USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 803 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 39 GLN :FLIP amide:sc= -0.635 F(o=-0.69,f=0.24) USER MOD Set 1.2: A 61 THR OG1 : rot -77:sc= 0.874 USER MOD Set 2.1: A 15 ASN : amide:sc= -2.11! C(o=-0.5!,f=-3.9!) USER MOD Set 2.2: A 18 ASN : amide:sc= 1.6 K(o=-0.5,f=-2.6) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 68:sc= 1.29 USER MOD Single : A 9 TYR OH : rot -77:sc= 0.219 USER MOD Single : A -1 GLY N :NH3+ 166:sc= 1.28 (180deg=1.23) USER MOD Single : A 10 LYS NZ :NH3+ 150:sc= 0.189 (180deg=-0.0229!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 63:sc= 1.19 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -26:sc= 0.0504 USER MOD Single : A 21 ASN : amide:sc= 0.0973 X(o=0.097,f=0) USER MOD Single : A 30 TYR OH : rot -115:sc= 0.903 USER MOD Single : A 33 CYS SG : rot 133:sc= 1.45 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0773 USER MOD Single : A 45 THR OG1 : rot 79:sc= 0.552 USER MOD Single : A 46 CYS SG : rot -55:sc= 0.0578 USER MOD Single : A 47 THR OG1 : rot -36:sc= 0.56 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 1.05 K(o=1,f=-3.1!) USER MOD Single : A 54 THR OG1 : rot 93:sc= 0.488 USER MOD Single : A 57 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=-0.072) USER MOD Single : A 60 ASN : amide:sc= 0.988 K(o=0.99,f=-4.2!) USER MOD Single : A 63 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.35) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -1:sc= -0.206 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 94 SER OG : rot 74:sc= 1.05 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -5.689 -10.891 -3.145 1.00 0.00 N ATOM 2 CA GLY A -1 -6.481 -11.088 -1.937 1.00 0.00 C ATOM 3 C GLY A -1 -7.596 -12.041 -2.206 1.00 0.00 C ATOM 4 O GLY A -1 -8.039 -12.153 -3.350 1.00 0.00 O ATOM 0 H1 GLY A -1 -5.072 -10.063 -3.024 1.00 0.00 H new ATOM 0 H2 GLY A -1 -5.106 -11.735 -3.319 1.00 0.00 H new ATOM 0 H3 GLY A -1 -6.323 -10.735 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -5.849 -11.472 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -6.882 -10.134 -1.596 1.00 0.00 H new ATOM 10 N SER A 0 -8.034 -12.751 -1.190 1.00 0.00 N ATOM 11 CA SER A 0 -9.127 -13.681 -1.319 1.00 0.00 C ATOM 12 C SER A 0 -10.441 -12.903 -1.493 1.00 0.00 C ATOM 13 O SER A 0 -10.952 -12.305 -0.533 1.00 0.00 O ATOM 14 CB SER A 0 -9.160 -14.568 -0.083 1.00 0.00 C ATOM 15 OG SER A 0 -7.870 -15.146 0.135 1.00 0.00 O ATOM 0 H SER A 0 -7.640 -12.698 -0.251 1.00 0.00 H new ATOM 0 HA SER A 0 -8.996 -14.314 -2.197 1.00 0.00 H new ATOM 0 HB2 SER A 0 -9.458 -13.983 0.787 1.00 0.00 H new ATOM 0 HB3 SER A 0 -9.904 -15.354 -0.209 1.00 0.00 H new ATOM 0 HG SER A 0 -7.897 -15.714 0.933 1.00 0.00 H new ATOM 21 N MET A 1 -10.931 -12.883 -2.734 1.00 0.00 N ATOM 22 CA MET A 1 -12.115 -12.122 -3.152 1.00 0.00 C ATOM 23 C MET A 1 -11.943 -10.634 -2.878 1.00 0.00 C ATOM 24 O MET A 1 -12.451 -10.111 -1.880 1.00 0.00 O ATOM 25 CB MET A 1 -13.435 -12.642 -2.555 1.00 0.00 C ATOM 26 CG MET A 1 -13.822 -14.038 -3.002 1.00 0.00 C ATOM 27 SD MET A 1 -15.428 -14.553 -2.358 1.00 0.00 S ATOM 28 CE MET A 1 -15.511 -16.226 -3.005 1.00 0.00 C ATOM 0 H MET A 1 -10.506 -13.409 -3.498 1.00 0.00 H new ATOM 0 HA MET A 1 -12.193 -12.275 -4.228 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.356 -12.631 -1.468 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.236 -11.953 -2.823 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.843 -14.074 -4.091 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.060 -14.745 -2.674 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.448 -16.689 -2.696 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.461 -16.198 -4.093 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.674 -16.808 -2.618 1.00 0.00 H new ATOM 38 N PRO A 2 -11.167 -9.945 -3.716 1.00 0.00 N ATOM 39 CA PRO A 2 -10.924 -8.537 -3.550 1.00 0.00 C ATOM 40 C PRO A 2 -11.975 -7.700 -4.272 1.00 0.00 C ATOM 41 O PRO A 2 -12.259 -7.909 -5.462 1.00 0.00 O ATOM 42 CB PRO A 2 -9.538 -8.355 -4.176 1.00 0.00 C ATOM 43 CG PRO A 2 -9.446 -9.410 -5.242 1.00 0.00 C ATOM 44 CD PRO A 2 -10.454 -10.485 -4.896 1.00 0.00 C ATOM 0 HA PRO A 2 -10.973 -8.213 -2.511 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.425 -7.357 -4.599 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.751 -8.477 -3.432 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.658 -8.985 -6.223 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.439 -9.826 -5.286 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.138 -10.672 -5.724 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.965 -11.432 -4.667 1.00 0.00 H new ATOM 52 N PHE A 3 -12.578 -6.789 -3.565 1.00 0.00 N ATOM 53 CA PHE A 3 -13.567 -5.941 -4.170 1.00 0.00 C ATOM 54 C PHE A 3 -13.109 -4.505 -4.101 1.00 0.00 C ATOM 55 O PHE A 3 -12.620 -3.943 -5.081 1.00 0.00 O ATOM 56 CB PHE A 3 -14.942 -6.121 -3.496 1.00 0.00 C ATOM 57 CG PHE A 3 -16.051 -5.319 -4.136 1.00 0.00 C ATOM 58 CD1 PHE A 3 -16.621 -5.730 -5.329 1.00 0.00 C ATOM 59 CD2 PHE A 3 -16.523 -4.157 -3.541 1.00 0.00 C ATOM 60 CE1 PHE A 3 -17.636 -5.001 -5.916 1.00 0.00 C ATOM 61 CE2 PHE A 3 -17.536 -3.426 -4.125 1.00 0.00 C ATOM 62 CZ PHE A 3 -18.092 -3.849 -5.315 1.00 0.00 C ATOM 0 H PHE A 3 -12.405 -6.614 -2.575 1.00 0.00 H new ATOM 0 HA PHE A 3 -13.683 -6.224 -5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -15.211 -7.177 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.861 -5.836 -2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -16.267 -6.632 -5.806 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -16.092 -3.821 -2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -18.072 -5.334 -6.846 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -17.894 -2.524 -3.652 1.00 0.00 H new ATOM 0 HZ PHE A 3 -18.884 -3.277 -5.775 1.00 0.00 H new ATOM 72 N ALA A 4 -13.169 -3.943 -2.919 1.00 0.00 N ATOM 73 CA ALA A 4 -12.827 -2.562 -2.727 1.00 0.00 C ATOM 74 C ALA A 4 -11.322 -2.405 -2.664 1.00 0.00 C ATOM 75 O ALA A 4 -10.780 -1.363 -3.015 1.00 0.00 O ATOM 76 CB ALA A 4 -13.498 -2.027 -1.484 1.00 0.00 C ATOM 0 H ALA A 4 -13.455 -4.430 -2.069 1.00 0.00 H new ATOM 0 HA ALA A 4 -13.188 -1.978 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -13.231 -0.979 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.579 -2.116 -1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -13.168 -2.600 -0.617 1.00 0.00 H new ATOM 82 N GLU A 5 -10.656 -3.469 -2.259 1.00 0.00 N ATOM 83 CA GLU A 5 -9.207 -3.512 -2.176 1.00 0.00 C ATOM 84 C GLU A 5 -8.635 -3.426 -3.580 1.00 0.00 C ATOM 85 O GLU A 5 -7.640 -2.749 -3.821 1.00 0.00 O ATOM 86 CB GLU A 5 -8.703 -4.821 -1.518 1.00 0.00 C ATOM 87 CG GLU A 5 -9.463 -5.280 -0.274 1.00 0.00 C ATOM 88 CD GLU A 5 -10.716 -6.075 -0.612 1.00 0.00 C ATOM 89 OE1 GLU A 5 -11.754 -5.469 -0.965 1.00 0.00 O ATOM 90 OE2 GLU A 5 -10.691 -7.302 -0.528 1.00 0.00 O ATOM 0 H GLU A 5 -11.109 -4.337 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.880 -2.674 -1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.746 -5.618 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.654 -4.690 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.805 -5.891 0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.739 -4.409 0.320 1.00 0.00 H new ATOM 97 N ASP A 6 -9.312 -4.095 -4.508 1.00 0.00 N ATOM 98 CA ASP A 6 -8.905 -4.125 -5.915 1.00 0.00 C ATOM 99 C ASP A 6 -9.089 -2.753 -6.519 1.00 0.00 C ATOM 100 O ASP A 6 -8.195 -2.226 -7.197 1.00 0.00 O ATOM 101 CB ASP A 6 -9.738 -5.141 -6.699 1.00 0.00 C ATOM 102 CG ASP A 6 -9.324 -5.239 -8.152 1.00 0.00 C ATOM 103 OD1 ASP A 6 -9.778 -4.436 -8.980 1.00 0.00 O ATOM 104 OD2 ASP A 6 -8.536 -6.137 -8.495 1.00 0.00 O ATOM 0 H ASP A 6 -10.157 -4.631 -4.310 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.857 -4.419 -5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.643 -6.121 -6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.790 -4.862 -6.643 1.00 0.00 H new ATOM 109 N LYS A 7 -10.247 -2.165 -6.229 1.00 0.00 N ATOM 110 CA LYS A 7 -10.582 -0.826 -6.686 1.00 0.00 C ATOM 111 C LYS A 7 -9.560 0.178 -6.171 1.00 0.00 C ATOM 112 O LYS A 7 -9.136 1.078 -6.906 1.00 0.00 O ATOM 113 CB LYS A 7 -11.990 -0.432 -6.217 1.00 0.00 C ATOM 114 CG LYS A 7 -13.115 -1.338 -6.729 1.00 0.00 C ATOM 115 CD LYS A 7 -13.273 -1.289 -8.248 1.00 0.00 C ATOM 116 CE LYS A 7 -13.754 0.075 -8.719 1.00 0.00 C ATOM 117 NZ LYS A 7 -13.905 0.150 -10.185 1.00 0.00 N ATOM 0 H LYS A 7 -10.977 -2.607 -5.670 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.565 -0.820 -7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.008 -0.434 -5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.192 0.590 -6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.916 -2.365 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.054 -1.042 -6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.319 -1.522 -8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.981 -2.054 -8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.710 0.301 -8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.048 0.838 -8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.235 1.100 -10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.988 -0.038 -10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.599 -0.558 -10.499 1.00 0.00 H new ATOM 131 N THR A 8 -9.153 -0.002 -4.922 1.00 0.00 N ATOM 132 CA THR A 8 -8.157 0.840 -4.310 1.00 0.00 C ATOM 133 C THR A 8 -6.788 0.631 -4.987 1.00 0.00 C ATOM 134 O THR A 8 -6.125 1.598 -5.344 1.00 0.00 O ATOM 135 CB THR A 8 -8.069 0.578 -2.783 1.00 0.00 C ATOM 136 OG1 THR A 8 -9.369 0.778 -2.199 1.00 0.00 O ATOM 137 CG2 THR A 8 -7.074 1.522 -2.115 1.00 0.00 C ATOM 0 H THR A 8 -9.509 -0.738 -4.312 1.00 0.00 H new ATOM 0 HA THR A 8 -8.453 1.879 -4.450 1.00 0.00 H new ATOM 0 HB THR A 8 -7.729 -0.446 -2.628 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.980 0.079 -2.513 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.036 1.313 -1.046 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.085 1.375 -2.549 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.389 2.553 -2.272 1.00 0.00 H new ATOM 145 N TYR A 9 -6.408 -0.632 -5.210 1.00 0.00 N ATOM 146 CA TYR A 9 -5.146 -0.968 -5.877 1.00 0.00 C ATOM 147 C TYR A 9 -5.037 -0.265 -7.228 1.00 0.00 C ATOM 148 O TYR A 9 -4.048 0.426 -7.498 1.00 0.00 O ATOM 149 CB TYR A 9 -4.997 -2.500 -6.043 1.00 0.00 C ATOM 150 CG TYR A 9 -3.810 -2.931 -6.901 1.00 0.00 C ATOM 151 CD1 TYR A 9 -2.503 -2.866 -6.422 1.00 0.00 C ATOM 152 CD2 TYR A 9 -4.005 -3.397 -8.198 1.00 0.00 C ATOM 153 CE1 TYR A 9 -1.432 -3.251 -7.217 1.00 0.00 C ATOM 154 CE2 TYR A 9 -2.944 -3.783 -8.991 1.00 0.00 C ATOM 155 CZ TYR A 9 -1.661 -3.708 -8.500 1.00 0.00 C ATOM 156 OH TYR A 9 -0.600 -4.088 -9.301 1.00 0.00 O ATOM 0 H TYR A 9 -6.962 -1.444 -4.936 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.331 -0.615 -5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.899 -2.952 -5.056 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.911 -2.896 -6.485 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.321 -2.511 -5.418 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.009 -3.458 -8.592 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.424 -3.193 -6.834 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.120 -4.143 -9.994 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.150 -3.290 -9.648 1.00 0.00 H new ATOM 166 N LYS A 10 -6.066 -0.405 -8.048 1.00 0.00 N ATOM 167 CA LYS A 10 -6.084 0.209 -9.369 1.00 0.00 C ATOM 168 C LYS A 10 -6.094 1.733 -9.280 1.00 0.00 C ATOM 169 O LYS A 10 -5.476 2.416 -10.098 1.00 0.00 O ATOM 170 CB LYS A 10 -7.260 -0.301 -10.206 1.00 0.00 C ATOM 171 CG LYS A 10 -7.137 -1.764 -10.621 1.00 0.00 C ATOM 172 CD LYS A 10 -8.350 -2.214 -11.421 1.00 0.00 C ATOM 173 CE LYS A 10 -8.185 -3.630 -11.968 1.00 0.00 C ATOM 174 NZ LYS A 10 -7.938 -4.627 -10.906 1.00 0.00 N ATOM 0 H LYS A 10 -6.904 -0.941 -7.822 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.164 -0.085 -9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.181 -0.171 -9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.349 0.314 -11.102 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.234 -1.901 -11.217 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.031 -2.388 -9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.237 -2.171 -10.789 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.515 -1.523 -12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.083 -3.908 -12.520 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.357 -3.647 -12.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.323 -5.548 -11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.915 -4.715 -10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.403 -4.321 -10.027 1.00 0.00 H new ATOM 188 N TYR A 11 -6.735 2.254 -8.249 1.00 0.00 N ATOM 189 CA TYR A 11 -6.836 3.691 -8.044 1.00 0.00 C ATOM 190 C TYR A 11 -5.455 4.249 -7.755 1.00 0.00 C ATOM 191 O TYR A 11 -5.061 5.304 -8.259 1.00 0.00 O ATOM 192 CB TYR A 11 -7.730 3.983 -6.847 1.00 0.00 C ATOM 193 CG TYR A 11 -8.336 5.362 -6.848 1.00 0.00 C ATOM 194 CD1 TYR A 11 -7.638 6.464 -6.373 1.00 0.00 C ATOM 195 CD2 TYR A 11 -9.623 5.555 -7.315 1.00 0.00 C ATOM 196 CE1 TYR A 11 -8.212 7.719 -6.367 1.00 0.00 C ATOM 197 CE2 TYR A 11 -10.197 6.797 -7.315 1.00 0.00 C ATOM 198 CZ TYR A 11 -9.495 7.877 -6.841 1.00 0.00 C ATOM 199 OH TYR A 11 -10.079 9.121 -6.837 1.00 0.00 O ATOM 0 H TYR A 11 -7.199 1.697 -7.532 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.256 4.149 -8.939 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.533 3.246 -6.819 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.148 3.855 -5.934 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.631 6.337 -6.003 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.185 4.711 -7.686 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.660 8.569 -5.994 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.202 6.928 -7.688 1.00 0.00 H new ATOM 0 HH TYR A 11 -10.985 9.058 -7.206 1.00 0.00 H new ATOM 209 N ILE A 12 -4.726 3.527 -6.952 1.00 0.00 N ATOM 210 CA ILE A 12 -3.403 3.916 -6.548 1.00 0.00 C ATOM 211 C ILE A 12 -2.416 3.746 -7.705 1.00 0.00 C ATOM 212 O ILE A 12 -1.488 4.513 -7.832 1.00 0.00 O ATOM 213 CB ILE A 12 -2.964 3.141 -5.272 1.00 0.00 C ATOM 214 CG1 ILE A 12 -3.976 3.387 -4.124 1.00 0.00 C ATOM 215 CG2 ILE A 12 -1.555 3.515 -4.833 1.00 0.00 C ATOM 216 CD1 ILE A 12 -4.117 4.838 -3.689 1.00 0.00 C ATOM 0 H ILE A 12 -5.037 2.641 -6.554 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.411 4.974 -6.287 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.953 2.079 -5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.954 3.021 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.675 2.793 -3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.290 2.950 -3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.851 3.281 -5.632 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.513 4.582 -4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.847 4.907 -2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.153 5.208 -3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.452 5.440 -4.534 1.00 0.00 H new ATOM 228 N CYS A 13 -2.672 2.778 -8.582 1.00 0.00 N ATOM 229 CA CYS A 13 -1.847 2.592 -9.783 1.00 0.00 C ATOM 230 C CYS A 13 -1.984 3.808 -10.706 1.00 0.00 C ATOM 231 O CYS A 13 -1.053 4.166 -11.420 1.00 0.00 O ATOM 232 CB CYS A 13 -2.244 1.319 -10.537 1.00 0.00 C ATOM 233 SG CYS A 13 -2.067 -0.203 -9.580 1.00 0.00 S ATOM 0 H CYS A 13 -3.439 2.112 -8.489 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.809 2.491 -9.467 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.281 1.412 -10.860 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.635 1.240 -11.438 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.871 -0.170 -8.559 1.00 0.00 H new ATOM 239 N ARG A 14 -3.154 4.452 -10.649 1.00 0.00 N ATOM 240 CA ARG A 14 -3.431 5.650 -11.441 1.00 0.00 C ATOM 241 C ARG A 14 -2.539 6.794 -11.007 1.00 0.00 C ATOM 242 O ARG A 14 -2.117 7.602 -11.813 1.00 0.00 O ATOM 243 CB ARG A 14 -4.870 6.128 -11.246 1.00 0.00 C ATOM 244 CG ARG A 14 -5.961 5.170 -11.653 1.00 0.00 C ATOM 245 CD ARG A 14 -7.336 5.758 -11.332 1.00 0.00 C ATOM 246 NE ARG A 14 -7.539 7.089 -11.945 1.00 0.00 N ATOM 247 CZ ARG A 14 -8.711 7.748 -12.034 1.00 0.00 C ATOM 248 NH1 ARG A 14 -9.843 7.182 -11.626 1.00 0.00 N ATOM 249 NH2 ARG A 14 -8.741 8.966 -12.562 1.00 0.00 N ATOM 0 H ARG A 14 -3.930 4.158 -10.056 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.254 5.379 -12.482 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.008 6.373 -10.193 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.001 7.052 -11.809 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.889 4.959 -12.720 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.834 4.221 -11.131 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.110 5.077 -11.685 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.450 5.838 -10.251 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.717 7.550 -12.336 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.831 6.238 -11.240 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.723 7.692 -11.699 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.880 9.398 -12.898 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.625 9.470 -12.632 1.00 0.00 H new ATOM 263 N ASN A 15 -2.244 6.842 -9.733 1.00 0.00 N ATOM 264 CA ASN A 15 -1.534 7.971 -9.166 1.00 0.00 C ATOM 265 C ASN A 15 -0.255 7.476 -8.499 1.00 0.00 C ATOM 266 O ASN A 15 0.271 8.059 -7.572 1.00 0.00 O ATOM 267 CB ASN A 15 -2.482 8.727 -8.201 1.00 0.00 C ATOM 268 CG ASN A 15 -2.657 8.103 -6.840 1.00 0.00 C ATOM 269 OD1 ASN A 15 -2.038 8.521 -5.873 1.00 0.00 O ATOM 270 ND2 ASN A 15 -3.495 7.112 -6.745 1.00 0.00 N ATOM 0 H ASN A 15 -2.484 6.112 -9.062 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.231 8.680 -9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.105 9.741 -8.070 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.461 8.809 -8.672 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.651 6.660 -5.844 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.996 6.787 -7.572 1.00 0.00 H new ATOM 277 N PHE A 16 0.250 6.405 -9.055 1.00 0.00 N ATOM 278 CA PHE A 16 1.488 5.744 -8.625 1.00 0.00 C ATOM 279 C PHE A 16 2.674 6.732 -8.599 1.00 0.00 C ATOM 280 O PHE A 16 3.559 6.630 -7.751 1.00 0.00 O ATOM 281 CB PHE A 16 1.783 4.569 -9.577 1.00 0.00 C ATOM 282 CG PHE A 16 2.938 3.685 -9.180 1.00 0.00 C ATOM 283 CD1 PHE A 16 2.750 2.649 -8.281 1.00 0.00 C ATOM 284 CD2 PHE A 16 4.202 3.874 -9.723 1.00 0.00 C ATOM 285 CE1 PHE A 16 3.796 1.821 -7.927 1.00 0.00 C ATOM 286 CE2 PHE A 16 5.253 3.050 -9.370 1.00 0.00 C ATOM 287 CZ PHE A 16 5.050 2.021 -8.471 1.00 0.00 C ATOM 0 H PHE A 16 -0.193 5.941 -9.848 1.00 0.00 H new ATOM 0 HA PHE A 16 1.356 5.372 -7.609 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.887 3.953 -9.654 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.981 4.970 -10.571 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.773 2.487 -7.851 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.365 4.674 -10.429 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.634 1.017 -7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.232 3.210 -9.796 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.870 1.374 -8.194 1.00 0.00 H new ATOM 297 N SER A 17 2.662 7.700 -9.505 1.00 0.00 N ATOM 298 CA SER A 17 3.717 8.694 -9.578 1.00 0.00 C ATOM 299 C SER A 17 3.652 9.638 -8.355 1.00 0.00 C ATOM 300 O SER A 17 4.686 10.081 -7.832 1.00 0.00 O ATOM 301 CB SER A 17 3.622 9.471 -10.898 1.00 0.00 C ATOM 302 OG SER A 17 4.719 10.356 -11.072 1.00 0.00 O ATOM 0 H SER A 17 1.927 7.816 -10.203 1.00 0.00 H new ATOM 0 HA SER A 17 4.684 8.191 -9.556 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.587 8.769 -11.731 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.691 10.038 -10.919 1.00 0.00 H new ATOM 0 HG SER A 17 4.624 10.831 -11.924 1.00 0.00 H new ATOM 308 N ASN A 18 2.442 9.908 -7.893 1.00 0.00 N ATOM 309 CA ASN A 18 2.191 10.706 -6.687 1.00 0.00 C ATOM 310 C ASN A 18 2.853 10.024 -5.496 1.00 0.00 C ATOM 311 O ASN A 18 3.527 10.664 -4.677 1.00 0.00 O ATOM 312 CB ASN A 18 0.676 10.798 -6.452 1.00 0.00 C ATOM 313 CG ASN A 18 0.271 11.476 -5.164 1.00 0.00 C ATOM 314 OD1 ASN A 18 0.922 12.414 -4.695 1.00 0.00 O ATOM 315 ND2 ASN A 18 -0.783 10.976 -4.565 1.00 0.00 N ATOM 0 H ASN A 18 1.590 9.578 -8.346 1.00 0.00 H new ATOM 0 HA ASN A 18 2.601 11.709 -6.809 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.226 11.337 -7.286 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.260 9.791 -6.461 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.095 11.363 -3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.291 10.200 -4.990 1.00 0.00 H new ATOM 322 N PHE A 19 2.728 8.710 -5.466 1.00 0.00 N ATOM 323 CA PHE A 19 3.293 7.889 -4.415 1.00 0.00 C ATOM 324 C PHE A 19 4.799 7.708 -4.519 1.00 0.00 C ATOM 325 O PHE A 19 5.374 7.037 -3.707 1.00 0.00 O ATOM 326 CB PHE A 19 2.596 6.528 -4.314 1.00 0.00 C ATOM 327 CG PHE A 19 1.317 6.562 -3.542 1.00 0.00 C ATOM 328 CD1 PHE A 19 0.141 6.972 -4.128 1.00 0.00 C ATOM 329 CD2 PHE A 19 1.303 6.180 -2.210 1.00 0.00 C ATOM 330 CE1 PHE A 19 -1.030 7.008 -3.401 1.00 0.00 C ATOM 331 CE2 PHE A 19 0.136 6.210 -1.480 1.00 0.00 C ATOM 332 CZ PHE A 19 -1.032 6.626 -2.079 1.00 0.00 C ATOM 0 H PHE A 19 2.226 8.179 -6.178 1.00 0.00 H new ATOM 0 HA PHE A 19 3.109 8.445 -3.496 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.393 6.158 -5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.275 5.816 -3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.135 7.268 -5.167 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.219 5.855 -1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.946 7.336 -3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.137 5.909 -0.443 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.950 6.652 -1.511 1.00 0.00 H new ATOM 342 N CYS A 20 5.448 8.326 -5.494 1.00 0.00 N ATOM 343 CA CYS A 20 6.903 8.233 -5.578 1.00 0.00 C ATOM 344 C CYS A 20 7.533 8.997 -4.405 1.00 0.00 C ATOM 345 O CYS A 20 8.668 8.740 -4.003 1.00 0.00 O ATOM 346 CB CYS A 20 7.419 8.763 -6.921 1.00 0.00 C ATOM 347 SG CYS A 20 9.208 8.629 -7.143 1.00 0.00 S ATOM 0 H CYS A 20 5.006 8.885 -6.224 1.00 0.00 H new ATOM 0 HA CYS A 20 7.191 7.184 -5.515 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.924 8.220 -7.726 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.131 9.810 -7.019 1.00 0.00 H new ATOM 0 HG CYS A 20 9.791 8.637 -5.981 1.00 0.00 H new ATOM 353 N ASN A 21 6.758 9.893 -3.831 1.00 0.00 N ATOM 354 CA ASN A 21 7.163 10.655 -2.689 1.00 0.00 C ATOM 355 C ASN A 21 6.553 10.006 -1.469 1.00 0.00 C ATOM 356 O ASN A 21 5.599 10.504 -0.874 1.00 0.00 O ATOM 357 CB ASN A 21 6.721 12.118 -2.812 1.00 0.00 C ATOM 358 CG ASN A 21 7.318 12.984 -1.720 1.00 0.00 C ATOM 359 OD1 ASN A 21 8.401 13.552 -1.877 1.00 0.00 O ATOM 360 ND2 ASN A 21 6.637 13.105 -0.634 1.00 0.00 N ATOM 0 H ASN A 21 5.816 10.109 -4.157 1.00 0.00 H new ATOM 0 HA ASN A 21 8.250 10.664 -2.611 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.018 12.506 -3.786 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.633 12.174 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.990 13.684 0.128 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.744 12.622 -0.535 1.00 0.00 H new ATOM 367 N VAL A 22 7.023 8.830 -1.188 1.00 0.00 N ATOM 368 CA VAL A 22 6.561 8.070 -0.052 1.00 0.00 C ATOM 369 C VAL A 22 7.768 7.471 0.676 1.00 0.00 C ATOM 370 O VAL A 22 8.842 7.341 0.091 1.00 0.00 O ATOM 371 CB VAL A 22 5.578 6.922 -0.490 1.00 0.00 C ATOM 372 CG1 VAL A 22 6.290 5.778 -1.135 1.00 0.00 C ATOM 373 CG2 VAL A 22 4.705 6.443 0.641 1.00 0.00 C ATOM 0 H VAL A 22 7.742 8.362 -1.739 1.00 0.00 H new ATOM 0 HA VAL A 22 6.016 8.739 0.613 1.00 0.00 H new ATOM 0 HB VAL A 22 4.923 7.366 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.567 5.013 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.814 6.130 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.009 5.355 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.047 5.651 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.331 6.058 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.105 7.273 1.014 1.00 0.00 H new ATOM 383 N ASP A 23 7.584 7.123 1.925 1.00 0.00 N ATOM 384 CA ASP A 23 8.618 6.499 2.725 1.00 0.00 C ATOM 385 C ASP A 23 8.243 5.048 2.881 1.00 0.00 C ATOM 386 O ASP A 23 7.374 4.717 3.670 1.00 0.00 O ATOM 387 CB ASP A 23 8.709 7.134 4.113 1.00 0.00 C ATOM 388 CG ASP A 23 9.971 6.732 4.852 1.00 0.00 C ATOM 389 OD1 ASP A 23 10.211 5.525 5.073 1.00 0.00 O ATOM 390 OD2 ASP A 23 10.782 7.631 5.174 1.00 0.00 O ATOM 0 H ASP A 23 6.705 7.265 2.423 1.00 0.00 H new ATOM 0 HA ASP A 23 9.583 6.624 2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.679 8.219 4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.839 6.842 4.701 1.00 0.00 H new ATOM 395 N VAL A 24 8.869 4.203 2.120 1.00 0.00 N ATOM 396 CA VAL A 24 8.502 2.796 2.076 1.00 0.00 C ATOM 397 C VAL A 24 8.974 2.034 3.319 1.00 0.00 C ATOM 398 O VAL A 24 8.257 1.185 3.844 1.00 0.00 O ATOM 399 CB VAL A 24 9.079 2.116 0.807 1.00 0.00 C ATOM 400 CG1 VAL A 24 8.531 0.714 0.636 1.00 0.00 C ATOM 401 CG2 VAL A 24 8.778 2.939 -0.420 1.00 0.00 C ATOM 0 H VAL A 24 9.647 4.454 1.510 1.00 0.00 H new ATOM 0 HA VAL A 24 7.413 2.759 2.049 1.00 0.00 H new ATOM 0 HB VAL A 24 10.160 2.048 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.955 0.265 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.798 0.111 1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.446 0.756 0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.191 2.445 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.699 3.041 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.226 3.927 -0.314 1.00 0.00 H new ATOM 411 N VAL A 25 10.146 2.375 3.817 1.00 0.00 N ATOM 412 CA VAL A 25 10.738 1.615 4.915 1.00 0.00 C ATOM 413 C VAL A 25 10.048 1.861 6.236 1.00 0.00 C ATOM 414 O VAL A 25 10.030 0.992 7.108 1.00 0.00 O ATOM 415 CB VAL A 25 12.262 1.818 5.063 1.00 0.00 C ATOM 416 CG1 VAL A 25 12.982 1.488 3.769 1.00 0.00 C ATOM 417 CG2 VAL A 25 12.642 3.209 5.585 1.00 0.00 C ATOM 0 H VAL A 25 10.706 3.162 3.489 1.00 0.00 H new ATOM 0 HA VAL A 25 10.579 0.574 4.635 1.00 0.00 H new ATOM 0 HB VAL A 25 12.594 1.116 5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.053 1.639 3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.792 0.448 3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.618 2.139 2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.726 3.284 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.276 3.969 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.194 3.364 6.567 1.00 0.00 H new ATOM 427 N GLU A 26 9.503 3.035 6.396 1.00 0.00 N ATOM 428 CA GLU A 26 8.794 3.363 7.607 1.00 0.00 C ATOM 429 C GLU A 26 7.418 2.693 7.616 1.00 0.00 C ATOM 430 O GLU A 26 6.878 2.400 8.659 1.00 0.00 O ATOM 431 CB GLU A 26 8.649 4.865 7.761 1.00 0.00 C ATOM 432 CG GLU A 26 8.580 5.302 9.203 1.00 0.00 C ATOM 433 CD GLU A 26 9.876 5.011 9.918 1.00 0.00 C ATOM 434 OE1 GLU A 26 10.780 5.869 9.885 1.00 0.00 O ATOM 435 OE2 GLU A 26 10.028 3.917 10.503 1.00 0.00 O ATOM 0 H GLU A 26 9.535 3.783 5.704 1.00 0.00 H new ATOM 0 HA GLU A 26 9.373 2.989 8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.492 5.358 7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.748 5.193 7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.364 6.369 9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.760 4.787 9.704 1.00 0.00 H new ATOM 442 N ILE A 27 6.892 2.430 6.438 1.00 0.00 N ATOM 443 CA ILE A 27 5.592 1.771 6.264 1.00 0.00 C ATOM 444 C ILE A 27 5.649 0.309 6.730 1.00 0.00 C ATOM 445 O ILE A 27 4.711 -0.191 7.333 1.00 0.00 O ATOM 446 CB ILE A 27 5.153 1.864 4.758 1.00 0.00 C ATOM 447 CG1 ILE A 27 4.755 3.301 4.403 1.00 0.00 C ATOM 448 CG2 ILE A 27 4.052 0.876 4.386 1.00 0.00 C ATOM 449 CD1 ILE A 27 4.432 3.510 2.938 1.00 0.00 C ATOM 0 H ILE A 27 7.351 2.666 5.558 1.00 0.00 H new ATOM 0 HA ILE A 27 4.852 2.281 6.881 1.00 0.00 H new ATOM 0 HB ILE A 27 6.020 1.579 4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.887 3.584 4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.567 3.971 4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.797 0.994 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.401 -0.141 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.170 1.068 4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.160 4.552 2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.304 3.261 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.599 2.868 2.654 1.00 0.00 H new ATOM 461 N LEU A 28 6.780 -0.319 6.515 1.00 0.00 N ATOM 462 CA LEU A 28 6.979 -1.750 6.804 1.00 0.00 C ATOM 463 C LEU A 28 6.553 -2.184 8.250 1.00 0.00 C ATOM 464 O LEU A 28 5.758 -3.112 8.390 1.00 0.00 O ATOM 465 CB LEU A 28 8.427 -2.159 6.499 1.00 0.00 C ATOM 466 CG LEU A 28 8.936 -1.805 5.101 1.00 0.00 C ATOM 467 CD1 LEU A 28 10.381 -2.221 4.937 1.00 0.00 C ATOM 468 CD2 LEU A 28 8.070 -2.436 4.028 1.00 0.00 C ATOM 0 H LEU A 28 7.607 0.139 6.131 1.00 0.00 H new ATOM 0 HA LEU A 28 6.303 -2.289 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.080 -1.688 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.517 -3.237 6.636 1.00 0.00 H new ATOM 0 HG LEU A 28 8.876 -0.723 4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.723 -1.960 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.994 -1.705 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.468 -3.298 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.456 -2.167 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.085 -3.520 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.046 -2.075 4.128 1.00 0.00 H new ATOM 480 N PRO A 29 7.046 -1.532 9.357 1.00 0.00 N ATOM 481 CA PRO A 29 6.636 -1.905 10.733 1.00 0.00 C ATOM 482 C PRO A 29 5.197 -1.462 11.071 1.00 0.00 C ATOM 483 O PRO A 29 4.678 -1.741 12.158 1.00 0.00 O ATOM 484 CB PRO A 29 7.640 -1.161 11.618 1.00 0.00 C ATOM 485 CG PRO A 29 8.033 0.022 10.812 1.00 0.00 C ATOM 486 CD PRO A 29 8.056 -0.443 9.382 1.00 0.00 C ATOM 0 HA PRO A 29 6.637 -2.986 10.871 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.191 -0.865 12.566 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.502 -1.786 11.854 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.324 0.839 10.946 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.011 0.395 11.117 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.796 0.361 8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.043 -0.804 9.093 1.00 0.00 H new ATOM 494 N TYR A 30 4.571 -0.773 10.151 1.00 0.00 N ATOM 495 CA TYR A 30 3.214 -0.325 10.321 1.00 0.00 C ATOM 496 C TYR A 30 2.221 -1.327 9.754 1.00 0.00 C ATOM 497 O TYR A 30 1.023 -1.263 10.039 1.00 0.00 O ATOM 498 CB TYR A 30 3.024 1.070 9.725 1.00 0.00 C ATOM 499 CG TYR A 30 3.449 2.187 10.649 1.00 0.00 C ATOM 500 CD1 TYR A 30 2.619 2.606 11.670 1.00 0.00 C ATOM 501 CD2 TYR A 30 4.671 2.809 10.509 1.00 0.00 C ATOM 502 CE1 TYR A 30 2.998 3.618 12.525 1.00 0.00 C ATOM 503 CE2 TYR A 30 5.065 3.823 11.359 1.00 0.00 C ATOM 504 CZ TYR A 30 4.224 4.223 12.366 1.00 0.00 C ATOM 505 OH TYR A 30 4.609 5.237 13.223 1.00 0.00 O ATOM 0 H TYR A 30 4.990 -0.507 9.260 1.00 0.00 H new ATOM 0 HA TYR A 30 3.013 -0.255 11.390 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.593 1.140 8.798 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.974 1.205 9.465 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.657 2.133 11.801 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.335 2.496 9.717 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.336 3.935 13.317 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.027 4.297 11.232 1.00 0.00 H new ATOM 0 HH TYR A 30 4.693 6.075 12.722 1.00 0.00 H new ATOM 515 N LEU A 31 2.717 -2.251 8.962 1.00 0.00 N ATOM 516 CA LEU A 31 1.906 -3.299 8.384 1.00 0.00 C ATOM 517 C LEU A 31 2.260 -4.645 9.024 1.00 0.00 C ATOM 518 O LEU A 31 3.177 -5.335 8.584 1.00 0.00 O ATOM 519 CB LEU A 31 2.080 -3.363 6.852 1.00 0.00 C ATOM 520 CG LEU A 31 1.410 -2.257 5.989 1.00 0.00 C ATOM 521 CD1 LEU A 31 1.832 -0.877 6.381 1.00 0.00 C ATOM 522 CD2 LEU A 31 1.713 -2.481 4.533 1.00 0.00 C ATOM 0 H LEU A 31 3.701 -2.297 8.699 1.00 0.00 H new ATOM 0 HA LEU A 31 0.859 -3.073 8.587 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.149 -3.351 6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.698 -4.326 6.514 1.00 0.00 H new ATOM 0 HG LEU A 31 0.337 -2.330 6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.331 -0.148 5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.561 -0.695 7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.911 -0.780 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.239 -1.700 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.791 -2.451 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.329 -3.454 4.227 1.00 0.00 H new ATOM 534 N PRO A 32 1.550 -5.033 10.089 1.00 0.00 N ATOM 535 CA PRO A 32 1.858 -6.244 10.847 1.00 0.00 C ATOM 536 C PRO A 32 1.152 -7.501 10.314 1.00 0.00 C ATOM 537 O PRO A 32 1.226 -8.576 10.918 1.00 0.00 O ATOM 538 CB PRO A 32 1.340 -5.883 12.231 1.00 0.00 C ATOM 539 CG PRO A 32 0.138 -5.034 11.974 1.00 0.00 C ATOM 540 CD PRO A 32 0.397 -4.311 10.674 1.00 0.00 C ATOM 0 HA PRO A 32 2.916 -6.504 10.801 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.081 -6.774 12.802 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.091 -5.343 12.807 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.762 -5.645 11.906 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.019 -4.326 12.788 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.472 -4.347 10.017 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.627 -3.259 10.841 1.00 0.00 H new ATOM 548 N CYS A 33 0.482 -7.370 9.195 1.00 0.00 N ATOM 549 CA CYS A 33 -0.257 -8.488 8.627 1.00 0.00 C ATOM 550 C CYS A 33 0.458 -9.097 7.438 1.00 0.00 C ATOM 551 O CYS A 33 -0.088 -9.941 6.739 1.00 0.00 O ATOM 552 CB CYS A 33 -1.660 -8.051 8.255 1.00 0.00 C ATOM 553 SG CYS A 33 -2.598 -7.439 9.660 1.00 0.00 S ATOM 0 H CYS A 33 0.429 -6.506 8.656 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.321 -9.266 9.388 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.603 -7.271 7.496 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.191 -8.892 7.809 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.173 -6.317 9.342 1.00 0.00 H new ATOM 559 N LEU A 34 1.666 -8.674 7.209 1.00 0.00 N ATOM 560 CA LEU A 34 2.451 -9.233 6.151 1.00 0.00 C ATOM 561 C LEU A 34 3.649 -9.903 6.708 1.00 0.00 C ATOM 562 O LEU A 34 4.175 -9.487 7.754 1.00 0.00 O ATOM 563 CB LEU A 34 2.853 -8.220 5.105 1.00 0.00 C ATOM 564 CG LEU A 34 1.737 -7.707 4.221 1.00 0.00 C ATOM 565 CD1 LEU A 34 1.033 -6.492 4.809 1.00 0.00 C ATOM 566 CD2 LEU A 34 2.262 -7.461 2.846 1.00 0.00 C ATOM 0 H LEU A 34 2.130 -7.940 7.744 1.00 0.00 H new ATOM 0 HA LEU A 34 1.820 -9.963 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.313 -7.369 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.618 -8.666 4.470 1.00 0.00 H new ATOM 0 HG LEU A 34 0.966 -8.475 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.242 -6.167 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.600 -6.754 5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.752 -5.684 4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.458 -7.092 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.060 -6.720 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.652 -8.391 2.434 1.00 0.00 H new ATOM 578 N THR A 35 4.102 -10.908 6.026 1.00 0.00 N ATOM 579 CA THR A 35 5.180 -11.693 6.481 1.00 0.00 C ATOM 580 C THR A 35 6.491 -10.926 6.279 1.00 0.00 C ATOM 581 O THR A 35 6.576 -10.020 5.429 1.00 0.00 O ATOM 582 CB THR A 35 5.200 -12.969 5.667 1.00 0.00 C ATOM 583 OG1 THR A 35 3.840 -13.321 5.353 1.00 0.00 O ATOM 584 CG2 THR A 35 5.784 -14.089 6.473 1.00 0.00 C ATOM 0 H THR A 35 3.721 -11.201 5.127 1.00 0.00 H new ATOM 0 HA THR A 35 5.069 -11.922 7.541 1.00 0.00 H new ATOM 0 HB THR A 35 5.796 -12.813 4.768 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.829 -14.146 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.793 -15.001 5.876 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.804 -13.835 6.763 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.181 -14.247 7.367 1.00 0.00 H new ATOM 592 N ALA A 36 7.496 -11.289 7.043 1.00 0.00 N ATOM 593 CA ALA A 36 8.806 -10.661 6.985 1.00 0.00 C ATOM 594 C ALA A 36 9.416 -10.862 5.618 1.00 0.00 C ATOM 595 O ALA A 36 10.051 -9.987 5.085 1.00 0.00 O ATOM 596 CB ALA A 36 9.703 -11.256 8.042 1.00 0.00 C ATOM 0 H ALA A 36 7.431 -12.038 7.733 1.00 0.00 H new ATOM 0 HA ALA A 36 8.697 -9.592 7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.684 -10.783 7.995 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.266 -11.089 9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.808 -12.327 7.869 1.00 0.00 H new ATOM 602 N ARG A 37 9.127 -12.005 5.037 1.00 0.00 N ATOM 603 CA ARG A 37 9.618 -12.397 3.720 1.00 0.00 C ATOM 604 C ARG A 37 9.190 -11.357 2.672 1.00 0.00 C ATOM 605 O ARG A 37 9.894 -11.087 1.708 1.00 0.00 O ATOM 606 CB ARG A 37 8.987 -13.736 3.356 1.00 0.00 C ATOM 607 CG ARG A 37 9.056 -14.787 4.451 1.00 0.00 C ATOM 608 CD ARG A 37 8.281 -16.028 4.064 1.00 0.00 C ATOM 609 NE ARG A 37 8.105 -16.940 5.198 1.00 0.00 N ATOM 610 CZ ARG A 37 7.293 -18.014 5.197 1.00 0.00 C ATOM 611 NH1 ARG A 37 6.572 -18.315 4.115 1.00 0.00 N ATOM 612 NH2 ARG A 37 7.176 -18.756 6.284 1.00 0.00 N ATOM 0 H ARG A 37 8.531 -12.709 5.471 1.00 0.00 H new ATOM 0 HA ARG A 37 10.706 -12.468 3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.942 -13.571 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.481 -14.125 2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.096 -15.049 4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.654 -14.378 5.378 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.304 -15.739 3.676 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.803 -16.546 3.260 1.00 0.00 H new ATOM 0 HE ARG A 37 8.635 -16.747 6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.634 -17.730 3.282 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.959 -19.130 4.121 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.701 -18.515 7.125 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.561 -19.569 6.282 1.00 0.00 H new ATOM 626 N ASP A 38 8.043 -10.778 2.925 1.00 0.00 N ATOM 627 CA ASP A 38 7.412 -9.805 2.065 1.00 0.00 C ATOM 628 C ASP A 38 7.922 -8.408 2.356 1.00 0.00 C ATOM 629 O ASP A 38 8.513 -7.759 1.502 1.00 0.00 O ATOM 630 CB ASP A 38 5.893 -9.857 2.301 1.00 0.00 C ATOM 631 CG ASP A 38 5.265 -11.126 1.816 1.00 0.00 C ATOM 632 OD1 ASP A 38 5.299 -12.139 2.535 1.00 0.00 O ATOM 633 OD2 ASP A 38 4.691 -11.139 0.719 1.00 0.00 O ATOM 0 H ASP A 38 7.502 -10.978 3.766 1.00 0.00 H new ATOM 0 HA ASP A 38 7.648 -10.041 1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.693 -9.744 3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.424 -9.011 1.798 1.00 0.00 H new ATOM 638 N GLN A 39 7.729 -7.969 3.587 1.00 0.00 N ATOM 639 CA GLN A 39 8.037 -6.598 3.976 1.00 0.00 C ATOM 640 C GLN A 39 9.523 -6.319 4.134 1.00 0.00 C ATOM 641 O GLN A 39 10.001 -5.274 3.728 1.00 0.00 O ATOM 642 CB GLN A 39 7.287 -6.222 5.244 1.00 0.00 C ATOM 643 CG GLN A 39 5.780 -6.234 5.077 1.00 0.00 C ATOM 644 CD GLN A 39 5.278 -5.258 4.018 1.00 0.00 C ATOM 645 OE1 GLN A 39 5.165 -5.711 2.789 1.00 0.00 O flip ATOM 646 NE2 GLN A 39 4.983 -4.113 4.312 1.00 0.00 N flip ATOM 0 H GLN A 39 7.357 -8.545 4.342 1.00 0.00 H new ATOM 0 HA GLN A 39 7.701 -5.971 3.150 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.563 -6.914 6.039 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.602 -5.228 5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.460 -7.242 4.812 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.314 -5.992 6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.082 -3.792 5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.637 -3.475 3.595 1.00 0.00 H new ATOM 655 N ASP A 40 10.259 -7.265 4.673 1.00 0.00 N ATOM 656 CA ASP A 40 11.683 -7.049 4.956 1.00 0.00 C ATOM 657 C ASP A 40 12.470 -6.974 3.683 1.00 0.00 C ATOM 658 O ASP A 40 13.420 -6.217 3.567 1.00 0.00 O ATOM 659 CB ASP A 40 12.237 -8.147 5.836 1.00 0.00 C ATOM 660 CG ASP A 40 13.629 -7.848 6.320 1.00 0.00 C ATOM 661 OD1 ASP A 40 13.806 -6.859 7.046 1.00 0.00 O ATOM 662 OD2 ASP A 40 14.556 -8.628 6.031 1.00 0.00 O ATOM 0 H ASP A 40 9.910 -8.189 4.927 1.00 0.00 H new ATOM 0 HA ASP A 40 11.774 -6.101 5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.580 -8.287 6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.242 -9.085 5.281 1.00 0.00 H new ATOM 667 N ARG A 41 12.028 -7.726 2.704 1.00 0.00 N ATOM 668 CA ARG A 41 12.648 -7.738 1.405 1.00 0.00 C ATOM 669 C ARG A 41 12.530 -6.360 0.736 1.00 0.00 C ATOM 670 O ARG A 41 13.403 -5.953 -0.014 1.00 0.00 O ATOM 671 CB ARG A 41 12.013 -8.830 0.562 1.00 0.00 C ATOM 672 CG ARG A 41 12.657 -9.070 -0.790 1.00 0.00 C ATOM 673 CD ARG A 41 14.166 -9.305 -0.677 1.00 0.00 C ATOM 674 NE ARG A 41 14.504 -10.356 0.295 1.00 0.00 N ATOM 675 CZ ARG A 41 15.698 -10.488 0.900 1.00 0.00 C ATOM 676 NH1 ARG A 41 16.723 -9.737 0.526 1.00 0.00 N ATOM 677 NH2 ARG A 41 15.865 -11.397 1.848 1.00 0.00 N ATOM 0 H ARG A 41 11.225 -8.349 2.788 1.00 0.00 H new ATOM 0 HA ARG A 41 13.712 -7.952 1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.038 -9.762 1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.964 -8.580 0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.191 -9.933 -1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.472 -8.212 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.561 -9.579 -1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.654 -8.375 -0.385 1.00 0.00 H new ATOM 0 HE ARG A 41 13.779 -11.035 0.527 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.609 -9.055 -0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.627 -9.841 0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.088 -11.998 2.120 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.771 -11.496 2.306 1.00 0.00 H new ATOM 691 N LEU A 42 11.485 -5.628 1.080 1.00 0.00 N ATOM 692 CA LEU A 42 11.281 -4.277 0.578 1.00 0.00 C ATOM 693 C LEU A 42 12.334 -3.338 1.151 1.00 0.00 C ATOM 694 O LEU A 42 12.726 -2.374 0.523 1.00 0.00 O ATOM 695 CB LEU A 42 9.883 -3.787 0.938 1.00 0.00 C ATOM 696 CG LEU A 42 8.735 -4.536 0.277 1.00 0.00 C ATOM 697 CD1 LEU A 42 7.429 -4.143 0.903 1.00 0.00 C ATOM 698 CD2 LEU A 42 8.693 -4.213 -1.191 1.00 0.00 C ATOM 0 H LEU A 42 10.754 -5.951 1.714 1.00 0.00 H new ATOM 0 HA LEU A 42 11.378 -4.288 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.761 -3.852 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.807 -2.733 0.672 1.00 0.00 H new ATOM 0 HG LEU A 42 8.894 -5.606 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.616 -4.686 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.447 -4.386 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.274 -3.071 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.869 -4.752 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.547 -3.141 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.632 -4.511 -1.656 1.00 0.00 H new ATOM 710 N ARG A 43 12.822 -3.667 2.331 1.00 0.00 N ATOM 711 CA ARG A 43 13.849 -2.878 2.989 1.00 0.00 C ATOM 712 C ARG A 43 15.211 -3.184 2.349 1.00 0.00 C ATOM 713 O ARG A 43 16.180 -2.433 2.496 1.00 0.00 O ATOM 714 CB ARG A 43 13.854 -3.173 4.490 1.00 0.00 C ATOM 715 CG ARG A 43 14.834 -2.351 5.296 1.00 0.00 C ATOM 716 CD ARG A 43 14.763 -2.689 6.769 1.00 0.00 C ATOM 717 NE ARG A 43 15.034 -4.107 7.033 1.00 0.00 N ATOM 718 CZ ARG A 43 15.960 -4.576 7.873 1.00 0.00 C ATOM 719 NH1 ARG A 43 16.801 -3.748 8.499 1.00 0.00 N ATOM 720 NH2 ARG A 43 16.034 -5.870 8.081 1.00 0.00 N ATOM 0 H ARG A 43 12.520 -4.485 2.860 1.00 0.00 H new ATOM 0 HA ARG A 43 13.641 -1.816 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.851 -3.004 4.882 1.00 0.00 H new ATOM 0 HB3 ARG A 43 14.080 -4.229 4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.845 -2.527 4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.624 -1.291 5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.482 -2.077 7.314 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.774 -2.434 7.150 1.00 0.00 H new ATOM 0 HE ARG A 43 14.467 -4.792 6.533 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.741 -2.743 8.338 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.503 -4.121 9.138 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.390 -6.501 7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.736 -6.245 8.720 1.00 0.00 H new ATOM 734 N ALA A 44 15.280 -4.268 1.631 1.00 0.00 N ATOM 735 CA ALA A 44 16.458 -4.570 0.873 1.00 0.00 C ATOM 736 C ALA A 44 16.380 -3.811 -0.446 1.00 0.00 C ATOM 737 O ALA A 44 17.246 -2.992 -0.756 1.00 0.00 O ATOM 738 CB ALA A 44 16.586 -6.068 0.641 1.00 0.00 C ATOM 0 H ALA A 44 14.533 -4.958 1.555 1.00 0.00 H new ATOM 0 HA ALA A 44 17.346 -4.260 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 44 17.488 -6.271 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 44 16.647 -6.581 1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.715 -6.427 0.092 1.00 0.00 H new ATOM 744 N THR A 45 15.277 -4.024 -1.162 1.00 0.00 N ATOM 745 CA THR A 45 15.017 -3.417 -2.459 1.00 0.00 C ATOM 746 C THR A 45 15.062 -1.863 -2.408 1.00 0.00 C ATOM 747 O THR A 45 15.536 -1.228 -3.362 1.00 0.00 O ATOM 748 CB THR A 45 13.622 -3.868 -2.965 1.00 0.00 C ATOM 749 OG1 THR A 45 13.506 -5.294 -2.832 1.00 0.00 O ATOM 750 CG2 THR A 45 13.411 -3.493 -4.429 1.00 0.00 C ATOM 0 H THR A 45 14.525 -4.637 -0.847 1.00 0.00 H new ATOM 0 HA THR A 45 15.803 -3.748 -3.138 1.00 0.00 H new ATOM 0 HB THR A 45 12.866 -3.362 -2.365 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.312 -5.521 -1.899 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.424 -3.824 -4.751 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.486 -2.411 -4.542 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.173 -3.975 -5.042 1.00 0.00 H new ATOM 758 N CYS A 46 14.626 -1.277 -1.282 1.00 0.00 N ATOM 759 CA CYS A 46 14.499 0.158 -1.112 1.00 0.00 C ATOM 760 C CYS A 46 15.763 0.928 -1.535 1.00 0.00 C ATOM 761 O CYS A 46 15.715 1.788 -2.403 1.00 0.00 O ATOM 762 CB CYS A 46 14.125 0.460 0.350 1.00 0.00 C ATOM 763 SG CYS A 46 15.431 0.213 1.585 1.00 0.00 S ATOM 0 H CYS A 46 14.350 -1.807 -0.456 1.00 0.00 H new ATOM 0 HA CYS A 46 13.707 0.506 -1.776 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.790 1.495 0.410 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.275 -0.166 0.622 1.00 0.00 H new ATOM 0 HG CYS A 46 15.896 -0.997 1.489 1.00 0.00 H new ATOM 769 N THR A 47 16.884 0.544 -0.982 1.00 0.00 N ATOM 770 CA THR A 47 18.138 1.219 -1.215 1.00 0.00 C ATOM 771 C THR A 47 18.911 0.561 -2.373 1.00 0.00 C ATOM 772 O THR A 47 20.080 0.878 -2.623 1.00 0.00 O ATOM 773 CB THR A 47 18.992 1.226 0.099 1.00 0.00 C ATOM 774 OG1 THR A 47 20.202 1.998 -0.065 1.00 0.00 O ATOM 775 CG2 THR A 47 19.347 -0.196 0.544 1.00 0.00 C ATOM 0 H THR A 47 16.955 -0.254 -0.351 1.00 0.00 H new ATOM 0 HA THR A 47 17.932 2.250 -1.502 1.00 0.00 H new ATOM 0 HB THR A 47 18.380 1.691 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 47 20.542 1.883 -0.977 1.00 0.00 H new ATOM 0 HG21 THR A 47 19.939 -0.154 1.458 1.00 0.00 H new ATOM 0 HG22 THR A 47 18.432 -0.758 0.730 1.00 0.00 H new ATOM 0 HG23 THR A 47 19.923 -0.689 -0.239 1.00 0.00 H new ATOM 783 N LEU A 48 18.263 -0.349 -3.066 1.00 0.00 N ATOM 784 CA LEU A 48 18.879 -1.019 -4.189 1.00 0.00 C ATOM 785 C LEU A 48 18.292 -0.532 -5.496 1.00 0.00 C ATOM 786 O LEU A 48 19.019 -0.242 -6.444 1.00 0.00 O ATOM 787 CB LEU A 48 18.722 -2.543 -4.079 1.00 0.00 C ATOM 788 CG LEU A 48 19.435 -3.226 -2.911 1.00 0.00 C ATOM 789 CD1 LEU A 48 19.194 -4.724 -2.952 1.00 0.00 C ATOM 790 CD2 LEU A 48 20.925 -2.922 -2.929 1.00 0.00 C ATOM 0 H LEU A 48 17.306 -0.643 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 48 19.942 -0.779 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.658 -2.771 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 48 19.083 -2.990 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 48 19.024 -2.832 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.707 -5.198 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.125 -4.923 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.577 -5.129 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 48 21.408 -3.420 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 48 21.359 -3.282 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 48 21.078 -1.846 -2.850 1.00 0.00 H new ATOM 802 N SER A 49 16.986 -0.443 -5.543 1.00 0.00 N ATOM 803 CA SER A 49 16.289 -0.056 -6.743 1.00 0.00 C ATOM 804 C SER A 49 15.660 1.334 -6.613 1.00 0.00 C ATOM 805 O SER A 49 15.178 1.900 -7.601 1.00 0.00 O ATOM 806 CB SER A 49 15.196 -1.086 -7.015 1.00 0.00 C ATOM 807 OG SER A 49 15.727 -2.406 -7.003 1.00 0.00 O ATOM 0 H SER A 49 16.376 -0.637 -4.749 1.00 0.00 H new ATOM 0 HA SER A 49 17.004 -0.016 -7.565 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.413 -0.998 -6.262 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.734 -0.885 -7.981 1.00 0.00 H new ATOM 0 HG SER A 49 15.009 -3.049 -7.178 1.00 0.00 H new ATOM 813 N GLY A 50 15.670 1.891 -5.421 1.00 0.00 N ATOM 814 CA GLY A 50 14.993 3.140 -5.196 1.00 0.00 C ATOM 815 C GLY A 50 13.597 2.854 -4.709 1.00 0.00 C ATOM 816 O GLY A 50 13.064 1.748 -4.962 1.00 0.00 O ATOM 0 H GLY A 50 16.136 1.500 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.534 3.736 -4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.960 3.723 -6.117 1.00 0.00 H new ATOM 820 N ASN A 51 12.985 3.799 -4.030 1.00 0.00 N ATOM 821 CA ASN A 51 11.671 3.577 -3.465 1.00 0.00 C ATOM 822 C ASN A 51 10.647 3.322 -4.541 1.00 0.00 C ATOM 823 O ASN A 51 9.852 2.412 -4.425 1.00 0.00 O ATOM 824 CB ASN A 51 11.209 4.708 -2.533 1.00 0.00 C ATOM 825 CG ASN A 51 10.749 6.008 -3.180 1.00 0.00 C ATOM 826 OD1 ASN A 51 11.240 6.421 -4.224 1.00 0.00 O ATOM 827 ND2 ASN A 51 9.783 6.653 -2.566 1.00 0.00 N ATOM 0 H ASN A 51 13.374 4.726 -3.856 1.00 0.00 H new ATOM 0 HA ASN A 51 11.761 2.683 -2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.390 4.328 -1.923 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.030 4.942 -1.855 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.422 7.523 -2.957 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.395 6.284 -1.698 1.00 0.00 H new ATOM 834 N ARG A 52 10.725 4.113 -5.586 1.00 0.00 N ATOM 835 CA ARG A 52 9.858 4.037 -6.773 1.00 0.00 C ATOM 836 C ARG A 52 9.637 2.597 -7.257 1.00 0.00 C ATOM 837 O ARG A 52 8.501 2.169 -7.449 1.00 0.00 O ATOM 838 CB ARG A 52 10.458 4.884 -7.905 1.00 0.00 C ATOM 839 CG ARG A 52 9.767 4.714 -9.252 1.00 0.00 C ATOM 840 CD ARG A 52 10.426 5.558 -10.321 1.00 0.00 C ATOM 841 NE ARG A 52 9.916 5.241 -11.660 1.00 0.00 N ATOM 842 CZ ARG A 52 9.871 6.096 -12.693 1.00 0.00 C ATOM 843 NH1 ARG A 52 10.270 7.361 -12.542 1.00 0.00 N ATOM 844 NH2 ARG A 52 9.430 5.680 -13.881 1.00 0.00 N ATOM 0 H ARG A 52 11.416 4.861 -5.650 1.00 0.00 H new ATOM 0 HA ARG A 52 8.882 4.428 -6.486 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.415 5.935 -7.618 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.511 4.627 -8.016 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.794 3.665 -9.547 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.717 4.993 -9.162 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.255 6.613 -10.108 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.504 5.399 -10.296 1.00 0.00 H new ATOM 0 HE ARG A 52 9.568 4.295 -11.818 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.612 7.683 -11.637 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.233 8.005 -13.332 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.128 4.713 -14.003 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.395 6.328 -14.668 1.00 0.00 H new ATOM 858 N ASP A 53 10.713 1.852 -7.418 1.00 0.00 N ATOM 859 CA ASP A 53 10.594 0.486 -7.913 1.00 0.00 C ATOM 860 C ASP A 53 10.107 -0.423 -6.785 1.00 0.00 C ATOM 861 O ASP A 53 9.285 -1.316 -6.995 1.00 0.00 O ATOM 862 CB ASP A 53 11.930 -0.011 -8.489 1.00 0.00 C ATOM 863 CG ASP A 53 11.792 -1.308 -9.272 1.00 0.00 C ATOM 864 OD1 ASP A 53 11.498 -1.248 -10.491 1.00 0.00 O ATOM 865 OD2 ASP A 53 11.975 -2.404 -8.696 1.00 0.00 O ATOM 0 H ASP A 53 11.665 2.158 -7.219 1.00 0.00 H new ATOM 0 HA ASP A 53 9.865 0.464 -8.723 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.348 0.757 -9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.639 -0.158 -7.674 1.00 0.00 H new ATOM 870 N THR A 54 10.566 -0.127 -5.575 1.00 0.00 N ATOM 871 CA THR A 54 10.190 -0.861 -4.367 1.00 0.00 C ATOM 872 C THR A 54 8.653 -0.811 -4.140 1.00 0.00 C ATOM 873 O THR A 54 8.055 -1.795 -3.689 1.00 0.00 O ATOM 874 CB THR A 54 10.949 -0.281 -3.143 1.00 0.00 C ATOM 875 OG1 THR A 54 12.353 -0.332 -3.410 1.00 0.00 O ATOM 876 CG2 THR A 54 10.667 -1.071 -1.872 1.00 0.00 C ATOM 0 H THR A 54 11.218 0.638 -5.400 1.00 0.00 H new ATOM 0 HA THR A 54 10.470 -1.907 -4.492 1.00 0.00 H new ATOM 0 HB THR A 54 10.609 0.743 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.641 0.516 -3.809 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.218 -0.631 -1.041 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.599 -1.043 -1.655 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.982 -2.105 -2.009 1.00 0.00 H new ATOM 884 N LEU A 55 8.027 0.325 -4.496 1.00 0.00 N ATOM 885 CA LEU A 55 6.566 0.495 -4.429 1.00 0.00 C ATOM 886 C LEU A 55 5.835 -0.620 -5.143 1.00 0.00 C ATOM 887 O LEU A 55 4.824 -1.114 -4.659 1.00 0.00 O ATOM 888 CB LEU A 55 6.121 1.817 -5.060 1.00 0.00 C ATOM 889 CG LEU A 55 5.922 3.026 -4.148 1.00 0.00 C ATOM 890 CD1 LEU A 55 7.190 3.459 -3.484 1.00 0.00 C ATOM 891 CD2 LEU A 55 5.334 4.165 -4.929 1.00 0.00 C ATOM 0 H LEU A 55 8.520 1.150 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 55 6.317 0.483 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.858 2.089 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.181 1.636 -5.582 1.00 0.00 H new ATOM 0 HG LEU A 55 5.234 2.725 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.991 4.321 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.580 2.642 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.924 3.729 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.195 5.023 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.008 4.435 -5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.371 3.864 -5.342 1.00 0.00 H new ATOM 903 N TRP A 56 6.370 -1.047 -6.267 1.00 0.00 N ATOM 904 CA TRP A 56 5.718 -2.050 -7.060 1.00 0.00 C ATOM 905 C TRP A 56 5.698 -3.394 -6.333 1.00 0.00 C ATOM 906 O TRP A 56 4.717 -4.119 -6.382 1.00 0.00 O ATOM 907 CB TRP A 56 6.362 -2.165 -8.437 1.00 0.00 C ATOM 908 CG TRP A 56 5.561 -3.004 -9.365 1.00 0.00 C ATOM 909 CD1 TRP A 56 5.894 -4.216 -9.882 1.00 0.00 C ATOM 910 CD2 TRP A 56 4.253 -2.700 -9.855 1.00 0.00 C ATOM 911 NE1 TRP A 56 4.879 -4.678 -10.672 1.00 0.00 N ATOM 912 CE2 TRP A 56 3.859 -3.765 -10.672 1.00 0.00 C ATOM 913 CE3 TRP A 56 3.379 -1.619 -9.678 1.00 0.00 C ATOM 914 CZ2 TRP A 56 2.627 -3.788 -11.316 1.00 0.00 C ATOM 915 CZ3 TRP A 56 2.163 -1.642 -10.317 1.00 0.00 C ATOM 916 CH2 TRP A 56 1.795 -2.718 -11.125 1.00 0.00 C ATOM 0 H TRP A 56 7.255 -0.711 -6.647 1.00 0.00 H new ATOM 0 HA TRP A 56 4.683 -1.743 -7.210 1.00 0.00 H new ATOM 0 HB2 TRP A 56 6.483 -1.169 -8.863 1.00 0.00 H new ATOM 0 HB3 TRP A 56 7.360 -2.591 -8.335 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.822 -4.736 -9.696 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.881 -5.562 -11.181 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.656 -0.784 -9.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 2.338 -4.618 -11.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.481 -0.814 -10.192 1.00 0.00 H new ATOM 0 HH2 TRP A 56 0.831 -2.707 -11.611 1.00 0.00 H new ATOM 927 N HIS A 57 6.761 -3.689 -5.612 1.00 0.00 N ATOM 928 CA HIS A 57 6.845 -4.931 -4.855 1.00 0.00 C ATOM 929 C HIS A 57 5.996 -4.786 -3.573 1.00 0.00 C ATOM 930 O HIS A 57 5.403 -5.750 -3.083 1.00 0.00 O ATOM 931 CB HIS A 57 8.331 -5.277 -4.560 1.00 0.00 C ATOM 932 CG HIS A 57 8.578 -6.606 -3.867 1.00 0.00 C ATOM 933 ND1 HIS A 57 9.705 -6.884 -3.114 1.00 0.00 N ATOM 934 CD2 HIS A 57 7.832 -7.740 -3.843 1.00 0.00 C ATOM 935 CE1 HIS A 57 9.606 -8.141 -2.669 1.00 0.00 C ATOM 936 NE2 HIS A 57 8.488 -8.706 -3.081 1.00 0.00 N ATOM 0 H HIS A 57 7.581 -3.088 -5.532 1.00 0.00 H new ATOM 0 HA HIS A 57 6.443 -5.764 -5.431 1.00 0.00 H new ATOM 0 HB2 HIS A 57 8.879 -5.273 -5.502 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.753 -4.484 -3.943 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.880 -7.873 -4.336 1.00 0.00 H new ATOM 0 HE1 HIS A 57 10.346 -8.630 -2.052 1.00 0.00 H new ATOM 0 HE2 HIS A 57 8.169 -9.654 -2.883 1.00 0.00 H new ATOM 944 N LEU A 58 5.914 -3.559 -3.075 1.00 0.00 N ATOM 945 CA LEU A 58 5.086 -3.218 -1.920 1.00 0.00 C ATOM 946 C LEU A 58 3.621 -3.508 -2.245 1.00 0.00 C ATOM 947 O LEU A 58 2.990 -4.349 -1.623 1.00 0.00 O ATOM 948 CB LEU A 58 5.263 -1.724 -1.581 1.00 0.00 C ATOM 949 CG LEU A 58 4.435 -1.156 -0.411 1.00 0.00 C ATOM 950 CD1 LEU A 58 4.894 -1.707 0.924 1.00 0.00 C ATOM 951 CD2 LEU A 58 4.475 0.361 -0.406 1.00 0.00 C ATOM 0 H LEU A 58 6.423 -2.765 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 58 5.390 -3.816 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.317 -1.551 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.024 -1.146 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 58 3.403 -1.475 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.285 -1.282 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.788 -2.792 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.939 -1.444 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.884 0.738 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.506 0.697 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.064 0.739 -1.342 1.00 0.00 H new ATOM 963 N PHE A 59 3.115 -2.868 -3.273 1.00 0.00 N ATOM 964 CA PHE A 59 1.720 -3.053 -3.664 1.00 0.00 C ATOM 965 C PHE A 59 1.444 -4.473 -4.168 1.00 0.00 C ATOM 966 O PHE A 59 0.309 -4.950 -4.116 1.00 0.00 O ATOM 967 CB PHE A 59 1.258 -1.995 -4.677 1.00 0.00 C ATOM 968 CG PHE A 59 1.227 -0.598 -4.110 1.00 0.00 C ATOM 969 CD1 PHE A 59 0.260 -0.238 -3.187 1.00 0.00 C ATOM 970 CD2 PHE A 59 2.159 0.349 -4.497 1.00 0.00 C ATOM 971 CE1 PHE A 59 0.225 1.037 -2.662 1.00 0.00 C ATOM 972 CE2 PHE A 59 2.130 1.627 -3.976 1.00 0.00 C ATOM 973 CZ PHE A 59 1.164 1.971 -3.057 1.00 0.00 C ATOM 0 H PHE A 59 3.638 -2.216 -3.857 1.00 0.00 H new ATOM 0 HA PHE A 59 1.126 -2.913 -2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.923 -2.014 -5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.262 -2.256 -5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.476 -0.964 -2.874 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.920 0.084 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.535 1.305 -1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.863 2.356 -4.289 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.140 2.969 -2.645 1.00 0.00 H new ATOM 983 N ASN A 60 2.478 -5.152 -4.625 1.00 0.00 N ATOM 984 CA ASN A 60 2.347 -6.536 -5.084 1.00 0.00 C ATOM 985 C ASN A 60 2.211 -7.501 -3.897 1.00 0.00 C ATOM 986 O ASN A 60 1.519 -8.523 -3.994 1.00 0.00 O ATOM 987 CB ASN A 60 3.534 -6.940 -5.977 1.00 0.00 C ATOM 988 CG ASN A 60 3.437 -8.363 -6.518 1.00 0.00 C ATOM 989 OD1 ASN A 60 3.913 -9.306 -5.897 1.00 0.00 O ATOM 990 ND2 ASN A 60 2.822 -8.529 -7.665 1.00 0.00 N ATOM 0 H ASN A 60 3.423 -4.774 -4.691 1.00 0.00 H new ATOM 0 HA ASN A 60 1.437 -6.600 -5.681 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.600 -6.246 -6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.457 -6.840 -5.406 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.730 -9.463 -8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.436 -7.724 -8.158 1.00 0.00 H new ATOM 997 N THR A 61 2.837 -7.171 -2.779 1.00 0.00 N ATOM 998 CA THR A 61 2.778 -8.020 -1.600 1.00 0.00 C ATOM 999 C THR A 61 1.553 -7.700 -0.726 1.00 0.00 C ATOM 1000 O THR A 61 0.915 -8.617 -0.168 1.00 0.00 O ATOM 1001 CB THR A 61 4.085 -7.942 -0.765 1.00 0.00 C ATOM 1002 OG1 THR A 61 4.445 -6.576 -0.532 1.00 0.00 O ATOM 1003 CG2 THR A 61 5.225 -8.655 -1.471 1.00 0.00 C ATOM 0 H THR A 61 3.391 -6.323 -2.663 1.00 0.00 H new ATOM 0 HA THR A 61 2.673 -9.044 -1.959 1.00 0.00 H new ATOM 0 HB THR A 61 3.903 -8.436 0.190 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.840 -6.198 -1.346 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.128 -8.585 -0.865 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.965 -9.704 -1.615 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.401 -8.188 -2.440 1.00 0.00 H new ATOM 1011 N LEU A 62 1.232 -6.412 -0.617 1.00 0.00 N ATOM 1012 CA LEU A 62 0.080 -5.915 0.142 1.00 0.00 C ATOM 1013 C LEU A 62 -1.224 -6.526 -0.299 1.00 0.00 C ATOM 1014 O LEU A 62 -1.931 -7.119 0.509 1.00 0.00 O ATOM 1015 CB LEU A 62 0.008 -4.389 0.059 1.00 0.00 C ATOM 1016 CG LEU A 62 0.748 -3.604 1.153 1.00 0.00 C ATOM 1017 CD1 LEU A 62 2.175 -4.072 1.329 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.715 -2.120 0.852 1.00 0.00 C ATOM 0 H LEU A 62 1.773 -5.670 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 62 0.232 -6.218 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.405 -4.082 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.042 -4.096 0.080 1.00 0.00 H new ATOM 0 HG LEU A 62 0.228 -3.792 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.656 -3.487 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.181 -5.126 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.719 -3.941 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.243 -1.578 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.198 -1.932 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.320 -1.780 0.810 1.00 0.00 H new ATOM 1030 N GLN A 63 -1.490 -6.456 -1.597 1.00 0.00 N ATOM 1031 CA GLN A 63 -2.758 -6.923 -2.207 1.00 0.00 C ATOM 1032 C GLN A 63 -3.081 -8.396 -1.902 1.00 0.00 C ATOM 1033 O GLN A 63 -4.200 -8.845 -2.118 1.00 0.00 O ATOM 1034 CB GLN A 63 -2.700 -6.742 -3.715 1.00 0.00 C ATOM 1035 CG GLN A 63 -1.576 -7.532 -4.350 1.00 0.00 C ATOM 1036 CD GLN A 63 -1.544 -7.423 -5.837 1.00 0.00 C ATOM 1037 OE1 GLN A 63 -2.163 -8.221 -6.547 1.00 0.00 O ATOM 1038 NE2 GLN A 63 -0.841 -6.452 -6.324 1.00 0.00 N ATOM 0 H GLN A 63 -0.833 -6.071 -2.276 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.549 -6.317 -1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.649 -7.052 -4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.573 -5.684 -3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.625 -7.185 -3.947 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.676 -8.581 -4.072 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.346 -5.817 -5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.782 -6.322 -7.334 1.00 0.00 H new ATOM 1047 N ARG A 64 -2.097 -9.140 -1.426 1.00 0.00 N ATOM 1048 CA ARG A 64 -2.273 -10.543 -1.126 1.00 0.00 C ATOM 1049 C ARG A 64 -3.066 -10.707 0.170 1.00 0.00 C ATOM 1050 O ARG A 64 -3.800 -11.679 0.336 1.00 0.00 O ATOM 1051 CB ARG A 64 -0.911 -11.239 -1.000 1.00 0.00 C ATOM 1052 CG ARG A 64 -0.011 -11.074 -2.211 1.00 0.00 C ATOM 1053 CD ARG A 64 1.344 -11.730 -1.992 1.00 0.00 C ATOM 1054 NE ARG A 64 2.301 -11.351 -3.033 1.00 0.00 N ATOM 1055 CZ ARG A 64 3.601 -11.673 -3.047 1.00 0.00 C ATOM 1056 NH1 ARG A 64 4.097 -12.523 -2.151 1.00 0.00 N ATOM 1057 NH2 ARG A 64 4.395 -11.164 -3.973 1.00 0.00 N ATOM 0 H ARG A 64 -1.159 -8.786 -1.239 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.827 -11.006 -1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.396 -10.847 -0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.074 -12.302 -0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.492 -11.513 -3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.127 -10.013 -2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.735 -11.442 -1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.227 -12.814 -1.982 1.00 0.00 H new ATOM 0 HE ARG A 64 1.948 -10.796 -3.812 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.486 -12.935 -1.446 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.088 -12.762 -2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.017 -10.527 -4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.385 -11.408 -3.986 1.00 0.00 H new ATOM 1071 N ARG A 65 -2.938 -9.745 1.071 1.00 0.00 N ATOM 1072 CA ARG A 65 -3.605 -9.809 2.353 1.00 0.00 C ATOM 1073 C ARG A 65 -4.843 -8.922 2.365 1.00 0.00 C ATOM 1074 O ARG A 65 -4.735 -7.713 2.184 1.00 0.00 O ATOM 1075 CB ARG A 65 -2.667 -9.380 3.502 1.00 0.00 C ATOM 1076 CG ARG A 65 -1.527 -10.344 3.845 1.00 0.00 C ATOM 1077 CD ARG A 65 -0.452 -10.441 2.774 1.00 0.00 C ATOM 1078 NE ARG A 65 0.573 -11.409 3.139 1.00 0.00 N ATOM 1079 CZ ARG A 65 1.776 -11.525 2.569 1.00 0.00 C ATOM 1080 NH1 ARG A 65 2.116 -10.766 1.517 1.00 0.00 N ATOM 1081 NH2 ARG A 65 2.635 -12.409 3.042 1.00 0.00 N ATOM 0 H ARG A 65 -2.373 -8.907 0.932 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.899 -10.847 2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.232 -8.414 3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.270 -9.231 4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.066 -10.026 4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.944 -11.336 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.906 -10.729 1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.005 -9.463 2.625 1.00 0.00 H new ATOM 0 HE ARG A 65 0.353 -12.056 3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.452 -10.089 1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.038 -10.866 1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.378 -12.996 3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.556 -12.505 2.614 1.00 0.00 H new ATOM 1095 N PRO A 66 -6.041 -9.502 2.550 1.00 0.00 N ATOM 1096 CA PRO A 66 -7.273 -8.722 2.668 1.00 0.00 C ATOM 1097 C PRO A 66 -7.235 -7.868 3.940 1.00 0.00 C ATOM 1098 O PRO A 66 -7.128 -8.400 5.060 1.00 0.00 O ATOM 1099 CB PRO A 66 -8.381 -9.788 2.774 1.00 0.00 C ATOM 1100 CG PRO A 66 -7.750 -11.055 2.304 1.00 0.00 C ATOM 1101 CD PRO A 66 -6.297 -10.948 2.658 1.00 0.00 C ATOM 0 HA PRO A 66 -7.424 -8.040 1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.739 -9.883 3.799 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.241 -9.525 2.159 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.206 -11.920 2.785 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.882 -11.181 1.229 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.097 -11.320 3.663 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.671 -11.522 1.975 1.00 0.00 H new ATOM 1109 N GLY A 67 -7.293 -6.567 3.775 1.00 0.00 N ATOM 1110 CA GLY A 67 -7.207 -5.689 4.908 1.00 0.00 C ATOM 1111 C GLY A 67 -5.946 -4.862 4.888 1.00 0.00 C ATOM 1112 O GLY A 67 -5.670 -4.127 5.829 1.00 0.00 O ATOM 0 H GLY A 67 -7.398 -6.101 2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.074 -5.028 4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.241 -6.277 5.825 1.00 0.00 H new ATOM 1116 N TRP A 68 -5.172 -4.980 3.804 1.00 0.00 N ATOM 1117 CA TRP A 68 -3.917 -4.241 3.673 1.00 0.00 C ATOM 1118 C TRP A 68 -4.129 -2.739 3.695 1.00 0.00 C ATOM 1119 O TRP A 68 -3.287 -2.004 4.213 1.00 0.00 O ATOM 1120 CB TRP A 68 -3.126 -4.635 2.393 1.00 0.00 C ATOM 1121 CG TRP A 68 -3.831 -4.377 1.064 1.00 0.00 C ATOM 1122 CD1 TRP A 68 -4.715 -5.197 0.426 1.00 0.00 C ATOM 1123 CD2 TRP A 68 -3.669 -3.228 0.208 1.00 0.00 C ATOM 1124 NE1 TRP A 68 -5.114 -4.636 -0.762 1.00 0.00 N ATOM 1125 CE2 TRP A 68 -4.486 -3.428 -0.921 1.00 0.00 C ATOM 1126 CE3 TRP A 68 -2.914 -2.055 0.291 1.00 0.00 C ATOM 1127 CZ2 TRP A 68 -4.570 -2.495 -1.960 1.00 0.00 C ATOM 1128 CZ3 TRP A 68 -2.996 -1.131 -0.735 1.00 0.00 C ATOM 1129 CH2 TRP A 68 -3.815 -1.355 -1.848 1.00 0.00 C ATOM 0 H TRP A 68 -5.394 -5.579 3.008 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.324 -4.521 4.544 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.181 -4.091 2.392 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.883 -5.696 2.452 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.053 -6.151 0.802 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -5.772 -5.052 -1.421 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -2.276 -1.873 1.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -5.205 -2.666 -2.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -2.418 -0.221 -0.676 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -3.853 -0.616 -2.634 1.00 0.00 H new ATOM 1140 N VAL A 69 -5.267 -2.293 3.180 1.00 0.00 N ATOM 1141 CA VAL A 69 -5.518 -0.880 3.009 1.00 0.00 C ATOM 1142 C VAL A 69 -5.545 -0.128 4.339 1.00 0.00 C ATOM 1143 O VAL A 69 -4.892 0.902 4.471 1.00 0.00 O ATOM 1144 CB VAL A 69 -6.815 -0.597 2.218 1.00 0.00 C ATOM 1145 CG1 VAL A 69 -6.938 0.884 1.937 1.00 0.00 C ATOM 1146 CG2 VAL A 69 -6.849 -1.378 0.915 1.00 0.00 C ATOM 0 H VAL A 69 -6.030 -2.897 2.874 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.678 -0.508 2.423 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.659 -0.921 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.855 1.074 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.966 1.432 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.081 1.215 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.774 -1.157 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.997 -1.093 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.800 -2.446 1.129 1.00 0.00 H new ATOM 1156 N GLU A 70 -6.270 -0.652 5.317 1.00 0.00 N ATOM 1157 CA GLU A 70 -6.402 -0.024 6.609 1.00 0.00 C ATOM 1158 C GLU A 70 -5.037 0.205 7.268 1.00 0.00 C ATOM 1159 O GLU A 70 -4.740 1.305 7.758 1.00 0.00 O ATOM 1160 CB GLU A 70 -7.289 -0.857 7.533 1.00 0.00 C ATOM 1161 CG GLU A 70 -8.673 -1.203 6.991 1.00 0.00 C ATOM 1162 CD GLU A 70 -8.684 -2.446 6.140 1.00 0.00 C ATOM 1163 OE1 GLU A 70 -8.341 -2.373 4.948 1.00 0.00 O ATOM 1164 OE2 GLU A 70 -9.041 -3.528 6.667 1.00 0.00 O ATOM 0 H GLU A 70 -6.783 -1.529 5.229 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.871 0.947 6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.768 -1.786 7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.412 -0.317 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.360 -1.337 7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.046 -0.364 6.403 1.00 0.00 H new ATOM 1171 N TYR A 71 -4.196 -0.817 7.236 1.00 0.00 N ATOM 1172 CA TYR A 71 -2.889 -0.740 7.829 1.00 0.00 C ATOM 1173 C TYR A 71 -1.989 0.170 7.016 1.00 0.00 C ATOM 1174 O TYR A 71 -1.129 0.853 7.561 1.00 0.00 O ATOM 1175 CB TYR A 71 -2.283 -2.128 7.951 1.00 0.00 C ATOM 1176 CG TYR A 71 -3.068 -3.066 8.841 1.00 0.00 C ATOM 1177 CD1 TYR A 71 -2.904 -3.056 10.220 1.00 0.00 C ATOM 1178 CD2 TYR A 71 -3.969 -3.960 8.300 1.00 0.00 C ATOM 1179 CE1 TYR A 71 -3.625 -3.920 11.027 1.00 0.00 C ATOM 1180 CE2 TYR A 71 -4.688 -4.820 9.091 1.00 0.00 C ATOM 1181 CZ TYR A 71 -4.517 -4.800 10.452 1.00 0.00 C ATOM 1182 OH TYR A 71 -5.228 -5.684 11.241 1.00 0.00 O ATOM 0 H TYR A 71 -4.407 -1.714 6.799 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.985 -0.317 8.829 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -2.205 -2.568 6.957 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.269 -2.038 8.340 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.205 -2.366 10.669 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.111 -3.983 7.230 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.490 -3.905 12.098 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.387 -5.511 8.643 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.812 -6.231 10.675 1.00 0.00 H new ATOM 1192 N PHE A 72 -2.212 0.198 5.716 1.00 0.00 N ATOM 1193 CA PHE A 72 -1.457 1.051 4.830 1.00 0.00 C ATOM 1194 C PHE A 72 -1.785 2.518 5.121 1.00 0.00 C ATOM 1195 O PHE A 72 -0.897 3.344 5.195 1.00 0.00 O ATOM 1196 CB PHE A 72 -1.728 0.684 3.361 1.00 0.00 C ATOM 1197 CG PHE A 72 -0.900 1.439 2.356 1.00 0.00 C ATOM 1198 CD1 PHE A 72 0.471 1.246 2.285 1.00 0.00 C ATOM 1199 CD2 PHE A 72 -1.492 2.320 1.470 1.00 0.00 C ATOM 1200 CE1 PHE A 72 1.232 1.923 1.354 1.00 0.00 C ATOM 1201 CE2 PHE A 72 -0.735 3.003 0.537 1.00 0.00 C ATOM 1202 CZ PHE A 72 0.629 2.803 0.480 1.00 0.00 C ATOM 0 H PHE A 72 -2.920 -0.369 5.249 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.392 0.901 5.006 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.549 -0.383 3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.782 0.859 3.146 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.949 0.558 2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.560 2.476 1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.299 1.764 1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.210 3.692 -0.146 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.224 3.335 -0.248 1.00 0.00 H new ATOM 1212 N ILE A 73 -3.056 2.819 5.344 1.00 0.00 N ATOM 1213 CA ILE A 73 -3.486 4.182 5.694 1.00 0.00 C ATOM 1214 C ILE A 73 -2.809 4.627 6.999 1.00 0.00 C ATOM 1215 O ILE A 73 -2.293 5.760 7.112 1.00 0.00 O ATOM 1216 CB ILE A 73 -5.036 4.269 5.854 1.00 0.00 C ATOM 1217 CG1 ILE A 73 -5.725 3.911 4.534 1.00 0.00 C ATOM 1218 CG2 ILE A 73 -5.460 5.668 6.309 1.00 0.00 C ATOM 1219 CD1 ILE A 73 -7.234 3.833 4.619 1.00 0.00 C ATOM 0 H ILE A 73 -3.816 2.141 5.291 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.190 4.844 4.880 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.341 3.554 6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.453 4.653 3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.342 2.951 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.544 5.704 6.413 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.995 5.895 7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.142 6.403 5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.641 3.575 3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.519 3.070 5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.631 4.798 4.934 1.00 0.00 H new ATOM 1231 N ALA A 74 -2.766 3.713 7.958 1.00 0.00 N ATOM 1232 CA ALA A 74 -2.141 3.968 9.246 1.00 0.00 C ATOM 1233 C ALA A 74 -0.627 4.147 9.095 1.00 0.00 C ATOM 1234 O ALA A 74 0.001 4.855 9.883 1.00 0.00 O ATOM 1235 CB ALA A 74 -2.452 2.842 10.221 1.00 0.00 C ATOM 0 H ALA A 74 -3.162 2.778 7.865 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.552 4.895 9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.976 3.049 11.180 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.531 2.768 10.359 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.072 1.901 9.823 1.00 0.00 H new ATOM 1241 N ALA A 75 -0.071 3.534 8.065 1.00 0.00 N ATOM 1242 CA ALA A 75 1.348 3.597 7.776 1.00 0.00 C ATOM 1243 C ALA A 75 1.769 4.993 7.331 1.00 0.00 C ATOM 1244 O ALA A 75 2.721 5.556 7.877 1.00 0.00 O ATOM 1245 CB ALA A 75 1.723 2.564 6.732 1.00 0.00 C ATOM 0 H ALA A 75 -0.600 2.972 7.398 1.00 0.00 H new ATOM 0 HA ALA A 75 1.885 3.372 8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.792 2.625 6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.481 1.568 7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.166 2.755 5.815 1.00 0.00 H new ATOM 1251 N LEU A 76 1.064 5.558 6.346 1.00 0.00 N ATOM 1252 CA LEU A 76 1.345 6.898 5.870 1.00 0.00 C ATOM 1253 C LEU A 76 1.182 7.929 6.983 1.00 0.00 C ATOM 1254 O LEU A 76 2.028 8.816 7.167 1.00 0.00 O ATOM 1255 CB LEU A 76 0.434 7.254 4.701 1.00 0.00 C ATOM 1256 CG LEU A 76 0.715 6.628 3.336 1.00 0.00 C ATOM 1257 CD1 LEU A 76 2.081 6.985 2.832 1.00 0.00 C ATOM 1258 CD2 LEU A 76 0.518 5.139 3.305 1.00 0.00 C ATOM 0 H LEU A 76 0.291 5.097 5.866 1.00 0.00 H new ATOM 0 HA LEU A 76 2.382 6.916 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.585 6.989 4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.459 8.337 4.580 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.030 7.057 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.243 6.521 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.162 8.068 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.833 6.626 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.735 4.764 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.189 4.668 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.514 4.903 3.565 1.00 0.00 H new ATOM 1270 N ARG A 77 0.125 7.780 7.749 1.00 0.00 N ATOM 1271 CA ARG A 77 -0.174 8.694 8.838 1.00 0.00 C ATOM 1272 C ARG A 77 0.839 8.536 9.978 1.00 0.00 C ATOM 1273 O ARG A 77 1.191 9.501 10.665 1.00 0.00 O ATOM 1274 CB ARG A 77 -1.612 8.458 9.316 1.00 0.00 C ATOM 1275 CG ARG A 77 -2.062 9.353 10.458 1.00 0.00 C ATOM 1276 CD ARG A 77 -3.572 9.292 10.675 1.00 0.00 C ATOM 1277 NE ARG A 77 -4.096 7.923 10.861 1.00 0.00 N ATOM 1278 CZ ARG A 77 -4.789 7.508 11.943 1.00 0.00 C ATOM 1279 NH1 ARG A 77 -4.783 8.234 13.060 1.00 0.00 N ATOM 1280 NH2 ARG A 77 -5.439 6.344 11.918 1.00 0.00 N ATOM 0 H ARG A 77 -0.552 7.025 7.639 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.092 9.721 8.484 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.288 8.602 8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.709 7.418 9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.552 9.055 11.374 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.767 10.382 10.250 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.828 9.890 11.550 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.071 9.748 9.820 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.922 7.244 10.120 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.254 9.105 13.099 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.307 7.919 13.876 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.414 5.764 11.080 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.961 6.034 12.737 1.00 0.00 H new ATOM 1294 N GLY A 78 1.324 7.332 10.135 1.00 0.00 N ATOM 1295 CA GLY A 78 2.271 7.033 11.179 1.00 0.00 C ATOM 1296 C GLY A 78 3.689 7.452 10.851 1.00 0.00 C ATOM 1297 O GLY A 78 4.504 7.657 11.758 1.00 0.00 O ATOM 0 H GLY A 78 1.076 6.536 9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.957 7.531 12.096 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.254 5.961 11.377 1.00 0.00 H new ATOM 1301 N CYS A 79 4.016 7.546 9.581 1.00 0.00 N ATOM 1302 CA CYS A 79 5.349 7.965 9.208 1.00 0.00 C ATOM 1303 C CYS A 79 5.467 9.486 9.184 1.00 0.00 C ATOM 1304 O CYS A 79 5.965 10.077 10.150 1.00 0.00 O ATOM 1305 CB CYS A 79 5.834 7.301 7.905 1.00 0.00 C ATOM 1306 SG CYS A 79 4.702 7.430 6.510 1.00 0.00 S ATOM 0 H CYS A 79 3.390 7.342 8.802 1.00 0.00 H new ATOM 0 HA CYS A 79 6.029 7.610 9.983 1.00 0.00 H new ATOM 0 HB2 CYS A 79 6.787 7.748 7.621 1.00 0.00 H new ATOM 0 HB3 CYS A 79 6.023 6.246 8.102 1.00 0.00 H new ATOM 0 HG CYS A 79 3.628 8.062 6.880 1.00 0.00 H new ATOM 1312 N GLU A 80 4.991 10.119 8.121 1.00 0.00 N ATOM 1313 CA GLU A 80 5.040 11.583 8.003 1.00 0.00 C ATOM 1314 C GLU A 80 4.221 12.052 6.807 1.00 0.00 C ATOM 1315 O GLU A 80 4.323 13.207 6.377 1.00 0.00 O ATOM 1316 CB GLU A 80 6.503 12.072 7.859 1.00 0.00 C ATOM 1317 CG GLU A 80 7.209 11.564 6.614 1.00 0.00 C ATOM 1318 CD GLU A 80 8.653 12.012 6.520 1.00 0.00 C ATOM 1319 OE1 GLU A 80 8.913 13.226 6.346 1.00 0.00 O ATOM 1320 OE2 GLU A 80 9.561 11.155 6.564 1.00 0.00 O ATOM 0 H GLU A 80 4.565 9.648 7.323 1.00 0.00 H new ATOM 0 HA GLU A 80 4.614 12.008 8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.511 13.162 7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.067 11.758 8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.172 10.475 6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.670 11.910 5.732 1.00 0.00 H new ATOM 1327 N LEU A 81 3.364 11.189 6.312 1.00 0.00 N ATOM 1328 CA LEU A 81 2.677 11.451 5.077 1.00 0.00 C ATOM 1329 C LEU A 81 1.176 11.411 5.281 1.00 0.00 C ATOM 1330 O LEU A 81 0.503 10.435 4.953 1.00 0.00 O ATOM 1331 CB LEU A 81 3.141 10.440 4.033 1.00 0.00 C ATOM 1332 CG LEU A 81 4.659 10.435 3.786 1.00 0.00 C ATOM 1333 CD1 LEU A 81 5.081 9.209 3.021 1.00 0.00 C ATOM 1334 CD2 LEU A 81 5.084 11.687 3.040 1.00 0.00 C ATOM 0 H LEU A 81 3.128 10.298 6.750 1.00 0.00 H new ATOM 0 HA LEU A 81 2.917 12.453 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.833 9.443 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.632 10.648 3.092 1.00 0.00 H new ATOM 0 HG LEU A 81 5.153 10.419 4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.159 9.233 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.818 8.317 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.572 9.188 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.161 11.664 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.571 11.730 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.826 12.567 3.629 1.00 0.00 H new ATOM 1346 N VAL A 82 0.668 12.468 5.854 1.00 0.00 N ATOM 1347 CA VAL A 82 -0.741 12.585 6.187 1.00 0.00 C ATOM 1348 C VAL A 82 -1.545 12.856 4.915 1.00 0.00 C ATOM 1349 O VAL A 82 -2.712 12.455 4.791 1.00 0.00 O ATOM 1350 CB VAL A 82 -0.961 13.727 7.219 1.00 0.00 C ATOM 1351 CG1 VAL A 82 -2.411 13.801 7.673 1.00 0.00 C ATOM 1352 CG2 VAL A 82 -0.032 13.556 8.418 1.00 0.00 C ATOM 0 H VAL A 82 1.221 13.286 6.109 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.081 11.651 6.634 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.722 14.668 6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.526 14.611 8.394 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.053 13.988 6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.695 12.858 8.139 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.202 14.365 9.128 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.234 12.600 8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.004 13.580 8.082 1.00 0.00 H new ATOM 1362 N ASP A 83 -0.883 13.483 3.964 1.00 0.00 N ATOM 1363 CA ASP A 83 -1.454 13.815 2.662 1.00 0.00 C ATOM 1364 C ASP A 83 -1.773 12.549 1.881 1.00 0.00 C ATOM 1365 O ASP A 83 -2.916 12.348 1.460 1.00 0.00 O ATOM 1366 CB ASP A 83 -0.527 14.785 1.857 1.00 0.00 C ATOM 1367 CG ASP A 83 0.894 14.268 1.599 1.00 0.00 C ATOM 1368 OD1 ASP A 83 1.400 13.428 2.391 1.00 0.00 O ATOM 1369 OD2 ASP A 83 1.542 14.715 0.628 1.00 0.00 O ATOM 0 H ASP A 83 0.086 13.784 4.070 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.391 14.347 2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.998 14.999 0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.460 15.729 2.397 1.00 0.00 H new ATOM 1374 N LEU A 84 -0.789 11.675 1.747 1.00 0.00 N ATOM 1375 CA LEU A 84 -0.976 10.387 1.077 1.00 0.00 C ATOM 1376 C LEU A 84 -1.954 9.508 1.851 1.00 0.00 C ATOM 1377 O LEU A 84 -2.758 8.782 1.255 1.00 0.00 O ATOM 1378 CB LEU A 84 0.360 9.669 0.910 1.00 0.00 C ATOM 1379 CG LEU A 84 1.341 10.273 -0.101 1.00 0.00 C ATOM 1380 CD1 LEU A 84 2.698 9.657 0.090 1.00 0.00 C ATOM 1381 CD2 LEU A 84 0.882 9.997 -1.518 1.00 0.00 C ATOM 0 H LEU A 84 0.157 11.831 2.095 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.394 10.580 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.852 9.633 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.159 8.639 0.616 1.00 0.00 H new ATOM 0 HG LEU A 84 1.385 11.350 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.397 10.086 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.050 9.858 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.634 8.580 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.591 10.433 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.827 8.920 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.102 10.438 -1.674 1.00 0.00 H new ATOM 1393 N ALA A 85 -1.900 9.596 3.182 1.00 0.00 N ATOM 1394 CA ALA A 85 -2.799 8.837 4.045 1.00 0.00 C ATOM 1395 C ALA A 85 -4.240 9.215 3.775 1.00 0.00 C ATOM 1396 O ALA A 85 -5.102 8.351 3.662 1.00 0.00 O ATOM 1397 CB ALA A 85 -2.475 9.070 5.513 1.00 0.00 C ATOM 0 H ALA A 85 -1.239 10.189 3.684 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.658 7.779 3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.160 8.492 6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.451 8.755 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.581 10.130 5.745 1.00 0.00 H new ATOM 1403 N ASP A 86 -4.482 10.508 3.638 1.00 0.00 N ATOM 1404 CA ASP A 86 -5.821 11.034 3.383 1.00 0.00 C ATOM 1405 C ASP A 86 -6.339 10.581 2.037 1.00 0.00 C ATOM 1406 O ASP A 86 -7.527 10.233 1.900 1.00 0.00 O ATOM 1407 CB ASP A 86 -5.835 12.556 3.456 1.00 0.00 C ATOM 1408 CG ASP A 86 -7.188 13.138 3.108 1.00 0.00 C ATOM 1409 OD1 ASP A 86 -8.121 13.106 3.958 1.00 0.00 O ATOM 1410 OD2 ASP A 86 -7.352 13.630 1.985 1.00 0.00 O ATOM 0 H ASP A 86 -3.760 11.225 3.700 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.477 10.640 4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.554 12.871 4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.084 12.957 2.775 1.00 0.00 H new ATOM 1415 N GLU A 87 -5.450 10.562 1.056 1.00 0.00 N ATOM 1416 CA GLU A 87 -5.776 10.137 -0.264 1.00 0.00 C ATOM 1417 C GLU A 87 -6.256 8.683 -0.272 1.00 0.00 C ATOM 1418 O GLU A 87 -7.332 8.389 -0.789 1.00 0.00 O ATOM 1419 CB GLU A 87 -4.589 10.351 -1.198 1.00 0.00 C ATOM 1420 CG GLU A 87 -4.213 11.816 -1.383 1.00 0.00 C ATOM 1421 CD GLU A 87 -3.239 12.048 -2.512 1.00 0.00 C ATOM 1422 OE1 GLU A 87 -2.022 11.944 -2.308 1.00 0.00 O ATOM 1423 OE2 GLU A 87 -3.694 12.353 -3.645 1.00 0.00 O ATOM 0 H GLU A 87 -4.477 10.847 1.172 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.602 10.746 -0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.727 9.810 -0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.821 9.919 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.118 12.395 -1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.779 12.192 -0.456 1.00 0.00 H new ATOM 1430 N VAL A 88 -5.501 7.787 0.365 1.00 0.00 N ATOM 1431 CA VAL A 88 -5.888 6.374 0.423 1.00 0.00 C ATOM 1432 C VAL A 88 -7.151 6.214 1.281 1.00 0.00 C ATOM 1433 O VAL A 88 -8.055 5.422 0.957 1.00 0.00 O ATOM 1434 CB VAL A 88 -4.759 5.482 1.008 1.00 0.00 C ATOM 1435 CG1 VAL A 88 -5.134 4.009 0.934 1.00 0.00 C ATOM 1436 CG2 VAL A 88 -3.451 5.723 0.286 1.00 0.00 C ATOM 0 H VAL A 88 -4.628 8.009 0.843 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.080 6.049 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.632 5.754 2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.326 3.407 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.046 3.837 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.298 3.727 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.676 5.087 0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.570 5.488 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.163 6.769 0.395 1.00 0.00 H new ATOM 1446 N ALA A 89 -7.222 7.007 2.344 1.00 0.00 N ATOM 1447 CA ALA A 89 -8.346 6.990 3.262 1.00 0.00 C ATOM 1448 C ALA A 89 -9.633 7.363 2.567 1.00 0.00 C ATOM 1449 O ALA A 89 -10.677 6.827 2.884 1.00 0.00 O ATOM 1450 CB ALA A 89 -8.103 7.912 4.439 1.00 0.00 C ATOM 0 H ALA A 89 -6.497 7.681 2.591 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.443 5.970 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.961 7.879 5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.210 7.590 4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.962 8.931 4.080 1.00 0.00 H new ATOM 1456 N SER A 90 -9.547 8.266 1.615 1.00 0.00 N ATOM 1457 CA SER A 90 -10.697 8.705 0.865 1.00 0.00 C ATOM 1458 C SER A 90 -11.190 7.584 -0.051 1.00 0.00 C ATOM 1459 O SER A 90 -12.405 7.306 -0.128 1.00 0.00 O ATOM 1460 CB SER A 90 -10.337 9.940 0.035 1.00 0.00 C ATOM 1461 OG SER A 90 -11.469 10.450 -0.648 1.00 0.00 O ATOM 0 H SER A 90 -8.674 8.716 1.341 1.00 0.00 H new ATOM 0 HA SER A 90 -11.494 8.964 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.925 10.711 0.686 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.560 9.683 -0.685 1.00 0.00 H new ATOM 0 HG SER A 90 -11.209 11.239 -1.168 1.00 0.00 H new ATOM 1467 N VAL A 91 -10.247 6.922 -0.707 1.00 0.00 N ATOM 1468 CA VAL A 91 -10.548 5.871 -1.667 1.00 0.00 C ATOM 1469 C VAL A 91 -11.275 4.723 -0.997 1.00 0.00 C ATOM 1470 O VAL A 91 -12.396 4.403 -1.358 1.00 0.00 O ATOM 1471 CB VAL A 91 -9.266 5.329 -2.353 1.00 0.00 C ATOM 1472 CG1 VAL A 91 -9.607 4.279 -3.404 1.00 0.00 C ATOM 1473 CG2 VAL A 91 -8.472 6.455 -2.975 1.00 0.00 C ATOM 0 H VAL A 91 -9.250 7.100 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.187 6.316 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.654 4.856 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.689 3.917 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.127 3.446 -2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.249 4.722 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.578 6.051 -3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.083 6.961 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.182 7.166 -2.202 1.00 0.00 H new ATOM 1483 N TYR A 92 -10.682 4.176 0.033 1.00 0.00 N ATOM 1484 CA TYR A 92 -11.246 3.007 0.689 1.00 0.00 C ATOM 1485 C TYR A 92 -12.413 3.396 1.621 1.00 0.00 C ATOM 1486 O TYR A 92 -13.041 2.564 2.255 1.00 0.00 O ATOM 1487 CB TYR A 92 -10.145 2.259 1.424 1.00 0.00 C ATOM 1488 CG TYR A 92 -10.500 0.844 1.839 1.00 0.00 C ATOM 1489 CD1 TYR A 92 -10.475 -0.197 0.917 1.00 0.00 C ATOM 1490 CD2 TYR A 92 -10.844 0.554 3.143 1.00 0.00 C ATOM 1491 CE1 TYR A 92 -10.789 -1.491 1.289 1.00 0.00 C ATOM 1492 CE2 TYR A 92 -11.157 -0.736 3.529 1.00 0.00 C ATOM 1493 CZ TYR A 92 -11.127 -1.755 2.595 1.00 0.00 C ATOM 1494 OH TYR A 92 -11.441 -3.051 2.976 1.00 0.00 O ATOM 0 H TYR A 92 -9.810 4.515 0.441 1.00 0.00 H new ATOM 0 HA TYR A 92 -11.667 2.340 -0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.262 2.224 0.786 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.873 2.826 2.315 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.205 0.009 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.869 1.348 3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.769 -2.287 0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.423 -0.947 4.554 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.656 -3.068 3.932 1.00 0.00 H new ATOM 1504 N GLN A 93 -12.672 4.672 1.730 1.00 0.00 N ATOM 1505 CA GLN A 93 -13.847 5.118 2.450 1.00 0.00 C ATOM 1506 C GLN A 93 -14.997 5.250 1.453 1.00 0.00 C ATOM 1507 O GLN A 93 -16.160 5.272 1.817 1.00 0.00 O ATOM 1508 CB GLN A 93 -13.587 6.430 3.184 1.00 0.00 C ATOM 1509 CG GLN A 93 -14.633 6.789 4.228 1.00 0.00 C ATOM 1510 CD GLN A 93 -14.247 8.001 5.063 1.00 0.00 C ATOM 1511 OE1 GLN A 93 -13.530 8.926 4.478 1.00 0.00 O flip ATOM 1512 NE2 GLN A 93 -14.621 8.107 6.230 1.00 0.00 N flip ATOM 0 H GLN A 93 -12.097 5.417 1.337 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.109 4.387 3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.613 6.373 3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -13.532 7.236 2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -15.583 6.985 3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -14.789 5.935 4.887 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -15.179 7.367 6.656 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.373 8.935 6.772 1.00 0.00 H new ATOM 1521 N SER A 94 -14.651 5.325 0.190 1.00 0.00 N ATOM 1522 CA SER A 94 -15.633 5.361 -0.859 1.00 0.00 C ATOM 1523 C SER A 94 -15.907 3.931 -1.327 1.00 0.00 C ATOM 1524 O SER A 94 -17.022 3.584 -1.700 1.00 0.00 O ATOM 1525 CB SER A 94 -15.128 6.232 -2.010 1.00 0.00 C ATOM 1526 OG SER A 94 -14.816 7.550 -1.547 1.00 0.00 O ATOM 0 H SER A 94 -13.685 5.362 -0.135 1.00 0.00 H new ATOM 0 HA SER A 94 -16.563 5.796 -0.492 1.00 0.00 H new ATOM 0 HB2 SER A 94 -14.242 5.778 -2.455 1.00 0.00 H new ATOM 0 HB3 SER A 94 -15.886 6.286 -2.792 1.00 0.00 H new ATOM 0 HG SER A 94 -13.978 7.528 -1.039 1.00 0.00 H new ATOM 1532 N TYR A 95 -14.876 3.115 -1.291 1.00 0.00 N ATOM 1533 CA TYR A 95 -14.970 1.719 -1.631 1.00 0.00 C ATOM 1534 C TYR A 95 -14.928 0.897 -0.369 1.00 0.00 C ATOM 1535 O TYR A 95 -13.868 0.575 0.145 1.00 0.00 O ATOM 1536 CB TYR A 95 -13.879 1.321 -2.654 1.00 0.00 C ATOM 1537 CG TYR A 95 -13.980 2.116 -3.952 1.00 0.00 C ATOM 1538 CD1 TYR A 95 -13.356 3.351 -4.091 1.00 0.00 C ATOM 1539 CD2 TYR A 95 -14.727 1.645 -5.024 1.00 0.00 C ATOM 1540 CE1 TYR A 95 -13.476 4.091 -5.245 1.00 0.00 C ATOM 1541 CE2 TYR A 95 -14.845 2.377 -6.189 1.00 0.00 C ATOM 1542 CZ TYR A 95 -14.222 3.601 -6.290 1.00 0.00 C ATOM 1543 OH TYR A 95 -14.342 4.332 -7.445 1.00 0.00 O ATOM 0 H TYR A 95 -13.938 3.410 -1.021 1.00 0.00 H new ATOM 0 HA TYR A 95 -15.922 1.520 -2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -12.895 1.477 -2.211 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -13.963 0.257 -2.875 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -12.764 3.738 -3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -15.224 0.690 -4.945 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -12.987 5.050 -5.329 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -15.423 1.992 -7.016 1.00 0.00 H new ATOM 0 HH TYR A 95 -14.901 3.844 -8.085 1.00 0.00 H new ATOM 1553 N GLN A 96 -16.123 0.646 0.143 1.00 0.00 N ATOM 1554 CA GLN A 96 -16.388 -0.112 1.362 1.00 0.00 C ATOM 1555 C GLN A 96 -15.747 0.464 2.626 1.00 0.00 C ATOM 1556 O GLN A 96 -14.701 -0.007 3.081 1.00 0.00 O ATOM 1557 CB GLN A 96 -16.126 -1.616 1.218 1.00 0.00 C ATOM 1558 CG GLN A 96 -16.997 -2.275 0.160 1.00 0.00 C ATOM 1559 CD GLN A 96 -16.887 -3.788 0.128 1.00 0.00 C ATOM 1560 OE1 GLN A 96 -15.752 -4.331 0.496 1.00 0.00 O flip ATOM 1561 NE2 GLN A 96 -17.848 -4.474 -0.222 1.00 0.00 N flip ATOM 0 H GLN A 96 -16.978 0.981 -0.300 1.00 0.00 H new ATOM 0 HA GLN A 96 -17.462 0.006 1.505 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -15.077 -1.773 0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -16.300 -2.103 2.178 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -18.037 -2.000 0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -16.724 -1.880 -0.819 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -18.720 -4.025 -0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -17.772 -5.491 -0.230 1.00 0.00 H new ATOM 1570 N PRO A 97 -16.374 1.511 3.218 1.00 0.00 N ATOM 1571 CA PRO A 97 -15.913 2.102 4.487 1.00 0.00 C ATOM 1572 C PRO A 97 -16.440 1.294 5.670 1.00 0.00 C ATOM 1573 O PRO A 97 -16.123 1.552 6.834 1.00 0.00 O ATOM 1574 CB PRO A 97 -16.573 3.477 4.477 1.00 0.00 C ATOM 1575 CG PRO A 97 -17.852 3.259 3.743 1.00 0.00 C ATOM 1576 CD PRO A 97 -17.559 2.233 2.681 1.00 0.00 C ATOM 0 HA PRO A 97 -14.827 2.131 4.579 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.751 3.842 5.489 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -15.947 4.216 3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -18.633 2.908 4.418 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.209 4.188 3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -18.403 1.561 2.527 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.344 2.700 1.720 1.00 0.00 H new ATOM 1584 N ARG A 98 -17.266 0.342 5.345 1.00 0.00 N ATOM 1585 CA ARG A 98 -17.904 -0.516 6.280 1.00 0.00 C ATOM 1586 C ARG A 98 -17.434 -1.909 5.980 1.00 0.00 C ATOM 1587 O ARG A 98 -16.616 -2.103 5.072 1.00 0.00 O ATOM 1588 CB ARG A 98 -19.409 -0.456 6.057 1.00 0.00 C ATOM 1589 CG ARG A 98 -19.999 0.937 6.086 1.00 0.00 C ATOM 1590 CD ARG A 98 -21.453 0.918 5.670 1.00 0.00 C ATOM 1591 NE ARG A 98 -21.631 0.321 4.338 1.00 0.00 N ATOM 1592 CZ ARG A 98 -22.116 0.947 3.264 1.00 0.00 C ATOM 1593 NH1 ARG A 98 -22.355 2.258 3.294 1.00 0.00 N ATOM 1594 NH2 ARG A 98 -22.307 0.262 2.148 1.00 0.00 N ATOM 0 H ARG A 98 -17.519 0.140 4.378 1.00 0.00 H new ATOM 0 HA ARG A 98 -17.673 -0.225 7.305 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -19.638 -0.913 5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -19.900 -1.059 6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -19.909 1.353 7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -19.435 1.589 5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -22.033 0.355 6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -21.844 1.935 5.668 1.00 0.00 H new ATOM 0 HE ARG A 98 -21.360 -0.656 4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -22.167 2.791 4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -22.726 2.728 2.468 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -22.084 -0.733 2.116 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -22.677 0.729 1.320 1.00 0.00 H new ATOM 1608 N THR A 99 -17.939 -2.871 6.691 1.00 0.00 N ATOM 1609 CA THR A 99 -17.623 -4.236 6.394 1.00 0.00 C ATOM 1610 C THR A 99 -18.371 -4.597 5.105 1.00 0.00 C ATOM 1611 O THR A 99 -17.835 -5.247 4.211 1.00 0.00 O ATOM 1612 CB THR A 99 -18.073 -5.137 7.546 1.00 0.00 C ATOM 1613 OG1 THR A 99 -17.697 -4.504 8.787 1.00 0.00 O ATOM 1614 CG2 THR A 99 -17.397 -6.504 7.457 1.00 0.00 C ATOM 0 H THR A 99 -18.571 -2.737 7.480 1.00 0.00 H new ATOM 0 HA THR A 99 -16.549 -4.374 6.266 1.00 0.00 H new ATOM 0 HB THR A 99 -19.152 -5.281 7.493 1.00 0.00 H new ATOM 0 HG1 THR A 99 -17.979 -5.066 9.539 1.00 0.00 H new ATOM 0 HG21 THR A 99 -17.730 -7.129 8.285 1.00 0.00 H new ATOM 0 HG22 THR A 99 -17.662 -6.980 6.513 1.00 0.00 H new ATOM 0 HG23 THR A 99 -16.315 -6.379 7.509 1.00 0.00 H new ATOM 1622 N SER A 100 -19.590 -4.112 5.015 1.00 0.00 N ATOM 1623 CA SER A 100 -20.421 -4.258 3.861 1.00 0.00 C ATOM 1624 C SER A 100 -21.167 -2.931 3.658 1.00 0.00 C ATOM 1625 O SER A 100 -22.131 -2.666 4.387 1.00 0.00 O ATOM 1626 CB SER A 100 -21.402 -5.426 4.063 1.00 0.00 C ATOM 1627 OG SER A 100 -20.698 -6.642 4.360 1.00 0.00 O ATOM 1628 OXT SER A 100 -20.760 -2.119 2.805 1.00 0.00 O ATOM 0 H SER A 100 -20.035 -3.591 5.771 1.00 0.00 H new ATOM 0 HA SER A 100 -19.826 -4.485 2.976 1.00 0.00 H new ATOM 0 HB2 SER A 100 -22.090 -5.192 4.875 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.004 -5.560 3.164 1.00 0.00 H new ATOM 0 HG SER A 100 -21.342 -7.370 4.486 1.00 0.00 H new TER 1634 SER A 100