USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 595 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 59 ASN : amide:sc= 1.21 K(o=2.5,f=0.7) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.24) USER MOD Set 2.1: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 GLN : amide:sc= 1.09 K(o=1.1,f=-0.0095) USER MOD Set 3.1: A 12 TYR OH : rot -152:sc= 1.08 USER MOD Set 3.2: A 14 SER OG : rot 180:sc= 0.934 USER MOD Single : A 1 LYS N :NH3+ 142:sc= 0.0113 (180deg=-0.0215) USER MOD Single : A 1 LYS NZ :NH3+ 156:sc= 1.08 (180deg=0.565) USER MOD Single : A 3 THR OG1 : rot -50:sc= 1.05 USER MOD Single : A 5 GLN : amide:sc= 0.911 K(o=0.91,f=-0.0015) USER MOD Single : A 9 ASN : amide:sc= 0.0957 K(o=0.096,f=-7!) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= 0.633 (180deg=0.0607) USER MOD Single : A 17 SER OG : rot 180:sc= 0.388 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0872) USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= 1.15 (180deg=0.731) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= 1.11 (180deg=0.608) USER MOD Single : A 26 TYR OH : rot -16:sc= 1.14 USER MOD Single : A 38 ASN : amide:sc= 2.17 K(o=2.2,f=-5.3!) USER MOD Single : A 47 HIS : no HE2:sc= 0.768 K(o=0.77,f=-3.7!) USER MOD Single : A 57 TYR OH : rot 165:sc= 1.11 USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= 0.837 (180deg=0.668) USER MOD Single : A 66 SER OG : rot -65:sc= 1.07 USER MOD Single : A 74 ASN : amide:sc= 0.818 K(o=0.82,f=-4.5!) USER MOD Single : A 75 MET CE :methyl 169:sc= 0 (180deg=-0.166) USER MOD Single : A 79 TYR OH : rot 145:sc= 1.21 USER MOD Single : A 82 THR OG1 : rot -17:sc= 1.17 USER MOD Single : A 84 ASN : amide:sc= 0.507 K(o=0.51,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -2.332 14.939 -15.131 1.00 0.00 N ATOM 2 CA LYS A 1 -1.982 13.994 -14.055 1.00 0.00 C ATOM 3 C LYS A 1 -0.830 14.541 -13.207 1.00 0.00 C ATOM 4 O LYS A 1 0.076 15.188 -13.732 1.00 0.00 O ATOM 5 CB LYS A 1 -1.654 12.603 -14.619 1.00 0.00 C ATOM 6 CG LYS A 1 -0.537 12.617 -15.672 1.00 0.00 C ATOM 7 CD LYS A 1 -0.225 11.181 -16.108 1.00 0.00 C ATOM 8 CE LYS A 1 0.887 11.122 -17.161 1.00 0.00 C ATOM 9 NZ LYS A 1 2.156 11.668 -16.649 1.00 0.00 N ATOM 0 H1 LYS A 1 -2.569 14.410 -15.994 1.00 0.00 H new ATOM 0 H2 LYS A 1 -3.151 15.510 -14.839 1.00 0.00 H new ATOM 0 H3 LYS A 1 -1.523 15.565 -15.320 1.00 0.00 H new ATOM 0 HA LYS A 1 -2.851 13.883 -13.407 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -1.361 11.947 -13.799 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -2.555 12.178 -15.062 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -0.842 13.211 -16.533 1.00 0.00 H new ATOM 0 HG3 LYS A 1 0.357 13.086 -15.262 1.00 0.00 H new ATOM 0 HD2 LYS A 1 0.070 10.595 -15.237 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.128 10.721 -16.510 1.00 0.00 H new ATOM 0 HE2 LYS A 1 1.036 10.089 -17.474 1.00 0.00 H new ATOM 0 HE3 LYS A 1 0.581 11.682 -18.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 2.950 11.264 -17.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 2.157 12.703 -16.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 2.259 11.423 -15.643 1.00 0.00 H new ATOM 25 N ALA A 2 -0.839 14.264 -11.902 1.00 0.00 N ATOM 26 CA ALA A 2 0.228 14.652 -10.991 1.00 0.00 C ATOM 27 C ALA A 2 1.416 13.706 -11.168 1.00 0.00 C ATOM 28 O ALA A 2 1.779 12.968 -10.254 1.00 0.00 O ATOM 29 CB ALA A 2 -0.298 14.667 -9.553 1.00 0.00 C ATOM 0 H ALA A 2 -1.599 13.758 -11.447 1.00 0.00 H new ATOM 0 HA ALA A 2 0.573 15.661 -11.219 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.504 14.958 -8.875 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.118 15.381 -9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.656 13.673 -9.286 1.00 0.00 H new ATOM 35 N THR A 3 2.031 13.751 -12.352 1.00 0.00 N ATOM 36 CA THR A 3 3.161 12.939 -12.787 1.00 0.00 C ATOM 37 C THR A 3 2.814 11.446 -12.842 1.00 0.00 C ATOM 38 O THR A 3 2.436 10.936 -13.897 1.00 0.00 O ATOM 39 CB THR A 3 4.451 13.253 -11.996 1.00 0.00 C ATOM 40 OG1 THR A 3 4.399 12.828 -10.648 1.00 0.00 O ATOM 41 CG2 THR A 3 4.776 14.749 -12.024 1.00 0.00 C ATOM 0 H THR A 3 1.730 14.401 -13.078 1.00 0.00 H new ATOM 0 HA THR A 3 3.382 13.222 -13.816 1.00 0.00 H new ATOM 0 HB THR A 3 5.236 12.689 -12.500 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.569 13.147 -10.236 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.689 14.934 -11.458 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.917 15.071 -13.056 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.954 15.308 -11.578 1.00 0.00 H new ATOM 49 N MET A 4 2.963 10.736 -11.724 1.00 0.00 N ATOM 50 CA MET A 4 2.885 9.284 -11.659 1.00 0.00 C ATOM 51 C MET A 4 1.435 8.789 -11.688 1.00 0.00 C ATOM 52 O MET A 4 0.978 8.151 -10.740 1.00 0.00 O ATOM 53 CB MET A 4 3.645 8.779 -10.421 1.00 0.00 C ATOM 54 CG MET A 4 5.120 9.201 -10.439 1.00 0.00 C ATOM 55 SD MET A 4 6.137 8.456 -9.139 1.00 0.00 S ATOM 56 CE MET A 4 7.701 9.296 -9.475 1.00 0.00 C ATOM 0 H MET A 4 3.146 11.169 -10.819 1.00 0.00 H new ATOM 0 HA MET A 4 3.362 8.869 -12.547 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.168 9.166 -9.520 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.580 7.692 -10.374 1.00 0.00 H new ATOM 0 HG2 MET A 4 5.546 8.941 -11.408 1.00 0.00 H new ATOM 0 HG3 MET A 4 5.174 10.286 -10.347 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.455 8.959 -8.764 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.028 9.064 -10.489 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.564 10.373 -9.375 1.00 0.00 H new ATOM 66 N GLN A 5 0.723 9.035 -12.794 1.00 0.00 N ATOM 67 CA GLN A 5 -0.613 8.511 -13.110 1.00 0.00 C ATOM 68 C GLN A 5 -1.715 9.252 -12.343 1.00 0.00 C ATOM 69 O GLN A 5 -2.730 9.636 -12.919 1.00 0.00 O ATOM 70 CB GLN A 5 -0.727 6.996 -12.851 1.00 0.00 C ATOM 71 CG GLN A 5 0.428 6.159 -13.432 1.00 0.00 C ATOM 72 CD GLN A 5 0.841 5.027 -12.495 1.00 0.00 C ATOM 73 OE1 GLN A 5 0.834 3.863 -12.878 1.00 0.00 O ATOM 74 NE2 GLN A 5 1.216 5.358 -11.261 1.00 0.00 N ATOM 0 H GLN A 5 1.082 9.638 -13.534 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.754 8.684 -14.177 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.776 6.827 -11.775 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.666 6.638 -13.273 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.126 5.742 -14.393 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.285 6.805 -13.620 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.211 6.336 -10.972 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.508 4.633 -10.605 1.00 0.00 H new ATOM 83 N CYS A 6 -1.511 9.398 -11.034 1.00 0.00 N ATOM 84 CA CYS A 6 -2.419 9.981 -10.059 1.00 0.00 C ATOM 85 C CYS A 6 -2.689 11.474 -10.294 1.00 0.00 C ATOM 86 O CYS A 6 -2.363 12.034 -11.338 1.00 0.00 O ATOM 87 CB CYS A 6 -1.756 9.766 -8.703 1.00 0.00 C ATOM 88 SG CYS A 6 -0.342 10.863 -8.471 1.00 0.00 S ATOM 0 H CYS A 6 -0.642 9.088 -10.600 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.397 9.505 -10.132 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.484 9.938 -7.910 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.430 8.729 -8.617 1.00 0.00 H new ATOM 93 N GLY A 7 -3.293 12.137 -9.304 1.00 0.00 N ATOM 94 CA GLY A 7 -3.784 13.508 -9.371 1.00 0.00 C ATOM 95 C GLY A 7 -5.177 13.567 -8.747 1.00 0.00 C ATOM 96 O GLY A 7 -5.522 14.514 -8.041 1.00 0.00 O ATOM 0 H GLY A 7 -3.459 11.709 -8.393 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.106 14.177 -8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.821 13.845 -10.407 1.00 0.00 H new ATOM 100 N GLU A 8 -5.980 12.532 -9.002 1.00 0.00 N ATOM 101 CA GLU A 8 -7.315 12.392 -8.447 1.00 0.00 C ATOM 102 C GLU A 8 -7.218 12.148 -6.939 1.00 0.00 C ATOM 103 O GLU A 8 -7.202 11.000 -6.501 1.00 0.00 O ATOM 104 CB GLU A 8 -8.046 11.243 -9.155 1.00 0.00 C ATOM 105 CG GLU A 8 -8.215 11.512 -10.657 1.00 0.00 C ATOM 106 CD GLU A 8 -8.993 10.386 -11.329 1.00 0.00 C ATOM 107 OE1 GLU A 8 -8.338 9.388 -11.700 1.00 0.00 O ATOM 108 OE2 GLU A 8 -10.228 10.540 -11.447 1.00 0.00 O ATOM 0 H GLU A 8 -5.711 11.759 -9.610 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.886 13.307 -8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.490 10.316 -9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.026 11.100 -8.699 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.737 12.458 -10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.236 11.612 -11.125 1.00 0.00 H new ATOM 115 N ASN A 9 -7.137 13.228 -6.155 1.00 0.00 N ATOM 116 CA ASN A 9 -7.070 13.230 -4.692 1.00 0.00 C ATOM 117 C ASN A 9 -5.681 12.795 -4.225 1.00 0.00 C ATOM 118 O ASN A 9 -4.982 13.556 -3.557 1.00 0.00 O ATOM 119 CB ASN A 9 -8.212 12.408 -4.067 1.00 0.00 C ATOM 120 CG ASN A 9 -8.269 12.524 -2.548 1.00 0.00 C ATOM 121 OD1 ASN A 9 -7.255 12.734 -1.891 1.00 0.00 O ATOM 122 ND2 ASN A 9 -9.459 12.364 -1.977 1.00 0.00 N ATOM 0 H ASN A 9 -7.115 14.171 -6.544 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.221 14.249 -4.335 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.162 12.739 -4.487 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.090 11.360 -4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.549 12.415 -0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.282 12.191 -2.554 1.00 0.00 H new ATOM 129 N GLU A 10 -5.267 11.582 -4.593 1.00 0.00 N ATOM 130 CA GLU A 10 -3.891 11.158 -4.404 1.00 0.00 C ATOM 131 C GLU A 10 -3.027 11.926 -5.415 1.00 0.00 C ATOM 132 O GLU A 10 -3.381 11.986 -6.591 1.00 0.00 O ATOM 133 CB GLU A 10 -3.759 9.632 -4.535 1.00 0.00 C ATOM 134 CG GLU A 10 -4.537 9.033 -5.717 1.00 0.00 C ATOM 135 CD GLU A 10 -4.058 7.620 -6.030 1.00 0.00 C ATOM 136 OE1 GLU A 10 -2.971 7.516 -6.638 1.00 0.00 O ATOM 137 OE2 GLU A 10 -4.784 6.673 -5.656 1.00 0.00 O ATOM 0 H GLU A 10 -5.869 10.880 -5.023 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.546 11.389 -3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.705 9.377 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.107 9.168 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.602 9.016 -5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.413 9.665 -6.596 1.00 0.00 H new ATOM 144 N LYS A 11 -1.923 12.528 -4.965 1.00 0.00 N ATOM 145 CA LYS A 11 -1.026 13.367 -5.751 1.00 0.00 C ATOM 146 C LYS A 11 0.420 13.045 -5.357 1.00 0.00 C ATOM 147 O LYS A 11 0.672 12.683 -4.209 1.00 0.00 O ATOM 148 CB LYS A 11 -1.386 14.846 -5.527 1.00 0.00 C ATOM 149 CG LYS A 11 -1.129 15.325 -4.087 1.00 0.00 C ATOM 150 CD LYS A 11 0.212 16.069 -3.965 1.00 0.00 C ATOM 151 CE LYS A 11 0.787 16.001 -2.545 1.00 0.00 C ATOM 152 NZ LYS A 11 -0.192 16.401 -1.519 1.00 0.00 N ATOM 0 H LYS A 11 -1.619 12.437 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.133 13.168 -6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.807 15.462 -6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.438 14.997 -5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.940 15.982 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.133 14.469 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.928 15.640 -4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.074 17.112 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.126 14.985 -2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.662 16.648 -2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.306 16.633 -0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.719 17.235 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.855 15.618 -1.347 1.00 0.00 H new ATOM 166 N TYR A 12 1.360 13.132 -6.302 1.00 0.00 N ATOM 167 CA TYR A 12 2.740 12.704 -6.096 1.00 0.00 C ATOM 168 C TYR A 12 3.401 13.346 -4.869 1.00 0.00 C ATOM 169 O TYR A 12 3.299 14.556 -4.676 1.00 0.00 O ATOM 170 CB TYR A 12 3.578 13.002 -7.346 1.00 0.00 C ATOM 171 CG TYR A 12 5.043 12.667 -7.145 1.00 0.00 C ATOM 172 CD1 TYR A 12 5.417 11.314 -7.079 1.00 0.00 C ATOM 173 CD2 TYR A 12 5.926 13.654 -6.664 1.00 0.00 C ATOM 174 CE1 TYR A 12 6.650 10.951 -6.514 1.00 0.00 C ATOM 175 CE2 TYR A 12 7.139 13.285 -6.055 1.00 0.00 C ATOM 176 CZ TYR A 12 7.492 11.929 -5.962 1.00 0.00 C ATOM 177 OH TYR A 12 8.620 11.550 -5.298 1.00 0.00 O ATOM 0 H TYR A 12 1.181 13.504 -7.235 1.00 0.00 H new ATOM 0 HA TYR A 12 2.703 11.631 -5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.188 12.430 -8.188 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.480 14.056 -7.604 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.755 10.552 -7.463 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.670 14.699 -6.763 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.952 9.914 -6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.798 14.044 -5.659 1.00 0.00 H new ATOM 0 HH TYR A 12 8.849 12.229 -4.629 1.00 0.00 H new ATOM 187 N ASP A 13 4.135 12.545 -4.086 1.00 0.00 N ATOM 188 CA ASP A 13 5.008 13.028 -3.029 1.00 0.00 C ATOM 189 C ASP A 13 6.121 12.007 -2.793 1.00 0.00 C ATOM 190 O ASP A 13 5.955 10.805 -3.001 1.00 0.00 O ATOM 191 CB ASP A 13 4.221 13.284 -1.742 1.00 0.00 C ATOM 192 CG ASP A 13 5.118 13.720 -0.587 1.00 0.00 C ATOM 193 OD1 ASP A 13 5.996 14.574 -0.839 1.00 0.00 O ATOM 194 OD2 ASP A 13 4.927 13.172 0.520 1.00 0.00 O ATOM 0 H ASP A 13 4.133 11.529 -4.177 1.00 0.00 H new ATOM 0 HA ASP A 13 5.449 13.977 -3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.470 14.053 -1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.686 12.377 -1.460 1.00 0.00 H new ATOM 199 N SER A 14 7.270 12.476 -2.319 1.00 0.00 N ATOM 200 CA SER A 14 8.398 11.619 -2.009 1.00 0.00 C ATOM 201 C SER A 14 8.210 10.908 -0.665 1.00 0.00 C ATOM 202 O SER A 14 9.136 10.919 0.142 1.00 0.00 O ATOM 203 CB SER A 14 9.675 12.462 -2.063 1.00 0.00 C ATOM 204 OG SER A 14 9.739 13.126 -3.318 1.00 0.00 O ATOM 0 H SER A 14 7.441 13.465 -2.140 1.00 0.00 H new ATOM 0 HA SER A 14 8.476 10.822 -2.748 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.680 13.190 -1.251 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.551 11.827 -1.928 1.00 0.00 H new ATOM 0 HG SER A 14 10.554 13.669 -3.360 1.00 0.00 H new ATOM 210 N CYS A 15 7.044 10.287 -0.418 1.00 0.00 N ATOM 211 CA CYS A 15 6.820 9.539 0.820 1.00 0.00 C ATOM 212 C CYS A 15 5.594 8.618 0.817 1.00 0.00 C ATOM 213 O CYS A 15 4.601 8.887 1.491 1.00 0.00 O ATOM 214 CB CYS A 15 6.772 10.447 2.056 1.00 0.00 C ATOM 215 SG CYS A 15 6.989 9.515 3.594 1.00 0.00 S ATOM 0 H CYS A 15 6.250 10.291 -1.058 1.00 0.00 H new ATOM 0 HA CYS A 15 7.695 8.891 0.875 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.551 11.205 1.979 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.817 10.973 2.083 1.00 0.00 H new ATOM 220 N GLY A 16 5.671 7.489 0.113 1.00 0.00 N ATOM 221 CA GLY A 16 4.665 6.440 0.222 1.00 0.00 C ATOM 222 C GLY A 16 3.319 6.836 -0.377 1.00 0.00 C ATOM 223 O GLY A 16 3.250 7.711 -1.238 1.00 0.00 O ATOM 0 H GLY A 16 6.425 7.280 -0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.029 5.543 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.527 6.185 1.273 1.00 0.00 H new ATOM 227 N SER A 17 2.256 6.149 0.056 1.00 0.00 N ATOM 228 CA SER A 17 0.891 6.353 -0.398 1.00 0.00 C ATOM 229 C SER A 17 0.062 6.916 0.757 1.00 0.00 C ATOM 230 O SER A 17 0.025 8.119 0.989 1.00 0.00 O ATOM 231 CB SER A 17 0.349 5.008 -0.898 1.00 0.00 C ATOM 232 OG SER A 17 0.564 3.995 0.074 1.00 0.00 O ATOM 0 H SER A 17 2.334 5.412 0.757 1.00 0.00 H new ATOM 0 HA SER A 17 0.842 7.070 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.716 5.095 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.841 4.735 -1.832 1.00 0.00 H new ATOM 0 HG SER A 17 0.212 3.143 -0.258 1.00 0.00 H new ATOM 238 N LYS A 18 -0.550 6.028 1.539 1.00 0.00 N ATOM 239 CA LYS A 18 -1.225 6.372 2.781 1.00 0.00 C ATOM 240 C LYS A 18 -0.182 6.540 3.874 1.00 0.00 C ATOM 241 O LYS A 18 -0.148 5.811 4.865 1.00 0.00 O ATOM 242 CB LYS A 18 -2.324 5.340 3.088 1.00 0.00 C ATOM 243 CG LYS A 18 -1.853 3.876 3.137 1.00 0.00 C ATOM 244 CD LYS A 18 -3.040 2.952 3.439 1.00 0.00 C ATOM 245 CE LYS A 18 -2.619 1.481 3.536 1.00 0.00 C ATOM 246 NZ LYS A 18 -1.719 1.238 4.677 1.00 0.00 N ATOM 0 H LYS A 18 -0.589 5.033 1.320 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.747 7.326 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.778 5.591 4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.105 5.429 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.399 3.599 2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.086 3.758 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.507 3.257 4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.792 3.062 2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.506 0.856 3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.122 1.185 2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.567 0.215 4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.807 1.707 4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.147 1.620 5.544 1.00 0.00 H new ATOM 260 N GLU A 19 0.675 7.539 3.670 1.00 0.00 N ATOM 261 CA GLU A 19 1.599 7.999 4.676 1.00 0.00 C ATOM 262 C GLU A 19 0.814 8.286 5.956 1.00 0.00 C ATOM 263 O GLU A 19 -0.090 9.120 5.967 1.00 0.00 O ATOM 264 CB GLU A 19 2.390 9.220 4.177 1.00 0.00 C ATOM 265 CG GLU A 19 1.689 10.183 3.198 1.00 0.00 C ATOM 266 CD GLU A 19 0.308 10.698 3.613 1.00 0.00 C ATOM 267 OE1 GLU A 19 0.265 11.696 4.365 1.00 0.00 O ATOM 268 OE2 GLU A 19 -0.689 10.111 3.136 1.00 0.00 O ATOM 0 H GLU A 19 0.739 8.049 2.789 1.00 0.00 H new ATOM 0 HA GLU A 19 2.342 7.231 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.700 9.796 5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.298 8.856 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.340 11.043 3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.590 9.679 2.237 1.00 0.00 H new ATOM 275 N CYS A 20 1.168 7.613 7.052 1.00 0.00 N ATOM 276 CA CYS A 20 0.509 7.841 8.333 1.00 0.00 C ATOM 277 C CYS A 20 0.699 9.279 8.817 1.00 0.00 C ATOM 278 O CYS A 20 0.043 9.701 9.761 1.00 0.00 O ATOM 279 CB CYS A 20 0.966 6.805 9.348 1.00 0.00 C ATOM 280 SG CYS A 20 0.049 6.802 10.897 1.00 0.00 S ATOM 0 H CYS A 20 1.905 6.908 7.076 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.566 7.715 8.203 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.889 5.816 8.896 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.020 6.974 9.568 1.00 0.00 H new ATOM 285 N ASP A 21 1.603 10.021 8.165 1.00 0.00 N ATOM 286 CA ASP A 21 1.800 11.456 8.270 1.00 0.00 C ATOM 287 C ASP A 21 0.443 12.137 8.490 1.00 0.00 C ATOM 288 O ASP A 21 0.094 12.499 9.612 1.00 0.00 O ATOM 289 CB ASP A 21 2.435 11.928 6.950 1.00 0.00 C ATOM 290 CG ASP A 21 3.903 11.528 6.813 1.00 0.00 C ATOM 291 OD1 ASP A 21 4.202 10.348 7.105 1.00 0.00 O ATOM 292 OD2 ASP A 21 4.697 12.388 6.380 1.00 0.00 O ATOM 0 H ASP A 21 2.257 9.597 7.507 1.00 0.00 H new ATOM 0 HA ASP A 21 2.448 11.709 9.109 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.872 11.512 6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.353 13.013 6.882 1.00 0.00 H new ATOM 297 N LYS A 22 -0.367 12.238 7.433 1.00 0.00 N ATOM 298 CA LYS A 22 -1.703 12.803 7.530 1.00 0.00 C ATOM 299 C LYS A 22 -2.693 11.733 8.001 1.00 0.00 C ATOM 300 O LYS A 22 -3.659 11.417 7.302 1.00 0.00 O ATOM 301 CB LYS A 22 -2.097 13.420 6.184 1.00 0.00 C ATOM 302 CG LYS A 22 -1.133 14.548 5.787 1.00 0.00 C ATOM 303 CD LYS A 22 -1.716 15.413 4.661 1.00 0.00 C ATOM 304 CE LYS A 22 -2.034 14.610 3.395 1.00 0.00 C ATOM 305 NZ LYS A 22 -0.830 14.008 2.795 1.00 0.00 N ATOM 0 H LYS A 22 -0.112 11.931 6.494 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.721 13.600 8.273 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.096 12.649 5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.113 13.810 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.923 15.172 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.183 14.121 5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.626 15.897 5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.009 16.205 4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.748 13.823 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.513 15.262 2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.013 13.790 1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.036 14.676 2.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.590 13.132 3.302 1.00 0.00 H new ATOM 319 N LYS A 23 -2.464 11.185 9.199 1.00 0.00 N ATOM 320 CA LYS A 23 -3.403 10.263 9.823 1.00 0.00 C ATOM 321 C LYS A 23 -4.703 10.958 10.221 1.00 0.00 C ATOM 322 O LYS A 23 -4.767 12.179 10.372 1.00 0.00 O ATOM 323 CB LYS A 23 -2.779 9.488 10.998 1.00 0.00 C ATOM 324 CG LYS A 23 -2.015 10.284 12.066 1.00 0.00 C ATOM 325 CD LYS A 23 -2.910 11.167 12.943 1.00 0.00 C ATOM 326 CE LYS A 23 -2.112 11.820 14.076 1.00 0.00 C ATOM 327 NZ LYS A 23 -1.705 10.854 15.112 1.00 0.00 N ATOM 0 H LYS A 23 -1.629 11.369 9.755 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.655 9.520 9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.578 8.941 11.498 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.096 8.746 10.583 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.472 9.587 12.704 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.272 10.912 11.574 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.374 11.940 12.330 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.717 10.566 13.363 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.225 12.298 13.662 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.713 12.606 14.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.169 11.347 15.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.551 10.415 15.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.108 10.117 14.685 1.00 0.00 H new ATOM 341 N CYS A 24 -5.745 10.154 10.424 1.00 0.00 N ATOM 342 CA CYS A 24 -6.985 10.623 11.013 1.00 0.00 C ATOM 343 C CYS A 24 -6.751 10.950 12.487 1.00 0.00 C ATOM 344 O CYS A 24 -6.841 10.079 13.349 1.00 0.00 O ATOM 345 CB CYS A 24 -8.088 9.580 10.832 1.00 0.00 C ATOM 346 SG CYS A 24 -9.616 9.931 11.733 1.00 0.00 S ATOM 0 H CYS A 24 -5.748 9.163 10.184 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.314 11.531 10.508 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.320 9.497 9.770 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.708 8.610 11.153 1.00 0.00 H new ATOM 351 N LYS A 25 -6.402 12.207 12.766 1.00 0.00 N ATOM 352 CA LYS A 25 -6.331 12.704 14.129 1.00 0.00 C ATOM 353 C LYS A 25 -7.713 12.700 14.781 1.00 0.00 C ATOM 354 O LYS A 25 -8.735 12.635 14.102 1.00 0.00 O ATOM 355 CB LYS A 25 -5.625 14.069 14.197 1.00 0.00 C ATOM 356 CG LYS A 25 -6.107 15.165 13.233 1.00 0.00 C ATOM 357 CD LYS A 25 -7.539 15.682 13.429 1.00 0.00 C ATOM 358 CE LYS A 25 -7.737 16.323 14.808 1.00 0.00 C ATOM 359 NZ LYS A 25 -9.067 16.945 14.921 1.00 0.00 N ATOM 0 H LYS A 25 -6.164 12.899 12.056 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.712 12.024 14.715 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.723 14.448 15.214 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.562 13.907 14.018 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.426 16.012 13.315 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.020 14.784 12.215 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.770 16.413 12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.241 14.857 13.309 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.620 15.566 15.584 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.966 17.075 14.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.042 17.690 15.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.334 17.362 14.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.766 16.223 15.190 1.00 0.00 H new ATOM 373 N TYR A 26 -7.741 12.780 16.110 1.00 0.00 N ATOM 374 CA TYR A 26 -8.963 12.800 16.883 1.00 0.00 C ATOM 375 C TYR A 26 -8.830 13.849 17.981 1.00 0.00 C ATOM 376 O TYR A 26 -7.844 13.857 18.722 1.00 0.00 O ATOM 377 CB TYR A 26 -9.264 11.408 17.448 1.00 0.00 C ATOM 378 CG TYR A 26 -9.781 10.418 16.416 1.00 0.00 C ATOM 379 CD1 TYR A 26 -11.003 10.662 15.763 1.00 0.00 C ATOM 380 CD2 TYR A 26 -9.041 9.266 16.094 1.00 0.00 C ATOM 381 CE1 TYR A 26 -11.475 9.770 14.785 1.00 0.00 C ATOM 382 CE2 TYR A 26 -9.549 8.340 15.165 1.00 0.00 C ATOM 383 CZ TYR A 26 -10.769 8.587 14.514 1.00 0.00 C ATOM 384 OH TYR A 26 -11.271 7.667 13.641 1.00 0.00 O ATOM 0 H TYR A 26 -6.897 12.833 16.681 1.00 0.00 H new ATOM 0 HA TYR A 26 -9.807 13.069 16.247 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.356 11.006 17.898 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.001 11.503 18.246 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.581 11.539 16.014 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.082 9.092 16.560 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.381 9.995 14.242 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.999 7.436 14.951 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.223 7.846 13.489 1.00 0.00 H new ATOM 394 N ASP A 27 -9.817 14.743 18.021 1.00 0.00 N ATOM 395 CA ASP A 27 -10.076 15.721 19.064 1.00 0.00 C ATOM 396 C ASP A 27 -11.402 15.346 19.737 1.00 0.00 C ATOM 397 O ASP A 27 -12.118 14.459 19.267 1.00 0.00 O ATOM 398 CB ASP A 27 -10.113 17.122 18.432 1.00 0.00 C ATOM 399 CG ASP A 27 -10.368 18.248 19.434 1.00 0.00 C ATOM 400 OD1 ASP A 27 -9.926 18.098 20.594 1.00 0.00 O ATOM 401 OD2 ASP A 27 -10.999 19.242 19.019 1.00 0.00 O ATOM 0 H ASP A 27 -10.503 14.803 17.269 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.294 15.728 19.823 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.165 17.307 17.926 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.891 17.145 17.669 1.00 0.00 H new ATOM 406 N GLY A 28 -11.714 15.987 20.861 1.00 0.00 N ATOM 407 CA GLY A 28 -12.809 15.627 21.744 1.00 0.00 C ATOM 408 C GLY A 28 -12.227 14.744 22.834 1.00 0.00 C ATOM 409 O GLY A 28 -12.238 15.103 24.010 1.00 0.00 O ATOM 0 H GLY A 28 -11.190 16.799 21.189 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.268 16.518 22.173 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.589 15.099 21.196 1.00 0.00 H new ATOM 413 N VAL A 29 -11.657 13.624 22.391 1.00 0.00 N ATOM 414 CA VAL A 29 -10.833 12.714 23.159 1.00 0.00 C ATOM 415 C VAL A 29 -9.558 12.560 22.321 1.00 0.00 C ATOM 416 O VAL A 29 -9.547 12.946 21.149 1.00 0.00 O ATOM 417 CB VAL A 29 -11.573 11.379 23.381 1.00 0.00 C ATOM 418 CG1 VAL A 29 -10.807 10.441 24.322 1.00 0.00 C ATOM 419 CG2 VAL A 29 -12.967 11.619 23.976 1.00 0.00 C ATOM 0 H VAL A 29 -11.770 13.316 21.425 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.600 13.076 24.160 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.654 10.910 22.401 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.367 9.515 24.448 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.828 10.218 23.897 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.680 10.922 25.292 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.469 10.663 24.123 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.871 12.130 24.934 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.553 12.235 23.294 1.00 0.00 H new ATOM 429 N GLU A 30 -8.484 12.034 22.913 1.00 0.00 N ATOM 430 CA GLU A 30 -7.177 11.826 22.294 1.00 0.00 C ATOM 431 C GLU A 30 -6.418 13.147 22.141 1.00 0.00 C ATOM 432 O GLU A 30 -5.292 13.259 22.620 1.00 0.00 O ATOM 433 CB GLU A 30 -7.258 11.061 20.959 1.00 0.00 C ATOM 434 CG GLU A 30 -8.124 9.791 20.993 1.00 0.00 C ATOM 435 CD GLU A 30 -7.665 8.773 22.035 1.00 0.00 C ATOM 436 OE1 GLU A 30 -6.433 8.630 22.194 1.00 0.00 O ATOM 437 OE2 GLU A 30 -8.558 8.149 22.647 1.00 0.00 O ATOM 0 H GLU A 30 -8.505 11.727 23.885 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.611 11.189 22.974 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.652 11.732 20.196 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.249 10.787 20.652 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.157 10.070 21.199 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.110 9.324 20.008 1.00 0.00 H new ATOM 444 N GLU A 31 -7.015 14.131 21.460 1.00 0.00 N ATOM 445 CA GLU A 31 -6.391 15.416 21.143 1.00 0.00 C ATOM 446 C GLU A 31 -5.095 15.187 20.358 1.00 0.00 C ATOM 447 O GLU A 31 -4.146 15.964 20.465 1.00 0.00 O ATOM 448 CB GLU A 31 -6.160 16.262 22.414 1.00 0.00 C ATOM 449 CG GLU A 31 -7.441 16.873 22.998 1.00 0.00 C ATOM 450 CD GLU A 31 -8.512 15.839 23.313 1.00 0.00 C ATOM 451 OE1 GLU A 31 -8.296 15.043 24.252 1.00 0.00 O ATOM 452 OE2 GLU A 31 -9.528 15.857 22.587 1.00 0.00 O ATOM 0 H GLU A 31 -7.968 14.052 21.106 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.071 15.989 20.513 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.689 15.638 23.173 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.460 17.065 22.182 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.193 17.418 23.909 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.844 17.599 22.292 1.00 0.00 H new ATOM 459 N GLU A 32 -5.051 14.139 19.531 1.00 0.00 N ATOM 460 CA GLU A 32 -3.818 13.715 18.873 1.00 0.00 C ATOM 461 C GLU A 32 -3.552 14.543 17.609 1.00 0.00 C ATOM 462 O GLU A 32 -3.204 14.006 16.558 1.00 0.00 O ATOM 463 CB GLU A 32 -3.835 12.196 18.629 1.00 0.00 C ATOM 464 CG GLU A 32 -5.012 11.726 17.765 1.00 0.00 C ATOM 465 CD GLU A 32 -4.917 10.240 17.439 1.00 0.00 C ATOM 466 OE1 GLU A 32 -4.070 9.903 16.582 1.00 0.00 O ATOM 467 OE2 GLU A 32 -5.692 9.474 18.051 1.00 0.00 O ATOM 0 H GLU A 32 -5.863 13.566 19.302 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.972 13.910 19.533 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.902 11.903 18.147 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.873 11.683 19.590 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.948 11.924 18.287 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.035 12.301 16.839 1.00 0.00 H new ATOM 474 N ASP A 33 -3.694 15.867 17.696 1.00 0.00 N ATOM 475 CA ASP A 33 -3.613 16.759 16.546 1.00 0.00 C ATOM 476 C ASP A 33 -2.155 17.076 16.196 1.00 0.00 C ATOM 477 O ASP A 33 -1.788 18.235 16.024 1.00 0.00 O ATOM 478 CB ASP A 33 -4.442 18.022 16.823 1.00 0.00 C ATOM 479 CG ASP A 33 -4.554 18.935 15.602 1.00 0.00 C ATOM 480 OD1 ASP A 33 -4.604 18.389 14.479 1.00 0.00 O ATOM 481 OD2 ASP A 33 -4.619 20.165 15.818 1.00 0.00 O ATOM 0 H ASP A 33 -3.870 16.351 18.576 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.034 16.266 15.670 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.441 17.732 17.147 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.989 18.576 17.645 1.00 0.00 H new ATOM 486 N ASP A 34 -1.319 16.039 16.085 1.00 0.00 N ATOM 487 CA ASP A 34 0.066 16.176 15.649 1.00 0.00 C ATOM 488 C ASP A 34 0.140 16.146 14.122 1.00 0.00 C ATOM 489 O ASP A 34 0.940 16.859 13.525 1.00 0.00 O ATOM 490 CB ASP A 34 0.948 15.091 16.286 1.00 0.00 C ATOM 491 CG ASP A 34 0.622 13.688 15.787 1.00 0.00 C ATOM 492 OD1 ASP A 34 1.224 13.292 14.765 1.00 0.00 O ATOM 493 OD2 ASP A 34 -0.249 13.048 16.415 1.00 0.00 O ATOM 0 H ASP A 34 -1.589 15.079 16.297 1.00 0.00 H new ATOM 0 HA ASP A 34 0.451 17.139 15.984 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.994 15.311 16.075 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.828 15.122 17.369 1.00 0.00 H new ATOM 498 N GLU A 35 -0.689 15.298 13.500 1.00 0.00 N ATOM 499 CA GLU A 35 -0.759 15.097 12.057 1.00 0.00 C ATOM 500 C GLU A 35 0.613 14.855 11.409 1.00 0.00 C ATOM 501 O GLU A 35 0.808 15.217 10.250 1.00 0.00 O ATOM 502 CB GLU A 35 -1.501 16.268 11.391 1.00 0.00 C ATOM 503 CG GLU A 35 -2.895 16.496 11.997 1.00 0.00 C ATOM 504 CD GLU A 35 -3.727 17.506 11.207 1.00 0.00 C ATOM 505 OE1 GLU A 35 -3.135 18.249 10.393 1.00 0.00 O ATOM 506 OE2 GLU A 35 -4.962 17.494 11.394 1.00 0.00 O ATOM 0 H GLU A 35 -1.351 14.714 14.011 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.325 14.181 11.891 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.909 17.177 11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.599 16.073 10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.428 15.546 12.038 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.787 16.845 13.024 1.00 0.00 H new ATOM 513 N GLU A 36 1.557 14.240 12.136 1.00 0.00 N ATOM 514 CA GLU A 36 2.856 13.871 11.625 1.00 0.00 C ATOM 515 C GLU A 36 3.531 12.874 12.589 1.00 0.00 C ATOM 516 O GLU A 36 4.471 13.243 13.288 1.00 0.00 O ATOM 517 CB GLU A 36 3.674 15.161 11.433 1.00 0.00 C ATOM 518 CG GLU A 36 5.033 14.901 10.790 1.00 0.00 C ATOM 519 CD GLU A 36 4.914 14.276 9.405 1.00 0.00 C ATOM 520 OE1 GLU A 36 4.836 15.054 8.429 1.00 0.00 O ATOM 521 OE2 GLU A 36 4.888 13.027 9.353 1.00 0.00 O ATOM 0 H GLU A 36 1.422 13.986 13.115 1.00 0.00 H new ATOM 0 HA GLU A 36 2.778 13.367 10.662 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.109 15.857 10.812 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.819 15.642 12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.581 15.840 10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.616 14.242 11.434 1.00 0.00 H new ATOM 528 N PRO A 37 3.077 11.610 12.661 1.00 0.00 N ATOM 529 CA PRO A 37 3.797 10.573 13.381 1.00 0.00 C ATOM 530 C PRO A 37 4.980 10.082 12.536 1.00 0.00 C ATOM 531 O PRO A 37 6.126 10.382 12.856 1.00 0.00 O ATOM 532 CB PRO A 37 2.762 9.487 13.681 1.00 0.00 C ATOM 533 CG PRO A 37 1.695 9.657 12.597 1.00 0.00 C ATOM 534 CD PRO A 37 1.788 11.129 12.192 1.00 0.00 C ATOM 0 HA PRO A 37 4.238 10.921 14.315 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.209 8.493 13.645 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.337 9.609 14.677 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.884 9.000 11.748 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.703 9.412 12.976 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.704 11.239 11.111 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.975 11.705 12.635 1.00 0.00 H new ATOM 542 N ASN A 38 4.707 9.320 11.467 1.00 0.00 N ATOM 543 CA ASN A 38 5.659 8.801 10.480 1.00 0.00 C ATOM 544 C ASN A 38 6.648 7.766 11.033 1.00 0.00 C ATOM 545 O ASN A 38 6.749 6.661 10.506 1.00 0.00 O ATOM 546 CB ASN A 38 6.394 9.938 9.761 1.00 0.00 C ATOM 547 CG ASN A 38 7.283 9.383 8.653 1.00 0.00 C ATOM 548 OD1 ASN A 38 8.404 8.955 8.908 1.00 0.00 O ATOM 549 ND2 ASN A 38 6.796 9.364 7.417 1.00 0.00 N ATOM 0 H ASN A 38 3.751 9.032 11.257 1.00 0.00 H new ATOM 0 HA ASN A 38 5.050 8.260 9.756 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.671 10.637 9.340 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.999 10.497 10.475 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.358 8.987 6.653 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.861 9.726 7.232 1.00 0.00 H new ATOM 556 N VAL A 39 7.412 8.126 12.065 1.00 0.00 N ATOM 557 CA VAL A 39 8.418 7.262 12.661 1.00 0.00 C ATOM 558 C VAL A 39 7.754 6.117 13.446 1.00 0.00 C ATOM 559 O VAL A 39 7.906 4.968 13.040 1.00 0.00 O ATOM 560 CB VAL A 39 9.454 8.092 13.444 1.00 0.00 C ATOM 561 CG1 VAL A 39 10.472 7.189 14.153 1.00 0.00 C ATOM 562 CG2 VAL A 39 10.206 9.027 12.485 1.00 0.00 C ATOM 0 H VAL A 39 7.344 9.040 12.513 1.00 0.00 H new ATOM 0 HA VAL A 39 8.996 6.764 11.882 1.00 0.00 H new ATOM 0 HB VAL A 39 8.916 8.672 14.194 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.189 7.805 14.696 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.952 6.534 14.853 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.999 6.585 13.414 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.937 9.611 13.045 1.00 0.00 H new ATOM 0 HG22 VAL A 39 10.718 8.435 11.727 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.497 9.700 12.002 1.00 0.00 H new ATOM 572 N PRO A 40 7.019 6.370 14.548 1.00 0.00 N ATOM 573 CA PRO A 40 6.364 5.306 15.298 1.00 0.00 C ATOM 574 C PRO A 40 5.275 4.636 14.461 1.00 0.00 C ATOM 575 O PRO A 40 5.200 3.410 14.405 1.00 0.00 O ATOM 576 CB PRO A 40 5.798 5.965 16.560 1.00 0.00 C ATOM 577 CG PRO A 40 5.602 7.420 16.142 1.00 0.00 C ATOM 578 CD PRO A 40 6.773 7.652 15.188 1.00 0.00 C ATOM 0 HA PRO A 40 7.061 4.510 15.561 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.859 5.505 16.867 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.485 5.878 17.402 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.642 7.575 15.650 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.635 8.096 16.997 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.532 8.418 14.451 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.655 7.996 15.728 1.00 0.00 H new ATOM 586 N CYS A 41 4.434 5.425 13.782 1.00 0.00 N ATOM 587 CA CYS A 41 3.450 4.898 12.842 1.00 0.00 C ATOM 588 C CYS A 41 4.180 4.569 11.535 1.00 0.00 C ATOM 589 O CYS A 41 4.024 5.239 10.514 1.00 0.00 O ATOM 590 CB CYS A 41 2.320 5.901 12.642 1.00 0.00 C ATOM 591 SG CYS A 41 0.905 5.159 11.813 1.00 0.00 S ATOM 0 H CYS A 41 4.420 6.441 13.871 1.00 0.00 H new ATOM 0 HA CYS A 41 2.988 3.989 13.226 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.009 6.295 13.609 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.683 6.745 12.056 1.00 0.00 H new ATOM 596 N LEU A 42 5.019 3.539 11.620 1.00 0.00 N ATOM 597 CA LEU A 42 6.012 3.137 10.637 1.00 0.00 C ATOM 598 C LEU A 42 5.533 2.748 9.230 1.00 0.00 C ATOM 599 O LEU A 42 5.759 1.621 8.793 1.00 0.00 O ATOM 600 CB LEU A 42 6.982 2.109 11.259 1.00 0.00 C ATOM 601 CG LEU A 42 6.356 0.969 12.090 1.00 0.00 C ATOM 602 CD1 LEU A 42 5.342 0.122 11.315 1.00 0.00 C ATOM 603 CD2 LEU A 42 7.476 0.068 12.618 1.00 0.00 C ATOM 0 H LEU A 42 5.020 2.924 12.434 1.00 0.00 H new ATOM 0 HA LEU A 42 6.540 4.061 10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.563 1.661 10.453 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.683 2.647 11.897 1.00 0.00 H new ATOM 0 HG LEU A 42 5.803 1.438 12.904 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.946 -0.658 11.966 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.525 0.757 10.971 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.832 -0.336 10.456 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.045 -0.741 13.207 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.032 -0.350 11.779 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.149 0.653 13.244 1.00 0.00 H new ATOM 615 N VAL A 43 4.963 3.681 8.457 1.00 0.00 N ATOM 616 CA VAL A 43 4.727 3.445 7.027 1.00 0.00 C ATOM 617 C VAL A 43 6.091 3.664 6.363 1.00 0.00 C ATOM 618 O VAL A 43 6.315 4.637 5.647 1.00 0.00 O ATOM 619 CB VAL A 43 3.614 4.337 6.436 1.00 0.00 C ATOM 620 CG1 VAL A 43 3.280 3.949 4.987 1.00 0.00 C ATOM 621 CG2 VAL A 43 2.337 4.186 7.268 1.00 0.00 C ATOM 0 H VAL A 43 4.660 4.595 8.792 1.00 0.00 H new ATOM 0 HA VAL A 43 4.350 2.438 6.847 1.00 0.00 H new ATOM 0 HB VAL A 43 3.979 5.364 6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.492 4.600 4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.170 4.057 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.940 2.914 4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.553 4.817 6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.013 3.145 7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.535 4.488 8.296 1.00 0.00 H new ATOM 631 N ARG A 44 7.025 2.750 6.647 1.00 0.00 N ATOM 632 CA ARG A 44 8.434 2.885 6.308 1.00 0.00 C ATOM 633 C ARG A 44 8.666 2.872 4.796 1.00 0.00 C ATOM 634 O ARG A 44 9.723 3.287 4.325 1.00 0.00 O ATOM 635 CB ARG A 44 9.238 1.803 7.046 1.00 0.00 C ATOM 636 CG ARG A 44 10.694 2.194 7.350 1.00 0.00 C ATOM 637 CD ARG A 44 10.834 3.174 8.528 1.00 0.00 C ATOM 638 NE ARG A 44 10.626 4.573 8.119 1.00 0.00 N ATOM 639 CZ ARG A 44 9.742 5.455 8.616 1.00 0.00 C ATOM 640 NH1 ARG A 44 8.880 5.125 9.585 1.00 0.00 N ATOM 641 NH2 ARG A 44 9.732 6.695 8.117 1.00 0.00 N ATOM 0 H ARG A 44 6.811 1.878 7.130 1.00 0.00 H new ATOM 0 HA ARG A 44 8.789 3.860 6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.734 1.568 7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.236 0.893 6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.266 1.292 7.568 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.135 2.643 6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.113 2.913 9.302 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.826 3.070 8.968 1.00 0.00 H new ATOM 0 HE ARG A 44 11.225 4.914 7.367 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.881 4.180 9.969 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.222 5.819 9.940 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.385 6.952 7.377 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.071 7.384 8.476 1.00 0.00 H new ATOM 655 N VAL A 45 7.660 2.447 4.025 1.00 0.00 N ATOM 656 CA VAL A 45 7.604 2.554 2.574 1.00 0.00 C ATOM 657 C VAL A 45 7.436 4.019 2.133 1.00 0.00 C ATOM 658 O VAL A 45 6.582 4.338 1.307 1.00 0.00 O ATOM 659 CB VAL A 45 6.477 1.641 2.046 1.00 0.00 C ATOM 660 CG1 VAL A 45 6.812 0.169 2.314 1.00 0.00 C ATOM 661 CG2 VAL A 45 5.094 1.958 2.644 1.00 0.00 C ATOM 0 H VAL A 45 6.831 2.001 4.417 1.00 0.00 H new ATOM 0 HA VAL A 45 8.546 2.217 2.141 1.00 0.00 H new ATOM 0 HB VAL A 45 6.417 1.833 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.008 -0.462 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.743 -0.090 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.923 0.011 3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.352 1.277 2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.129 1.837 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.820 2.985 2.402 1.00 0.00 H new ATOM 671 N CYS A 46 8.272 4.924 2.650 1.00 0.00 N ATOM 672 CA CYS A 46 8.250 6.354 2.362 1.00 0.00 C ATOM 673 C CYS A 46 8.928 6.586 1.014 1.00 0.00 C ATOM 674 O CYS A 46 9.933 7.284 0.913 1.00 0.00 O ATOM 675 CB CYS A 46 8.980 7.085 3.491 1.00 0.00 C ATOM 676 SG CYS A 46 8.981 8.899 3.497 1.00 0.00 S ATOM 0 H CYS A 46 9.010 4.667 3.306 1.00 0.00 H new ATOM 0 HA CYS A 46 7.231 6.736 2.305 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.548 6.752 4.434 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.018 6.754 3.482 1.00 0.00 H new ATOM 681 N HIS A 47 8.388 5.953 -0.028 1.00 0.00 N ATOM 682 CA HIS A 47 8.963 5.947 -1.356 1.00 0.00 C ATOM 683 C HIS A 47 8.085 6.755 -2.304 1.00 0.00 C ATOM 684 O HIS A 47 6.862 6.672 -2.236 1.00 0.00 O ATOM 685 CB HIS A 47 9.157 4.499 -1.835 1.00 0.00 C ATOM 686 CG HIS A 47 7.925 3.622 -1.830 1.00 0.00 C ATOM 687 ND1 HIS A 47 6.655 3.986 -2.216 1.00 0.00 N ATOM 688 CD2 HIS A 47 7.895 2.281 -1.552 1.00 0.00 C ATOM 689 CE1 HIS A 47 5.880 2.892 -2.165 1.00 0.00 C ATOM 690 NE2 HIS A 47 6.591 1.825 -1.767 1.00 0.00 N ATOM 0 H HIS A 47 7.520 5.421 0.038 1.00 0.00 H new ATOM 0 HA HIS A 47 9.945 6.419 -1.338 1.00 0.00 H new ATOM 0 HB2 HIS A 47 9.555 4.524 -2.849 1.00 0.00 H new ATOM 0 HB3 HIS A 47 9.914 4.029 -1.207 1.00 0.00 H new ATOM 0 HD1 HIS A 47 6.356 4.921 -2.492 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.731 1.682 -1.224 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.828 2.872 -2.410 1.00 0.00 H new ATOM 698 N GLN A 48 8.728 7.544 -3.159 1.00 0.00 N ATOM 699 CA GLN A 48 8.163 8.253 -4.307 1.00 0.00 C ATOM 700 C GLN A 48 6.863 7.627 -4.843 1.00 0.00 C ATOM 701 O GLN A 48 6.916 6.649 -5.589 1.00 0.00 O ATOM 702 CB GLN A 48 9.249 8.326 -5.394 1.00 0.00 C ATOM 703 CG GLN A 48 9.871 6.959 -5.748 1.00 0.00 C ATOM 704 CD GLN A 48 9.808 6.677 -7.245 1.00 0.00 C ATOM 705 OE1 GLN A 48 10.812 6.749 -7.944 1.00 0.00 O ATOM 706 NE2 GLN A 48 8.621 6.361 -7.751 1.00 0.00 N ATOM 0 H GLN A 48 9.728 7.718 -3.063 1.00 0.00 H new ATOM 0 HA GLN A 48 7.870 9.253 -3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.819 8.763 -6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.039 8.998 -5.060 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.909 6.936 -5.418 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.347 6.171 -5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.804 6.309 -7.142 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.526 6.170 -8.748 1.00 0.00 H new ATOM 715 N ASP A 49 5.701 8.181 -4.479 1.00 0.00 N ATOM 716 CA ASP A 49 4.394 7.632 -4.837 1.00 0.00 C ATOM 717 C ASP A 49 3.337 8.682 -4.469 1.00 0.00 C ATOM 718 O ASP A 49 3.689 9.748 -3.970 1.00 0.00 O ATOM 719 CB ASP A 49 4.201 6.276 -4.129 1.00 0.00 C ATOM 720 CG ASP A 49 2.906 5.546 -4.472 1.00 0.00 C ATOM 721 OD1 ASP A 49 2.323 5.853 -5.535 1.00 0.00 O ATOM 722 OD2 ASP A 49 2.533 4.669 -3.665 1.00 0.00 O ATOM 0 H ASP A 49 5.644 9.033 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 49 4.304 7.428 -5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.042 5.630 -4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.234 6.438 -3.052 1.00 0.00 H new ATOM 727 N CYS A 50 2.059 8.455 -4.783 1.00 0.00 N ATOM 728 CA CYS A 50 1.040 9.484 -4.633 1.00 0.00 C ATOM 729 C CYS A 50 0.311 9.395 -3.298 1.00 0.00 C ATOM 730 O CYS A 50 -0.273 8.363 -2.977 1.00 0.00 O ATOM 731 CB CYS A 50 0.091 9.475 -5.822 1.00 0.00 C ATOM 732 SG CYS A 50 0.957 9.684 -7.388 1.00 0.00 S ATOM 0 H CYS A 50 1.710 7.566 -5.142 1.00 0.00 H new ATOM 0 HA CYS A 50 1.544 10.450 -4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.461 8.535 -5.837 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.642 10.273 -5.705 1.00 0.00 H new ATOM 737 N VAL A 51 0.340 10.494 -2.541 1.00 0.00 N ATOM 738 CA VAL A 51 -0.220 10.626 -1.204 1.00 0.00 C ATOM 739 C VAL A 51 -1.463 11.504 -1.258 1.00 0.00 C ATOM 740 O VAL A 51 -1.651 12.251 -2.214 1.00 0.00 O ATOM 741 CB VAL A 51 0.827 11.228 -0.248 1.00 0.00 C ATOM 742 CG1 VAL A 51 2.137 10.430 -0.284 1.00 0.00 C ATOM 743 CG2 VAL A 51 1.125 12.702 -0.551 1.00 0.00 C ATOM 0 H VAL A 51 0.778 11.356 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.499 9.641 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 51 0.391 11.169 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.856 10.880 0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.944 9.400 0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.543 10.443 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.869 13.075 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.508 12.794 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.210 13.286 -0.454 1.00 0.00 H new ATOM 753 N CYS A 52 -2.306 11.447 -0.227 1.00 0.00 N ATOM 754 CA CYS A 52 -3.503 12.277 -0.140 1.00 0.00 C ATOM 755 C CYS A 52 -3.161 13.762 -0.317 1.00 0.00 C ATOM 756 O CYS A 52 -2.167 14.225 0.241 1.00 0.00 O ATOM 757 CB CYS A 52 -4.158 12.088 1.235 1.00 0.00 C ATOM 758 SG CYS A 52 -4.648 10.414 1.707 1.00 0.00 S ATOM 0 H CYS A 52 -2.177 10.824 0.570 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.183 11.972 -0.935 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.466 12.461 1.990 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.045 12.721 1.274 1.00 0.00 H new ATOM 763 N GLU A 53 -3.977 14.520 -1.062 1.00 0.00 N ATOM 764 CA GLU A 53 -3.852 15.977 -1.099 1.00 0.00 C ATOM 765 C GLU A 53 -3.900 16.515 0.342 1.00 0.00 C ATOM 766 O GLU A 53 -4.620 15.968 1.173 1.00 0.00 O ATOM 767 CB GLU A 53 -4.962 16.596 -1.973 1.00 0.00 C ATOM 768 CG GLU A 53 -4.554 17.898 -2.677 1.00 0.00 C ATOM 769 CD GLU A 53 -4.208 19.010 -1.695 1.00 0.00 C ATOM 770 OE1 GLU A 53 -5.131 19.442 -0.970 1.00 0.00 O ATOM 771 OE2 GLU A 53 -3.006 19.346 -1.625 1.00 0.00 O ATOM 0 H GLU A 53 -4.727 14.147 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.899 16.256 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.265 15.868 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.834 16.791 -1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.695 17.706 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.368 18.228 -3.323 1.00 0.00 H new ATOM 778 N GLU A 54 -3.160 17.589 0.634 1.00 0.00 N ATOM 779 CA GLU A 54 -3.059 18.199 1.956 1.00 0.00 C ATOM 780 C GLU A 54 -4.420 18.492 2.603 1.00 0.00 C ATOM 781 O GLU A 54 -4.552 18.392 3.819 1.00 0.00 O ATOM 782 CB GLU A 54 -2.200 19.470 1.879 1.00 0.00 C ATOM 783 CG GLU A 54 -0.808 19.229 1.269 1.00 0.00 C ATOM 784 CD GLU A 54 -0.056 18.090 1.953 1.00 0.00 C ATOM 785 OE1 GLU A 54 0.261 18.259 3.149 1.00 0.00 O ATOM 786 OE2 GLU A 54 0.178 17.068 1.272 1.00 0.00 O ATOM 0 H GLU A 54 -2.598 18.070 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.577 17.469 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.724 20.219 1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.083 19.882 2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.915 19.003 0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.220 20.144 1.343 1.00 0.00 H new ATOM 793 N GLY A 55 -5.438 18.840 1.809 1.00 0.00 N ATOM 794 CA GLY A 55 -6.790 19.065 2.312 1.00 0.00 C ATOM 795 C GLY A 55 -7.471 17.800 2.857 1.00 0.00 C ATOM 796 O GLY A 55 -8.574 17.884 3.403 1.00 0.00 O ATOM 0 H GLY A 55 -5.345 18.972 0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.753 19.815 3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.401 19.478 1.510 1.00 0.00 H new ATOM 800 N PHE A 56 -6.844 16.631 2.696 1.00 0.00 N ATOM 801 CA PHE A 56 -7.375 15.333 3.062 1.00 0.00 C ATOM 802 C PHE A 56 -6.400 14.600 3.982 1.00 0.00 C ATOM 803 O PHE A 56 -5.205 14.885 3.997 1.00 0.00 O ATOM 804 CB PHE A 56 -7.624 14.523 1.788 1.00 0.00 C ATOM 805 CG PHE A 56 -8.510 15.198 0.757 1.00 0.00 C ATOM 806 CD1 PHE A 56 -9.777 15.693 1.115 1.00 0.00 C ATOM 807 CD2 PHE A 56 -8.051 15.359 -0.562 1.00 0.00 C ATOM 808 CE1 PHE A 56 -10.573 16.355 0.165 1.00 0.00 C ATOM 809 CE2 PHE A 56 -8.850 16.011 -1.517 1.00 0.00 C ATOM 810 CZ PHE A 56 -10.112 16.511 -1.153 1.00 0.00 C ATOM 0 H PHE A 56 -5.911 16.571 2.288 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.314 15.460 3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.663 14.298 1.326 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.076 13.570 2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -10.139 15.564 2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.080 14.980 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -11.540 16.744 0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.494 16.128 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 56 -10.726 17.014 -1.885 1.00 0.00 H new ATOM 820 N TYR A 57 -6.928 13.639 4.738 1.00 0.00 N ATOM 821 CA TYR A 57 -6.209 12.784 5.663 1.00 0.00 C ATOM 822 C TYR A 57 -6.545 11.344 5.302 1.00 0.00 C ATOM 823 O TYR A 57 -7.651 11.068 4.829 1.00 0.00 O ATOM 824 CB TYR A 57 -6.632 13.123 7.099 1.00 0.00 C ATOM 825 CG TYR A 57 -6.234 14.524 7.526 1.00 0.00 C ATOM 826 CD1 TYR A 57 -7.033 15.629 7.175 1.00 0.00 C ATOM 827 CD2 TYR A 57 -4.985 14.737 8.132 1.00 0.00 C ATOM 828 CE1 TYR A 57 -6.576 16.936 7.417 1.00 0.00 C ATOM 829 CE2 TYR A 57 -4.515 16.042 8.347 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.316 17.143 8.003 1.00 0.00 C ATOM 831 OH TYR A 57 -4.900 18.411 8.278 1.00 0.00 O ATOM 0 H TYR A 57 -7.926 13.429 4.715 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.131 12.931 5.597 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.713 13.017 7.187 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.185 12.401 7.782 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.999 15.472 6.719 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.383 13.893 8.434 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.194 17.781 7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.537 16.199 8.777 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.134 18.379 8.888 1.00 0.00 H new ATOM 841 N ARG A 58 -5.596 10.426 5.500 1.00 0.00 N ATOM 842 CA ARG A 58 -5.850 9.018 5.256 1.00 0.00 C ATOM 843 C ARG A 58 -6.776 8.523 6.367 1.00 0.00 C ATOM 844 O ARG A 58 -6.332 8.128 7.442 1.00 0.00 O ATOM 845 CB ARG A 58 -4.538 8.225 5.072 1.00 0.00 C ATOM 846 CG ARG A 58 -3.657 8.071 6.322 1.00 0.00 C ATOM 847 CD ARG A 58 -3.733 6.646 6.893 1.00 0.00 C ATOM 848 NE ARG A 58 -3.107 6.542 8.220 1.00 0.00 N ATOM 849 CZ ARG A 58 -3.760 6.526 9.393 1.00 0.00 C ATOM 850 NH1 ARG A 58 -5.062 6.819 9.464 1.00 0.00 N ATOM 851 NH2 ARG A 58 -3.091 6.209 10.506 1.00 0.00 N ATOM 0 H ARG A 58 -4.653 10.638 5.827 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.362 8.856 4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.788 7.230 4.704 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.949 8.713 4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.623 8.309 6.071 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.973 8.786 7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.777 6.340 6.961 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.242 5.956 6.207 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.090 6.476 8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.577 7.060 8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.540 6.801 10.365 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.097 5.983 10.457 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.574 6.193 11.404 1.00 0.00 H new ATOM 865 N ASN A 59 -8.088 8.581 6.130 1.00 0.00 N ATOM 866 CA ASN A 59 -9.074 8.105 7.096 1.00 0.00 C ATOM 867 C ASN A 59 -8.755 6.673 7.526 1.00 0.00 C ATOM 868 O ASN A 59 -8.852 6.334 8.703 1.00 0.00 O ATOM 869 CB ASN A 59 -10.485 8.226 6.524 1.00 0.00 C ATOM 870 CG ASN A 59 -11.536 7.681 7.481 1.00 0.00 C ATOM 871 OD1 ASN A 59 -11.510 7.962 8.672 1.00 0.00 O ATOM 872 ND2 ASN A 59 -12.469 6.887 6.966 1.00 0.00 N ATOM 0 H ASN A 59 -8.492 8.956 5.271 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.027 8.732 7.986 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.700 9.272 6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.541 7.686 5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.192 6.492 7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.462 6.672 5.969 1.00 0.00 H new ATOM 879 N LYS A 60 -8.344 5.845 6.560 1.00 0.00 N ATOM 880 CA LYS A 60 -7.797 4.519 6.805 1.00 0.00 C ATOM 881 C LYS A 60 -7.098 4.005 5.542 1.00 0.00 C ATOM 882 O LYS A 60 -5.980 4.425 5.248 1.00 0.00 O ATOM 883 CB LYS A 60 -8.843 3.568 7.428 1.00 0.00 C ATOM 884 CG LYS A 60 -10.295 3.751 6.944 1.00 0.00 C ATOM 885 CD LYS A 60 -11.305 2.985 7.814 1.00 0.00 C ATOM 886 CE LYS A 60 -11.288 3.373 9.304 1.00 0.00 C ATOM 887 NZ LYS A 60 -11.298 4.833 9.519 1.00 0.00 N ATOM 0 H LYS A 60 -8.386 6.088 5.570 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.022 4.571 7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.539 2.541 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.823 3.696 8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.546 4.812 6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.377 3.410 5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.307 3.154 7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.104 1.917 7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.154 2.932 9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.401 2.948 9.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.303 5.034 10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.450 5.253 9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.148 5.242 9.082 1.00 0.00 H new ATOM 901 N ASP A 61 -7.744 3.125 4.773 1.00 0.00 N ATOM 902 CA ASP A 61 -7.131 2.454 3.628 1.00 0.00 C ATOM 903 C ASP A 61 -7.017 3.415 2.441 1.00 0.00 C ATOM 904 O ASP A 61 -7.782 3.318 1.485 1.00 0.00 O ATOM 905 CB ASP A 61 -7.944 1.200 3.274 1.00 0.00 C ATOM 906 CG ASP A 61 -7.371 0.476 2.058 1.00 0.00 C ATOM 907 OD1 ASP A 61 -6.126 0.370 1.991 1.00 0.00 O ATOM 908 OD2 ASP A 61 -8.190 0.040 1.220 1.00 0.00 O ATOM 0 H ASP A 61 -8.716 2.857 4.930 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.119 2.141 3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.957 0.522 4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.978 1.482 3.075 1.00 0.00 H new ATOM 913 N ASP A 62 -6.072 4.357 2.524 1.00 0.00 N ATOM 914 CA ASP A 62 -5.921 5.503 1.626 1.00 0.00 C ATOM 915 C ASP A 62 -7.269 6.166 1.319 1.00 0.00 C ATOM 916 O ASP A 62 -7.490 6.727 0.248 1.00 0.00 O ATOM 917 CB ASP A 62 -5.177 5.088 0.345 1.00 0.00 C ATOM 918 CG ASP A 62 -4.640 6.297 -0.418 1.00 0.00 C ATOM 919 OD1 ASP A 62 -3.857 7.053 0.199 1.00 0.00 O ATOM 920 OD2 ASP A 62 -4.996 6.433 -1.608 1.00 0.00 O ATOM 0 H ASP A 62 -5.359 4.339 3.253 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.317 6.255 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.351 4.425 0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.850 4.522 -0.299 1.00 0.00 H new ATOM 925 N LYS A 63 -8.168 6.146 2.305 1.00 0.00 N ATOM 926 CA LYS A 63 -9.447 6.822 2.233 1.00 0.00 C ATOM 927 C LYS A 63 -9.171 8.294 2.532 1.00 0.00 C ATOM 928 O LYS A 63 -9.362 8.772 3.647 1.00 0.00 O ATOM 929 CB LYS A 63 -10.441 6.152 3.194 1.00 0.00 C ATOM 930 CG LYS A 63 -10.735 4.687 2.831 1.00 0.00 C ATOM 931 CD LYS A 63 -11.551 4.521 1.540 1.00 0.00 C ATOM 932 CE LYS A 63 -11.632 3.044 1.136 1.00 0.00 C ATOM 933 NZ LYS A 63 -10.366 2.567 0.546 1.00 0.00 N ATOM 0 H LYS A 63 -8.018 5.651 3.184 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.917 6.753 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.043 6.196 4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.374 6.715 3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.791 4.152 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.275 4.220 3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.555 4.919 1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.092 5.098 0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.875 2.441 2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.441 2.907 0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.298 1.535 0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.342 2.807 -0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.565 3.022 1.029 1.00 0.00 H new ATOM 947 N CYS A 64 -8.625 8.975 1.529 1.00 0.00 N ATOM 948 CA CYS A 64 -8.179 10.353 1.606 1.00 0.00 C ATOM 949 C CYS A 64 -9.380 11.293 1.727 1.00 0.00 C ATOM 950 O CYS A 64 -9.913 11.727 0.707 1.00 0.00 O ATOM 951 CB CYS A 64 -7.370 10.683 0.348 1.00 0.00 C ATOM 952 SG CYS A 64 -5.819 9.788 0.114 1.00 0.00 S ATOM 0 H CYS A 64 -8.478 8.562 0.608 1.00 0.00 H new ATOM 0 HA CYS A 64 -7.553 10.486 2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.003 10.498 -0.520 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.147 11.750 0.358 1.00 0.00 H new ATOM 957 N VAL A 65 -9.794 11.642 2.950 1.00 0.00 N ATOM 958 CA VAL A 65 -10.895 12.576 3.192 1.00 0.00 C ATOM 959 C VAL A 65 -10.539 13.515 4.348 1.00 0.00 C ATOM 960 O VAL A 65 -9.645 13.218 5.134 1.00 0.00 O ATOM 961 CB VAL A 65 -12.224 11.833 3.427 1.00 0.00 C ATOM 962 CG1 VAL A 65 -12.705 11.120 2.157 1.00 0.00 C ATOM 963 CG2 VAL A 65 -12.134 10.815 4.569 1.00 0.00 C ATOM 0 H VAL A 65 -9.370 11.281 3.805 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.042 13.185 2.300 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.945 12.601 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.645 10.607 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.856 11.852 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.956 10.393 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.097 10.320 4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.372 10.072 4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.869 11.328 5.494 1.00 0.00 H new ATOM 973 N SER A 66 -11.182 14.682 4.421 1.00 0.00 N ATOM 974 CA SER A 66 -10.789 15.745 5.336 1.00 0.00 C ATOM 975 C SER A 66 -10.981 15.369 6.810 1.00 0.00 C ATOM 976 O SER A 66 -11.727 14.449 7.148 1.00 0.00 O ATOM 977 CB SER A 66 -11.543 17.024 4.963 1.00 0.00 C ATOM 978 OG SER A 66 -11.313 17.308 3.596 1.00 0.00 O ATOM 0 H SER A 66 -11.991 14.913 3.844 1.00 0.00 H new ATOM 0 HA SER A 66 -9.718 15.913 5.228 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.610 16.900 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.206 17.855 5.583 1.00 0.00 H new ATOM 0 HG SER A 66 -10.366 17.521 3.461 1.00 0.00 H new ATOM 984 N ALA A 67 -10.316 16.132 7.688 1.00 0.00 N ATOM 985 CA ALA A 67 -10.347 15.963 9.138 1.00 0.00 C ATOM 986 C ALA A 67 -11.781 15.805 9.644 1.00 0.00 C ATOM 987 O ALA A 67 -12.052 14.995 10.523 1.00 0.00 O ATOM 988 CB ALA A 67 -9.670 17.162 9.808 1.00 0.00 C ATOM 0 H ALA A 67 -9.723 16.908 7.394 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.804 15.053 9.395 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.694 17.035 10.890 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.635 17.229 9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -10.199 18.076 9.538 1.00 0.00 H new ATOM 994 N GLU A 68 -12.701 16.572 9.058 1.00 0.00 N ATOM 995 CA GLU A 68 -14.124 16.508 9.340 1.00 0.00 C ATOM 996 C GLU A 68 -14.650 15.080 9.152 1.00 0.00 C ATOM 997 O GLU A 68 -15.266 14.510 10.050 1.00 0.00 O ATOM 998 CB GLU A 68 -14.861 17.492 8.419 1.00 0.00 C ATOM 999 CG GLU A 68 -14.249 18.901 8.461 1.00 0.00 C ATOM 1000 CD GLU A 68 -15.098 19.886 7.667 1.00 0.00 C ATOM 1001 OE1 GLU A 68 -14.878 19.956 6.438 1.00 0.00 O ATOM 1002 OE2 GLU A 68 -15.955 20.540 8.300 1.00 0.00 O ATOM 0 H GLU A 68 -12.464 17.272 8.355 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.302 16.787 10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.835 17.117 7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.909 17.545 8.712 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.168 19.236 9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.238 18.875 8.054 1.00 0.00 H new ATOM 1009 N ASP A 69 -14.398 14.500 7.977 1.00 0.00 N ATOM 1010 CA ASP A 69 -14.861 13.165 7.621 1.00 0.00 C ATOM 1011 C ASP A 69 -14.230 12.146 8.565 1.00 0.00 C ATOM 1012 O ASP A 69 -14.913 11.286 9.114 1.00 0.00 O ATOM 1013 CB ASP A 69 -14.494 12.849 6.168 1.00 0.00 C ATOM 1014 CG ASP A 69 -15.033 13.891 5.195 1.00 0.00 C ATOM 1015 OD1 ASP A 69 -14.294 14.872 4.958 1.00 0.00 O ATOM 1016 OD2 ASP A 69 -16.167 13.689 4.712 1.00 0.00 O ATOM 0 H ASP A 69 -13.859 14.953 7.239 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.946 13.118 7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.410 12.794 6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.888 11.868 5.901 1.00 0.00 H new ATOM 1021 N CYS A 70 -12.918 12.272 8.764 1.00 0.00 N ATOM 1022 CA CYS A 70 -12.167 11.487 9.738 1.00 0.00 C ATOM 1023 C CYS A 70 -12.848 11.503 11.118 1.00 0.00 C ATOM 1024 O CYS A 70 -13.120 10.449 11.686 1.00 0.00 O ATOM 1025 CB CYS A 70 -10.731 12.016 9.786 1.00 0.00 C ATOM 1026 SG CYS A 70 -9.937 11.951 11.400 1.00 0.00 S ATOM 0 H CYS A 70 -12.340 12.933 8.244 1.00 0.00 H new ATOM 0 HA CYS A 70 -12.144 10.441 9.433 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -10.128 11.445 9.080 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.731 13.050 9.442 1.00 0.00 H new ATOM 1031 N GLU A 71 -13.160 12.687 11.648 1.00 0.00 N ATOM 1032 CA GLU A 71 -13.824 12.845 12.936 1.00 0.00 C ATOM 1033 C GLU A 71 -15.214 12.198 12.925 1.00 0.00 C ATOM 1034 O GLU A 71 -15.595 11.499 13.866 1.00 0.00 O ATOM 1035 CB GLU A 71 -13.902 14.340 13.278 1.00 0.00 C ATOM 1036 CG GLU A 71 -12.543 14.909 13.722 1.00 0.00 C ATOM 1037 CD GLU A 71 -12.172 14.581 15.169 1.00 0.00 C ATOM 1038 OE1 GLU A 71 -12.857 13.741 15.788 1.00 0.00 O ATOM 1039 OE2 GLU A 71 -11.195 15.196 15.648 1.00 0.00 O ATOM 0 H GLU A 71 -12.954 13.573 11.186 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.246 12.334 13.706 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.257 14.892 12.408 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.634 14.491 14.072 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.766 14.522 13.062 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.556 15.992 13.598 1.00 0.00 H new ATOM 1046 N LEU A 72 -15.984 12.425 11.858 1.00 0.00 N ATOM 1047 CA LEU A 72 -17.276 11.771 11.687 1.00 0.00 C ATOM 1048 C LEU A 72 -17.109 10.245 11.693 1.00 0.00 C ATOM 1049 O LEU A 72 -17.942 9.547 12.269 1.00 0.00 O ATOM 1050 CB LEU A 72 -17.986 12.279 10.424 1.00 0.00 C ATOM 1051 CG LEU A 72 -18.416 13.755 10.530 1.00 0.00 C ATOM 1052 CD1 LEU A 72 -18.749 14.298 9.136 1.00 0.00 C ATOM 1053 CD2 LEU A 72 -19.642 13.938 11.433 1.00 0.00 C ATOM 0 H LEU A 72 -15.731 13.059 11.100 1.00 0.00 H new ATOM 0 HA LEU A 72 -17.916 12.029 12.531 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -17.322 12.160 9.568 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -18.865 11.663 10.235 1.00 0.00 H new ATOM 0 HG LEU A 72 -17.582 14.302 10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -19.053 15.342 9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -17.869 14.223 8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.562 13.715 8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -19.907 14.994 11.477 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -20.480 13.370 11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -19.412 13.580 12.436 1.00 0.00 H new ATOM 1065 N ASP A 73 -16.021 9.715 11.120 1.00 0.00 N ATOM 1066 CA ASP A 73 -15.656 8.306 11.257 1.00 0.00 C ATOM 1067 C ASP A 73 -15.091 8.054 12.664 1.00 0.00 C ATOM 1068 O ASP A 73 -13.911 7.751 12.850 1.00 0.00 O ATOM 1069 CB ASP A 73 -14.691 7.876 10.142 1.00 0.00 C ATOM 1070 CG ASP A 73 -14.534 6.356 10.058 1.00 0.00 C ATOM 1071 OD1 ASP A 73 -14.982 5.658 10.993 1.00 0.00 O ATOM 1072 OD2 ASP A 73 -13.988 5.904 9.028 1.00 0.00 O ATOM 0 H ASP A 73 -15.371 10.254 10.549 1.00 0.00 H new ATOM 0 HA ASP A 73 -16.545 7.686 11.143 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.054 8.254 9.186 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.715 8.330 10.315 1.00 0.00 H new ATOM 1077 N ASN A 74 -15.977 8.187 13.650 1.00 0.00 N ATOM 1078 CA ASN A 74 -15.784 8.007 15.081 1.00 0.00 C ATOM 1079 C ASN A 74 -17.041 8.543 15.755 1.00 0.00 C ATOM 1080 O ASN A 74 -17.688 7.810 16.498 1.00 0.00 O ATOM 1081 CB ASN A 74 -14.533 8.721 15.607 1.00 0.00 C ATOM 1082 CG ASN A 74 -14.573 8.880 17.124 1.00 0.00 C ATOM 1083 OD1 ASN A 74 -15.130 9.847 17.632 1.00 0.00 O ATOM 1084 ND2 ASN A 74 -13.991 7.942 17.864 1.00 0.00 N ATOM 0 H ASN A 74 -16.941 8.449 13.442 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.625 6.952 15.303 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.645 8.157 15.323 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.450 9.702 15.140 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.001 8.016 18.881 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.535 7.148 17.415 1.00 0.00 H new ATOM 1091 N MET A 75 -17.384 9.808 15.476 1.00 0.00 N ATOM 1092 CA MET A 75 -18.623 10.474 15.877 1.00 0.00 C ATOM 1093 C MET A 75 -18.650 10.829 17.369 1.00 0.00 C ATOM 1094 O MET A 75 -18.996 11.951 17.734 1.00 0.00 O ATOM 1095 CB MET A 75 -19.853 9.643 15.468 1.00 0.00 C ATOM 1096 CG MET A 75 -21.152 10.459 15.518 1.00 0.00 C ATOM 1097 SD MET A 75 -21.327 11.797 14.306 1.00 0.00 S ATOM 1098 CE MET A 75 -21.392 10.848 12.770 1.00 0.00 C ATOM 0 H MET A 75 -16.772 10.422 14.938 1.00 0.00 H new ATOM 0 HA MET A 75 -18.661 11.422 15.340 1.00 0.00 H new ATOM 0 HB2 MET A 75 -19.708 9.257 14.459 1.00 0.00 H new ATOM 0 HB3 MET A 75 -19.942 8.781 16.129 1.00 0.00 H new ATOM 0 HG2 MET A 75 -21.989 9.773 15.389 1.00 0.00 H new ATOM 0 HG3 MET A 75 -21.244 10.890 16.515 1.00 0.00 H new ATOM 0 HE1 MET A 75 -21.692 11.502 11.951 1.00 0.00 H new ATOM 0 HE2 MET A 75 -20.408 10.430 12.559 1.00 0.00 H new ATOM 0 HE3 MET A 75 -22.115 10.039 12.873 1.00 0.00 H new ATOM 1108 N ASP A 76 -18.341 9.854 18.226 1.00 0.00 N ATOM 1109 CA ASP A 76 -18.423 9.947 19.673 1.00 0.00 C ATOM 1110 C ASP A 76 -17.589 11.097 20.233 1.00 0.00 C ATOM 1111 O ASP A 76 -18.048 11.786 21.138 1.00 0.00 O ATOM 1112 CB ASP A 76 -17.966 8.616 20.279 1.00 0.00 C ATOM 1113 CG ASP A 76 -18.088 8.629 21.799 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -19.244 8.584 22.275 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -17.028 8.677 22.459 1.00 0.00 O ATOM 0 H ASP A 76 -18.013 8.941 17.910 1.00 0.00 H new ATOM 0 HA ASP A 76 -19.459 10.154 19.942 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -18.566 7.803 19.871 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -16.931 8.421 19.997 1.00 0.00 H new ATOM 1120 N PHE A 77 -16.357 11.256 19.739 1.00 0.00 N ATOM 1121 CA PHE A 77 -15.416 12.263 20.212 1.00 0.00 C ATOM 1122 C PHE A 77 -15.794 13.625 19.617 1.00 0.00 C ATOM 1123 O PHE A 77 -16.935 14.053 19.752 1.00 0.00 O ATOM 1124 CB PHE A 77 -13.978 11.829 19.872 1.00 0.00 C ATOM 1125 CG PHE A 77 -13.521 10.452 20.327 1.00 0.00 C ATOM 1126 CD1 PHE A 77 -14.163 9.766 21.376 1.00 0.00 C ATOM 1127 CD2 PHE A 77 -12.361 9.901 19.750 1.00 0.00 C ATOM 1128 CE1 PHE A 77 -13.671 8.525 21.815 1.00 0.00 C ATOM 1129 CE2 PHE A 77 -11.848 8.677 20.211 1.00 0.00 C ATOM 1130 CZ PHE A 77 -12.508 7.984 21.240 1.00 0.00 C ATOM 0 H PHE A 77 -15.984 10.676 18.987 1.00 0.00 H new ATOM 0 HA PHE A 77 -15.464 12.362 21.296 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -13.862 11.879 18.789 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -13.297 12.565 20.300 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -15.036 10.195 21.845 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -11.862 10.423 18.947 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -14.187 7.986 22.596 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -10.948 8.269 19.775 1.00 0.00 H new ATOM 0 HZ PHE A 77 -12.122 7.037 21.588 1.00 0.00 H new ATOM 1140 N ILE A 78 -14.875 14.318 18.936 1.00 0.00 N ATOM 1141 CA ILE A 78 -15.108 15.600 18.278 1.00 0.00 C ATOM 1142 C ILE A 78 -15.262 16.720 19.314 1.00 0.00 C ATOM 1143 O ILE A 78 -14.421 17.613 19.399 1.00 0.00 O ATOM 1144 CB ILE A 78 -16.288 15.562 17.274 1.00 0.00 C ATOM 1145 CG1 ILE A 78 -16.340 14.249 16.466 1.00 0.00 C ATOM 1146 CG2 ILE A 78 -16.176 16.783 16.347 1.00 0.00 C ATOM 1147 CD1 ILE A 78 -17.330 14.288 15.297 1.00 0.00 C ATOM 0 H ILE A 78 -13.917 13.987 18.826 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.225 15.817 17.676 1.00 0.00 H new ATOM 0 HB ILE A 78 -17.223 15.600 17.833 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.344 14.029 16.081 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -16.611 13.431 17.134 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -16.999 16.774 15.632 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -16.221 17.696 16.941 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -15.228 16.746 15.810 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -17.313 13.332 14.774 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -18.334 14.477 15.677 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -17.048 15.084 14.607 1.00 0.00 H new ATOM 1159 N TYR A 79 -16.349 16.688 20.088 1.00 0.00 N ATOM 1160 CA TYR A 79 -16.731 17.733 21.026 1.00 0.00 C ATOM 1161 C TYR A 79 -15.686 17.780 22.150 1.00 0.00 C ATOM 1162 O TYR A 79 -15.543 16.771 22.839 1.00 0.00 O ATOM 1163 CB TYR A 79 -18.144 17.456 21.581 1.00 0.00 C ATOM 1164 CG TYR A 79 -19.077 16.728 20.623 1.00 0.00 C ATOM 1165 CD1 TYR A 79 -19.383 17.302 19.375 1.00 0.00 C ATOM 1166 CD2 TYR A 79 -19.384 15.374 20.858 1.00 0.00 C ATOM 1167 CE1 TYR A 79 -19.909 16.505 18.343 1.00 0.00 C ATOM 1168 CE2 TYR A 79 -19.899 14.577 19.822 1.00 0.00 C ATOM 1169 CZ TYR A 79 -20.089 15.126 18.545 1.00 0.00 C ATOM 1170 OH TYR A 79 -20.370 14.317 17.486 1.00 0.00 O ATOM 0 H TYR A 79 -17.005 15.907 20.075 1.00 0.00 H new ATOM 0 HA TYR A 79 -16.762 18.701 20.527 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -18.051 16.867 22.493 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -18.602 18.405 21.860 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -19.214 18.356 19.210 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -19.223 14.947 21.837 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -20.174 16.952 17.396 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -20.148 13.543 20.008 1.00 0.00 H new ATOM 0 HH TYR A 79 -19.940 13.446 17.617 1.00 0.00 H new ATOM 1180 N PRO A 80 -14.945 18.890 22.337 1.00 0.00 N ATOM 1181 CA PRO A 80 -13.897 19.028 23.346 1.00 0.00 C ATOM 1182 C PRO A 80 -14.239 18.357 24.679 1.00 0.00 C ATOM 1183 O PRO A 80 -15.277 18.654 25.266 1.00 0.00 O ATOM 1184 CB PRO A 80 -13.710 20.536 23.512 1.00 0.00 C ATOM 1185 CG PRO A 80 -13.944 21.041 22.089 1.00 0.00 C ATOM 1186 CD PRO A 80 -15.065 20.131 21.586 1.00 0.00 C ATOM 0 HA PRO A 80 -12.986 18.523 23.025 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.423 20.961 24.219 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -12.713 20.786 23.876 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -14.238 22.090 22.076 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.047 20.954 21.476 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -16.041 20.590 21.745 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.969 19.950 20.516 1.00 0.00 H new ATOM 1194 N GLY A 81 -13.414 17.414 25.146 1.00 0.00 N ATOM 1195 CA GLY A 81 -13.634 16.728 26.411 1.00 0.00 C ATOM 1196 C GLY A 81 -14.656 15.599 26.272 1.00 0.00 C ATOM 1197 O GLY A 81 -14.470 14.526 26.844 1.00 0.00 O ATOM 0 H GLY A 81 -12.575 17.109 24.652 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.690 16.322 26.774 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.981 17.443 27.157 1.00 0.00 H new ATOM 1201 N THR A 82 -15.745 15.844 25.537 1.00 0.00 N ATOM 1202 CA THR A 82 -16.767 14.872 25.163 1.00 0.00 C ATOM 1203 C THR A 82 -17.675 14.514 26.342 1.00 0.00 C ATOM 1204 O THR A 82 -18.893 14.662 26.247 1.00 0.00 O ATOM 1205 CB THR A 82 -16.134 13.648 24.478 1.00 0.00 C ATOM 1206 OG1 THR A 82 -15.307 14.076 23.410 1.00 0.00 O ATOM 1207 CG2 THR A 82 -17.206 12.715 23.915 1.00 0.00 C ATOM 0 H THR A 82 -15.944 16.775 25.170 1.00 0.00 H new ATOM 0 HA THR A 82 -17.425 15.333 24.426 1.00 0.00 H new ATOM 0 HB THR A 82 -15.550 13.110 25.225 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.530 15.001 23.174 1.00 0.00 H new ATOM 0 HG21 THR A 82 -16.729 11.859 23.437 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.848 12.367 24.725 1.00 0.00 H new ATOM 0 HG23 THR A 82 -17.807 13.252 23.181 1.00 0.00 H new ATOM 1215 N ARG A 83 -17.108 14.061 27.461 1.00 0.00 N ATOM 1216 CA ARG A 83 -17.848 13.649 28.645 1.00 0.00 C ATOM 1217 C ARG A 83 -18.368 14.870 29.415 1.00 0.00 C ATOM 1218 O ARG A 83 -17.962 15.109 30.548 1.00 0.00 O ATOM 1219 CB ARG A 83 -16.957 12.757 29.523 1.00 0.00 C ATOM 1220 CG ARG A 83 -16.513 11.490 28.777 1.00 0.00 C ATOM 1221 CD ARG A 83 -15.667 10.584 29.680 1.00 0.00 C ATOM 1222 NE ARG A 83 -16.405 10.144 30.873 1.00 0.00 N ATOM 1223 CZ ARG A 83 -17.339 9.181 30.901 1.00 0.00 C ATOM 1224 NH1 ARG A 83 -17.674 8.526 29.784 1.00 0.00 N ATOM 1225 NH2 ARG A 83 -17.937 8.880 32.058 1.00 0.00 N ATOM 0 H ARG A 83 -16.098 13.970 27.567 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.720 13.069 28.342 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -16.079 13.319 29.840 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -17.499 12.477 30.426 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -17.389 10.944 28.428 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.938 11.767 27.894 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.342 9.711 29.114 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.768 11.118 29.987 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.189 10.610 31.754 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.218 8.757 28.901 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.385 7.795 29.815 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.682 9.381 32.909 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.648 8.150 32.090 1.00 0.00 H new ATOM 1239 N ASN A 84 -19.277 15.627 28.790 1.00 0.00 N ATOM 1240 CA ASN A 84 -19.981 16.779 29.349 1.00 0.00 C ATOM 1241 C ASN A 84 -19.070 17.700 30.178 1.00 0.00 C ATOM 1242 O ASN A 84 -19.154 17.696 31.408 1.00 0.00 O ATOM 1243 CB ASN A 84 -21.202 16.292 30.147 1.00 0.00 C ATOM 1244 CG ASN A 84 -22.158 17.434 30.496 1.00 0.00 C ATOM 1245 OD1 ASN A 84 -23.227 17.550 29.907 1.00 0.00 O ATOM 1246 ND2 ASN A 84 -21.797 18.283 31.450 1.00 0.00 N ATOM 0 H ASN A 84 -19.554 15.439 27.827 1.00 0.00 H new ATOM 0 HA ASN A 84 -20.324 17.399 28.521 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -21.735 15.538 29.568 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -20.865 15.809 31.064 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -22.414 19.053 31.708 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -20.902 18.165 31.926 1.00 0.00 H new ATOM 1253 N PRO A 85 -18.227 18.522 29.530 1.00 0.00 N ATOM 1254 CA PRO A 85 -17.411 19.523 30.209 1.00 0.00 C ATOM 1255 C PRO A 85 -18.218 20.378 31.192 1.00 0.00 C ATOM 1256 O PRO A 85 -17.666 20.673 32.274 1.00 0.00 O ATOM 1257 CB PRO A 85 -16.809 20.384 29.095 1.00 0.00 C ATOM 1258 CG PRO A 85 -16.752 19.426 27.908 1.00 0.00 C ATOM 1259 CD PRO A 85 -18.007 18.575 28.093 1.00 0.00 C ATOM 1260 OXT PRO A 85 -19.361 20.740 30.834 1.00 0.00 O ATOM 0 HA PRO A 85 -16.645 19.043 30.819 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -17.428 21.255 28.880 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -15.819 20.754 29.362 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -16.763 19.960 26.958 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -15.847 18.819 27.922 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -18.861 19.017 27.580 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -17.869 17.576 27.679 1.00 0.00 H new TER 1268 PRO A 85