -14.905 -10.727 1.00 55.42 C ATOM 720 O ARG A 48 4.849 -14.687 -11.884 1.00 50.13 O ATOM 721 CB ARG A 48 2.181 -15.809 -11.070 1.00 45.43 C ATOM 722 CG ARG A 48 0.721 -15.825 -10.650 1.00 10.43 C ATOM 723 CD ARG A 48 -0.163 -16.431 -11.729 1.00 2.15 C ATOM 724 NE ARG A 48 -0.191 -17.889 -11.657 1.00 71.31 N ATOM 725 CZ ARG A 48 -1.110 -18.637 -12.259 1.00 2.14 C ATOM 726 NH1 ARG A 48 -2.070 -18.066 -12.973 1.00 31.03 N ATOM 727 NH2 ARG A 48 -1.069 -19.958 -12.147 1.00 23.41 N ATOM 0 H ARG A 48 2.791 -13.060 -11.517 1.00 63.55 H new ATOM 0 HA ARG A 48 2.941 -14.946 -9.253 1.00 35.23 H new ATOM 0 HB2 ARG A 48 2.240 -15.613 -12.141 1.00 45.43 H new ATOM 0 HB3 ARG A 48 2.609 -16.798 -10.903 1.00 45.43 H new ATOM 0 HG2 ARG A 48 0.613 -16.395 -9.727 1.00 10.43 H new ATOM 0 HG3 ARG A 48 0.391 -14.808 -10.437 1.00 10.43 H new ATOM 0 HD2 ARG A 48 -1.177 -16.043 -11.627 1.00 2.15 H new ATOM 0 HD3 ARG A 48 0.199 -16.123 -12.710 1.00 2.15 H new ATOM 0 HE ARG A 48 0.534 -18.359 -11.115 1.00 71.31 H new ATOM 0 HH11 ARG A 48 -2.104 -17.050 -13.061 1.00 31.03 H new ATOM 0 HH12 ARG A 48 -2.774 -18.642 -13.434 1.00 31.03 H new ATOM 0 HH21 ARG A 48 -0.332 -20.401 -11.598 1.00 23.41 H new ATOM 0 HH22 ARG A 48 -1.775 -20.531 -12.609 1.00 23.41 H new ATOM 741 N CYS A 49 5.330 -15.264 -9.764 1.00 31.04 N ATOM 742 CA CYS A 49 6.757 -15.427 -10.015 1.00 13.31 C ATOM 743 C CYS A 49 7.230 -16.813 -9.586 1.00 0.53 C ATOM 744 O CYS A 49 6.885 -17.291 -8.505 1.00 63.20 O ATOM 745 CB CYS A 49 7.552 -14.351 -9.273 1.00 25.45 C ATOM 746 SG CYS A 49 9.358 -14.581 -9.344 1.00 3.33 S ATOM 0 H CYS A 49 5.048 -15.448 -8.801 1.00 31.04 H new ATOM 0 HA CYS A 49 6.927 -15.321 -11.086 1.00 13.31 H new ATOM 0 HB2 CYS A 49 7.304 -13.376 -9.693 1.00 25.45 H new ATOM 0 HB3 CYS A 49 7.239 -14.338 -8.229 1.00 25.45 H new ATOM 937 N SER A 62 22.398 -17.478 -12.590 1.00 14.44 N ATOM 938 CA SER A 62 21.165 -16.707 -12.474 1.00 71.12 C ATOM 939 C SER A 62 20.228 -17.332 -11.445 1.00 72.44 C ATOM 940 O SER A 62 19.860 -18.503 -11.553 1.00 13.31 O ATOM 941 CB SER A 62 20.465 -16.619 -13.832 1.00 13.14 C ATOM 942 OG SER A 62 20.301 -17.904 -14.406 1.00 22.15 O ATOM 0 HA SER A 62 21.423 -15.702 -12.140 1.00 71.12 H new ATOM 0 HB2 SER A 62 19.491 -16.144 -13.712 1.00 13.14 H new ATOM 0 HB3 SER A 62 21.047 -15.989 -14.504 1.00 13.14 H new ATOM 0 HG SER A 62 20.103 -18.555 -13.700 1.00 22.15 H new ATOM 948 N THR A 63 19.844 -16.543 -10.447 1.00 24.25 N ATOM 949 CA THR A 63 18.952 -17.018 -9.397 1.00 55.10 C ATOM 950 C THR A 63 17.774 -16.069 -9.206 1.00 2.41 C ATOM 951 O THR A 63 17.930 -14.967 -8.678 1.00 21.03 O ATOM 952 CB THR A 63 19.693 -17.174 -8.056 1.00 45.22 C ATOM 953 OG1 THR A 63 20.767 -16.230 -7.978 1.00 2.43 O ATOM 954 CG2 THR A 63 20.240 -18.585 -7.901 1.00 40.01 C ATOM 0 H THR A 63 20.137 -15.571 -10.344 1.00 24.25 H new ATOM 0 HA THR A 63 18.583 -17.993 -9.714 1.00 55.10 H new ATOM 0 HB THR A 63 18.984 -16.986 -7.250 1.00 45.22 H new ATOM 0 HG1 THR A 63 21.555 -16.593 -8.433 1.00 2.43 H new ATOM 0 HG21 THR A 63 20.759 -18.671 -6.946 1.00 40.01 H new ATOM 0 HG22 THR A 63 19.418 -19.300 -7.932 1.00 40.01 H new ATOM 0 HG23 THR A 63 20.936 -18.797 -8.713 1.00 40.01 H new ATOM 962 N THR A 64 16.594 -16.502 -9.638 1.00 60.12 N ATOM 963 CA THR A 64 15.390 -15.691 -9.515 1.00 12.41 C ATOM 964 C THR A 64 14.610 -16.051 -8.256 1.00 20.42 C ATOM 965 O THR A 64 14.157 -17.185 -8.098 1.00 60.12 O ATOM 966 CB THR A 64 14.471 -15.859 -10.740 1.00 1.02 C ATOM 967 OG1 THR A 64 15.153 -15.436 -11.926 1.00 24.43 O ATOM 968 CG2 THR A 64 13.191 -15.054 -10.571 1.00 62.31 C ATOM 0 H THR A 64 16.447 -17.411 -10.077 1.00 60.12 H new ATOM 0 HA THR A 64 15.715 -14.652 -9.453 1.00 12.41 H new ATOM 0 HB THR A 64 14.209 -16.913 -10.828 1.00 1.02 H new ATOM 0 HG1 THR A 64 14.563 -15.548 -12.700 1.00 24.43 H new ATOM 0 HG21 THR A 64 12.558 -15.188 -11.448 1.00 62.31 H new ATOM 0 HG22 THR A 64 12.659 -15.398 -9.684 1.00 62.31 H new ATOM 0 HG23 THR A 64 13.437 -13.998 -10.460 1.00 62.31 H new ATOM 976 N SER A 65 14.456 -15.080 -7.362 1.00 4.14 N ATOM 977 CA SER A 65 13.733 -15.297 -6.114 1.00 4.30 C ATOM 978 C SER A 65 12.367 -14.619 -6.153 1.00 41.01 C ATOM 979 O SER A 65 12.192 -13.586 -6.800 1.00 13.33 O ATOM 980 CB SER A 65 14.545 -14.766 -4.931 1.00 10.23 C ATOM 981 OG SER A 65 14.412 -13.360 -4.811 1.00 31.12 O ATOM 0 H SER A 65 14.822 -14.135 -7.478 1.00 4.14 H new ATOM 0 HA SER A 65 13.584 -16.370 -5.991 1.00 4.30 H new ATOM 0 HB2 SER A 65 14.210 -15.246 -4.011 1.00 10.23 H new ATOM 0 HB3 SER A 65 15.596 -15.025 -5.061 1.00 10.23 H new ATOM 0 HG SER A 65 14.939 -13.046 -4.047 1.00 31.12 H new ATOM 987 N CYS A 66 11.401 -15.208 -5.456 1.00 62.45 N ATOM 988 CA CYS A 66 10.050 -14.664 -5.410 1.00 74.04 C ATOM 989 C CYS A 66 9.485 -14.728 -3.994 1.00 4.10 C ATOM 990 O CYS A 66 9.759 -15.667 -3.246 1.00 63.44 O ATOM 991 CB CYS A 66 9.136 -15.429 -6.370 1.00 21.20 C ATOM 992 SG CYS A 66 9.921 -15.865 -7.955 1.00 51.22 S ATOM 0 H CYS A 66 11.530 -16.063 -4.915 1.00 62.45 H new ATOM 0 HA CYS A 66 10.096 -13.619 -5.717 1.00 74.04 H new ATOM 0 HB2 CYS A 66 8.797 -16.342 -5.881 1.00 21.20 H new ATOM 0 HB3 CYS A 66 8.250 -14.826 -6.569 1.00 21.20 H new ATOM 997 N CYS A 67 8.696 -13.722 -3.632 1.00 31.44 N ATOM 998 CA CYS A 67 8.093 -13.663 -2.306 1.00 15.42 C ATOM 999 C CYS A 67 6.740 -12.958 -2.355 1.00 1.40 C ATOM 1000 O CYS A 67 6.318 -12.478 -3.407 1.00 13.25 O ATOM 1001 CB CYS A 67 9.023 -12.938 -1.331 1.00 51.44 C ATOM 1002 SG CYS A 67 10.034 -11.632 -2.101 1.00 20.12 S ATOM 0 H CYS A 67 8.459 -12.937 -4.238 1.00 31.44 H new ATOM 0 HA CYS A 67 7.939 -14.685 -1.959 1.00 15.42 H new ATOM 0 HB2 CYS A 67 8.424 -12.497 -0.534 1.00 51.44 H new ATOM 0 HB3 CYS A 67 9.685 -13.668 -0.866 1.00 51.44 H new ATOM 1007 N GLN A 68 6.067 -12.900 -1.210 1.00 44.52 N ATOM 1008 CA GLN A 68 4.763 -12.254 -1.123 1.00 50.31 C ATOM 1009 C GLN A 68 4.719 -11.270 0.042 1.00 62.14 C ATOM 1010 O GLN A 68 3.662 -10.736 0.376 1.00 13.34 O ATOM 1011 CB GLN A 68 3.661 -13.302 -0.962 1.00 71.33 C ATOM 1012 CG GLN A 68 2.275 -12.788 -1.318 1.00 63.11 C ATOM 1013 CD GLN A 68 1.179 -13.463 -0.518 1.00 30.21 C ATOM 1014 OE1 GLN A 68 0.999 -14.679 -0.593 1.00 55.01 O ATOM 1015 NE2 GLN A 68 0.439 -12.676 0.255 1.00 65.31 N ATOM 0 H GLN A 68 6.403 -13.292 -0.331 1.00 44.52 H new ATOM 0 HA GLN A 68 4.597 -11.702 -2.048 1.00 50.31 H new ATOM 0 HB2 GLN A 68 3.893 -14.161 -1.591 1.00 71.33 H new ATOM 0 HB3 GLN A 68 3.655 -13.655 0.069 1.00 71.33 H new ATOM 0 HG2 GLN A 68 2.235 -11.712 -1.146 1.00 63.11 H new ATOM 0 HG3 GLN A 68 2.094 -12.948 -2.381 1.00 63.11 H new ATOM 0 HE21 GLN A 68 0.623 -11.673 0.287 1.00 65.31 H new ATOM 0 HE22 GLN A 68 -0.313 -13.074 0.817 1.00 65.31 H new ATOM 1024 N TYR A 69 5.874 -11.036 0.655 1.00 32.03 N ATOM 1025 CA TYR A 69 5.967 -10.119 1.785 1.00 53.32 C ATOM 1026 C TYR A 69 6.399 -8.730 1.325 1.00 42.14 C ATOM 1027 O TYR A 69 7.161 -8.590 0.368 1.00 62.12 O ATOM 1028 CB TYR A 69 6.953 -10.654 2.824 1.00 64.12 C ATOM 1029 CG TYR A 69 7.345 -9.634 3.869 1.00 33.22 C ATOM 1030 CD1 TYR A 69 6.394 -9.083 4.720 1.00 43.55 C ATOM 1031 CD2 TYR A 69 8.664 -9.222 4.006 1.00 3.41 C ATOM 1032 CE1 TYR A 69 6.747 -8.150 5.676 1.00 51.12 C ATOM 1033 CE2 TYR A 69 9.026 -8.291 4.960 1.00 2.34 C ATOM 1034 CZ TYR A 69 8.064 -7.758 5.793 1.00 40.44 C ATOM 1035 OH TYR A 69 8.420 -6.829 6.744 1.00 43.15 O ATOM 0 H TYR A 69 6.759 -11.468 0.389 1.00 32.03 H new ATOM 0 HA TYR A 69 4.979 -10.041 2.239 1.00 53.32 H new ATOM 0 HB2 TYR A 69 6.512 -11.518 3.320 1.00 64.12 H new ATOM 0 HB3 TYR A 69 7.851 -11.003 2.314 1.00 64.12 H new ATOM 0 HD1 TYR A 69 5.362 -9.389 4.632 1.00 43.55 H new ATOM 0 HD2 TYR A 69 9.420 -9.637 3.355 1.00 3.41 H new ATOM 0 HE1 TYR A 69 5.996 -7.730 6.328 1.00 51.12 H new ATOM 0 HE2 TYR A 69 10.057 -7.982 5.053 1.00 2.34 H new ATOM 0 HH TYR A 69 9.385 -6.664 6.695 1.00 43.15 H new ATOM 1045 N ASP A 70 5.908 -7.706 2.013 1.00 34.04 N ATOM 1046 CA ASP A 70 6.243 -6.327 1.678 1.00 24.10 C ATOM 1047 C ASP A 70 7.744 -6.086 1.810 1.00 11.34 C ATOM 1048 O ASP A 70 8.365 -6.494 2.793 1.00 51.32 O ATOM 1049 CB ASP A 70 5.477 -5.359 2.581 1.00 70.04 C ATOM 1050 CG ASP A 70 3.975 -5.479 2.415 1.00 32.42 C ATOM 1051 OD1 ASP A 70 3.463 -5.099 1.341 1.00 64.00 O ATOM 1052 OD2 ASP A 70 3.311 -5.955 3.360 1.00 54.15 O ATOM 0 H ASP A 70 5.276 -7.805 2.807 1.00 34.04 H new ATOM 0 HA ASP A 70 5.954 -6.150 0.642 1.00 24.10 H new ATOM 0 HB2 ASP A 70 5.741 -5.550 3.621 1.00 70.04 H new ATOM 0 HB3 ASP A 70 5.784 -4.337 2.357 1.00 70.04 H new ATOM 1057 N LEU A 71 8.321 -5.421 0.815 1.00 30.42 N ATOM 1058 CA LEU A 71 9.750 -5.126 0.819 1.00 34.24 C ATOM 1059 C LEU A 71 10.564 -6.382 1.112 1.00 63.23 C ATOM 1060 O LEU A 71 11.643 -6.312 1.701 1.00 22.22 O ATOM 1061 CB LEU A 71 10.064 -4.047 1.857 1.00 24.31 C ATOM 1062 CG LEU A 71 9.250 -2.757 1.752 1.00 24.22 C ATOM 1063 CD1 LEU A 71 9.882 -1.657 2.591 1.00 24.52 C ATOM 1064 CD2 LEU A 71 9.129 -2.320 0.300 1.00 44.43 C ATOM 0 H LEU A 71 7.822 -5.076 -0.005 1.00 30.42 H new ATOM 0 HA LEU A 71 10.024 -4.761 -0.171 1.00 34.24 H new ATOM 0 HB2 LEU A 71 9.910 -4.470 2.850 1.00 24.31 H new ATOM 0 HB3 LEU A 71 11.121 -3.793 1.779 1.00 24.31 H new ATOM 0 HG LEU A 71 8.249 -2.949 2.137 1.00 24.22 H new ATOM 0 HD11 LEU A 71 9.289 -0.747 2.504 1.00 24.52 H new ATOM 0 HD12 LEU A 71 9.916 -1.969 3.635 1.00 24.52 H new ATOM 0 HD13 LEU A 71 10.895 -1.465 2.237 1.00 24.52 H new ATOM 0 HD21 LEU A 71 8.547 -1.400 0.244 1.00 44.43 H new ATOM 0 HD22 LEU A 71 10.123 -2.145 -0.111 1.00 44.43 H new ATOM 0 HD23 LEU A 71 8.630 -3.101 -0.275 1.00 44.43 H new ATOM 1076 N CYS A 72 10.042 -7.530 0.694 1.00 61.41 N ATOM 1077 CA CYS A 72 10.721 -8.803 0.909 1.00 52.34 C ATOM 1078 C CYS A 72 12.031 -8.858 0.129 1.00 64.50 C ATOM 1079 O CYS A 72 12.987 -9.511 0.547 1.00 33.10 O ATOM 1080 CB CYS A 72 9.816 -9.964 0.491 1.00 44.11 C ATOM 1081 SG CYS A 72 9.371 -9.961 -1.275 1.00 54.04 S ATOM 0 H CYS A 72 9.151 -7.605 0.204 1.00 61.41 H new ATOM 0 HA CYS A 72 10.947 -8.892 1.972 1.00 52.34 H new ATOM 0 HB2 CYS A 72 10.316 -10.903 0.727 1.00 44.11 H new ATOM 0 HB3 CYS A 72 8.903 -9.931 1.085 1.00 44.11 H new ATOM 1086 N ASN A 73 12.068 -8.169 -1.007 1.00 12.45 N ATOM 1087 CA ASN A 73 13.261 -8.140 -1.845 1.00 54.42 C ATOM 1088 C ASN A 73 14.120 -6.920 -1.527 1.00 12.31 C ATOM 1089 O ASN A 73 14.879 -6.445 -2.371 1.00 13.54 O ATOM 1090 CB ASN A 73 12.869 -8.130 -3.324 1.00 43.23 C ATOM 1091 CG ASN A 73 12.106 -6.878 -3.712 1.00 42.02 C ATOM 1092 OD1 ASN A 73 11.678 -6.107 -2.853 1.00 25.00 O ATOM 1093 ND2 ASN A 73 11.932 -6.671 -5.012 1.00 51.43 N ATOM 0 H ASN A 73 11.286 -7.623 -1.368 1.00 12.45 H new ATOM 0 HA ASN A 73 13.844 -9.037 -1.636 1.00 54.42 H new ATOM 0 HB2 ASN A 73 13.768 -8.209 -3.936 1.00 43.23 H new ATOM 0 HB3 ASN A 73 12.258 -9.006 -3.541 1.00 43.23 H new ATOM 0 HD21 ASN A 73 11.426 -5.846 -5.334 1.00 51.43 H new ATOM 0 HD22 ASN A 73 12.304 -7.337 -5.689 1.00 51.43 H new ATOM 1100 N GLY A 74 13.995 -6.418 -0.302 1.00 53.50 N ATOM 1101 CA GLY A 74 14.766 -5.258 0.107 1.00 54.03 C ATOM 1102 C GLY A 74 16.217 -5.595 0.385 1.00 31.40 C ATOM 1103 O GLY A 74 17.054 -5.559 -0.517 1.00 54.30 O ATOM 0 H GLY A 74 13.374 -6.794 0.414 1.00 53.50 H new ATOM 0 HA2 GLY A 74 14.716 -4.499 -0.673 1.00 54.03 H new ATOM 0 HA3 GLY A 74 14.319 -4.825 1.002 1.00 54.03 H new