USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 ASN : amide:sc= 0.818 K(o=1.8,f=-2.7) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -165:sc= 0.942 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.18) USER MOD Single : A 18 ASN : amide:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -96:sc= 1.26 USER MOD Single : A 28 GLN : amide:sc= 0.724 K(o=0.72,f=-0.021) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -172:sc= -0.413 (180deg=-0.452) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0692 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.309 11.751 -4.997 1.00 0.00 N ATOM 35 CA LEU A 3 -9.277 12.112 -5.969 1.00 0.00 C ATOM 36 C LEU A 3 -9.569 11.625 -7.407 1.00 0.00 C ATOM 37 O LEU A 3 -10.572 10.963 -7.696 1.00 0.00 O ATOM 38 CB LEU A 3 -7.931 11.551 -5.452 1.00 0.00 C ATOM 39 CG LEU A 3 -7.364 12.220 -4.189 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.970 11.664 -3.881 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.245 13.729 -4.378 1.00 0.00 C ATOM 0 HA LEU A 3 -9.248 13.199 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.057 10.487 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.193 11.640 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.048 12.009 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.577 12.144 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.035 10.588 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.305 11.864 -4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.842 14.179 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.579 13.939 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.230 14.149 -4.584 1.00 0.00 H new ATOM 52 N THR A 4 -8.680 12.003 -8.328 1.00 0.00 N ATOM 53 CA THR A 4 -8.774 11.722 -9.777 1.00 0.00 C ATOM 54 C THR A 4 -8.494 10.247 -10.118 1.00 0.00 C ATOM 55 O THR A 4 -8.482 9.380 -9.240 1.00 0.00 O ATOM 56 CB THR A 4 -7.863 12.663 -10.587 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.509 12.395 -10.302 1.00 0.00 O ATOM 58 CG2 THR A 4 -8.137 14.139 -10.303 1.00 0.00 C ATOM 0 H THR A 4 -7.843 12.532 -8.085 1.00 0.00 H new ATOM 0 HA THR A 4 -9.808 11.916 -10.064 1.00 0.00 H new ATOM 0 HB THR A 4 -8.081 12.473 -11.638 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.939 12.998 -10.824 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.466 14.755 -10.901 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.170 14.373 -10.559 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.971 14.343 -9.245 1.00 0.00 H new ATOM 66 N GLN A 5 -8.258 9.932 -11.400 1.00 0.00 N ATOM 67 CA GLN A 5 -7.833 8.607 -11.872 1.00 0.00 C ATOM 68 C GLN A 5 -6.623 8.020 -11.118 1.00 0.00 C ATOM 69 O GLN A 5 -6.464 6.798 -11.068 1.00 0.00 O ATOM 70 CB GLN A 5 -7.574 8.663 -13.386 1.00 0.00 C ATOM 71 CG GLN A 5 -6.370 9.524 -13.809 1.00 0.00 C ATOM 72 CD GLN A 5 -6.190 9.519 -15.326 1.00 0.00 C ATOM 73 OE1 GLN A 5 -5.428 8.739 -15.888 1.00 0.00 O ATOM 74 NE2 GLN A 5 -6.873 10.380 -16.053 1.00 0.00 N ATOM 0 H GLN A 5 -8.360 10.609 -12.156 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.651 7.920 -11.657 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.421 7.647 -13.751 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.467 9.048 -13.878 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.512 10.547 -13.461 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.465 9.147 -13.332 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.511 11.036 -15.602 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.764 10.391 -17.067 1.00 0.00 H new ATOM 81 N GLY A 6 -5.792 8.870 -10.498 1.00 0.00 N ATOM 82 CA GLY A 6 -4.770 8.429 -9.552 1.00 0.00 C ATOM 83 C GLY A 6 -3.930 9.550 -8.950 1.00 0.00 C ATOM 84 O GLY A 6 -2.707 9.446 -8.982 1.00 0.00 O ATOM 0 H GLY A 6 -5.813 9.880 -10.641 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.255 7.883 -8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.106 7.727 -10.057 1.00 0.00 H new ATOM 88 N GLU A 7 -4.528 10.608 -8.382 1.00 0.00 N ATOM 89 CA GLU A 7 -3.808 11.756 -7.816 1.00 0.00 C ATOM 90 C GLU A 7 -2.929 11.415 -6.605 1.00 0.00 C ATOM 91 O GLU A 7 -2.058 12.196 -6.241 1.00 0.00 O ATOM 92 CB GLU A 7 -4.800 12.889 -7.474 1.00 0.00 C ATOM 93 CG GLU A 7 -4.430 14.123 -8.306 1.00 0.00 C ATOM 94 CD GLU A 7 -5.315 15.365 -8.073 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.642 15.694 -6.907 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.637 16.065 -9.064 1.00 0.00 O ATOM 0 H GLU A 7 -5.542 10.690 -8.302 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.116 12.090 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.822 12.577 -7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.758 13.122 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.395 14.389 -8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.477 13.856 -9.362 1.00 0.00 H new ATOM 101 N LEU A 8 -3.097 10.229 -6.019 1.00 0.00 N ATOM 102 CA LEU A 8 -2.163 9.657 -5.044 1.00 0.00 C ATOM 103 C LEU A 8 -1.303 8.514 -5.622 1.00 0.00 C ATOM 104 O LEU A 8 -0.231 8.225 -5.097 1.00 0.00 O ATOM 105 CB LEU A 8 -2.954 9.272 -3.781 1.00 0.00 C ATOM 106 CG LEU A 8 -3.841 8.014 -3.919 1.00 0.00 C ATOM 107 CD1 LEU A 8 -3.148 6.826 -3.247 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.216 8.162 -3.270 1.00 0.00 C ATOM 0 H LEU A 8 -3.898 9.628 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.422 10.408 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.249 9.113 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.586 10.113 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.983 7.863 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.773 5.938 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.186 6.647 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.991 7.046 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.783 7.241 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.096 8.361 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.751 8.990 -3.735 1.00 0.00 H new ATOM 119 N MET A 9 -1.720 7.893 -6.729 1.00 0.00 N ATOM 120 CA MET A 9 -1.069 6.746 -7.373 1.00 0.00 C ATOM 121 C MET A 9 0.226 7.169 -8.066 1.00 0.00 C ATOM 122 O MET A 9 1.311 6.691 -7.736 1.00 0.00 O ATOM 123 CB MET A 9 -2.078 6.056 -8.328 1.00 0.00 C ATOM 124 CG MET A 9 -1.516 5.571 -9.664 1.00 0.00 C ATOM 125 SD MET A 9 -2.613 4.455 -10.580 1.00 0.00 S ATOM 126 CE MET A 9 -1.546 4.077 -11.996 1.00 0.00 C ATOM 0 H MET A 9 -2.561 8.190 -7.225 1.00 0.00 H new ATOM 0 HA MET A 9 -0.775 6.014 -6.621 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.513 5.202 -7.809 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.891 6.754 -8.531 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.297 6.438 -10.288 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.570 5.062 -9.482 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.065 3.396 -12.671 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.304 4.998 -12.526 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.627 3.609 -11.644 1.00 0.00 H new ATOM 134 N LYS A 10 0.128 8.096 -9.018 1.00 0.00 N ATOM 135 CA LYS A 10 1.241 8.537 -9.875 1.00 0.00 C ATOM 136 C LYS A 10 2.224 9.486 -9.157 1.00 0.00 C ATOM 137 O LYS A 10 3.019 10.172 -9.800 1.00 0.00 O ATOM 138 CB LYS A 10 0.634 9.072 -11.193 1.00 0.00 C ATOM 139 CG LYS A 10 -0.252 10.320 -11.020 1.00 0.00 C ATOM 140 CD LYS A 10 -1.394 10.418 -12.038 1.00 0.00 C ATOM 141 CE LYS A 10 -2.021 11.814 -11.961 1.00 0.00 C ATOM 142 NZ LYS A 10 -3.069 11.995 -12.996 1.00 0.00 N ATOM 0 H LYS A 10 -0.748 8.577 -9.224 1.00 0.00 H new ATOM 0 HA LYS A 10 1.891 7.697 -10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.444 9.308 -11.883 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.042 8.281 -11.654 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.674 10.317 -10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.372 11.210 -11.102 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.017 10.231 -13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.146 9.657 -11.832 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.454 11.966 -10.972 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.246 12.570 -12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.474 12.950 -12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.649 11.874 -13.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.819 11.289 -12.857 1.00 0.00 H new ATOM 152 N LEU A 11 2.144 9.532 -7.820 1.00 0.00 N ATOM 153 CA LEU A 11 2.802 10.440 -6.884 1.00 0.00 C ATOM 154 C LEU A 11 3.559 9.666 -5.810 1.00 0.00 C ATOM 155 O LEU A 11 4.675 10.061 -5.469 1.00 0.00 O ATOM 156 CB LEU A 11 1.779 11.357 -6.178 1.00 0.00 C ATOM 157 CG LEU A 11 1.122 12.466 -7.016 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.169 13.377 -7.651 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.250 11.904 -8.130 1.00 0.00 C ATOM 0 H LEU A 11 1.556 8.864 -7.322 1.00 0.00 H new ATOM 0 HA LEU A 11 3.496 11.043 -7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.987 10.728 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.278 11.827 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 11 0.501 13.033 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.672 14.150 -8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.768 13.843 -6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.816 12.789 -8.302 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.193 12.725 -8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.859 11.293 -8.796 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.542 11.292 -7.698 1.00 0.00 H new ATOM 170 N ILE A 12 3.005 8.558 -5.291 1.00 0.00 N ATOM 171 CA ILE A 12 3.694 7.812 -4.225 1.00 0.00 C ATOM 172 C ILE A 12 5.033 7.245 -4.705 1.00 0.00 C ATOM 173 O ILE A 12 6.004 7.238 -3.950 1.00 0.00 O ATOM 174 CB ILE A 12 2.825 6.695 -3.621 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.113 5.812 -4.669 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.796 7.274 -2.644 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.176 4.345 -4.245 1.00 0.00 C ATOM 0 H ILE A 12 2.109 8.168 -5.581 1.00 0.00 H new ATOM 0 HA ILE A 12 3.888 8.536 -3.433 1.00 0.00 H new ATOM 0 HB ILE A 12 3.520 6.044 -3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.074 6.124 -4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.584 5.938 -5.644 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.193 6.466 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.313 7.792 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.149 7.976 -3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.672 3.729 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.218 4.034 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.684 4.224 -3.280 1.00 0.00 H new ATOM 188 N LYS A 13 5.128 6.846 -5.980 1.00 0.00 N ATOM 189 CA LYS A 13 6.392 6.347 -6.569 1.00 0.00 C ATOM 190 C LYS A 13 7.315 7.463 -7.066 1.00 0.00 C ATOM 191 O LYS A 13 8.511 7.265 -7.250 1.00 0.00 O ATOM 192 CB LYS A 13 6.082 5.299 -7.654 1.00 0.00 C ATOM 193 CG LYS A 13 5.217 5.768 -8.838 1.00 0.00 C ATOM 194 CD LYS A 13 6.001 6.427 -9.983 1.00 0.00 C ATOM 195 CE LYS A 13 5.038 6.823 -11.106 1.00 0.00 C ATOM 196 NZ LYS A 13 5.765 7.425 -12.250 1.00 0.00 N ATOM 0 H LYS A 13 4.344 6.857 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 13 6.960 5.863 -5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.028 4.928 -8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.581 4.455 -7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.672 4.911 -9.235 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.474 6.476 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.529 7.307 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.756 5.739 -10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.488 5.945 -11.443 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.303 7.532 -10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.091 7.652 -13.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.242 8.295 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.472 6.750 -12.606 1.00 0.00 H new ATOM 206 N GLU A 14 6.764 8.656 -7.249 1.00 0.00 N ATOM 207 CA GLU A 14 7.368 9.816 -7.918 1.00 0.00 C ATOM 208 C GLU A 14 7.982 10.803 -6.912 1.00 0.00 C ATOM 209 O GLU A 14 8.798 11.645 -7.292 1.00 0.00 O ATOM 210 CB GLU A 14 6.282 10.489 -8.777 1.00 0.00 C ATOM 211 CG GLU A 14 6.803 11.433 -9.870 1.00 0.00 C ATOM 212 CD GLU A 14 7.667 10.708 -10.920 1.00 0.00 C ATOM 213 OE1 GLU A 14 7.183 9.727 -11.538 1.00 0.00 O ATOM 214 OE2 GLU A 14 8.832 11.119 -11.147 1.00 0.00 O ATOM 0 H GLU A 14 5.822 8.859 -6.915 1.00 0.00 H new ATOM 0 HA GLU A 14 8.191 9.484 -8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.680 9.711 -9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.619 11.051 -8.120 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.957 11.908 -10.367 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.390 12.228 -9.409 1.00 0.00 H new ATOM 219 N ILE A 15 7.655 10.658 -5.621 1.00 0.00 N ATOM 220 CA ILE A 15 8.344 11.306 -4.510 1.00 0.00 C ATOM 221 C ILE A 15 9.251 10.286 -3.818 1.00 0.00 C ATOM 222 O ILE A 15 10.437 10.556 -3.654 1.00 0.00 O ATOM 223 CB ILE A 15 7.358 12.009 -3.549 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.448 11.034 -2.765 1.00 0.00 C ATOM 225 CG2 ILE A 15 6.508 13.041 -4.309 1.00 0.00 C ATOM 226 CD1 ILE A 15 6.948 10.846 -1.330 1.00 0.00 C ATOM 0 H ILE A 15 6.880 10.068 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 15 8.976 12.108 -4.892 1.00 0.00 H new ATOM 0 HB ILE A 15 7.973 12.515 -2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.427 11.416 -2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.420 10.070 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.820 13.526 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.160 13.791 -4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.941 12.539 -5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.289 10.156 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.960 10.440 -1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.951 11.808 -0.817 1.00 0.00 H new ATOM 237 N VAL A 16 8.760 9.086 -3.471 1.00 0.00 N ATOM 238 CA VAL A 16 9.542 8.142 -2.664 1.00 0.00 C ATOM 239 C VAL A 16 10.786 7.676 -3.414 1.00 0.00 C ATOM 240 O VAL A 16 11.862 7.587 -2.818 1.00 0.00 O ATOM 241 CB VAL A 16 8.718 6.921 -2.214 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.600 5.920 -1.463 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.585 7.324 -1.268 1.00 0.00 C ATOM 0 H VAL A 16 7.834 8.750 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 16 9.844 8.686 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 16 8.307 6.475 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.998 5.065 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.403 5.581 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.027 6.400 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.026 6.437 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.003 7.802 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.918 8.021 -1.775 1.00 0.00 H new ATOM 253 N GLU A 17 10.676 7.434 -4.727 1.00 0.00 N ATOM 254 CA GLU A 17 11.853 7.012 -5.511 1.00 0.00 C ATOM 255 C GLU A 17 12.722 8.204 -5.957 1.00 0.00 C ATOM 256 O GLU A 17 13.705 8.023 -6.680 1.00 0.00 O ATOM 257 CB GLU A 17 11.473 6.094 -6.683 1.00 0.00 C ATOM 258 CG GLU A 17 10.682 4.861 -6.219 1.00 0.00 C ATOM 259 CD GLU A 17 10.703 3.752 -7.284 1.00 0.00 C ATOM 260 OE1 GLU A 17 10.033 3.882 -8.338 1.00 0.00 O ATOM 261 OE2 GLU A 17 11.397 2.728 -7.057 1.00 0.00 O ATOM 0 H GLU A 17 9.811 7.519 -5.261 1.00 0.00 H new ATOM 0 HA GLU A 17 12.472 6.417 -4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.879 6.655 -7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.378 5.771 -7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.106 4.483 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.651 5.146 -6.007 1.00 0.00 H new ATOM 266 N ASN A 18 12.389 9.422 -5.509 1.00 0.00 N ATOM 267 CA ASN A 18 13.091 10.660 -5.815 1.00 0.00 C ATOM 268 C ASN A 18 13.769 11.302 -4.588 1.00 0.00 C ATOM 269 O ASN A 18 14.635 12.165 -4.747 1.00 0.00 O ATOM 270 CB ASN A 18 12.076 11.609 -6.471 1.00 0.00 C ATOM 271 CG ASN A 18 12.723 12.425 -7.565 1.00 0.00 C ATOM 272 OD1 ASN A 18 12.907 13.633 -7.477 1.00 0.00 O ATOM 273 ND2 ASN A 18 13.085 11.764 -8.639 1.00 0.00 N ATOM 0 H ASN A 18 11.586 9.570 -4.897 1.00 0.00 H new ATOM 0 HA ASN A 18 13.916 10.445 -6.494 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.249 11.032 -6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.656 12.274 -5.717 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.527 12.256 -9.416 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.925 10.758 -8.697 1.00 0.00 H new ATOM 279 N GLU A 19 13.401 10.881 -3.372 1.00 0.00 N ATOM 280 CA GLU A 19 13.935 11.400 -2.108 1.00 0.00 C ATOM 281 C GLU A 19 15.177 10.625 -1.662 1.00 0.00 C ATOM 282 O GLU A 19 16.303 11.052 -1.931 1.00 0.00 O ATOM 283 CB GLU A 19 12.836 11.380 -1.030 1.00 0.00 C ATOM 284 CG GLU A 19 11.716 12.403 -1.250 1.00 0.00 C ATOM 285 CD GLU A 19 12.200 13.848 -1.040 1.00 0.00 C ATOM 286 OE1 GLU A 19 12.393 14.254 0.132 1.00 0.00 O ATOM 287 OE2 GLU A 19 12.385 14.589 -2.037 1.00 0.00 O ATOM 0 H GLU A 19 12.704 10.149 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 19 14.250 12.432 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.398 10.382 -0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.294 11.564 -0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.322 12.297 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.895 12.193 -0.565 1.00 0.00 H new ATOM 292 N ASP A 20 14.991 9.488 -0.988 1.00 0.00 N ATOM 293 CA ASP A 20 16.075 8.644 -0.507 1.00 0.00 C ATOM 294 C ASP A 20 15.811 7.160 -0.770 1.00 0.00 C ATOM 295 O ASP A 20 15.179 6.445 0.015 1.00 0.00 O ATOM 296 CB ASP A 20 16.369 8.936 0.966 1.00 0.00 C ATOM 297 CG ASP A 20 17.822 8.603 1.315 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.378 7.641 0.732 1.00 0.00 O ATOM 299 OD2 ASP A 20 18.429 9.323 2.139 1.00 0.00 O ATOM 0 H ASP A 20 14.065 9.126 -0.760 1.00 0.00 H new ATOM 0 HA ASP A 20 16.971 8.890 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.173 9.987 1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.698 8.353 1.596 1.00 0.00 H new ATOM 303 N LYS A 21 16.367 6.688 -1.884 1.00 0.00 N ATOM 304 CA LYS A 21 16.430 5.270 -2.282 1.00 0.00 C ATOM 305 C LYS A 21 17.105 4.345 -1.250 1.00 0.00 C ATOM 306 O LYS A 21 16.934 3.127 -1.337 1.00 0.00 O ATOM 307 CB LYS A 21 17.136 5.163 -3.643 1.00 0.00 C ATOM 308 CG LYS A 21 16.343 5.834 -4.779 1.00 0.00 C ATOM 309 CD LYS A 21 17.041 5.621 -6.130 1.00 0.00 C ATOM 310 CE LYS A 21 16.247 6.303 -7.247 1.00 0.00 C ATOM 311 NZ LYS A 21 16.899 6.122 -8.568 1.00 0.00 N ATOM 0 H LYS A 21 16.807 7.304 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 21 15.400 4.918 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.122 5.623 -3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 21 17.291 4.112 -3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.334 5.423 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.245 6.901 -4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.052 6.026 -6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.132 4.555 -6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.238 5.893 -7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.152 7.367 -7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.335 6.596 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.853 6.535 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.967 5.107 -8.786 1.00 0.00 H new ATOM 321 N ARG A 22 17.817 4.901 -0.258 1.00 0.00 N ATOM 322 CA ARG A 22 18.385 4.193 0.905 1.00 0.00 C ATOM 323 C ARG A 22 17.846 4.655 2.276 1.00 0.00 C ATOM 324 O ARG A 22 18.304 4.132 3.296 1.00 0.00 O ATOM 325 CB ARG A 22 19.923 4.072 0.814 1.00 0.00 C ATOM 326 CG ARG A 22 20.754 5.364 0.737 1.00 0.00 C ATOM 327 CD ARG A 22 20.805 5.962 -0.681 1.00 0.00 C ATOM 328 NE ARG A 22 21.894 6.946 -0.830 1.00 0.00 N ATOM 329 CZ ARG A 22 21.897 8.212 -0.457 1.00 0.00 C ATOM 330 NH1 ARG A 22 20.886 8.771 0.142 1.00 0.00 N ATOM 331 NH2 ARG A 22 22.943 8.958 -0.678 1.00 0.00 N ATOM 0 H ARG A 22 18.023 5.900 -0.242 1.00 0.00 H new ATOM 0 HA ARG A 22 18.005 3.173 0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 22 20.264 3.509 1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.158 3.473 -0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 22 20.334 6.101 1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 22 21.769 5.157 1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 22 20.940 5.160 -1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.852 6.440 -0.907 1.00 0.00 H new ATOM 0 HE ARG A 22 22.747 6.607 -1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.047 8.227 0.341 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.933 9.753 0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 22 23.762 8.564 -1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 22 22.942 9.936 -0.389 1.00 0.00 H new ATOM 342 N LYS A 23 16.810 5.513 2.324 1.00 0.00 N ATOM 343 CA LYS A 23 15.941 5.755 3.502 1.00 0.00 C ATOM 344 C LYS A 23 14.460 5.924 3.071 1.00 0.00 C ATOM 345 O LYS A 23 13.977 7.058 2.974 1.00 0.00 O ATOM 346 CB LYS A 23 16.437 6.957 4.340 1.00 0.00 C ATOM 347 CG LYS A 23 17.811 6.731 4.995 1.00 0.00 C ATOM 348 CD LYS A 23 18.199 7.847 5.977 1.00 0.00 C ATOM 349 CE LYS A 23 18.452 9.175 5.253 1.00 0.00 C ATOM 350 NZ LYS A 23 18.867 10.243 6.196 1.00 0.00 N ATOM 0 H LYS A 23 16.542 6.079 1.519 1.00 0.00 H new ATOM 0 HA LYS A 23 15.999 4.877 4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.490 7.837 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.705 7.173 5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.803 5.777 5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.571 6.659 4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.404 7.978 6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.095 7.555 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.225 9.036 4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.547 9.483 4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.029 11.126 5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.118 10.393 6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.745 9.960 6.677 1.00 0.00 H new ATOM 360 N PRO A 24 13.728 4.826 2.790 1.00 0.00 N ATOM 361 CA PRO A 24 12.375 4.873 2.228 1.00 0.00 C ATOM 362 C PRO A 24 11.314 5.360 3.237 1.00 0.00 C ATOM 363 O PRO A 24 11.528 5.334 4.454 1.00 0.00 O ATOM 364 CB PRO A 24 12.093 3.431 1.781 1.00 0.00 C ATOM 365 CG PRO A 24 12.871 2.601 2.801 1.00 0.00 C ATOM 366 CD PRO A 24 14.119 3.444 3.030 1.00 0.00 C ATOM 0 HA PRO A 24 12.318 5.591 1.410 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.027 3.202 1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.438 3.248 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.305 2.455 3.721 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.115 1.611 2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.493 3.317 4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.920 3.144 2.355 1.00 0.00 H new ATOM 371 N TYR A 25 10.140 5.747 2.727 1.00 0.00 N ATOM 372 CA TYR A 25 8.926 6.014 3.517 1.00 0.00 C ATOM 373 C TYR A 25 8.070 4.738 3.672 1.00 0.00 C ATOM 374 O TYR A 25 8.342 3.699 3.061 1.00 0.00 O ATOM 375 CB TYR A 25 8.099 7.142 2.870 1.00 0.00 C ATOM 376 CG TYR A 25 8.800 8.477 2.670 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.690 8.668 1.595 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.517 9.554 3.534 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.304 9.917 1.380 1.00 0.00 C ATOM 380 CE2 TYR A 25 9.155 10.795 3.350 1.00 0.00 C ATOM 381 CZ TYR A 25 10.048 10.982 2.276 1.00 0.00 C ATOM 382 OH TYR A 25 10.643 12.195 2.116 1.00 0.00 O ATOM 0 H TYR A 25 10.001 5.888 1.726 1.00 0.00 H new ATOM 0 HA TYR A 25 9.236 6.334 4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.749 6.793 1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.215 7.311 3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.904 7.846 0.927 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.809 9.427 4.339 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.965 10.061 0.538 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.959 11.607 4.035 1.00 0.00 H new ATOM 0 HH TYR A 25 10.346 12.801 2.826 1.00 0.00 H new ATOM 391 N SER A 26 6.986 4.832 4.443 1.00 0.00 N ATOM 392 CA SER A 26 6.025 3.757 4.726 1.00 0.00 C ATOM 393 C SER A 26 4.604 4.252 4.470 1.00 0.00 C ATOM 394 O SER A 26 4.394 5.448 4.268 1.00 0.00 O ATOM 395 CB SER A 26 6.180 3.261 6.170 1.00 0.00 C ATOM 396 OG SER A 26 5.982 4.311 7.101 1.00 0.00 O ATOM 0 H SER A 26 6.739 5.703 4.913 1.00 0.00 H new ATOM 0 HA SER A 26 6.227 2.917 4.061 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.463 2.463 6.361 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.174 2.835 6.305 1.00 0.00 H new ATOM 0 HG SER A 26 6.849 4.690 7.356 1.00 0.00 H new ATOM 401 N ASP A 27 3.619 3.361 4.473 1.00 0.00 N ATOM 402 CA ASP A 27 2.220 3.686 4.214 1.00 0.00 C ATOM 403 C ASP A 27 1.634 4.763 5.155 1.00 0.00 C ATOM 404 O ASP A 27 0.875 5.618 4.703 1.00 0.00 O ATOM 405 CB ASP A 27 1.376 2.403 4.134 1.00 0.00 C ATOM 406 CG ASP A 27 1.318 1.511 5.393 1.00 0.00 C ATOM 407 OD1 ASP A 27 1.739 1.926 6.498 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.732 0.405 5.293 1.00 0.00 O ATOM 0 H ASP A 27 3.774 2.370 4.660 1.00 0.00 H new ATOM 0 HA ASP A 27 2.179 4.166 3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.356 2.686 3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.758 1.799 3.311 1.00 0.00 H new ATOM 412 N GLN A 28 2.037 4.826 6.428 1.00 0.00 N ATOM 413 CA GLN A 28 1.719 5.955 7.298 1.00 0.00 C ATOM 414 C GLN A 28 2.446 7.225 6.828 1.00 0.00 C ATOM 415 O GLN A 28 1.828 8.278 6.665 1.00 0.00 O ATOM 416 CB GLN A 28 2.060 5.588 8.754 1.00 0.00 C ATOM 417 CG GLN A 28 1.982 6.774 9.732 1.00 0.00 C ATOM 418 CD GLN A 28 0.607 7.452 9.787 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.264 7.080 10.565 1.00 0.00 O ATOM 420 NE2 GLN A 28 0.357 8.469 8.987 1.00 0.00 N ATOM 0 H GLN A 28 2.590 4.098 6.880 1.00 0.00 H new ATOM 0 HA GLN A 28 0.652 6.172 7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.378 4.807 9.091 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.066 5.169 8.786 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.243 6.425 10.731 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.729 7.515 9.448 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.071 8.791 8.334 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.550 8.934 9.021 1.00 0.00 H new ATOM 427 N GLU A 29 3.762 7.171 6.637 1.00 0.00 N ATOM 428 CA GLU A 29 4.555 8.351 6.331 1.00 0.00 C ATOM 429 C GLU A 29 4.133 9.015 5.017 1.00 0.00 C ATOM 430 O GLU A 29 3.821 10.205 5.027 1.00 0.00 O ATOM 431 CB GLU A 29 6.035 7.976 6.360 1.00 0.00 C ATOM 432 CG GLU A 29 6.527 7.618 7.768 1.00 0.00 C ATOM 433 CD GLU A 29 7.951 7.044 7.714 1.00 0.00 C ATOM 434 OE1 GLU A 29 8.103 5.880 7.269 1.00 0.00 O ATOM 435 OE2 GLU A 29 8.915 7.742 8.117 1.00 0.00 O ATOM 0 H GLU A 29 4.304 6.309 6.691 1.00 0.00 H new ATOM 0 HA GLU A 29 4.375 9.108 7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.204 7.130 5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.624 8.808 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.511 8.505 8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.853 6.891 8.221 1.00 0.00 H new ATOM 440 N ILE A 30 4.026 8.268 3.911 1.00 0.00 N ATOM 441 CA ILE A 30 3.509 8.799 2.642 1.00 0.00 C ATOM 442 C ILE A 30 2.082 9.329 2.781 1.00 0.00 C ATOM 443 O ILE A 30 1.795 10.391 2.235 1.00 0.00 O ATOM 444 CB ILE A 30 3.653 7.820 1.457 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.718 6.596 1.549 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.122 7.418 1.304 1.00 0.00 C ATOM 447 CD1 ILE A 30 3.032 5.458 0.568 1.00 0.00 C ATOM 0 H ILE A 30 4.293 7.285 3.869 1.00 0.00 H new ATOM 0 HA ILE A 30 4.148 9.648 2.398 1.00 0.00 H new ATOM 0 HB ILE A 30 3.330 8.342 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.761 6.201 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.694 6.928 1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.225 6.727 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.725 8.307 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.464 6.934 2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.319 4.646 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.958 5.828 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.042 5.090 0.748 1.00 0.00 H new ATOM 458 N ALA A 31 1.212 8.678 3.564 1.00 0.00 N ATOM 459 CA ALA A 31 -0.158 9.187 3.757 1.00 0.00 C ATOM 460 C ALA A 31 -0.163 10.583 4.412 1.00 0.00 C ATOM 461 O ALA A 31 -1.002 11.432 4.096 1.00 0.00 O ATOM 462 CB ALA A 31 -0.958 8.207 4.624 1.00 0.00 C ATOM 0 H ALA A 31 1.423 7.815 4.066 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.621 9.277 2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.970 8.587 4.764 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.000 7.236 4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.473 8.100 5.594 1.00 0.00 H new ATOM 468 N ASN A 32 0.788 10.825 5.317 1.00 0.00 N ATOM 469 CA ASN A 32 0.922 12.069 6.063 1.00 0.00 C ATOM 470 C ASN A 32 1.363 13.245 5.183 1.00 0.00 C ATOM 471 O ASN A 32 0.701 14.278 5.168 1.00 0.00 O ATOM 472 CB ASN A 32 1.885 11.828 7.230 1.00 0.00 C ATOM 473 CG ASN A 32 1.980 13.029 8.153 1.00 0.00 C ATOM 474 OD1 ASN A 32 1.041 13.369 8.861 1.00 0.00 O ATOM 475 ND2 ASN A 32 3.100 13.716 8.178 1.00 0.00 N ATOM 0 H ASN A 32 1.504 10.139 5.555 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.056 12.359 6.448 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.553 10.960 7.799 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.875 11.593 6.839 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.185 14.530 8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.884 13.435 7.589 1.00 0.00 H new ATOM 481 N ILE A 33 2.458 13.112 4.429 1.00 0.00 N ATOM 482 CA ILE A 33 2.995 14.207 3.587 1.00 0.00 C ATOM 483 C ILE A 33 2.015 14.591 2.470 1.00 0.00 C ATOM 484 O ILE A 33 1.890 15.760 2.101 1.00 0.00 O ATOM 485 CB ILE A 33 4.344 13.803 2.968 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.345 13.300 4.032 1.00 0.00 C ATOM 487 CG2 ILE A 33 4.998 14.931 2.160 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.870 11.943 3.588 1.00 0.00 C ATOM 0 H ILE A 33 3.001 12.250 4.379 1.00 0.00 H new ATOM 0 HA ILE A 33 3.138 15.072 4.234 1.00 0.00 H new ATOM 0 HB ILE A 33 4.105 12.988 2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.167 14.007 4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.858 13.220 5.004 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.946 14.582 1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.337 15.226 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.177 15.788 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.580 11.568 4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.039 11.244 3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.368 12.043 2.624 1.00 0.00 H new ATOM 499 N LEU A 34 1.264 13.612 1.962 1.00 0.00 N ATOM 500 CA LEU A 34 0.215 13.780 0.953 1.00 0.00 C ATOM 501 C LEU A 34 -0.943 14.647 1.460 1.00 0.00 C ATOM 502 O LEU A 34 -1.630 15.297 0.666 1.00 0.00 O ATOM 503 CB LEU A 34 -0.254 12.379 0.515 1.00 0.00 C ATOM 504 CG LEU A 34 0.495 11.784 -0.698 1.00 0.00 C ATOM 505 CD1 LEU A 34 2.005 12.049 -0.707 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.244 10.277 -0.765 1.00 0.00 C ATOM 0 H LEU A 34 1.374 12.641 2.254 1.00 0.00 H new ATOM 0 HA LEU A 34 0.617 14.316 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.146 11.697 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.317 12.427 0.278 1.00 0.00 H new ATOM 0 HG LEU A 34 0.095 12.293 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.449 11.596 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.186 13.124 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.456 11.616 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.773 9.858 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.605 9.807 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.825 10.091 -0.872 1.00 0.00 H new ATOM 517 N LYS A 35 -1.123 14.733 2.780 1.00 0.00 N ATOM 518 CA LYS A 35 -2.145 15.599 3.393 1.00 0.00 C ATOM 519 C LYS A 35 -1.707 17.064 3.474 1.00 0.00 C ATOM 520 O LYS A 35 -2.545 17.943 3.684 1.00 0.00 O ATOM 521 CB LYS A 35 -2.566 15.001 4.753 1.00 0.00 C ATOM 522 CG LYS A 35 -1.970 15.721 5.977 1.00 0.00 C ATOM 523 CD LYS A 35 -2.019 14.856 7.239 1.00 0.00 C ATOM 524 CE LYS A 35 -1.490 15.662 8.429 1.00 0.00 C ATOM 525 NZ LYS A 35 -1.325 14.815 9.634 1.00 0.00 N ATOM 0 H LYS A 35 -0.569 14.208 3.456 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.024 15.622 2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.653 15.026 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.268 13.953 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.936 15.995 5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.516 16.648 6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.042 14.531 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.420 13.956 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.533 16.112 8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.177 16.479 8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.214 15.421 10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.164 14.211 9.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.481 14.217 9.525 1.00 0.00 H new ATOM 535 N GLU A 36 -0.413 17.341 3.294 1.00 0.00 N ATOM 536 CA GLU A 36 0.153 18.690 3.403 1.00 0.00 C ATOM 537 C GLU A 36 0.089 19.451 2.072 1.00 0.00 C ATOM 538 O GLU A 36 0.310 20.667 2.057 1.00 0.00 O ATOM 539 CB GLU A 36 1.605 18.634 3.914 1.00 0.00 C ATOM 540 CG GLU A 36 1.742 17.915 5.263 1.00 0.00 C ATOM 541 CD GLU A 36 3.144 18.129 5.861 1.00 0.00 C ATOM 542 OE1 GLU A 36 4.094 17.400 5.480 1.00 0.00 O ATOM 543 OE2 GLU A 36 3.311 19.029 6.722 1.00 0.00 O ATOM 0 H GLU A 36 0.280 16.628 3.066 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.456 19.234 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.225 18.127 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.989 19.649 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.987 18.286 5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.557 16.849 5.132 1.00 0.00 H new ATOM 548 N LYS A 37 -0.223 18.762 0.958 1.00 0.00 N ATOM 549 CA LYS A 37 -0.184 19.343 -0.395 1.00 0.00 C ATOM 550 C LYS A 37 -1.467 19.174 -1.211 1.00 0.00 C ATOM 551 O LYS A 37 -1.737 20.034 -2.054 1.00 0.00 O ATOM 552 CB LYS A 37 1.080 18.859 -1.112 1.00 0.00 C ATOM 553 CG LYS A 37 1.153 17.329 -1.224 1.00 0.00 C ATOM 554 CD LYS A 37 2.521 16.879 -1.751 1.00 0.00 C ATOM 555 CE LYS A 37 3.540 16.960 -0.611 1.00 0.00 C ATOM 556 NZ LYS A 37 4.932 16.790 -1.103 1.00 0.00 N ATOM 0 H LYS A 37 -0.510 17.783 0.973 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.131 20.426 -0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.114 19.294 -2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.957 19.222 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.971 16.881 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.368 16.972 -1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.462 15.860 -2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.833 17.513 -2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.447 17.923 -0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.319 16.191 0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.593 16.851 -0.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.027 15.861 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.151 17.539 -1.791 1.00 0.00 H new ATOM 566 N GLY A 38 -2.318 18.184 -0.910 1.00 0.00 N ATOM 567 CA GLY A 38 -3.753 18.311 -1.201 1.00 0.00 C ATOM 568 C GLY A 38 -4.537 17.005 -1.275 1.00 0.00 C ATOM 569 O GLY A 38 -5.735 17.033 -1.562 1.00 0.00 O ATOM 0 H GLY A 38 -2.046 17.303 -0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.205 18.940 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.866 18.834 -2.150 1.00 0.00 H new ATOM 573 N PHE A 39 -3.887 15.859 -1.050 1.00 0.00 N ATOM 574 CA PHE A 39 -4.474 14.558 -1.350 1.00 0.00 C ATOM 575 C PHE A 39 -5.259 13.976 -0.176 1.00 0.00 C ATOM 576 O PHE A 39 -6.191 13.200 -0.395 1.00 0.00 O ATOM 577 CB PHE A 39 -3.370 13.592 -1.782 1.00 0.00 C ATOM 578 CG PHE A 39 -2.486 14.149 -2.871 1.00 0.00 C ATOM 579 CD1 PHE A 39 -3.002 14.315 -4.169 1.00 0.00 C ATOM 580 CD2 PHE A 39 -1.172 14.561 -2.576 1.00 0.00 C ATOM 581 CE1 PHE A 39 -2.211 14.898 -5.171 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.374 15.115 -3.592 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.891 15.292 -4.889 1.00 0.00 C ATOM 0 H PHE A 39 -2.947 15.811 -0.658 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.189 14.699 -2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.756 13.342 -0.917 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.824 12.664 -2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.008 13.993 -4.395 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.780 14.452 -1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.617 15.044 -6.161 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.643 15.407 -3.376 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.277 15.728 -5.663 1.00 0.00 H new ATOM 592 N LYS A 40 -4.869 14.365 1.051 1.00 0.00 N ATOM 593 CA LYS A 40 -5.319 13.920 2.384 1.00 0.00 C ATOM 594 C LYS A 40 -5.813 12.467 2.429 1.00 0.00 C ATOM 595 O LYS A 40 -6.812 12.151 3.082 1.00 0.00 O ATOM 596 CB LYS A 40 -6.291 14.961 2.975 1.00 0.00 C ATOM 597 CG LYS A 40 -7.501 15.234 2.066 1.00 0.00 C ATOM 598 CD LYS A 40 -8.800 15.510 2.832 1.00 0.00 C ATOM 599 CE LYS A 40 -9.300 14.244 3.539 1.00 0.00 C ATOM 600 NZ LYS A 40 -10.545 14.504 4.307 1.00 0.00 N ATOM 0 H LYS A 40 -4.148 15.081 1.144 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.451 13.879 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.644 14.612 3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.755 15.894 3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.278 16.089 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.652 14.376 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.633 16.299 3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.563 15.872 2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.483 13.462 2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.527 13.873 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.855 13.627 4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.363 15.232 5.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.289 14.835 3.660 1.00 0.00 H new ATOM 610 N VAL A 41 -5.100 11.586 1.724 1.00 0.00 N ATOM 611 CA VAL A 41 -5.447 10.161 1.612 1.00 0.00 C ATOM 612 C VAL A 41 -4.914 9.417 2.849 1.00 0.00 C ATOM 613 O VAL A 41 -3.816 9.691 3.341 1.00 0.00 O ATOM 614 CB VAL A 41 -5.005 9.526 0.275 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.531 9.841 -0.031 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.130 7.999 0.283 1.00 0.00 C ATOM 0 H VAL A 41 -4.257 11.840 1.209 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.533 10.068 1.594 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.667 9.953 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.250 9.381 -0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.396 10.921 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.901 9.445 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.807 7.602 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.503 7.587 1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.169 7.720 0.460 1.00 0.00 H new ATOM 626 N ALA A 42 -5.704 8.488 3.370 1.00 0.00 N ATOM 627 CA ALA A 42 -5.436 7.646 4.517 1.00 0.00 C ATOM 628 C ALA A 42 -4.465 6.505 4.178 1.00 0.00 C ATOM 629 O ALA A 42 -4.355 6.037 3.036 1.00 0.00 O ATOM 630 CB ALA A 42 -6.777 7.088 5.020 1.00 0.00 C ATOM 0 H ALA A 42 -6.620 8.292 2.966 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.954 8.240 5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.603 6.449 5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.431 7.913 5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.249 6.506 4.228 1.00 0.00 H new ATOM 636 N ARG A 43 -3.820 5.975 5.216 1.00 0.00 N ATOM 637 CA ARG A 43 -2.849 4.875 5.143 1.00 0.00 C ATOM 638 C ARG A 43 -3.414 3.600 4.513 1.00 0.00 C ATOM 639 O ARG A 43 -2.682 2.861 3.864 1.00 0.00 O ATOM 640 CB ARG A 43 -2.248 4.666 6.546 1.00 0.00 C ATOM 641 CG ARG A 43 -1.398 3.392 6.691 1.00 0.00 C ATOM 642 CD ARG A 43 -2.231 2.177 7.142 1.00 0.00 C ATOM 643 NE ARG A 43 -1.710 0.933 6.553 1.00 0.00 N ATOM 644 CZ ARG A 43 -2.349 -0.186 6.289 1.00 0.00 C ATOM 645 NH1 ARG A 43 -3.557 -0.416 6.710 1.00 0.00 N ATOM 646 NH2 ARG A 43 -1.754 -1.098 5.585 1.00 0.00 N ATOM 0 H ARG A 43 -3.962 6.310 6.169 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.048 5.150 4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.632 5.530 6.796 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.059 4.632 7.274 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.920 3.167 5.738 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.601 3.571 7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.214 2.104 8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.271 2.315 6.848 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.718 0.939 6.317 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.045 0.285 7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.017 -1.298 6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.805 -0.942 5.245 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.235 -1.972 5.371 1.00 0.00 H new ATOM 657 N ARG A 44 -4.718 3.355 4.652 1.00 0.00 N ATOM 658 CA ARG A 44 -5.401 2.138 4.191 1.00 0.00 C ATOM 659 C ARG A 44 -5.368 2.028 2.670 1.00 0.00 C ATOM 660 O ARG A 44 -5.210 0.944 2.113 1.00 0.00 O ATOM 661 CB ARG A 44 -6.853 2.165 4.702 1.00 0.00 C ATOM 662 CG ARG A 44 -7.002 1.651 6.147 1.00 0.00 C ATOM 663 CD ARG A 44 -6.561 2.648 7.232 1.00 0.00 C ATOM 664 NE ARG A 44 -6.632 2.038 8.577 1.00 0.00 N ATOM 665 CZ ARG A 44 -7.264 2.474 9.655 1.00 0.00 C ATOM 666 NH1 ARG A 44 -7.961 3.569 9.691 1.00 0.00 N ATOM 667 NH2 ARG A 44 -7.223 1.785 10.759 1.00 0.00 N ATOM 0 H ARG A 44 -5.350 4.017 5.102 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.885 1.264 4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.231 3.186 4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.474 1.559 4.043 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.045 1.386 6.318 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.419 0.736 6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.542 2.979 7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.196 3.533 7.197 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.124 1.161 8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.045 4.148 8.855 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.425 3.850 10.555 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.703 0.908 10.794 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.711 2.122 11.589 1.00 0.00 H new ATOM 678 N THR A 45 -5.500 3.169 2.006 1.00 0.00 N ATOM 679 CA THR A 45 -5.565 3.370 0.577 1.00 0.00 C ATOM 680 C THR A 45 -4.168 3.388 0.001 1.00 0.00 C ATOM 681 O THR A 45 -3.850 2.656 -0.936 1.00 0.00 O ATOM 682 CB THR A 45 -6.198 4.750 0.341 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.279 5.026 1.216 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.644 4.912 -1.096 1.00 0.00 C ATOM 0 H THR A 45 -5.570 4.055 2.507 1.00 0.00 H new ATOM 0 HA THR A 45 -6.141 2.573 0.107 1.00 0.00 H new ATOM 0 HB THR A 45 -5.414 5.475 0.558 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.639 5.916 1.020 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.087 5.899 -1.230 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.784 4.807 -1.758 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.382 4.147 -1.336 1.00 0.00 H new ATOM 692 N VAL A 46 -3.325 4.234 0.592 1.00 0.00 N ATOM 693 CA VAL A 46 -1.998 4.532 0.093 1.00 0.00 C ATOM 694 C VAL A 46 -1.100 3.290 0.142 1.00 0.00 C ATOM 695 O VAL A 46 -0.220 3.111 -0.702 1.00 0.00 O ATOM 696 CB VAL A 46 -1.424 5.734 0.867 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.531 5.329 2.031 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.625 6.654 -0.049 1.00 0.00 C ATOM 0 H VAL A 46 -3.557 4.738 1.448 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.049 4.814 -0.959 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.294 6.256 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.160 6.223 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.104 4.727 2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.311 4.747 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.234 7.492 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.203 6.099 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.272 7.030 -0.841 1.00 0.00 H new ATOM 708 N ALA A 47 -1.374 2.397 1.104 1.00 0.00 N ATOM 709 CA ALA A 47 -0.715 1.120 1.274 1.00 0.00 C ATOM 710 C ALA A 47 -0.967 0.230 0.060 1.00 0.00 C ATOM 711 O ALA A 47 -0.034 -0.267 -0.574 1.00 0.00 O ATOM 712 CB ALA A 47 -1.261 0.442 2.537 1.00 0.00 C ATOM 0 H ALA A 47 -2.093 2.564 1.808 1.00 0.00 H new ATOM 0 HA ALA A 47 0.359 1.277 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.770 -0.522 2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.066 1.075 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.335 0.290 2.433 1.00 0.00 H new ATOM 718 N LYS A 48 -2.254 0.077 -0.285 1.00 0.00 N ATOM 719 CA LYS A 48 -2.697 -0.836 -1.338 1.00 0.00 C ATOM 720 C LYS A 48 -2.349 -0.338 -2.745 1.00 0.00 C ATOM 721 O LYS A 48 -2.453 -1.094 -3.712 1.00 0.00 O ATOM 722 CB LYS A 48 -4.192 -1.133 -1.127 1.00 0.00 C ATOM 723 CG LYS A 48 -4.336 -2.291 -0.122 1.00 0.00 C ATOM 724 CD LYS A 48 -5.789 -2.662 0.201 1.00 0.00 C ATOM 725 CE LYS A 48 -6.414 -1.673 1.189 1.00 0.00 C ATOM 726 NZ LYS A 48 -7.778 -2.100 1.587 1.00 0.00 N ATOM 0 H LYS A 48 -3.016 0.587 0.163 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.149 -1.775 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.703 -0.245 -0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.661 -1.397 -2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.828 -3.169 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.827 -2.021 0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.374 -2.679 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.824 -3.668 0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.783 -1.592 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.458 -0.682 0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.176 -1.411 2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.385 -2.154 0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.731 -3.035 2.040 1.00 0.00 H new ATOM 736 N TYR A 49 -1.885 0.909 -2.866 1.00 0.00 N ATOM 737 CA TYR A 49 -1.447 1.511 -4.122 1.00 0.00 C ATOM 738 C TYR A 49 0.007 1.206 -4.444 1.00 0.00 C ATOM 739 O TYR A 49 0.285 0.775 -5.567 1.00 0.00 O ATOM 740 CB TYR A 49 -1.739 3.014 -4.121 1.00 0.00 C ATOM 741 CG TYR A 49 -3.144 3.324 -4.607 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.227 2.457 -4.338 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.334 4.436 -5.442 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.469 2.661 -4.963 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.580 4.661 -6.054 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.636 3.750 -5.841 1.00 0.00 C ATOM 747 OH TYR A 49 -6.832 3.961 -6.436 1.00 0.00 O ATOM 0 H TYR A 49 -1.803 1.542 -2.070 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.024 1.054 -4.926 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.610 3.407 -3.113 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.015 3.524 -4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.100 1.635 -3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.519 5.123 -5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.291 1.987 -4.771 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.728 5.526 -6.683 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.777 4.754 -7.009 1.00 0.00 H new ATOM 756 N ARG A 50 0.935 1.332 -3.481 1.00 0.00 N ATOM 757 CA ARG A 50 2.347 0.968 -3.734 1.00 0.00 C ATOM 758 C ARG A 50 2.510 -0.473 -4.238 1.00 0.00 C ATOM 759 O ARG A 50 3.428 -0.744 -5.008 1.00 0.00 O ATOM 760 CB ARG A 50 3.287 1.326 -2.557 1.00 0.00 C ATOM 761 CG ARG A 50 2.915 0.815 -1.156 1.00 0.00 C ATOM 762 CD ARG A 50 4.077 0.925 -0.145 1.00 0.00 C ATOM 763 NE ARG A 50 4.729 2.253 -0.143 1.00 0.00 N ATOM 764 CZ ARG A 50 5.781 2.628 0.567 1.00 0.00 C ATOM 765 NH1 ARG A 50 6.320 1.900 1.494 1.00 0.00 N ATOM 766 NH2 ARG A 50 6.346 3.782 0.356 1.00 0.00 N ATOM 0 H ARG A 50 0.744 1.675 -2.539 1.00 0.00 H new ATOM 0 HA ARG A 50 2.677 1.599 -4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.281 0.949 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.361 2.412 -2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.062 1.382 -0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.600 -0.226 -1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.700 0.712 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.822 0.163 -0.374 1.00 0.00 H new ATOM 0 HE ARG A 50 4.322 2.958 -0.757 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.933 0.981 1.711 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.131 2.246 2.007 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.978 4.406 -0.362 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.156 4.062 0.909 1.00 0.00 H new ATOM 777 N GLU A 51 1.546 -1.344 -3.931 1.00 0.00 N ATOM 778 CA GLU A 51 1.484 -2.731 -4.414 1.00 0.00 C ATOM 779 C GLU A 51 1.353 -2.828 -5.946 1.00 0.00 C ATOM 780 O GLU A 51 2.083 -3.587 -6.591 1.00 0.00 O ATOM 781 CB GLU A 51 0.307 -3.457 -3.735 1.00 0.00 C ATOM 782 CG GLU A 51 0.294 -4.964 -4.053 1.00 0.00 C ATOM 783 CD GLU A 51 -0.871 -5.730 -3.391 1.00 0.00 C ATOM 784 OE1 GLU A 51 -1.973 -5.159 -3.197 1.00 0.00 O ATOM 785 OE2 GLU A 51 -0.718 -6.953 -3.143 1.00 0.00 O ATOM 0 H GLU A 51 0.764 -1.100 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 51 2.427 -3.210 -4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.368 -3.315 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.632 -3.010 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.237 -5.097 -5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.237 -5.403 -3.727 1.00 0.00 H new ATOM 790 N MET A 52 0.399 -2.094 -6.529 1.00 0.00 N ATOM 791 CA MET A 52 0.007 -2.234 -7.941 1.00 0.00 C ATOM 792 C MET A 52 0.892 -1.432 -8.910 1.00 0.00 C ATOM 793 O MET A 52 1.025 -1.808 -10.078 1.00 0.00 O ATOM 794 CB MET A 52 -1.480 -1.887 -8.127 1.00 0.00 C ATOM 795 CG MET A 52 -1.807 -0.402 -7.932 1.00 0.00 C ATOM 796 SD MET A 52 -3.533 0.033 -8.262 1.00 0.00 S ATOM 797 CE MET A 52 -3.409 1.825 -8.028 1.00 0.00 C ATOM 0 H MET A 52 -0.130 -1.378 -6.031 1.00 0.00 H new ATOM 0 HA MET A 52 0.162 -3.281 -8.200 1.00 0.00 H new ATOM 0 HB2 MET A 52 -1.789 -2.187 -9.128 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.069 -2.473 -7.422 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.563 -0.120 -6.908 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.165 0.188 -8.586 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.406 2.265 -8.049 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.941 2.035 -7.066 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.805 2.255 -8.827 1.00 0.00 H new ATOM 805 N LEU A 53 1.506 -0.342 -8.435 1.00 0.00 N ATOM 806 CA LEU A 53 2.410 0.509 -9.212 1.00 0.00 C ATOM 807 C LEU A 53 3.745 -0.187 -9.511 1.00 0.00 C ATOM 808 O LEU A 53 4.105 -0.358 -10.679 1.00 0.00 O ATOM 809 CB LEU A 53 2.591 1.834 -8.458 1.00 0.00 C ATOM 810 CG LEU A 53 1.424 2.788 -8.778 1.00 0.00 C ATOM 811 CD1 LEU A 53 0.957 3.506 -7.517 1.00 0.00 C ATOM 812 CD2 LEU A 53 1.923 3.788 -9.815 1.00 0.00 C ATOM 0 H LEU A 53 1.384 -0.021 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 53 1.972 0.712 -10.189 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.635 1.648 -7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.537 2.296 -8.741 1.00 0.00 H new ATOM 0 HG LEU A 53 0.571 2.232 -9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.133 4.175 -7.763 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.622 2.773 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.782 4.085 -7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.121 4.482 -10.067 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.768 4.343 -9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.237 3.255 -10.713 1.00 0.00 H new ATOM 823 N GLY A 54 4.464 -0.612 -8.468 1.00 0.00 N ATOM 824 CA GLY A 54 5.686 -1.416 -8.637 1.00 0.00 C ATOM 825 C GLY A 54 6.503 -1.766 -7.385 1.00 0.00 C ATOM 826 O GLY A 54 7.597 -2.320 -7.522 1.00 0.00 O ATOM 0 H GLY A 54 4.224 -0.415 -7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.405 -2.350 -9.123 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.343 -0.883 -9.325 1.00 0.00 H new ATOM 830 N ILE A 55 6.029 -1.438 -6.179 1.00 0.00 N ATOM 831 CA ILE A 55 6.798 -1.517 -4.926 1.00 0.00 C ATOM 832 C ILE A 55 6.332 -2.696 -4.037 1.00 0.00 C ATOM 833 O ILE A 55 5.128 -2.868 -3.825 1.00 0.00 O ATOM 834 CB ILE A 55 6.708 -0.146 -4.214 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.606 0.878 -4.945 1.00 0.00 C ATOM 836 CG2 ILE A 55 7.085 -0.203 -2.725 1.00 0.00 C ATOM 837 CD1 ILE A 55 7.099 2.318 -4.798 1.00 0.00 C ATOM 0 H ILE A 55 5.076 -1.101 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 55 7.845 -1.729 -5.144 1.00 0.00 H new ATOM 0 HB ILE A 55 5.663 0.162 -4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.620 0.812 -4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.657 0.621 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.000 0.793 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.412 -0.885 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.111 -0.557 -2.623 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.767 2.995 -5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.095 2.395 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.074 2.589 -3.743 1.00 0.00 H new ATOM 848 N PRO A 56 7.261 -3.499 -3.473 1.00 0.00 N ATOM 849 CA PRO A 56 6.952 -4.492 -2.443 1.00 0.00 C ATOM 850 C PRO A 56 6.595 -3.783 -1.124 1.00 0.00 C ATOM 851 O PRO A 56 5.444 -3.795 -0.684 1.00 0.00 O ATOM 852 CB PRO A 56 8.188 -5.395 -2.363 1.00 0.00 C ATOM 853 CG PRO A 56 9.347 -4.527 -2.851 1.00 0.00 C ATOM 854 CD PRO A 56 8.692 -3.462 -3.734 1.00 0.00 C ATOM 0 HA PRO A 56 6.079 -5.103 -2.671 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.357 -5.742 -1.344 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.070 -6.281 -2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.881 -4.074 -2.016 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.073 -5.115 -3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.097 -2.475 -3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.895 -3.658 -4.787 1.00 0.00 H new ATOM 859 N SER A 57 7.582 -3.113 -0.527 1.00 0.00 N ATOM 860 CA SER A 57 7.451 -2.157 0.586 1.00 0.00 C ATOM 861 C SER A 57 8.535 -1.058 0.576 1.00 0.00 C ATOM 862 O SER A 57 8.560 -0.169 1.428 1.00 0.00 O ATOM 863 CB SER A 57 7.504 -2.937 1.899 1.00 0.00 C ATOM 864 OG SER A 57 8.832 -3.327 2.210 1.00 0.00 O ATOM 0 H SER A 57 8.552 -3.226 -0.821 1.00 0.00 H new ATOM 0 HA SER A 57 6.498 -1.640 0.474 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.104 -2.323 2.706 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.870 -3.821 1.826 1.00 0.00 H new ATOM 0 HG SER A 57 8.838 -3.823 3.055 1.00 0.00 H new ATOM 869 N SER A 58 9.477 -1.150 -0.372 1.00 0.00 N ATOM 870 CA SER A 58 10.767 -0.442 -0.470 1.00 0.00 C ATOM 871 C SER A 58 11.710 -0.578 0.736 1.00 0.00 C ATOM 872 O SER A 58 12.864 -0.156 0.645 1.00 0.00 O ATOM 873 CB SER A 58 10.576 1.023 -0.886 1.00 0.00 C ATOM 874 OG SER A 58 10.157 1.091 -2.240 1.00 0.00 O ATOM 0 H SER A 58 9.346 -1.779 -1.164 1.00 0.00 H new ATOM 0 HA SER A 58 11.295 -0.970 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.836 1.499 -0.243 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.509 1.571 -0.757 1.00 0.00 H new ATOM 0 HG SER A 58 10.035 2.029 -2.498 1.00 0.00 H new ATOM 879 N ARG A 59 11.300 -1.242 1.825 1.00 0.00 N ATOM 880 CA ARG A 59 12.121 -1.506 3.014 1.00 0.00 C ATOM 881 C ARG A 59 13.050 -2.680 2.734 1.00 0.00 C ATOM 882 O ARG A 59 14.242 -2.616 3.023 1.00 0.00 O ATOM 883 CB ARG A 59 11.189 -1.782 4.204 1.00 0.00 C ATOM 884 CG ARG A 59 11.910 -1.726 5.558 1.00 0.00 C ATOM 885 CD ARG A 59 10.920 -2.095 6.672 1.00 0.00 C ATOM 886 NE ARG A 59 11.479 -1.857 8.018 1.00 0.00 N ATOM 887 CZ ARG A 59 11.285 -0.792 8.778 1.00 0.00 C ATOM 888 NH1 ARG A 59 10.731 0.293 8.324 1.00 0.00 N ATOM 889 NH2 ARG A 59 11.634 -0.801 10.031 1.00 0.00 N ATOM 0 H ARG A 59 10.357 -1.622 1.905 1.00 0.00 H new ATOM 0 HA ARG A 59 12.742 -0.644 3.259 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.379 -1.053 4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.734 -2.765 4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.755 -2.415 5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.312 -0.727 5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.007 -1.512 6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.643 -3.145 6.576 1.00 0.00 H new ATOM 0 HE ARG A 59 12.076 -2.590 8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.429 0.343 7.351 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.598 1.094 8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.061 -1.634 10.435 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.480 0.025 10.609 1.00 0.00 H new ATOM 900 N GLU A 60 12.504 -3.712 2.088 1.00 0.00 N ATOM 901 CA GLU A 60 13.241 -4.889 1.621 1.00 0.00 C ATOM 902 C GLU A 60 14.116 -4.618 0.383 1.00 0.00 C ATOM 903 O GLU A 60 15.097 -5.331 0.154 1.00 0.00 O ATOM 904 CB GLU A 60 12.306 -6.092 1.406 1.00 0.00 C ATOM 905 CG GLU A 60 10.951 -5.820 0.727 1.00 0.00 C ATOM 906 CD GLU A 60 10.294 -7.157 0.339 1.00 0.00 C ATOM 907 OE1 GLU A 60 9.652 -7.794 1.210 1.00 0.00 O ATOM 908 OE2 GLU A 60 10.439 -7.592 -0.830 1.00 0.00 O ATOM 0 H GLU A 60 11.509 -3.754 1.869 1.00 0.00 H new ATOM 0 HA GLU A 60 13.936 -5.142 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.840 -6.832 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.111 -6.546 2.378 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.299 -5.264 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.094 -5.202 -0.159 1.00 0.00 H new ATOM 913 N ARG A 61 13.818 -3.557 -0.382 1.00 0.00 N ATOM 914 CA ARG A 61 14.687 -3.021 -1.445 1.00 0.00 C ATOM 915 C ARG A 61 15.895 -2.269 -0.874 1.00 0.00 C ATOM 916 O ARG A 61 17.005 -2.412 -1.396 1.00 0.00 O ATOM 917 CB ARG A 61 13.887 -2.101 -2.383 1.00 0.00 C ATOM 918 CG ARG A 61 12.807 -2.871 -3.161 1.00 0.00 C ATOM 919 CD ARG A 61 11.914 -1.958 -4.009 1.00 0.00 C ATOM 920 NE ARG A 61 12.654 -1.239 -5.065 1.00 0.00 N ATOM 921 CZ ARG A 61 12.340 -0.065 -5.580 1.00 0.00 C ATOM 922 NH1 ARG A 61 11.420 0.713 -5.087 1.00 0.00 N ATOM 923 NH2 ARG A 61 12.939 0.387 -6.640 1.00 0.00 N ATOM 0 H ARG A 61 12.948 -3.035 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 61 15.065 -3.871 -2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.418 -1.308 -1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.567 -1.620 -3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.287 -3.604 -3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.186 -3.426 -2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.127 -2.556 -4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.425 -1.233 -3.359 1.00 0.00 H new ATOM 0 HE ARG A 61 13.490 -1.694 -5.433 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.898 0.425 -4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.221 1.611 -5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.667 -0.168 -7.090 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.682 1.297 -7.022 1.00 0.00 H new ATOM 934 N ARG A 62 15.688 -1.472 0.183 1.00 0.00 N ATOM 935 CA ARG A 62 16.701 -0.648 0.848 1.00 0.00 C ATOM 936 C ARG A 62 17.702 -1.470 1.674 1.00 0.00 C ATOM 937 O ARG A 62 18.910 -1.360 1.448 1.00 0.00 O ATOM 938 CB ARG A 62 15.934 0.377 1.694 1.00 0.00 C ATOM 939 CG ARG A 62 16.832 1.242 2.583 1.00 0.00 C ATOM 940 CD ARG A 62 16.458 1.081 4.053 1.00 0.00 C ATOM 941 NE ARG A 62 17.317 1.923 4.901 1.00 0.00 N ATOM 942 CZ ARG A 62 17.422 1.911 6.216 1.00 0.00 C ATOM 943 NH1 ARG A 62 16.740 1.085 6.961 1.00 0.00 N ATOM 944 NH2 ARG A 62 18.221 2.745 6.814 1.00 0.00 N ATOM 0 H ARG A 62 14.769 -1.382 0.615 1.00 0.00 H new ATOM 0 HA ARG A 62 17.328 -0.149 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.362 1.026 1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.216 -0.149 2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.875 0.962 2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.739 2.288 2.292 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.413 1.354 4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.559 0.036 4.347 1.00 0.00 H new ATOM 0 HE ARG A 62 17.903 2.599 4.412 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.099 0.419 6.529 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.848 1.105 7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.767 3.410 6.266 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.301 2.735 7.831 1.00 0.00 H new ATOM 955 N ILE A 63 17.207 -2.217 2.668 1.00 0.00 N ATOM 956 CA ILE A 63 17.994 -2.880 3.736 1.00 0.00 C ATOM 957 C ILE A 63 19.103 -3.819 3.220 1.00 0.00 C ATOM 958 O ILE A 63 18.888 -4.560 2.231 1.00 0.00 O ATOM 959 CB ILE A 63 17.041 -3.536 4.763 1.00 0.00 C ATOM 960 CG1 ILE A 63 17.707 -3.828 6.124 1.00 0.00 C ATOM 961 CG2 ILE A 63 16.419 -4.831 4.218 1.00 0.00 C ATOM 962 CD1 ILE A 63 18.078 -2.561 6.906 1.00 0.00 C ATOM 963 OXT ILE A 63 20.212 -3.791 3.805 1.00 0.00 O ATOM 0 H ILE A 63 16.206 -2.388 2.762 1.00 0.00 H new ATOM 0 HA ILE A 63 18.560 -2.105 4.253 1.00 0.00 H new ATOM 0 HB ILE A 63 16.258 -2.796 4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.032 -4.434 6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.607 -4.421 5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 63 15.756 -5.261 4.969 1.00 0.00 H new ATOM 0 HG22 ILE A 63 15.849 -4.609 3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.210 -5.543 3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.542 -2.840 7.852 1.00 0.00 H new ATOM 0 HD12 ILE A 63 18.778 -1.964 6.321 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.178 -1.977 7.101 1.00 0.00 H new