USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 701 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 26 LYS NZ :NH3+ 173:sc= 0.745 (180deg=0.705) USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 1.17 K(o=1.2,f=-0.016) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.615 USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 1.13 (180deg=0.751) USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= -0.182 (180deg=-0.846) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 29:sc= 1.22 USER MOD Single : A 47 MET CE :methyl 172:sc= -1.24 (180deg=-1.33) USER MOD Single : A 53 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 10:sc= 1.18 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00565 USER MOD Single : A 64 TYR OH : rot -118:sc= 0.141 USER MOD Single : A 69 THR OG1 : rot 86:sc= 1.14 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 76 MET CE :methyl -165:sc= -0.359 (180deg=-1.01) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 81 MET CE :methyl 165:sc=-0.00883 (180deg=-0.0322) USER MOD Single : A 84 GLN : amide:sc= -0.292 X(o=-0.29,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 85:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 -10.634 10.936 -0.780 1.00 1.00 N ATOM 28 CA ARG A 3 -10.794 9.504 -0.997 1.00 1.00 C ATOM 29 C ARG A 3 -9.483 8.745 -1.098 1.00 1.00 C ATOM 30 O ARG A 3 -9.477 7.586 -0.714 1.00 1.00 O ATOM 31 CB ARG A 3 -11.646 9.202 -2.240 1.00 1.00 C ATOM 32 CG ARG A 3 -13.148 9.541 -2.168 1.00 1.00 C ATOM 33 CD ARG A 3 -13.544 10.796 -2.960 1.00 1.00 C ATOM 34 NE ARG A 3 -13.270 12.014 -2.190 1.00 1.00 N ATOM 35 CZ ARG A 3 -12.944 13.226 -2.642 1.00 1.00 C ATOM 36 NH1 ARG A 3 -12.811 13.477 -3.938 1.00 1.00 N ATOM 37 NH2 ARG A 3 -12.725 14.179 -1.749 1.00 1.00 N ATOM 0 HA ARG A 3 -11.309 9.152 -0.103 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -11.218 9.745 -3.082 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.551 8.140 -2.464 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -13.720 8.692 -2.543 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -13.429 9.679 -1.124 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -12.994 10.825 -3.901 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -14.604 10.752 -3.212 1.00 1.00 H new ATOM 0 HE ARG A 3 -13.338 11.922 -1.176 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -12.959 12.733 -4.619 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -12.561 14.414 -4.253 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -12.808 13.974 -0.753 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -12.474 15.118 -2.057 1.00 1.00 H new ATOM 51 N ALA A 4 -8.392 9.358 -1.566 1.00 1.00 N ATOM 52 CA ALA A 4 -7.092 8.686 -1.586 1.00 1.00 C ATOM 53 C ALA A 4 -6.752 8.150 -0.197 1.00 1.00 C ATOM 54 O ALA A 4 -6.464 6.966 -0.017 1.00 1.00 O ATOM 55 CB ALA A 4 -5.990 9.642 -2.078 1.00 1.00 C ATOM 0 H ALA A 4 -8.383 10.310 -1.933 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.150 7.848 -2.280 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.033 9.121 -2.085 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -6.226 9.981 -3.087 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.930 10.502 -1.411 1.00 1.00 H new ATOM 61 N ARG A 5 -6.771 9.037 0.798 1.00 1.00 N ATOM 62 CA ARG A 5 -6.379 8.657 2.142 1.00 1.00 C ATOM 63 C ARG A 5 -7.460 7.819 2.790 1.00 1.00 C ATOM 64 O ARG A 5 -7.112 6.903 3.527 1.00 1.00 O ATOM 65 CB ARG A 5 -6.101 9.874 3.015 1.00 1.00 C ATOM 66 CG ARG A 5 -5.109 10.857 2.385 1.00 1.00 C ATOM 67 CD ARG A 5 -4.335 11.604 3.489 1.00 1.00 C ATOM 68 NE ARG A 5 -5.201 12.100 4.578 1.00 1.00 N ATOM 69 CZ ARG A 5 -6.206 12.982 4.509 1.00 1.00 C ATOM 70 NH1 ARG A 5 -6.438 13.677 3.401 1.00 1.00 N ATOM 71 NH2 ARG A 5 -6.989 13.164 5.559 1.00 1.00 N ATOM 0 H ARG A 5 -7.052 10.012 0.694 1.00 1.00 H new ATOM 0 HA ARG A 5 -5.461 8.076 2.056 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -7.039 10.392 3.213 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.711 9.541 3.977 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -4.413 10.321 1.740 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -5.641 11.571 1.756 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -3.581 10.938 3.909 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -3.804 12.446 3.045 1.00 1.00 H new ATOM 0 HE ARG A 5 -5.008 11.721 5.505 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -5.845 13.544 2.582 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -7.209 14.344 3.369 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -6.826 12.634 6.415 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -7.756 13.834 5.513 1.00 1.00 H new ATOM 85 N ASP A 6 -8.731 8.131 2.528 1.00 1.00 N ATOM 86 CA ASP A 6 -9.846 7.403 3.113 1.00 1.00 C ATOM 87 C ASP A 6 -9.733 5.942 2.697 1.00 1.00 C ATOM 88 O ASP A 6 -9.764 5.042 3.530 1.00 1.00 O ATOM 89 CB ASP A 6 -11.200 7.928 2.611 1.00 1.00 C ATOM 90 CG ASP A 6 -11.546 9.389 2.880 1.00 1.00 C ATOM 91 OD1 ASP A 6 -10.930 10.039 3.751 1.00 1.00 O ATOM 92 OD2 ASP A 6 -12.484 9.887 2.213 1.00 1.00 O ATOM 0 H ASP A 6 -9.009 8.891 1.908 1.00 1.00 H new ATOM 0 HA ASP A 6 -9.802 7.529 4.195 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -11.241 7.768 1.534 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.982 7.312 3.055 1.00 1.00 H new ATOM 97 N ALA A 7 -9.573 5.714 1.393 1.00 1.00 N ATOM 98 CA ALA A 7 -9.557 4.401 0.799 1.00 1.00 C ATOM 99 C ALA A 7 -8.296 3.621 1.147 1.00 1.00 C ATOM 100 O ALA A 7 -8.422 2.415 1.353 1.00 1.00 O ATOM 101 CB ALA A 7 -9.755 4.527 -0.714 1.00 1.00 C ATOM 0 H ALA A 7 -9.449 6.465 0.714 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.382 3.824 1.216 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.743 3.535 -1.166 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.712 5.007 -0.917 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.950 5.128 -1.137 1.00 1.00 H new ATOM 107 N ILE A 8 -7.102 4.240 1.203 1.00 1.00 N ATOM 108 CA ILE A 8 -5.918 3.494 1.648 1.00 1.00 C ATOM 109 C ILE A 8 -6.143 3.076 3.103 1.00 1.00 C ATOM 110 O ILE A 8 -6.022 1.889 3.385 1.00 1.00 O ATOM 111 CB ILE A 8 -4.579 4.237 1.421 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.340 4.528 -0.080 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.403 3.417 1.982 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.333 5.663 -0.308 1.00 1.00 C ATOM 0 H ILE A 8 -6.937 5.216 0.956 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.808 2.606 1.026 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.641 5.188 1.950 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.979 3.623 -0.569 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.288 4.788 -0.551 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.471 3.956 1.813 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.544 3.263 3.052 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.360 2.451 1.479 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.203 5.825 -1.378 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.704 6.577 0.155 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.375 5.394 0.137 1.00 1.00 H new ATOM 126 N LEU A 9 -6.525 4.001 3.991 1.00 1.00 N ATOM 127 CA LEU A 9 -6.774 3.733 5.408 1.00 1.00 C ATOM 128 C LEU A 9 -7.768 2.592 5.561 1.00 1.00 C ATOM 129 O LEU A 9 -7.477 1.601 6.234 1.00 1.00 O ATOM 130 CB LEU A 9 -7.248 5.036 6.074 1.00 1.00 C ATOM 131 CG LEU A 9 -7.620 5.015 7.567 1.00 1.00 C ATOM 132 CD1 LEU A 9 -9.056 4.539 7.809 1.00 1.00 C ATOM 133 CD2 LEU A 9 -6.625 4.242 8.442 1.00 1.00 C ATOM 0 H LEU A 9 -6.672 4.978 3.737 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.861 3.410 5.909 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.462 5.779 5.941 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.119 5.390 5.522 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.559 6.057 7.882 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -9.265 4.544 8.879 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.751 5.207 7.300 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -9.174 3.528 7.420 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.954 4.272 9.481 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -6.574 3.206 8.107 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.638 4.698 8.361 1.00 1.00 H new ATOM 145 N ASP A 10 -8.909 2.710 4.881 1.00 1.00 N ATOM 146 CA ASP A 10 -9.941 1.683 4.856 1.00 1.00 C ATOM 147 C ASP A 10 -9.365 0.366 4.358 1.00 1.00 C ATOM 148 O ASP A 10 -9.725 -0.685 4.881 1.00 1.00 O ATOM 149 CB ASP A 10 -11.107 2.059 3.933 1.00 1.00 C ATOM 150 CG ASP A 10 -12.136 3.011 4.532 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.370 2.983 5.761 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.860 3.668 3.745 1.00 1.00 O ATOM 0 H ASP A 10 -9.142 3.534 4.326 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.308 1.588 5.878 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.701 2.513 3.029 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.617 1.145 3.629 1.00 1.00 H new ATOM 157 N ALA A 11 -8.490 0.390 3.347 1.00 1.00 N ATOM 158 CA ALA A 11 -7.908 -0.826 2.817 1.00 1.00 C ATOM 159 C ALA A 11 -7.143 -1.543 3.908 1.00 1.00 C ATOM 160 O ALA A 11 -7.424 -2.716 4.133 1.00 1.00 O ATOM 161 CB ALA A 11 -7.021 -0.599 1.585 1.00 1.00 C ATOM 0 H ALA A 11 -8.176 1.244 2.886 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.734 -1.448 2.473 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.620 -1.554 1.244 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -7.613 -0.149 0.788 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.199 0.067 1.846 1.00 1.00 H new ATOM 167 N LEU A 12 -6.205 -0.871 4.586 1.00 1.00 N ATOM 168 CA LEU A 12 -5.382 -1.570 5.568 1.00 1.00 C ATOM 169 C LEU A 12 -6.259 -2.092 6.708 1.00 1.00 C ATOM 170 O LEU A 12 -6.028 -3.185 7.211 1.00 1.00 O ATOM 171 CB LEU A 12 -4.297 -0.723 6.207 1.00 1.00 C ATOM 172 CG LEU A 12 -3.241 -0.131 5.275 1.00 1.00 C ATOM 173 CD1 LEU A 12 -2.985 -0.932 3.980 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.592 1.328 5.001 1.00 1.00 C ATOM 0 H LEU A 12 -6.004 0.123 4.476 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.899 -2.367 5.003 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.777 0.098 6.740 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.787 -1.332 6.953 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.284 -0.195 5.792 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -2.220 -0.430 3.387 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -2.646 -1.936 4.234 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -3.908 -0.995 3.403 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.846 1.763 4.336 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.574 1.384 4.530 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.608 1.881 5.940 1.00 1.00 H new ATOM 186 N GLU A 13 -7.256 -1.300 7.114 1.00 1.00 N ATOM 187 CA GLU A 13 -8.226 -1.655 8.141 1.00 1.00 C ATOM 188 C GLU A 13 -8.968 -2.943 7.758 1.00 1.00 C ATOM 189 O GLU A 13 -9.205 -3.799 8.614 1.00 1.00 O ATOM 190 CB GLU A 13 -9.202 -0.491 8.376 1.00 1.00 C ATOM 191 CG GLU A 13 -8.603 0.615 9.258 1.00 1.00 C ATOM 192 CD GLU A 13 -8.802 0.327 10.747 1.00 1.00 C ATOM 193 OE1 GLU A 13 -8.283 -0.695 11.260 1.00 1.00 O ATOM 194 OE2 GLU A 13 -9.526 1.109 11.407 1.00 1.00 O ATOM 0 H GLU A 13 -7.410 -0.370 6.724 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.698 -1.844 9.076 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.493 -0.066 7.415 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -10.110 -0.872 8.844 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.538 0.712 9.046 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -9.066 1.570 9.008 1.00 1.00 H new ATOM 201 N ASN A 14 -9.378 -3.062 6.489 1.00 1.00 N ATOM 202 CA ASN A 14 -10.007 -4.240 5.906 1.00 1.00 C ATOM 203 C ASN A 14 -9.020 -5.382 5.626 1.00 1.00 C ATOM 204 O ASN A 14 -9.480 -6.498 5.362 1.00 1.00 O ATOM 205 CB ASN A 14 -10.709 -3.866 4.586 1.00 1.00 C ATOM 206 CG ASN A 14 -12.087 -3.241 4.760 1.00 1.00 C ATOM 207 OD1 ASN A 14 -13.099 -3.936 4.671 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.177 -1.950 4.993 1.00 1.00 N ATOM 0 H ASN A 14 -9.273 -2.303 5.816 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.724 -4.596 6.646 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -10.075 -3.170 4.036 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.805 -4.762 3.973 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.093 -1.514 5.102 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.331 -1.385 5.065 1.00 1.00 H new ATOM 215 N LEU A 15 -7.700 -5.175 5.658 1.00 1.00 N ATOM 216 CA LEU A 15 -6.728 -6.233 5.418 1.00 1.00 C ATOM 217 C LEU A 15 -6.530 -6.979 6.729 1.00 1.00 C ATOM 218 O LEU A 15 -6.771 -6.442 7.812 1.00 1.00 O ATOM 219 CB LEU A 15 -5.375 -5.648 4.960 1.00 1.00 C ATOM 220 CG LEU A 15 -5.288 -5.181 3.498 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.899 -4.649 3.142 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.599 -6.312 2.526 1.00 1.00 C ATOM 0 H LEU A 15 -7.280 -4.266 5.852 1.00 1.00 H new ATOM 0 HA LEU A 15 -7.093 -6.895 4.633 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -5.134 -4.802 5.603 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.605 -6.402 5.124 1.00 1.00 H new ATOM 0 HG LEU A 15 -6.026 -4.384 3.406 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.887 -4.331 2.099 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.659 -3.800 3.783 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.159 -5.436 3.290 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.527 -5.943 1.503 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -4.884 -7.122 2.670 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -6.608 -6.681 2.708 1.00 1.00 H new ATOM 234 N THR A 16 -6.055 -8.215 6.650 1.00 1.00 N ATOM 235 CA THR A 16 -5.841 -9.032 7.832 1.00 1.00 C ATOM 236 C THR A 16 -4.399 -8.853 8.277 1.00 1.00 C ATOM 237 O THR A 16 -3.596 -8.319 7.515 1.00 1.00 O ATOM 238 CB THR A 16 -6.141 -10.503 7.481 1.00 1.00 C ATOM 239 OG1 THR A 16 -5.242 -10.911 6.468 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.566 -10.715 6.955 1.00 1.00 C ATOM 0 H THR A 16 -5.810 -8.674 5.773 1.00 1.00 H new ATOM 0 HA THR A 16 -6.501 -8.734 8.646 1.00 1.00 H new ATOM 0 HB THR A 16 -6.032 -11.084 8.397 1.00 1.00 H new ATOM 0 HG1 THR A 16 -5.417 -11.846 6.233 1.00 1.00 H new ATOM 0 HG21 THR A 16 -7.716 -11.770 6.726 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.284 -10.403 7.713 1.00 1.00 H new ATOM 0 HG23 THR A 16 -7.712 -10.123 6.052 1.00 1.00 H new ATOM 248 N ALA A 17 -4.027 -9.312 9.471 1.00 1.00 N ATOM 249 CA ALA A 17 -2.631 -9.222 9.877 1.00 1.00 C ATOM 250 C ALA A 17 -1.729 -10.011 8.920 1.00 1.00 C ATOM 251 O ALA A 17 -0.569 -9.655 8.742 1.00 1.00 O ATOM 252 CB ALA A 17 -2.460 -9.703 11.315 1.00 1.00 C ATOM 0 H ALA A 17 -4.653 -9.737 10.154 1.00 1.00 H new ATOM 0 HA ALA A 17 -2.328 -8.176 9.830 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -1.411 -9.629 11.601 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -3.062 -9.084 11.980 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.785 -10.741 11.393 1.00 1.00 H new ATOM 258 N GLU A 18 -2.217 -11.095 8.318 1.00 1.00 N ATOM 259 CA GLU A 18 -1.492 -11.898 7.341 1.00 1.00 C ATOM 260 C GLU A 18 -1.382 -11.163 6.005 1.00 1.00 C ATOM 261 O GLU A 18 -0.294 -11.112 5.430 1.00 1.00 O ATOM 262 CB GLU A 18 -2.203 -13.252 7.209 1.00 1.00 C ATOM 263 CG GLU A 18 -1.797 -14.106 6.003 1.00 1.00 C ATOM 264 CD GLU A 18 -0.302 -14.406 5.875 1.00 1.00 C ATOM 265 OE1 GLU A 18 0.445 -14.462 6.882 1.00 1.00 O ATOM 266 OE2 GLU A 18 0.143 -14.667 4.736 1.00 1.00 O ATOM 0 H GLU A 18 -3.156 -11.447 8.504 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.469 -12.070 7.675 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.018 -13.828 8.116 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.277 -13.073 7.158 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.336 -15.052 6.053 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -2.126 -13.600 5.095 1.00 1.00 H new ATOM 273 N GLU A 19 -2.469 -10.575 5.498 1.00 1.00 N ATOM 274 CA GLU A 19 -2.379 -9.804 4.266 1.00 1.00 C ATOM 275 C GLU A 19 -1.507 -8.569 4.528 1.00 1.00 C ATOM 276 O GLU A 19 -0.663 -8.247 3.704 1.00 1.00 O ATOM 277 CB GLU A 19 -3.757 -9.433 3.694 1.00 1.00 C ATOM 278 CG GLU A 19 -4.646 -10.636 3.316 1.00 1.00 C ATOM 279 CD GLU A 19 -5.009 -10.709 1.827 1.00 1.00 C ATOM 280 OE1 GLU A 19 -4.241 -11.322 1.047 1.00 1.00 O ATOM 281 OE2 GLU A 19 -6.121 -10.273 1.446 1.00 1.00 O ATOM 0 H GLU A 19 -3.399 -10.618 5.914 1.00 1.00 H new ATOM 0 HA GLU A 19 -1.914 -10.420 3.497 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.287 -8.824 4.426 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.613 -8.814 2.809 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.133 -11.555 3.598 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.565 -10.592 3.900 1.00 1.00 H new ATOM 288 N LEU A 20 -1.615 -7.913 5.688 1.00 1.00 N ATOM 289 CA LEU A 20 -0.762 -6.791 6.068 1.00 1.00 C ATOM 290 C LEU A 20 0.697 -7.227 6.131 1.00 1.00 C ATOM 291 O LEU A 20 1.541 -6.527 5.582 1.00 1.00 O ATOM 292 CB LEU A 20 -1.192 -6.133 7.399 1.00 1.00 C ATOM 293 CG LEU A 20 -2.461 -5.252 7.339 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.653 -4.487 8.649 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.338 -4.166 6.262 1.00 1.00 C ATOM 0 H LEU A 20 -2.308 -8.153 6.397 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.876 -6.032 5.294 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.355 -6.920 8.135 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.366 -5.522 7.763 1.00 1.00 H new ATOM 0 HG LEU A 20 -3.287 -5.932 7.133 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.552 -3.874 8.584 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.755 -5.194 9.472 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.789 -3.847 8.826 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -3.247 -3.565 6.246 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.484 -3.527 6.486 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -2.196 -4.634 5.288 1.00 1.00 H new ATOM 307 N LYS A 21 1.016 -8.382 6.716 1.00 1.00 N ATOM 308 CA LYS A 21 2.372 -8.927 6.735 1.00 1.00 C ATOM 309 C LYS A 21 2.896 -8.987 5.307 1.00 1.00 C ATOM 310 O LYS A 21 3.974 -8.474 4.999 1.00 1.00 O ATOM 311 CB LYS A 21 2.330 -10.338 7.336 1.00 1.00 C ATOM 312 CG LYS A 21 3.711 -10.985 7.545 1.00 1.00 C ATOM 313 CD LYS A 21 3.606 -12.513 7.441 1.00 1.00 C ATOM 314 CE LYS A 21 3.538 -12.929 5.966 1.00 1.00 C ATOM 315 NZ LYS A 21 3.040 -14.305 5.784 1.00 1.00 N ATOM 0 H LYS A 21 0.333 -8.970 7.194 1.00 1.00 H new ATOM 0 HA LYS A 21 3.028 -8.297 7.336 1.00 1.00 H new ATOM 0 HB2 LYS A 21 1.814 -10.295 8.295 1.00 1.00 H new ATOM 0 HB3 LYS A 21 1.737 -10.979 6.684 1.00 1.00 H new ATOM 0 HG2 LYS A 21 4.412 -10.610 6.799 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.106 -10.707 8.522 1.00 1.00 H new ATOM 0 HD2 LYS A 21 4.466 -12.979 7.921 1.00 1.00 H new ATOM 0 HD3 LYS A 21 2.719 -12.863 7.968 1.00 1.00 H new ATOM 0 HE2 LYS A 21 2.889 -12.238 5.428 1.00 1.00 H new ATOM 0 HE3 LYS A 21 4.530 -12.845 5.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 2.902 -14.493 4.771 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 3.732 -14.979 6.170 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 2.134 -14.415 6.283 1.00 1.00 H new ATOM 329 N LYS A 22 2.138 -9.644 4.427 1.00 1.00 N ATOM 330 CA LYS A 22 2.561 -9.828 3.054 1.00 1.00 C ATOM 331 C LYS A 22 2.598 -8.502 2.311 1.00 1.00 C ATOM 332 O LYS A 22 3.491 -8.345 1.494 1.00 1.00 O ATOM 333 CB LYS A 22 1.701 -10.883 2.360 1.00 1.00 C ATOM 334 CG LYS A 22 2.076 -12.280 2.880 1.00 1.00 C ATOM 335 CD LYS A 22 1.635 -13.416 1.958 1.00 1.00 C ATOM 336 CE LYS A 22 2.635 -13.746 0.845 1.00 1.00 C ATOM 337 NZ LYS A 22 2.649 -12.754 -0.247 1.00 1.00 N ATOM 0 H LYS A 22 1.231 -10.054 4.649 1.00 1.00 H new ATOM 0 HA LYS A 22 3.583 -10.208 3.048 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.645 -10.686 2.547 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.848 -10.834 1.281 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.157 -12.331 3.013 1.00 1.00 H new ATOM 0 HG3 LYS A 22 1.626 -12.425 3.862 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.467 -14.311 2.557 1.00 1.00 H new ATOM 0 HD3 LYS A 22 0.679 -13.151 1.506 1.00 1.00 H new ATOM 0 HE2 LYS A 22 3.634 -13.816 1.274 1.00 1.00 H new ATOM 0 HE3 LYS A 22 2.396 -14.726 0.432 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 3.036 -13.191 -1.108 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 1.679 -12.426 -0.431 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 3.242 -11.945 0.027 1.00 1.00 H new ATOM 351 N PHE A 23 1.726 -7.541 2.595 1.00 1.00 N ATOM 352 CA PHE A 23 1.764 -6.211 2.001 1.00 1.00 C ATOM 353 C PHE A 23 3.087 -5.557 2.370 1.00 1.00 C ATOM 354 O PHE A 23 3.856 -5.181 1.493 1.00 1.00 O ATOM 355 CB PHE A 23 0.567 -5.380 2.485 1.00 1.00 C ATOM 356 CG PHE A 23 0.430 -3.996 1.872 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.395 -3.826 0.472 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.289 -2.872 2.709 1.00 1.00 C ATOM 359 CE1 PHE A 23 0.214 -2.545 -0.082 1.00 1.00 C ATOM 360 CE2 PHE A 23 0.099 -1.597 2.150 1.00 1.00 C ATOM 361 CZ PHE A 23 0.076 -1.429 0.758 1.00 1.00 C ATOM 0 H PHE A 23 0.960 -7.667 3.256 1.00 1.00 H new ATOM 0 HA PHE A 23 1.692 -6.277 0.915 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.346 -5.939 2.280 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.638 -5.272 3.567 1.00 1.00 H new ATOM 0 HD1 PHE A 23 0.508 -4.682 -0.177 1.00 1.00 H new ATOM 0 HD2 PHE A 23 0.327 -2.990 3.782 1.00 1.00 H new ATOM 0 HE1 PHE A 23 0.181 -2.421 -1.154 1.00 1.00 H new ATOM 0 HE2 PHE A 23 -0.030 -0.741 2.796 1.00 1.00 H new ATOM 0 HZ PHE A 23 -0.048 -0.444 0.333 1.00 1.00 H new ATOM 371 N LYS A 24 3.388 -5.481 3.667 1.00 1.00 N ATOM 372 CA LYS A 24 4.604 -4.902 4.217 1.00 1.00 C ATOM 373 C LYS A 24 5.860 -5.539 3.611 1.00 1.00 C ATOM 374 O LYS A 24 6.841 -4.840 3.369 1.00 1.00 O ATOM 375 CB LYS A 24 4.530 -5.022 5.746 1.00 1.00 C ATOM 376 CG LYS A 24 3.386 -4.188 6.367 1.00 1.00 C ATOM 377 CD LYS A 24 3.158 -4.567 7.833 1.00 1.00 C ATOM 378 CE LYS A 24 2.009 -3.738 8.413 1.00 1.00 C ATOM 379 NZ LYS A 24 1.582 -4.238 9.732 1.00 1.00 N ATOM 0 H LYS A 24 2.762 -5.837 4.389 1.00 1.00 H new ATOM 0 HA LYS A 24 4.681 -3.847 3.954 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.395 -6.069 6.016 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.479 -4.702 6.176 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.626 -3.127 6.296 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.468 -4.346 5.801 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.927 -5.629 7.911 1.00 1.00 H new ATOM 0 HD3 LYS A 24 4.068 -4.395 8.408 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.321 -2.698 8.503 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.163 -3.759 7.726 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 0.803 -3.650 10.090 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 1.260 -5.223 9.642 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.382 -4.194 10.395 1.00 1.00 H new ATOM 393 N LEU A 25 5.842 -6.844 3.335 1.00 1.00 N ATOM 394 CA LEU A 25 6.930 -7.542 2.656 1.00 1.00 C ATOM 395 C LEU A 25 6.956 -7.195 1.173 1.00 1.00 C ATOM 396 O LEU A 25 8.006 -6.836 0.648 1.00 1.00 O ATOM 397 CB LEU A 25 6.761 -9.062 2.819 1.00 1.00 C ATOM 398 CG LEU A 25 7.130 -9.551 4.227 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.459 -10.901 4.502 1.00 1.00 C ATOM 400 CD2 LEU A 25 8.652 -9.672 4.356 1.00 1.00 C ATOM 0 H LEU A 25 5.061 -7.452 3.581 1.00 1.00 H new ATOM 0 HA LEU A 25 7.870 -7.225 3.108 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.728 -9.334 2.604 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.385 -9.574 2.086 1.00 1.00 H new ATOM 0 HG LEU A 25 6.775 -8.829 4.962 1.00 1.00 H new ATOM 0 HD11 LEU A 25 6.725 -11.242 5.502 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.377 -10.790 4.432 1.00 1.00 H new ATOM 0 HD13 LEU A 25 6.797 -11.632 3.767 1.00 1.00 H new ATOM 0 HD21 LEU A 25 8.906 -10.019 5.358 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.024 -10.384 3.620 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.110 -8.698 4.183 1.00 1.00 H new ATOM 412 N LYS A 26 5.831 -7.322 0.470 1.00 1.00 N ATOM 413 CA LYS A 26 5.735 -7.116 -0.972 1.00 1.00 C ATOM 414 C LYS A 26 6.075 -5.673 -1.327 1.00 1.00 C ATOM 415 O LYS A 26 6.625 -5.441 -2.404 1.00 1.00 O ATOM 416 CB LYS A 26 4.349 -7.554 -1.476 1.00 1.00 C ATOM 417 CG LYS A 26 4.134 -9.081 -1.348 1.00 1.00 C ATOM 418 CD LYS A 26 4.357 -9.864 -2.645 1.00 1.00 C ATOM 419 CE LYS A 26 5.835 -9.886 -3.039 1.00 1.00 C ATOM 420 NZ LYS A 26 6.022 -10.388 -4.407 1.00 1.00 N ATOM 0 H LYS A 26 4.941 -7.577 0.899 1.00 1.00 H new ATOM 0 HA LYS A 26 6.468 -7.740 -1.484 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.577 -7.032 -0.910 1.00 1.00 H new ATOM 0 HB3 LYS A 26 4.234 -7.259 -2.519 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.809 -9.468 -0.584 1.00 1.00 H new ATOM 0 HG3 LYS A 26 3.118 -9.264 -0.998 1.00 1.00 H new ATOM 0 HD2 LYS A 26 3.997 -10.885 -2.521 1.00 1.00 H new ATOM 0 HD3 LYS A 26 3.772 -9.415 -3.448 1.00 1.00 H new ATOM 0 HE2 LYS A 26 6.248 -8.880 -2.960 1.00 1.00 H new ATOM 0 HE3 LYS A 26 6.389 -10.514 -2.341 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 7.019 -10.279 -4.684 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 5.760 -11.394 -4.447 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 5.420 -9.847 -5.060 1.00 1.00 H new ATOM 434 N LEU A 27 5.812 -4.724 -0.424 1.00 1.00 N ATOM 435 CA LEU A 27 6.174 -3.317 -0.539 1.00 1.00 C ATOM 436 C LEU A 27 7.691 -3.152 -0.614 1.00 1.00 C ATOM 437 O LEU A 27 8.154 -2.110 -1.075 1.00 1.00 O ATOM 438 CB LEU A 27 5.661 -2.537 0.687 1.00 1.00 C ATOM 439 CG LEU A 27 4.180 -2.128 0.644 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.662 -1.681 2.011 1.00 1.00 C ATOM 441 CD2 LEU A 27 4.012 -0.933 -0.286 1.00 1.00 C ATOM 0 H LEU A 27 5.318 -4.930 0.445 1.00 1.00 H new ATOM 0 HA LEU A 27 5.719 -2.929 -1.451 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.825 -3.145 1.577 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.265 -1.637 0.800 1.00 1.00 H new ATOM 0 HG LEU A 27 3.625 -3.003 0.307 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.611 -1.402 1.929 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.766 -2.499 2.724 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.239 -0.823 2.356 1.00 1.00 H new ATOM 0 HD21 LEU A 27 2.962 -0.641 -0.318 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.609 -0.099 0.082 1.00 1.00 H new ATOM 0 HD23 LEU A 27 4.344 -1.203 -1.289 1.00 1.00 H new ATOM 453 N LEU A 28 8.465 -4.148 -0.175 1.00 1.00 N ATOM 454 CA LEU A 28 9.917 -4.182 -0.234 1.00 1.00 C ATOM 455 C LEU A 28 10.357 -5.497 -0.895 1.00 1.00 C ATOM 456 O LEU A 28 11.275 -6.182 -0.435 1.00 1.00 O ATOM 457 CB LEU A 28 10.489 -3.971 1.179 1.00 1.00 C ATOM 458 CG LEU A 28 11.959 -3.474 1.225 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.800 -4.255 2.237 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.718 -3.304 -0.097 1.00 1.00 C ATOM 0 H LEU A 28 8.072 -4.988 0.250 1.00 1.00 H new ATOM 0 HA LEU A 28 10.313 -3.373 -0.848 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.862 -3.251 1.705 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.422 -4.912 1.726 1.00 1.00 H new ATOM 0 HG LEU A 28 11.819 -2.444 1.554 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.821 -3.872 2.234 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.372 -4.139 3.233 1.00 1.00 H new ATOM 0 HD13 LEU A 28 12.808 -5.311 1.966 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.729 -2.951 0.107 1.00 1.00 H new ATOM 0 HD22 LEU A 28 12.765 -4.262 -0.615 1.00 1.00 H new ATOM 0 HD23 LEU A 28 12.200 -2.578 -0.723 1.00 1.00 H new ATOM 472 N SER A 29 9.662 -5.876 -1.966 1.00 1.00 N ATOM 473 CA SER A 29 9.976 -7.022 -2.802 1.00 1.00 C ATOM 474 C SER A 29 10.118 -6.457 -4.212 1.00 1.00 C ATOM 475 O SER A 29 11.234 -6.437 -4.730 1.00 1.00 O ATOM 476 CB SER A 29 8.911 -8.113 -2.637 1.00 1.00 C ATOM 477 OG SER A 29 9.310 -9.375 -3.143 1.00 1.00 O ATOM 0 H SER A 29 8.834 -5.371 -2.283 1.00 1.00 H new ATOM 0 HA SER A 29 10.902 -7.529 -2.529 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.668 -8.215 -1.579 1.00 1.00 H new ATOM 0 HB3 SER A 29 7.999 -7.799 -3.145 1.00 1.00 H new ATOM 0 HG SER A 29 8.590 -10.025 -3.006 1.00 1.00 H new ATOM 483 N VAL A 30 9.031 -5.946 -4.804 1.00 1.00 N ATOM 484 CA VAL A 30 9.095 -5.287 -6.102 1.00 1.00 C ATOM 485 C VAL A 30 9.984 -4.038 -5.976 1.00 1.00 C ATOM 486 O VAL A 30 9.651 -3.135 -5.193 1.00 1.00 O ATOM 487 CB VAL A 30 7.683 -4.985 -6.661 1.00 1.00 C ATOM 488 CG1 VAL A 30 6.750 -4.165 -5.749 1.00 1.00 C ATOM 489 CG2 VAL A 30 7.755 -4.262 -8.010 1.00 1.00 C ATOM 0 H VAL A 30 8.096 -5.980 -4.398 1.00 1.00 H new ATOM 0 HA VAL A 30 9.549 -5.953 -6.836 1.00 1.00 H new ATOM 0 HB VAL A 30 7.248 -5.980 -6.750 1.00 1.00 H new ATOM 0 HG11 VAL A 30 5.792 -4.018 -6.247 1.00 1.00 H new ATOM 0 HG12 VAL A 30 6.594 -4.701 -4.813 1.00 1.00 H new ATOM 0 HG13 VAL A 30 7.204 -3.196 -5.541 1.00 1.00 H new ATOM 0 HG21 VAL A 30 6.746 -4.066 -8.372 1.00 1.00 H new ATOM 0 HG22 VAL A 30 8.287 -3.318 -7.889 1.00 1.00 H new ATOM 0 HG23 VAL A 30 8.284 -4.887 -8.730 1.00 1.00 H new ATOM 499 N PRO A 31 11.124 -3.963 -6.686 1.00 1.00 N ATOM 500 CA PRO A 31 11.926 -2.757 -6.683 1.00 1.00 C ATOM 501 C PRO A 31 11.098 -1.694 -7.407 1.00 1.00 C ATOM 502 O PRO A 31 10.443 -1.977 -8.419 1.00 1.00 O ATOM 503 CB PRO A 31 13.215 -3.118 -7.420 1.00 1.00 C ATOM 504 CG PRO A 31 12.768 -4.201 -8.394 1.00 1.00 C ATOM 505 CD PRO A 31 11.664 -4.932 -7.631 1.00 1.00 C ATOM 0 HA PRO A 31 12.185 -2.372 -5.697 1.00 1.00 H new ATOM 0 HB2 PRO A 31 13.636 -2.258 -7.940 1.00 1.00 H new ATOM 0 HB3 PRO A 31 13.981 -3.483 -6.736 1.00 1.00 H new ATOM 0 HG2 PRO A 31 12.397 -3.775 -9.326 1.00 1.00 H new ATOM 0 HG3 PRO A 31 13.588 -4.871 -8.654 1.00 1.00 H new ATOM 0 HD2 PRO A 31 10.890 -5.289 -8.310 1.00 1.00 H new ATOM 0 HD3 PRO A 31 12.060 -5.805 -7.112 1.00 1.00 H new ATOM 513 N LEU A 32 11.081 -0.481 -6.864 1.00 1.00 N ATOM 514 CA LEU A 32 10.329 0.607 -7.475 1.00 1.00 C ATOM 515 C LEU A 32 11.198 1.230 -8.566 1.00 1.00 C ATOM 516 O LEU A 32 12.424 1.082 -8.551 1.00 1.00 O ATOM 517 CB LEU A 32 9.974 1.647 -6.400 1.00 1.00 C ATOM 518 CG LEU A 32 8.793 2.564 -6.779 1.00 1.00 C ATOM 519 CD1 LEU A 32 7.427 1.877 -6.646 1.00 1.00 C ATOM 520 CD2 LEU A 32 8.773 3.742 -5.818 1.00 1.00 C ATOM 0 H LEU A 32 11.576 -0.229 -6.008 1.00 1.00 H new ATOM 0 HA LEU A 32 9.401 0.240 -7.914 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.734 1.128 -5.472 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.851 2.264 -6.203 1.00 1.00 H new ATOM 0 HG LEU A 32 8.941 2.852 -7.820 1.00 1.00 H new ATOM 0 HD11 LEU A 32 6.639 2.576 -6.927 1.00 1.00 H new ATOM 0 HD12 LEU A 32 7.392 1.007 -7.302 1.00 1.00 H new ATOM 0 HD13 LEU A 32 7.279 1.559 -5.614 1.00 1.00 H new ATOM 0 HD21 LEU A 32 7.944 4.403 -6.070 1.00 1.00 H new ATOM 0 HD22 LEU A 32 8.650 3.378 -4.798 1.00 1.00 H new ATOM 0 HD23 LEU A 32 9.711 4.291 -5.896 1.00 1.00 H new ATOM 532 N ARG A 33 10.579 1.980 -9.472 1.00 1.00 N ATOM 533 CA ARG A 33 11.308 2.722 -10.493 1.00 1.00 C ATOM 534 C ARG A 33 11.970 3.906 -9.785 1.00 1.00 C ATOM 535 O ARG A 33 11.591 4.269 -8.665 1.00 1.00 O ATOM 536 CB ARG A 33 10.319 3.241 -11.546 1.00 1.00 C ATOM 537 CG ARG A 33 9.530 2.145 -12.286 1.00 1.00 C ATOM 538 CD ARG A 33 8.161 2.701 -12.682 1.00 1.00 C ATOM 539 NE ARG A 33 7.299 1.695 -13.323 1.00 1.00 N ATOM 540 CZ ARG A 33 6.970 1.654 -14.618 1.00 1.00 C ATOM 541 NH1 ARG A 33 7.661 2.352 -15.514 1.00 1.00 N ATOM 542 NH2 ARG A 33 5.948 0.906 -15.013 1.00 1.00 N ATOM 0 H ARG A 33 9.566 2.090 -9.519 1.00 1.00 H new ATOM 0 HA ARG A 33 12.049 2.095 -10.989 1.00 1.00 H new ATOM 0 HB2 ARG A 33 9.612 3.913 -11.060 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.868 3.832 -12.279 1.00 1.00 H new ATOM 0 HG2 ARG A 33 10.076 1.821 -13.172 1.00 1.00 H new ATOM 0 HG3 ARG A 33 9.411 1.270 -11.647 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.661 3.088 -11.794 1.00 1.00 H new ATOM 0 HD3 ARG A 33 8.299 3.541 -13.363 1.00 1.00 H new ATOM 0 HE ARG A 33 6.918 0.962 -12.725 1.00 1.00 H new ATOM 0 HH11 ARG A 33 8.450 2.925 -15.216 1.00 1.00 H new ATOM 0 HH12 ARG A 33 7.402 2.314 -16.500 1.00 1.00 H new ATOM 0 HH21 ARG A 33 5.417 0.366 -14.330 1.00 1.00 H new ATOM 0 HH22 ARG A 33 5.693 0.871 -16.000 1.00 1.00 H new ATOM 556 N GLU A 34 12.919 4.554 -10.451 1.00 1.00 N ATOM 557 CA GLU A 34 13.685 5.619 -9.829 1.00 1.00 C ATOM 558 C GLU A 34 12.898 6.933 -9.914 1.00 1.00 C ATOM 559 O GLU A 34 11.877 7.033 -10.604 1.00 1.00 O ATOM 560 CB GLU A 34 15.078 5.676 -10.484 1.00 1.00 C ATOM 561 CG GLU A 34 16.118 6.533 -9.748 1.00 1.00 C ATOM 562 CD GLU A 34 16.186 6.248 -8.246 1.00 1.00 C ATOM 563 OE1 GLU A 34 16.936 5.344 -7.807 1.00 1.00 O ATOM 564 OE2 GLU A 34 15.455 6.931 -7.499 1.00 1.00 O ATOM 0 H GLU A 34 13.173 4.359 -11.419 1.00 1.00 H new ATOM 0 HA GLU A 34 13.844 5.432 -8.767 1.00 1.00 H new ATOM 0 HB2 GLU A 34 15.463 4.660 -10.568 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.968 6.060 -11.498 1.00 1.00 H new ATOM 0 HG2 GLU A 34 17.100 6.358 -10.188 1.00 1.00 H new ATOM 0 HG3 GLU A 34 15.883 7.587 -9.900 1.00 1.00 H new ATOM 571 N GLY A 35 13.337 7.928 -9.144 1.00 1.00 N ATOM 572 CA GLY A 35 12.669 9.211 -8.992 1.00 1.00 C ATOM 573 C GLY A 35 11.731 9.187 -7.783 1.00 1.00 C ATOM 574 O GLY A 35 11.068 10.190 -7.510 1.00 1.00 O ATOM 0 H GLY A 35 14.193 7.857 -8.594 1.00 1.00 H new ATOM 0 HA2 GLY A 35 13.410 10.001 -8.869 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.103 9.442 -9.894 1.00 1.00 H new ATOM 578 N TYR A 36 11.661 8.058 -7.070 1.00 1.00 N ATOM 579 CA TYR A 36 10.824 7.792 -5.918 1.00 1.00 C ATOM 580 C TYR A 36 11.598 6.896 -4.944 1.00 1.00 C ATOM 581 O TYR A 36 12.671 6.387 -5.283 1.00 1.00 O ATOM 582 CB TYR A 36 9.556 7.090 -6.402 1.00 1.00 C ATOM 583 CG TYR A 36 8.688 7.906 -7.332 1.00 1.00 C ATOM 584 CD1 TYR A 36 7.736 8.806 -6.817 1.00 1.00 C ATOM 585 CD2 TYR A 36 8.844 7.764 -8.722 1.00 1.00 C ATOM 586 CE1 TYR A 36 6.910 9.534 -7.690 1.00 1.00 C ATOM 587 CE2 TYR A 36 8.037 8.504 -9.598 1.00 1.00 C ATOM 588 CZ TYR A 36 7.055 9.377 -9.087 1.00 1.00 C ATOM 589 OH TYR A 36 6.276 10.060 -9.965 1.00 1.00 O ATOM 0 H TYR A 36 12.236 7.251 -7.310 1.00 1.00 H new ATOM 0 HA TYR A 36 10.553 8.715 -5.406 1.00 1.00 H new ATOM 0 HB2 TYR A 36 9.841 6.169 -6.910 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.963 6.805 -5.533 1.00 1.00 H new ATOM 0 HD1 TYR A 36 7.640 8.937 -5.749 1.00 1.00 H new ATOM 0 HD2 TYR A 36 9.586 7.085 -9.115 1.00 1.00 H new ATOM 0 HE1 TYR A 36 6.167 10.211 -7.295 1.00 1.00 H new ATOM 0 HE2 TYR A 36 8.168 8.405 -10.665 1.00 1.00 H new ATOM 0 HH TYR A 36 6.527 9.818 -10.881 1.00 1.00 H new ATOM 599 N GLY A 37 11.063 6.684 -3.740 1.00 1.00 N ATOM 600 CA GLY A 37 11.730 5.944 -2.671 1.00 1.00 C ATOM 601 C GLY A 37 11.101 4.581 -2.404 1.00 1.00 C ATOM 602 O GLY A 37 10.178 4.161 -3.096 1.00 1.00 O ATOM 0 H GLY A 37 10.139 7.028 -3.478 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.780 5.808 -2.932 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.703 6.536 -1.756 1.00 1.00 H new ATOM 606 N ARG A 38 11.560 3.876 -1.371 1.00 1.00 N ATOM 607 CA ARG A 38 10.990 2.608 -0.910 1.00 1.00 C ATOM 608 C ARG A 38 10.903 2.702 0.606 1.00 1.00 C ATOM 609 O ARG A 38 11.904 3.026 1.241 1.00 1.00 O ATOM 610 CB ARG A 38 11.851 1.403 -1.342 1.00 1.00 C ATOM 611 CG ARG A 38 11.650 0.930 -2.798 1.00 1.00 C ATOM 612 CD ARG A 38 10.609 -0.193 -2.984 1.00 1.00 C ATOM 613 NE ARG A 38 9.232 0.261 -2.728 1.00 1.00 N ATOM 614 CZ ARG A 38 8.130 0.015 -3.446 1.00 1.00 C ATOM 615 NH1 ARG A 38 8.114 -0.829 -4.474 1.00 1.00 N ATOM 616 NH2 ARG A 38 7.006 0.650 -3.138 1.00 1.00 N ATOM 0 H ARG A 38 12.360 4.178 -0.816 1.00 1.00 H new ATOM 0 HA ARG A 38 10.007 2.446 -1.353 1.00 1.00 H new ATOM 0 HB2 ARG A 38 12.901 1.661 -1.204 1.00 1.00 H new ATOM 0 HB3 ARG A 38 11.637 0.568 -0.674 1.00 1.00 H new ATOM 0 HG2 ARG A 38 11.351 1.786 -3.403 1.00 1.00 H new ATOM 0 HG3 ARG A 38 12.608 0.584 -3.187 1.00 1.00 H new ATOM 0 HD2 ARG A 38 10.676 -0.581 -4.001 1.00 1.00 H new ATOM 0 HD3 ARG A 38 10.846 -1.018 -2.312 1.00 1.00 H new ATOM 0 HE ARG A 38 9.101 0.837 -1.896 1.00 1.00 H new ATOM 0 HH11 ARG A 38 8.966 -1.320 -4.744 1.00 1.00 H new ATOM 0 HH12 ARG A 38 7.250 -0.985 -4.992 1.00 1.00 H new ATOM 0 HH21 ARG A 38 6.991 1.314 -2.364 1.00 1.00 H new ATOM 0 HH22 ARG A 38 6.157 0.474 -3.675 1.00 1.00 H new ATOM 630 N ILE A 39 9.727 2.470 1.179 1.00 1.00 N ATOM 631 CA ILE A 39 9.546 2.414 2.627 1.00 1.00 C ATOM 632 C ILE A 39 9.951 0.961 2.931 1.00 1.00 C ATOM 633 O ILE A 39 9.349 0.053 2.345 1.00 1.00 O ATOM 634 CB ILE A 39 8.081 2.731 3.019 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.591 4.084 2.443 1.00 1.00 C ATOM 636 CG2 ILE A 39 7.966 2.756 4.552 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.091 4.346 2.637 1.00 1.00 C ATOM 0 H ILE A 39 8.868 2.315 0.651 1.00 1.00 H new ATOM 0 HA ILE A 39 10.127 3.144 3.190 1.00 1.00 H new ATOM 0 HB ILE A 39 7.449 1.951 2.595 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.153 4.891 2.914 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.819 4.116 1.378 1.00 1.00 H new ATOM 0 HG21 ILE A 39 6.937 2.979 4.836 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.251 1.784 4.954 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.628 3.523 4.954 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.832 5.313 2.206 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.518 3.562 2.142 1.00 1.00 H new ATOM 0 HD13 ILE A 39 5.857 4.349 3.702 1.00 1.00 H new ATOM 649 N PRO A 40 10.996 0.695 3.733 1.00 1.00 N ATOM 650 CA PRO A 40 11.478 -0.658 3.944 1.00 1.00 C ATOM 651 C PRO A 40 10.604 -1.456 4.908 1.00 1.00 C ATOM 652 O PRO A 40 9.838 -0.902 5.695 1.00 1.00 O ATOM 653 CB PRO A 40 12.912 -0.491 4.440 1.00 1.00 C ATOM 654 CG PRO A 40 12.781 0.755 5.301 1.00 1.00 C ATOM 655 CD PRO A 40 11.806 1.624 4.499 1.00 1.00 C ATOM 0 HA PRO A 40 11.439 -1.245 3.026 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.253 -1.353 5.013 1.00 1.00 H new ATOM 0 HB3 PRO A 40 13.618 -0.353 3.621 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.393 0.522 6.293 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.741 1.251 5.443 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.187 2.231 5.160 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.341 2.311 3.843 1.00 1.00 H new ATOM 663 N ARG A 41 10.772 -2.780 4.895 1.00 1.00 N ATOM 664 CA ARG A 41 9.945 -3.696 5.673 1.00 1.00 C ATOM 665 C ARG A 41 9.965 -3.365 7.166 1.00 1.00 C ATOM 666 O ARG A 41 8.914 -3.378 7.791 1.00 1.00 O ATOM 667 CB ARG A 41 10.351 -5.153 5.388 1.00 1.00 C ATOM 668 CG ARG A 41 9.263 -6.147 5.838 1.00 1.00 C ATOM 669 CD ARG A 41 9.798 -7.379 6.579 1.00 1.00 C ATOM 670 NE ARG A 41 10.524 -7.023 7.810 1.00 1.00 N ATOM 671 CZ ARG A 41 10.286 -7.459 9.051 1.00 1.00 C ATOM 672 NH1 ARG A 41 9.352 -8.362 9.326 1.00 1.00 N ATOM 673 NH2 ARG A 41 11.020 -6.970 10.037 1.00 1.00 N ATOM 0 H ARG A 41 11.490 -3.246 4.341 1.00 1.00 H new ATOM 0 HA ARG A 41 8.909 -3.570 5.357 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.538 -5.277 4.321 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.285 -5.378 5.903 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.558 -5.626 6.486 1.00 1.00 H new ATOM 0 HG3 ARG A 41 8.706 -6.479 4.962 1.00 1.00 H new ATOM 0 HD2 ARG A 41 8.967 -8.039 6.829 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.461 -7.937 5.918 1.00 1.00 H new ATOM 0 HE ARG A 41 11.298 -6.368 7.703 1.00 1.00 H new ATOM 0 HH11 ARG A 41 8.782 -8.751 8.575 1.00 1.00 H new ATOM 0 HH12 ARG A 41 9.204 -8.666 10.288 1.00 1.00 H new ATOM 0 HH21 ARG A 41 11.744 -6.279 9.840 1.00 1.00 H new ATOM 0 HH22 ARG A 41 10.862 -7.284 10.995 1.00 1.00 H new ATOM 687 N GLY A 42 11.123 -3.044 7.746 1.00 1.00 N ATOM 688 CA GLY A 42 11.222 -2.717 9.165 1.00 1.00 C ATOM 689 C GLY A 42 10.329 -1.529 9.521 1.00 1.00 C ATOM 690 O GLY A 42 9.560 -1.601 10.487 1.00 1.00 O ATOM 0 H GLY A 42 12.012 -3.004 7.247 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.935 -3.583 9.762 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.257 -2.486 9.416 1.00 1.00 H new ATOM 694 N ALA A 43 10.394 -0.473 8.700 1.00 1.00 N ATOM 695 CA ALA A 43 9.557 0.705 8.850 1.00 1.00 C ATOM 696 C ALA A 43 8.098 0.266 8.816 1.00 1.00 C ATOM 697 O ALA A 43 7.333 0.553 9.733 1.00 1.00 O ATOM 698 CB ALA A 43 9.866 1.730 7.753 1.00 1.00 C ATOM 0 H ALA A 43 11.037 -0.420 7.910 1.00 1.00 H new ATOM 0 HA ALA A 43 9.761 1.193 9.803 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.229 2.605 7.883 1.00 1.00 H new ATOM 0 HB2 ALA A 43 10.912 2.030 7.819 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.677 1.285 6.776 1.00 1.00 H new ATOM 704 N LEU A 44 7.744 -0.507 7.792 1.00 1.00 N ATOM 705 CA LEU A 44 6.394 -0.983 7.561 1.00 1.00 C ATOM 706 C LEU A 44 5.856 -1.826 8.726 1.00 1.00 C ATOM 707 O LEU A 44 4.647 -1.800 8.951 1.00 1.00 O ATOM 708 CB LEU A 44 6.344 -1.695 6.206 1.00 1.00 C ATOM 709 CG LEU A 44 6.580 -0.749 5.013 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.792 -1.571 3.747 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.411 0.216 4.789 1.00 1.00 C ATOM 0 H LEU A 44 8.409 -0.824 7.086 1.00 1.00 H new ATOM 0 HA LEU A 44 5.714 -0.132 7.520 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.096 -2.484 6.190 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.373 -2.177 6.092 1.00 1.00 H new ATOM 0 HG LEU A 44 7.464 -0.154 5.243 1.00 1.00 H new ATOM 0 HD11 LEU A 44 6.959 -0.902 2.903 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.660 -2.218 3.874 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.909 -2.181 3.557 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.629 0.860 3.937 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.502 -0.353 4.591 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.269 0.828 5.679 1.00 1.00 H new ATOM 723 N LEU A 45 6.698 -2.571 9.460 1.00 1.00 N ATOM 724 CA LEU A 45 6.267 -3.300 10.662 1.00 1.00 C ATOM 725 C LEU A 45 6.123 -2.363 11.855 1.00 1.00 C ATOM 726 O LEU A 45 5.260 -2.622 12.698 1.00 1.00 O ATOM 727 CB LEU A 45 7.129 -4.520 11.045 1.00 1.00 C ATOM 728 CG LEU A 45 6.854 -5.844 10.304 1.00 1.00 C ATOM 729 CD1 LEU A 45 5.437 -6.358 10.582 1.00 1.00 C ATOM 730 CD2 LEU A 45 7.090 -5.791 8.800 1.00 1.00 C ATOM 0 H LEU A 45 7.687 -2.684 9.239 1.00 1.00 H new ATOM 0 HA LEU A 45 5.295 -3.710 10.388 1.00 1.00 H new ATOM 0 HB2 LEU A 45 8.175 -4.256 10.887 1.00 1.00 H new ATOM 0 HB3 LEU A 45 7.003 -4.699 12.113 1.00 1.00 H new ATOM 0 HG LEU A 45 7.590 -6.539 10.709 1.00 1.00 H new ATOM 0 HD11 LEU A 45 5.277 -7.293 10.044 1.00 1.00 H new ATOM 0 HD12 LEU A 45 5.315 -6.529 11.652 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.710 -5.618 10.248 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.872 -6.765 8.363 1.00 1.00 H new ATOM 0 HD22 LEU A 45 6.437 -5.040 8.356 1.00 1.00 H new ATOM 0 HD23 LEU A 45 8.130 -5.530 8.604 1.00 1.00 H new ATOM 742 N SER A 46 6.962 -1.331 12.004 1.00 1.00 N ATOM 743 CA SER A 46 6.750 -0.363 13.074 1.00 1.00 C ATOM 744 C SER A 46 5.426 0.388 12.851 1.00 1.00 C ATOM 745 O SER A 46 4.669 0.613 13.796 1.00 1.00 O ATOM 746 CB SER A 46 7.986 0.525 13.241 1.00 1.00 C ATOM 747 OG SER A 46 8.622 0.895 12.033 1.00 1.00 O ATOM 0 H SER A 46 7.773 -1.151 11.412 1.00 1.00 H new ATOM 0 HA SER A 46 6.635 -0.867 14.034 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.695 1.431 13.774 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.708 0.003 13.869 1.00 1.00 H new ATOM 0 HG SER A 46 7.961 0.922 11.310 1.00 1.00 H new ATOM 753 N MET A 47 5.118 0.696 11.591 1.00 1.00 N ATOM 754 CA MET A 47 3.918 1.375 11.128 1.00 1.00 C ATOM 755 C MET A 47 2.678 0.465 11.210 1.00 1.00 C ATOM 756 O MET A 47 2.776 -0.756 11.343 1.00 1.00 O ATOM 757 CB MET A 47 4.166 1.807 9.671 1.00 1.00 C ATOM 758 CG MET A 47 5.294 2.844 9.514 1.00 1.00 C ATOM 759 SD MET A 47 6.002 2.944 7.844 1.00 1.00 S ATOM 760 CE MET A 47 4.511 3.311 6.897 1.00 1.00 C ATOM 0 H MET A 47 5.744 0.461 10.821 1.00 1.00 H new ATOM 0 HA MET A 47 3.717 2.236 11.765 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.410 0.926 9.077 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.244 2.222 9.263 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.909 3.825 9.790 1.00 1.00 H new ATOM 0 HG3 MET A 47 6.091 2.604 10.218 1.00 1.00 H new ATOM 0 HE1 MET A 47 4.782 3.546 5.868 1.00 1.00 H new ATOM 0 HE2 MET A 47 3.850 2.445 6.909 1.00 1.00 H new ATOM 0 HE3 MET A 47 3.999 4.165 7.341 1.00 1.00 H new ATOM 770 N ASP A 48 1.495 1.066 11.094 1.00 1.00 N ATOM 771 CA ASP A 48 0.155 0.484 11.030 1.00 1.00 C ATOM 772 C ASP A 48 -0.558 1.083 9.822 1.00 1.00 C ATOM 773 O ASP A 48 0.080 1.527 8.863 1.00 1.00 O ATOM 774 CB ASP A 48 -0.639 0.717 12.334 1.00 1.00 C ATOM 775 CG ASP A 48 -0.985 2.175 12.675 1.00 1.00 C ATOM 776 OD1 ASP A 48 -0.898 3.049 11.792 1.00 1.00 O ATOM 777 OD2 ASP A 48 -1.385 2.442 13.832 1.00 1.00 O ATOM 0 H ASP A 48 1.447 2.083 11.036 1.00 1.00 H new ATOM 0 HA ASP A 48 0.230 -0.598 10.920 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.569 0.151 12.273 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.065 0.300 13.162 1.00 1.00 H new ATOM 782 N ALA A 49 -1.882 1.002 9.811 1.00 1.00 N ATOM 783 CA ALA A 49 -2.711 1.538 8.736 1.00 1.00 C ATOM 784 C ALA A 49 -2.668 3.064 8.643 1.00 1.00 C ATOM 785 O ALA A 49 -2.621 3.605 7.537 1.00 1.00 O ATOM 786 CB ALA A 49 -4.163 1.116 8.989 1.00 1.00 C ATOM 0 H ALA A 49 -2.418 0.557 10.556 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.320 1.142 7.799 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.799 1.507 8.195 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.228 0.028 9.003 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.495 1.512 9.949 1.00 1.00 H new ATOM 792 N LEU A 50 -2.736 3.759 9.777 1.00 1.00 N ATOM 793 CA LEU A 50 -2.712 5.213 9.840 1.00 1.00 C ATOM 794 C LEU A 50 -1.341 5.695 9.394 1.00 1.00 C ATOM 795 O LEU A 50 -1.242 6.504 8.468 1.00 1.00 O ATOM 796 CB LEU A 50 -3.019 5.659 11.278 1.00 1.00 C ATOM 797 CG LEU A 50 -2.772 7.155 11.534 1.00 1.00 C ATOM 798 CD1 LEU A 50 -3.636 8.048 10.642 1.00 1.00 C ATOM 799 CD2 LEU A 50 -3.076 7.446 13.001 1.00 1.00 C ATOM 0 H LEU A 50 -2.811 3.316 10.693 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.466 5.644 9.181 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.060 5.429 11.505 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.407 5.077 11.967 1.00 1.00 H new ATOM 0 HG LEU A 50 -1.732 7.378 11.296 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -3.425 9.095 10.861 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -3.411 7.844 9.595 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -4.689 7.843 10.833 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.907 8.503 13.205 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -4.116 7.197 13.213 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -2.423 6.846 13.634 1.00 1.00 H new ATOM 811 N ASP A 51 -0.301 5.160 10.037 1.00 1.00 N ATOM 812 CA ASP A 51 1.087 5.478 9.747 1.00 1.00 C ATOM 813 C ASP A 51 1.343 5.238 8.275 1.00 1.00 C ATOM 814 O ASP A 51 1.918 6.108 7.629 1.00 1.00 O ATOM 815 CB ASP A 51 2.074 4.592 10.511 1.00 1.00 C ATOM 816 CG ASP A 51 2.362 4.974 11.952 1.00 1.00 C ATOM 817 OD1 ASP A 51 2.748 6.136 12.204 1.00 1.00 O ATOM 818 OD2 ASP A 51 2.350 4.062 12.811 1.00 1.00 O ATOM 0 H ASP A 51 -0.409 4.480 10.789 1.00 1.00 H new ATOM 0 HA ASP A 51 1.240 6.515 10.044 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.693 3.571 10.500 1.00 1.00 H new ATOM 0 HB3 ASP A 51 3.018 4.586 9.966 1.00 1.00 H new ATOM 823 N LEU A 52 0.938 4.077 7.737 1.00 1.00 N ATOM 824 CA LEU A 52 1.123 3.804 6.323 1.00 1.00 C ATOM 825 C LEU A 52 0.388 4.830 5.502 1.00 1.00 C ATOM 826 O LEU A 52 1.035 5.412 4.653 1.00 1.00 O ATOM 827 CB LEU A 52 0.695 2.385 5.926 1.00 1.00 C ATOM 828 CG LEU A 52 0.731 2.158 4.387 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.720 1.069 3.985 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.664 1.806 3.872 1.00 1.00 C ATOM 0 H LEU A 52 0.487 3.327 8.261 1.00 1.00 H new ATOM 0 HA LEU A 52 2.192 3.870 6.120 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.351 1.662 6.412 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.314 2.197 6.294 1.00 1.00 H new ATOM 0 HG LEU A 52 1.067 3.091 3.933 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.708 0.948 2.902 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.722 1.351 4.308 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.438 0.128 4.458 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.625 1.650 2.794 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.012 0.895 4.358 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.351 2.622 4.096 1.00 1.00 H new ATOM 842 N THR A 53 -0.905 5.056 5.699 1.00 1.00 N ATOM 843 CA THR A 53 -1.646 5.966 4.839 1.00 1.00 C ATOM 844 C THR A 53 -0.941 7.316 4.742 1.00 1.00 C ATOM 845 O THR A 53 -0.680 7.791 3.633 1.00 1.00 O ATOM 846 CB THR A 53 -3.083 6.101 5.357 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.692 4.830 5.377 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.913 7.032 4.474 1.00 1.00 C ATOM 0 H THR A 53 -1.457 4.625 6.441 1.00 1.00 H new ATOM 0 HA THR A 53 -1.686 5.560 3.828 1.00 1.00 H new ATOM 0 HB THR A 53 -3.041 6.525 6.360 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.451 4.365 6.205 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.925 7.104 4.871 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.458 8.022 4.460 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.949 6.635 3.459 1.00 1.00 H new ATOM 856 N ASP A 54 -0.600 7.910 5.884 1.00 1.00 N ATOM 857 CA ASP A 54 0.030 9.218 5.894 1.00 1.00 C ATOM 858 C ASP A 54 1.447 9.136 5.346 1.00 1.00 C ATOM 859 O ASP A 54 1.815 9.977 4.525 1.00 1.00 O ATOM 860 CB ASP A 54 -0.015 9.834 7.295 1.00 1.00 C ATOM 861 CG ASP A 54 -1.409 10.371 7.624 1.00 1.00 C ATOM 862 OD1 ASP A 54 -2.100 10.920 6.730 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.828 10.288 8.797 1.00 1.00 O ATOM 0 H ASP A 54 -0.751 7.504 6.808 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.532 9.881 5.236 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.271 9.085 8.033 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.713 10.642 7.362 1.00 1.00 H new ATOM 868 N LYS A 55 2.235 8.122 5.730 1.00 1.00 N ATOM 869 CA LYS A 55 3.593 7.967 5.219 1.00 1.00 C ATOM 870 C LYS A 55 3.553 7.812 3.715 1.00 1.00 C ATOM 871 O LYS A 55 4.174 8.590 3.019 1.00 1.00 O ATOM 872 CB LYS A 55 4.366 6.782 5.840 1.00 1.00 C ATOM 873 CG LYS A 55 5.866 7.027 5.600 1.00 1.00 C ATOM 874 CD LYS A 55 6.803 6.120 6.399 1.00 1.00 C ATOM 875 CE LYS A 55 8.224 6.674 6.245 1.00 1.00 C ATOM 876 NZ LYS A 55 9.206 5.962 7.080 1.00 1.00 N ATOM 0 H LYS A 55 1.950 7.400 6.392 1.00 1.00 H new ATOM 0 HA LYS A 55 4.133 8.869 5.505 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.157 6.705 6.907 1.00 1.00 H new ATOM 0 HB3 LYS A 55 4.054 5.841 5.386 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.075 6.896 4.538 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.093 8.065 5.844 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.512 6.098 7.449 1.00 1.00 H new ATOM 0 HD3 LYS A 55 6.749 5.095 6.032 1.00 1.00 H new ATOM 0 HE2 LYS A 55 8.525 6.605 5.200 1.00 1.00 H new ATOM 0 HE3 LYS A 55 8.228 7.732 6.509 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 10.149 6.377 6.937 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 8.938 6.048 8.081 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 9.226 4.957 6.812 1.00 1.00 H new ATOM 890 N LEU A 56 2.844 6.815 3.213 1.00 1.00 N ATOM 891 CA LEU A 56 2.739 6.414 1.824 1.00 1.00 C ATOM 892 C LEU A 56 2.326 7.634 0.991 1.00 1.00 C ATOM 893 O LEU A 56 3.011 7.969 0.028 1.00 1.00 O ATOM 894 CB LEU A 56 1.775 5.208 1.824 1.00 1.00 C ATOM 895 CG LEU A 56 1.546 4.343 0.586 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.948 5.158 -0.540 1.00 1.00 C ATOM 897 CD2 LEU A 56 2.766 3.574 0.074 1.00 1.00 C ATOM 0 H LEU A 56 2.281 6.217 3.818 1.00 1.00 H new ATOM 0 HA LEU A 56 3.667 6.085 1.355 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.113 4.538 2.615 1.00 1.00 H new ATOM 0 HB3 LEU A 56 0.799 5.589 2.124 1.00 1.00 H new ATOM 0 HG LEU A 56 0.846 3.579 0.926 1.00 1.00 H new ATOM 0 HD11 LEU A 56 0.795 4.519 -1.410 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.008 5.572 -0.221 1.00 1.00 H new ATOM 0 HD13 LEU A 56 1.626 5.970 -0.801 1.00 1.00 H new ATOM 0 HD21 LEU A 56 2.488 2.995 -0.806 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.556 4.278 -0.189 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.125 2.901 0.853 1.00 1.00 H new ATOM 909 N VAL A 57 1.279 8.364 1.372 1.00 1.00 N ATOM 910 CA VAL A 57 0.867 9.570 0.654 1.00 1.00 C ATOM 911 C VAL A 57 1.939 10.672 0.716 1.00 1.00 C ATOM 912 O VAL A 57 2.151 11.362 -0.284 1.00 1.00 O ATOM 913 CB VAL A 57 -0.509 10.002 1.211 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.908 11.442 0.864 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.586 9.032 0.692 1.00 1.00 C ATOM 0 H VAL A 57 0.697 8.140 2.179 1.00 1.00 H new ATOM 0 HA VAL A 57 0.761 9.365 -0.411 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.427 9.968 2.297 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.885 11.662 1.293 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.169 12.132 1.271 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -0.953 11.556 -0.219 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.560 9.329 1.080 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.606 9.059 -0.397 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.356 8.020 1.026 1.00 1.00 H new ATOM 925 N SER A 58 2.597 10.885 1.855 1.00 1.00 N ATOM 926 CA SER A 58 3.572 11.957 2.046 1.00 1.00 C ATOM 927 C SER A 58 4.885 11.654 1.304 1.00 1.00 C ATOM 928 O SER A 58 5.416 12.502 0.588 1.00 1.00 O ATOM 929 CB SER A 58 3.779 12.102 3.560 1.00 1.00 C ATOM 930 OG SER A 58 4.450 13.291 3.915 1.00 1.00 O ATOM 0 H SER A 58 2.465 10.307 2.685 1.00 1.00 H new ATOM 0 HA SER A 58 3.211 12.896 1.627 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.809 12.077 4.057 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.348 11.247 3.926 1.00 1.00 H new ATOM 0 HG SER A 58 4.552 13.331 4.889 1.00 1.00 H new ATOM 936 N PHE A 59 5.396 10.440 1.471 1.00 1.00 N ATOM 937 CA PHE A 59 6.654 9.887 0.989 1.00 1.00 C ATOM 938 C PHE A 59 6.628 9.655 -0.522 1.00 1.00 C ATOM 939 O PHE A 59 7.696 9.543 -1.129 1.00 1.00 O ATOM 940 CB PHE A 59 6.861 8.567 1.754 1.00 1.00 C ATOM 941 CG PHE A 59 8.206 7.873 1.691 1.00 1.00 C ATOM 942 CD1 PHE A 59 8.530 7.057 0.594 1.00 1.00 C ATOM 943 CD2 PHE A 59 9.061 7.907 2.811 1.00 1.00 C ATOM 944 CE1 PHE A 59 9.702 6.285 0.614 1.00 1.00 C ATOM 945 CE2 PHE A 59 10.225 7.117 2.837 1.00 1.00 C ATOM 946 CZ PHE A 59 10.552 6.309 1.735 1.00 1.00 C ATOM 0 H PHE A 59 4.880 9.743 2.008 1.00 1.00 H new ATOM 0 HA PHE A 59 7.476 10.580 1.166 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.642 8.760 2.804 1.00 1.00 H new ATOM 0 HB3 PHE A 59 6.112 7.861 1.396 1.00 1.00 H new ATOM 0 HD1 PHE A 59 7.877 7.024 -0.265 1.00 1.00 H new ATOM 0 HD2 PHE A 59 8.822 8.541 3.652 1.00 1.00 H new ATOM 0 HE1 PHE A 59 9.953 5.669 -0.237 1.00 1.00 H new ATOM 0 HE2 PHE A 59 10.868 7.132 3.705 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.450 5.710 1.748 1.00 1.00 H new ATOM 956 N TYR A 60 5.446 9.582 -1.144 1.00 1.00 N ATOM 957 CA TYR A 60 5.310 9.465 -2.588 1.00 1.00 C ATOM 958 C TYR A 60 4.608 10.717 -3.097 1.00 1.00 C ATOM 959 O TYR A 60 5.268 11.747 -3.214 1.00 1.00 O ATOM 960 CB TYR A 60 4.599 8.141 -2.919 1.00 1.00 C ATOM 961 CG TYR A 60 5.471 6.934 -2.641 1.00 1.00 C ATOM 962 CD1 TYR A 60 6.551 6.659 -3.494 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.254 6.120 -1.514 1.00 1.00 C ATOM 964 CE1 TYR A 60 7.385 5.565 -3.237 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.080 5.013 -1.256 1.00 1.00 C ATOM 966 CZ TYR A 60 7.134 4.714 -2.138 1.00 1.00 C ATOM 967 OH TYR A 60 7.890 3.602 -1.941 1.00 1.00 O ATOM 0 H TYR A 60 4.554 9.603 -0.650 1.00 1.00 H new ATOM 0 HA TYR A 60 6.270 9.416 -3.101 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.683 8.067 -2.333 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.307 8.141 -3.969 1.00 1.00 H new ATOM 0 HD1 TYR A 60 6.739 7.292 -4.349 1.00 1.00 H new ATOM 0 HD2 TYR A 60 4.443 6.349 -0.839 1.00 1.00 H new ATOM 0 HE1 TYR A 60 8.227 5.370 -3.884 1.00 1.00 H new ATOM 0 HE2 TYR A 60 5.907 4.396 -0.387 1.00 1.00 H new ATOM 0 HH TYR A 60 8.659 3.617 -2.548 1.00 1.00 H new ATOM 977 N LEU A 61 3.292 10.661 -3.298 1.00 1.00 N ATOM 978 CA LEU A 61 2.333 11.692 -3.682 1.00 1.00 C ATOM 979 C LEU A 61 0.974 11.076 -3.333 1.00 1.00 C ATOM 980 O LEU A 61 0.876 9.882 -3.043 1.00 1.00 O ATOM 981 CB LEU A 61 2.313 12.056 -5.185 1.00 1.00 C ATOM 982 CG LEU A 61 3.341 13.018 -5.810 1.00 1.00 C ATOM 983 CD1 LEU A 61 3.673 14.207 -4.913 1.00 1.00 C ATOM 984 CD2 LEU A 61 4.586 12.316 -6.351 1.00 1.00 C ATOM 0 H LEU A 61 2.812 9.769 -3.178 1.00 1.00 H new ATOM 0 HA LEU A 61 2.591 12.620 -3.171 1.00 1.00 H new ATOM 0 HB2 LEU A 61 2.386 11.118 -5.736 1.00 1.00 H new ATOM 0 HB3 LEU A 61 1.327 12.472 -5.394 1.00 1.00 H new ATOM 0 HG LEU A 61 2.842 13.435 -6.685 1.00 1.00 H new ATOM 0 HD11 LEU A 61 4.402 14.846 -5.411 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.766 14.778 -4.715 1.00 1.00 H new ATOM 0 HD13 LEU A 61 4.088 13.848 -3.971 1.00 1.00 H new ATOM 0 HD21 LEU A 61 5.265 13.055 -6.776 1.00 1.00 H new ATOM 0 HD22 LEU A 61 5.087 11.787 -5.540 1.00 1.00 H new ATOM 0 HD23 LEU A 61 4.295 11.604 -7.124 1.00 1.00 H new ATOM 996 N GLU A 62 -0.093 11.863 -3.418 1.00 1.00 N ATOM 997 CA GLU A 62 -1.426 11.428 -3.032 1.00 1.00 C ATOM 998 C GLU A 62 -1.955 10.380 -4.019 1.00 1.00 C ATOM 999 O GLU A 62 -2.169 9.230 -3.633 1.00 1.00 O ATOM 1000 CB GLU A 62 -2.347 12.648 -2.858 1.00 1.00 C ATOM 1001 CG GLU A 62 -1.638 13.846 -2.188 1.00 1.00 C ATOM 1002 CD GLU A 62 -2.635 14.843 -1.622 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -3.393 15.468 -2.392 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -2.831 14.868 -0.389 1.00 1.00 O ATOM 0 H GLU A 62 -0.055 12.824 -3.758 1.00 1.00 H new ATOM 0 HA GLU A 62 -1.393 10.930 -2.063 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -2.724 12.955 -3.834 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -3.211 12.362 -2.258 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -0.990 13.485 -1.389 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -0.998 14.344 -2.916 1.00 1.00 H new ATOM 1011 N THR A 63 -2.122 10.734 -5.296 1.00 1.00 N ATOM 1012 CA THR A 63 -2.679 9.817 -6.291 1.00 1.00 C ATOM 1013 C THR A 63 -1.701 8.660 -6.563 1.00 1.00 C ATOM 1014 O THR A 63 -2.121 7.510 -6.731 1.00 1.00 O ATOM 1015 CB THR A 63 -3.010 10.592 -7.578 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.543 11.870 -7.269 1.00 1.00 O ATOM 1017 CG2 THR A 63 -4.067 9.834 -8.381 1.00 1.00 C ATOM 0 H THR A 63 -1.878 11.653 -5.665 1.00 1.00 H new ATOM 0 HA THR A 63 -3.601 9.381 -5.907 1.00 1.00 H new ATOM 0 HB THR A 63 -2.088 10.699 -8.150 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.746 12.349 -8.099 1.00 1.00 H new ATOM 0 HG21 THR A 63 -4.298 10.387 -9.291 1.00 1.00 H new ATOM 0 HG22 THR A 63 -3.686 8.847 -8.643 1.00 1.00 H new ATOM 0 HG23 THR A 63 -4.971 9.727 -7.782 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.390 8.948 -6.551 1.00 1.00 N ATOM 1026 CA TYR A 64 0.650 7.929 -6.681 1.00 1.00 C ATOM 1027 C TYR A 64 0.535 6.946 -5.518 1.00 1.00 C ATOM 1028 O TYR A 64 0.818 5.766 -5.685 1.00 1.00 O ATOM 1029 CB TYR A 64 2.046 8.573 -6.683 1.00 1.00 C ATOM 1030 CG TYR A 64 3.207 7.663 -7.065 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.692 6.691 -6.164 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.844 7.820 -8.311 1.00 1.00 C ATOM 1033 CE1 TYR A 64 4.789 5.880 -6.500 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.945 7.015 -8.655 1.00 1.00 C ATOM 1035 CZ TYR A 64 5.425 6.043 -7.750 1.00 1.00 C ATOM 1036 OH TYR A 64 6.471 5.247 -8.097 1.00 1.00 O ATOM 0 H TYR A 64 -0.027 9.896 -6.451 1.00 1.00 H new ATOM 0 HA TYR A 64 0.515 7.403 -7.626 1.00 1.00 H new ATOM 0 HB2 TYR A 64 2.032 9.418 -7.371 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.239 8.975 -5.688 1.00 1.00 H new ATOM 0 HD1 TYR A 64 3.214 6.569 -5.203 1.00 1.00 H new ATOM 0 HD2 TYR A 64 3.485 8.563 -9.007 1.00 1.00 H new ATOM 0 HE1 TYR A 64 5.145 5.134 -5.804 1.00 1.00 H new ATOM 0 HE2 TYR A 64 5.425 7.141 -9.614 1.00 1.00 H new ATOM 0 HH TYR A 64 7.270 5.798 -8.235 1.00 1.00 H new ATOM 1046 N GLY A 65 0.112 7.402 -4.338 1.00 1.00 N ATOM 1047 CA GLY A 65 -0.030 6.543 -3.186 1.00 1.00 C ATOM 1048 C GLY A 65 -1.150 5.521 -3.400 1.00 1.00 C ATOM 1049 O GLY A 65 -0.983 4.340 -3.090 1.00 1.00 O ATOM 0 H GLY A 65 -0.138 8.376 -4.165 1.00 1.00 H new ATOM 0 HA2 GLY A 65 0.910 6.024 -2.996 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.245 7.145 -2.303 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.285 5.945 -3.964 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.366 5.021 -4.298 1.00 1.00 C ATOM 1055 C ALA A 66 -2.908 4.029 -5.366 1.00 1.00 C ATOM 1056 O ALA A 66 -3.240 2.847 -5.270 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.605 5.797 -4.740 1.00 1.00 C ATOM 0 H ALA A 66 -2.476 6.919 -4.197 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.633 4.447 -3.411 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.404 5.097 -4.986 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.932 6.451 -3.932 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.365 6.397 -5.618 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.120 4.499 -6.340 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.521 3.646 -7.364 1.00 1.00 C ATOM 1065 C GLU A 67 -0.673 2.590 -6.679 1.00 1.00 C ATOM 1066 O GLU A 67 -0.930 1.408 -6.870 1.00 1.00 O ATOM 1067 CB GLU A 67 -0.707 4.462 -8.389 1.00 1.00 C ATOM 1068 CG GLU A 67 -0.268 3.667 -9.634 1.00 1.00 C ATOM 1069 CD GLU A 67 0.849 2.624 -9.453 1.00 1.00 C ATOM 1070 OE1 GLU A 67 1.781 2.817 -8.634 1.00 1.00 O ATOM 1071 OE2 GLU A 67 0.868 1.659 -10.256 1.00 1.00 O ATOM 0 H GLU A 67 -1.881 5.486 -6.437 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.312 3.158 -7.934 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.303 5.316 -8.710 1.00 1.00 H new ATOM 0 HB3 GLU A 67 0.180 4.860 -7.896 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -1.144 3.156 -10.033 1.00 1.00 H new ATOM 0 HG3 GLU A 67 0.057 4.380 -10.391 1.00 1.00 H new ATOM 1078 N LEU A 68 0.288 3.013 -5.857 1.00 1.00 N ATOM 1079 CA LEU A 68 1.224 2.147 -5.165 1.00 1.00 C ATOM 1080 C LEU A 68 0.465 1.066 -4.420 1.00 1.00 C ATOM 1081 O LEU A 68 0.722 -0.120 -4.607 1.00 1.00 O ATOM 1082 CB LEU A 68 2.098 2.977 -4.209 1.00 1.00 C ATOM 1083 CG LEU A 68 3.217 2.129 -3.591 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.303 3.059 -3.046 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.744 1.188 -2.481 1.00 1.00 C ATOM 0 H LEU A 68 0.435 4.001 -5.653 1.00 1.00 H new ATOM 0 HA LEU A 68 1.881 1.665 -5.889 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.533 3.817 -4.750 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.477 3.395 -3.417 1.00 1.00 H new ATOM 0 HG LEU A 68 3.602 1.490 -4.386 1.00 1.00 H new ATOM 0 HD11 LEU A 68 5.103 2.465 -2.605 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.706 3.663 -3.859 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.875 3.712 -2.286 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.593 0.624 -2.096 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.300 1.771 -1.674 1.00 1.00 H new ATOM 0 HD23 LEU A 68 2.001 0.498 -2.881 1.00 1.00 H new ATOM 1097 N THR A 69 -0.448 1.489 -3.557 1.00 1.00 N ATOM 1098 CA THR A 69 -1.222 0.606 -2.708 1.00 1.00 C ATOM 1099 C THR A 69 -1.930 -0.431 -3.591 1.00 1.00 C ATOM 1100 O THR A 69 -1.680 -1.622 -3.426 1.00 1.00 O ATOM 1101 CB THR A 69 -2.156 1.444 -1.818 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.424 2.467 -1.175 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.828 0.624 -0.715 1.00 1.00 C ATOM 0 H THR A 69 -0.673 2.476 -3.428 1.00 1.00 H new ATOM 0 HA THR A 69 -0.592 0.041 -2.021 1.00 1.00 H new ATOM 0 HB THR A 69 -2.921 1.842 -2.485 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.365 3.247 -1.765 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.474 1.272 -0.122 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.425 -0.170 -1.164 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.065 0.185 -0.072 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.743 -0.014 -4.568 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.484 -0.934 -5.430 1.00 1.00 C ATOM 1113 C ALA A 70 -2.551 -1.817 -6.275 1.00 1.00 C ATOM 1114 O ALA A 70 -2.917 -2.945 -6.601 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.379 -0.109 -6.370 1.00 1.00 C ATOM 0 H ALA A 70 -2.904 0.970 -4.781 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.076 -1.592 -4.794 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -4.939 -0.780 -7.021 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -5.074 0.488 -5.780 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.759 0.551 -6.977 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.376 -1.315 -6.661 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.365 -1.992 -7.472 1.00 1.00 C ATOM 1123 C ASN A 71 0.233 -3.152 -6.703 1.00 1.00 C ATOM 1124 O ASN A 71 0.162 -4.302 -7.119 1.00 1.00 O ATOM 1125 CB ASN A 71 0.762 -1.009 -7.821 1.00 1.00 C ATOM 1126 CG ASN A 71 1.842 -1.616 -8.700 1.00 1.00 C ATOM 1127 OD1 ASN A 71 1.610 -2.547 -9.465 1.00 1.00 O ATOM 1128 ND2 ASN A 71 3.057 -1.111 -8.598 1.00 1.00 N ATOM 0 H ASN A 71 -1.090 -0.371 -6.400 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.841 -2.359 -8.381 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.335 -0.144 -8.328 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.216 -0.646 -6.899 1.00 1.00 H new ATOM 0 HD21 ASN A 71 3.817 -1.495 -9.159 1.00 1.00 H new ATOM 0 HD22 ASN A 71 3.236 -0.337 -7.958 1.00 1.00 H new ATOM 1135 N VAL A 72 0.835 -2.826 -5.563 1.00 1.00 N ATOM 1136 CA VAL A 72 1.437 -3.806 -4.662 1.00 1.00 C ATOM 1137 C VAL A 72 0.362 -4.798 -4.179 1.00 1.00 C ATOM 1138 O VAL A 72 0.645 -5.988 -4.052 1.00 1.00 O ATOM 1139 CB VAL A 72 2.175 -3.100 -3.505 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.861 -4.122 -2.585 1.00 1.00 C ATOM 1141 CG2 VAL A 72 3.268 -2.126 -3.988 1.00 1.00 C ATOM 0 H VAL A 72 0.920 -1.864 -5.235 1.00 1.00 H new ATOM 0 HA VAL A 72 2.191 -4.384 -5.195 1.00 1.00 H new ATOM 0 HB VAL A 72 1.403 -2.541 -2.976 1.00 1.00 H new ATOM 0 HG11 VAL A 72 3.374 -3.599 -1.778 1.00 1.00 H new ATOM 0 HG12 VAL A 72 2.112 -4.793 -2.164 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.584 -4.701 -3.159 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.749 -1.662 -3.127 1.00 1.00 H new ATOM 0 HG22 VAL A 72 4.012 -2.672 -4.568 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.817 -1.354 -4.611 1.00 1.00 H new ATOM 1151 N LEU A 73 -0.877 -4.350 -3.955 1.00 1.00 N ATOM 1152 CA LEU A 73 -1.986 -5.233 -3.603 1.00 1.00 C ATOM 1153 C LEU A 73 -2.246 -6.214 -4.753 1.00 1.00 C ATOM 1154 O LEU A 73 -2.282 -7.427 -4.537 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.220 -4.392 -3.217 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.132 -3.828 -1.779 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.264 -2.819 -1.554 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.139 -4.879 -0.656 1.00 1.00 C ATOM 0 H LEU A 73 -1.136 -3.365 -4.013 1.00 1.00 H new ATOM 0 HA LEU A 73 -1.738 -5.835 -2.729 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.327 -3.566 -3.921 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.116 -5.006 -3.308 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.154 -3.351 -1.715 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.202 -2.422 -0.541 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.171 -2.002 -2.270 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.225 -3.314 -1.691 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.074 -4.379 0.310 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.062 -5.457 -0.704 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.286 -5.547 -0.777 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.351 -5.730 -5.994 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.492 -6.614 -7.153 1.00 1.00 C ATOM 1172 C ARG A 74 -1.263 -7.512 -7.321 1.00 1.00 C ATOM 1173 O ARG A 74 -1.389 -8.613 -7.864 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.817 -5.803 -8.419 1.00 1.00 C ATOM 1175 CG ARG A 74 -3.460 -6.706 -9.486 1.00 1.00 C ATOM 1176 CD ARG A 74 -3.715 -5.982 -10.814 1.00 1.00 C ATOM 1177 NE ARG A 74 -2.461 -5.610 -11.491 1.00 1.00 N ATOM 1178 CZ ARG A 74 -1.654 -6.410 -12.202 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -1.912 -7.709 -12.346 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -0.562 -5.902 -12.755 1.00 1.00 N ATOM 0 H ARG A 74 -2.341 -4.736 -6.221 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.336 -7.282 -6.980 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.493 -4.985 -8.171 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -1.906 -5.354 -8.815 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -2.812 -7.564 -9.666 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -4.404 -7.094 -9.104 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -4.304 -6.624 -11.469 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -4.307 -5.086 -10.630 1.00 1.00 H new ATOM 0 HE ARG A 74 -2.175 -4.634 -11.410 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -2.739 -8.116 -11.910 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -1.282 -8.297 -12.892 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -0.344 -4.913 -12.637 1.00 1.00 H new ATOM 0 HH22 ARG A 74 0.060 -6.500 -13.298 1.00 1.00 H new ATOM 1194 N ASP A 75 -0.074 -7.105 -6.871 1.00 1.00 N ATOM 1195 CA ASP A 75 1.112 -7.954 -6.896 1.00 1.00 C ATOM 1196 C ASP A 75 0.911 -9.120 -5.933 1.00 1.00 C ATOM 1197 O ASP A 75 1.163 -10.260 -6.320 1.00 1.00 O ATOM 1198 CB ASP A 75 2.388 -7.176 -6.592 1.00 1.00 C ATOM 1199 CG ASP A 75 3.613 -8.071 -6.765 1.00 1.00 C ATOM 1200 OD1 ASP A 75 4.112 -8.216 -7.905 1.00 1.00 O ATOM 1201 OD2 ASP A 75 4.126 -8.604 -5.757 1.00 1.00 O ATOM 0 H ASP A 75 0.090 -6.177 -6.480 1.00 1.00 H new ATOM 0 HA ASP A 75 1.241 -8.344 -7.906 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.463 -6.315 -7.256 1.00 1.00 H new ATOM 0 HB3 ASP A 75 2.352 -6.791 -5.573 1.00 1.00 H new ATOM 1206 N MET A 76 0.368 -8.878 -4.732 1.00 1.00 N ATOM 1207 CA MET A 76 0.029 -9.948 -3.785 1.00 1.00 C ATOM 1208 C MET A 76 -0.953 -10.930 -4.423 1.00 1.00 C ATOM 1209 O MET A 76 -0.865 -12.135 -4.203 1.00 1.00 O ATOM 1210 CB MET A 76 -0.592 -9.399 -2.489 1.00 1.00 C ATOM 1211 CG MET A 76 0.351 -8.522 -1.666 1.00 1.00 C ATOM 1212 SD MET A 76 -0.494 -7.468 -0.463 1.00 1.00 S ATOM 1213 CE MET A 76 -1.010 -8.698 0.766 1.00 1.00 C ATOM 0 H MET A 76 0.153 -7.941 -4.392 1.00 1.00 H new ATOM 0 HA MET A 76 0.961 -10.454 -3.534 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.481 -8.820 -2.742 1.00 1.00 H new ATOM 0 HB3 MET A 76 -0.921 -10.236 -1.874 1.00 1.00 H new ATOM 0 HG2 MET A 76 1.060 -9.161 -1.140 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.930 -7.893 -2.342 1.00 1.00 H new ATOM 0 HE1 MET A 76 -1.761 -8.261 1.425 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.433 -9.565 0.258 1.00 1.00 H new ATOM 0 HE3 MET A 76 -0.147 -9.008 1.355 1.00 1.00 H new ATOM 1223 N GLY A 77 -1.846 -10.401 -5.254 1.00 1.00 N ATOM 1224 CA GLY A 77 -2.887 -11.109 -5.991 1.00 1.00 C ATOM 1225 C GLY A 77 -4.274 -10.515 -5.748 1.00 1.00 C ATOM 1226 O GLY A 77 -5.243 -10.952 -6.373 1.00 1.00 O ATOM 0 H GLY A 77 -1.862 -9.399 -5.443 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -2.661 -11.076 -7.057 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -2.887 -12.159 -5.698 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.376 -9.531 -4.855 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.599 -8.857 -4.471 1.00 1.00 C ATOM 1232 C LEU A 78 -6.002 -7.915 -5.605 1.00 1.00 C ATOM 1233 O LEU A 78 -5.383 -6.870 -5.785 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.316 -8.122 -3.147 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.513 -7.433 -2.472 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -6.005 -6.692 -1.236 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -7.178 -6.369 -3.342 1.00 1.00 C ATOM 0 H LEU A 78 -3.561 -9.170 -4.359 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.432 -9.541 -4.310 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -4.894 -8.839 -2.443 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.550 -7.369 -3.332 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.237 -8.219 -2.258 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.839 -6.195 -0.741 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.546 -7.403 -0.549 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.266 -5.949 -1.535 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.014 -5.926 -2.800 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -6.452 -5.593 -3.586 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.543 -6.827 -4.261 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.049 -8.255 -6.357 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.580 -7.384 -7.413 1.00 1.00 C ATOM 1251 C GLN A 79 -8.846 -6.622 -6.994 1.00 1.00 C ATOM 1252 O GLN A 79 -9.086 -5.511 -7.465 1.00 1.00 O ATOM 1253 CB GLN A 79 -7.870 -8.206 -8.681 1.00 1.00 C ATOM 1254 CG GLN A 79 -8.684 -9.491 -8.428 1.00 1.00 C ATOM 1255 CD GLN A 79 -9.541 -9.890 -9.626 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -9.130 -9.743 -10.777 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -10.748 -10.372 -9.387 1.00 1.00 N ATOM 0 H GLN A 79 -7.552 -9.136 -6.255 1.00 1.00 H new ATOM 0 HA GLN A 79 -6.811 -6.638 -7.611 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -8.411 -7.580 -9.390 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -6.924 -8.475 -9.151 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.002 -10.306 -8.186 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -9.326 -9.344 -7.560 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -11.070 -10.486 -8.426 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -11.357 -10.630 -10.163 1.00 1.00 H new ATOM 1266 N GLU A 80 -9.658 -7.203 -6.115 1.00 1.00 N ATOM 1267 CA GLU A 80 -10.963 -6.731 -5.655 1.00 1.00 C ATOM 1268 C GLU A 80 -10.912 -5.389 -4.922 1.00 1.00 C ATOM 1269 O GLU A 80 -11.389 -4.375 -5.441 1.00 1.00 O ATOM 1270 CB GLU A 80 -11.579 -7.845 -4.784 1.00 1.00 C ATOM 1271 CG GLU A 80 -10.626 -8.461 -3.735 1.00 1.00 C ATOM 1272 CD GLU A 80 -11.176 -9.744 -3.138 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -10.844 -10.826 -3.675 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -11.838 -9.679 -2.076 1.00 1.00 O ATOM 0 H GLU A 80 -9.402 -8.085 -5.671 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.590 -6.531 -6.524 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -12.450 -7.441 -4.268 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -11.937 -8.640 -5.438 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -9.661 -8.664 -4.199 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -10.451 -7.738 -2.938 1.00 1.00 H new ATOM 1281 N MET A 81 -10.280 -5.358 -3.751 1.00 1.00 N ATOM 1282 CA MET A 81 -10.088 -4.152 -2.964 1.00 1.00 C ATOM 1283 C MET A 81 -9.157 -3.206 -3.703 1.00 1.00 C ATOM 1284 O MET A 81 -9.411 -2.021 -3.634 1.00 1.00 O ATOM 1285 CB MET A 81 -9.825 -4.492 -1.489 1.00 1.00 C ATOM 1286 CG MET A 81 -9.159 -3.366 -0.710 1.00 1.00 C ATOM 1287 SD MET A 81 -9.556 -3.441 1.053 1.00 1.00 S ATOM 1288 CE MET A 81 -8.453 -4.769 1.592 1.00 1.00 C ATOM 0 H MET A 81 -9.880 -6.190 -3.318 1.00 1.00 H new ATOM 0 HA MET A 81 -10.995 -3.555 -2.869 1.00 1.00 H new ATOM 0 HB2 MET A 81 -10.771 -4.744 -1.009 1.00 1.00 H new ATOM 0 HB3 MET A 81 -9.195 -5.380 -1.437 1.00 1.00 H new ATOM 0 HG2 MET A 81 -8.078 -3.423 -0.842 1.00 1.00 H new ATOM 0 HG3 MET A 81 -9.479 -2.406 -1.114 1.00 1.00 H new ATOM 0 HE1 MET A 81 -8.378 -4.761 2.679 1.00 1.00 H new ATOM 0 HE2 MET A 81 -8.851 -5.729 1.263 1.00 1.00 H new ATOM 0 HE3 MET A 81 -7.464 -4.619 1.159 1.00 1.00 H new ATOM 1298 N ALA A 82 -8.184 -3.667 -4.490 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.356 -2.779 -5.308 1.00 1.00 C ATOM 1300 C ALA A 82 -8.249 -2.023 -6.316 1.00 1.00 C ATOM 1301 O ALA A 82 -8.044 -0.838 -6.575 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.275 -3.595 -6.024 1.00 1.00 C ATOM 0 H ALA A 82 -7.949 -4.656 -4.578 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.860 -2.044 -4.673 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.661 -2.931 -6.632 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.648 -4.095 -5.286 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -6.746 -4.341 -6.664 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.287 -2.677 -6.844 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.262 -2.052 -7.722 1.00 1.00 C ATOM 1310 C GLY A 83 -11.221 -1.134 -6.963 1.00 1.00 C ATOM 1311 O GLY A 83 -11.684 -0.140 -7.524 1.00 1.00 O ATOM 0 H GLY A 83 -9.470 -3.665 -6.668 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -9.742 -1.477 -8.488 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -10.833 -2.825 -8.236 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.570 -1.448 -5.710 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.390 -0.560 -4.881 1.00 1.00 C ATOM 1317 C GLN A 84 -11.589 0.696 -4.559 1.00 1.00 C ATOM 1318 O GLN A 84 -12.090 1.795 -4.731 1.00 1.00 O ATOM 1319 CB GLN A 84 -12.846 -1.251 -3.591 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.021 -2.219 -3.782 1.00 1.00 C ATOM 1321 CD GLN A 84 -15.362 -1.490 -3.865 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -16.098 -1.415 -2.886 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -15.750 -0.947 -5.009 1.00 1.00 N ATOM 0 H GLN A 84 -11.295 -2.315 -5.247 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.289 -0.295 -5.437 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.004 -1.798 -3.167 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.130 -0.490 -2.864 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -13.868 -2.799 -4.692 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -14.045 -2.927 -2.953 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -15.147 -1.002 -5.830 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -16.651 -0.473 -5.069 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.326 0.521 -4.186 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.328 1.538 -3.902 1.00 1.00 C ATOM 1334 C LEU A 85 -9.255 2.508 -5.076 1.00 1.00 C ATOM 1335 O LEU A 85 -9.286 3.726 -4.888 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.002 0.785 -3.700 1.00 1.00 C ATOM 1337 CG LEU A 85 -6.889 1.470 -2.929 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.370 1.710 -1.511 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.741 0.470 -2.819 1.00 1.00 C ATOM 0 H LEU A 85 -9.945 -0.417 -4.065 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.565 2.126 -3.015 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.228 -0.153 -3.193 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.613 0.529 -4.686 1.00 1.00 H new ATOM 0 HG LEU A 85 -6.596 2.399 -3.418 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.584 2.202 -0.939 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.256 2.344 -1.530 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.616 0.756 -1.044 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -4.916 0.923 -2.269 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -6.083 -0.420 -2.291 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.403 0.193 -3.818 1.00 1.00 H new ATOM 1351 N GLN A 86 -9.192 1.950 -6.290 1.00 1.00 N ATOM 1352 CA GLN A 86 -9.225 2.697 -7.531 1.00 1.00 C ATOM 1353 C GLN A 86 -10.519 3.523 -7.601 1.00 1.00 C ATOM 1354 O GLN A 86 -10.447 4.750 -7.660 1.00 1.00 O ATOM 1355 CB GLN A 86 -9.097 1.720 -8.717 1.00 1.00 C ATOM 1356 CG GLN A 86 -8.715 2.401 -10.034 1.00 1.00 C ATOM 1357 CD GLN A 86 -7.202 2.504 -10.180 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -6.561 1.607 -10.728 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -6.592 3.566 -9.698 1.00 1.00 N ATOM 0 H GLN A 86 -9.115 0.942 -6.429 1.00 1.00 H new ATOM 0 HA GLN A 86 -8.387 3.393 -7.579 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -8.347 0.966 -8.477 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -10.044 1.197 -8.850 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -9.127 1.837 -10.871 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -9.156 3.397 -10.073 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -7.133 4.303 -9.246 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -5.579 3.652 -9.777 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.684 2.865 -7.583 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.986 3.505 -7.753 1.00 1.00 C ATOM 1370 C ALA A 87 -13.288 4.557 -6.679 1.00 1.00 C ATOM 1371 O ALA A 87 -13.899 5.583 -6.973 1.00 1.00 O ATOM 1372 CB ALA A 87 -14.087 2.439 -7.782 1.00 1.00 C ATOM 0 H ALA A 87 -11.745 1.856 -7.447 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.958 4.038 -8.703 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -15.057 2.921 -7.909 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.910 1.755 -8.612 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -14.079 1.882 -6.845 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.859 4.332 -5.442 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.986 5.283 -4.358 1.00 1.00 C ATOM 1380 C ALA A 88 -12.147 6.512 -4.687 1.00 1.00 C ATOM 1381 O ALA A 88 -12.676 7.623 -4.749 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.542 4.633 -3.046 1.00 1.00 C ATOM 0 H ALA A 88 -12.404 3.462 -5.165 1.00 1.00 H new ATOM 0 HA ALA A 88 -14.025 5.591 -4.238 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.639 5.352 -2.233 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -13.168 3.765 -2.840 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.502 4.318 -3.130 1.00 1.00 H new ATOM 1388 N THR A 89 -10.847 6.324 -4.934 1.00 1.00 N ATOM 1389 CA THR A 89 -9.936 7.439 -5.158 1.00 1.00 C ATOM 1390 C THR A 89 -10.312 8.254 -6.402 1.00 1.00 C ATOM 1391 O THR A 89 -10.122 9.473 -6.421 1.00 1.00 O ATOM 1392 CB THR A 89 -8.472 6.959 -5.154 1.00 1.00 C ATOM 1393 OG1 THR A 89 -8.240 6.091 -4.059 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.518 8.147 -4.988 1.00 1.00 C ATOM 0 H THR A 89 -10.406 5.406 -4.983 1.00 1.00 H new ATOM 0 HA THR A 89 -10.038 8.134 -4.324 1.00 1.00 H new ATOM 0 HB THR A 89 -8.295 6.448 -6.101 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.503 5.179 -4.303 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.488 7.789 -4.987 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.659 8.845 -5.813 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.727 8.653 -4.045 1.00 1.00 H new