USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 913 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 67 HIS :FLIP no HE2:sc= -2.41 F(o=-4.3!,f=-3.3) USER MOD Set 1.2: A 72 THR OG1 : rot -7:sc= -0.92 USER MOD Set 2.1: A 56 THR OG1 : rot -72:sc= 1.09 USER MOD Set 2.2: A 58 ASN : amide:sc= -3.26 K(o=-2.2,f=-8.6!) USER MOD Set 3.1: A 6 THR OG1 : rot -120:sc= -0.794 USER MOD Set 3.2: A 38 HIS : no HE2:sc= -0.753 X(o=-1.5,f=-1.3) USER MOD Set 4.1: A 2 THR OG1 : rot 93:sc= 0.0475 USER MOD Set 4.2: A 36 ASN : amide:sc= -0.0812 K(o=-0.034,f=-1.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= 1.26 (180deg=-2.87) USER MOD Single : A 3 MET CE :methyl -165:sc= -1.46 (180deg=-2.35) USER MOD Single : A 4 ASN : amide:sc= -0.737 K(o=-0.74,f=-2.1) USER MOD Single : A 7 SER OG : rot -89:sc= 0.699 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.931 X(o=-0.93,f=-0.56) USER MOD Single : A 10 MET CE :methyl -110:sc= -0.785 (180deg=-6.69!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 18 GLN : amide:sc= -0.466 K(o=-0.47,f=-3.4!) USER MOD Single : A 19 HIS : no HD1:sc= -5.39 K(o=-5.4,f=-6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 1.22 (180deg=0.947) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.641 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -1.05 F(o=-3.1,f=-1) USER MOD Single : A 42 SER OG : rot 160:sc= -1.32 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 92:sc= -2.5 USER MOD Single : A 55 ASN : amide:sc= -2.86! C(o=-2.9!,f=-3.7!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.378 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -158:sc= -0.0121 (180deg=-0.559) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.625 K(o=-0.62,f=-7.7!) USER MOD Single : A 79 ASN : amide:sc= -4.55! C(o=-4.6!,f=-6!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0.0236 X(o=0.024,f=0) USER MOD Single : A 86 ASN : amide:sc= -4.11 K(o=-4.1,f=-6.3!) USER MOD Single : A 87 LYS NZ :NH3+ -158:sc= -0.0919 (180deg=-0.505) USER MOD Single : A 89 GLN : amide:sc= -0.192 K(o=-0.19,f=-2.5!) USER MOD Single : A 90 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.31) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0798 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.7 K(o=-1.7,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 186.115 -0.384 -7.148 1.00 0.00 N ATOM 2 CA MET A 1 185.059 0.278 -7.960 1.00 0.00 C ATOM 3 C MET A 1 183.911 -0.682 -8.274 1.00 0.00 C ATOM 4 O MET A 1 182.825 -0.252 -8.663 1.00 0.00 O ATOM 5 CB MET A 1 185.683 0.789 -9.261 1.00 0.00 C ATOM 6 CG MET A 1 187.072 1.383 -9.085 1.00 0.00 C ATOM 7 SD MET A 1 188.383 0.246 -9.577 1.00 0.00 S ATOM 8 CE MET A 1 189.733 0.813 -8.546 1.00 0.00 C ATOM 0 H1 MET A 1 186.499 0.294 -6.459 1.00 0.00 H new ATOM 0 H2 MET A 1 185.707 -1.196 -6.643 1.00 0.00 H new ATOM 0 H3 MET A 1 186.878 -0.713 -7.773 1.00 0.00 H new ATOM 0 HA MET A 1 184.647 1.109 -7.387 1.00 0.00 H new ATOM 0 HB2 MET A 1 185.738 -0.034 -9.974 1.00 0.00 H new ATOM 0 HB3 MET A 1 185.028 1.544 -9.695 1.00 0.00 H new ATOM 0 HG2 MET A 1 187.149 2.297 -9.674 1.00 0.00 H new ATOM 0 HG3 MET A 1 187.213 1.664 -8.041 1.00 0.00 H new ATOM 0 HE1 MET A 1 190.617 0.205 -8.737 1.00 0.00 H new ATOM 0 HE2 MET A 1 189.953 1.856 -8.775 1.00 0.00 H new ATOM 0 HE3 MET A 1 189.452 0.724 -7.497 1.00 0.00 H new ATOM 20 N THR A 2 184.157 -1.978 -8.109 1.00 0.00 N ATOM 21 CA THR A 2 183.139 -2.987 -8.382 1.00 0.00 C ATOM 22 C THR A 2 181.991 -2.901 -7.380 1.00 0.00 C ATOM 23 O THR A 2 182.012 -3.561 -6.341 1.00 0.00 O ATOM 24 CB THR A 2 183.756 -4.386 -8.348 1.00 0.00 C ATOM 25 OG1 THR A 2 185.133 -4.335 -8.676 1.00 0.00 O ATOM 26 CG2 THR A 2 183.094 -5.357 -9.302 1.00 0.00 C ATOM 0 H THR A 2 185.050 -2.354 -7.789 1.00 0.00 H new ATOM 0 HA THR A 2 182.738 -2.795 -9.377 1.00 0.00 H new ATOM 0 HB THR A 2 183.605 -4.742 -7.329 1.00 0.00 H new ATOM 0 HG1 THR A 2 185.662 -4.256 -7.855 1.00 0.00 H new ATOM 0 HG21 THR A 2 183.580 -6.330 -9.227 1.00 0.00 H new ATOM 0 HG22 THR A 2 182.040 -5.458 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 2 183.185 -4.984 -10.322 1.00 0.00 H new ATOM 34 N MET A 3 180.990 -2.090 -7.700 1.00 0.00 N ATOM 35 CA MET A 3 179.831 -1.922 -6.828 1.00 0.00 C ATOM 36 C MET A 3 179.137 -3.260 -6.587 1.00 0.00 C ATOM 37 O MET A 3 178.273 -3.671 -7.364 1.00 0.00 O ATOM 38 CB MET A 3 178.847 -0.923 -7.438 1.00 0.00 C ATOM 39 CG MET A 3 177.852 -0.363 -6.433 1.00 0.00 C ATOM 40 SD MET A 3 176.140 -0.738 -6.862 1.00 0.00 S ATOM 41 CE MET A 3 176.048 -0.056 -8.517 1.00 0.00 C ATOM 0 H MET A 3 180.956 -1.538 -8.557 1.00 0.00 H new ATOM 0 HA MET A 3 180.179 -1.535 -5.870 1.00 0.00 H new ATOM 0 HB2 MET A 3 179.406 -0.099 -7.882 1.00 0.00 H new ATOM 0 HB3 MET A 3 178.301 -1.410 -8.246 1.00 0.00 H new ATOM 0 HG2 MET A 3 178.072 -0.769 -5.446 1.00 0.00 H new ATOM 0 HG3 MET A 3 177.977 0.718 -6.368 1.00 0.00 H new ATOM 0 HE1 MET A 3 175.004 0.034 -8.816 1.00 0.00 H new ATOM 0 HE2 MET A 3 176.515 0.929 -8.531 1.00 0.00 H new ATOM 0 HE3 MET A 3 176.569 -0.715 -9.212 1.00 0.00 H new ATOM 51 N ASN A 4 179.522 -3.935 -5.509 1.00 0.00 N ATOM 52 CA ASN A 4 178.939 -5.229 -5.168 1.00 0.00 C ATOM 53 C ASN A 4 177.876 -5.085 -4.082 1.00 0.00 C ATOM 54 O ASN A 4 178.004 -4.259 -3.180 1.00 0.00 O ATOM 55 CB ASN A 4 180.029 -6.196 -4.703 1.00 0.00 C ATOM 56 CG ASN A 4 181.172 -6.301 -5.693 1.00 0.00 C ATOM 57 OD1 ASN A 4 182.310 -5.949 -5.384 1.00 0.00 O ATOM 58 ND2 ASN A 4 180.874 -6.786 -6.893 1.00 0.00 N ATOM 0 H ASN A 4 180.235 -3.608 -4.856 1.00 0.00 H new ATOM 0 HA ASN A 4 178.463 -5.628 -6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 4 180.416 -5.866 -3.739 1.00 0.00 H new ATOM 0 HB3 ASN A 4 179.593 -7.183 -4.550 1.00 0.00 H new ATOM 0 HD21 ASN A 4 181.602 -6.879 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 4 179.917 -7.066 -7.107 1.00 0.00 H new ATOM 65 N ILE A 5 176.827 -5.897 -4.178 1.00 0.00 N ATOM 66 CA ILE A 5 175.742 -5.863 -3.203 1.00 0.00 C ATOM 67 C ILE A 5 175.224 -7.269 -2.911 1.00 0.00 C ATOM 68 O ILE A 5 174.976 -8.051 -3.829 1.00 0.00 O ATOM 69 CB ILE A 5 174.570 -4.986 -3.692 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.094 -3.713 -4.359 1.00 0.00 C ATOM 71 CG2 ILE A 5 173.648 -4.638 -2.532 1.00 0.00 C ATOM 72 CD1 ILE A 5 175.391 -3.880 -5.833 1.00 0.00 C ATOM 0 H ILE A 5 176.706 -6.586 -4.920 1.00 0.00 H new ATOM 0 HA ILE A 5 176.151 -5.430 -2.290 1.00 0.00 H new ATOM 0 HB ILE A 5 174.001 -5.551 -4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 5 174.359 -2.918 -4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.002 -3.392 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 5 172.827 -4.019 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.248 -5.554 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.208 -4.091 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 5 175.758 -2.938 -6.239 1.00 0.00 H new ATOM 0 HD12 ILE A 5 176.148 -4.652 -5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 5 174.480 -4.170 -6.357 1.00 0.00 H new ATOM 84 N THR A 6 175.072 -7.590 -1.628 1.00 0.00 N ATOM 85 CA THR A 6 174.591 -8.908 -1.222 1.00 0.00 C ATOM 86 C THR A 6 173.612 -8.807 -0.054 1.00 0.00 C ATOM 87 O THR A 6 174.018 -8.728 1.106 1.00 0.00 O ATOM 88 CB THR A 6 175.770 -9.808 -0.837 1.00 0.00 C ATOM 89 OG1 THR A 6 176.974 -9.064 -0.780 1.00 0.00 O ATOM 90 CG2 THR A 6 175.985 -10.956 -1.799 1.00 0.00 C ATOM 0 H THR A 6 175.274 -6.957 -0.854 1.00 0.00 H new ATOM 0 HA THR A 6 174.065 -9.346 -2.070 1.00 0.00 H new ATOM 0 HB THR A 6 175.513 -10.216 0.140 1.00 0.00 H new ATOM 0 HG1 THR A 6 177.618 -9.434 -1.420 1.00 0.00 H new ATOM 0 HG21 THR A 6 176.834 -11.554 -1.468 1.00 0.00 H new ATOM 0 HG22 THR A 6 175.091 -11.580 -1.827 1.00 0.00 H new ATOM 0 HG23 THR A 6 176.184 -10.563 -2.796 1.00 0.00 H new ATOM 98 N SER A 7 172.320 -8.816 -0.369 1.00 0.00 N ATOM 99 CA SER A 7 171.281 -8.729 0.652 1.00 0.00 C ATOM 100 C SER A 7 170.821 -10.123 1.075 1.00 0.00 C ATOM 101 O SER A 7 171.114 -11.111 0.400 1.00 0.00 O ATOM 102 CB SER A 7 170.097 -7.920 0.124 1.00 0.00 C ATOM 103 OG SER A 7 170.416 -6.539 0.061 1.00 0.00 O ATOM 0 H SER A 7 171.967 -8.883 -1.324 1.00 0.00 H new ATOM 0 HA SER A 7 171.695 -8.226 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.819 -8.279 -0.867 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.232 -8.069 0.771 1.00 0.00 H new ATOM 0 HG SER A 7 170.192 -6.112 0.914 1.00 0.00 H new ATOM 109 N LYS A 8 170.109 -10.204 2.197 1.00 0.00 N ATOM 110 CA LYS A 8 169.626 -11.488 2.702 1.00 0.00 C ATOM 111 C LYS A 8 168.246 -11.834 2.139 1.00 0.00 C ATOM 112 O LYS A 8 168.136 -12.577 1.163 1.00 0.00 O ATOM 113 CB LYS A 8 169.586 -11.481 4.233 1.00 0.00 C ATOM 114 CG LYS A 8 170.647 -12.363 4.872 1.00 0.00 C ATOM 115 CD LYS A 8 170.039 -13.339 5.868 1.00 0.00 C ATOM 116 CE LYS A 8 169.318 -12.613 6.991 1.00 0.00 C ATOM 117 NZ LYS A 8 168.954 -13.533 8.104 1.00 0.00 N ATOM 0 H LYS A 8 169.855 -9.400 2.771 1.00 0.00 H new ATOM 0 HA LYS A 8 170.324 -12.255 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 8 169.714 -10.458 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 8 168.602 -11.812 4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 8 171.176 -12.916 4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 8 171.384 -11.739 5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 8 169.341 -13.998 5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 8 170.824 -13.970 6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 8 169.953 -11.814 7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 8 168.416 -12.143 6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 168.464 -12.999 8.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 168.327 -14.281 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 169.816 -13.963 8.496 1.00 0.00 H new ATOM 131 N GLN A 9 167.196 -11.306 2.764 1.00 0.00 N ATOM 132 CA GLN A 9 165.829 -11.581 2.325 1.00 0.00 C ATOM 133 C GLN A 9 165.183 -10.343 1.711 1.00 0.00 C ATOM 134 O GLN A 9 164.348 -10.453 0.811 1.00 0.00 O ATOM 135 CB GLN A 9 164.984 -12.089 3.497 1.00 0.00 C ATOM 136 CG GLN A 9 164.741 -11.049 4.581 1.00 0.00 C ATOM 137 CD GLN A 9 165.802 -11.071 5.663 1.00 0.00 C ATOM 138 OE1 GLN A 9 165.841 -11.978 6.493 1.00 0.00 O ATOM 139 NE2 GLN A 9 166.673 -10.068 5.658 1.00 0.00 N ATOM 0 H GLN A 9 167.264 -10.688 3.573 1.00 0.00 H new ATOM 0 HA GLN A 9 165.875 -12.354 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.023 -12.433 3.116 1.00 0.00 H new ATOM 0 HB3 GLN A 9 165.479 -12.953 3.941 1.00 0.00 H new ATOM 0 HG2 GLN A 9 164.711 -10.058 4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 9 163.764 -11.223 5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 9 166.604 -9.336 4.951 1.00 0.00 H new ATOM 0 HE22 GLN A 9 167.411 -10.030 6.361 1.00 0.00 H new ATOM 148 N MET A 10 165.568 -9.168 2.195 1.00 0.00 N ATOM 149 CA MET A 10 165.018 -7.918 1.686 1.00 0.00 C ATOM 150 C MET A 10 165.498 -7.644 0.262 1.00 0.00 C ATOM 151 O MET A 10 164.980 -6.757 -0.413 1.00 0.00 O ATOM 152 CB MET A 10 165.400 -6.754 2.601 1.00 0.00 C ATOM 153 CG MET A 10 164.454 -5.569 2.505 1.00 0.00 C ATOM 154 SD MET A 10 162.779 -5.973 3.039 1.00 0.00 S ATOM 155 CE MET A 10 161.927 -4.439 2.678 1.00 0.00 C ATOM 0 H MET A 10 166.258 -9.055 2.938 1.00 0.00 H new ATOM 0 HA MET A 10 163.932 -8.014 1.668 1.00 0.00 H new ATOM 0 HB2 MET A 10 165.424 -7.106 3.632 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.409 -6.424 2.353 1.00 0.00 H new ATOM 0 HG2 MET A 10 164.839 -4.752 3.115 1.00 0.00 H new ATOM 0 HG3 MET A 10 164.427 -5.213 1.475 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.659 -3.943 3.611 1.00 0.00 H new ATOM 0 HE2 MET A 10 162.580 -3.788 2.096 1.00 0.00 H new ATOM 0 HE3 MET A 10 161.023 -4.651 2.107 1.00 0.00 H new ATOM 165 N GLU A 11 166.489 -8.419 -0.185 1.00 0.00 N ATOM 166 CA GLU A 11 167.064 -8.289 -1.527 1.00 0.00 C ATOM 167 C GLU A 11 167.265 -6.827 -1.932 1.00 0.00 C ATOM 168 O GLU A 11 166.917 -5.905 -1.195 1.00 0.00 O ATOM 169 CB GLU A 11 166.217 -9.019 -2.583 1.00 0.00 C ATOM 170 CG GLU A 11 164.720 -9.063 -2.304 1.00 0.00 C ATOM 171 CD GLU A 11 163.959 -7.970 -3.033 1.00 0.00 C ATOM 172 OE1 GLU A 11 163.708 -8.132 -4.247 1.00 0.00 O ATOM 173 OE2 GLU A 11 163.610 -6.957 -2.393 1.00 0.00 O ATOM 0 H GLU A 11 166.917 -9.157 0.375 1.00 0.00 H new ATOM 0 HA GLU A 11 168.045 -8.763 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 11 166.376 -8.537 -3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 11 166.583 -10.042 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 11 164.327 -10.035 -2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 11 164.551 -8.965 -1.232 1.00 0.00 H new ATOM 180 N ILE A 12 167.859 -6.625 -3.102 1.00 0.00 N ATOM 181 CA ILE A 12 168.131 -5.281 -3.597 1.00 0.00 C ATOM 182 C ILE A 12 167.166 -4.893 -4.713 1.00 0.00 C ATOM 183 O ILE A 12 167.201 -5.467 -5.802 1.00 0.00 O ATOM 184 CB ILE A 12 169.574 -5.151 -4.124 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.532 -6.005 -3.289 1.00 0.00 C ATOM 186 CG2 ILE A 12 170.012 -3.693 -4.115 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.629 -7.441 -3.757 1.00 0.00 C ATOM 0 H ILE A 12 168.161 -7.374 -3.725 1.00 0.00 H new ATOM 0 HA ILE A 12 167.996 -4.608 -2.750 1.00 0.00 H new ATOM 0 HB ILE A 12 169.600 -5.514 -5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 12 171.524 -5.555 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 12 170.205 -5.992 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 12 171.033 -3.617 -4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.347 -3.110 -4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.970 -3.307 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 12 171.325 -7.985 -3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 12 169.646 -7.908 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 12 170.986 -7.465 -4.787 1.00 0.00 H new ATOM 199 N THR A 13 166.316 -3.912 -4.441 1.00 0.00 N ATOM 200 CA THR A 13 165.352 -3.442 -5.428 1.00 0.00 C ATOM 201 C THR A 13 165.989 -2.374 -6.317 1.00 0.00 C ATOM 202 O THR A 13 167.004 -1.782 -5.949 1.00 0.00 O ATOM 203 CB THR A 13 164.099 -2.884 -4.736 1.00 0.00 C ATOM 204 OG1 THR A 13 164.227 -1.493 -4.506 1.00 0.00 O ATOM 205 CG2 THR A 13 163.800 -3.540 -3.404 1.00 0.00 C ATOM 0 H THR A 13 166.274 -3.426 -3.545 1.00 0.00 H new ATOM 0 HA THR A 13 165.053 -4.285 -6.051 1.00 0.00 H new ATOM 0 HB THR A 13 163.279 -3.100 -5.421 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.418 -1.158 -4.066 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.902 -3.096 -2.973 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.642 -4.608 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.641 -3.388 -2.727 1.00 0.00 H new ATOM 213 N PRO A 14 165.408 -2.110 -7.499 1.00 0.00 N ATOM 214 CA PRO A 14 165.933 -1.108 -8.432 1.00 0.00 C ATOM 215 C PRO A 14 166.180 0.240 -7.758 1.00 0.00 C ATOM 216 O PRO A 14 167.242 0.840 -7.923 1.00 0.00 O ATOM 217 CB PRO A 14 164.834 -0.983 -9.499 1.00 0.00 C ATOM 218 CG PRO A 14 163.651 -1.714 -8.952 1.00 0.00 C ATOM 219 CD PRO A 14 164.201 -2.758 -8.028 1.00 0.00 C ATOM 0 HA PRO A 14 166.900 -1.406 -8.839 1.00 0.00 H new ATOM 0 HB2 PRO A 14 164.593 0.062 -9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 14 165.157 -1.415 -10.446 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.984 -1.035 -8.421 1.00 0.00 H new ATOM 0 HG3 PRO A 14 163.069 -2.170 -9.753 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.496 -3.011 -7.236 1.00 0.00 H new ATOM 0 HD3 PRO A 14 164.435 -3.683 -8.554 1.00 0.00 H new ATOM 227 N ALA A 15 165.195 0.709 -7.000 1.00 0.00 N ATOM 228 CA ALA A 15 165.305 1.987 -6.305 1.00 0.00 C ATOM 229 C ALA A 15 166.521 2.017 -5.383 1.00 0.00 C ATOM 230 O ALA A 15 167.337 2.936 -5.448 1.00 0.00 O ATOM 231 CB ALA A 15 164.035 2.267 -5.516 1.00 0.00 C ATOM 0 H ALA A 15 164.311 0.223 -6.851 1.00 0.00 H new ATOM 0 HA ALA A 15 165.437 2.767 -7.055 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.130 3.223 -5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.184 2.303 -6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 15 163.880 1.475 -4.783 1.00 0.00 H new ATOM 237 N ILE A 16 166.632 1.011 -4.520 1.00 0.00 N ATOM 238 CA ILE A 16 167.746 0.930 -3.582 1.00 0.00 C ATOM 239 C ILE A 16 169.082 0.815 -4.310 1.00 0.00 C ATOM 240 O ILE A 16 169.982 1.626 -4.098 1.00 0.00 O ATOM 241 CB ILE A 16 167.585 -0.266 -2.618 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.204 -0.219 -1.954 1.00 0.00 C ATOM 243 CG2 ILE A 16 168.693 -0.255 -1.571 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.096 -1.045 -0.687 1.00 0.00 C ATOM 0 H ILE A 16 165.965 0.242 -4.451 1.00 0.00 H new ATOM 0 HA ILE A 16 167.737 1.854 -3.005 1.00 0.00 H new ATOM 0 HB ILE A 16 167.665 -1.194 -3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 16 165.960 0.817 -1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.458 -0.569 -2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 16 168.567 -1.104 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 16 169.662 -0.325 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 16 168.644 0.672 -0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.088 -0.958 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.306 -2.090 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 16 166.816 -0.682 0.046 1.00 0.00 H new ATOM 256 N ARG A 17 169.209 -0.198 -5.164 1.00 0.00 N ATOM 257 CA ARG A 17 170.444 -0.414 -5.914 1.00 0.00 C ATOM 258 C ARG A 17 170.934 0.887 -6.556 1.00 0.00 C ATOM 259 O ARG A 17 172.133 1.080 -6.754 1.00 0.00 O ATOM 260 CB ARG A 17 170.239 -1.503 -6.977 1.00 0.00 C ATOM 261 CG ARG A 17 169.791 -0.986 -8.337 1.00 0.00 C ATOM 262 CD ARG A 17 170.965 -0.862 -9.297 1.00 0.00 C ATOM 263 NE ARG A 17 170.844 0.305 -10.166 1.00 0.00 N ATOM 264 CZ ARG A 17 171.805 0.716 -10.991 1.00 0.00 C ATOM 265 NH1 ARG A 17 172.955 0.058 -11.061 1.00 0.00 N ATOM 266 NH2 ARG A 17 171.615 1.787 -11.748 1.00 0.00 N ATOM 0 H ARG A 17 168.475 -0.880 -5.354 1.00 0.00 H new ATOM 0 HA ARG A 17 171.212 -0.750 -5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 17 171.173 -2.051 -7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.498 -2.214 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 17 169.045 -1.661 -8.757 1.00 0.00 H new ATOM 0 HG3 ARG A 17 169.311 -0.014 -8.219 1.00 0.00 H new ATOM 0 HD2 ARG A 17 171.892 -0.795 -8.728 1.00 0.00 H new ATOM 0 HD3 ARG A 17 171.030 -1.763 -9.907 1.00 0.00 H new ATOM 0 HE ARG A 17 169.973 0.836 -10.140 1.00 0.00 H new ATOM 0 HH11 ARG A 17 173.106 -0.767 -10.481 1.00 0.00 H new ATOM 0 HH12 ARG A 17 173.688 0.377 -11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 17 170.733 2.296 -11.699 1.00 0.00 H new ATOM 0 HH22 ARG A 17 172.351 2.102 -12.380 1.00 0.00 H new ATOM 280 N GLN A 18 169.997 1.776 -6.874 1.00 0.00 N ATOM 281 CA GLN A 18 170.333 3.055 -7.489 1.00 0.00 C ATOM 282 C GLN A 18 170.911 4.020 -6.457 1.00 0.00 C ATOM 283 O GLN A 18 171.955 4.632 -6.681 1.00 0.00 O ATOM 284 CB GLN A 18 169.096 3.672 -8.143 1.00 0.00 C ATOM 285 CG GLN A 18 169.423 4.691 -9.222 1.00 0.00 C ATOM 286 CD GLN A 18 169.388 4.093 -10.616 1.00 0.00 C ATOM 287 OE1 GLN A 18 168.807 3.031 -10.833 1.00 0.00 O ATOM 288 NE2 GLN A 18 170.014 4.775 -11.568 1.00 0.00 N ATOM 0 H GLN A 18 168.999 1.634 -6.716 1.00 0.00 H new ATOM 0 HA GLN A 18 171.088 2.874 -8.254 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.490 2.877 -8.577 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.490 4.151 -7.374 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.712 5.515 -9.166 1.00 0.00 H new ATOM 0 HG3 GLN A 18 170.412 5.109 -9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 18 170.483 5.652 -11.342 1.00 0.00 H new ATOM 0 HE22 GLN A 18 170.026 4.422 -12.525 1.00 0.00 H new ATOM 297 N HIS A 19 170.226 4.150 -5.324 1.00 0.00 N ATOM 298 CA HIS A 19 170.670 5.040 -4.253 1.00 0.00 C ATOM 299 C HIS A 19 172.119 4.751 -3.871 1.00 0.00 C ATOM 300 O HIS A 19 172.879 5.661 -3.547 1.00 0.00 O ATOM 301 CB HIS A 19 169.767 4.879 -3.028 1.00 0.00 C ATOM 302 CG HIS A 19 169.407 6.173 -2.364 1.00 0.00 C ATOM 303 ND1 HIS A 19 170.187 6.775 -1.399 1.00 0.00 N ATOM 304 CD2 HIS A 19 168.329 6.973 -2.523 1.00 0.00 C ATOM 305 CE1 HIS A 19 169.599 7.886 -0.991 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.472 8.030 -1.660 1.00 0.00 N ATOM 0 H HIS A 19 169.360 3.650 -5.123 1.00 0.00 H new ATOM 0 HA HIS A 19 170.607 6.066 -4.614 1.00 0.00 H new ATOM 0 HB2 HIS A 19 168.852 4.369 -3.328 1.00 0.00 H new ATOM 0 HB3 HIS A 19 170.266 4.237 -2.303 1.00 0.00 H new ATOM 0 HD2 HIS A 19 167.507 6.810 -3.204 1.00 0.00 H new ATOM 0 HE1 HIS A 19 169.977 8.561 -0.238 1.00 0.00 H new ATOM 0 HE2 HIS A 19 167.814 8.802 -1.553 1.00 0.00 H new ATOM 315 N VAL A 20 172.491 3.475 -3.915 1.00 0.00 N ATOM 316 CA VAL A 20 173.847 3.063 -3.575 1.00 0.00 C ATOM 317 C VAL A 20 174.826 3.436 -4.683 1.00 0.00 C ATOM 318 O VAL A 20 175.908 3.957 -4.417 1.00 0.00 O ATOM 319 CB VAL A 20 173.933 1.544 -3.321 1.00 0.00 C ATOM 320 CG1 VAL A 20 175.193 1.204 -2.542 1.00 0.00 C ATOM 321 CG2 VAL A 20 172.695 1.048 -2.587 1.00 0.00 C ATOM 0 H VAL A 20 171.872 2.710 -4.183 1.00 0.00 H new ATOM 0 HA VAL A 20 174.115 3.590 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 20 173.979 1.038 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 20 175.237 0.128 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 20 176.068 1.517 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 20 175.179 1.722 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 20 172.778 -0.026 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 20 172.611 1.560 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 20 171.809 1.254 -3.188 1.00 0.00 H new ATOM 331 N ALA A 21 174.438 3.165 -5.924 1.00 0.00 N ATOM 332 CA ALA A 21 175.284 3.475 -7.072 1.00 0.00 C ATOM 333 C ALA A 21 175.615 4.963 -7.123 1.00 0.00 C ATOM 334 O ALA A 21 176.765 5.346 -7.342 1.00 0.00 O ATOM 335 CB ALA A 21 174.604 3.039 -8.362 1.00 0.00 C ATOM 0 H ALA A 21 173.545 2.732 -6.161 1.00 0.00 H new ATOM 0 HA ALA A 21 176.219 2.925 -6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 21 175.246 3.276 -9.210 1.00 0.00 H new ATOM 0 HB2 ALA A 21 174.424 1.964 -8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.654 3.564 -8.468 1.00 0.00 H new ATOM 341 N ASP A 22 174.601 5.797 -6.919 1.00 0.00 N ATOM 342 CA ASP A 22 174.780 7.243 -6.939 1.00 0.00 C ATOM 343 C ASP A 22 175.772 7.681 -5.862 1.00 0.00 C ATOM 344 O ASP A 22 176.792 8.303 -6.159 1.00 0.00 O ATOM 345 CB ASP A 22 173.426 7.942 -6.743 1.00 0.00 C ATOM 346 CG ASP A 22 173.556 9.359 -6.208 1.00 0.00 C ATOM 347 OD1 ASP A 22 173.868 10.269 -7.005 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.343 9.555 -4.993 1.00 0.00 O ATOM 0 H ASP A 22 173.644 5.494 -6.737 1.00 0.00 H new ATOM 0 HA ASP A 22 175.187 7.530 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 22 172.896 7.967 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 22 172.818 7.355 -6.055 1.00 0.00 H new ATOM 353 N ARG A 23 175.460 7.353 -4.613 1.00 0.00 N ATOM 354 CA ARG A 23 176.316 7.714 -3.490 1.00 0.00 C ATOM 355 C ARG A 23 177.685 7.047 -3.603 1.00 0.00 C ATOM 356 O ARG A 23 178.717 7.695 -3.433 1.00 0.00 O ATOM 357 CB ARG A 23 175.653 7.316 -2.172 1.00 0.00 C ATOM 358 CG ARG A 23 174.771 8.406 -1.583 1.00 0.00 C ATOM 359 CD ARG A 23 175.371 8.978 -0.309 1.00 0.00 C ATOM 360 NE ARG A 23 174.820 10.290 0.019 1.00 0.00 N ATOM 361 CZ ARG A 23 173.568 10.491 0.420 1.00 0.00 C ATOM 362 NH1 ARG A 23 172.734 9.467 0.554 1.00 0.00 N ATOM 363 NH2 ARG A 23 173.147 11.719 0.696 1.00 0.00 N ATOM 0 H ARG A 23 174.619 6.837 -4.353 1.00 0.00 H new ATOM 0 HA ARG A 23 176.459 8.794 -3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 23 175.052 6.421 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 23 176.426 7.056 -1.449 1.00 0.00 H new ATOM 0 HG2 ARG A 23 174.638 9.203 -2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 23 173.782 8.000 -1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 23 175.187 8.292 0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 23 176.452 9.058 -0.422 1.00 0.00 H new ATOM 0 HE ARG A 23 175.432 11.101 -0.065 1.00 0.00 H new ATOM 0 HH11 ARG A 23 173.052 8.520 0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 23 171.775 9.627 0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 23 173.784 12.510 0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 23 172.187 11.872 1.003 1.00 0.00 H new ATOM 377 N LEU A 24 177.684 5.749 -3.887 1.00 0.00 N ATOM 378 CA LEU A 24 178.926 4.992 -4.020 1.00 0.00 C ATOM 379 C LEU A 24 179.882 5.666 -4.998 1.00 0.00 C ATOM 380 O LEU A 24 181.085 5.749 -4.748 1.00 0.00 O ATOM 381 CB LEU A 24 178.628 3.563 -4.481 1.00 0.00 C ATOM 382 CG LEU A 24 179.843 2.629 -4.515 1.00 0.00 C ATOM 383 CD1 LEU A 24 179.625 1.435 -3.597 1.00 0.00 C ATOM 384 CD2 LEU A 24 180.123 2.167 -5.937 1.00 0.00 C ATOM 0 H LEU A 24 176.838 5.198 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 24 179.406 4.961 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 24 177.876 3.133 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.190 3.602 -5.478 1.00 0.00 H new ATOM 0 HG LEU A 24 180.711 3.182 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 24 180.498 0.783 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 24 179.476 1.784 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 24 178.745 0.881 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 24 180.989 1.505 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 24 179.255 1.632 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 24 180.326 3.033 -6.568 1.00 0.00 H new ATOM 396 N ALA A 25 179.341 6.148 -6.112 1.00 0.00 N ATOM 397 CA ALA A 25 180.149 6.815 -7.125 1.00 0.00 C ATOM 398 C ALA A 25 180.640 8.170 -6.625 1.00 0.00 C ATOM 399 O ALA A 25 181.757 8.588 -6.928 1.00 0.00 O ATOM 400 CB ALA A 25 179.354 6.981 -8.411 1.00 0.00 C ATOM 0 H ALA A 25 178.348 6.089 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 25 181.020 6.193 -7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.971 7.481 -9.158 1.00 0.00 H new ATOM 0 HB2 ALA A 25 179.056 6.001 -8.783 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.465 7.580 -8.214 1.00 0.00 H new ATOM 406 N LYS A 26 179.796 8.851 -5.855 1.00 0.00 N ATOM 407 CA LYS A 26 180.142 10.158 -5.311 1.00 0.00 C ATOM 408 C LYS A 26 181.251 10.037 -4.270 1.00 0.00 C ATOM 409 O LYS A 26 182.116 10.907 -4.166 1.00 0.00 O ATOM 410 CB LYS A 26 178.911 10.817 -4.690 1.00 0.00 C ATOM 411 CG LYS A 26 177.824 11.151 -5.700 1.00 0.00 C ATOM 412 CD LYS A 26 177.548 12.646 -5.753 1.00 0.00 C ATOM 413 CE LYS A 26 176.548 13.067 -4.689 1.00 0.00 C ATOM 414 NZ LYS A 26 176.874 14.401 -4.116 1.00 0.00 N ATOM 0 H LYS A 26 178.868 8.518 -5.594 1.00 0.00 H new ATOM 0 HA LYS A 26 180.504 10.781 -6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 26 178.498 10.153 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.216 11.732 -4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 26 178.124 10.801 -6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 26 176.908 10.621 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 26 178.480 13.194 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 26 177.165 12.911 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 26 175.548 13.092 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 26 176.532 12.324 -3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 176.168 14.651 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 177.818 14.371 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 176.864 15.115 -4.872 1.00 0.00 H new ATOM 428 N LEU A 27 181.219 8.953 -3.502 1.00 0.00 N ATOM 429 CA LEU A 27 182.222 8.720 -2.469 1.00 0.00 C ATOM 430 C LEU A 27 183.602 8.479 -3.080 1.00 0.00 C ATOM 431 O LEU A 27 184.611 8.498 -2.377 1.00 0.00 O ATOM 432 CB LEU A 27 181.824 7.527 -1.598 1.00 0.00 C ATOM 433 CG LEU A 27 182.343 7.579 -0.160 1.00 0.00 C ATOM 434 CD1 LEU A 27 181.332 8.260 0.748 1.00 0.00 C ATOM 435 CD2 LEU A 27 182.658 6.179 0.347 1.00 0.00 C ATOM 0 H LEU A 27 180.511 8.223 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 27 182.274 9.615 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 27 180.736 7.460 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 27 182.190 6.614 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 27 183.263 8.163 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 27 181.719 8.288 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 27 181.157 9.278 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 27 180.395 7.704 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 27 183.026 6.237 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 27 181.754 5.570 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 27 183.420 5.725 -0.287 1.00 0.00 H new ATOM 447 N GLU A 28 183.646 8.257 -4.390 1.00 0.00 N ATOM 448 CA GLU A 28 184.910 8.018 -5.079 1.00 0.00 C ATOM 449 C GLU A 28 185.869 9.195 -4.896 1.00 0.00 C ATOM 450 O GLU A 28 187.076 9.057 -5.102 1.00 0.00 O ATOM 451 CB GLU A 28 184.665 7.773 -6.569 1.00 0.00 C ATOM 452 CG GLU A 28 185.937 7.532 -7.366 1.00 0.00 C ATOM 453 CD GLU A 28 185.756 6.507 -8.470 1.00 0.00 C ATOM 454 OE1 GLU A 28 184.650 5.936 -8.578 1.00 0.00 O ATOM 455 OE2 GLU A 28 186.722 6.275 -9.226 1.00 0.00 O ATOM 0 H GLU A 28 182.824 8.238 -4.994 1.00 0.00 H new ATOM 0 HA GLU A 28 185.368 7.131 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 28 184.007 6.912 -6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 28 184.141 8.632 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 28 186.270 8.474 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 28 186.725 7.197 -6.691 1.00 0.00 H new ATOM 462 N LYS A 29 185.330 10.352 -4.516 1.00 0.00 N ATOM 463 CA LYS A 29 186.147 11.543 -4.316 1.00 0.00 C ATOM 464 C LYS A 29 186.544 11.709 -2.851 1.00 0.00 C ATOM 465 O LYS A 29 186.716 12.830 -2.369 1.00 0.00 O ATOM 466 CB LYS A 29 185.395 12.787 -4.796 1.00 0.00 C ATOM 467 CG LYS A 29 185.158 12.813 -6.297 1.00 0.00 C ATOM 468 CD LYS A 29 183.840 12.155 -6.665 1.00 0.00 C ATOM 469 CE LYS A 29 183.907 11.497 -8.034 1.00 0.00 C ATOM 470 NZ LYS A 29 182.717 10.644 -8.301 1.00 0.00 N ATOM 0 H LYS A 29 184.334 10.488 -4.341 1.00 0.00 H new ATOM 0 HA LYS A 29 187.058 11.423 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 29 184.434 12.841 -4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 29 185.959 13.675 -4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 29 185.161 13.845 -6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 29 185.976 12.301 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 29 183.583 11.408 -5.914 1.00 0.00 H new ATOM 0 HD3 LYS A 29 183.045 12.901 -6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 29 183.982 12.266 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 29 184.810 10.891 -8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 182.871 10.097 -9.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 182.571 9.992 -7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 181.877 11.246 -8.414 1.00 0.00 H new ATOM 484 N TRP A 30 186.695 10.591 -2.146 1.00 0.00 N ATOM 485 CA TRP A 30 187.079 10.623 -0.737 1.00 0.00 C ATOM 486 C TRP A 30 188.546 10.241 -0.568 1.00 0.00 C ATOM 487 O TRP A 30 188.941 9.688 0.456 1.00 0.00 O ATOM 488 CB TRP A 30 186.198 9.672 0.080 1.00 0.00 C ATOM 489 CG TRP A 30 185.251 10.377 1.000 1.00 0.00 C ATOM 490 CD1 TRP A 30 183.904 10.520 0.836 1.00 0.00 C ATOM 491 CD2 TRP A 30 185.578 11.036 2.230 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.373 11.225 1.889 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.381 11.553 2.758 1.00 0.00 C ATOM 494 CE3 TRP A 30 186.769 11.234 2.936 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.339 12.257 3.958 1.00 0.00 C ATOM 496 CZ3 TRP A 30 186.726 11.934 4.127 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.519 12.438 4.628 1.00 0.00 C ATOM 0 H TRP A 30 186.558 9.654 -2.525 1.00 0.00 H new ATOM 0 HA TRP A 30 186.938 11.640 -0.372 1.00 0.00 H new ATOM 0 HB2 TRP A 30 185.628 9.042 -0.602 1.00 0.00 H new ATOM 0 HB3 TRP A 30 186.837 9.011 0.666 1.00 0.00 H new ATOM 0 HD1 TRP A 30 183.338 10.135 0.001 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.389 11.465 2.005 1.00 0.00 H new ATOM 0 HE3 TRP A 30 187.704 10.848 2.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.409 12.646 4.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.639 12.095 4.681 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.519 12.980 5.562 1.00 0.00 H new ATOM 508 N GLN A 31 189.352 10.530 -1.585 1.00 0.00 N ATOM 509 CA GLN A 31 190.778 10.211 -1.550 1.00 0.00 C ATOM 510 C GLN A 31 191.022 8.703 -1.457 1.00 0.00 C ATOM 511 O GLN A 31 192.170 8.257 -1.428 1.00 0.00 O ATOM 512 CB GLN A 31 191.449 10.920 -0.369 1.00 0.00 C ATOM 513 CG GLN A 31 192.943 10.663 -0.277 1.00 0.00 C ATOM 514 CD GLN A 31 193.711 11.867 0.234 1.00 0.00 C ATOM 515 OE1 GLN A 31 194.022 11.961 1.422 1.00 0.00 O ATOM 516 NE2 GLN A 31 194.022 12.796 -0.662 1.00 0.00 N ATOM 0 H GLN A 31 189.043 10.985 -2.444 1.00 0.00 H new ATOM 0 HA GLN A 31 191.216 10.563 -2.484 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.278 11.993 -0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 31 190.975 10.595 0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 31 193.122 9.815 0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 31 193.322 10.386 -1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 31 193.745 12.678 -1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 31 194.538 13.628 -0.376 1.00 0.00 H new ATOM 525 N THR A 32 189.947 7.916 -1.413 1.00 0.00 N ATOM 526 CA THR A 32 190.066 6.466 -1.328 1.00 0.00 C ATOM 527 C THR A 32 190.123 5.846 -2.723 1.00 0.00 C ATOM 528 O THR A 32 190.088 6.556 -3.728 1.00 0.00 O ATOM 529 CB THR A 32 188.894 5.885 -0.536 1.00 0.00 C ATOM 530 OG1 THR A 32 188.886 4.471 -0.610 1.00 0.00 O ATOM 531 CG2 THR A 32 187.547 6.377 -1.014 1.00 0.00 C ATOM 0 H THR A 32 188.987 8.260 -1.435 1.00 0.00 H new ATOM 0 HA THR A 32 190.994 6.227 -0.809 1.00 0.00 H new ATOM 0 HB THR A 32 189.045 6.224 0.489 1.00 0.00 H new ATOM 0 HG1 THR A 32 188.129 4.121 -0.095 1.00 0.00 H new ATOM 0 HG21 THR A 32 186.760 5.926 -0.410 1.00 0.00 H new ATOM 0 HG22 THR A 32 187.501 7.462 -0.919 1.00 0.00 H new ATOM 0 HG23 THR A 32 187.407 6.098 -2.058 1.00 0.00 H new ATOM 539 N HIS A 33 190.225 4.522 -2.779 1.00 0.00 N ATOM 540 CA HIS A 33 190.302 3.816 -4.053 1.00 0.00 C ATOM 541 C HIS A 33 189.430 2.556 -4.066 1.00 0.00 C ATOM 542 O HIS A 33 189.470 1.794 -5.030 1.00 0.00 O ATOM 543 CB HIS A 33 191.753 3.439 -4.356 1.00 0.00 C ATOM 544 CG HIS A 33 192.334 2.466 -3.376 1.00 0.00 C ATOM 545 ND1 HIS A 33 191.772 1.833 -2.319 1.00 0.00 N flip ATOM 546 CD2 HIS A 33 193.645 2.042 -3.421 1.00 0.00 C flip ATOM 547 CE1 HIS A 33 192.744 1.048 -1.752 1.00 0.00 C flip ATOM 548 NE2 HIS A 33 193.864 1.189 -2.434 1.00 0.00 N flip ATOM 0 H HIS A 33 190.256 3.917 -1.958 1.00 0.00 H new ATOM 0 HA HIS A 33 189.925 4.490 -4.822 1.00 0.00 H new ATOM 0 HB2 HIS A 33 191.808 3.011 -5.357 1.00 0.00 H new ATOM 0 HB3 HIS A 33 192.361 4.343 -4.362 1.00 0.00 H new ATOM 0 HD2 HIS A 33 194.379 2.357 -4.148 1.00 0.00 H new ATOM 0 HE1 HIS A 33 192.613 0.416 -0.886 1.00 0.00 H new ATOM 0 HE2 HIS A 33 194.748 0.720 -2.235 1.00 0.00 H new ATOM 557 N LEU A 34 188.660 2.340 -2.987 1.00 0.00 N ATOM 558 CA LEU A 34 187.779 1.166 -2.846 1.00 0.00 C ATOM 559 C LEU A 34 187.834 0.230 -4.052 1.00 0.00 C ATOM 560 O LEU A 34 187.408 0.582 -5.151 1.00 0.00 O ATOM 561 CB LEU A 34 186.325 1.589 -2.585 1.00 0.00 C ATOM 562 CG LEU A 34 185.861 2.891 -3.248 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.525 4.091 -2.599 1.00 0.00 C ATOM 564 CD2 LEU A 34 186.131 2.866 -4.744 1.00 0.00 C ATOM 0 H LEU A 34 188.630 2.973 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 34 188.156 0.614 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 34 185.670 0.784 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 34 186.186 1.686 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 34 184.784 2.979 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 34 186.181 5.004 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 34 186.265 4.123 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.607 4.009 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 34 185.793 3.801 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 34 187.200 2.746 -4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 34 185.594 2.033 -5.197 1.00 0.00 H new ATOM 576 N ILE A 35 188.366 -0.970 -3.839 1.00 0.00 N ATOM 577 CA ILE A 35 188.480 -1.952 -4.914 1.00 0.00 C ATOM 578 C ILE A 35 187.208 -2.786 -5.043 1.00 0.00 C ATOM 579 O ILE A 35 186.513 -2.724 -6.058 1.00 0.00 O ATOM 580 CB ILE A 35 189.678 -2.900 -4.697 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.815 -2.188 -3.956 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.173 -3.441 -6.030 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.229 -0.879 -4.592 1.00 0.00 C ATOM 0 H ILE A 35 188.723 -1.285 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 35 188.636 -1.386 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 35 189.342 -3.735 -4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 35 190.505 -2.000 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 35 191.680 -2.850 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.018 -4.108 -5.861 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.370 -3.991 -6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.486 -2.612 -6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 35 192.038 -0.433 -4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 35 191.570 -1.061 -5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 35 190.378 -0.198 -4.611 1.00 0.00 H new ATOM 595 N ASN A 36 186.914 -3.572 -4.010 1.00 0.00 N ATOM 596 CA ASN A 36 185.731 -4.425 -4.012 1.00 0.00 C ATOM 597 C ASN A 36 184.692 -3.937 -3.005 1.00 0.00 C ATOM 598 O ASN A 36 184.570 -4.487 -1.910 1.00 0.00 O ATOM 599 CB ASN A 36 186.124 -5.871 -3.696 1.00 0.00 C ATOM 600 CG ASN A 36 186.533 -6.641 -4.937 1.00 0.00 C ATOM 601 OD1 ASN A 36 186.503 -6.113 -6.048 1.00 0.00 O ATOM 602 ND2 ASN A 36 186.920 -7.898 -4.752 1.00 0.00 N ATOM 0 H ASN A 36 187.478 -3.635 -3.163 1.00 0.00 H new ATOM 0 HA ASN A 36 185.287 -4.379 -5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 36 186.947 -5.873 -2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 36 185.285 -6.377 -3.217 1.00 0.00 H new ATOM 0 HD21 ASN A 36 187.208 -8.466 -5.549 1.00 0.00 H new ATOM 0 HD22 ASN A 36 186.929 -8.296 -3.813 1.00 0.00 H new ATOM 609 N PRO A 37 183.928 -2.892 -3.364 1.00 0.00 N ATOM 610 CA PRO A 37 182.892 -2.328 -2.491 1.00 0.00 C ATOM 611 C PRO A 37 181.647 -3.208 -2.422 1.00 0.00 C ATOM 612 O PRO A 37 180.912 -3.338 -3.400 1.00 0.00 O ATOM 613 CB PRO A 37 182.569 -0.995 -3.167 1.00 0.00 C ATOM 614 CG PRO A 37 182.827 -1.248 -4.609 1.00 0.00 C ATOM 615 CD PRO A 37 184.010 -2.177 -4.654 1.00 0.00 C ATOM 0 HA PRO A 37 183.226 -2.235 -1.458 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.534 -0.700 -2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 37 183.198 -0.191 -2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 37 181.958 -1.697 -5.089 1.00 0.00 H new ATOM 0 HG3 PRO A 37 183.039 -0.319 -5.138 1.00 0.00 H new ATOM 0 HD2 PRO A 37 183.951 -2.863 -5.499 1.00 0.00 H new ATOM 0 HD3 PRO A 37 184.948 -1.630 -4.752 1.00 0.00 H new ATOM 623 N HIS A 38 181.416 -3.810 -1.259 1.00 0.00 N ATOM 624 CA HIS A 38 180.259 -4.676 -1.061 1.00 0.00 C ATOM 625 C HIS A 38 179.172 -3.960 -0.263 1.00 0.00 C ATOM 626 O HIS A 38 179.467 -3.142 0.607 1.00 0.00 O ATOM 627 CB HIS A 38 180.677 -5.963 -0.343 1.00 0.00 C ATOM 628 CG HIS A 38 180.371 -7.208 -1.119 1.00 0.00 C ATOM 629 ND1 HIS A 38 181.319 -8.166 -1.406 1.00 0.00 N ATOM 630 CD2 HIS A 38 179.214 -7.650 -1.665 1.00 0.00 C ATOM 631 CE1 HIS A 38 180.759 -9.143 -2.097 1.00 0.00 C ATOM 632 NE2 HIS A 38 179.482 -8.855 -2.266 1.00 0.00 N ATOM 0 H HIS A 38 182.015 -3.714 -0.439 1.00 0.00 H new ATOM 0 HA HIS A 38 179.854 -4.931 -2.040 1.00 0.00 H new ATOM 0 HB2 HIS A 38 181.747 -5.925 -0.140 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.171 -6.012 0.621 1.00 0.00 H new ATOM 0 HD1 HIS A 38 182.300 -8.127 -1.128 1.00 0.00 H new ATOM 0 HD2 HIS A 38 178.258 -7.148 -1.634 1.00 0.00 H new ATOM 0 HE1 HIS A 38 181.261 -10.027 -2.462 1.00 0.00 H new ATOM 641 N ILE A 39 177.915 -4.273 -0.567 1.00 0.00 N ATOM 642 CA ILE A 39 176.787 -3.655 0.121 1.00 0.00 C ATOM 643 C ILE A 39 175.735 -4.694 0.506 1.00 0.00 C ATOM 644 O ILE A 39 175.142 -5.343 -0.353 1.00 0.00 O ATOM 645 CB ILE A 39 176.133 -2.560 -0.751 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.126 -1.427 -1.009 1.00 0.00 C ATOM 647 CG2 ILE A 39 174.872 -2.021 -0.086 1.00 0.00 C ATOM 648 CD1 ILE A 39 177.973 -1.634 -2.243 1.00 0.00 C ATOM 0 H ILE A 39 177.653 -4.950 -1.284 1.00 0.00 H new ATOM 0 HA ILE A 39 177.179 -3.197 1.029 1.00 0.00 H new ATOM 0 HB ILE A 39 175.851 -3.003 -1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 39 176.578 -0.490 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.780 -1.324 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.428 -1.251 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.158 -2.833 0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.127 -1.593 0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 39 178.654 -0.791 -2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 39 178.549 -2.554 -2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 39 177.328 -1.707 -3.119 1.00 0.00 H new ATOM 660 N ILE A 40 175.508 -4.841 1.806 1.00 0.00 N ATOM 661 CA ILE A 40 174.526 -5.794 2.310 1.00 0.00 C ATOM 662 C ILE A 40 173.362 -5.067 2.979 1.00 0.00 C ATOM 663 O ILE A 40 173.470 -4.628 4.124 1.00 0.00 O ATOM 664 CB ILE A 40 175.166 -6.781 3.314 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.188 -7.672 2.603 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.100 -7.629 3.995 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.623 -7.354 2.959 1.00 0.00 C ATOM 0 H ILE A 40 175.991 -4.312 2.531 1.00 0.00 H new ATOM 0 HA ILE A 40 174.152 -6.360 1.456 1.00 0.00 H new ATOM 0 HB ILE A 40 175.680 -6.204 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 40 175.984 -8.714 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 40 176.059 -7.570 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.574 -8.315 4.696 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.408 -6.981 4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.553 -8.199 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.290 -8.025 2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.846 -6.323 2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 40 177.769 -7.485 4.031 1.00 0.00 H new ATOM 679 N LEU A 41 172.252 -4.941 2.258 1.00 0.00 N ATOM 680 CA LEU A 41 171.073 -4.264 2.788 1.00 0.00 C ATOM 681 C LEU A 41 169.977 -5.276 3.114 1.00 0.00 C ATOM 682 O LEU A 41 169.261 -5.742 2.229 1.00 0.00 O ATOM 683 CB LEU A 41 170.575 -3.218 1.777 1.00 0.00 C ATOM 684 CG LEU A 41 169.062 -2.952 1.763 1.00 0.00 C ATOM 685 CD1 LEU A 41 168.783 -1.456 1.755 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.415 -3.620 0.557 1.00 0.00 C ATOM 0 H LEU A 41 172.144 -5.297 1.308 1.00 0.00 H new ATOM 0 HA LEU A 41 171.341 -3.753 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.086 -2.277 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.876 -3.536 0.779 1.00 0.00 H new ATOM 0 HG LEU A 41 168.629 -3.378 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 41 167.706 -1.287 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 41 169.214 -1.001 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.229 -1.007 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.343 -3.422 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.853 -3.222 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.585 -4.696 0.602 1.00 0.00 H new ATOM 698 N SER A 42 169.863 -5.619 4.391 1.00 0.00 N ATOM 699 CA SER A 42 168.867 -6.584 4.841 1.00 0.00 C ATOM 700 C SER A 42 167.825 -5.923 5.738 1.00 0.00 C ATOM 701 O SER A 42 167.986 -4.775 6.150 1.00 0.00 O ATOM 702 CB SER A 42 169.551 -7.727 5.592 1.00 0.00 C ATOM 703 OG SER A 42 170.449 -8.422 4.746 1.00 0.00 O ATOM 0 H SER A 42 170.450 -5.242 5.135 1.00 0.00 H new ATOM 0 HA SER A 42 168.357 -6.980 3.963 1.00 0.00 H new ATOM 0 HB2 SER A 42 170.089 -7.331 6.453 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.799 -8.417 5.976 1.00 0.00 H new ATOM 0 HG SER A 42 171.095 -8.917 5.291 1.00 0.00 H new ATOM 709 N LYS A 43 166.757 -6.657 6.038 1.00 0.00 N ATOM 710 CA LYS A 43 165.691 -6.142 6.889 1.00 0.00 C ATOM 711 C LYS A 43 165.889 -6.588 8.335 1.00 0.00 C ATOM 712 O LYS A 43 165.807 -7.777 8.645 1.00 0.00 O ATOM 713 CB LYS A 43 164.330 -6.616 6.378 1.00 0.00 C ATOM 714 CG LYS A 43 163.161 -5.820 6.938 1.00 0.00 C ATOM 715 CD LYS A 43 162.522 -6.525 8.123 1.00 0.00 C ATOM 716 CE LYS A 43 161.992 -5.531 9.145 1.00 0.00 C ATOM 717 NZ LYS A 43 160.605 -5.861 9.573 1.00 0.00 N ATOM 0 H LYS A 43 166.608 -7.609 5.704 1.00 0.00 H new ATOM 0 HA LYS A 43 165.724 -5.053 6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.316 -6.550 5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 43 164.200 -7.667 6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.506 -4.832 7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.415 -5.670 6.158 1.00 0.00 H new ATOM 0 HD2 LYS A 43 161.707 -7.159 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 43 163.254 -7.179 8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 43 162.648 -5.521 10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 43 162.012 -4.528 8.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 160.281 -5.160 10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 159.974 -5.846 8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 160.590 -6.808 10.002 1.00 0.00 H new ATOM 731 N GLU A 44 166.154 -5.629 9.215 1.00 0.00 N ATOM 732 CA GLU A 44 166.369 -5.923 10.627 1.00 0.00 C ATOM 733 C GLU A 44 165.182 -5.461 11.471 1.00 0.00 C ATOM 734 O GLU A 44 164.540 -4.458 11.159 1.00 0.00 O ATOM 735 CB GLU A 44 167.665 -5.256 11.113 1.00 0.00 C ATOM 736 CG GLU A 44 167.606 -4.716 12.536 1.00 0.00 C ATOM 737 CD GLU A 44 168.923 -4.116 12.987 1.00 0.00 C ATOM 738 OE1 GLU A 44 169.384 -3.146 12.350 1.00 0.00 O ATOM 739 OE2 GLU A 44 169.494 -4.618 13.979 1.00 0.00 O ATOM 0 H GLU A 44 166.225 -4.640 8.975 1.00 0.00 H new ATOM 0 HA GLU A 44 166.462 -7.003 10.742 1.00 0.00 H new ATOM 0 HB2 GLU A 44 168.477 -5.980 11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 44 167.912 -4.437 10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 44 166.825 -3.959 12.601 1.00 0.00 H new ATOM 0 HG3 GLU A 44 167.327 -5.522 13.215 1.00 0.00 H new ATOM 746 N PRO A 45 164.883 -6.193 12.561 1.00 0.00 N ATOM 747 CA PRO A 45 163.787 -5.879 13.471 1.00 0.00 C ATOM 748 C PRO A 45 163.571 -4.381 13.651 1.00 0.00 C ATOM 749 O PRO A 45 162.449 -3.887 13.558 1.00 0.00 O ATOM 750 CB PRO A 45 164.243 -6.496 14.803 1.00 0.00 C ATOM 751 CG PRO A 45 165.426 -7.371 14.493 1.00 0.00 C ATOM 752 CD PRO A 45 165.595 -7.397 12.998 1.00 0.00 C ATOM 0 HA PRO A 45 162.839 -6.262 13.094 1.00 0.00 H new ATOM 0 HB2 PRO A 45 164.514 -5.718 15.517 1.00 0.00 H new ATOM 0 HB3 PRO A 45 163.440 -7.078 15.255 1.00 0.00 H new ATOM 0 HG2 PRO A 45 166.325 -6.984 14.973 1.00 0.00 H new ATOM 0 HG3 PRO A 45 165.268 -8.379 14.878 1.00 0.00 H new ATOM 0 HD2 PRO A 45 166.646 -7.370 12.711 1.00 0.00 H new ATOM 0 HD3 PRO A 45 165.168 -8.299 12.560 1.00 0.00 H new ATOM 760 N GLN A 46 164.655 -3.673 13.939 1.00 0.00 N ATOM 761 CA GLN A 46 164.593 -2.237 14.169 1.00 0.00 C ATOM 762 C GLN A 46 165.057 -1.436 12.953 1.00 0.00 C ATOM 763 O GLN A 46 165.783 -0.451 13.091 1.00 0.00 O ATOM 764 CB GLN A 46 165.443 -1.883 15.387 1.00 0.00 C ATOM 765 CG GLN A 46 164.885 -0.730 16.207 1.00 0.00 C ATOM 766 CD GLN A 46 164.208 -1.195 17.483 1.00 0.00 C ATOM 767 OE1 GLN A 46 164.689 -0.932 18.584 1.00 0.00 O ATOM 768 NE2 GLN A 46 163.087 -1.891 17.338 1.00 0.00 N ATOM 0 H GLN A 46 165.590 -4.072 14.019 1.00 0.00 H new ATOM 0 HA GLN A 46 163.551 -1.971 14.349 1.00 0.00 H new ATOM 0 HB2 GLN A 46 165.531 -2.762 16.025 1.00 0.00 H new ATOM 0 HB3 GLN A 46 166.449 -1.628 15.055 1.00 0.00 H new ATOM 0 HG2 GLN A 46 165.693 -0.043 16.458 1.00 0.00 H new ATOM 0 HG3 GLN A 46 164.169 -0.172 15.603 1.00 0.00 H new ATOM 0 HE21 GLN A 46 162.725 -2.086 16.405 1.00 0.00 H new ATOM 0 HE22 GLN A 46 162.588 -2.231 18.160 1.00 0.00 H new ATOM 777 N GLY A 47 164.623 -1.848 11.764 1.00 0.00 N ATOM 778 CA GLY A 47 164.996 -1.133 10.555 1.00 0.00 C ATOM 779 C GLY A 47 165.880 -1.942 9.622 1.00 0.00 C ATOM 780 O GLY A 47 166.187 -3.102 9.891 1.00 0.00 O ATOM 0 H GLY A 47 164.023 -2.660 11.617 1.00 0.00 H new ATOM 0 HA2 GLY A 47 164.092 -0.839 10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 47 165.516 -0.215 10.831 1.00 0.00 H new ATOM 784 N PHE A 48 166.285 -1.316 8.520 1.00 0.00 N ATOM 785 CA PHE A 48 167.139 -1.962 7.528 1.00 0.00 C ATOM 786 C PHE A 48 168.582 -2.028 8.012 1.00 0.00 C ATOM 787 O PHE A 48 169.010 -1.206 8.821 1.00 0.00 O ATOM 788 CB PHE A 48 167.094 -1.192 6.204 1.00 0.00 C ATOM 789 CG PHE A 48 165.867 -1.435 5.363 1.00 0.00 C ATOM 790 CD1 PHE A 48 165.029 -2.518 5.596 1.00 0.00 C ATOM 791 CD2 PHE A 48 165.560 -0.572 4.324 1.00 0.00 C ATOM 792 CE1 PHE A 48 163.911 -2.728 4.811 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.443 -0.778 3.537 1.00 0.00 C ATOM 794 CZ PHE A 48 163.618 -1.856 3.780 1.00 0.00 C ATOM 0 H PHE A 48 166.033 -0.355 8.291 1.00 0.00 H new ATOM 0 HA PHE A 48 166.765 -2.975 7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 48 167.162 -0.126 6.420 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.975 -1.456 5.618 1.00 0.00 H new ATOM 0 HD1 PHE A 48 165.254 -3.204 6.400 1.00 0.00 H new ATOM 0 HD2 PHE A 48 166.202 0.273 4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 48 163.267 -3.573 5.003 1.00 0.00 H new ATOM 0 HE2 PHE A 48 164.216 -0.095 2.732 1.00 0.00 H new ATOM 0 HZ PHE A 48 162.745 -2.018 3.166 1.00 0.00 H new ATOM 804 N VAL A 49 169.327 -3.007 7.504 1.00 0.00 N ATOM 805 CA VAL A 49 170.728 -3.179 7.872 1.00 0.00 C ATOM 806 C VAL A 49 171.640 -2.850 6.694 1.00 0.00 C ATOM 807 O VAL A 49 172.009 -3.735 5.920 1.00 0.00 O ATOM 808 CB VAL A 49 171.018 -4.623 8.335 1.00 0.00 C ATOM 809 CG1 VAL A 49 172.477 -4.776 8.738 1.00 0.00 C ATOM 810 CG2 VAL A 49 170.103 -5.010 9.484 1.00 0.00 C ATOM 0 H VAL A 49 168.981 -3.695 6.834 1.00 0.00 H new ATOM 0 HA VAL A 49 170.927 -2.494 8.696 1.00 0.00 H new ATOM 0 HB VAL A 49 170.822 -5.295 7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 49 172.660 -5.801 9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 49 173.116 -4.545 7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 49 172.702 -4.092 9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 49 170.323 -6.031 9.796 1.00 0.00 H new ATOM 0 HG22 VAL A 49 170.264 -4.332 10.322 1.00 0.00 H new ATOM 0 HG23 VAL A 49 169.064 -4.945 9.160 1.00 0.00 H new ATOM 820 N ALA A 50 172.003 -1.580 6.561 1.00 0.00 N ATOM 821 CA ALA A 50 172.872 -1.149 5.474 1.00 0.00 C ATOM 822 C ALA A 50 174.339 -1.377 5.823 1.00 0.00 C ATOM 823 O ALA A 50 175.064 -0.436 6.144 1.00 0.00 O ATOM 824 CB ALA A 50 172.627 0.316 5.147 1.00 0.00 C ATOM 0 H ALA A 50 171.710 -0.833 7.191 1.00 0.00 H new ATOM 0 HA ALA A 50 172.636 -1.748 4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.284 0.622 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.588 0.453 4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.833 0.925 6.028 1.00 0.00 H new ATOM 830 N ASP A 51 174.768 -2.634 5.762 1.00 0.00 N ATOM 831 CA ASP A 51 176.148 -2.990 6.075 1.00 0.00 C ATOM 832 C ASP A 51 176.974 -3.153 4.802 1.00 0.00 C ATOM 833 O ASP A 51 177.060 -4.245 4.243 1.00 0.00 O ATOM 834 CB ASP A 51 176.189 -4.281 6.894 1.00 0.00 C ATOM 835 CG ASP A 51 176.284 -4.018 8.383 1.00 0.00 C ATOM 836 OD1 ASP A 51 175.306 -3.490 8.957 1.00 0.00 O ATOM 837 OD2 ASP A 51 177.334 -4.340 8.978 1.00 0.00 O ATOM 0 H ASP A 51 174.179 -3.424 5.498 1.00 0.00 H new ATOM 0 HA ASP A 51 176.581 -2.180 6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.294 -4.867 6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 51 177.043 -4.881 6.579 1.00 0.00 H new ATOM 842 N ALA A 52 177.577 -2.056 4.351 1.00 0.00 N ATOM 843 CA ALA A 52 178.396 -2.077 3.145 1.00 0.00 C ATOM 844 C ALA A 52 179.880 -2.108 3.489 1.00 0.00 C ATOM 845 O ALA A 52 180.411 -1.162 4.070 1.00 0.00 O ATOM 846 CB ALA A 52 178.079 -0.870 2.275 1.00 0.00 C ATOM 0 H ALA A 52 177.513 -1.144 4.802 1.00 0.00 H new ATOM 0 HA ALA A 52 178.161 -2.985 2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.697 -0.896 1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.027 -0.892 1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.286 0.044 2.831 1.00 0.00 H new ATOM 852 N THR A 53 180.547 -3.196 3.124 1.00 0.00 N ATOM 853 CA THR A 53 181.973 -3.340 3.391 1.00 0.00 C ATOM 854 C THR A 53 182.785 -2.924 2.170 1.00 0.00 C ATOM 855 O THR A 53 182.819 -3.632 1.163 1.00 0.00 O ATOM 856 CB THR A 53 182.296 -4.784 3.782 1.00 0.00 C ATOM 857 OG1 THR A 53 183.650 -4.903 4.179 1.00 0.00 O ATOM 858 CG2 THR A 53 182.056 -5.777 2.667 1.00 0.00 C ATOM 0 H THR A 53 180.125 -3.990 2.643 1.00 0.00 H new ATOM 0 HA THR A 53 182.240 -2.688 4.222 1.00 0.00 H new ATOM 0 HB THR A 53 181.619 -5.018 4.604 1.00 0.00 H new ATOM 0 HG1 THR A 53 183.719 -4.778 5.149 1.00 0.00 H new ATOM 0 HG21 THR A 53 182.305 -6.780 3.013 1.00 0.00 H new ATOM 0 HG22 THR A 53 181.007 -5.745 2.371 1.00 0.00 H new ATOM 0 HG23 THR A 53 182.682 -5.522 1.812 1.00 0.00 H new ATOM 866 N ILE A 54 183.421 -1.763 2.260 1.00 0.00 N ATOM 867 CA ILE A 54 184.215 -1.242 1.154 1.00 0.00 C ATOM 868 C ILE A 54 185.705 -1.463 1.383 1.00 0.00 C ATOM 869 O ILE A 54 186.228 -1.178 2.460 1.00 0.00 O ATOM 870 CB ILE A 54 183.957 0.265 0.930 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.580 0.662 1.487 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.059 0.596 -0.552 1.00 0.00 C ATOM 873 CD1 ILE A 54 181.973 1.887 0.828 1.00 0.00 C ATOM 0 H ILE A 54 183.403 -1.165 3.086 1.00 0.00 H new ATOM 0 HA ILE A 54 183.905 -1.792 0.265 1.00 0.00 H new ATOM 0 HB ILE A 54 184.715 0.837 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 54 181.896 -0.178 1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.673 0.847 2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 54 183.876 1.660 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.057 0.346 -0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 54 183.318 0.019 -1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.003 2.099 1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 54 182.634 2.742 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 54 181.845 1.701 -0.238 1.00 0.00 H new ATOM 885 N ASN A 55 186.385 -1.970 0.359 1.00 0.00 N ATOM 886 CA ASN A 55 187.818 -2.233 0.440 1.00 0.00 C ATOM 887 C ASN A 55 188.618 -0.941 0.290 1.00 0.00 C ATOM 888 O ASN A 55 189.274 -0.720 -0.729 1.00 0.00 O ATOM 889 CB ASN A 55 188.236 -3.235 -0.638 1.00 0.00 C ATOM 890 CG ASN A 55 189.577 -3.876 -0.341 1.00 0.00 C ATOM 891 OD1 ASN A 55 190.515 -3.772 -1.130 1.00 0.00 O ATOM 892 ND2 ASN A 55 189.673 -4.545 0.802 1.00 0.00 N ATOM 0 H ASN A 55 185.965 -2.208 -0.540 1.00 0.00 H new ATOM 0 HA ASN A 55 188.029 -2.658 1.421 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.476 -4.012 -0.723 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.284 -2.729 -1.602 1.00 0.00 H new ATOM 0 HD21 ASN A 55 190.551 -4.998 1.055 1.00 0.00 H new ATOM 0 HD22 ASN A 55 188.869 -4.605 1.427 1.00 0.00 H new ATOM 899 N THR A 56 188.557 -0.097 1.316 1.00 0.00 N ATOM 900 CA THR A 56 189.272 1.175 1.313 1.00 0.00 C ATOM 901 C THR A 56 190.759 0.959 1.601 1.00 0.00 C ATOM 902 O THR A 56 191.151 -0.095 2.102 1.00 0.00 O ATOM 903 CB THR A 56 188.666 2.121 2.355 1.00 0.00 C ATOM 904 OG1 THR A 56 189.148 1.815 3.651 1.00 0.00 O ATOM 905 CG2 THR A 56 187.154 2.069 2.403 1.00 0.00 C ATOM 0 H THR A 56 188.017 -0.272 2.163 1.00 0.00 H new ATOM 0 HA THR A 56 189.174 1.624 0.325 1.00 0.00 H new ATOM 0 HB THR A 56 188.969 3.122 2.047 1.00 0.00 H new ATOM 0 HG1 THR A 56 188.749 0.974 3.958 1.00 0.00 H new ATOM 0 HG21 THR A 56 186.790 2.762 3.161 1.00 0.00 H new ATOM 0 HG22 THR A 56 186.749 2.349 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 56 186.832 1.058 2.652 1.00 0.00 H new ATOM 913 N PRO A 57 191.611 1.953 1.288 1.00 0.00 N ATOM 914 CA PRO A 57 193.057 1.850 1.519 1.00 0.00 C ATOM 915 C PRO A 57 193.400 1.749 3.002 1.00 0.00 C ATOM 916 O PRO A 57 194.283 0.987 3.394 1.00 0.00 O ATOM 917 CB PRO A 57 193.615 3.148 0.926 1.00 0.00 C ATOM 918 CG PRO A 57 192.463 4.091 0.907 1.00 0.00 C ATOM 919 CD PRO A 57 191.241 3.247 0.686 1.00 0.00 C ATOM 0 HA PRO A 57 193.475 0.951 1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 57 194.434 3.538 1.531 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.009 2.986 -0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 57 192.393 4.641 1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 57 192.576 4.829 0.113 1.00 0.00 H new ATOM 0 HD2 PRO A 57 190.362 3.678 1.166 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.008 3.146 -0.374 1.00 0.00 H new ATOM 927 N ASN A 58 192.692 2.519 3.821 1.00 0.00 N ATOM 928 CA ASN A 58 192.918 2.511 5.262 1.00 0.00 C ATOM 929 C ASN A 58 192.434 1.204 5.887 1.00 0.00 C ATOM 930 O ASN A 58 192.727 0.913 7.047 1.00 0.00 O ATOM 931 CB ASN A 58 192.205 3.696 5.917 1.00 0.00 C ATOM 932 CG ASN A 58 190.699 3.631 5.746 1.00 0.00 C ATOM 933 OD1 ASN A 58 190.064 2.641 6.107 1.00 0.00 O ATOM 934 ND2 ASN A 58 190.120 4.691 5.192 1.00 0.00 N ATOM 0 H ASN A 58 191.958 3.156 3.512 1.00 0.00 H new ATOM 0 HA ASN A 58 193.991 2.598 5.434 1.00 0.00 H new ATOM 0 HB2 ASN A 58 192.447 3.720 6.980 1.00 0.00 H new ATOM 0 HB3 ASN A 58 192.577 4.625 5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 58 189.110 4.705 5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 58 190.686 5.491 4.907 1.00 0.00 H new ATOM 941 N GLY A 59 191.687 0.418 5.114 1.00 0.00 N ATOM 942 CA GLY A 59 191.173 -0.843 5.611 1.00 0.00 C ATOM 943 C GLY A 59 189.705 -1.025 5.290 1.00 0.00 C ATOM 944 O GLY A 59 188.947 -0.056 5.260 1.00 0.00 O ATOM 0 H GLY A 59 191.430 0.635 4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 59 191.743 -1.663 5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.317 -0.893 6.690 1.00 0.00 H new ATOM 948 N VAL A 60 189.299 -2.268 5.046 1.00 0.00 N ATOM 949 CA VAL A 60 187.906 -2.570 4.720 1.00 0.00 C ATOM 950 C VAL A 60 186.953 -1.894 5.703 1.00 0.00 C ATOM 951 O VAL A 60 186.671 -2.427 6.777 1.00 0.00 O ATOM 952 CB VAL A 60 187.639 -4.088 4.722 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.303 -4.393 4.062 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.765 -4.837 4.025 1.00 0.00 C ATOM 0 H VAL A 60 189.913 -3.082 5.067 1.00 0.00 H new ATOM 0 HA VAL A 60 187.727 -2.182 3.717 1.00 0.00 H new ATOM 0 HB VAL A 60 187.598 -4.426 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.130 -5.469 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.504 -3.892 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.316 -4.037 3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.554 -5.906 4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 60 188.844 -4.496 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.705 -4.646 4.543 1.00 0.00 H new ATOM 964 N LEU A 61 186.469 -0.713 5.331 1.00 0.00 N ATOM 965 CA LEU A 61 185.556 0.044 6.181 1.00 0.00 C ATOM 966 C LEU A 61 184.113 -0.412 5.981 1.00 0.00 C ATOM 967 O LEU A 61 183.631 -0.513 4.854 1.00 0.00 O ATOM 968 CB LEU A 61 185.681 1.542 5.886 1.00 0.00 C ATOM 969 CG LEU A 61 186.054 2.413 7.088 1.00 0.00 C ATOM 970 CD1 LEU A 61 187.247 1.824 7.828 1.00 0.00 C ATOM 971 CD2 LEU A 61 186.353 3.839 6.641 1.00 0.00 C ATOM 0 H LEU A 61 186.694 -0.259 4.446 1.00 0.00 H new ATOM 0 HA LEU A 61 185.829 -0.140 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 61 186.433 1.682 5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.733 1.897 5.480 1.00 0.00 H new ATOM 0 HG LEU A 61 185.205 2.436 7.771 1.00 0.00 H new ATOM 0 HD11 LEU A 61 187.496 2.458 8.679 1.00 0.00 H new ATOM 0 HD12 LEU A 61 186.998 0.823 8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 61 188.102 1.768 7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 61 186.616 4.444 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 61 187.185 3.833 5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 61 185.472 4.261 6.158 1.00 0.00 H new ATOM 983 N VAL A 62 183.434 -0.697 7.089 1.00 0.00 N ATOM 984 CA VAL A 62 182.050 -1.151 7.042 1.00 0.00 C ATOM 985 C VAL A 62 181.077 0.013 7.186 1.00 0.00 C ATOM 986 O VAL A 62 180.861 0.522 8.287 1.00 0.00 O ATOM 987 CB VAL A 62 181.764 -2.181 8.154 1.00 0.00 C ATOM 988 CG1 VAL A 62 180.352 -2.737 8.024 1.00 0.00 C ATOM 989 CG2 VAL A 62 182.793 -3.302 8.119 1.00 0.00 C ATOM 0 H VAL A 62 183.821 -0.621 8.030 1.00 0.00 H new ATOM 0 HA VAL A 62 181.906 -1.619 6.068 1.00 0.00 H new ATOM 0 HB VAL A 62 181.840 -1.677 9.117 1.00 0.00 H new ATOM 0 HG11 VAL A 62 180.172 -3.461 8.818 1.00 0.00 H new ATOM 0 HG12 VAL A 62 179.632 -1.923 8.105 1.00 0.00 H new ATOM 0 HG13 VAL A 62 180.241 -3.225 7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 62 182.576 -4.020 8.910 1.00 0.00 H new ATOM 0 HG22 VAL A 62 182.751 -3.804 7.152 1.00 0.00 H new ATOM 0 HG23 VAL A 62 183.789 -2.886 8.269 1.00 0.00 H new ATOM 999 N ALA A 63 180.484 0.426 6.072 1.00 0.00 N ATOM 1000 CA ALA A 63 179.526 1.522 6.079 1.00 0.00 C ATOM 1001 C ALA A 63 178.174 1.052 6.603 1.00 0.00 C ATOM 1002 O ALA A 63 177.232 0.853 5.835 1.00 0.00 O ATOM 1003 CB ALA A 63 179.380 2.102 4.680 1.00 0.00 C ATOM 0 H ALA A 63 180.651 0.017 5.152 1.00 0.00 H new ATOM 0 HA ALA A 63 179.898 2.301 6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.661 2.921 4.699 1.00 0.00 H new ATOM 0 HB2 ALA A 63 180.345 2.475 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 63 179.029 1.326 3.999 1.00 0.00 H new ATOM 1009 N SER A 64 178.089 0.867 7.916 1.00 0.00 N ATOM 1010 CA SER A 64 176.855 0.412 8.546 1.00 0.00 C ATOM 1011 C SER A 64 175.868 1.561 8.708 1.00 0.00 C ATOM 1012 O SER A 64 176.206 2.618 9.240 1.00 0.00 O ATOM 1013 CB SER A 64 177.155 -0.215 9.908 1.00 0.00 C ATOM 1014 OG SER A 64 178.318 -1.023 9.854 1.00 0.00 O ATOM 0 H SER A 64 178.860 1.025 8.565 1.00 0.00 H new ATOM 0 HA SER A 64 176.403 -0.340 7.899 1.00 0.00 H new ATOM 0 HB2 SER A 64 177.289 0.571 10.652 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.305 -0.817 10.230 1.00 0.00 H new ATOM 0 HG SER A 64 178.488 -1.410 10.738 1.00 0.00 H new ATOM 1020 N GLY A 65 174.641 1.343 8.248 1.00 0.00 N ATOM 1021 CA GLY A 65 173.614 2.361 8.351 1.00 0.00 C ATOM 1022 C GLY A 65 172.229 1.760 8.458 1.00 0.00 C ATOM 1023 O GLY A 65 171.632 1.377 7.452 1.00 0.00 O ATOM 0 H GLY A 65 174.339 0.476 7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.807 2.984 9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 65 173.660 3.012 7.478 1.00 0.00 H new ATOM 1027 N LYS A 66 171.716 1.664 9.679 1.00 0.00 N ATOM 1028 CA LYS A 66 170.398 1.093 9.904 1.00 0.00 C ATOM 1029 C LYS A 66 169.321 2.173 9.905 1.00 0.00 C ATOM 1030 O LYS A 66 169.575 3.317 10.281 1.00 0.00 O ATOM 1031 CB LYS A 66 170.365 0.319 11.224 1.00 0.00 C ATOM 1032 CG LYS A 66 170.527 1.199 12.454 1.00 0.00 C ATOM 1033 CD LYS A 66 169.610 0.754 13.583 1.00 0.00 C ATOM 1034 CE LYS A 66 170.342 0.715 14.915 1.00 0.00 C ATOM 1035 NZ LYS A 66 170.668 2.082 15.412 1.00 0.00 N ATOM 0 H LYS A 66 172.193 1.974 10.525 1.00 0.00 H new ATOM 0 HA LYS A 66 170.191 0.405 9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 66 169.420 -0.219 11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 66 171.158 -0.429 11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 66 171.563 1.167 12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 66 170.308 2.234 12.193 1.00 0.00 H new ATOM 0 HD2 LYS A 66 168.761 1.434 13.653 1.00 0.00 H new ATOM 0 HD3 LYS A 66 169.208 -0.234 13.359 1.00 0.00 H new ATOM 0 HE2 LYS A 66 169.727 0.198 15.652 1.00 0.00 H new ATOM 0 HE3 LYS A 66 171.261 0.139 14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 171.166 2.011 16.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 171.276 2.567 14.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 169.789 2.624 15.540 1.00 0.00 H new ATOM 1049 N HIS A 67 168.118 1.798 9.482 1.00 0.00 N ATOM 1050 CA HIS A 67 167.000 2.735 9.436 1.00 0.00 C ATOM 1051 C HIS A 67 165.732 2.054 8.935 1.00 0.00 C ATOM 1052 O HIS A 67 165.783 1.182 8.068 1.00 0.00 O ATOM 1053 CB HIS A 67 167.339 3.924 8.535 1.00 0.00 C ATOM 1054 CG HIS A 67 167.080 5.254 9.172 1.00 0.00 C ATOM 1055 ND1 HIS A 67 167.805 6.393 9.153 1.00 0.00 N flip ATOM 1056 CD2 HIS A 67 165.964 5.525 9.936 1.00 0.00 C flip ATOM 1057 CE1 HIS A 67 167.123 7.325 9.896 1.00 0.00 C flip ATOM 1058 NE2 HIS A 67 166.014 6.775 10.357 1.00 0.00 N flip ATOM 0 H HIS A 67 167.892 0.855 9.167 1.00 0.00 H new ATOM 0 HA HIS A 67 166.822 3.092 10.450 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.390 3.865 8.251 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.756 3.851 7.617 1.00 0.00 H new ATOM 0 HD1 HIS A 67 168.695 6.535 8.675 1.00 0.00 H new ATOM 0 HD2 HIS A 67 165.173 4.824 10.156 1.00 0.00 H new ATOM 0 HE1 HIS A 67 167.441 8.342 10.074 1.00 0.00 H new ATOM 1067 N GLU A 68 164.595 2.465 9.482 1.00 0.00 N ATOM 1068 CA GLU A 68 163.309 1.903 9.088 1.00 0.00 C ATOM 1069 C GLU A 68 162.998 2.242 7.636 1.00 0.00 C ATOM 1070 O GLU A 68 162.359 1.462 6.928 1.00 0.00 O ATOM 1071 CB GLU A 68 162.196 2.431 9.996 1.00 0.00 C ATOM 1072 CG GLU A 68 162.296 1.941 11.432 1.00 0.00 C ATOM 1073 CD GLU A 68 161.303 0.839 11.741 1.00 0.00 C ATOM 1074 OE1 GLU A 68 160.142 1.159 12.070 1.00 0.00 O ATOM 1075 OE2 GLU A 68 161.688 -0.347 11.654 1.00 0.00 O ATOM 0 H GLU A 68 164.537 3.186 10.201 1.00 0.00 H new ATOM 0 HA GLU A 68 163.365 0.819 9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 68 162.221 3.521 9.991 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.232 2.132 9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 68 163.307 1.578 11.619 1.00 0.00 H new ATOM 0 HG3 GLU A 68 162.128 2.778 12.110 1.00 0.00 H new ATOM 1082 N ASP A 69 163.456 3.408 7.196 1.00 0.00 N ATOM 1083 CA ASP A 69 163.230 3.849 5.827 1.00 0.00 C ATOM 1084 C ASP A 69 164.406 3.465 4.935 1.00 0.00 C ATOM 1085 O ASP A 69 165.558 3.462 5.369 1.00 0.00 O ATOM 1086 CB ASP A 69 163.008 5.363 5.783 1.00 0.00 C ATOM 1087 CG ASP A 69 161.575 5.727 5.445 1.00 0.00 C ATOM 1088 OD1 ASP A 69 160.682 4.875 5.636 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.344 6.869 4.990 1.00 0.00 O ATOM 0 H ASP A 69 163.986 4.065 7.769 1.00 0.00 H new ATOM 0 HA ASP A 69 162.335 3.352 5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.272 5.794 6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.676 5.804 5.044 1.00 0.00 H new ATOM 1094 N MET A 70 164.098 3.130 3.689 1.00 0.00 N ATOM 1095 CA MET A 70 165.114 2.730 2.722 1.00 0.00 C ATOM 1096 C MET A 70 166.160 3.827 2.525 1.00 0.00 C ATOM 1097 O MET A 70 167.337 3.637 2.834 1.00 0.00 O ATOM 1098 CB MET A 70 164.438 2.374 1.387 1.00 0.00 C ATOM 1099 CG MET A 70 165.362 2.403 0.175 1.00 0.00 C ATOM 1100 SD MET A 70 164.516 2.939 -1.324 1.00 0.00 S ATOM 1101 CE MET A 70 163.044 1.924 -1.258 1.00 0.00 C ATOM 0 H MET A 70 163.146 3.127 3.322 1.00 0.00 H new ATOM 0 HA MET A 70 165.635 1.853 3.107 1.00 0.00 H new ATOM 0 HB2 MET A 70 164.003 1.378 1.471 1.00 0.00 H new ATOM 0 HB3 MET A 70 163.615 3.068 1.216 1.00 0.00 H new ATOM 0 HG2 MET A 70 166.198 3.072 0.376 1.00 0.00 H new ATOM 0 HG3 MET A 70 165.780 1.409 0.017 1.00 0.00 H new ATOM 0 HE1 MET A 70 162.619 1.834 -2.258 1.00 0.00 H new ATOM 0 HE2 MET A 70 163.301 0.934 -0.882 1.00 0.00 H new ATOM 0 HE3 MET A 70 162.313 2.385 -0.594 1.00 0.00 H new ATOM 1111 N TYR A 71 165.730 4.965 1.988 1.00 0.00 N ATOM 1112 CA TYR A 71 166.636 6.079 1.728 1.00 0.00 C ATOM 1113 C TYR A 71 167.391 6.505 2.981 1.00 0.00 C ATOM 1114 O TYR A 71 168.617 6.611 2.968 1.00 0.00 O ATOM 1115 CB TYR A 71 165.868 7.262 1.139 1.00 0.00 C ATOM 1116 CG TYR A 71 165.583 7.122 -0.343 1.00 0.00 C ATOM 1117 CD1 TYR A 71 165.778 5.909 -0.998 1.00 0.00 C ATOM 1118 CD2 TYR A 71 165.119 8.199 -1.087 1.00 0.00 C ATOM 1119 CE1 TYR A 71 165.523 5.775 -2.346 1.00 0.00 C ATOM 1120 CE2 TYR A 71 164.860 8.073 -2.438 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.063 6.860 -3.063 1.00 0.00 C ATOM 1122 OH TYR A 71 164.806 6.731 -4.409 1.00 0.00 O ATOM 0 H TYR A 71 164.760 5.140 1.725 1.00 0.00 H new ATOM 0 HA TYR A 71 167.375 5.737 1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.924 7.374 1.673 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.439 8.175 1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.136 5.057 -0.439 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.958 9.150 -0.602 1.00 0.00 H new ATOM 0 HE1 TYR A 71 165.682 4.827 -2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.500 8.920 -3.003 1.00 0.00 H new ATOM 0 HH TYR A 71 164.488 7.587 -4.765 1.00 0.00 H new ATOM 1132 N THR A 72 166.664 6.748 4.067 1.00 0.00 N ATOM 1133 CA THR A 72 167.291 7.157 5.319 1.00 0.00 C ATOM 1134 C THR A 72 168.395 6.180 5.711 1.00 0.00 C ATOM 1135 O THR A 72 169.378 6.560 6.345 1.00 0.00 O ATOM 1136 CB THR A 72 166.248 7.256 6.432 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.604 6.009 6.633 1.00 0.00 O ATOM 1138 CG2 THR A 72 165.182 8.290 6.154 1.00 0.00 C ATOM 0 H THR A 72 165.648 6.670 4.106 1.00 0.00 H new ATOM 0 HA THR A 72 167.737 8.141 5.173 1.00 0.00 H new ATOM 0 HB THR A 72 166.800 7.557 7.323 1.00 0.00 H new ATOM 0 HG1 THR A 72 165.883 5.380 5.935 1.00 0.00 H new ATOM 0 HG21 THR A 72 164.472 8.312 6.981 1.00 0.00 H new ATOM 0 HG22 THR A 72 165.645 9.271 6.048 1.00 0.00 H new ATOM 0 HG23 THR A 72 164.658 8.034 5.233 1.00 0.00 H new ATOM 1146 N ALA A 73 168.232 4.923 5.310 1.00 0.00 N ATOM 1147 CA ALA A 73 169.222 3.896 5.602 1.00 0.00 C ATOM 1148 C ALA A 73 170.468 4.106 4.749 1.00 0.00 C ATOM 1149 O ALA A 73 171.593 3.905 5.207 1.00 0.00 O ATOM 1150 CB ALA A 73 168.636 2.512 5.364 1.00 0.00 C ATOM 0 H ALA A 73 167.424 4.593 4.782 1.00 0.00 H new ATOM 0 HA ALA A 73 169.506 3.972 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.388 1.755 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.772 2.366 6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.328 2.422 4.322 1.00 0.00 H new ATOM 1156 N ILE A 74 170.254 4.534 3.507 1.00 0.00 N ATOM 1157 CA ILE A 74 171.362 4.792 2.590 1.00 0.00 C ATOM 1158 C ILE A 74 172.181 5.975 3.091 1.00 0.00 C ATOM 1159 O ILE A 74 173.397 5.882 3.249 1.00 0.00 O ATOM 1160 CB ILE A 74 170.899 5.088 1.139 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.489 4.544 0.858 1.00 0.00 C ATOM 1162 CG2 ILE A 74 171.895 4.513 0.142 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.421 3.040 0.691 1.00 0.00 C ATOM 0 H ILE A 74 169.329 4.709 3.114 1.00 0.00 H new ATOM 0 HA ILE A 74 171.960 3.881 2.566 1.00 0.00 H new ATOM 0 HB ILE A 74 170.857 6.171 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 74 168.830 4.837 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.104 5.016 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.559 4.727 -0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 74 172.874 4.965 0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 74 171.967 3.434 0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.391 2.742 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 74 170.051 2.738 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.772 2.556 1.602 1.00 0.00 H new ATOM 1175 N ASN A 75 171.498 7.087 3.353 1.00 0.00 N ATOM 1176 CA ASN A 75 172.159 8.286 3.853 1.00 0.00 C ATOM 1177 C ASN A 75 172.889 7.979 5.154 1.00 0.00 C ATOM 1178 O ASN A 75 174.007 8.438 5.379 1.00 0.00 O ATOM 1179 CB ASN A 75 171.139 9.403 4.077 1.00 0.00 C ATOM 1180 CG ASN A 75 170.310 9.691 2.841 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.750 10.398 1.934 1.00 0.00 O ATOM 1182 ND2 ASN A 75 169.102 9.143 2.797 1.00 0.00 N ATOM 0 H ASN A 75 170.490 7.181 3.227 1.00 0.00 H new ATOM 0 HA ASN A 75 172.884 8.618 3.110 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.477 9.127 4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.660 10.311 4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.499 9.301 1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 75 168.776 8.563 3.571 1.00 0.00 H new ATOM 1189 N GLU A 76 172.248 7.188 6.005 1.00 0.00 N ATOM 1190 CA GLU A 76 172.835 6.807 7.283 1.00 0.00 C ATOM 1191 C GLU A 76 174.169 6.089 7.073 1.00 0.00 C ATOM 1192 O GLU A 76 175.092 6.223 7.878 1.00 0.00 O ATOM 1193 CB GLU A 76 171.876 5.905 8.059 1.00 0.00 C ATOM 1194 CG GLU A 76 172.327 5.617 9.481 1.00 0.00 C ATOM 1195 CD GLU A 76 171.524 6.379 10.516 1.00 0.00 C ATOM 1196 OE1 GLU A 76 170.293 6.501 10.340 1.00 0.00 O ATOM 1197 OE2 GLU A 76 172.124 6.855 11.502 1.00 0.00 O ATOM 0 H GLU A 76 171.321 6.798 5.833 1.00 0.00 H new ATOM 0 HA GLU A 76 173.015 7.715 7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 76 170.892 6.374 8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 76 171.765 4.962 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 76 172.241 4.548 9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 76 173.381 5.875 9.583 1.00 0.00 H new ATOM 1204 N LEU A 77 174.254 5.317 5.993 1.00 0.00 N ATOM 1205 CA LEU A 77 175.464 4.563 5.684 1.00 0.00 C ATOM 1206 C LEU A 77 176.604 5.466 5.203 1.00 0.00 C ATOM 1207 O LEU A 77 177.770 5.202 5.492 1.00 0.00 O ATOM 1208 CB LEU A 77 175.161 3.477 4.638 1.00 0.00 C ATOM 1209 CG LEU A 77 175.445 3.856 3.180 1.00 0.00 C ATOM 1210 CD1 LEU A 77 176.872 3.487 2.802 1.00 0.00 C ATOM 1211 CD2 LEU A 77 174.453 3.176 2.247 1.00 0.00 C ATOM 0 H LEU A 77 173.499 5.198 5.318 1.00 0.00 H new ATOM 0 HA LEU A 77 175.797 4.090 6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 77 175.745 2.590 4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.110 3.200 4.723 1.00 0.00 H new ATOM 0 HG LEU A 77 175.329 4.935 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 77 177.056 3.763 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 77 177.569 4.020 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 77 177.014 2.413 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 77 174.671 3.457 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 77 174.536 2.094 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 77 173.440 3.489 2.502 1.00 0.00 H new ATOM 1223 N ILE A 78 176.269 6.515 4.458 1.00 0.00 N ATOM 1224 CA ILE A 78 177.289 7.424 3.934 1.00 0.00 C ATOM 1225 C ILE A 78 177.987 8.205 5.047 1.00 0.00 C ATOM 1226 O ILE A 78 179.209 8.351 5.036 1.00 0.00 O ATOM 1227 CB ILE A 78 176.708 8.406 2.885 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.771 8.752 1.842 1.00 0.00 C ATOM 1229 CG2 ILE A 78 176.179 9.676 3.541 1.00 0.00 C ATOM 1230 CD1 ILE A 78 179.067 9.255 2.439 1.00 0.00 C ATOM 0 H ILE A 78 175.311 6.757 4.204 1.00 0.00 H new ATOM 0 HA ILE A 78 178.029 6.794 3.441 1.00 0.00 H new ATOM 0 HB ILE A 78 175.870 7.912 2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 78 177.978 7.867 1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 78 177.373 9.511 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.779 10.341 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 78 175.389 9.419 4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 78 176.990 10.177 4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 78 179.773 9.480 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 78 178.874 10.158 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 78 179.489 8.490 3.090 1.00 0.00 H new ATOM 1242 N ASN A 79 177.212 8.714 6.002 1.00 0.00 N ATOM 1243 CA ASN A 79 177.781 9.483 7.103 1.00 0.00 C ATOM 1244 C ASN A 79 178.596 8.592 8.032 1.00 0.00 C ATOM 1245 O ASN A 79 179.664 8.987 8.504 1.00 0.00 O ATOM 1246 CB ASN A 79 176.681 10.199 7.889 1.00 0.00 C ATOM 1247 CG ASN A 79 175.725 9.239 8.564 1.00 0.00 C ATOM 1248 OD1 ASN A 79 174.602 9.043 8.106 1.00 0.00 O ATOM 1249 ND2 ASN A 79 176.165 8.638 9.664 1.00 0.00 N ATOM 0 H ASN A 79 176.198 8.609 6.035 1.00 0.00 H new ATOM 0 HA ASN A 79 178.448 10.231 6.675 1.00 0.00 H new ATOM 0 HB2 ASN A 79 177.138 10.840 8.643 1.00 0.00 H new ATOM 0 HB3 ASN A 79 176.122 10.848 7.215 1.00 0.00 H new ATOM 0 HD21 ASN A 79 175.562 7.984 10.164 1.00 0.00 H new ATOM 0 HD22 ASN A 79 177.105 8.831 10.009 1.00 0.00 H new ATOM 1256 N LYS A 80 178.096 7.387 8.293 1.00 0.00 N ATOM 1257 CA LYS A 80 178.794 6.450 9.166 1.00 0.00 C ATOM 1258 C LYS A 80 180.189 6.143 8.629 1.00 0.00 C ATOM 1259 O LYS A 80 181.189 6.339 9.320 1.00 0.00 O ATOM 1260 CB LYS A 80 177.992 5.154 9.310 1.00 0.00 C ATOM 1261 CG LYS A 80 178.225 4.442 10.633 1.00 0.00 C ATOM 1262 CD LYS A 80 177.890 5.339 11.814 1.00 0.00 C ATOM 1263 CE LYS A 80 177.289 4.548 12.966 1.00 0.00 C ATOM 1264 NZ LYS A 80 175.904 4.992 13.281 1.00 0.00 N ATOM 0 H LYS A 80 177.215 7.039 7.915 1.00 0.00 H new ATOM 0 HA LYS A 80 178.895 6.914 10.147 1.00 0.00 H new ATOM 0 HB2 LYS A 80 176.930 5.380 9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 80 178.253 4.481 8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 80 177.614 3.540 10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 80 179.266 4.125 10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 80 178.793 5.847 12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 80 177.189 6.111 11.498 1.00 0.00 H new ATOM 0 HE2 LYS A 80 177.282 3.488 12.714 1.00 0.00 H new ATOM 0 HE3 LYS A 80 177.916 4.661 13.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 175.530 4.429 14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 175.914 5.997 13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 175.299 4.861 12.445 1.00 0.00 H new ATOM 1278 N LEU A 81 180.249 5.666 7.389 1.00 0.00 N ATOM 1279 CA LEU A 81 181.521 5.337 6.755 1.00 0.00 C ATOM 1280 C LEU A 81 182.445 6.550 6.736 1.00 0.00 C ATOM 1281 O LEU A 81 183.630 6.448 7.056 1.00 0.00 O ATOM 1282 CB LEU A 81 181.290 4.844 5.325 1.00 0.00 C ATOM 1283 CG LEU A 81 182.275 3.780 4.832 1.00 0.00 C ATOM 1284 CD1 LEU A 81 182.190 3.639 3.322 1.00 0.00 C ATOM 1285 CD2 LEU A 81 183.697 4.122 5.253 1.00 0.00 C ATOM 0 H LEU A 81 179.431 5.499 6.803 1.00 0.00 H new ATOM 0 HA LEU A 81 181.994 4.545 7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.280 4.440 5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 81 181.338 5.699 4.651 1.00 0.00 H new ATOM 0 HG LEU A 81 182.004 2.828 5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 81 182.896 2.879 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 81 181.179 3.344 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 81 182.434 4.592 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 81 184.379 3.352 4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 81 183.980 5.085 4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 81 183.752 4.174 6.340 1.00 0.00 H new ATOM 1297 N GLU A 82 181.893 7.701 6.356 1.00 0.00 N ATOM 1298 CA GLU A 82 182.659 8.943 6.291 1.00 0.00 C ATOM 1299 C GLU A 82 183.494 9.137 7.556 1.00 0.00 C ATOM 1300 O GLU A 82 184.723 9.126 7.509 1.00 0.00 O ATOM 1301 CB GLU A 82 181.710 10.133 6.076 1.00 0.00 C ATOM 1302 CG GLU A 82 182.153 11.423 6.756 1.00 0.00 C ATOM 1303 CD GLU A 82 181.427 12.642 6.221 1.00 0.00 C ATOM 1304 OE1 GLU A 82 180.226 12.524 5.899 1.00 0.00 O ATOM 1305 OE2 GLU A 82 182.061 13.714 6.124 1.00 0.00 O ATOM 0 H GLU A 82 180.914 7.799 6.088 1.00 0.00 H new ATOM 0 HA GLU A 82 183.346 8.884 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 82 181.613 10.316 5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 82 180.720 9.864 6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 82 181.979 11.342 7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 82 183.226 11.553 6.616 1.00 0.00 H new ATOM 1312 N ARG A 83 182.815 9.313 8.686 1.00 0.00 N ATOM 1313 CA ARG A 83 183.491 9.508 9.966 1.00 0.00 C ATOM 1314 C ARG A 83 184.581 8.458 10.173 1.00 0.00 C ATOM 1315 O ARG A 83 185.671 8.768 10.656 1.00 0.00 O ATOM 1316 CB ARG A 83 182.477 9.448 11.110 1.00 0.00 C ATOM 1317 CG ARG A 83 182.395 10.735 11.916 1.00 0.00 C ATOM 1318 CD ARG A 83 181.556 11.784 11.205 1.00 0.00 C ATOM 1319 NE ARG A 83 181.271 12.931 12.065 1.00 0.00 N ATOM 1320 CZ ARG A 83 180.326 12.938 13.003 1.00 0.00 C ATOM 1321 NH1 ARG A 83 179.577 11.863 13.208 1.00 0.00 N ATOM 1322 NH2 ARG A 83 180.133 14.023 13.740 1.00 0.00 N ATOM 0 H ARG A 83 181.797 9.325 8.742 1.00 0.00 H new ATOM 0 HA ARG A 83 183.962 10.491 9.958 1.00 0.00 H new ATOM 0 HB2 ARG A 83 181.492 9.222 10.701 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.742 8.627 11.777 1.00 0.00 H new ATOM 0 HG2 ARG A 83 181.965 10.526 12.895 1.00 0.00 H new ATOM 0 HG3 ARG A 83 183.399 11.124 12.086 1.00 0.00 H new ATOM 0 HD2 ARG A 83 182.080 12.122 10.311 1.00 0.00 H new ATOM 0 HD3 ARG A 83 180.619 11.336 10.875 1.00 0.00 H new ATOM 0 HE ARG A 83 181.829 13.776 11.939 1.00 0.00 H new ATOM 0 HH11 ARG A 83 179.723 11.025 12.646 1.00 0.00 H new ATOM 0 HH12 ARG A 83 178.855 11.874 13.928 1.00 0.00 H new ATOM 0 HH21 ARG A 83 180.708 14.852 13.588 1.00 0.00 H new ATOM 0 HH22 ARG A 83 179.409 14.029 14.459 1.00 0.00 H new ATOM 1336 N GLN A 84 184.280 7.218 9.803 1.00 0.00 N ATOM 1337 CA GLN A 84 185.235 6.127 9.945 1.00 0.00 C ATOM 1338 C GLN A 84 186.434 6.329 9.025 1.00 0.00 C ATOM 1339 O GLN A 84 187.542 5.887 9.327 1.00 0.00 O ATOM 1340 CB GLN A 84 184.560 4.788 9.638 1.00 0.00 C ATOM 1341 CG GLN A 84 183.812 4.199 10.822 1.00 0.00 C ATOM 1342 CD GLN A 84 182.894 3.060 10.422 1.00 0.00 C ATOM 1343 OE1 GLN A 84 183.194 1.890 10.668 1.00 0.00 O ATOM 1344 NE2 GLN A 84 181.769 3.395 9.802 1.00 0.00 N ATOM 0 H GLN A 84 183.383 6.944 9.403 1.00 0.00 H new ATOM 0 HA GLN A 84 185.590 6.120 10.976 1.00 0.00 H new ATOM 0 HB2 GLN A 84 183.864 4.923 8.810 1.00 0.00 H new ATOM 0 HB3 GLN A 84 185.316 4.077 9.306 1.00 0.00 H new ATOM 0 HG2 GLN A 84 184.530 3.840 11.559 1.00 0.00 H new ATOM 0 HG3 GLN A 84 183.226 4.982 11.303 1.00 0.00 H new ATOM 0 HE21 GLN A 84 181.561 4.376 9.619 1.00 0.00 H new ATOM 0 HE22 GLN A 84 181.113 2.671 9.509 1.00 0.00 H new ATOM 1353 N LEU A 85 186.206 7.002 7.900 1.00 0.00 N ATOM 1354 CA LEU A 85 187.269 7.262 6.936 1.00 0.00 C ATOM 1355 C LEU A 85 188.278 8.261 7.494 1.00 0.00 C ATOM 1356 O LEU A 85 189.440 7.924 7.720 1.00 0.00 O ATOM 1357 CB LEU A 85 186.679 7.788 5.624 1.00 0.00 C ATOM 1358 CG LEU A 85 186.755 6.814 4.445 1.00 0.00 C ATOM 1359 CD1 LEU A 85 185.454 6.826 3.656 1.00 0.00 C ATOM 1360 CD2 LEU A 85 187.930 7.160 3.542 1.00 0.00 C ATOM 0 H LEU A 85 185.295 7.376 7.635 1.00 0.00 H new ATOM 0 HA LEU A 85 187.787 6.323 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.635 8.051 5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 85 187.199 8.706 5.351 1.00 0.00 H new ATOM 0 HG LEU A 85 186.908 5.809 4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 85 185.528 6.128 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 85 184.631 6.529 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 85 185.270 7.830 3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 85 187.968 6.457 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 85 187.807 8.172 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.857 7.098 4.112 1.00 0.00 H new ATOM 1372 N ASN A 86 187.828 9.495 7.713 1.00 0.00 N ATOM 1373 CA ASN A 86 188.696 10.548 8.244 1.00 0.00 C ATOM 1374 C ASN A 86 189.498 10.049 9.443 1.00 0.00 C ATOM 1375 O ASN A 86 190.687 10.345 9.574 1.00 0.00 O ATOM 1376 CB ASN A 86 187.883 11.787 8.646 1.00 0.00 C ATOM 1377 CG ASN A 86 186.466 11.456 9.066 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.198 11.179 10.235 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.550 11.485 8.107 1.00 0.00 N ATOM 0 H ASN A 86 186.869 9.792 7.532 1.00 0.00 H new ATOM 0 HA ASN A 86 189.389 10.825 7.449 1.00 0.00 H new ATOM 0 HB2 ASN A 86 188.389 12.296 9.466 1.00 0.00 H new ATOM 0 HB3 ASN A 86 187.854 12.483 7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.577 11.272 8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.819 11.720 7.152 1.00 0.00 H new ATOM 1386 N LYS A 87 188.841 9.288 10.312 1.00 0.00 N ATOM 1387 CA LYS A 87 189.493 8.746 11.498 1.00 0.00 C ATOM 1388 C LYS A 87 190.599 7.767 11.105 1.00 0.00 C ATOM 1389 O LYS A 87 191.730 7.870 11.583 1.00 0.00 O ATOM 1390 CB LYS A 87 188.451 8.062 12.400 1.00 0.00 C ATOM 1391 CG LYS A 87 188.950 6.809 13.110 1.00 0.00 C ATOM 1392 CD LYS A 87 190.180 7.095 13.957 1.00 0.00 C ATOM 1393 CE LYS A 87 191.156 5.928 13.933 1.00 0.00 C ATOM 1394 NZ LYS A 87 190.466 4.622 14.116 1.00 0.00 N ATOM 0 H LYS A 87 187.858 9.033 10.217 1.00 0.00 H new ATOM 0 HA LYS A 87 189.953 9.564 12.053 1.00 0.00 H new ATOM 0 HB2 LYS A 87 188.113 8.778 13.149 1.00 0.00 H new ATOM 0 HB3 LYS A 87 187.583 7.800 11.795 1.00 0.00 H new ATOM 0 HG2 LYS A 87 188.157 6.409 13.743 1.00 0.00 H new ATOM 0 HG3 LYS A 87 189.186 6.042 12.372 1.00 0.00 H new ATOM 0 HD2 LYS A 87 190.676 7.993 13.589 1.00 0.00 H new ATOM 0 HD3 LYS A 87 189.877 7.296 14.984 1.00 0.00 H new ATOM 0 HE2 LYS A 87 191.694 5.924 12.985 1.00 0.00 H new ATOM 0 HE3 LYS A 87 191.898 6.060 14.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 191.146 3.915 14.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 189.697 4.730 14.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 190.072 4.307 13.206 1.00 0.00 H new ATOM 1408 N LEU A 88 190.265 6.818 10.239 1.00 0.00 N ATOM 1409 CA LEU A 88 191.228 5.820 9.785 1.00 0.00 C ATOM 1410 C LEU A 88 192.462 6.478 9.169 1.00 0.00 C ATOM 1411 O LEU A 88 193.527 5.865 9.087 1.00 0.00 O ATOM 1412 CB LEU A 88 190.577 4.875 8.772 1.00 0.00 C ATOM 1413 CG LEU A 88 190.563 3.400 9.178 1.00 0.00 C ATOM 1414 CD1 LEU A 88 191.965 2.928 9.541 1.00 0.00 C ATOM 1415 CD2 LEU A 88 189.604 3.178 10.338 1.00 0.00 C ATOM 0 H LEU A 88 189.333 6.718 9.836 1.00 0.00 H new ATOM 0 HA LEU A 88 191.548 5.246 10.655 1.00 0.00 H new ATOM 0 HB2 LEU A 88 189.550 5.199 8.603 1.00 0.00 H new ATOM 0 HB3 LEU A 88 191.101 4.969 7.821 1.00 0.00 H new ATOM 0 HG LEU A 88 190.217 2.812 8.328 1.00 0.00 H new ATOM 0 HD11 LEU A 88 191.932 1.877 9.827 1.00 0.00 H new ATOM 0 HD12 LEU A 88 192.624 3.050 8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 88 192.343 3.519 10.375 1.00 0.00 H new ATOM 0 HD21 LEU A 88 189.606 2.124 10.615 1.00 0.00 H new ATOM 0 HD22 LEU A 88 189.920 3.778 11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 88 188.598 3.473 10.040 1.00 0.00 H new ATOM 1427 N GLN A 89 192.312 7.725 8.733 1.00 0.00 N ATOM 1428 CA GLN A 89 193.417 8.456 8.121 1.00 0.00 C ATOM 1429 C GLN A 89 194.380 8.979 9.181 1.00 0.00 C ATOM 1430 O GLN A 89 195.539 8.567 9.238 1.00 0.00 O ATOM 1431 CB GLN A 89 192.883 9.618 7.281 1.00 0.00 C ATOM 1432 CG GLN A 89 192.428 9.206 5.890 1.00 0.00 C ATOM 1433 CD GLN A 89 193.511 9.389 4.844 1.00 0.00 C ATOM 1434 OE1 GLN A 89 194.537 10.017 5.102 1.00 0.00 O ATOM 1435 NE2 GLN A 89 193.286 8.840 3.656 1.00 0.00 N ATOM 0 H GLN A 89 191.439 8.249 8.792 1.00 0.00 H new ATOM 0 HA GLN A 89 193.960 7.767 7.474 1.00 0.00 H new ATOM 0 HB2 GLN A 89 192.047 10.080 7.806 1.00 0.00 H new ATOM 0 HB3 GLN A 89 193.660 10.377 7.190 1.00 0.00 H new ATOM 0 HG2 GLN A 89 192.118 8.161 5.908 1.00 0.00 H new ATOM 0 HG3 GLN A 89 191.554 9.793 5.609 1.00 0.00 H new ATOM 0 HE21 GLN A 89 192.420 8.328 3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 89 193.979 8.931 2.913 1.00 0.00 H new ATOM 1444 N HIS A 90 193.896 9.893 10.016 1.00 0.00 N ATOM 1445 CA HIS A 90 194.718 10.475 11.072 1.00 0.00 C ATOM 1446 C HIS A 90 195.109 9.422 12.106 1.00 0.00 C ATOM 1447 O HIS A 90 194.479 9.307 13.156 1.00 0.00 O ATOM 1448 CB HIS A 90 193.971 11.623 11.753 1.00 0.00 C ATOM 1449 CG HIS A 90 194.056 12.917 11.007 1.00 0.00 C ATOM 1450 ND1 HIS A 90 195.228 13.397 10.460 1.00 0.00 N ATOM 1451 CD2 HIS A 90 193.104 13.838 10.716 1.00 0.00 C ATOM 1452 CE1 HIS A 90 194.995 14.555 9.867 1.00 0.00 C ATOM 1453 NE2 HIS A 90 193.715 14.844 10.007 1.00 0.00 N ATOM 0 H HIS A 90 192.940 10.247 9.982 1.00 0.00 H new ATOM 0 HA HIS A 90 195.629 10.862 10.615 1.00 0.00 H new ATOM 0 HB2 HIS A 90 192.923 11.347 11.867 1.00 0.00 H new ATOM 0 HB3 HIS A 90 194.374 11.764 12.756 1.00 0.00 H new ATOM 0 HD2 HIS A 90 192.061 13.790 10.990 1.00 0.00 H new ATOM 0 HE1 HIS A 90 195.727 15.161 9.355 1.00 0.00 H new ATOM 0 HE2 HIS A 90 193.254 15.679 9.647 1.00 0.00 H new ATOM 1462 N LYS A 91 196.155 8.659 11.800 1.00 0.00 N ATOM 1463 CA LYS A 91 196.633 7.619 12.706 1.00 0.00 C ATOM 1464 C LYS A 91 197.844 6.898 12.120 1.00 0.00 C ATOM 1465 O LYS A 91 198.840 6.678 12.811 1.00 0.00 O ATOM 1466 CB LYS A 91 195.519 6.609 12.994 1.00 0.00 C ATOM 1467 CG LYS A 91 195.561 6.043 14.406 1.00 0.00 C ATOM 1468 CD LYS A 91 194.379 6.517 15.239 1.00 0.00 C ATOM 1469 CE LYS A 91 194.803 7.536 16.284 1.00 0.00 C ATOM 1470 NZ LYS A 91 194.105 7.327 17.585 1.00 0.00 N ATOM 0 H LYS A 91 196.687 8.741 10.933 1.00 0.00 H new ATOM 0 HA LYS A 91 196.932 8.098 13.638 1.00 0.00 H new ATOM 0 HB2 LYS A 91 194.554 7.089 12.832 1.00 0.00 H new ATOM 0 HB3 LYS A 91 195.590 5.788 12.280 1.00 0.00 H new ATOM 0 HG2 LYS A 91 195.561 4.954 14.361 1.00 0.00 H new ATOM 0 HG3 LYS A 91 196.491 6.342 14.890 1.00 0.00 H new ATOM 0 HD2 LYS A 91 193.626 6.957 14.585 1.00 0.00 H new ATOM 0 HD3 LYS A 91 193.914 5.663 15.731 1.00 0.00 H new ATOM 0 HE2 LYS A 91 195.880 7.472 16.436 1.00 0.00 H new ATOM 0 HE3 LYS A 91 194.592 8.540 15.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 194.423 8.043 18.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 193.078 7.414 17.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 194.326 6.378 17.949 1.00 0.00 H new ATOM 1484 N GLY A 92 197.751 6.532 10.846 1.00 0.00 N ATOM 1485 CA GLY A 92 198.846 5.838 10.190 1.00 0.00 C ATOM 1486 C GLY A 92 200.140 6.626 10.223 1.00 0.00 C ATOM 1487 O GLY A 92 200.878 6.580 11.206 1.00 0.00 O ATOM 0 H GLY A 92 196.937 6.703 10.255 1.00 0.00 H new ATOM 0 HA2 GLY A 92 199.000 4.873 10.673 1.00 0.00 H new ATOM 0 HA3 GLY A 92 198.574 5.636 9.154 1.00 0.00 H new ATOM 1491 N GLU A 93 200.413 7.351 9.143 1.00 0.00 N ATOM 1492 CA GLU A 93 201.627 8.155 9.045 1.00 0.00 C ATOM 1493 C GLU A 93 202.866 7.267 8.981 1.00 0.00 C ATOM 1494 O GLU A 93 203.010 6.327 9.762 1.00 0.00 O ATOM 1495 CB GLU A 93 201.733 9.114 10.233 1.00 0.00 C ATOM 1496 CG GLU A 93 200.460 9.905 10.493 1.00 0.00 C ATOM 1497 CD GLU A 93 200.195 10.948 9.424 1.00 0.00 C ATOM 1498 OE1 GLU A 93 200.752 12.062 9.531 1.00 0.00 O ATOM 1499 OE2 GLU A 93 199.432 10.652 8.481 1.00 0.00 O ATOM 0 H GLU A 93 199.809 7.399 8.322 1.00 0.00 H new ATOM 0 HA GLU A 93 201.570 8.736 8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 93 201.986 8.545 11.127 1.00 0.00 H new ATOM 0 HB3 GLU A 93 202.553 9.810 10.056 1.00 0.00 H new ATOM 0 HG2 GLU A 93 199.614 9.219 10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 93 200.533 10.395 11.464 1.00 0.00 H new ATOM 1506 N ALA A 94 203.758 7.576 8.044 1.00 0.00 N ATOM 1507 CA ALA A 94 204.991 6.814 7.868 1.00 0.00 C ATOM 1508 C ALA A 94 204.714 5.441 7.262 1.00 0.00 C ATOM 1509 O ALA A 94 205.028 5.197 6.099 1.00 0.00 O ATOM 1510 CB ALA A 94 205.726 6.672 9.197 1.00 0.00 C ATOM 0 H ALA A 94 203.649 8.353 7.392 1.00 0.00 H new ATOM 0 HA ALA A 94 205.626 7.364 7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 94 206.642 6.101 9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 94 205.973 7.661 9.583 1.00 0.00 H new ATOM 0 HB3 ALA A 94 205.088 6.152 9.912 1.00 0.00 H new ATOM 1516 N ARG A 95 204.127 4.553 8.069 1.00 0.00 N ATOM 1517 CA ARG A 95 203.795 3.188 7.642 1.00 0.00 C ATOM 1518 C ARG A 95 204.828 2.622 6.665 1.00 0.00 C ATOM 1519 O ARG A 95 204.777 2.880 5.463 1.00 0.00 O ATOM 1520 CB ARG A 95 202.390 3.143 7.024 1.00 0.00 C ATOM 1521 CG ARG A 95 202.274 3.843 5.677 1.00 0.00 C ATOM 1522 CD ARG A 95 202.043 2.846 4.551 1.00 0.00 C ATOM 1523 NE ARG A 95 201.941 3.505 3.250 1.00 0.00 N ATOM 1524 CZ ARG A 95 200.944 3.308 2.386 1.00 0.00 C ATOM 1525 NH1 ARG A 95 199.955 2.469 2.671 1.00 0.00 N ATOM 1526 NH2 ARG A 95 200.939 3.955 1.227 1.00 0.00 N ATOM 0 H ARG A 95 203.869 4.758 9.034 1.00 0.00 H new ATOM 0 HA ARG A 95 203.811 2.559 8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 95 202.091 2.101 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 95 201.685 3.600 7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 95 201.452 4.558 5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 95 203.183 4.411 5.481 1.00 0.00 H new ATOM 0 HD2 ARG A 95 202.861 2.126 4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 95 201.130 2.284 4.746 1.00 0.00 H new ATOM 0 HE ARG A 95 202.680 4.157 2.986 1.00 0.00 H new ATOM 0 HH11 ARG A 95 199.952 1.967 3.559 1.00 0.00 H new ATOM 0 HH12 ARG A 95 199.198 2.327 2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 95 201.696 4.600 1.000 1.00 0.00 H new ATOM 0 HH22 ARG A 95 200.178 3.807 0.564 1.00 0.00 H new ATOM 1540 N ARG A 96 205.766 1.840 7.196 1.00 0.00 N ATOM 1541 CA ARG A 96 206.813 1.233 6.378 1.00 0.00 C ATOM 1542 C ARG A 96 206.221 0.506 5.174 1.00 0.00 C ATOM 1543 O ARG A 96 205.132 -0.061 5.252 1.00 0.00 O ATOM 1544 CB ARG A 96 207.642 0.260 7.218 1.00 0.00 C ATOM 1545 CG ARG A 96 206.805 -0.772 7.957 1.00 0.00 C ATOM 1546 CD ARG A 96 207.508 -1.266 9.211 1.00 0.00 C ATOM 1547 NE ARG A 96 208.038 -2.618 9.044 1.00 0.00 N ATOM 1548 CZ ARG A 96 209.012 -3.131 9.792 1.00 0.00 C ATOM 1549 NH1 ARG A 96 209.567 -2.411 10.761 1.00 0.00 N ATOM 1550 NH2 ARG A 96 209.434 -4.370 9.572 1.00 0.00 N ATOM 0 H ARG A 96 205.822 1.612 8.189 1.00 0.00 H new ATOM 0 HA ARG A 96 207.458 2.032 6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 96 208.350 -0.256 6.569 1.00 0.00 H new ATOM 0 HB3 ARG A 96 208.228 0.826 7.942 1.00 0.00 H new ATOM 0 HG2 ARG A 96 205.843 -0.336 8.226 1.00 0.00 H new ATOM 0 HG3 ARG A 96 206.600 -1.615 7.298 1.00 0.00 H new ATOM 0 HD2 ARG A 96 208.322 -0.586 9.462 1.00 0.00 H new ATOM 0 HD3 ARG A 96 206.810 -1.251 10.048 1.00 0.00 H new ATOM 0 HE ARG A 96 207.638 -3.203 8.311 1.00 0.00 H new ATOM 0 HH11 ARG A 96 209.247 -1.458 10.936 1.00 0.00 H new ATOM 0 HH12 ARG A 96 210.313 -2.811 11.330 1.00 0.00 H new ATOM 0 HH21 ARG A 96 209.012 -4.928 8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 96 210.180 -4.764 10.145 1.00 0.00 H new ATOM 1564 N ALA A 97 206.949 0.531 4.061 1.00 0.00 N ATOM 1565 CA ALA A 97 206.498 -0.124 2.840 1.00 0.00 C ATOM 1566 C ALA A 97 207.162 -1.486 2.670 1.00 0.00 C ATOM 1567 O ALA A 97 208.389 -1.592 2.647 1.00 0.00 O ATOM 1568 CB ALA A 97 206.783 0.759 1.634 1.00 0.00 C ATOM 0 H ALA A 97 207.852 0.998 3.981 1.00 0.00 H new ATOM 0 HA ALA A 97 205.422 -0.282 2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 97 206.442 0.259 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 97 206.257 1.707 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 97 207.855 0.944 1.564 1.00 0.00 H new ATOM 1574 N ALA A 98 206.344 -2.526 2.548 1.00 0.00 N ATOM 1575 CA ALA A 98 206.853 -3.882 2.379 1.00 0.00 C ATOM 1576 C ALA A 98 206.549 -4.410 0.981 1.00 0.00 C ATOM 1577 O ALA A 98 205.451 -4.219 0.460 1.00 0.00 O ATOM 1578 CB ALA A 98 206.259 -4.803 3.434 1.00 0.00 C ATOM 0 H ALA A 98 205.327 -2.456 2.563 1.00 0.00 H new ATOM 0 HA ALA A 98 207.936 -3.857 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 98 206.647 -5.812 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 98 206.530 -4.442 4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 98 205.173 -4.816 3.336 1.00 0.00 H new ATOM 1584 N THR A 99 207.529 -5.076 0.380 1.00 0.00 N ATOM 1585 CA THR A 99 207.365 -5.633 -0.958 1.00 0.00 C ATOM 1586 C THR A 99 206.312 -6.735 -0.963 1.00 0.00 C ATOM 1587 O THR A 99 206.505 -7.796 -0.367 1.00 0.00 O ATOM 1588 CB THR A 99 208.697 -6.181 -1.474 1.00 0.00 C ATOM 1589 OG1 THR A 99 209.784 -5.605 -0.770 1.00 0.00 O ATOM 1590 CG2 THR A 99 208.919 -5.925 -2.947 1.00 0.00 C ATOM 0 H THR A 99 208.444 -5.243 0.798 1.00 0.00 H new ATOM 0 HA THR A 99 207.031 -4.833 -1.618 1.00 0.00 H new ATOM 0 HB THR A 99 208.647 -7.258 -1.312 1.00 0.00 H new ATOM 0 HG1 THR A 99 210.626 -5.970 -1.114 1.00 0.00 H new ATOM 0 HG21 THR A 99 209.882 -6.339 -3.247 1.00 0.00 H new ATOM 0 HG22 THR A 99 208.124 -6.400 -3.523 1.00 0.00 H new ATOM 0 HG23 THR A 99 208.912 -4.851 -3.135 1.00 0.00 H new ATOM 1598 N SER A 100 205.195 -6.477 -1.636 1.00 0.00 N ATOM 1599 CA SER A 100 204.109 -7.447 -1.716 1.00 0.00 C ATOM 1600 C SER A 100 204.204 -8.278 -2.993 1.00 0.00 C ATOM 1601 O SER A 100 203.193 -8.754 -3.511 1.00 0.00 O ATOM 1602 CB SER A 100 202.757 -6.733 -1.661 1.00 0.00 C ATOM 1603 OG SER A 100 202.677 -5.717 -2.647 1.00 0.00 O ATOM 0 H SER A 100 205.018 -5.604 -2.134 1.00 0.00 H new ATOM 0 HA SER A 100 204.197 -8.119 -0.863 1.00 0.00 H new ATOM 0 HB2 SER A 100 201.954 -7.455 -1.812 1.00 0.00 H new ATOM 0 HB3 SER A 100 202.612 -6.297 -0.672 1.00 0.00 H new ATOM 0 HG SER A 100 201.803 -5.277 -2.593 1.00 0.00 H new ATOM 1609 N VAL A 101 205.422 -8.450 -3.497 1.00 0.00 N ATOM 1610 CA VAL A 101 205.643 -9.224 -4.713 1.00 0.00 C ATOM 1611 C VAL A 101 206.020 -10.663 -4.381 1.00 0.00 C ATOM 1612 O VAL A 101 205.661 -11.592 -5.106 1.00 0.00 O ATOM 1613 CB VAL A 101 206.752 -8.602 -5.584 1.00 0.00 C ATOM 1614 CG1 VAL A 101 206.770 -9.242 -6.962 1.00 0.00 C ATOM 1615 CG2 VAL A 101 206.569 -7.095 -5.692 1.00 0.00 C ATOM 0 H VAL A 101 206.270 -8.064 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 101 204.707 -9.213 -5.272 1.00 0.00 H new ATOM 0 HB VAL A 101 207.712 -8.794 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 101 207.559 -8.790 -7.563 1.00 0.00 H new ATOM 0 HG12 VAL A 101 206.956 -10.312 -6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 101 205.808 -9.084 -7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 101 207.362 -6.676 -6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 101 205.602 -6.877 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 101 206.612 -6.651 -4.697 1.00 0.00 H new ATOM 1625 N LYS A 102 206.743 -10.840 -3.281 1.00 0.00 N ATOM 1626 CA LYS A 102 207.168 -12.167 -2.849 1.00 0.00 C ATOM 1627 C LYS A 102 206.002 -12.937 -2.237 1.00 0.00 C ATOM 1628 O LYS A 102 205.484 -13.878 -2.839 1.00 0.00 O ATOM 1629 CB LYS A 102 208.316 -12.052 -1.840 1.00 0.00 C ATOM 1630 CG LYS A 102 208.704 -13.372 -1.189 1.00 0.00 C ATOM 1631 CD LYS A 102 208.980 -14.450 -2.224 1.00 0.00 C ATOM 1632 CE LYS A 102 209.060 -15.826 -1.585 1.00 0.00 C ATOM 1633 NZ LYS A 102 210.235 -15.950 -0.679 1.00 0.00 N ATOM 0 H LYS A 102 207.047 -10.081 -2.671 1.00 0.00 H new ATOM 0 HA LYS A 102 207.519 -12.716 -3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 102 209.189 -11.637 -2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 102 208.032 -11.344 -1.061 1.00 0.00 H new ATOM 0 HG2 LYS A 102 209.590 -13.226 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 102 207.903 -13.700 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 102 208.193 -14.443 -2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 102 209.916 -14.231 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 102 208.146 -16.019 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 102 209.121 -16.585 -2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 210.254 -16.903 -0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 211.109 -15.791 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 210.164 -15.242 0.080 1.00 0.00 H new ATOM 1647 N ASP A 103 205.595 -12.529 -1.036 1.00 0.00 N ATOM 1648 CA ASP A 103 204.487 -13.173 -0.332 1.00 0.00 C ATOM 1649 C ASP A 103 204.601 -14.697 -0.389 1.00 0.00 C ATOM 1650 O ASP A 103 205.639 -15.238 -0.771 1.00 0.00 O ATOM 1651 CB ASP A 103 203.147 -12.716 -0.919 1.00 0.00 C ATOM 1652 CG ASP A 103 202.906 -13.253 -2.319 1.00 0.00 C ATOM 1653 OD1 ASP A 103 202.419 -14.394 -2.441 1.00 0.00 O ATOM 1654 OD2 ASP A 103 203.205 -12.527 -3.291 1.00 0.00 O ATOM 0 H ASP A 103 206.018 -11.752 -0.528 1.00 0.00 H new ATOM 0 HA ASP A 103 204.536 -12.874 0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 103 202.338 -13.043 -0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 103 203.118 -11.627 -0.942 1.00 0.00 H new ATOM 1659 N ALA A 104 203.528 -15.382 -0.006 1.00 0.00 N ATOM 1660 CA ALA A 104 203.507 -16.839 -0.011 1.00 0.00 C ATOM 1661 C ALA A 104 203.775 -17.389 -1.409 1.00 0.00 C ATOM 1662 O ALA A 104 202.852 -17.579 -2.201 1.00 0.00 O ATOM 1663 CB ALA A 104 202.175 -17.347 0.516 1.00 0.00 C ATOM 0 H ALA A 104 202.661 -14.950 0.312 1.00 0.00 H new ATOM 0 HA ALA A 104 204.302 -17.193 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 104 202.172 -18.437 0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 104 202.028 -16.992 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 104 201.368 -16.977 -0.117 1.00 0.00 H new ATOM 1669 N ASN A 105 205.046 -17.639 -1.700 1.00 0.00 N ATOM 1670 CA ASN A 105 205.450 -18.166 -2.998 1.00 0.00 C ATOM 1671 C ASN A 105 205.697 -19.668 -2.911 1.00 0.00 C ATOM 1672 O ASN A 105 206.823 -20.113 -2.696 1.00 0.00 O ATOM 1673 CB ASN A 105 206.715 -17.454 -3.486 1.00 0.00 C ATOM 1674 CG ASN A 105 206.511 -16.759 -4.818 1.00 0.00 C ATOM 1675 OD1 ASN A 105 206.982 -15.640 -5.026 1.00 0.00 O ATOM 1676 ND2 ASN A 105 205.804 -17.419 -5.729 1.00 0.00 N ATOM 0 H ASN A 105 205.818 -17.484 -1.051 1.00 0.00 H new ATOM 0 HA ASN A 105 204.645 -17.986 -3.710 1.00 0.00 H new ATOM 0 HB2 ASN A 105 207.026 -16.722 -2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 105 207.524 -18.179 -3.578 1.00 0.00 H new ATOM 0 HD21 ASN A 105 205.633 -17.000 -6.643 1.00 0.00 H new ATOM 0 HD22 ASN A 105 205.432 -18.344 -5.514 1.00 0.00 H new ATOM 1683 N PHE A 106 204.629 -20.439 -3.060 1.00 0.00 N ATOM 1684 CA PHE A 106 204.722 -21.894 -2.978 1.00 0.00 C ATOM 1685 C PHE A 106 204.893 -22.520 -4.359 1.00 0.00 C ATOM 1686 O PHE A 106 204.362 -23.596 -4.634 1.00 0.00 O ATOM 1687 CB PHE A 106 203.488 -22.485 -2.279 1.00 0.00 C ATOM 1688 CG PHE A 106 202.220 -21.697 -2.470 1.00 0.00 C ATOM 1689 CD1 PHE A 106 202.051 -20.461 -1.857 1.00 0.00 C ATOM 1690 CD2 PHE A 106 201.193 -22.197 -3.254 1.00 0.00 C ATOM 1691 CE1 PHE A 106 200.882 -19.744 -2.029 1.00 0.00 C ATOM 1692 CE2 PHE A 106 200.024 -21.483 -3.429 1.00 0.00 C ATOM 1693 CZ PHE A 106 199.868 -20.255 -2.816 1.00 0.00 C ATOM 0 H PHE A 106 203.689 -20.085 -3.238 1.00 0.00 H new ATOM 0 HA PHE A 106 205.606 -22.130 -2.385 1.00 0.00 H new ATOM 0 HB2 PHE A 106 203.329 -23.498 -2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 106 203.694 -22.563 -1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 106 202.841 -20.057 -1.241 1.00 0.00 H new ATOM 0 HD2 PHE A 106 201.308 -23.157 -3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 106 200.761 -18.784 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 106 199.233 -21.884 -4.045 1.00 0.00 H new ATOM 0 HZ PHE A 106 198.955 -19.695 -2.952 1.00 0.00 H new ATOM 1703 N VAL A 107 205.641 -21.841 -5.224 1.00 0.00 N ATOM 1704 CA VAL A 107 205.888 -22.335 -6.572 1.00 0.00 C ATOM 1705 C VAL A 107 207.306 -22.890 -6.692 1.00 0.00 C ATOM 1706 O VAL A 107 208.253 -22.154 -6.969 1.00 0.00 O ATOM 1707 CB VAL A 107 205.678 -21.226 -7.625 1.00 0.00 C ATOM 1708 CG1 VAL A 107 206.617 -20.055 -7.374 1.00 0.00 C ATOM 1709 CG2 VAL A 107 205.860 -21.779 -9.032 1.00 0.00 C ATOM 0 H VAL A 107 206.086 -20.947 -5.014 1.00 0.00 H new ATOM 0 HA VAL A 107 205.171 -23.134 -6.761 1.00 0.00 H new ATOM 0 HB VAL A 107 204.655 -20.860 -7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 107 206.450 -19.287 -8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 107 206.424 -19.640 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 107 207.650 -20.399 -7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 107 205.708 -20.981 -9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 107 206.868 -22.179 -9.138 1.00 0.00 H new ATOM 0 HG23 VAL A 107 205.134 -22.573 -9.207 1.00 0.00 H new ATOM 1719 N GLU A 108 207.446 -24.194 -6.472 1.00 0.00 N ATOM 1720 CA GLU A 108 208.744 -24.847 -6.546 1.00 0.00 C ATOM 1721 C GLU A 108 208.864 -25.684 -7.817 1.00 0.00 C ATOM 1722 O GLU A 108 208.053 -25.559 -8.735 1.00 0.00 O ATOM 1723 CB GLU A 108 208.958 -25.729 -5.311 1.00 0.00 C ATOM 1724 CG GLU A 108 208.012 -26.920 -5.240 1.00 0.00 C ATOM 1725 CD GLU A 108 206.698 -26.581 -4.562 1.00 0.00 C ATOM 1726 OE1 GLU A 108 205.842 -25.943 -5.211 1.00 0.00 O ATOM 1727 OE2 GLU A 108 206.526 -26.955 -3.384 1.00 0.00 O ATOM 0 H GLU A 108 206.673 -24.818 -6.241 1.00 0.00 H new ATOM 0 HA GLU A 108 209.514 -24.076 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 108 209.986 -26.092 -5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 108 208.832 -25.121 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 108 207.813 -27.282 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 108 208.497 -27.733 -4.699 1.00 0.00 H new ATOM 1734 N GLU A 109 209.881 -26.535 -7.857 1.00 0.00 N ATOM 1735 CA GLU A 109 210.116 -27.400 -9.008 1.00 0.00 C ATOM 1736 C GLU A 109 209.454 -28.764 -8.798 1.00 0.00 C ATOM 1737 O GLU A 109 208.432 -28.857 -8.121 1.00 0.00 O ATOM 1738 CB GLU A 109 211.621 -27.558 -9.243 1.00 0.00 C ATOM 1739 CG GLU A 109 212.007 -27.597 -10.714 1.00 0.00 C ATOM 1740 CD GLU A 109 211.828 -26.257 -11.402 1.00 0.00 C ATOM 1741 OE1 GLU A 109 212.041 -25.219 -10.743 1.00 0.00 O ATOM 1742 OE2 GLU A 109 211.474 -26.247 -12.600 1.00 0.00 O ATOM 0 H GLU A 109 210.559 -26.646 -7.103 1.00 0.00 H new ATOM 0 HA GLU A 109 209.671 -26.941 -9.891 1.00 0.00 H new ATOM 0 HB2 GLU A 109 212.144 -26.732 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 109 211.961 -28.475 -8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 109 213.047 -27.911 -10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 109 211.402 -28.347 -11.224 1.00 0.00 H new ATOM 1749 N VAL A 110 210.038 -29.815 -9.385 1.00 0.00 N ATOM 1750 CA VAL A 110 209.510 -31.178 -9.272 1.00 0.00 C ATOM 1751 C VAL A 110 208.484 -31.469 -10.369 1.00 0.00 C ATOM 1752 O VAL A 110 207.742 -32.449 -10.293 1.00 0.00 O ATOM 1753 CB VAL A 110 208.895 -31.457 -7.873 1.00 0.00 C ATOM 1754 CG1 VAL A 110 207.376 -31.309 -7.880 1.00 0.00 C ATOM 1755 CG2 VAL A 110 209.291 -32.843 -7.387 1.00 0.00 C ATOM 0 H VAL A 110 210.885 -29.745 -9.949 1.00 0.00 H new ATOM 0 HA VAL A 110 210.358 -31.850 -9.400 1.00 0.00 H new ATOM 0 HB VAL A 110 209.293 -30.711 -7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 110 206.986 -31.513 -6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 110 207.111 -30.293 -8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 110 206.945 -32.015 -8.589 1.00 0.00 H new ATOM 0 HG21 VAL A 110 208.852 -33.024 -6.406 1.00 0.00 H new ATOM 0 HG22 VAL A 110 208.928 -33.593 -8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 110 210.377 -32.907 -7.317 1.00 0.00 H new ATOM 1765 N GLU A 111 208.453 -30.618 -11.391 1.00 0.00 N ATOM 1766 CA GLU A 111 207.522 -30.789 -12.500 1.00 0.00 C ATOM 1767 C GLU A 111 207.997 -31.893 -13.440 1.00 0.00 C ATOM 1768 O GLU A 111 208.276 -31.648 -14.615 1.00 0.00 O ATOM 1769 CB GLU A 111 207.366 -29.474 -13.268 1.00 0.00 C ATOM 1770 CG GLU A 111 206.190 -28.631 -12.800 1.00 0.00 C ATOM 1771 CD GLU A 111 206.535 -27.756 -11.610 1.00 0.00 C ATOM 1772 OE1 GLU A 111 207.739 -27.575 -11.336 1.00 0.00 O ATOM 1773 OE2 GLU A 111 205.599 -27.255 -10.953 1.00 0.00 O ATOM 0 H GLU A 111 209.062 -29.804 -11.473 1.00 0.00 H new ATOM 0 HA GLU A 111 206.553 -31.078 -12.092 1.00 0.00 H new ATOM 0 HB2 GLU A 111 208.282 -28.893 -13.166 1.00 0.00 H new ATOM 0 HB3 GLU A 111 207.245 -29.695 -14.329 1.00 0.00 H new ATOM 0 HG2 GLU A 111 205.849 -28.002 -13.622 1.00 0.00 H new ATOM 0 HG3 GLU A 111 205.360 -29.287 -12.536 1.00 0.00 H new ATOM 1780 N GLU A 112 208.088 -33.110 -12.916 1.00 0.00 N ATOM 1781 CA GLU A 112 208.530 -34.254 -13.705 1.00 0.00 C ATOM 1782 C GLU A 112 207.516 -35.392 -13.627 1.00 0.00 C ATOM 1783 O GLU A 112 207.862 -36.558 -13.817 1.00 0.00 O ATOM 1784 CB GLU A 112 209.900 -34.736 -13.221 1.00 0.00 C ATOM 1785 CG GLU A 112 211.038 -34.378 -14.163 1.00 0.00 C ATOM 1786 CD GLU A 112 211.435 -35.533 -15.062 1.00 0.00 C ATOM 1787 OE1 GLU A 112 210.555 -36.357 -15.392 1.00 0.00 O ATOM 1788 OE2 GLU A 112 212.622 -35.612 -15.438 1.00 0.00 O ATOM 0 H GLU A 112 207.861 -33.330 -11.946 1.00 0.00 H new ATOM 0 HA GLU A 112 208.613 -33.938 -14.745 1.00 0.00 H new ATOM 0 HB2 GLU A 112 210.102 -34.305 -12.240 1.00 0.00 H new ATOM 0 HB3 GLU A 112 209.871 -35.818 -13.094 1.00 0.00 H new ATOM 0 HG2 GLU A 112 210.742 -33.528 -14.778 1.00 0.00 H new ATOM 0 HG3 GLU A 112 211.903 -34.063 -13.579 1.00 0.00 H new ATOM 1795 N GLU A 113 206.263 -35.047 -13.347 1.00 0.00 N ATOM 1796 CA GLU A 113 205.202 -36.040 -13.244 1.00 0.00 C ATOM 1797 C GLU A 113 204.645 -36.385 -14.622 1.00 0.00 C ATOM 1798 O GLU A 113 205.391 -36.239 -15.613 1.00 0.00 O ATOM 1799 CB GLU A 113 204.078 -35.528 -12.341 1.00 0.00 C ATOM 1800 CG GLU A 113 203.604 -34.128 -12.693 1.00 0.00 C ATOM 1801 CD GLU A 113 202.290 -33.772 -12.024 1.00 0.00 C ATOM 1802 OE1 GLU A 113 201.548 -34.702 -11.641 1.00 0.00 O ATOM 1803 OE2 GLU A 113 202.003 -32.565 -11.884 1.00 0.00 O ATOM 1804 OXT GLU A 113 203.469 -36.798 -14.698 1.00 0.00 O ATOM 0 H GLU A 113 205.959 -34.087 -13.188 1.00 0.00 H new ATOM 0 HA GLU A 113 205.626 -36.943 -12.806 1.00 0.00 H new ATOM 0 HB2 GLU A 113 203.233 -36.214 -12.402 1.00 0.00 H new ATOM 0 HB3 GLU A 113 204.422 -35.537 -11.307 1.00 0.00 H new ATOM 0 HG2 GLU A 113 204.365 -33.406 -12.398 1.00 0.00 H new ATOM 0 HG3 GLU A 113 203.491 -34.048 -13.774 1.00 0.00 H new TER 1811 GLU A 113