USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 544 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 42 THR OG1 : rot 147:sc= 0.00332 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.1) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0.996 (180deg=0.996) USER MOD Single : A 12 MET CE :methyl 174:sc= -2.37 (180deg=-2.52) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0931 USER MOD Single : A 19 ASN : amide:sc= -0.0173 X(o=-0.017,f=-0.023) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.08 K(o=1.1,f=-0.00099) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc=-0.00616 (180deg=-0.144) USER MOD Single : A 33 ASN : amide:sc= 0.724 K(o=0.72,f=-0.64) USER MOD Single : A 37 ASN : amide:sc= -1.35 K(o=-1.4,f=-0.1) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 64:sc= 1.25 USER MOD Single : A 48 ASN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0.883 (180deg=0.655!) USER MOD Single : A 53 SER OG : rot 70:sc= 1.28 USER MOD Single : A 55 SER OG : rot 180:sc= 0.142 USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 1.21 (180deg=0.932) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 1.16 (180deg=-1.19!) USER MOD Single : A 66 TYR OH : rot 132:sc= 0.676 USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= 0.608! (180deg=-0.164!) USER MOD Single : A 69 LYS NZ :NH3+ -164:sc= -0.0885 (180deg=-0.541) USER MOD ----------------------------------------------------------------- ATOM 34 N GLU A 3 2.983 12.946 4.917 1.00 10.00 N ATOM 35 CA GLU A 3 2.715 13.350 3.556 1.00 10.00 C ATOM 36 C GLU A 3 1.603 12.432 3.065 1.00 10.00 C ATOM 37 O GLU A 3 1.208 11.499 3.769 1.00 10.00 O ATOM 38 CB GLU A 3 3.985 13.242 2.699 1.00 10.00 C ATOM 39 CG GLU A 3 4.417 11.791 2.421 1.00 10.00 C ATOM 40 CD GLU A 3 5.737 11.723 1.664 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.150 12.775 1.132 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.311 10.614 1.612 1.00 10.00 O ATOM 0 HA GLU A 3 2.406 14.393 3.488 1.00 10.00 H new ATOM 0 HB2 GLU A 3 3.817 13.751 1.750 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.799 13.765 3.202 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.512 11.254 3.365 1.00 10.00 H new ATOM 0 HG3 GLU A 3 3.642 11.286 1.844 1.00 10.00 H new ATOM 49 N LYS A 4 1.129 12.699 1.856 1.00 10.00 N ATOM 50 CA LYS A 4 0.166 11.887 1.133 1.00 10.00 C ATOM 51 C LYS A 4 0.895 11.272 -0.058 1.00 10.00 C ATOM 52 O LYS A 4 1.607 11.985 -0.758 1.00 10.00 O ATOM 53 CB LYS A 4 -0.972 12.779 0.625 1.00 10.00 C ATOM 54 CG LYS A 4 -1.617 13.664 1.690 1.00 10.00 C ATOM 55 CD LYS A 4 -2.715 14.497 1.016 1.00 10.00 C ATOM 56 CE LYS A 4 -3.456 15.367 2.036 1.00 10.00 C ATOM 57 NZ LYS A 4 -4.290 14.557 2.951 1.00 10.00 N ATOM 0 H LYS A 4 1.419 13.524 1.331 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.252 11.113 1.777 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -0.588 13.415 -0.172 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.742 12.146 0.184 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -2.039 13.053 2.488 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -0.871 14.315 2.147 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -2.274 15.130 0.246 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.423 13.835 0.517 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -2.733 15.941 2.616 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -4.086 16.085 1.511 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -4.774 15.183 3.625 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -4.996 14.028 2.400 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -3.686 13.889 3.471 1.00 10.00 H new ATOM 71 N ALA A 5 0.733 9.975 -0.305 1.00 10.00 N ATOM 72 CA ALA A 5 1.383 9.291 -1.412 1.00 10.00 C ATOM 73 C ALA A 5 0.375 8.355 -2.068 1.00 10.00 C ATOM 74 O ALA A 5 -0.525 7.867 -1.384 1.00 10.00 O ATOM 75 CB ALA A 5 2.590 8.529 -0.874 1.00 10.00 C ATOM 0 H ALA A 5 0.142 9.368 0.263 1.00 10.00 H new ATOM 0 HA ALA A 5 1.732 9.999 -2.164 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.088 8.011 -1.693 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.286 9.229 -0.412 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.260 7.802 -0.132 1.00 10.00 H new ATOM 81 N GLU A 6 0.509 8.110 -3.376 1.00 10.00 N ATOM 82 CA GLU A 6 -0.418 7.275 -4.121 1.00 10.00 C ATOM 83 C GLU A 6 0.415 6.195 -4.786 1.00 10.00 C ATOM 84 O GLU A 6 1.452 6.514 -5.376 1.00 10.00 O ATOM 85 CB GLU A 6 -1.192 8.100 -5.166 1.00 10.00 C ATOM 86 CG GLU A 6 -2.675 7.701 -5.205 1.00 10.00 C ATOM 87 CD GLU A 6 -3.354 7.920 -6.556 1.00 10.00 C ATOM 88 OE1 GLU A 6 -2.739 7.570 -7.591 1.00 10.00 O ATOM 89 OE2 GLU A 6 -4.529 8.334 -6.550 1.00 10.00 O ATOM 0 H GLU A 6 1.268 8.490 -3.942 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.167 6.839 -3.460 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.105 9.161 -4.932 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.748 7.953 -6.150 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.762 6.649 -4.935 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.212 8.270 -4.446 1.00 10.00 H new ATOM 96 N PHE A 7 -0.008 4.934 -4.680 1.00 10.00 N ATOM 97 CA PHE A 7 0.657 3.815 -5.307 1.00 10.00 C ATOM 98 C PHE A 7 -0.347 3.017 -6.124 1.00 10.00 C ATOM 99 O PHE A 7 -1.497 2.860 -5.712 1.00 10.00 O ATOM 100 CB PHE A 7 1.289 2.911 -4.256 1.00 10.00 C ATOM 101 CG PHE A 7 1.977 3.584 -3.086 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.834 4.677 -3.295 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.842 3.056 -1.791 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.426 5.332 -2.208 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.511 3.660 -0.717 1.00 10.00 C ATOM 106 CZ PHE A 7 3.263 4.828 -0.910 1.00 10.00 C ATOM 0 H PHE A 7 -0.835 4.669 -4.146 1.00 10.00 H new ATOM 0 HA PHE A 7 1.442 4.197 -5.959 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.511 2.258 -3.860 1.00 10.00 H new ATOM 0 HB3 PHE A 7 2.018 2.272 -4.754 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.038 5.014 -4.300 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.224 2.186 -1.623 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.009 6.227 -2.370 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.447 3.222 0.268 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.712 5.334 -0.068 1.00 10.00 H new ATOM 116 N ASP A 8 0.117 2.497 -7.257 1.00 10.00 N ATOM 117 CA ASP A 8 -0.645 1.795 -8.266 1.00 10.00 C ATOM 118 C ASP A 8 -0.408 0.323 -7.992 1.00 10.00 C ATOM 119 O ASP A 8 0.751 -0.051 -7.789 1.00 10.00 O ATOM 120 CB ASP A 8 -0.085 2.170 -9.644 1.00 10.00 C ATOM 121 CG ASP A 8 -1.122 1.989 -10.738 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.783 0.936 -10.710 1.00 10.00 O ATOM 123 OD2 ASP A 8 -1.243 2.917 -11.568 1.00 10.00 O ATOM 0 H ASP A 8 1.104 2.564 -7.504 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.707 2.039 -8.246 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.253 3.206 -9.630 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.787 1.553 -9.863 1.00 10.00 H new ATOM 128 N ILE A 9 -1.466 -0.478 -7.893 1.00 10.00 N ATOM 129 CA ILE A 9 -1.371 -1.885 -7.553 1.00 10.00 C ATOM 130 C ILE A 9 -1.866 -2.717 -8.730 1.00 10.00 C ATOM 131 O ILE A 9 -2.879 -2.370 -9.325 1.00 10.00 O ATOM 132 CB ILE A 9 -2.149 -2.172 -6.270 1.00 10.00 C ATOM 133 CG1 ILE A 9 -1.745 -1.097 -5.248 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.768 -3.585 -5.800 1.00 10.00 C ATOM 135 CD1 ILE A 9 -2.282 -1.421 -3.872 1.00 10.00 C ATOM 0 H ILE A 9 -2.422 -0.159 -8.050 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.333 -2.157 -7.361 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.230 -2.138 -6.409 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.658 -1.019 -5.208 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -2.122 -0.126 -5.569 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.308 -3.821 -4.883 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -2.030 -4.308 -6.572 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.695 -3.629 -5.611 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -1.980 -0.643 -3.171 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.370 -1.473 -3.909 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -1.884 -2.381 -3.543 1.00 10.00 H new ATOM 147 N GLU A 10 -1.178 -3.823 -9.032 1.00 10.00 N ATOM 148 CA GLU A 10 -1.679 -4.827 -9.952 1.00 10.00 C ATOM 149 C GLU A 10 -1.754 -6.185 -9.266 1.00 10.00 C ATOM 150 O GLU A 10 -0.746 -6.711 -8.780 1.00 10.00 O ATOM 151 CB GLU A 10 -0.800 -4.955 -11.192 1.00 10.00 C ATOM 152 CG GLU A 10 -0.963 -3.772 -12.158 1.00 10.00 C ATOM 153 CD GLU A 10 -0.643 -4.172 -13.596 1.00 10.00 C ATOM 154 OE1 GLU A 10 -1.317 -5.105 -14.088 1.00 10.00 O ATOM 155 OE2 GLU A 10 0.278 -3.556 -14.172 1.00 10.00 O ATOM 0 H GLU A 10 -0.261 -4.039 -8.642 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.673 -4.504 -10.261 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.244 -5.028 -10.887 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -1.046 -5.881 -11.713 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -1.984 -3.395 -12.103 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -0.306 -2.958 -11.851 1.00 10.00 H new ATOM 162 N GLY A 11 -2.954 -6.755 -9.317 1.00 10.00 N ATOM 163 CA GLY A 11 -3.261 -8.152 -9.070 1.00 10.00 C ATOM 164 C GLY A 11 -4.383 -8.345 -8.050 1.00 10.00 C ATOM 165 O GLY A 11 -4.716 -9.486 -7.734 1.00 10.00 O ATOM 0 H GLY A 11 -3.788 -6.215 -9.547 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.545 -8.627 -10.009 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.363 -8.658 -8.715 1.00 10.00 H new ATOM 169 N MET A 12 -4.979 -7.270 -7.522 1.00 10.00 N ATOM 170 CA MET A 12 -6.003 -7.409 -6.495 1.00 10.00 C ATOM 171 C MET A 12 -7.373 -7.638 -7.129 1.00 10.00 C ATOM 172 O MET A 12 -8.260 -6.789 -7.111 1.00 10.00 O ATOM 173 CB MET A 12 -5.975 -6.223 -5.540 1.00 10.00 C ATOM 174 CG MET A 12 -6.078 -4.889 -6.280 1.00 10.00 C ATOM 175 SD MET A 12 -6.660 -3.519 -5.269 1.00 10.00 S ATOM 176 CE MET A 12 -5.337 -3.637 -4.070 1.00 10.00 C ATOM 0 H MET A 12 -4.770 -6.308 -7.788 1.00 10.00 H new ATOM 0 HA MET A 12 -5.788 -8.292 -5.894 1.00 10.00 H new ATOM 0 HB2 MET A 12 -6.799 -6.309 -4.831 1.00 10.00 H new ATOM 0 HB3 MET A 12 -5.052 -6.246 -4.961 1.00 10.00 H new ATOM 0 HG2 MET A 12 -5.098 -4.635 -6.684 1.00 10.00 H new ATOM 0 HG3 MET A 12 -6.751 -5.010 -7.129 1.00 10.00 H new ATOM 0 HE1 MET A 12 -5.407 -2.806 -3.368 1.00 10.00 H new ATOM 0 HE2 MET A 12 -5.421 -4.578 -3.527 1.00 10.00 H new ATOM 0 HE3 MET A 12 -4.376 -3.599 -4.583 1.00 10.00 H new ATOM 186 N THR A 13 -7.562 -8.832 -7.670 1.00 10.00 N ATOM 187 CA THR A 13 -8.807 -9.221 -8.299 1.00 10.00 C ATOM 188 C THR A 13 -9.912 -9.360 -7.254 1.00 10.00 C ATOM 189 O THR A 13 -11.089 -9.245 -7.598 1.00 10.00 O ATOM 190 CB THR A 13 -8.565 -10.524 -9.066 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.768 -11.383 -8.271 1.00 10.00 O ATOM 192 CG2 THR A 13 -7.814 -10.228 -10.369 1.00 10.00 C ATOM 0 H THR A 13 -6.848 -9.561 -7.683 1.00 10.00 H new ATOM 0 HA THR A 13 -9.141 -8.456 -9.000 1.00 10.00 H new ATOM 0 HB THR A 13 -9.523 -10.992 -9.293 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.609 -12.221 -8.753 1.00 10.00 H new ATOM 0 HG21 THR A 13 -7.644 -11.159 -10.911 1.00 10.00 H new ATOM 0 HG22 THR A 13 -8.407 -9.552 -10.985 1.00 10.00 H new ATOM 0 HG23 THR A 13 -6.856 -9.762 -10.139 1.00 10.00 H new ATOM 200 N CYS A 14 -9.544 -9.611 -5.991 1.00 10.00 N ATOM 201 CA CYS A 14 -10.465 -9.821 -4.894 1.00 10.00 C ATOM 202 C CYS A 14 -10.333 -8.714 -3.844 1.00 10.00 C ATOM 203 O CYS A 14 -9.249 -8.198 -3.578 1.00 10.00 O ATOM 204 CB CYS A 14 -10.219 -11.215 -4.308 1.00 10.00 C ATOM 205 SG CYS A 14 -8.508 -11.557 -3.811 1.00 10.00 S ATOM 0 H CYS A 14 -8.566 -9.673 -5.708 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.492 -9.772 -5.255 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -10.865 -11.345 -3.440 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.522 -11.959 -5.045 1.00 10.00 H new ATOM 210 N ALA A 15 -11.447 -8.352 -3.203 1.00 10.00 N ATOM 211 CA ALA A 15 -11.426 -7.362 -2.132 1.00 10.00 C ATOM 212 C ALA A 15 -10.545 -7.828 -0.969 1.00 10.00 C ATOM 213 O ALA A 15 -9.967 -7.008 -0.261 1.00 10.00 O ATOM 214 CB ALA A 15 -12.851 -7.058 -1.670 1.00 10.00 C ATOM 0 H ALA A 15 -12.371 -8.731 -3.409 1.00 10.00 H new ATOM 0 HA ALA A 15 -10.989 -6.440 -2.517 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.824 -6.318 -0.870 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.429 -6.667 -2.507 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.317 -7.972 -1.303 1.00 10.00 H new ATOM 220 N ALA A 16 -10.425 -9.146 -0.771 1.00 10.00 N ATOM 221 CA ALA A 16 -9.527 -9.721 0.220 1.00 10.00 C ATOM 222 C ALA A 16 -8.089 -9.253 -0.021 1.00 10.00 C ATOM 223 O ALA A 16 -7.412 -8.821 0.911 1.00 10.00 O ATOM 224 CB ALA A 16 -9.621 -11.249 0.175 1.00 10.00 C ATOM 0 H ALA A 16 -10.953 -9.841 -1.299 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.825 -9.381 1.212 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -8.948 -11.677 0.918 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.644 -11.557 0.392 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.338 -11.602 -0.817 1.00 10.00 H new ATOM 230 N CYS A 17 -7.631 -9.331 -1.272 1.00 10.00 N ATOM 231 CA CYS A 17 -6.311 -8.893 -1.690 1.00 10.00 C ATOM 232 C CYS A 17 -6.110 -7.428 -1.330 1.00 10.00 C ATOM 233 O CYS A 17 -5.091 -7.065 -0.745 1.00 10.00 O ATOM 234 CB CYS A 17 -6.171 -9.152 -3.190 1.00 10.00 C ATOM 235 SG CYS A 17 -6.319 -10.920 -3.566 1.00 10.00 S ATOM 0 H CYS A 17 -8.188 -9.711 -2.037 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.532 -9.452 -1.171 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -6.938 -8.597 -3.731 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.206 -8.783 -3.537 1.00 10.00 H new ATOM 240 N ALA A 18 -7.101 -6.593 -1.635 1.00 10.00 N ATOM 241 CA ALA A 18 -7.070 -5.193 -1.247 1.00 10.00 C ATOM 242 C ALA A 18 -6.970 -5.037 0.273 1.00 10.00 C ATOM 243 O ALA A 18 -6.046 -4.401 0.771 1.00 10.00 O ATOM 244 CB ALA A 18 -8.260 -4.467 -1.871 1.00 10.00 C ATOM 0 H ALA A 18 -7.937 -6.867 -2.152 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.169 -4.719 -1.636 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.238 -3.417 -1.581 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.205 -4.545 -2.957 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.187 -4.921 -1.521 1.00 10.00 H new ATOM 250 N ASN A 19 -7.877 -5.643 1.037 1.00 10.00 N ATOM 251 CA ASN A 19 -7.864 -5.552 2.497 1.00 10.00 C ATOM 252 C ASN A 19 -6.518 -6.018 3.069 1.00 10.00 C ATOM 253 O ASN A 19 -6.039 -5.484 4.073 1.00 10.00 O ATOM 254 CB ASN A 19 -9.029 -6.370 3.071 1.00 10.00 C ATOM 255 CG ASN A 19 -9.411 -6.005 4.510 1.00 10.00 C ATOM 256 OD1 ASN A 19 -10.592 -5.918 4.823 1.00 10.00 O ATOM 257 ND2 ASN A 19 -8.458 -5.800 5.417 1.00 10.00 N ATOM 0 H ASN A 19 -8.639 -6.209 0.664 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.990 -4.509 2.789 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.901 -6.236 2.431 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.767 -7.427 3.035 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -8.710 -5.569 6.378 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -7.476 -5.874 5.151 1.00 10.00 H new ATOM 264 N ARG A 20 -5.902 -7.030 2.453 1.00 10.00 N ATOM 265 CA ARG A 20 -4.612 -7.544 2.835 1.00 10.00 C ATOM 266 C ARG A 20 -3.532 -6.461 2.715 1.00 10.00 C ATOM 267 O ARG A 20 -2.627 -6.423 3.552 1.00 10.00 O ATOM 268 CB ARG A 20 -4.333 -8.768 1.967 1.00 10.00 C ATOM 269 CG ARG A 20 -4.867 -10.052 2.614 1.00 10.00 C ATOM 270 CD ARG A 20 -4.722 -11.243 1.657 1.00 10.00 C ATOM 271 NE ARG A 20 -5.480 -12.415 2.126 1.00 10.00 N ATOM 272 CZ ARG A 20 -5.094 -13.279 3.079 1.00 10.00 C ATOM 273 NH1 ARG A 20 -3.905 -13.126 3.672 1.00 10.00 N ATOM 274 NH2 ARG A 20 -5.898 -14.286 3.438 1.00 10.00 N ATOM 0 H ARG A 20 -6.309 -7.518 1.655 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.602 -7.844 3.883 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.794 -8.634 0.989 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.259 -8.862 1.803 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -4.324 -10.253 3.537 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -5.915 -9.921 2.883 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -5.071 -10.957 0.665 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -3.669 -11.506 1.560 1.00 10.00 H new ATOM 0 HE ARG A 20 -6.384 -12.587 1.685 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -3.295 -12.355 3.400 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -3.608 -13.780 4.396 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -6.806 -14.399 2.988 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -5.603 -14.941 4.162 1.00 10.00 H new ATOM 288 N ILE A 21 -3.648 -5.570 1.720 1.00 10.00 N ATOM 289 CA ILE A 21 -2.770 -4.402 1.614 1.00 10.00 C ATOM 290 C ILE A 21 -2.808 -3.654 2.938 1.00 10.00 C ATOM 291 O ILE A 21 -1.785 -3.554 3.605 1.00 10.00 O ATOM 292 CB ILE A 21 -3.147 -3.423 0.478 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.220 -4.056 -0.910 1.00 10.00 C ATOM 294 CG2 ILE A 21 -2.199 -2.217 0.443 1.00 10.00 C ATOM 295 CD1 ILE A 21 -1.867 -4.500 -1.470 1.00 10.00 C ATOM 0 H ILE A 21 -4.344 -5.639 0.977 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.775 -4.778 1.375 1.00 10.00 H new ATOM 0 HB ILE A 21 -4.158 -3.098 0.723 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -3.884 -4.919 -0.869 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -3.669 -3.341 -1.600 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -2.491 -1.548 -0.367 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -2.254 -1.684 1.392 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -1.178 -2.561 0.279 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -2.008 -4.938 -2.458 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -1.204 -3.638 -1.547 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.423 -5.240 -0.805 1.00 10.00 H new ATOM 307 N GLU A 22 -3.983 -3.155 3.333 1.00 10.00 N ATOM 308 CA GLU A 22 -4.112 -2.347 4.535 1.00 10.00 C ATOM 309 C GLU A 22 -3.570 -3.087 5.741 1.00 10.00 C ATOM 310 O GLU A 22 -2.837 -2.515 6.543 1.00 10.00 O ATOM 311 CB GLU A 22 -5.568 -1.982 4.803 1.00 10.00 C ATOM 312 CG GLU A 22 -6.153 -1.238 3.605 1.00 10.00 C ATOM 313 CD GLU A 22 -7.232 -0.229 3.992 1.00 10.00 C ATOM 314 OE1 GLU A 22 -7.288 0.157 5.180 1.00 10.00 O ATOM 315 OE2 GLU A 22 -7.975 0.168 3.070 1.00 10.00 O ATOM 0 H GLU A 22 -4.859 -3.301 2.831 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.536 -1.436 4.371 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.147 -2.885 4.998 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.636 -1.360 5.696 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.351 -0.719 3.081 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.575 -1.961 2.907 1.00 10.00 H new ATOM 322 N LYS A 23 -3.941 -4.359 5.865 1.00 10.00 N ATOM 323 CA LYS A 23 -3.466 -5.220 6.930 1.00 10.00 C ATOM 324 C LYS A 23 -1.935 -5.175 7.018 1.00 10.00 C ATOM 325 O LYS A 23 -1.392 -5.012 8.110 1.00 10.00 O ATOM 326 CB LYS A 23 -3.998 -6.639 6.691 1.00 10.00 C ATOM 327 CG LYS A 23 -5.185 -7.019 7.589 1.00 10.00 C ATOM 328 CD LYS A 23 -4.781 -7.719 8.897 1.00 10.00 C ATOM 329 CE LYS A 23 -3.923 -6.840 9.819 1.00 10.00 C ATOM 330 NZ LYS A 23 -3.743 -7.445 11.156 1.00 10.00 N ATOM 0 H LYS A 23 -4.585 -4.819 5.221 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.840 -4.871 7.893 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.300 -6.732 5.648 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.189 -7.352 6.854 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.748 -6.117 7.830 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.855 -7.673 7.031 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.681 -8.022 9.431 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.230 -8.629 8.658 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.947 -6.679 9.360 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -4.391 -5.861 9.925 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.158 -6.818 11.745 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.672 -7.576 11.606 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.273 -8.367 11.059 1.00 10.00 H new ATOM 344 N ARG A 24 -1.237 -5.327 5.888 1.00 10.00 N ATOM 345 CA ARG A 24 0.218 -5.230 5.871 1.00 10.00 C ATOM 346 C ARG A 24 0.699 -3.805 6.127 1.00 10.00 C ATOM 347 O ARG A 24 1.581 -3.614 6.958 1.00 10.00 O ATOM 348 CB ARG A 24 0.805 -5.823 4.581 1.00 10.00 C ATOM 349 CG ARG A 24 1.485 -7.171 4.860 1.00 10.00 C ATOM 350 CD ARG A 24 0.506 -8.229 5.391 1.00 10.00 C ATOM 351 NE ARG A 24 1.223 -9.458 5.765 1.00 10.00 N ATOM 352 CZ ARG A 24 0.661 -10.506 6.387 1.00 10.00 C ATOM 353 NH1 ARG A 24 -0.665 -10.533 6.564 1.00 10.00 N ATOM 354 NH2 ARG A 24 1.421 -11.512 6.833 1.00 10.00 N ATOM 0 H ARG A 24 -1.658 -5.517 4.979 1.00 10.00 H new ATOM 0 HA ARG A 24 0.594 -5.833 6.698 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.013 -5.956 3.844 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.527 -5.128 4.152 1.00 10.00 H new ATOM 0 HG2 ARG A 24 1.947 -7.537 3.943 1.00 10.00 H new ATOM 0 HG3 ARG A 24 2.286 -7.026 5.585 1.00 10.00 H new ATOM 0 HD2 ARG A 24 -0.028 -7.836 6.256 1.00 10.00 H new ATOM 0 HD3 ARG A 24 -0.241 -8.455 4.630 1.00 10.00 H new ATOM 0 HE ARG A 24 2.215 -9.518 5.536 1.00 10.00 H new ATOM 0 HH11 ARG A 24 -1.240 -9.761 6.227 1.00 10.00 H new ATOM 0 HH12 ARG A 24 -1.101 -11.326 7.036 1.00 10.00 H new ATOM 0 HH21 ARG A 24 2.432 -11.485 6.701 1.00 10.00 H new ATOM 0 HH22 ARG A 24 0.990 -12.307 7.305 1.00 10.00 H new ATOM 368 N LEU A 25 0.141 -2.800 5.452 1.00 10.00 N ATOM 369 CA LEU A 25 0.586 -1.423 5.637 1.00 10.00 C ATOM 370 C LEU A 25 0.492 -1.012 7.110 1.00 10.00 C ATOM 371 O LEU A 25 1.456 -0.502 7.672 1.00 10.00 O ATOM 372 CB LEU A 25 -0.193 -0.470 4.722 1.00 10.00 C ATOM 373 CG LEU A 25 0.075 -0.701 3.224 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.745 0.307 2.421 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.549 -0.516 2.853 1.00 10.00 C ATOM 0 H LEU A 25 -0.615 -2.914 4.777 1.00 10.00 H new ATOM 0 HA LEU A 25 1.636 -1.358 5.351 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.260 -0.585 4.914 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.067 0.558 4.975 1.00 10.00 H new ATOM 0 HG LEU A 25 -0.203 -1.730 2.997 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.566 0.156 1.356 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.805 0.166 2.634 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.450 1.319 2.699 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.680 -0.691 1.785 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.860 0.500 3.095 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.157 -1.225 3.414 1.00 10.00 H new ATOM 387 N ASN A 26 -0.639 -1.302 7.756 1.00 10.00 N ATOM 388 CA ASN A 26 -0.838 -1.108 9.189 1.00 10.00 C ATOM 389 C ASN A 26 0.252 -1.805 10.002 1.00 10.00 C ATOM 390 O ASN A 26 0.660 -1.321 11.053 1.00 10.00 O ATOM 391 CB ASN A 26 -2.197 -1.680 9.610 1.00 10.00 C ATOM 392 CG ASN A 26 -3.333 -0.674 9.442 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.762 -0.051 10.405 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.843 -0.524 8.224 1.00 10.00 N ATOM 0 H ASN A 26 -1.458 -1.686 7.285 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.797 -0.036 9.384 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.413 -2.569 9.017 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.147 -1.996 10.652 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.615 0.125 8.071 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.463 -1.058 7.443 1.00 10.00 H new ATOM 401 N LYS A 27 0.688 -2.980 9.545 1.00 10.00 N ATOM 402 CA LYS A 27 1.754 -3.721 10.194 1.00 10.00 C ATOM 403 C LYS A 27 3.091 -2.974 10.145 1.00 10.00 C ATOM 404 O LYS A 27 3.920 -3.208 11.023 1.00 10.00 O ATOM 405 CB LYS A 27 1.871 -5.136 9.595 1.00 10.00 C ATOM 406 CG LYS A 27 2.409 -6.143 10.617 1.00 10.00 C ATOM 407 CD LYS A 27 1.316 -6.531 11.630 1.00 10.00 C ATOM 408 CE LYS A 27 1.880 -6.767 13.037 1.00 10.00 C ATOM 409 NZ LYS A 27 2.373 -5.518 13.664 1.00 10.00 N ATOM 0 H LYS A 27 0.309 -3.438 8.716 1.00 10.00 H new ATOM 0 HA LYS A 27 1.494 -3.818 11.248 1.00 10.00 H new ATOM 0 HB2 LYS A 27 0.893 -5.463 9.242 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.531 -5.110 8.728 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.767 -7.035 10.102 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.262 -5.714 11.142 1.00 10.00 H new ATOM 0 HD2 LYS A 27 0.565 -5.742 11.670 1.00 10.00 H new ATOM 0 HD3 LYS A 27 0.811 -7.434 11.288 1.00 10.00 H new ATOM 0 HE2 LYS A 27 1.106 -7.206 13.667 1.00 10.00 H new ATOM 0 HE3 LYS A 27 2.694 -7.489 12.983 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 2.473 -5.660 14.689 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 3.297 -5.267 13.258 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 1.696 -4.749 13.486 1.00 10.00 H new ATOM 423 N ILE A 28 3.320 -2.120 9.138 1.00 10.00 N ATOM 424 CA ILE A 28 4.559 -1.359 9.024 1.00 10.00 C ATOM 425 C ILE A 28 4.550 -0.228 10.050 1.00 10.00 C ATOM 426 O ILE A 28 3.565 0.491 10.215 1.00 10.00 O ATOM 427 CB ILE A 28 4.756 -0.780 7.614 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.719 -1.882 6.543 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.074 0.009 7.501 1.00 10.00 C ATOM 430 CD1 ILE A 28 4.592 -1.285 5.151 1.00 10.00 C ATOM 0 H ILE A 28 2.653 -1.942 8.387 1.00 10.00 H new ATOM 0 HA ILE A 28 5.389 -2.039 9.215 1.00 10.00 H new ATOM 0 HB ILE A 28 3.927 -0.094 7.440 1.00 10.00 H new ATOM 0 HG12 ILE A 28 5.626 -2.483 6.603 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.880 -2.551 6.734 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.177 0.402 6.490 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.066 0.835 8.213 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.913 -0.651 7.721 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.568 -2.086 4.412 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.672 -0.704 5.087 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.445 -0.636 4.954 1.00 10.00 H new ATOM 442 N GLU A 29 5.694 -0.047 10.695 1.00 10.00 N ATOM 443 CA GLU A 29 5.928 0.989 11.676 1.00 10.00 C ATOM 444 C GLU A 29 6.296 2.274 10.927 1.00 10.00 C ATOM 445 O GLU A 29 7.316 2.309 10.244 1.00 10.00 O ATOM 446 CB GLU A 29 7.032 0.505 12.628 1.00 10.00 C ATOM 447 CG GLU A 29 6.669 -0.872 13.216 1.00 10.00 C ATOM 448 CD GLU A 29 7.669 -1.340 14.264 1.00 10.00 C ATOM 449 OE1 GLU A 29 7.869 -0.580 15.235 1.00 10.00 O ATOM 450 OE2 GLU A 29 8.198 -2.458 14.082 1.00 10.00 O ATOM 0 H GLU A 29 6.509 -0.641 10.540 1.00 10.00 H new ATOM 0 HA GLU A 29 5.047 1.202 12.281 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.980 0.441 12.093 1.00 10.00 H new ATOM 0 HB3 GLU A 29 7.169 1.227 13.433 1.00 10.00 H new ATOM 0 HG2 GLU A 29 5.676 -0.822 13.663 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.620 -1.606 12.411 1.00 10.00 H new ATOM 457 N GLY A 30 5.449 3.309 11.011 1.00 10.00 N ATOM 458 CA GLY A 30 5.687 4.609 10.385 1.00 10.00 C ATOM 459 C GLY A 30 4.588 5.029 9.403 1.00 10.00 C ATOM 460 O GLY A 30 4.576 6.175 8.952 1.00 10.00 O ATOM 0 H GLY A 30 4.568 3.262 11.524 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.776 5.367 11.164 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.641 4.580 9.859 1.00 10.00 H new ATOM 464 N VAL A 31 3.658 4.124 9.076 1.00 10.00 N ATOM 465 CA VAL A 31 2.482 4.445 8.277 1.00 10.00 C ATOM 466 C VAL A 31 1.393 4.963 9.217 1.00 10.00 C ATOM 467 O VAL A 31 1.200 4.393 10.289 1.00 10.00 O ATOM 468 CB VAL A 31 2.035 3.205 7.481 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.755 3.494 6.684 1.00 10.00 C ATOM 470 CG2 VAL A 31 3.140 2.769 6.508 1.00 10.00 C ATOM 0 H VAL A 31 3.705 3.146 9.362 1.00 10.00 H new ATOM 0 HA VAL A 31 2.704 5.222 7.546 1.00 10.00 H new ATOM 0 HB VAL A 31 1.837 2.407 8.196 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.461 2.602 6.131 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.044 3.776 7.369 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.938 4.310 5.985 1.00 10.00 H new ATOM 0 HG21 VAL A 31 2.810 1.891 5.952 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.353 3.580 5.812 1.00 10.00 H new ATOM 0 HG23 VAL A 31 4.043 2.525 7.068 1.00 10.00 H new ATOM 480 N ALA A 32 0.694 6.043 8.839 1.00 10.00 N ATOM 481 CA ALA A 32 -0.381 6.599 9.652 1.00 10.00 C ATOM 482 C ALA A 32 -1.710 5.983 9.223 1.00 10.00 C ATOM 483 O ALA A 32 -2.458 5.479 10.056 1.00 10.00 O ATOM 484 CB ALA A 32 -0.403 8.127 9.547 1.00 10.00 C ATOM 0 H ALA A 32 0.861 6.547 7.968 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.210 6.353 10.700 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.212 8.522 10.161 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.548 8.529 9.897 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.560 8.418 8.508 1.00 10.00 H new ATOM 490 N ASN A 33 -2.002 6.010 7.920 1.00 10.00 N ATOM 491 CA ASN A 33 -3.218 5.433 7.363 1.00 10.00 C ATOM 492 C ASN A 33 -3.008 5.171 5.875 1.00 10.00 C ATOM 493 O ASN A 33 -2.020 5.612 5.297 1.00 10.00 O ATOM 494 CB ASN A 33 -4.444 6.318 7.648 1.00 10.00 C ATOM 495 CG ASN A 33 -4.283 7.743 7.130 1.00 10.00 C ATOM 496 OD1 ASN A 33 -3.576 8.543 7.735 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.941 8.076 6.023 1.00 10.00 N ATOM 0 H ASN A 33 -1.394 6.437 7.221 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.427 4.480 7.849 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -5.325 5.868 7.190 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -4.623 6.346 8.723 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -4.867 9.023 5.651 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -5.520 7.385 5.546 1.00 10.00 H new ATOM 504 N ALA A 34 -3.904 4.391 5.271 1.00 10.00 N ATOM 505 CA ALA A 34 -3.718 3.816 3.948 1.00 10.00 C ATOM 506 C ALA A 34 -4.994 3.170 3.392 1.00 10.00 C ATOM 507 O ALA A 34 -4.969 1.986 3.066 1.00 10.00 O ATOM 508 CB ALA A 34 -2.590 2.780 4.008 1.00 10.00 C ATOM 0 H ALA A 34 -4.795 4.139 5.699 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.459 4.628 3.269 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.444 2.344 3.020 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.668 3.264 4.331 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.855 1.995 4.716 1.00 10.00 H new ATOM 514 N PRO A 35 -6.101 3.917 3.255 1.00 10.00 N ATOM 515 CA PRO A 35 -7.319 3.388 2.667 1.00 10.00 C ATOM 516 C PRO A 35 -7.065 2.964 1.212 1.00 10.00 C ATOM 517 O PRO A 35 -6.711 3.796 0.373 1.00 10.00 O ATOM 518 CB PRO A 35 -8.355 4.508 2.790 1.00 10.00 C ATOM 519 CG PRO A 35 -7.508 5.780 2.847 1.00 10.00 C ATOM 520 CD PRO A 35 -6.255 5.322 3.593 1.00 10.00 C ATOM 0 HA PRO A 35 -7.677 2.491 3.172 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.036 4.518 1.939 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.965 4.393 3.686 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.271 6.153 1.850 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.021 6.584 3.375 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.382 5.898 3.287 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.366 5.458 4.669 1.00 10.00 H new ATOM 528 N VAL A 36 -7.223 1.673 0.907 1.00 10.00 N ATOM 529 CA VAL A 36 -7.076 1.150 -0.444 1.00 10.00 C ATOM 530 C VAL A 36 -8.364 1.360 -1.244 1.00 10.00 C ATOM 531 O VAL A 36 -9.457 1.293 -0.683 1.00 10.00 O ATOM 532 CB VAL A 36 -6.651 -0.323 -0.363 1.00 10.00 C ATOM 533 CG1 VAL A 36 -7.795 -1.231 0.091 1.00 10.00 C ATOM 534 CG2 VAL A 36 -6.137 -0.847 -1.702 1.00 10.00 C ATOM 0 H VAL A 36 -7.458 0.961 1.599 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.297 1.692 -0.980 1.00 10.00 H new ATOM 0 HB VAL A 36 -5.849 -0.349 0.375 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -7.446 -2.263 0.133 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -8.134 -0.922 1.080 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -8.621 -1.156 -0.616 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.848 -1.893 -1.597 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -6.923 -0.762 -2.452 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.272 -0.261 -2.014 1.00 10.00 H new ATOM 544 N ASN A 37 -8.250 1.607 -2.555 1.00 10.00 N ATOM 545 CA ASN A 37 -9.404 1.805 -3.424 1.00 10.00 C ATOM 546 C ASN A 37 -9.572 0.628 -4.386 1.00 10.00 C ATOM 547 O ASN A 37 -8.660 0.303 -5.147 1.00 10.00 O ATOM 548 CB ASN A 37 -9.252 3.102 -4.211 1.00 10.00 C ATOM 549 CG ASN A 37 -10.364 3.211 -5.245 1.00 10.00 C ATOM 550 OD1 ASN A 37 -11.522 2.922 -4.966 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.014 3.586 -6.466 1.00 10.00 N ATOM 0 H ASN A 37 -7.354 1.674 -3.037 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.294 1.867 -2.798 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -9.288 3.955 -3.534 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.280 3.127 -4.704 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -10.716 3.640 -7.204 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.042 3.821 -6.669 1.00 10.00 H new ATOM 558 N PHE A 38 -10.768 0.036 -4.389 1.00 10.00 N ATOM 559 CA PHE A 38 -11.103 -1.148 -5.164 1.00 10.00 C ATOM 560 C PHE A 38 -11.900 -0.747 -6.406 1.00 10.00 C ATOM 561 O PHE A 38 -13.080 -1.068 -6.539 1.00 10.00 O ATOM 562 CB PHE A 38 -11.864 -2.124 -4.260 1.00 10.00 C ATOM 563 CG PHE A 38 -11.884 -3.548 -4.772 1.00 10.00 C ATOM 564 CD1 PHE A 38 -10.694 -4.296 -4.769 1.00 10.00 C ATOM 565 CD2 PHE A 38 -13.066 -4.116 -5.284 1.00 10.00 C ATOM 566 CE1 PHE A 38 -10.684 -5.609 -5.262 1.00 10.00 C ATOM 567 CE2 PHE A 38 -13.055 -5.431 -5.781 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.863 -6.176 -5.774 1.00 10.00 C ATOM 0 H PHE A 38 -11.550 0.382 -3.833 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.203 -1.650 -5.519 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.413 -2.112 -3.268 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.890 -1.775 -4.148 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -9.784 -3.858 -4.386 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -13.981 -3.542 -5.295 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.770 -6.184 -5.248 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -13.963 -5.869 -6.168 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.854 -7.184 -6.162 1.00 10.00 H new ATOM 578 N ALA A 39 -11.243 -0.013 -7.304 1.00 10.00 N ATOM 579 CA ALA A 39 -11.809 0.423 -8.577 1.00 10.00 C ATOM 580 C ALA A 39 -10.696 0.827 -9.543 1.00 10.00 C ATOM 581 O ALA A 39 -10.624 0.325 -10.660 1.00 10.00 O ATOM 582 CB ALA A 39 -12.787 1.582 -8.353 1.00 10.00 C ATOM 0 H ALA A 39 -10.283 0.301 -7.162 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.359 -0.407 -9.021 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.202 1.898 -9.310 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.594 1.255 -7.697 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.261 2.418 -7.892 1.00 10.00 H new ATOM 588 N LEU A 40 -9.821 1.735 -9.103 1.00 10.00 N ATOM 589 CA LEU A 40 -8.680 2.204 -9.891 1.00 10.00 C ATOM 590 C LEU A 40 -7.499 1.243 -9.755 1.00 10.00 C ATOM 591 O LEU A 40 -6.572 1.286 -10.555 1.00 10.00 O ATOM 592 CB LEU A 40 -8.242 3.605 -9.430 1.00 10.00 C ATOM 593 CG LEU A 40 -9.304 4.675 -9.483 1.00 10.00 C ATOM 594 CD1 LEU A 40 -8.950 5.905 -8.638 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.573 5.095 -10.922 1.00 10.00 C ATOM 0 H LEU A 40 -9.886 2.168 -8.182 1.00 10.00 H new ATOM 0 HA LEU A 40 -8.993 2.247 -10.934 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.877 3.532 -8.406 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.401 3.923 -10.046 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.206 4.237 -9.056 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.750 6.641 -8.714 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.828 5.608 -7.596 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.020 6.341 -9.002 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.342 5.867 -10.938 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.657 5.486 -11.364 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -9.913 4.233 -11.495 1.00 10.00 H new ATOM 607 N GLU A 41 -7.534 0.421 -8.703 1.00 10.00 N ATOM 608 CA GLU A 41 -6.461 -0.472 -8.289 1.00 10.00 C ATOM 609 C GLU A 41 -5.287 0.384 -7.810 1.00 10.00 C ATOM 610 O GLU A 41 -4.180 0.394 -8.342 1.00 10.00 O ATOM 611 CB GLU A 41 -6.127 -1.515 -9.376 1.00 10.00 C ATOM 612 CG GLU A 41 -5.956 -2.890 -8.713 1.00 10.00 C ATOM 613 CD GLU A 41 -5.594 -4.044 -9.651 1.00 10.00 C ATOM 614 OE1 GLU A 41 -6.001 -3.977 -10.829 1.00 10.00 O ATOM 615 OE2 GLU A 41 -4.973 -5.018 -9.151 1.00 10.00 O ATOM 0 H GLU A 41 -8.349 0.361 -8.093 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.769 -1.091 -7.447 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -6.923 -1.552 -10.120 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.214 -1.233 -9.900 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.181 -2.810 -7.951 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -6.884 -3.142 -8.199 1.00 10.00 H new ATOM 622 N THR A 42 -5.573 1.197 -6.797 1.00 10.00 N ATOM 623 CA THR A 42 -4.631 2.156 -6.247 1.00 10.00 C ATOM 624 C THR A 42 -4.856 2.239 -4.737 1.00 10.00 C ATOM 625 O THR A 42 -5.973 2.019 -4.263 1.00 10.00 O ATOM 626 CB THR A 42 -4.831 3.496 -6.980 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.417 3.397 -8.335 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.100 4.689 -6.362 1.00 10.00 C ATOM 0 H THR A 42 -6.480 1.205 -6.331 1.00 10.00 H new ATOM 0 HA THR A 42 -3.593 1.860 -6.396 1.00 10.00 H new ATOM 0 HB THR A 42 -5.901 3.686 -6.892 1.00 10.00 H new ATOM 0 HG1 THR A 42 -4.981 3.973 -8.892 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.303 5.584 -6.949 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.447 4.839 -5.340 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.027 4.495 -6.356 1.00 10.00 H new ATOM 636 N VAL A 43 -3.796 2.549 -3.987 1.00 10.00 N ATOM 637 CA VAL A 43 -3.868 2.859 -2.566 1.00 10.00 C ATOM 638 C VAL A 43 -3.346 4.276 -2.367 1.00 10.00 C ATOM 639 O VAL A 43 -2.359 4.658 -3.000 1.00 10.00 O ATOM 640 CB VAL A 43 -3.085 1.825 -1.735 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.596 1.785 -2.096 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.236 2.074 -0.228 1.00 10.00 C ATOM 0 H VAL A 43 -2.848 2.591 -4.362 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.899 2.806 -2.216 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.522 0.858 -1.983 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.092 1.040 -1.481 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.484 1.523 -3.148 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.152 2.764 -1.916 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.669 1.324 0.323 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.858 3.067 0.016 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.288 2.009 0.048 1.00 10.00 H new ATOM 652 N THR A 44 -4.004 5.033 -1.485 1.00 10.00 N ATOM 653 CA THR A 44 -3.541 6.348 -1.064 1.00 10.00 C ATOM 654 C THR A 44 -2.993 6.194 0.350 1.00 10.00 C ATOM 655 O THR A 44 -3.768 6.019 1.287 1.00 10.00 O ATOM 656 CB THR A 44 -4.691 7.361 -1.134 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.366 7.238 -2.371 1.00 10.00 O ATOM 658 CG2 THR A 44 -4.174 8.796 -0.987 1.00 10.00 C ATOM 0 H THR A 44 -4.877 4.745 -1.043 1.00 10.00 H new ATOM 0 HA THR A 44 -2.758 6.728 -1.720 1.00 10.00 H new ATOM 0 HB THR A 44 -5.375 7.149 -0.312 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.100 7.886 -2.409 1.00 10.00 H new ATOM 0 HG21 THR A 44 -5.011 9.492 -1.041 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.672 8.905 -0.025 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.470 9.013 -1.790 1.00 10.00 H new ATOM 666 N VAL A 45 -1.668 6.204 0.505 1.00 10.00 N ATOM 667 CA VAL A 45 -1.012 6.017 1.789 1.00 10.00 C ATOM 668 C VAL A 45 -0.660 7.377 2.368 1.00 10.00 C ATOM 669 O VAL A 45 -0.001 8.180 1.708 1.00 10.00 O ATOM 670 CB VAL A 45 0.222 5.116 1.643 1.00 10.00 C ATOM 671 CG1 VAL A 45 0.899 4.856 2.996 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.213 3.771 1.051 1.00 10.00 C ATOM 0 H VAL A 45 -1.018 6.344 -0.269 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.688 5.512 2.479 1.00 10.00 H new ATOM 0 HB VAL A 45 0.935 5.623 0.993 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.768 4.214 2.851 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.216 5.803 3.432 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.194 4.365 3.667 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.657 3.123 0.943 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.937 3.299 1.714 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.668 3.934 0.074 1.00 10.00 H new ATOM 682 N GLU A 46 -1.071 7.604 3.615 1.00 10.00 N ATOM 683 CA GLU A 46 -0.585 8.700 4.426 1.00 10.00 C ATOM 684 C GLU A 46 0.399 8.124 5.448 1.00 10.00 C ATOM 685 O GLU A 46 0.032 7.366 6.351 1.00 10.00 O ATOM 686 CB GLU A 46 -1.771 9.456 5.033 1.00 10.00 C ATOM 687 CG GLU A 46 -2.337 10.439 3.992 1.00 10.00 C ATOM 688 CD GLU A 46 -3.584 11.184 4.455 1.00 10.00 C ATOM 689 OE1 GLU A 46 -4.496 10.512 4.982 1.00 10.00 O ATOM 690 OE2 GLU A 46 -3.630 12.416 4.229 1.00 10.00 O ATOM 0 H GLU A 46 -1.760 7.020 4.089 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.042 9.443 3.841 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.544 8.753 5.344 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.454 9.996 5.925 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -1.566 11.166 3.737 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -2.572 9.891 3.080 1.00 10.00 H new ATOM 697 N TYR A 47 1.679 8.458 5.271 1.00 10.00 N ATOM 698 CA TYR A 47 2.775 8.063 6.143 1.00 10.00 C ATOM 699 C TYR A 47 3.690 9.265 6.315 1.00 10.00 C ATOM 700 O TYR A 47 3.433 10.319 5.732 1.00 10.00 O ATOM 701 CB TYR A 47 3.533 6.854 5.570 1.00 10.00 C ATOM 702 CG TYR A 47 4.442 7.133 4.390 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.910 7.312 3.100 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.837 7.197 4.584 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.769 7.570 2.018 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.686 7.490 3.506 1.00 10.00 C ATOM 707 CZ TYR A 47 6.150 7.701 2.229 1.00 10.00 C ATOM 708 OH TYR A 47 6.955 8.133 1.222 1.00 10.00 O ATOM 0 H TYR A 47 1.987 9.032 4.486 1.00 10.00 H new ATOM 0 HA TYR A 47 2.389 7.751 7.114 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.132 6.416 6.368 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.803 6.102 5.270 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.843 7.251 2.941 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.253 7.020 5.565 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.365 7.668 1.021 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.753 7.553 3.661 1.00 10.00 H new ATOM 0 HH TYR A 47 6.710 9.050 0.978 1.00 10.00 H new ATOM 718 N ASN A 48 4.747 9.115 7.113 1.00 10.00 N ATOM 719 CA ASN A 48 5.719 10.176 7.332 1.00 10.00 C ATOM 720 C ASN A 48 7.079 9.730 6.791 1.00 10.00 C ATOM 721 O ASN A 48 7.582 8.702 7.251 1.00 10.00 O ATOM 722 CB ASN A 48 5.779 10.522 8.827 1.00 10.00 C ATOM 723 CG ASN A 48 6.269 11.951 9.037 1.00 10.00 C ATOM 724 OD1 ASN A 48 5.513 12.837 9.441 1.00 10.00 O ATOM 725 ND2 ASN A 48 7.536 12.199 8.736 1.00 10.00 N ATOM 0 H ASN A 48 4.950 8.255 7.623 1.00 10.00 H new ATOM 0 HA ASN A 48 5.423 11.079 6.799 1.00 10.00 H new ATOM 0 HB2 ASN A 48 4.791 10.403 9.272 1.00 10.00 H new ATOM 0 HB3 ASN A 48 6.444 9.827 9.339 1.00 10.00 H new ATOM 0 HD21 ASN A 48 7.909 13.143 8.837 1.00 10.00 H new ATOM 0 HD22 ASN A 48 8.138 11.446 8.404 1.00 10.00 H new ATOM 732 N PRO A 49 7.712 10.475 5.862 1.00 10.00 N ATOM 733 CA PRO A 49 8.993 10.106 5.265 1.00 10.00 C ATOM 734 C PRO A 49 10.146 10.424 6.226 1.00 10.00 C ATOM 735 O PRO A 49 11.077 11.157 5.901 1.00 10.00 O ATOM 736 CB PRO A 49 9.062 10.904 3.959 1.00 10.00 C ATOM 737 CG PRO A 49 8.327 12.191 4.317 1.00 10.00 C ATOM 738 CD PRO A 49 7.211 11.694 5.238 1.00 10.00 C ATOM 0 HA PRO A 49 9.081 9.038 5.066 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.091 11.096 3.655 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.579 10.377 3.136 1.00 10.00 H new ATOM 0 HG2 PRO A 49 8.980 12.904 4.820 1.00 10.00 H new ATOM 0 HG3 PRO A 49 7.931 12.691 3.433 1.00 10.00 H new ATOM 0 HD2 PRO A 49 6.964 12.443 5.990 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.300 11.496 4.674 1.00 10.00 H new ATOM 746 N LYS A 50 10.067 9.864 7.433 1.00 10.00 N ATOM 747 CA LYS A 50 11.080 9.927 8.476 1.00 10.00 C ATOM 748 C LYS A 50 11.041 8.625 9.298 1.00 10.00 C ATOM 749 O LYS A 50 11.790 8.494 10.258 1.00 10.00 O ATOM 750 CB LYS A 50 10.819 11.201 9.310 1.00 10.00 C ATOM 751 CG LYS A 50 12.014 11.795 10.083 1.00 10.00 C ATOM 752 CD LYS A 50 12.192 11.240 11.508 1.00 10.00 C ATOM 753 CE LYS A 50 13.404 10.303 11.662 1.00 10.00 C ATOM 754 NZ LYS A 50 13.063 9.118 12.476 1.00 10.00 N ATOM 0 H LYS A 50 9.249 9.326 7.721 1.00 10.00 H new ATOM 0 HA LYS A 50 12.090 10.000 8.071 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.434 11.970 8.640 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.029 10.979 10.028 1.00 10.00 H new ATOM 0 HG2 LYS A 50 12.926 11.607 9.517 1.00 10.00 H new ATOM 0 HG3 LYS A 50 11.892 12.877 10.141 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.298 12.074 12.202 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.289 10.701 11.794 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.748 9.985 10.678 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.228 10.843 12.129 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 13.883 8.480 12.521 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 12.806 9.420 13.438 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 12.259 8.619 12.043 1.00 10.00 H new ATOM 768 N GLU A 51 10.181 7.662 8.936 1.00 10.00 N ATOM 769 CA GLU A 51 9.933 6.458 9.715 1.00 10.00 C ATOM 770 C GLU A 51 9.776 5.264 8.766 1.00 10.00 C ATOM 771 O GLU A 51 10.519 4.292 8.874 1.00 10.00 O ATOM 772 CB GLU A 51 8.681 6.670 10.583 1.00 10.00 C ATOM 773 CG GLU A 51 8.863 7.715 11.698 1.00 10.00 C ATOM 774 CD GLU A 51 9.936 7.329 12.707 1.00 10.00 C ATOM 775 OE1 GLU A 51 9.873 6.189 13.208 1.00 10.00 O ATOM 776 OE2 GLU A 51 10.811 8.189 12.964 1.00 10.00 O ATOM 0 H GLU A 51 9.633 7.707 8.077 1.00 10.00 H new ATOM 0 HA GLU A 51 10.772 6.248 10.378 1.00 10.00 H new ATOM 0 HB2 GLU A 51 7.855 6.978 9.942 1.00 10.00 H new ATOM 0 HB3 GLU A 51 8.398 5.719 11.033 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.122 8.674 11.250 1.00 10.00 H new ATOM 0 HG3 GLU A 51 7.915 7.851 12.219 1.00 10.00 H new ATOM 783 N ALA A 52 8.834 5.355 7.822 1.00 10.00 N ATOM 784 CA ALA A 52 8.611 4.369 6.775 1.00 10.00 C ATOM 785 C ALA A 52 8.984 4.994 5.431 1.00 10.00 C ATOM 786 O ALA A 52 9.114 6.217 5.339 1.00 10.00 O ATOM 787 CB ALA A 52 7.134 3.968 6.788 1.00 10.00 C ATOM 0 H ALA A 52 8.189 6.143 7.769 1.00 10.00 H new ATOM 0 HA ALA A 52 9.222 3.481 6.938 1.00 10.00 H new ATOM 0 HB1 ALA A 52 6.951 3.229 6.008 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.881 3.542 7.759 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.517 4.848 6.606 1.00 10.00 H new ATOM 793 N SER A 53 9.115 4.162 4.396 1.00 10.00 N ATOM 794 CA SER A 53 9.455 4.576 3.042 1.00 10.00 C ATOM 795 C SER A 53 8.631 3.765 2.045 1.00 10.00 C ATOM 796 O SER A 53 8.319 2.599 2.290 1.00 10.00 O ATOM 797 CB SER A 53 10.953 4.369 2.766 1.00 10.00 C ATOM 798 OG SER A 53 11.719 4.426 3.950 1.00 10.00 O ATOM 0 H SER A 53 8.983 3.154 4.484 1.00 10.00 H new ATOM 0 HA SER A 53 9.230 5.637 2.933 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.103 3.404 2.283 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.303 5.132 2.070 1.00 10.00 H new ATOM 0 HG SER A 53 11.536 3.634 4.497 1.00 10.00 H new ATOM 804 N VAL A 54 8.319 4.375 0.898 1.00 10.00 N ATOM 805 CA VAL A 54 7.578 3.750 -0.193 1.00 10.00 C ATOM 806 C VAL A 54 8.223 2.424 -0.614 1.00 10.00 C ATOM 807 O VAL A 54 7.538 1.429 -0.840 1.00 10.00 O ATOM 808 CB VAL A 54 7.403 4.758 -1.343 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.725 5.251 -1.950 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.489 4.230 -2.456 1.00 10.00 C ATOM 0 H VAL A 54 8.583 5.340 0.701 1.00 10.00 H new ATOM 0 HA VAL A 54 6.577 3.482 0.144 1.00 10.00 H new ATOM 0 HB VAL A 54 6.924 5.616 -0.870 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.515 5.957 -2.753 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.318 5.743 -1.179 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.281 4.403 -2.349 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.401 4.981 -3.241 1.00 10.00 H new ATOM 0 HG22 VAL A 54 6.914 3.317 -2.873 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.502 4.016 -2.046 1.00 10.00 H new ATOM 820 N SER A 55 9.554 2.402 -0.674 1.00 10.00 N ATOM 821 CA SER A 55 10.365 1.231 -0.953 1.00 10.00 C ATOM 822 C SER A 55 10.091 0.088 0.033 1.00 10.00 C ATOM 823 O SER A 55 9.989 -1.067 -0.376 1.00 10.00 O ATOM 824 CB SER A 55 11.834 1.670 -0.900 1.00 10.00 C ATOM 825 OG SER A 55 11.968 2.804 -0.051 1.00 10.00 O ATOM 0 H SER A 55 10.115 3.240 -0.522 1.00 10.00 H new ATOM 0 HA SER A 55 10.115 0.837 -1.938 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.454 0.853 -0.531 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.187 1.911 -1.903 1.00 10.00 H new ATOM 0 HG SER A 55 12.908 3.079 -0.019 1.00 10.00 H new ATOM 831 N ASP A 56 9.991 0.397 1.327 1.00 10.00 N ATOM 832 CA ASP A 56 9.875 -0.620 2.366 1.00 10.00 C ATOM 833 C ASP A 56 8.520 -1.296 2.214 1.00 10.00 C ATOM 834 O ASP A 56 8.409 -2.509 2.029 1.00 10.00 O ATOM 835 CB ASP A 56 10.005 0.009 3.763 1.00 10.00 C ATOM 836 CG ASP A 56 11.283 0.811 3.951 1.00 10.00 C ATOM 837 OD1 ASP A 56 12.345 0.319 3.516 1.00 10.00 O ATOM 838 OD2 ASP A 56 11.159 1.927 4.504 1.00 10.00 O ATOM 0 H ASP A 56 9.988 1.354 1.680 1.00 10.00 H new ATOM 0 HA ASP A 56 10.677 -1.351 2.260 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.148 0.659 3.941 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.968 -0.781 4.513 1.00 10.00 H new ATOM 843 N LEU A 57 7.473 -0.471 2.258 1.00 10.00 N ATOM 844 CA LEU A 57 6.109 -0.920 2.081 1.00 10.00 C ATOM 845 C LEU A 57 5.926 -1.648 0.755 1.00 10.00 C ATOM 846 O LEU A 57 5.158 -2.610 0.705 1.00 10.00 O ATOM 847 CB LEU A 57 5.113 0.215 2.356 1.00 10.00 C ATOM 848 CG LEU A 57 5.204 1.437 1.444 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.465 1.230 0.121 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.616 2.654 2.170 1.00 10.00 C ATOM 0 H LEU A 57 7.558 0.533 2.419 1.00 10.00 H new ATOM 0 HA LEU A 57 5.880 -1.676 2.832 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.104 -0.191 2.283 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.249 0.547 3.385 1.00 10.00 H new ATOM 0 HG LEU A 57 6.256 1.599 1.211 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.559 2.126 -0.492 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.898 0.381 -0.408 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.411 1.035 0.320 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.679 3.529 1.523 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.572 2.460 2.418 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.179 2.839 3.085 1.00 10.00 H new ATOM 862 N LYS A 58 6.667 -1.253 -0.292 1.00 10.00 N ATOM 863 CA LYS A 58 6.707 -2.020 -1.527 1.00 10.00 C ATOM 864 C LYS A 58 6.945 -3.498 -1.198 1.00 10.00 C ATOM 865 O LYS A 58 6.139 -4.349 -1.568 1.00 10.00 O ATOM 866 CB LYS A 58 7.791 -1.490 -2.488 1.00 10.00 C ATOM 867 CG LYS A 58 7.445 -1.639 -3.974 1.00 10.00 C ATOM 868 CD LYS A 58 6.852 -3.015 -4.306 1.00 10.00 C ATOM 869 CE LYS A 58 7.108 -3.482 -5.747 1.00 10.00 C ATOM 870 NZ LYS A 58 8.139 -4.541 -5.810 1.00 10.00 N ATOM 0 H LYS A 58 7.241 -0.410 -0.299 1.00 10.00 H new ATOM 0 HA LYS A 58 5.749 -1.912 -2.036 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.967 -0.436 -2.272 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.724 -2.017 -2.290 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.734 -0.863 -4.257 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.344 -1.481 -4.570 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.267 -3.752 -3.618 1.00 10.00 H new ATOM 0 HD3 LYS A 58 5.776 -2.986 -4.131 1.00 10.00 H new ATOM 0 HE2 LYS A 58 6.179 -3.854 -6.178 1.00 10.00 H new ATOM 0 HE3 LYS A 58 7.423 -2.633 -6.353 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 8.367 -4.744 -6.804 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 8.996 -4.221 -5.316 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 7.779 -5.404 -5.354 1.00 10.00 H new ATOM 884 N GLU A 59 8.051 -3.807 -0.518 1.00 10.00 N ATOM 885 CA GLU A 59 8.430 -5.183 -0.217 1.00 10.00 C ATOM 886 C GLU A 59 7.323 -5.875 0.590 1.00 10.00 C ATOM 887 O GLU A 59 7.023 -7.043 0.377 1.00 10.00 O ATOM 888 CB GLU A 59 9.787 -5.200 0.512 1.00 10.00 C ATOM 889 CG GLU A 59 10.721 -6.313 0.014 1.00 10.00 C ATOM 890 CD GLU A 59 10.247 -7.712 0.371 1.00 10.00 C ATOM 891 OE1 GLU A 59 10.368 -8.110 1.552 1.00 10.00 O ATOM 892 OE2 GLU A 59 9.823 -8.455 -0.542 1.00 10.00 O ATOM 0 H GLU A 59 8.706 -3.110 -0.163 1.00 10.00 H new ATOM 0 HA GLU A 59 8.547 -5.746 -1.143 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.277 -4.235 0.379 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.617 -5.327 1.581 1.00 10.00 H new ATOM 0 HG2 GLU A 59 10.818 -6.237 -1.069 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.714 -6.157 0.434 1.00 10.00 H new ATOM 899 N ALA A 60 6.689 -5.137 1.501 1.00 10.00 N ATOM 900 CA ALA A 60 5.632 -5.637 2.370 1.00 10.00 C ATOM 901 C ALA A 60 4.411 -6.098 1.571 1.00 10.00 C ATOM 902 O ALA A 60 3.852 -7.154 1.867 1.00 10.00 O ATOM 903 CB ALA A 60 5.240 -4.577 3.400 1.00 10.00 C ATOM 0 H ALA A 60 6.904 -4.152 1.656 1.00 10.00 H new ATOM 0 HA ALA A 60 6.021 -6.508 2.897 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.449 -4.967 4.041 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.108 -4.322 4.008 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.883 -3.685 2.886 1.00 10.00 H new ATOM 909 N VAL A 61 3.966 -5.322 0.578 1.00 10.00 N ATOM 910 CA VAL A 61 2.881 -5.759 -0.281 1.00 10.00 C ATOM 911 C VAL A 61 3.357 -6.838 -1.247 1.00 10.00 C ATOM 912 O VAL A 61 2.677 -7.843 -1.426 1.00 10.00 O ATOM 913 CB VAL A 61 2.249 -4.574 -1.010 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.514 -3.655 -0.026 1.00 10.00 C ATOM 915 CG2 VAL A 61 3.186 -3.746 -1.887 1.00 10.00 C ATOM 0 H VAL A 61 4.341 -4.399 0.357 1.00 10.00 H new ATOM 0 HA VAL A 61 2.104 -6.202 0.342 1.00 10.00 H new ATOM 0 HB VAL A 61 1.550 -5.041 -1.704 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.073 -2.819 -0.569 1.00 10.00 H new ATOM 0 HG12 VAL A 61 0.727 -4.216 0.478 1.00 10.00 H new ATOM 0 HG13 VAL A 61 2.219 -3.276 0.713 1.00 10.00 H new ATOM 0 HG21 VAL A 61 2.626 -2.935 -2.352 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.986 -3.330 -1.274 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.616 -4.381 -2.662 1.00 10.00 H new ATOM 925 N ASP A 62 4.532 -6.647 -1.848 1.00 10.00 N ATOM 926 CA ASP A 62 5.134 -7.617 -2.755 1.00 10.00 C ATOM 927 C ASP A 62 5.174 -8.999 -2.089 1.00 10.00 C ATOM 928 O ASP A 62 4.815 -10.000 -2.705 1.00 10.00 O ATOM 929 CB ASP A 62 6.512 -7.128 -3.230 1.00 10.00 C ATOM 930 CG ASP A 62 6.885 -7.738 -4.569 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.846 -8.977 -4.699 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.175 -6.968 -5.522 1.00 10.00 O ATOM 0 H ASP A 62 5.095 -5.807 -1.716 1.00 10.00 H new ATOM 0 HA ASP A 62 4.522 -7.716 -3.652 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.505 -6.041 -3.313 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.267 -7.386 -2.488 1.00 10.00 H new ATOM 937 N LYS A 63 5.489 -9.027 -0.785 1.00 10.00 N ATOM 938 CA LYS A 63 5.421 -10.212 0.073 1.00 10.00 C ATOM 939 C LYS A 63 4.165 -11.061 -0.172 1.00 10.00 C ATOM 940 O LYS A 63 4.223 -12.287 -0.103 1.00 10.00 O ATOM 941 CB LYS A 63 5.457 -9.796 1.557 1.00 10.00 C ATOM 942 CG LYS A 63 6.401 -10.643 2.423 1.00 10.00 C ATOM 943 CD LYS A 63 7.860 -10.191 2.246 1.00 10.00 C ATOM 944 CE LYS A 63 8.732 -11.217 1.512 1.00 10.00 C ATOM 945 NZ LYS A 63 9.922 -10.564 0.938 1.00 10.00 N ATOM 0 H LYS A 63 5.808 -8.197 -0.286 1.00 10.00 H new ATOM 0 HA LYS A 63 6.288 -10.822 -0.179 1.00 10.00 H new ATOM 0 HB2 LYS A 63 5.760 -8.751 1.623 1.00 10.00 H new ATOM 0 HB3 LYS A 63 4.449 -9.862 1.966 1.00 10.00 H new ATOM 0 HG2 LYS A 63 6.114 -10.558 3.471 1.00 10.00 H new ATOM 0 HG3 LYS A 63 6.306 -11.694 2.151 1.00 10.00 H new ATOM 0 HD2 LYS A 63 7.877 -9.251 1.695 1.00 10.00 H new ATOM 0 HD3 LYS A 63 8.293 -9.993 3.227 1.00 10.00 H new ATOM 0 HE2 LYS A 63 9.038 -12.003 2.202 1.00 10.00 H new ATOM 0 HE3 LYS A 63 8.154 -11.695 0.721 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 10.660 -11.277 0.765 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 9.667 -10.105 0.040 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 10.280 -9.849 1.603 1.00 10.00 H new ATOM 959 N LEU A 64 3.024 -10.404 -0.388 1.00 10.00 N ATOM 960 CA LEU A 64 1.721 -11.040 -0.535 1.00 10.00 C ATOM 961 C LEU A 64 1.515 -11.610 -1.945 1.00 10.00 C ATOM 962 O LEU A 64 0.665 -12.480 -2.113 1.00 10.00 O ATOM 963 CB LEU A 64 0.623 -10.031 -0.170 1.00 10.00 C ATOM 964 CG LEU A 64 0.666 -9.615 1.312 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.036 -8.267 1.496 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.027 -10.664 2.193 1.00 10.00 C ATOM 0 H LEU A 64 2.984 -9.388 -0.467 1.00 10.00 H new ATOM 0 HA LEU A 64 1.669 -11.889 0.147 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.728 -9.144 -0.795 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.352 -10.465 -0.393 1.00 10.00 H new ATOM 0 HG LEU A 64 1.711 -9.534 1.611 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.002 -7.979 2.547 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.468 -7.509 0.896 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.075 -8.351 1.177 1.00 10.00 H new ATOM 0 HD21 LEU A 64 0.016 -10.349 3.236 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.068 -10.766 1.887 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.479 -11.623 2.083 1.00 10.00 H new ATOM 978 N GLY A 65 2.275 -11.151 -2.947 1.00 10.00 N ATOM 979 CA GLY A 65 2.321 -11.753 -4.276 1.00 10.00 C ATOM 980 C GLY A 65 2.127 -10.710 -5.373 1.00 10.00 C ATOM 981 O GLY A 65 2.953 -10.589 -6.279 1.00 10.00 O ATOM 0 H GLY A 65 2.883 -10.338 -2.851 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.279 -12.255 -4.416 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.547 -12.516 -4.357 1.00 10.00 H new ATOM 985 N TYR A 66 1.014 -9.975 -5.304 1.00 10.00 N ATOM 986 CA TYR A 66 0.707 -8.886 -6.228 1.00 10.00 C ATOM 987 C TYR A 66 1.786 -7.804 -6.177 1.00 10.00 C ATOM 988 O TYR A 66 2.587 -7.767 -5.244 1.00 10.00 O ATOM 989 CB TYR A 66 -0.684 -8.307 -5.936 1.00 10.00 C ATOM 990 CG TYR A 66 -1.097 -8.271 -4.479 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.351 -7.520 -3.551 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.215 -9.008 -4.044 1.00 10.00 C ATOM 993 CE1 TYR A 66 -0.751 -7.472 -2.208 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.630 -8.925 -2.705 1.00 10.00 C ATOM 995 CZ TYR A 66 -1.945 -8.091 -1.810 1.00 10.00 C ATOM 996 OH TYR A 66 -2.473 -7.821 -0.586 1.00 10.00 O ATOM 0 H TYR A 66 0.294 -10.123 -4.596 1.00 10.00 H new ATOM 0 HA TYR A 66 0.696 -9.288 -7.241 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.722 -7.291 -6.329 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.421 -8.890 -6.488 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.528 -6.982 -3.873 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.753 -9.636 -4.739 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.140 -6.959 -1.480 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.476 -9.503 -2.365 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.427 -7.615 -0.679 1.00 10.00 H new ATOM 1006 N LYS A 67 1.821 -6.924 -7.183 1.00 10.00 N ATOM 1007 CA LYS A 67 2.850 -5.891 -7.275 1.00 10.00 C ATOM 1008 C LYS A 67 2.226 -4.512 -7.083 1.00 10.00 C ATOM 1009 O LYS A 67 1.032 -4.321 -7.299 1.00 10.00 O ATOM 1010 CB LYS A 67 3.626 -5.991 -8.599 1.00 10.00 C ATOM 1011 CG LYS A 67 4.910 -6.826 -8.489 1.00 10.00 C ATOM 1012 CD LYS A 67 4.650 -8.320 -8.242 1.00 10.00 C ATOM 1013 CE LYS A 67 5.934 -9.155 -8.362 1.00 10.00 C ATOM 1014 NZ LYS A 67 6.850 -8.978 -7.215 1.00 10.00 N ATOM 0 H LYS A 67 1.144 -6.909 -7.946 1.00 10.00 H new ATOM 0 HA LYS A 67 3.574 -6.048 -6.476 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.979 -6.430 -9.359 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.882 -4.987 -8.939 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.487 -6.713 -9.407 1.00 10.00 H new ATOM 0 HG3 LYS A 67 5.521 -6.433 -7.677 1.00 10.00 H new ATOM 0 HD2 LYS A 67 4.222 -8.454 -7.249 1.00 10.00 H new ATOM 0 HD3 LYS A 67 3.913 -8.683 -8.958 1.00 10.00 H new ATOM 0 HE2 LYS A 67 5.668 -10.209 -8.448 1.00 10.00 H new ATOM 0 HE3 LYS A 67 6.454 -8.881 -9.280 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 7.774 -9.397 -7.441 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 6.969 -7.964 -7.019 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 6.452 -9.448 -6.377 1.00 10.00 H new ATOM 1028 N LEU A 68 3.065 -3.561 -6.666 1.00 10.00 N ATOM 1029 CA LEU A 68 2.734 -2.182 -6.372 1.00 10.00 C ATOM 1030 C LEU A 68 3.875 -1.351 -6.936 1.00 10.00 C ATOM 1031 O LEU A 68 5.004 -1.837 -7.034 1.00 10.00 O ATOM 1032 CB LEU A 68 2.619 -2.013 -4.858 1.00 10.00 C ATOM 1033 CG LEU A 68 2.278 -0.603 -4.344 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.370 -0.693 -3.109 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.555 0.149 -3.929 1.00 10.00 C ATOM 0 H LEU A 68 4.055 -3.756 -6.518 1.00 10.00 H new ATOM 0 HA LEU A 68 1.785 -1.872 -6.810 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.855 -2.701 -4.496 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.563 -2.320 -4.409 1.00 10.00 H new ATOM 0 HG LEU A 68 1.775 -0.072 -5.152 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.136 0.311 -2.755 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.447 -1.209 -3.373 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.882 -1.245 -2.321 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.291 1.143 -3.569 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.060 -0.402 -3.136 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.220 0.239 -4.788 1.00 10.00 H new ATOM 1047 N LYS A 69 3.583 -0.113 -7.310 1.00 10.00 N ATOM 1048 CA LYS A 69 4.530 0.856 -7.828 1.00 10.00 C ATOM 1049 C LYS A 69 4.064 2.238 -7.382 1.00 10.00 C ATOM 1050 O LYS A 69 2.895 2.413 -7.056 1.00 10.00 O ATOM 1051 CB LYS A 69 4.600 0.778 -9.361 1.00 10.00 C ATOM 1052 CG LYS A 69 5.086 -0.597 -9.850 1.00 10.00 C ATOM 1053 CD LYS A 69 5.393 -0.655 -11.355 1.00 10.00 C ATOM 1054 CE LYS A 69 6.846 -0.299 -11.713 1.00 10.00 C ATOM 1055 NZ LYS A 69 7.161 1.127 -11.502 1.00 10.00 N ATOM 0 H LYS A 69 2.634 0.257 -7.257 1.00 10.00 H new ATOM 0 HA LYS A 69 5.530 0.651 -7.447 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.615 0.983 -9.779 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.271 1.552 -9.732 1.00 10.00 H new ATOM 0 HG2 LYS A 69 5.984 -0.871 -9.296 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.327 -1.343 -9.616 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.175 -1.658 -11.721 1.00 10.00 H new ATOM 0 HD3 LYS A 69 4.723 0.028 -11.878 1.00 10.00 H new ATOM 0 HE2 LYS A 69 7.522 -0.907 -11.111 1.00 10.00 H new ATOM 0 HE3 LYS A 69 7.030 -0.555 -12.756 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.041 1.366 -12.002 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 6.384 1.712 -11.870 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.280 1.309 -10.485 1.00 10.00 H new ATOM 1069 N LEU A 70 4.972 3.213 -7.360 1.00 10.00 N ATOM 1070 CA LEU A 70 4.628 4.587 -7.021 1.00 10.00 C ATOM 1071 C LEU A 70 3.784 5.213 -8.122 1.00 10.00 C ATOM 1072 O LEU A 70 3.943 4.878 -9.297 1.00 10.00 O ATOM 1073 CB LEU A 70 5.895 5.392 -6.691 1.00 10.00 C ATOM 1074 CG LEU A 70 5.790 6.931 -6.740 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.829 7.540 -5.793 1.00 10.00 C ATOM 1076 CD2 LEU A 70 6.058 7.490 -8.146 1.00 10.00 C ATOM 0 H LEU A 70 5.959 3.071 -7.575 1.00 10.00 H new ATOM 0 HA LEU A 70 4.014 4.597 -6.121 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.224 5.108 -5.691 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.679 5.085 -7.383 1.00 10.00 H new ATOM 0 HG LEU A 70 4.773 7.192 -6.447 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.758 8.627 -5.825 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.642 7.194 -4.776 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.828 7.233 -6.103 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.972 8.576 -8.128 1.00 10.00 H new ATOM 0 HD22 LEU A 70 7.063 7.210 -8.463 1.00 10.00 H new ATOM 0 HD23 LEU A 70 5.329 7.080 -8.845 1.00 10.00 H new ATOM 1088 N LYS A 71 2.897 6.119 -7.712 1.00 10.00 N ATOM 1089 CA LYS A 71 2.035 6.900 -8.571 1.00 10.00 C ATOM 1090 C LYS A 71 2.155 8.385 -8.201 1.00 10.00 C ATOM 1091 O LYS A 71 3.272 8.884 -8.091 1.00 10.00 O ATOM 1092 CB LYS A 71 0.635 6.288 -8.483 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.306 6.773 -9.585 1.00 10.00 C ATOM 1094 CD LYS A 71 -1.065 5.563 -10.126 1.00 10.00 C ATOM 1095 CE LYS A 71 -2.358 5.994 -10.802 1.00 10.00 C ATOM 1096 NZ LYS A 71 -3.405 6.301 -9.802 1.00 10.00 N ATOM 0 H LYS A 71 2.761 6.332 -6.724 1.00 10.00 H new ATOM 0 HA LYS A 71 2.318 6.868 -9.623 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.716 5.202 -8.536 1.00 10.00 H new ATOM 0 HB3 LYS A 71 0.201 6.528 -7.512 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -1.002 7.515 -9.193 1.00 10.00 H new ATOM 0 HG3 LYS A 71 0.259 7.256 -10.382 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.439 5.024 -10.838 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.287 4.874 -9.311 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.173 6.872 -11.421 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.706 5.203 -11.466 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -4.248 6.673 -10.285 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -3.656 5.434 -9.285 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.048 7.012 -9.132 1.00 10.00 H new