USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 560 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 41 LYS NZ :NH3+ 149:sc= 0.00362 (180deg=0) USER MOD Set 1.2: A 44 HIS : no HD1:sc= -3.63! K(o=-3.6!,f=-2.2) USER MOD Set 2.1: A 34 GLN : amide:sc= 0 X(o=1.1,f=1.1) USER MOD Set 2.2: A 36 TYR OH : rot -118:sc= 1.07 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc=-0.00483 X(o=-0.0048,f=0.016) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc=-0.00718 K(o=-0.0072,f=-0.9) USER MOD Single : A 8 ASN : amide:sc= -1.49 K(o=-1.5,f=-4.3!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0822 USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.007) USER MOD Single : A 15 THR OG1 : rot 84:sc=0.000859 USER MOD Single : A 18 ASN : amide:sc= -0.927 X(o=-0.93,f=-1.1) USER MOD Single : A 20 SER OG : rot -67:sc= -0.344! USER MOD Single : A 21 SER OG : rot -62:sc= 1.22 USER MOD Single : A 29 THR OG1 : rot -90:sc= 0.477 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.77! K(o=-1.8!,f=-0.6) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.31 K(o=-2.3,f=-1.2) USER MOD Single : A 48 ASN : amide:sc= -0.0461 X(o=-0.046,f=-0.25) USER MOD Single : A 51 THR OG1 : rot -85:sc= -0.672 USER MOD Single : A 52 THR OG1 : rot 128:sc= 0.378 USER MOD Single : A 57 ASN : amide:sc= -3.94! C(o=-3.9!,f=-3.1!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 165:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= -0.05 (180deg=-0.606) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -10! C(o=-10!,f=-16!) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 74 GLN : amide:sc= -0.0945 K(o=-0.095,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.277 -12.206 -6.435 1.00 0.00 N ATOM 2 CA LEU A 1 3.934 -10.780 -6.695 1.00 0.00 C ATOM 3 C LEU A 1 4.334 -9.933 -5.486 1.00 0.00 C ATOM 4 O LEU A 1 3.623 -9.864 -4.504 1.00 0.00 O ATOM 5 CB LEU A 1 2.427 -10.650 -6.932 1.00 0.00 C ATOM 6 CG LEU A 1 2.169 -9.609 -8.023 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.636 -8.234 -7.540 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.943 -9.991 -9.286 1.00 0.00 C ATOM 0 H1 LEU A 1 4.006 -12.784 -7.256 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.301 -12.293 -6.274 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.764 -12.538 -5.593 1.00 0.00 H new ATOM 0 HA LEU A 1 4.471 -10.433 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.010 -11.613 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.927 -10.356 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 1 1.102 -9.575 -8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.452 -7.493 -8.318 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.087 -7.959 -6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.703 -8.269 -7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.759 -9.249 -10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.009 -10.026 -9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.613 -10.970 -9.633 1.00 0.00 H new ATOM 22 N GLN A 2 5.465 -9.288 -5.551 1.00 0.00 N ATOM 23 CA GLN A 2 5.909 -8.448 -4.406 1.00 0.00 C ATOM 24 C GLN A 2 5.546 -6.989 -4.677 1.00 0.00 C ATOM 25 O GLN A 2 5.428 -6.568 -5.809 1.00 0.00 O ATOM 26 CB GLN A 2 7.424 -8.574 -4.240 1.00 0.00 C ATOM 27 CG GLN A 2 7.812 -10.052 -4.194 1.00 0.00 C ATOM 28 CD GLN A 2 8.915 -10.323 -5.218 1.00 0.00 C ATOM 29 OE1 GLN A 2 8.735 -11.104 -6.132 1.00 0.00 O ATOM 30 NE2 GLN A 2 10.060 -9.707 -5.104 1.00 0.00 N ATOM 0 H GLN A 2 6.101 -9.307 -6.348 1.00 0.00 H new ATOM 0 HA GLN A 2 5.415 -8.783 -3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.933 -8.079 -5.067 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.743 -8.075 -3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.156 -10.317 -3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.943 -10.674 -4.407 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.212 -9.051 -4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.802 -9.881 -5.781 1.00 0.00 H new ATOM 39 N CYS A 3 5.369 -6.217 -3.645 1.00 0.00 N ATOM 40 CA CYS A 3 5.018 -4.784 -3.840 1.00 0.00 C ATOM 41 C CYS A 3 5.706 -3.944 -2.762 1.00 0.00 C ATOM 42 O CYS A 3 6.420 -4.459 -1.925 1.00 0.00 O ATOM 43 CB CYS A 3 3.505 -4.610 -3.734 1.00 0.00 C ATOM 44 SG CYS A 3 2.679 -5.834 -4.784 1.00 0.00 S ATOM 0 H CYS A 3 5.452 -6.516 -2.673 1.00 0.00 H new ATOM 0 HA CYS A 3 5.351 -4.457 -4.825 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.186 -4.730 -2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.222 -3.603 -4.040 1.00 0.00 H new ATOM 49 N TYR A 4 5.503 -2.656 -2.775 1.00 0.00 N ATOM 50 CA TYR A 4 6.152 -1.793 -1.750 1.00 0.00 C ATOM 51 C TYR A 4 5.155 -1.484 -0.632 1.00 0.00 C ATOM 52 O TYR A 4 4.243 -0.700 -0.799 1.00 0.00 O ATOM 53 CB TYR A 4 6.609 -0.487 -2.399 1.00 0.00 C ATOM 54 CG TYR A 4 7.760 -0.766 -3.337 1.00 0.00 C ATOM 55 CD1 TYR A 4 7.518 -1.341 -4.591 1.00 0.00 C ATOM 56 CD2 TYR A 4 9.068 -0.450 -2.953 1.00 0.00 C ATOM 57 CE1 TYR A 4 8.584 -1.597 -5.460 1.00 0.00 C ATOM 58 CE2 TYR A 4 10.135 -0.705 -3.823 1.00 0.00 C ATOM 59 CZ TYR A 4 9.893 -1.279 -5.076 1.00 0.00 C ATOM 60 OH TYR A 4 10.944 -1.532 -5.933 1.00 0.00 O ATOM 0 H TYR A 4 4.917 -2.165 -3.450 1.00 0.00 H new ATOM 0 HA TYR A 4 7.014 -2.314 -1.333 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.783 -0.032 -2.945 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.915 0.225 -1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 4 6.509 -1.587 -4.887 1.00 0.00 H new ATOM 0 HD2 TYR A 4 9.255 -0.009 -1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 4 8.398 -2.040 -6.427 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.144 -0.459 -3.527 1.00 0.00 H new ATOM 0 HH TYR A 4 11.784 -1.251 -5.513 1.00 0.00 H new ATOM 70 N ASN A 5 5.324 -2.094 0.510 1.00 0.00 N ATOM 71 CA ASN A 5 4.389 -1.832 1.639 1.00 0.00 C ATOM 72 C ASN A 5 4.862 -0.597 2.409 1.00 0.00 C ATOM 73 O ASN A 5 5.780 -0.662 3.202 1.00 0.00 O ATOM 74 CB ASN A 5 4.370 -3.046 2.574 1.00 0.00 C ATOM 75 CG ASN A 5 3.350 -2.817 3.691 1.00 0.00 C ATOM 76 OD1 ASN A 5 2.320 -2.209 3.476 1.00 0.00 O ATOM 77 ND2 ASN A 5 3.595 -3.281 4.886 1.00 0.00 N ATOM 0 H ASN A 5 6.069 -2.762 0.709 1.00 0.00 H new ATOM 0 HA ASN A 5 3.385 -1.657 1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.115 -3.945 2.014 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.361 -3.206 2.999 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.922 -3.133 5.638 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.459 -3.791 5.068 1.00 0.00 H new ATOM 84 N CYS A 6 4.245 0.531 2.180 1.00 0.00 N ATOM 85 CA CYS A 6 4.662 1.769 2.895 1.00 0.00 C ATOM 86 C CYS A 6 3.497 2.274 3.756 1.00 0.00 C ATOM 87 O CYS A 6 2.431 2.552 3.243 1.00 0.00 O ATOM 88 CB CYS A 6 5.038 2.838 1.869 1.00 0.00 C ATOM 89 SG CYS A 6 6.088 2.103 0.592 1.00 0.00 S ATOM 0 H CYS A 6 3.470 0.647 1.528 1.00 0.00 H new ATOM 0 HA CYS A 6 5.520 1.556 3.533 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.139 3.258 1.419 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.562 3.659 2.358 1.00 0.00 H new ATOM 94 N PRO A 7 3.729 2.376 5.040 1.00 0.00 N ATOM 95 CA PRO A 7 2.706 2.843 5.992 1.00 0.00 C ATOM 96 C PRO A 7 2.593 4.369 5.946 1.00 0.00 C ATOM 97 O PRO A 7 1.775 4.960 6.624 1.00 0.00 O ATOM 98 CB PRO A 7 3.243 2.385 7.349 1.00 0.00 C ATOM 99 CG PRO A 7 4.770 2.209 7.174 1.00 0.00 C ATOM 100 CD PRO A 7 5.023 2.036 5.665 1.00 0.00 C ATOM 0 HA PRO A 7 1.711 2.453 5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.022 3.120 8.123 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.776 1.449 7.656 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.307 3.076 7.560 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.126 1.341 7.729 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.819 2.694 5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.325 1.016 5.426 1.00 0.00 H new ATOM 108 N ASN A 8 3.412 5.013 5.162 1.00 0.00 N ATOM 109 CA ASN A 8 3.349 6.502 5.089 1.00 0.00 C ATOM 110 C ASN A 8 3.300 6.959 3.626 1.00 0.00 C ATOM 111 O ASN A 8 3.948 6.380 2.776 1.00 0.00 O ATOM 112 CB ASN A 8 4.589 7.097 5.760 1.00 0.00 C ATOM 113 CG ASN A 8 4.897 6.323 7.043 1.00 0.00 C ATOM 114 OD1 ASN A 8 5.380 5.208 6.993 1.00 0.00 O ATOM 115 ND2 ASN A 8 4.638 6.870 8.199 1.00 0.00 N ATOM 0 H ASN A 8 4.119 4.577 4.571 1.00 0.00 H new ATOM 0 HA ASN A 8 2.449 6.843 5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.441 7.050 5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.422 8.149 5.989 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.841 6.362 9.060 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.233 7.805 8.241 1.00 0.00 H new ATOM 122 N PRO A 9 2.532 7.994 3.380 1.00 0.00 N ATOM 123 CA PRO A 9 2.380 8.565 2.032 1.00 0.00 C ATOM 124 C PRO A 9 3.581 9.448 1.700 1.00 0.00 C ATOM 125 O PRO A 9 3.537 10.656 1.828 1.00 0.00 O ATOM 126 CB PRO A 9 1.100 9.398 2.134 1.00 0.00 C ATOM 127 CG PRO A 9 0.913 9.721 3.636 1.00 0.00 C ATOM 128 CD PRO A 9 1.746 8.688 4.419 1.00 0.00 C ATOM 0 HA PRO A 9 2.325 7.811 1.247 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.183 10.312 1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.244 8.846 1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.246 10.735 3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.139 9.662 3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.393 9.171 5.152 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.108 7.994 4.966 1.00 0.00 H new ATOM 136 N THR A 10 4.653 8.846 1.280 1.00 0.00 N ATOM 137 CA THR A 10 5.870 9.637 0.941 1.00 0.00 C ATOM 138 C THR A 10 6.140 9.548 -0.561 1.00 0.00 C ATOM 139 O THR A 10 5.616 8.694 -1.248 1.00 0.00 O ATOM 140 CB THR A 10 7.071 9.079 1.708 1.00 0.00 C ATOM 141 OG1 THR A 10 8.219 9.866 1.422 1.00 0.00 O ATOM 142 CG2 THR A 10 7.323 7.631 1.283 1.00 0.00 C ATOM 0 H THR A 10 4.743 7.838 1.155 1.00 0.00 H new ATOM 0 HA THR A 10 5.712 10.679 1.219 1.00 0.00 H new ATOM 0 HB THR A 10 6.866 9.110 2.778 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.989 9.512 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.179 7.235 1.830 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.441 7.029 1.503 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.529 7.596 0.213 1.00 0.00 H new ATOM 150 N ALA A 11 6.956 10.427 -1.077 1.00 0.00 N ATOM 151 CA ALA A 11 7.263 10.397 -2.534 1.00 0.00 C ATOM 152 C ALA A 11 8.638 9.764 -2.751 1.00 0.00 C ATOM 153 O ALA A 11 9.385 10.163 -3.622 1.00 0.00 O ATOM 154 CB ALA A 11 7.266 11.824 -3.084 1.00 0.00 C ATOM 0 H ALA A 11 7.423 11.165 -0.551 1.00 0.00 H new ATOM 0 HA ALA A 11 6.506 9.810 -3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.491 11.802 -4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.286 12.276 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.023 12.412 -2.566 1.00 0.00 H new ATOM 160 N ASP A 12 8.980 8.783 -1.963 1.00 0.00 N ATOM 161 CA ASP A 12 10.308 8.126 -2.121 1.00 0.00 C ATOM 162 C ASP A 12 10.382 6.907 -1.200 1.00 0.00 C ATOM 163 O ASP A 12 11.395 6.642 -0.584 1.00 0.00 O ATOM 164 CB ASP A 12 11.414 9.117 -1.752 1.00 0.00 C ATOM 165 CG ASP A 12 10.964 9.957 -0.556 1.00 0.00 C ATOM 166 OD1 ASP A 12 10.006 10.697 -0.704 1.00 0.00 O ATOM 167 OD2 ASP A 12 11.587 9.848 0.488 1.00 0.00 O ATOM 0 H ASP A 12 8.397 8.407 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 12 10.439 7.808 -3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.332 8.581 -1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.637 9.763 -2.601 1.00 0.00 H new ATOM 172 N CYS A 13 9.315 6.166 -1.100 1.00 0.00 N ATOM 173 CA CYS A 13 9.318 4.966 -0.219 1.00 0.00 C ATOM 174 C CYS A 13 10.218 3.887 -0.826 1.00 0.00 C ATOM 175 O CYS A 13 10.511 3.898 -2.005 1.00 0.00 O ATOM 176 CB CYS A 13 7.893 4.428 -0.090 1.00 0.00 C ATOM 177 SG CYS A 13 7.906 2.921 0.912 1.00 0.00 S ATOM 0 H CYS A 13 8.438 6.340 -1.592 1.00 0.00 H new ATOM 0 HA CYS A 13 9.695 5.239 0.766 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.250 5.178 0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.481 4.218 -1.077 1.00 0.00 H new ATOM 182 N LYS A 14 10.662 2.954 -0.028 1.00 0.00 N ATOM 183 CA LYS A 14 11.543 1.877 -0.560 1.00 0.00 C ATOM 184 C LYS A 14 11.362 0.609 0.277 1.00 0.00 C ATOM 185 O LYS A 14 12.305 -0.108 0.546 1.00 0.00 O ATOM 186 CB LYS A 14 13.002 2.331 -0.486 1.00 0.00 C ATOM 187 CG LYS A 14 13.220 3.139 0.793 1.00 0.00 C ATOM 188 CD LYS A 14 14.532 2.709 1.455 1.00 0.00 C ATOM 189 CE LYS A 14 15.708 3.364 0.729 1.00 0.00 C ATOM 190 NZ LYS A 14 16.388 2.353 -0.130 1.00 0.00 N ATOM 0 H LYS A 14 10.453 2.892 0.968 1.00 0.00 H new ATOM 0 HA LYS A 14 11.277 1.669 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.664 1.466 -0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.250 2.936 -1.358 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.250 4.204 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.387 2.985 1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.533 2.998 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.630 1.624 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.355 4.196 0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.412 3.775 1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.218 2.785 -0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.693 1.549 0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.728 2.018 -0.861 1.00 0.00 H new ATOM 204 N THR A 15 10.158 0.324 0.690 1.00 0.00 N ATOM 205 CA THR A 15 9.922 -0.899 1.507 1.00 0.00 C ATOM 206 C THR A 15 9.486 -2.045 0.592 1.00 0.00 C ATOM 207 O THR A 15 8.316 -2.217 0.312 1.00 0.00 O ATOM 208 CB THR A 15 8.826 -0.620 2.537 1.00 0.00 C ATOM 209 OG1 THR A 15 9.219 0.469 3.361 1.00 0.00 O ATOM 210 CG2 THR A 15 8.608 -1.863 3.403 1.00 0.00 C ATOM 0 H THR A 15 9.328 0.885 0.497 1.00 0.00 H new ATOM 0 HA THR A 15 10.841 -1.176 2.023 1.00 0.00 H new ATOM 0 HB THR A 15 7.898 -0.371 2.022 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.991 1.313 2.918 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.827 -1.663 4.136 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.307 -2.699 2.771 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.535 -2.114 3.919 1.00 0.00 H new ATOM 218 N ALA A 16 10.417 -2.830 0.123 1.00 0.00 N ATOM 219 CA ALA A 16 10.054 -3.962 -0.775 1.00 0.00 C ATOM 220 C ALA A 16 9.761 -5.206 0.065 1.00 0.00 C ATOM 221 O ALA A 16 10.560 -5.615 0.884 1.00 0.00 O ATOM 222 CB ALA A 16 11.216 -4.251 -1.728 1.00 0.00 C ATOM 0 H ALA A 16 11.413 -2.736 0.323 1.00 0.00 H new ATOM 0 HA ALA A 16 9.168 -3.697 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.950 -5.079 -2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.424 -3.365 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.102 -4.515 -1.151 1.00 0.00 H new ATOM 228 N VAL A 17 8.624 -5.812 -0.132 1.00 0.00 N ATOM 229 CA VAL A 17 8.282 -7.029 0.654 1.00 0.00 C ATOM 230 C VAL A 17 7.211 -7.830 -0.090 1.00 0.00 C ATOM 231 O VAL A 17 6.349 -7.274 -0.740 1.00 0.00 O ATOM 232 CB VAL A 17 7.752 -6.616 2.028 1.00 0.00 C ATOM 233 CG1 VAL A 17 6.590 -5.636 1.853 1.00 0.00 C ATOM 234 CG2 VAL A 17 7.264 -7.857 2.779 1.00 0.00 C ATOM 0 H VAL A 17 7.916 -5.517 -0.804 1.00 0.00 H new ATOM 0 HA VAL A 17 9.173 -7.644 0.780 1.00 0.00 H new ATOM 0 HB VAL A 17 8.549 -6.136 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.212 -5.341 2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.937 -4.753 1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.792 -6.115 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.886 -7.564 3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.467 -8.336 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.091 -8.556 2.903 1.00 0.00 H new ATOM 244 N ASN A 18 7.259 -9.131 0.000 1.00 0.00 N ATOM 245 CA ASN A 18 6.243 -9.961 -0.704 1.00 0.00 C ATOM 246 C ASN A 18 4.845 -9.560 -0.237 1.00 0.00 C ATOM 247 O ASN A 18 4.685 -8.856 0.741 1.00 0.00 O ATOM 248 CB ASN A 18 6.483 -11.440 -0.393 1.00 0.00 C ATOM 249 CG ASN A 18 7.474 -12.015 -1.404 1.00 0.00 C ATOM 250 OD1 ASN A 18 7.093 -12.555 -2.424 1.00 0.00 O ATOM 251 ND2 ASN A 18 8.745 -11.908 -1.130 1.00 0.00 N ATOM 0 H ASN A 18 7.957 -9.654 0.530 1.00 0.00 H new ATOM 0 HA ASN A 18 6.326 -9.801 -1.779 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.872 -11.552 0.619 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.543 -11.990 -0.435 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.439 -12.281 -1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.044 -11.451 -0.269 1.00 0.00 H new ATOM 257 N CYS A 19 3.830 -9.998 -0.928 1.00 0.00 N ATOM 258 CA CYS A 19 2.444 -9.636 -0.522 1.00 0.00 C ATOM 259 C CYS A 19 1.604 -10.905 -0.372 1.00 0.00 C ATOM 260 O CYS A 19 2.041 -11.994 -0.684 1.00 0.00 O ATOM 261 CB CYS A 19 1.822 -8.734 -1.588 1.00 0.00 C ATOM 262 SG CYS A 19 1.743 -7.038 -0.965 1.00 0.00 S ATOM 0 H CYS A 19 3.900 -10.590 -1.755 1.00 0.00 H new ATOM 0 HA CYS A 19 2.472 -9.108 0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.414 -8.770 -2.502 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.823 -9.087 -1.842 1.00 0.00 H new ATOM 267 N SER A 20 0.400 -10.769 0.109 1.00 0.00 N ATOM 268 CA SER A 20 -0.475 -11.959 0.286 1.00 0.00 C ATOM 269 C SER A 20 -1.893 -11.492 0.610 1.00 0.00 C ATOM 270 O SER A 20 -2.297 -10.405 0.246 1.00 0.00 O ATOM 271 CB SER A 20 0.055 -12.815 1.437 1.00 0.00 C ATOM 272 OG SER A 20 1.436 -12.535 1.632 1.00 0.00 O ATOM 0 H SER A 20 -0.017 -9.881 0.388 1.00 0.00 H new ATOM 0 HA SER A 20 -0.482 -12.550 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.503 -12.605 2.349 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.086 -13.873 1.214 1.00 0.00 H new ATOM 0 HG SER A 20 1.946 -12.850 0.857 1.00 0.00 H new ATOM 278 N SER A 21 -2.653 -12.300 1.293 1.00 0.00 N ATOM 279 CA SER A 21 -4.043 -11.893 1.637 1.00 0.00 C ATOM 280 C SER A 21 -4.800 -11.540 0.354 1.00 0.00 C ATOM 281 O SER A 21 -5.664 -10.686 0.346 1.00 0.00 O ATOM 282 CB SER A 21 -3.999 -10.671 2.556 1.00 0.00 C ATOM 283 OG SER A 21 -5.320 -10.187 2.756 1.00 0.00 O ATOM 0 H SER A 21 -2.373 -13.222 1.627 1.00 0.00 H new ATOM 0 HA SER A 21 -4.551 -12.713 2.145 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.548 -10.937 3.512 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.377 -9.892 2.115 1.00 0.00 H new ATOM 0 HG SER A 21 -5.699 -9.905 1.897 1.00 0.00 H new ATOM 289 N ASP A 22 -4.479 -12.194 -0.729 1.00 0.00 N ATOM 290 CA ASP A 22 -5.175 -11.903 -2.014 1.00 0.00 C ATOM 291 C ASP A 22 -4.617 -10.613 -2.621 1.00 0.00 C ATOM 292 O ASP A 22 -5.352 -9.777 -3.106 1.00 0.00 O ATOM 293 CB ASP A 22 -6.675 -11.741 -1.760 1.00 0.00 C ATOM 294 CG ASP A 22 -7.439 -11.945 -3.069 1.00 0.00 C ATOM 295 OD1 ASP A 22 -6.794 -12.050 -4.098 1.00 0.00 O ATOM 296 OD2 ASP A 22 -8.657 -11.992 -3.020 1.00 0.00 O ATOM 0 H ASP A 22 -3.763 -12.919 -0.779 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.012 -12.729 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.009 -12.464 -1.015 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.881 -10.750 -1.357 1.00 0.00 H new ATOM 301 N PHE A 23 -3.322 -10.444 -2.599 1.00 0.00 N ATOM 302 CA PHE A 23 -2.719 -9.209 -3.177 1.00 0.00 C ATOM 303 C PHE A 23 -1.794 -9.588 -4.335 1.00 0.00 C ATOM 304 O PHE A 23 -0.633 -9.886 -4.141 1.00 0.00 O ATOM 305 CB PHE A 23 -1.910 -8.479 -2.102 1.00 0.00 C ATOM 306 CG PHE A 23 -2.819 -8.044 -0.974 1.00 0.00 C ATOM 307 CD1 PHE A 23 -4.191 -7.860 -1.201 1.00 0.00 C ATOM 308 CD2 PHE A 23 -2.286 -7.820 0.302 1.00 0.00 C ATOM 309 CE1 PHE A 23 -5.025 -7.453 -0.153 1.00 0.00 C ATOM 310 CE2 PHE A 23 -3.122 -7.413 1.349 1.00 0.00 C ATOM 311 CZ PHE A 23 -4.491 -7.230 1.122 1.00 0.00 C ATOM 0 H PHE A 23 -2.656 -11.108 -2.205 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.513 -8.556 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.128 -9.133 -1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.414 -7.610 -2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.604 -8.032 -2.184 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.230 -7.961 0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.081 -7.311 -0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.710 -7.240 2.332 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.135 -6.917 1.930 1.00 0.00 H new ATOM 321 N ASP A 24 -2.299 -9.580 -5.539 1.00 0.00 N ATOM 322 CA ASP A 24 -1.445 -9.941 -6.706 1.00 0.00 C ATOM 323 C ASP A 24 -1.293 -8.729 -7.628 1.00 0.00 C ATOM 324 O ASP A 24 -0.795 -8.836 -8.732 1.00 0.00 O ATOM 325 CB ASP A 24 -2.093 -11.092 -7.477 1.00 0.00 C ATOM 326 CG ASP A 24 -1.029 -11.814 -8.305 1.00 0.00 C ATOM 327 OD1 ASP A 24 -0.258 -12.558 -7.721 1.00 0.00 O ATOM 328 OD2 ASP A 24 -1.001 -11.611 -9.507 1.00 0.00 O ATOM 0 H ASP A 24 -3.264 -9.340 -5.764 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.462 -10.250 -6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.564 -11.789 -6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.879 -10.710 -8.129 1.00 0.00 H new ATOM 333 N ALA A 25 -1.715 -7.576 -7.186 1.00 0.00 N ATOM 334 CA ALA A 25 -1.589 -6.362 -8.039 1.00 0.00 C ATOM 335 C ALA A 25 -1.008 -5.219 -7.206 1.00 0.00 C ATOM 336 O ALA A 25 -1.702 -4.585 -6.438 1.00 0.00 O ATOM 337 CB ALA A 25 -2.970 -5.958 -8.562 1.00 0.00 C ATOM 0 H ALA A 25 -2.141 -7.423 -6.272 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.931 -6.575 -8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.877 -5.069 -9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.389 -6.774 -9.152 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.629 -5.743 -7.721 1.00 0.00 H new ATOM 343 N CYS A 26 0.257 -4.940 -7.354 1.00 0.00 N ATOM 344 CA CYS A 26 0.856 -3.829 -6.566 1.00 0.00 C ATOM 345 C CYS A 26 0.129 -2.542 -6.932 1.00 0.00 C ATOM 346 O CYS A 26 -0.202 -2.318 -8.076 1.00 0.00 O ATOM 347 CB CYS A 26 2.344 -3.693 -6.898 1.00 0.00 C ATOM 348 SG CYS A 26 3.166 -5.288 -6.666 1.00 0.00 S ATOM 0 H CYS A 26 0.896 -5.429 -7.981 1.00 0.00 H new ATOM 0 HA CYS A 26 0.756 -4.031 -5.500 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.468 -3.355 -7.927 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.802 -2.940 -6.257 1.00 0.00 H new ATOM 353 N LEU A 27 -0.144 -1.702 -5.979 1.00 0.00 N ATOM 354 CA LEU A 27 -0.876 -0.450 -6.300 1.00 0.00 C ATOM 355 C LEU A 27 0.032 0.762 -6.125 1.00 0.00 C ATOM 356 O LEU A 27 0.590 0.992 -5.069 1.00 0.00 O ATOM 357 CB LEU A 27 -2.081 -0.323 -5.372 1.00 0.00 C ATOM 358 CG LEU A 27 -2.791 1.005 -5.629 1.00 0.00 C ATOM 359 CD1 LEU A 27 -3.801 0.819 -6.762 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.519 1.444 -4.355 1.00 0.00 C ATOM 0 H LEU A 27 0.106 -1.826 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.206 -0.489 -7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.769 -1.152 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.759 -0.379 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.064 1.768 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.313 1.763 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.280 0.500 -7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.531 0.061 -6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.027 2.392 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.251 0.687 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.797 1.566 -3.547 1.00 0.00 H new ATOM 372 N ILE A 28 0.165 1.552 -7.151 1.00 0.00 N ATOM 373 CA ILE A 28 1.013 2.767 -7.056 1.00 0.00 C ATOM 374 C ILE A 28 0.141 3.986 -7.354 1.00 0.00 C ATOM 375 O ILE A 28 0.050 4.443 -8.478 1.00 0.00 O ATOM 376 CB ILE A 28 2.160 2.679 -8.067 1.00 0.00 C ATOM 377 CG1 ILE A 28 2.795 4.061 -8.245 1.00 0.00 C ATOM 378 CG2 ILE A 28 1.616 2.190 -9.410 1.00 0.00 C ATOM 379 CD1 ILE A 28 4.308 3.910 -8.423 1.00 0.00 C ATOM 0 H ILE A 28 -0.281 1.406 -8.057 1.00 0.00 H new ATOM 0 HA ILE A 28 1.440 2.852 -6.057 1.00 0.00 H new ATOM 0 HB ILE A 28 2.913 1.980 -7.702 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.364 4.562 -9.112 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.581 4.686 -7.378 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.431 2.127 -10.131 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.166 1.205 -9.283 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.863 2.889 -9.774 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.759 4.894 -8.550 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.732 3.427 -7.542 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.512 3.301 -9.304 1.00 0.00 H new ATOM 391 N THR A 29 -0.513 4.506 -6.352 1.00 0.00 N ATOM 392 CA THR A 29 -1.394 5.686 -6.562 1.00 0.00 C ATOM 393 C THR A 29 -0.605 6.965 -6.278 1.00 0.00 C ATOM 394 O THR A 29 0.289 6.985 -5.455 1.00 0.00 O ATOM 395 CB THR A 29 -2.589 5.600 -5.611 1.00 0.00 C ATOM 396 OG1 THR A 29 -3.467 4.571 -6.049 1.00 0.00 O ATOM 397 CG2 THR A 29 -3.334 6.936 -5.595 1.00 0.00 C ATOM 0 H THR A 29 -0.474 4.162 -5.393 1.00 0.00 H new ATOM 0 HA THR A 29 -1.749 5.700 -7.592 1.00 0.00 H new ATOM 0 HB THR A 29 -2.235 5.375 -4.605 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.124 4.945 -6.673 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.184 6.870 -4.916 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.661 7.724 -5.258 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.688 7.167 -6.600 1.00 0.00 H new ATOM 405 N LYS A 30 -0.927 8.034 -6.951 1.00 0.00 N ATOM 406 CA LYS A 30 -0.195 9.310 -6.717 1.00 0.00 C ATOM 407 C LYS A 30 -1.189 10.472 -6.704 1.00 0.00 C ATOM 408 O LYS A 30 -1.481 11.064 -7.725 1.00 0.00 O ATOM 409 CB LYS A 30 0.830 9.523 -7.835 1.00 0.00 C ATOM 410 CG LYS A 30 1.508 10.882 -7.654 1.00 0.00 C ATOM 411 CD LYS A 30 2.747 10.958 -8.549 1.00 0.00 C ATOM 412 CE LYS A 30 3.757 11.932 -7.940 1.00 0.00 C ATOM 413 NZ LYS A 30 5.138 11.416 -8.158 1.00 0.00 N ATOM 0 H LYS A 30 -1.665 8.079 -7.653 1.00 0.00 H new ATOM 0 HA LYS A 30 0.321 9.264 -5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.575 8.728 -7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.339 9.476 -8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.814 11.683 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.791 11.023 -6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.195 9.970 -8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.466 11.287 -9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.649 12.916 -8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.566 12.051 -6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.825 12.078 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.237 10.486 -7.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.317 11.324 -9.178 1.00 0.00 H new ATOM 427 N ALA A 31 -1.713 10.805 -5.556 1.00 0.00 N ATOM 428 CA ALA A 31 -2.690 11.929 -5.478 1.00 0.00 C ATOM 429 C ALA A 31 -1.951 13.259 -5.643 1.00 0.00 C ATOM 430 O ALA A 31 -0.827 13.304 -6.101 1.00 0.00 O ATOM 431 CB ALA A 31 -3.397 11.903 -4.122 1.00 0.00 C ATOM 0 H ALA A 31 -1.507 10.347 -4.668 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.429 11.822 -6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.110 12.725 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.925 10.957 -4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.660 12.009 -3.326 1.00 0.00 H new ATOM 437 N GLY A 32 -2.575 14.344 -5.274 1.00 0.00 N ATOM 438 CA GLY A 32 -1.909 15.670 -5.409 1.00 0.00 C ATOM 439 C GLY A 32 -0.462 15.571 -4.926 1.00 0.00 C ATOM 440 O GLY A 32 0.447 15.347 -5.701 1.00 0.00 O ATOM 0 H GLY A 32 -3.517 14.369 -4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.934 15.996 -6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.446 16.419 -4.827 1.00 0.00 H new ATOM 444 N LEU A 33 -0.239 15.739 -3.651 1.00 0.00 N ATOM 445 CA LEU A 33 1.152 15.656 -3.121 1.00 0.00 C ATOM 446 C LEU A 33 1.276 14.453 -2.182 1.00 0.00 C ATOM 447 O LEU A 33 2.333 14.176 -1.651 1.00 0.00 O ATOM 448 CB LEU A 33 1.481 16.937 -2.352 1.00 0.00 C ATOM 449 CG LEU A 33 1.434 18.131 -3.307 1.00 0.00 C ATOM 450 CD1 LEU A 33 0.057 18.793 -3.228 1.00 0.00 C ATOM 451 CD2 LEU A 33 2.510 19.143 -2.908 1.00 0.00 C ATOM 0 H LEU A 33 -0.959 15.930 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 33 1.848 15.539 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.769 17.079 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.469 16.858 -1.899 1.00 0.00 H new ATOM 0 HG LEU A 33 1.615 17.790 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.023 19.644 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.710 18.072 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.124 19.135 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.478 19.995 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.328 19.485 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.491 18.672 -2.963 1.00 0.00 H new ATOM 463 N GLN A 34 0.206 13.734 -1.972 1.00 0.00 N ATOM 464 CA GLN A 34 0.269 12.550 -1.068 1.00 0.00 C ATOM 465 C GLN A 34 0.366 11.272 -1.905 1.00 0.00 C ATOM 466 O GLN A 34 -0.559 10.904 -2.601 1.00 0.00 O ATOM 467 CB GLN A 34 -0.994 12.499 -0.205 1.00 0.00 C ATOM 468 CG GLN A 34 -0.796 13.366 1.040 1.00 0.00 C ATOM 469 CD GLN A 34 -2.158 13.816 1.570 1.00 0.00 C ATOM 470 OE1 GLN A 34 -2.928 13.013 2.060 1.00 0.00 O ATOM 471 NE2 GLN A 34 -2.492 15.075 1.491 1.00 0.00 N ATOM 0 H GLN A 34 -0.708 13.915 -2.387 1.00 0.00 H new ATOM 0 HA GLN A 34 1.146 12.631 -0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.852 12.854 -0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.208 11.470 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.263 12.804 1.807 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.183 14.234 0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.846 15.749 1.080 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.399 15.385 1.840 1.00 0.00 H new ATOM 480 N VAL A 35 1.479 10.594 -1.844 1.00 0.00 N ATOM 481 CA VAL A 35 1.636 9.343 -2.638 1.00 0.00 C ATOM 482 C VAL A 35 1.107 8.155 -1.831 1.00 0.00 C ATOM 483 O VAL A 35 0.958 8.227 -0.628 1.00 0.00 O ATOM 484 CB VAL A 35 3.116 9.126 -2.958 1.00 0.00 C ATOM 485 CG1 VAL A 35 3.275 7.863 -3.805 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.650 10.330 -3.737 1.00 0.00 C ATOM 0 H VAL A 35 2.287 10.853 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 35 1.072 9.429 -3.567 1.00 0.00 H new ATOM 0 HB VAL A 35 3.676 9.014 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.330 7.708 -4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.893 7.004 -3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.716 7.975 -4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.705 10.177 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.090 10.440 -4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.537 11.232 -3.136 1.00 0.00 H new ATOM 496 N TYR A 36 0.818 7.060 -2.483 1.00 0.00 N ATOM 497 CA TYR A 36 0.297 5.873 -1.748 1.00 0.00 C ATOM 498 C TYR A 36 0.925 4.597 -2.314 1.00 0.00 C ATOM 499 O TYR A 36 0.773 4.281 -3.476 1.00 0.00 O ATOM 500 CB TYR A 36 -1.222 5.799 -1.907 1.00 0.00 C ATOM 501 CG TYR A 36 -1.869 6.913 -1.122 1.00 0.00 C ATOM 502 CD1 TYR A 36 -1.930 6.843 0.275 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.413 8.015 -1.792 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.533 7.877 1.002 1.00 0.00 C ATOM 505 CE2 TYR A 36 -3.015 9.049 -1.066 1.00 0.00 C ATOM 506 CZ TYR A 36 -3.075 8.980 0.331 1.00 0.00 C ATOM 507 OH TYR A 36 -3.670 9.998 1.047 1.00 0.00 O ATOM 0 H TYR A 36 0.920 6.937 -3.490 1.00 0.00 H new ATOM 0 HA TYR A 36 0.552 5.966 -0.692 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.492 5.879 -2.960 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.588 4.834 -1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.512 5.992 0.792 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.368 8.067 -2.870 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.580 7.824 2.080 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.433 9.900 -1.583 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.616 10.062 0.799 1.00 0.00 H new ATOM 517 N ASN A 37 1.622 3.858 -1.496 1.00 0.00 N ATOM 518 CA ASN A 37 2.251 2.598 -1.982 1.00 0.00 C ATOM 519 C ASN A 37 1.706 1.422 -1.169 1.00 0.00 C ATOM 520 O ASN A 37 2.276 1.028 -0.170 1.00 0.00 O ATOM 521 CB ASN A 37 3.769 2.683 -1.811 1.00 0.00 C ATOM 522 CG ASN A 37 4.247 4.089 -2.173 1.00 0.00 C ATOM 523 OD1 ASN A 37 4.899 4.282 -3.180 1.00 0.00 O ATOM 524 ND2 ASN A 37 3.949 5.089 -1.387 1.00 0.00 N ATOM 0 H ASN A 37 1.783 4.072 -0.512 1.00 0.00 H new ATOM 0 HA ASN A 37 2.018 2.454 -3.037 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.043 2.448 -0.782 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.259 1.946 -2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.264 6.031 -1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.402 4.928 -0.542 1.00 0.00 H new ATOM 531 N LYS A 38 0.603 0.869 -1.585 1.00 0.00 N ATOM 532 CA LYS A 38 0.010 -0.276 -0.836 1.00 0.00 C ATOM 533 C LYS A 38 -0.307 -1.416 -1.801 1.00 0.00 C ATOM 534 O LYS A 38 -0.396 -1.230 -2.997 1.00 0.00 O ATOM 535 CB LYS A 38 -1.281 0.182 -0.153 1.00 0.00 C ATOM 536 CG LYS A 38 -1.049 0.314 1.353 1.00 0.00 C ATOM 537 CD LYS A 38 -2.345 0.767 2.030 1.00 0.00 C ATOM 538 CE LYS A 38 -2.393 2.295 2.070 1.00 0.00 C ATOM 539 NZ LYS A 38 -2.146 2.763 3.463 1.00 0.00 N ATOM 0 H LYS A 38 0.084 1.160 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 38 0.721 -0.625 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.603 1.138 -0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.080 -0.534 -0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.724 -0.641 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.253 1.033 1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.206 0.380 1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.399 0.364 3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.643 2.711 1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.364 2.648 1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.178 3.802 3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.877 2.377 4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.210 2.437 3.778 1.00 0.00 H new ATOM 553 N CYS A 39 -0.485 -2.596 -1.279 1.00 0.00 N ATOM 554 CA CYS A 39 -0.808 -3.762 -2.148 1.00 0.00 C ATOM 555 C CYS A 39 -2.294 -3.720 -2.498 1.00 0.00 C ATOM 556 O CYS A 39 -3.115 -3.326 -1.692 1.00 0.00 O ATOM 557 CB CYS A 39 -0.499 -5.060 -1.400 1.00 0.00 C ATOM 558 SG CYS A 39 0.674 -6.046 -2.361 1.00 0.00 S ATOM 0 H CYS A 39 -0.420 -2.805 -0.283 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.210 -3.721 -3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.083 -4.836 -0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.417 -5.625 -1.236 1.00 0.00 H new ATOM 563 N TRP A 40 -2.656 -4.100 -3.692 1.00 0.00 N ATOM 564 CA TRP A 40 -4.090 -4.048 -4.068 1.00 0.00 C ATOM 565 C TRP A 40 -4.412 -5.167 -5.065 1.00 0.00 C ATOM 566 O TRP A 40 -3.531 -5.768 -5.649 1.00 0.00 O ATOM 567 CB TRP A 40 -4.361 -2.685 -4.698 1.00 0.00 C ATOM 568 CG TRP A 40 -5.765 -2.274 -4.437 1.00 0.00 C ATOM 569 CD1 TRP A 40 -6.832 -2.711 -5.129 1.00 0.00 C ATOM 570 CD2 TRP A 40 -6.271 -1.353 -3.430 1.00 0.00 C ATOM 571 NE1 TRP A 40 -7.973 -2.116 -4.617 1.00 0.00 N ATOM 572 CE2 TRP A 40 -7.676 -1.268 -3.565 1.00 0.00 C ATOM 573 CE3 TRP A 40 -5.654 -0.588 -2.425 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.444 -0.455 -2.729 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -6.422 0.232 -1.582 1.00 0.00 C ATOM 576 CH2 TRP A 40 -7.814 0.299 -1.735 1.00 0.00 C ATOM 0 H TRP A 40 -2.024 -4.441 -4.416 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.719 -4.187 -3.189 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.674 -1.943 -4.289 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.180 -2.729 -5.772 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.804 -3.412 -5.950 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -8.915 -2.282 -4.971 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.582 -0.631 -2.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -9.516 -0.409 -2.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.938 0.814 -0.812 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -8.399 0.933 -1.085 1.00 0.00 H new ATOM 587 N LYS A 41 -5.671 -5.455 -5.261 1.00 0.00 N ATOM 588 CA LYS A 41 -6.051 -6.535 -6.215 1.00 0.00 C ATOM 589 C LYS A 41 -6.345 -5.924 -7.585 1.00 0.00 C ATOM 590 O LYS A 41 -6.588 -4.740 -7.708 1.00 0.00 O ATOM 591 CB LYS A 41 -7.297 -7.256 -5.701 1.00 0.00 C ATOM 592 CG LYS A 41 -6.874 -8.443 -4.836 1.00 0.00 C ATOM 593 CD LYS A 41 -7.845 -8.597 -3.665 1.00 0.00 C ATOM 594 CE LYS A 41 -7.550 -7.525 -2.613 1.00 0.00 C ATOM 595 NZ LYS A 41 -8.670 -7.470 -1.631 1.00 0.00 N ATOM 0 H LYS A 41 -6.453 -4.988 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.230 -7.247 -6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.914 -6.570 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.904 -7.600 -6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.861 -9.355 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.861 -8.292 -4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.873 -8.504 -4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.747 -9.590 -3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.614 -7.750 -2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.425 -6.554 -3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.302 -7.188 -0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.376 -6.776 -1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.114 -8.407 -1.558 1.00 0.00 H new ATOM 609 N PHE A 42 -6.331 -6.722 -8.617 1.00 0.00 N ATOM 610 CA PHE A 42 -6.614 -6.187 -9.975 1.00 0.00 C ATOM 611 C PHE A 42 -8.124 -6.055 -10.153 1.00 0.00 C ATOM 612 O PHE A 42 -8.605 -5.181 -10.846 1.00 0.00 O ATOM 613 CB PHE A 42 -6.057 -7.145 -11.029 1.00 0.00 C ATOM 614 CG PHE A 42 -5.236 -6.369 -12.030 1.00 0.00 C ATOM 615 CD1 PHE A 42 -5.848 -5.402 -12.836 1.00 0.00 C ATOM 616 CD2 PHE A 42 -3.863 -6.616 -12.152 1.00 0.00 C ATOM 617 CE1 PHE A 42 -5.087 -4.683 -13.765 1.00 0.00 C ATOM 618 CE2 PHE A 42 -3.103 -5.895 -13.081 1.00 0.00 C ATOM 619 CZ PHE A 42 -3.714 -4.929 -13.888 1.00 0.00 C ATOM 0 H PHE A 42 -6.135 -7.722 -8.577 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.142 -5.211 -10.092 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.443 -7.909 -10.553 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.873 -7.661 -11.534 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.907 -5.211 -12.741 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.391 -7.362 -11.530 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.559 -3.938 -14.388 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.044 -6.085 -13.175 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.127 -4.374 -14.605 1.00 0.00 H new ATOM 629 N GLU A 43 -8.877 -6.915 -9.527 1.00 0.00 N ATOM 630 CA GLU A 43 -10.354 -6.833 -9.657 1.00 0.00 C ATOM 631 C GLU A 43 -10.843 -5.568 -8.954 1.00 0.00 C ATOM 632 O GLU A 43 -11.853 -4.995 -9.310 1.00 0.00 O ATOM 633 CB GLU A 43 -11.000 -8.062 -9.013 1.00 0.00 C ATOM 634 CG GLU A 43 -12.391 -8.279 -9.614 1.00 0.00 C ATOM 635 CD GLU A 43 -12.266 -9.057 -10.925 1.00 0.00 C ATOM 636 OE1 GLU A 43 -11.785 -8.482 -11.887 1.00 0.00 O ATOM 637 OE2 GLU A 43 -12.655 -10.214 -10.944 1.00 0.00 O ATOM 0 H GLU A 43 -8.533 -7.669 -8.933 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.629 -6.800 -10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.379 -8.942 -9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.075 -7.924 -7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.020 -8.827 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.875 -7.319 -9.793 1.00 0.00 H new ATOM 644 N HIS A 44 -10.125 -5.126 -7.960 1.00 0.00 N ATOM 645 CA HIS A 44 -10.533 -3.896 -7.232 1.00 0.00 C ATOM 646 C HIS A 44 -9.697 -2.718 -7.737 1.00 0.00 C ATOM 647 O HIS A 44 -9.538 -1.721 -7.059 1.00 0.00 O ATOM 648 CB HIS A 44 -10.291 -4.087 -5.734 1.00 0.00 C ATOM 649 CG HIS A 44 -10.768 -5.450 -5.318 1.00 0.00 C ATOM 650 ND1 HIS A 44 -10.266 -6.099 -4.200 1.00 0.00 N ATOM 651 CD2 HIS A 44 -11.699 -6.303 -5.859 1.00 0.00 C ATOM 652 CE1 HIS A 44 -10.892 -7.288 -4.106 1.00 0.00 C ATOM 653 NE2 HIS A 44 -11.775 -7.462 -5.092 1.00 0.00 N ATOM 0 H HIS A 44 -9.270 -5.566 -7.620 1.00 0.00 H new ATOM 0 HA HIS A 44 -11.591 -3.699 -7.405 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.230 -3.977 -5.510 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.818 -3.318 -5.169 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.283 -6.104 -6.745 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -10.703 -8.012 -3.328 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.376 -8.271 -5.249 1.00 0.00 H new ATOM 661 N CYS A 45 -9.158 -2.826 -8.922 1.00 0.00 N ATOM 662 CA CYS A 45 -8.329 -1.714 -9.465 1.00 0.00 C ATOM 663 C CYS A 45 -9.135 -0.919 -10.494 1.00 0.00 C ATOM 664 O CYS A 45 -8.973 -1.081 -11.687 1.00 0.00 O ATOM 665 CB CYS A 45 -7.077 -2.287 -10.131 1.00 0.00 C ATOM 666 SG CYS A 45 -5.754 -2.427 -8.904 1.00 0.00 S ATOM 0 H CYS A 45 -9.256 -3.635 -9.535 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.038 -1.053 -8.648 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.295 -3.265 -10.560 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.761 -1.643 -10.951 1.00 0.00 H new ATOM 671 N ASN A 46 -10.000 -0.055 -10.039 1.00 0.00 N ATOM 672 CA ASN A 46 -10.815 0.757 -10.984 1.00 0.00 C ATOM 673 C ASN A 46 -11.026 2.149 -10.389 1.00 0.00 C ATOM 674 O ASN A 46 -10.405 2.515 -9.410 1.00 0.00 O ATOM 675 CB ASN A 46 -12.173 0.085 -11.201 1.00 0.00 C ATOM 676 CG ASN A 46 -11.971 -1.412 -11.443 1.00 0.00 C ATOM 677 OD1 ASN A 46 -12.047 -1.872 -12.565 1.00 0.00 O ATOM 678 ND2 ASN A 46 -11.714 -2.197 -10.433 1.00 0.00 N ATOM 0 H ASN A 46 -10.177 0.124 -9.051 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.297 0.837 -11.940 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.810 0.240 -10.331 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -12.682 0.536 -12.053 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.577 -3.196 -10.586 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.650 -1.811 -9.491 1.00 0.00 H new ATOM 685 N PHE A 47 -11.899 2.927 -10.964 1.00 0.00 N ATOM 686 CA PHE A 47 -12.145 4.290 -10.418 1.00 0.00 C ATOM 687 C PHE A 47 -13.249 4.215 -9.362 1.00 0.00 C ATOM 688 O PHE A 47 -14.111 5.069 -9.286 1.00 0.00 O ATOM 689 CB PHE A 47 -12.578 5.226 -11.547 1.00 0.00 C ATOM 690 CG PHE A 47 -12.031 6.607 -11.285 1.00 0.00 C ATOM 691 CD1 PHE A 47 -10.712 6.915 -11.636 1.00 0.00 C ATOM 692 CD2 PHE A 47 -12.842 7.578 -10.688 1.00 0.00 C ATOM 693 CE1 PHE A 47 -10.204 8.196 -11.390 1.00 0.00 C ATOM 694 CE2 PHE A 47 -12.335 8.859 -10.442 1.00 0.00 C ATOM 695 CZ PHE A 47 -11.015 9.168 -10.792 1.00 0.00 C ATOM 0 H PHE A 47 -12.451 2.680 -11.785 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.230 4.674 -9.966 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.213 4.853 -12.504 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -13.666 5.259 -11.611 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.086 6.165 -12.096 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -13.860 7.339 -10.417 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.186 8.435 -11.662 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -12.962 9.609 -9.982 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.623 10.156 -10.601 1.00 0.00 H new ATOM 705 N ASN A 48 -13.227 3.197 -8.547 1.00 0.00 N ATOM 706 CA ASN A 48 -14.269 3.057 -7.493 1.00 0.00 C ATOM 707 C ASN A 48 -13.800 2.035 -6.456 1.00 0.00 C ATOM 708 O ASN A 48 -13.947 2.229 -5.266 1.00 0.00 O ATOM 709 CB ASN A 48 -15.577 2.577 -8.126 1.00 0.00 C ATOM 710 CG ASN A 48 -16.757 3.024 -7.262 1.00 0.00 C ATOM 711 OD1 ASN A 48 -16.901 4.194 -6.966 1.00 0.00 O ATOM 712 ND2 ASN A 48 -17.616 2.135 -6.840 1.00 0.00 N ATOM 0 H ASN A 48 -12.529 2.453 -8.566 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.434 4.021 -7.011 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.676 2.982 -9.133 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.571 1.491 -8.219 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.406 2.423 -6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.497 1.153 -7.088 1.00 0.00 H new ATOM 719 N ASP A 49 -13.230 0.948 -6.899 1.00 0.00 N ATOM 720 CA ASP A 49 -12.749 -0.081 -5.936 1.00 0.00 C ATOM 721 C ASP A 49 -11.484 0.427 -5.239 1.00 0.00 C ATOM 722 O ASP A 49 -10.982 -0.190 -4.322 1.00 0.00 O ATOM 723 CB ASP A 49 -12.431 -1.377 -6.686 1.00 0.00 C ATOM 724 CG ASP A 49 -13.733 -2.022 -7.166 1.00 0.00 C ATOM 725 OD1 ASP A 49 -14.458 -2.537 -6.332 1.00 0.00 O ATOM 726 OD2 ASP A 49 -13.980 -1.991 -8.360 1.00 0.00 O ATOM 0 H ASP A 49 -13.077 0.729 -7.883 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.524 -0.273 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.782 -1.168 -7.536 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.891 -2.064 -6.034 1.00 0.00 H new ATOM 731 N VAL A 50 -10.966 1.546 -5.668 1.00 0.00 N ATOM 732 CA VAL A 50 -9.733 2.090 -5.030 1.00 0.00 C ATOM 733 C VAL A 50 -9.970 3.552 -4.632 1.00 0.00 C ATOM 734 O VAL A 50 -9.691 3.955 -3.520 1.00 0.00 O ATOM 735 CB VAL A 50 -8.566 2.004 -6.025 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.438 2.946 -5.596 1.00 0.00 C ATOM 737 CG2 VAL A 50 -8.035 0.569 -6.058 1.00 0.00 C ATOM 0 H VAL A 50 -11.343 2.107 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.491 1.509 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.920 2.295 -7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.616 2.877 -6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.810 3.970 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.084 2.662 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.206 0.504 -6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.689 0.286 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.831 -0.107 -6.370 1.00 0.00 H new ATOM 747 N THR A 51 -10.481 4.347 -5.533 1.00 0.00 N ATOM 748 CA THR A 51 -10.730 5.781 -5.206 1.00 0.00 C ATOM 749 C THR A 51 -11.733 5.879 -4.054 1.00 0.00 C ATOM 750 O THR A 51 -11.842 6.898 -3.402 1.00 0.00 O ATOM 751 CB THR A 51 -11.297 6.501 -6.435 1.00 0.00 C ATOM 752 OG1 THR A 51 -11.690 5.544 -7.409 1.00 0.00 O ATOM 753 CG2 THR A 51 -10.231 7.425 -7.026 1.00 0.00 C ATOM 0 H THR A 51 -10.736 4.066 -6.480 1.00 0.00 H new ATOM 0 HA THR A 51 -9.790 6.249 -4.912 1.00 0.00 H new ATOM 0 HB THR A 51 -12.164 7.092 -6.139 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.915 5.297 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.636 7.936 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.934 8.162 -6.280 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.362 6.836 -7.320 1.00 0.00 H new ATOM 761 N THR A 52 -12.470 4.833 -3.801 1.00 0.00 N ATOM 762 CA THR A 52 -13.465 4.875 -2.695 1.00 0.00 C ATOM 763 C THR A 52 -12.866 4.247 -1.434 1.00 0.00 C ATOM 764 O THR A 52 -13.084 4.712 -0.334 1.00 0.00 O ATOM 765 CB THR A 52 -14.712 4.094 -3.108 1.00 0.00 C ATOM 766 OG1 THR A 52 -14.895 4.212 -4.512 1.00 0.00 O ATOM 767 CG2 THR A 52 -15.932 4.657 -2.385 1.00 0.00 C ATOM 0 H THR A 52 -12.426 3.952 -4.313 1.00 0.00 H new ATOM 0 HA THR A 52 -13.731 5.912 -2.488 1.00 0.00 H new ATOM 0 HB THR A 52 -14.589 3.044 -2.842 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.992 3.320 -4.905 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.820 4.099 -2.681 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.790 4.568 -1.308 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.059 5.707 -2.649 1.00 0.00 H new ATOM 775 N ARG A 53 -12.116 3.189 -1.583 1.00 0.00 N ATOM 776 CA ARG A 53 -11.511 2.534 -0.389 1.00 0.00 C ATOM 777 C ARG A 53 -10.565 3.516 0.307 1.00 0.00 C ATOM 778 O ARG A 53 -10.500 3.578 1.518 1.00 0.00 O ATOM 779 CB ARG A 53 -10.726 1.295 -0.826 1.00 0.00 C ATOM 780 CG ARG A 53 -11.684 0.112 -0.980 1.00 0.00 C ATOM 781 CD ARG A 53 -10.928 -1.194 -0.732 1.00 0.00 C ATOM 782 NE ARG A 53 -11.870 -2.223 -0.207 1.00 0.00 N ATOM 783 CZ ARG A 53 -11.581 -2.874 0.886 1.00 0.00 C ATOM 784 NH1 ARG A 53 -11.575 -2.252 2.033 1.00 0.00 N ATOM 785 NH2 ARG A 53 -11.297 -4.147 0.831 1.00 0.00 N ATOM 0 H ARG A 53 -11.897 2.751 -2.478 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.302 2.238 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.216 1.489 -1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.957 1.060 -0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.510 0.206 -0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.117 0.109 -1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.471 -1.543 -1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.120 -1.029 -0.020 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.740 -2.418 -0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.796 -1.257 2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.349 -2.761 2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.301 -4.632 -0.066 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.071 -4.656 1.685 1.00 0.00 H new ATOM 799 N LEU A 54 -9.830 4.281 -0.451 1.00 0.00 N ATOM 800 CA LEU A 54 -8.890 5.255 0.165 1.00 0.00 C ATOM 801 C LEU A 54 -9.660 6.507 0.601 1.00 0.00 C ATOM 802 O LEU A 54 -9.119 7.385 1.243 1.00 0.00 O ATOM 803 CB LEU A 54 -7.820 5.640 -0.858 1.00 0.00 C ATOM 804 CG LEU A 54 -7.171 4.372 -1.414 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.426 4.704 -2.708 1.00 0.00 C ATOM 806 CD2 LEU A 54 -6.183 3.811 -0.388 1.00 0.00 C ATOM 0 H LEU A 54 -9.840 4.273 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.416 4.804 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.266 6.219 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.066 6.273 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.943 3.631 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.964 3.800 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.128 5.103 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.655 5.446 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.721 2.907 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.412 4.553 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.712 3.573 0.535 1.00 0.00 H new ATOM 818 N ARG A 55 -10.918 6.592 0.260 1.00 0.00 N ATOM 819 CA ARG A 55 -11.722 7.782 0.657 1.00 0.00 C ATOM 820 C ARG A 55 -11.181 9.027 -0.047 1.00 0.00 C ATOM 821 O ARG A 55 -10.849 10.014 0.580 1.00 0.00 O ATOM 822 CB ARG A 55 -11.640 7.971 2.172 1.00 0.00 C ATOM 823 CG ARG A 55 -12.072 6.679 2.867 1.00 0.00 C ATOM 824 CD ARG A 55 -12.676 7.010 4.233 1.00 0.00 C ATOM 825 NE ARG A 55 -11.726 7.861 5.002 1.00 0.00 N ATOM 826 CZ ARG A 55 -11.968 9.134 5.153 1.00 0.00 C ATOM 827 NH1 ARG A 55 -12.939 9.526 5.932 1.00 0.00 N ATOM 828 NH2 ARG A 55 -11.240 10.016 4.525 1.00 0.00 N ATOM 0 H ARG A 55 -11.423 5.887 -0.277 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.762 7.629 0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.622 8.231 2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.281 8.796 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.802 6.150 2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.216 6.015 2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.626 7.529 4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.885 6.092 4.782 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.887 7.449 5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.509 8.837 6.423 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.128 10.521 6.050 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.481 9.710 3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.430 11.011 4.643 1.00 0.00 H new ATOM 842 N GLU A 56 -11.093 8.990 -1.347 1.00 0.00 N ATOM 843 CA GLU A 56 -10.579 10.167 -2.099 1.00 0.00 C ATOM 844 C GLU A 56 -11.158 10.152 -3.516 1.00 0.00 C ATOM 845 O GLU A 56 -12.073 9.408 -3.813 1.00 0.00 O ATOM 846 CB GLU A 56 -9.050 10.101 -2.166 1.00 0.00 C ATOM 847 CG GLU A 56 -8.488 9.908 -0.756 1.00 0.00 C ATOM 848 CD GLU A 56 -6.961 10.001 -0.800 1.00 0.00 C ATOM 849 OE1 GLU A 56 -6.417 9.984 -1.891 1.00 0.00 O ATOM 850 OE2 GLU A 56 -6.363 10.086 0.260 1.00 0.00 O ATOM 0 H GLU A 56 -11.356 8.191 -1.923 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.878 11.085 -1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.738 9.278 -2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.654 11.017 -2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.890 10.667 -0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.793 8.939 -0.361 1.00 0.00 H new ATOM 857 N ASN A 57 -10.638 10.965 -4.396 1.00 0.00 N ATOM 858 CA ASN A 57 -11.169 10.988 -5.788 1.00 0.00 C ATOM 859 C ASN A 57 -10.144 11.640 -6.718 1.00 0.00 C ATOM 860 O ASN A 57 -9.896 11.170 -7.811 1.00 0.00 O ATOM 861 CB ASN A 57 -12.473 11.788 -5.826 1.00 0.00 C ATOM 862 CG ASN A 57 -13.609 10.943 -5.243 1.00 0.00 C ATOM 863 OD1 ASN A 57 -14.352 11.402 -4.399 1.00 0.00 O ATOM 864 ND2 ASN A 57 -13.777 9.719 -5.664 1.00 0.00 N ATOM 0 H ASN A 57 -9.871 11.612 -4.211 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.360 9.967 -6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.363 12.711 -5.256 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.707 12.073 -6.852 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.532 9.148 -5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.153 9.333 -6.373 1.00 0.00 H new ATOM 871 N GLU A 58 -9.545 12.720 -6.294 1.00 0.00 N ATOM 872 CA GLU A 58 -8.537 13.397 -7.157 1.00 0.00 C ATOM 873 C GLU A 58 -7.197 12.670 -7.044 1.00 0.00 C ATOM 874 O GLU A 58 -6.358 13.017 -6.235 1.00 0.00 O ATOM 875 CB GLU A 58 -8.368 14.849 -6.704 1.00 0.00 C ATOM 876 CG GLU A 58 -7.144 15.457 -7.393 1.00 0.00 C ATOM 877 CD GLU A 58 -7.364 16.957 -7.598 1.00 0.00 C ATOM 878 OE1 GLU A 58 -8.056 17.311 -8.540 1.00 0.00 O ATOM 879 OE2 GLU A 58 -6.838 17.726 -6.812 1.00 0.00 O ATOM 0 H GLU A 58 -9.710 13.161 -5.389 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.876 13.377 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.261 15.424 -6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.249 14.892 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.253 15.289 -6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.975 14.969 -8.353 1.00 0.00 H new ATOM 886 N LEU A 59 -6.985 11.665 -7.848 1.00 0.00 N ATOM 887 CA LEU A 59 -5.698 10.920 -7.783 1.00 0.00 C ATOM 888 C LEU A 59 -5.675 9.847 -8.871 1.00 0.00 C ATOM 889 O LEU A 59 -6.468 9.864 -9.791 1.00 0.00 O ATOM 890 CB LEU A 59 -5.562 10.255 -6.413 1.00 0.00 C ATOM 891 CG LEU A 59 -6.595 9.134 -6.286 1.00 0.00 C ATOM 892 CD1 LEU A 59 -6.371 8.378 -4.975 1.00 0.00 C ATOM 893 CD2 LEU A 59 -8.003 9.734 -6.291 1.00 0.00 C ATOM 0 H LEU A 59 -7.647 11.328 -8.547 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.870 11.613 -7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.556 9.853 -6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.710 10.991 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.488 8.447 -7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.107 7.579 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.369 7.950 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.477 9.065 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.739 8.935 -6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.109 10.422 -5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.165 10.273 -7.224 1.00 0.00 H new ATOM 905 N THR A 60 -4.773 8.910 -8.772 1.00 0.00 N ATOM 906 CA THR A 60 -4.702 7.833 -9.798 1.00 0.00 C ATOM 907 C THR A 60 -4.484 6.487 -9.108 1.00 0.00 C ATOM 908 O THR A 60 -4.543 6.382 -7.899 1.00 0.00 O ATOM 909 CB THR A 60 -3.541 8.114 -10.755 1.00 0.00 C ATOM 910 OG1 THR A 60 -2.422 8.582 -10.014 1.00 0.00 O ATOM 911 CG2 THR A 60 -3.962 9.175 -11.773 1.00 0.00 C ATOM 0 H THR A 60 -4.082 8.844 -8.025 1.00 0.00 H new ATOM 0 HA THR A 60 -5.635 7.805 -10.361 1.00 0.00 H new ATOM 0 HB THR A 60 -3.272 7.198 -11.280 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.677 8.761 -10.625 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.135 9.374 -12.454 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.820 8.815 -12.340 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.232 10.093 -11.251 1.00 0.00 H new ATOM 919 N TYR A 61 -4.235 5.455 -9.866 1.00 0.00 N ATOM 920 CA TYR A 61 -4.017 4.114 -9.253 1.00 0.00 C ATOM 921 C TYR A 61 -3.494 3.150 -10.319 1.00 0.00 C ATOM 922 O TYR A 61 -4.256 2.543 -11.045 1.00 0.00 O ATOM 923 CB TYR A 61 -5.343 3.587 -8.702 1.00 0.00 C ATOM 924 CG TYR A 61 -6.340 3.465 -9.830 1.00 0.00 C ATOM 925 CD1 TYR A 61 -6.841 4.618 -10.447 1.00 0.00 C ATOM 926 CD2 TYR A 61 -6.761 2.201 -10.260 1.00 0.00 C ATOM 927 CE1 TYR A 61 -7.762 4.507 -11.494 1.00 0.00 C ATOM 928 CE2 TYR A 61 -7.683 2.090 -11.308 1.00 0.00 C ATOM 929 CZ TYR A 61 -8.184 3.243 -11.925 1.00 0.00 C ATOM 930 OH TYR A 61 -9.092 3.134 -12.959 1.00 0.00 O ATOM 0 H TYR A 61 -4.173 5.482 -10.884 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.291 4.195 -8.444 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.193 2.617 -8.228 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.725 4.261 -7.935 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.516 5.593 -10.114 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.375 1.312 -9.784 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.148 5.396 -11.970 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.008 1.115 -11.640 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.098 2.213 -13.293 1.00 0.00 H new ATOM 940 N TYR A 62 -2.202 2.999 -10.424 1.00 0.00 N ATOM 941 CA TYR A 62 -1.653 2.070 -11.451 1.00 0.00 C ATOM 942 C TYR A 62 -1.330 0.722 -10.804 1.00 0.00 C ATOM 943 O TYR A 62 -0.446 0.614 -9.978 1.00 0.00 O ATOM 944 CB TYR A 62 -0.382 2.664 -12.059 1.00 0.00 C ATOM 945 CG TYR A 62 0.155 1.722 -13.110 1.00 0.00 C ATOM 946 CD1 TYR A 62 -0.402 1.717 -14.394 1.00 0.00 C ATOM 947 CD2 TYR A 62 1.208 0.853 -12.800 1.00 0.00 C ATOM 948 CE1 TYR A 62 0.094 0.843 -15.368 1.00 0.00 C ATOM 949 CE2 TYR A 62 1.704 -0.020 -13.775 1.00 0.00 C ATOM 950 CZ TYR A 62 1.146 -0.026 -15.060 1.00 0.00 C ATOM 951 OH TYR A 62 1.635 -0.887 -16.021 1.00 0.00 O ATOM 0 H TYR A 62 -1.508 3.475 -9.848 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.394 1.926 -12.237 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.597 3.637 -12.501 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.366 2.825 -11.282 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.214 2.387 -14.633 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.637 0.856 -11.809 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.336 0.839 -16.359 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.517 -0.689 -13.537 1.00 0.00 H new ATOM 0 HH TYR A 62 2.365 -1.420 -15.642 1.00 0.00 H new ATOM 961 N CYS A 63 -2.042 -0.306 -11.175 1.00 0.00 N ATOM 962 CA CYS A 63 -1.779 -1.646 -10.586 1.00 0.00 C ATOM 963 C CYS A 63 -0.900 -2.457 -11.538 1.00 0.00 C ATOM 964 O CYS A 63 -0.937 -2.274 -12.738 1.00 0.00 O ATOM 965 CB CYS A 63 -3.108 -2.371 -10.368 1.00 0.00 C ATOM 966 SG CYS A 63 -4.293 -1.228 -9.615 1.00 0.00 S ATOM 0 H CYS A 63 -2.795 -0.274 -11.862 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.266 -1.533 -9.631 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.494 -2.741 -11.318 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.962 -3.238 -9.724 1.00 0.00 H new ATOM 971 N CYS A 64 -0.105 -3.353 -11.017 1.00 0.00 N ATOM 972 CA CYS A 64 0.772 -4.167 -11.907 1.00 0.00 C ATOM 973 C CYS A 64 1.074 -5.514 -11.248 1.00 0.00 C ATOM 974 O CYS A 64 0.831 -5.712 -10.075 1.00 0.00 O ATOM 975 CB CYS A 64 2.084 -3.419 -12.168 1.00 0.00 C ATOM 976 SG CYS A 64 2.575 -2.503 -10.685 1.00 0.00 S ATOM 0 H CYS A 64 -0.025 -3.556 -10.021 1.00 0.00 H new ATOM 0 HA CYS A 64 0.258 -4.336 -12.853 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.866 -4.125 -12.446 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.961 -2.733 -13.006 1.00 0.00 H new ATOM 981 N LYS A 65 1.599 -6.444 -11.999 1.00 0.00 N ATOM 982 CA LYS A 65 1.912 -7.781 -11.424 1.00 0.00 C ATOM 983 C LYS A 65 3.390 -8.108 -11.651 1.00 0.00 C ATOM 984 O LYS A 65 3.739 -9.205 -12.040 1.00 0.00 O ATOM 985 CB LYS A 65 1.047 -8.842 -12.107 1.00 0.00 C ATOM 986 CG LYS A 65 1.194 -8.720 -13.625 1.00 0.00 C ATOM 987 CD LYS A 65 -0.139 -8.278 -14.234 1.00 0.00 C ATOM 988 CE LYS A 65 -0.500 -9.206 -15.395 1.00 0.00 C ATOM 989 NZ LYS A 65 -0.731 -10.583 -14.877 1.00 0.00 N ATOM 0 H LYS A 65 1.825 -6.334 -12.988 1.00 0.00 H new ATOM 0 HA LYS A 65 1.705 -7.771 -10.354 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.348 -9.837 -11.781 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.003 -8.715 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.974 -7.999 -13.869 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.500 -9.676 -14.049 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.923 -8.302 -13.477 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.067 -7.249 -14.585 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.394 -8.842 -15.901 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.303 -9.213 -16.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.450 -11.057 -15.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.157 -11.122 -14.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.061 -10.533 -13.892 1.00 0.00 H new ATOM 1003 N LYS A 66 4.262 -7.168 -11.412 1.00 0.00 N ATOM 1004 CA LYS A 66 5.714 -7.435 -11.615 1.00 0.00 C ATOM 1005 C LYS A 66 6.432 -7.395 -10.265 1.00 0.00 C ATOM 1006 O LYS A 66 6.050 -6.669 -9.369 1.00 0.00 O ATOM 1007 CB LYS A 66 6.309 -6.375 -12.545 1.00 0.00 C ATOM 1008 CG LYS A 66 7.278 -7.043 -13.522 1.00 0.00 C ATOM 1009 CD LYS A 66 8.580 -6.242 -13.579 1.00 0.00 C ATOM 1010 CE LYS A 66 9.341 -6.409 -12.262 1.00 0.00 C ATOM 1011 NZ LYS A 66 10.703 -5.818 -12.398 1.00 0.00 N ATOM 0 H LYS A 66 4.033 -6.229 -11.086 1.00 0.00 H new ATOM 0 HA LYS A 66 5.841 -8.419 -12.066 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.514 -5.869 -13.093 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.829 -5.615 -11.962 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.482 -8.066 -13.206 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.830 -7.099 -14.514 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.194 -6.585 -14.412 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.364 -5.188 -13.755 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.800 -5.920 -11.452 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.415 -7.465 -12.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.221 -5.931 -11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.218 -6.304 -13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.621 -4.806 -12.626 1.00 0.00 H new ATOM 1025 N ASP A 67 7.469 -8.171 -10.115 1.00 0.00 N ATOM 1026 CA ASP A 67 8.214 -8.186 -8.825 1.00 0.00 C ATOM 1027 C ASP A 67 8.556 -6.754 -8.406 1.00 0.00 C ATOM 1028 O ASP A 67 9.523 -6.177 -8.863 1.00 0.00 O ATOM 1029 CB ASP A 67 9.504 -8.990 -8.994 1.00 0.00 C ATOM 1030 CG ASP A 67 9.167 -10.476 -9.117 1.00 0.00 C ATOM 1031 OD1 ASP A 67 8.091 -10.782 -9.604 1.00 0.00 O ATOM 1032 OD2 ASP A 67 9.989 -11.286 -8.718 1.00 0.00 O ATOM 0 H ASP A 67 7.834 -8.797 -10.833 1.00 0.00 H new ATOM 0 HA ASP A 67 7.593 -8.646 -8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.041 -8.654 -9.881 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.162 -8.825 -8.141 1.00 0.00 H new ATOM 1037 N LEU A 68 7.774 -6.178 -7.535 1.00 0.00 N ATOM 1038 CA LEU A 68 8.056 -4.790 -7.081 1.00 0.00 C ATOM 1039 C LEU A 68 7.963 -3.831 -8.268 1.00 0.00 C ATOM 1040 O LEU A 68 8.920 -3.178 -8.630 1.00 0.00 O ATOM 1041 CB LEU A 68 9.458 -4.731 -6.476 1.00 0.00 C ATOM 1042 CG LEU A 68 9.608 -5.851 -5.448 1.00 0.00 C ATOM 1043 CD1 LEU A 68 11.065 -5.938 -4.995 1.00 0.00 C ATOM 1044 CD2 LEU A 68 8.718 -5.553 -4.241 1.00 0.00 C ATOM 0 H LEU A 68 6.950 -6.611 -7.118 1.00 0.00 H new ATOM 0 HA LEU A 68 7.324 -4.497 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.210 -4.836 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.623 -3.763 -6.003 1.00 0.00 H new ATOM 0 HG LEU A 68 9.311 -6.799 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.171 -6.737 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.701 -6.148 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.363 -4.991 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.823 -6.351 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.017 -4.605 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.678 -5.490 -4.562 1.00 0.00 H new ATOM 1056 N CYS A 69 6.812 -3.744 -8.874 1.00 0.00 N ATOM 1057 CA CYS A 69 6.647 -2.828 -10.037 1.00 0.00 C ATOM 1058 C CYS A 69 6.347 -1.414 -9.533 1.00 0.00 C ATOM 1059 O CYS A 69 6.606 -0.436 -10.205 1.00 0.00 O ATOM 1060 CB CYS A 69 5.485 -3.309 -10.910 1.00 0.00 C ATOM 1061 SG CYS A 69 4.038 -3.630 -9.870 1.00 0.00 S ATOM 0 H CYS A 69 5.977 -4.269 -8.614 1.00 0.00 H new ATOM 0 HA CYS A 69 7.565 -2.822 -10.624 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.246 -2.557 -11.662 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.769 -4.215 -11.445 1.00 0.00 H new ATOM 1066 N ASN A 70 5.798 -1.301 -8.355 1.00 0.00 N ATOM 1067 CA ASN A 70 5.475 0.047 -7.808 1.00 0.00 C ATOM 1068 C ASN A 70 6.746 0.707 -7.272 1.00 0.00 C ATOM 1069 O ASN A 70 6.996 0.722 -6.083 1.00 0.00 O ATOM 1070 CB ASN A 70 4.456 -0.096 -6.674 1.00 0.00 C ATOM 1071 CG ASN A 70 4.318 1.240 -5.941 1.00 0.00 C ATOM 1072 OD1 ASN A 70 4.889 2.232 -6.348 1.00 0.00 O ATOM 1073 ND2 ASN A 70 3.578 1.308 -4.869 1.00 0.00 N ATOM 0 H ASN A 70 5.559 -2.084 -7.747 1.00 0.00 H new ATOM 0 HA ASN A 70 5.056 0.667 -8.601 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.491 -0.404 -7.075 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.776 -0.873 -5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.479 2.194 -4.373 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.098 0.475 -4.527 1.00 0.00 H new ATOM 1080 N PHE A 71 7.550 1.259 -8.139 1.00 0.00 N ATOM 1081 CA PHE A 71 8.802 1.925 -7.679 1.00 0.00 C ATOM 1082 C PHE A 71 8.724 3.415 -8.000 1.00 0.00 C ATOM 1083 O PHE A 71 9.720 4.058 -8.268 1.00 0.00 O ATOM 1084 CB PHE A 71 10.002 1.309 -8.399 1.00 0.00 C ATOM 1085 CG PHE A 71 9.620 0.994 -9.825 1.00 0.00 C ATOM 1086 CD1 PHE A 71 9.297 2.031 -10.707 1.00 0.00 C ATOM 1087 CD2 PHE A 71 9.584 -0.335 -10.262 1.00 0.00 C ATOM 1088 CE1 PHE A 71 8.940 1.738 -12.029 1.00 0.00 C ATOM 1089 CE2 PHE A 71 9.228 -0.628 -11.583 1.00 0.00 C ATOM 1090 CZ PHE A 71 8.905 0.409 -12.466 1.00 0.00 C ATOM 0 H PHE A 71 7.394 1.278 -9.147 1.00 0.00 H new ATOM 0 HA PHE A 71 8.917 1.787 -6.604 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.845 1.999 -8.380 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.321 0.401 -7.887 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.323 3.056 -10.369 1.00 0.00 H new ATOM 0 HD2 PHE A 71 9.831 -1.135 -9.579 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.692 2.538 -12.711 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.202 -1.653 -11.921 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.629 0.183 -13.485 1.00 0.00 H new ATOM 1100 N ASN A 72 7.545 3.969 -7.977 1.00 0.00 N ATOM 1101 CA ASN A 72 7.392 5.419 -8.281 1.00 0.00 C ATOM 1102 C ASN A 72 8.135 5.752 -9.576 1.00 0.00 C ATOM 1103 O ASN A 72 9.197 6.343 -9.560 1.00 0.00 O ATOM 1104 CB ASN A 72 7.972 6.247 -7.133 1.00 0.00 C ATOM 1105 CG ASN A 72 6.856 7.062 -6.476 1.00 0.00 C ATOM 1106 OD1 ASN A 72 6.500 6.823 -5.340 1.00 0.00 O ATOM 1107 ND2 ASN A 72 6.286 8.025 -7.150 1.00 0.00 N ATOM 0 H ASN A 72 6.677 3.479 -7.760 1.00 0.00 H new ATOM 0 HA ASN A 72 6.334 5.654 -8.399 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.439 5.592 -6.398 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.750 6.912 -7.507 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.542 8.576 -6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.585 8.226 -8.104 1.00 0.00 H new ATOM 1114 N GLU A 73 7.586 5.380 -10.700 1.00 0.00 N ATOM 1115 CA GLU A 73 8.260 5.678 -11.995 1.00 0.00 C ATOM 1116 C GLU A 73 7.517 4.974 -13.133 1.00 0.00 C ATOM 1117 O GLU A 73 8.119 4.409 -14.024 1.00 0.00 O ATOM 1118 CB GLU A 73 9.704 5.176 -11.943 1.00 0.00 C ATOM 1119 CG GLU A 73 10.646 6.274 -12.446 1.00 0.00 C ATOM 1120 CD GLU A 73 10.865 6.108 -13.951 1.00 0.00 C ATOM 1121 OE1 GLU A 73 9.889 6.152 -14.681 1.00 0.00 O ATOM 1122 OE2 GLU A 73 12.007 5.940 -14.348 1.00 0.00 O ATOM 0 H GLU A 73 6.699 4.882 -10.777 1.00 0.00 H new ATOM 0 HA GLU A 73 8.253 6.754 -12.169 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.966 4.897 -10.923 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.811 4.281 -12.556 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.222 7.256 -12.235 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.599 6.219 -11.921 1.00 0.00 H new ATOM 1129 N GLN A 74 6.212 5.002 -13.110 1.00 0.00 N ATOM 1130 CA GLN A 74 5.435 4.333 -14.192 1.00 0.00 C ATOM 1131 C GLN A 74 4.215 5.185 -14.552 1.00 0.00 C ATOM 1132 O GLN A 74 3.346 4.761 -15.288 1.00 0.00 O ATOM 1133 CB GLN A 74 4.968 2.958 -13.709 1.00 0.00 C ATOM 1134 CG GLN A 74 4.978 1.975 -14.881 1.00 0.00 C ATOM 1135 CD GLN A 74 5.412 0.595 -14.388 1.00 0.00 C ATOM 1136 OE1 GLN A 74 5.361 0.315 -13.207 1.00 0.00 O ATOM 1137 NE2 GLN A 74 5.844 -0.287 -15.249 1.00 0.00 N ATOM 0 H GLN A 74 5.651 5.458 -12.390 1.00 0.00 H new ATOM 0 HA GLN A 74 6.068 4.216 -15.071 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.621 2.599 -12.914 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.965 3.030 -13.289 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.986 1.917 -15.329 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.658 2.326 -15.657 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.887 -0.053 -16.241 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.138 -1.210 -14.930 1.00 0.00 H new ATOM 1146 N LEU A 75 4.141 6.382 -14.038 1.00 0.00 N ATOM 1147 CA LEU A 75 2.974 7.256 -14.353 1.00 0.00 C ATOM 1148 C LEU A 75 3.463 8.574 -14.958 1.00 0.00 C ATOM 1149 O LEU A 75 2.716 9.287 -15.599 1.00 0.00 O ATOM 1150 CB LEU A 75 2.194 7.546 -13.069 1.00 0.00 C ATOM 1151 CG LEU A 75 1.568 6.252 -12.548 1.00 0.00 C ATOM 1152 CD1 LEU A 75 1.419 6.331 -11.028 1.00 0.00 C ATOM 1153 CD2 LEU A 75 0.191 6.061 -13.188 1.00 0.00 C ATOM 0 H LEU A 75 4.836 6.793 -13.415 1.00 0.00 H new ATOM 0 HA LEU A 75 2.327 6.748 -15.069 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.858 7.970 -12.316 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.417 8.286 -13.262 1.00 0.00 H new ATOM 0 HG LEU A 75 2.209 5.409 -12.804 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.973 5.408 -10.658 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.400 6.468 -10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.778 7.174 -10.769 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.257 5.139 -12.818 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.450 6.905 -12.931 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.298 6.003 -14.271 1.00 0.00 H new