USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 831 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 34 HIS :FLIP no HD1:sc= -3 F(o=-4.5!,f=-3) USER MOD Set 1.2: A 106 ASN :FLIP amide:sc= 0 F(o=-5.5,f=-3) USER MOD Set 2.1: A 64 CYS SG : rot 52:sc= -3.67! USER MOD Set 2.2: A 70 THR OG1 : rot -48:sc= 0.888 USER MOD Set 3.1: A 30 TYR OH : rot 15:sc= -0.0427 USER MOD Set 3.2: A 63 HIS : no HE2:sc= -14.2! C(o=-14!,f=-19!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.877 (180deg=-3.45!) USER MOD Single : A 4 THR OG1 : rot 63:sc= 0.839 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0799 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.524 F(o=-1.8!,f=-0.52) USER MOD Single : A 12 GLN : amide:sc= -2.89! C(o=-2.9!,f=-6.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 77:sc= 0.675 USER MOD Single : A 54 LYS NZ :NH3+ -152:sc= -13.8! (180deg=-16.1!) USER MOD Single : A 57 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-11!) USER MOD Single : A 59 GLN : amide:sc= -0.0178 K(o=-0.018,f=-0.66) USER MOD Single : A 65 GLN : amide:sc= -0.0775 K(o=-0.078,f=-2.4!) USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= -0.858 (180deg=-2.06!) USER MOD Single : A 71 SER OG : rot -22:sc= 1.01 USER MOD Single : A 72 ASN : amide:sc= -2.71! C(o=-2.7!,f=-2.8!) USER MOD Single : A 73 ASN : amide:sc= -2.15 X(o=-2.1,f=-1.8) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.732 -6.469 13.152 1.00 0.00 N ATOM 2 CA MET A 1 8.667 -5.497 12.776 1.00 0.00 C ATOM 3 C MET A 1 9.242 -4.085 12.785 1.00 0.00 C ATOM 4 O MET A 1 8.912 -3.276 13.653 1.00 0.00 O ATOM 5 CB MET A 1 7.512 -5.595 13.774 1.00 0.00 C ATOM 6 CG MET A 1 8.055 -5.995 15.148 1.00 0.00 C ATOM 7 SD MET A 1 7.107 -5.151 16.439 1.00 0.00 S ATOM 8 CE MET A 1 8.499 -4.305 17.228 1.00 0.00 C ATOM 0 H1 MET A 1 9.307 -7.270 13.661 1.00 0.00 H new ATOM 0 H2 MET A 1 10.205 -6.816 12.293 1.00 0.00 H new ATOM 0 H3 MET A 1 10.429 -6.000 13.765 1.00 0.00 H new ATOM 0 HA MET A 1 8.297 -5.727 11.777 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.993 -4.639 13.841 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.783 -6.330 13.432 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.986 -7.075 15.278 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.110 -5.731 15.225 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.136 -3.713 18.068 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.217 -5.043 17.587 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.983 -3.649 16.505 1.00 0.00 H new ATOM 18 N ALA A 2 10.103 -3.795 11.815 1.00 0.00 N ATOM 19 CA ALA A 2 10.716 -2.476 11.723 1.00 0.00 C ATOM 20 C ALA A 2 9.927 -1.584 10.770 1.00 0.00 C ATOM 21 O ALA A 2 10.504 -0.810 10.006 1.00 0.00 O ATOM 22 CB ALA A 2 12.159 -2.605 11.233 1.00 0.00 C ATOM 0 H ALA A 2 10.390 -4.450 11.087 1.00 0.00 H new ATOM 0 HA ALA A 2 10.710 -2.022 12.714 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.611 -1.615 11.167 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.728 -3.217 11.933 1.00 0.00 H new ATOM 0 HB3 ALA A 2 12.169 -3.075 10.249 1.00 0.00 H new ATOM 28 N LEU A 3 8.603 -1.698 10.821 1.00 0.00 N ATOM 29 CA LEU A 3 7.744 -0.897 9.956 1.00 0.00 C ATOM 30 C LEU A 3 8.250 0.540 9.884 1.00 0.00 C ATOM 31 O LEU A 3 8.302 1.242 10.894 1.00 0.00 O ATOM 32 CB LEU A 3 6.308 -0.911 10.486 1.00 0.00 C ATOM 33 CG LEU A 3 6.260 -0.237 11.858 1.00 0.00 C ATOM 34 CD1 LEU A 3 5.679 1.171 11.714 1.00 0.00 C ATOM 35 CD2 LEU A 3 5.374 -1.059 12.797 1.00 0.00 C ATOM 0 H LEU A 3 8.105 -2.332 11.447 1.00 0.00 H new ATOM 0 HA LEU A 3 7.764 -1.328 8.955 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.648 -0.391 9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.947 -1.937 10.561 1.00 0.00 H new ATOM 0 HG LEU A 3 7.268 -0.175 12.269 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.644 1.652 12.691 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.307 1.757 11.043 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.671 1.108 11.305 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.338 -0.580 13.776 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.366 -1.120 12.386 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.785 -2.063 12.899 1.00 0.00 H new ATOM 47 N THR A 4 8.630 0.970 8.685 1.00 0.00 N ATOM 48 CA THR A 4 9.136 2.326 8.497 1.00 0.00 C ATOM 49 C THR A 4 8.405 3.024 7.355 1.00 0.00 C ATOM 50 O THR A 4 7.828 2.375 6.484 1.00 0.00 O ATOM 51 CB THR A 4 10.634 2.284 8.188 1.00 0.00 C ATOM 52 OG1 THR A 4 11.345 1.857 9.344 1.00 0.00 O ATOM 53 CG2 THR A 4 11.113 3.678 7.779 1.00 0.00 C ATOM 0 H THR A 4 8.598 0.406 7.836 1.00 0.00 H new ATOM 0 HA THR A 4 8.965 2.884 9.417 1.00 0.00 H new ATOM 0 HB THR A 4 10.816 1.586 7.371 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.078 0.942 9.573 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.180 3.646 7.559 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.570 4.004 6.892 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.931 4.379 8.594 1.00 0.00 H new ATOM 61 N THR A 5 8.441 4.353 7.364 1.00 0.00 N ATOM 62 CA THR A 5 7.786 5.133 6.322 1.00 0.00 C ATOM 63 C THR A 5 8.736 5.346 5.149 1.00 0.00 C ATOM 64 O THR A 5 9.951 5.425 5.330 1.00 0.00 O ATOM 65 CB THR A 5 7.346 6.487 6.879 1.00 0.00 C ATOM 66 OG1 THR A 5 8.248 6.894 7.898 1.00 0.00 O ATOM 67 CG2 THR A 5 5.937 6.367 7.461 1.00 0.00 C ATOM 0 H THR A 5 8.914 4.909 8.077 1.00 0.00 H new ATOM 0 HA THR A 5 6.909 4.586 5.976 1.00 0.00 H new ATOM 0 HB THR A 5 7.344 7.227 6.078 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.968 7.763 8.255 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.624 7.333 7.858 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.245 6.055 6.678 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.936 5.628 8.262 1.00 0.00 H new ATOM 75 N ILE A 6 8.180 5.434 3.945 1.00 0.00 N ATOM 76 CA ILE A 6 9.001 5.632 2.756 1.00 0.00 C ATOM 77 C ILE A 6 8.371 6.658 1.824 1.00 0.00 C ATOM 78 O ILE A 6 7.201 7.015 1.966 1.00 0.00 O ATOM 79 CB ILE A 6 9.197 4.292 2.021 1.00 0.00 C ATOM 80 CG1 ILE A 6 10.691 3.988 1.930 1.00 0.00 C ATOM 81 CG2 ILE A 6 8.604 4.347 0.606 1.00 0.00 C ATOM 82 CD1 ILE A 6 10.897 2.565 1.410 1.00 0.00 C ATOM 0 H ILE A 6 7.177 5.372 3.768 1.00 0.00 H new ATOM 0 HA ILE A 6 9.974 6.012 3.070 1.00 0.00 H new ATOM 0 HB ILE A 6 8.683 3.510 2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.177 4.702 1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.155 4.098 2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.756 3.388 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 6 7.536 4.558 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.098 5.133 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.964 2.352 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.425 1.857 2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.449 2.471 0.421 1.00 0.00 H new ATOM 94 N SER A 7 9.161 7.114 0.863 1.00 0.00 N ATOM 95 CA SER A 7 8.685 8.087 -0.108 1.00 0.00 C ATOM 96 C SER A 7 8.477 7.411 -1.462 1.00 0.00 C ATOM 97 O SER A 7 9.256 6.543 -1.854 1.00 0.00 O ATOM 98 CB SER A 7 9.696 9.224 -0.248 1.00 0.00 C ATOM 99 OG SER A 7 9.014 10.469 -0.178 1.00 0.00 O ATOM 0 H SER A 7 10.131 6.827 0.735 1.00 0.00 H new ATOM 0 HA SER A 7 7.736 8.496 0.238 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.444 9.161 0.543 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.227 9.140 -1.196 1.00 0.00 H new ATOM 0 HG SER A 7 9.660 11.201 -0.266 1.00 0.00 H new ATOM 105 N PRO A 8 7.451 7.787 -2.178 1.00 0.00 N ATOM 106 CA PRO A 8 7.146 7.197 -3.509 1.00 0.00 C ATOM 107 C PRO A 8 8.408 6.979 -4.343 1.00 0.00 C ATOM 108 O PRO A 8 8.407 6.205 -5.300 1.00 0.00 O ATOM 109 CB PRO A 8 6.235 8.236 -4.158 1.00 0.00 C ATOM 110 CG PRO A 8 5.572 8.960 -3.030 1.00 0.00 C ATOM 111 CD PRO A 8 6.470 8.814 -1.797 1.00 0.00 C ATOM 0 HA PRO A 8 6.688 6.211 -3.429 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.808 8.923 -4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.497 7.760 -4.804 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.432 10.012 -3.279 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.584 8.544 -2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.958 9.756 -1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.896 8.510 -0.921 1.00 0.00 H new ATOM 119 N HIS A 9 9.477 7.678 -3.976 1.00 0.00 N ATOM 120 CA HIS A 9 10.741 7.568 -4.697 1.00 0.00 C ATOM 121 C HIS A 9 11.470 6.270 -4.351 1.00 0.00 C ATOM 122 O HIS A 9 12.234 5.748 -5.165 1.00 0.00 O ATOM 123 CB HIS A 9 11.637 8.761 -4.358 1.00 0.00 C ATOM 124 CG HIS A 9 10.918 10.039 -4.693 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.638 10.466 -4.438 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 11.530 11.071 -5.386 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 9.456 11.743 -4.963 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 10.628 12.060 -5.522 1.00 0.00 N flip ATOM 0 H HIS A 9 9.494 8.324 -3.187 1.00 0.00 H new ATOM 0 HA HIS A 9 10.518 7.561 -5.764 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.898 8.745 -3.300 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.570 8.699 -4.917 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.546 11.080 -5.751 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.561 12.347 -4.926 1.00 0.00 H new ATOM 0 HE2 HIS A 9 10.816 12.944 -5.994 1.00 0.00 H new ATOM 136 N ASP A 10 11.241 5.752 -3.147 1.00 0.00 N ATOM 137 CA ASP A 10 11.897 4.516 -2.729 1.00 0.00 C ATOM 138 C ASP A 10 11.125 3.304 -3.232 1.00 0.00 C ATOM 139 O ASP A 10 11.691 2.410 -3.861 1.00 0.00 O ATOM 140 CB ASP A 10 11.981 4.459 -1.207 1.00 0.00 C ATOM 141 CG ASP A 10 12.294 5.843 -0.648 1.00 0.00 C ATOM 142 OD1 ASP A 10 11.495 6.741 -0.859 1.00 0.00 O ATOM 143 OD2 ASP A 10 13.330 5.987 -0.019 1.00 0.00 O ATOM 0 H ASP A 10 10.616 6.161 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 10 12.901 4.502 -3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.039 4.097 -0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.753 3.752 -0.904 1.00 0.00 H new ATOM 148 N ALA A 11 9.829 3.277 -2.942 1.00 0.00 N ATOM 149 CA ALA A 11 8.984 2.166 -3.361 1.00 0.00 C ATOM 150 C ALA A 11 9.284 1.778 -4.805 1.00 0.00 C ATOM 151 O ALA A 11 9.190 0.607 -5.172 1.00 0.00 O ATOM 152 CB ALA A 11 7.511 2.556 -3.230 1.00 0.00 C ATOM 0 H ALA A 11 9.343 4.007 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 11 9.193 1.311 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.884 1.722 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.291 2.804 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.306 3.421 -3.860 1.00 0.00 H new ATOM 158 N GLN A 12 9.644 2.764 -5.618 1.00 0.00 N ATOM 159 CA GLN A 12 9.953 2.507 -7.020 1.00 0.00 C ATOM 160 C GLN A 12 11.240 1.696 -7.148 1.00 0.00 C ATOM 161 O GLN A 12 11.274 0.673 -7.832 1.00 0.00 O ATOM 162 CB GLN A 12 10.103 3.832 -7.771 1.00 0.00 C ATOM 163 CG GLN A 12 10.962 3.620 -9.020 1.00 0.00 C ATOM 164 CD GLN A 12 10.421 2.448 -9.832 1.00 0.00 C ATOM 165 OE1 GLN A 12 9.267 2.053 -9.663 1.00 0.00 O ATOM 166 NE2 GLN A 12 11.190 1.865 -10.710 1.00 0.00 N ATOM 0 H GLN A 12 9.729 3.740 -5.335 1.00 0.00 H new ATOM 0 HA GLN A 12 9.134 1.933 -7.454 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.122 4.215 -8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.563 4.579 -7.123 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.964 4.525 -9.628 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.996 3.428 -8.732 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.146 2.193 -10.849 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.836 1.081 -11.258 1.00 0.00 H new ATOM 175 N GLU A 13 12.295 2.161 -6.488 1.00 0.00 N ATOM 176 CA GLU A 13 13.578 1.470 -6.538 1.00 0.00 C ATOM 177 C GLU A 13 13.425 0.022 -6.085 1.00 0.00 C ATOM 178 O GLU A 13 14.183 -0.854 -6.502 1.00 0.00 O ATOM 179 CB GLU A 13 14.591 2.183 -5.639 1.00 0.00 C ATOM 180 CG GLU A 13 14.606 3.677 -5.972 1.00 0.00 C ATOM 181 CD GLU A 13 15.607 4.400 -5.078 1.00 0.00 C ATOM 182 OE1 GLU A 13 16.772 4.441 -5.438 1.00 0.00 O ATOM 183 OE2 GLU A 13 15.194 4.904 -4.046 1.00 0.00 O ATOM 0 H GLU A 13 12.288 3.006 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 13 13.935 1.481 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.330 2.036 -4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.584 1.757 -5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.870 3.822 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.611 4.099 -5.833 1.00 0.00 H new ATOM 190 N LEU A 14 12.439 -0.222 -5.228 1.00 0.00 N ATOM 191 CA LEU A 14 12.192 -1.566 -4.721 1.00 0.00 C ATOM 192 C LEU A 14 11.502 -2.424 -5.773 1.00 0.00 C ATOM 193 O LEU A 14 11.846 -3.592 -5.959 1.00 0.00 O ATOM 194 CB LEU A 14 11.316 -1.497 -3.472 1.00 0.00 C ATOM 195 CG LEU A 14 11.948 -0.543 -2.461 1.00 0.00 C ATOM 196 CD1 LEU A 14 11.208 -0.659 -1.132 1.00 0.00 C ATOM 197 CD2 LEU A 14 13.419 -0.914 -2.259 1.00 0.00 C ATOM 0 H LEU A 14 11.801 0.490 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 14 13.152 -2.018 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.315 -1.155 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.209 -2.489 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 14 11.881 0.480 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.655 0.020 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.160 -0.398 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.280 -1.682 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.870 -0.233 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.489 -1.936 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.947 -0.838 -3.209 1.00 0.00 H new ATOM 209 N ILE A 15 10.528 -1.839 -6.462 1.00 0.00 N ATOM 210 CA ILE A 15 9.804 -2.569 -7.493 1.00 0.00 C ATOM 211 C ILE A 15 10.790 -3.280 -8.405 1.00 0.00 C ATOM 212 O ILE A 15 10.453 -4.267 -9.059 1.00 0.00 O ATOM 213 CB ILE A 15 8.953 -1.604 -8.318 1.00 0.00 C ATOM 214 CG1 ILE A 15 7.759 -1.134 -7.486 1.00 0.00 C ATOM 215 CG2 ILE A 15 8.446 -2.318 -9.573 1.00 0.00 C ATOM 216 CD1 ILE A 15 7.016 -0.030 -8.239 1.00 0.00 C ATOM 0 H ILE A 15 10.225 -0.874 -6.327 1.00 0.00 H new ATOM 0 HA ILE A 15 9.154 -3.303 -7.017 1.00 0.00 H new ATOM 0 HB ILE A 15 9.557 -0.743 -8.605 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.088 -1.970 -7.289 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.099 -0.764 -6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.839 -1.631 -10.162 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.295 -2.654 -10.168 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.843 -3.178 -9.283 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.165 0.305 -7.646 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.690 0.809 -8.413 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.663 -0.416 -9.195 1.00 0.00 H new ATOM 228 N ALA A 16 12.015 -2.773 -8.433 1.00 0.00 N ATOM 229 CA ALA A 16 13.058 -3.366 -9.258 1.00 0.00 C ATOM 230 C ALA A 16 13.739 -4.504 -8.506 1.00 0.00 C ATOM 231 O ALA A 16 14.310 -5.410 -9.115 1.00 0.00 O ATOM 232 CB ALA A 16 14.093 -2.305 -9.638 1.00 0.00 C ATOM 0 H ALA A 16 12.310 -1.957 -7.897 1.00 0.00 H new ATOM 0 HA ALA A 16 12.603 -3.762 -10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.869 -2.758 -10.255 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.606 -1.505 -10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.542 -1.895 -8.734 1.00 0.00 H new ATOM 238 N ARG A 17 13.673 -4.449 -7.179 1.00 0.00 N ATOM 239 CA ARG A 17 14.284 -5.478 -6.346 1.00 0.00 C ATOM 240 C ARG A 17 13.392 -6.714 -6.287 1.00 0.00 C ATOM 241 O ARG A 17 13.846 -7.832 -6.535 1.00 0.00 O ATOM 242 CB ARG A 17 14.512 -4.937 -4.931 1.00 0.00 C ATOM 243 CG ARG A 17 15.862 -5.423 -4.398 1.00 0.00 C ATOM 244 CD ARG A 17 16.934 -4.365 -4.671 1.00 0.00 C ATOM 245 NE ARG A 17 17.080 -4.148 -6.105 1.00 0.00 N ATOM 246 CZ ARG A 17 17.972 -3.287 -6.583 1.00 0.00 C ATOM 247 NH1 ARG A 17 18.733 -2.613 -5.765 1.00 0.00 N ATOM 248 NH2 ARG A 17 18.085 -3.112 -7.872 1.00 0.00 N ATOM 0 H ARG A 17 13.205 -3.706 -6.660 1.00 0.00 H new ATOM 0 HA ARG A 17 15.242 -5.757 -6.784 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.486 -3.847 -4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.710 -5.269 -4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.793 -5.617 -3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.135 -6.364 -4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.664 -3.430 -4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 17 17.886 -4.684 -4.246 1.00 0.00 H new ATOM 0 HE ARG A 17 16.487 -4.666 -6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 17 18.643 -2.747 -4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 17 19.418 -1.952 -6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.488 -3.636 -8.512 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.770 -2.451 -8.239 1.00 0.00 H new ATOM 262 N GLY A 18 12.119 -6.507 -5.962 1.00 0.00 N ATOM 263 CA GLY A 18 11.173 -7.614 -5.879 1.00 0.00 C ATOM 264 C GLY A 18 10.281 -7.491 -4.648 1.00 0.00 C ATOM 265 O GLY A 18 9.870 -8.495 -4.066 1.00 0.00 O ATOM 0 H GLY A 18 11.722 -5.591 -5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.556 -7.635 -6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 18 11.717 -8.558 -5.843 1.00 0.00 H new ATOM 269 N ALA A 19 9.981 -6.256 -4.255 1.00 0.00 N ATOM 270 CA ALA A 19 9.132 -6.023 -3.090 1.00 0.00 C ATOM 271 C ALA A 19 7.671 -6.316 -3.424 1.00 0.00 C ATOM 272 O ALA A 19 7.353 -6.740 -4.534 1.00 0.00 O ATOM 273 CB ALA A 19 9.269 -4.572 -2.625 1.00 0.00 C ATOM 0 H ALA A 19 10.309 -5.409 -4.720 1.00 0.00 H new ATOM 0 HA ALA A 19 9.452 -6.692 -2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.632 -4.407 -1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.307 -4.372 -2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.966 -3.902 -3.429 1.00 0.00 H new ATOM 279 N LYS A 20 6.788 -6.090 -2.455 1.00 0.00 N ATOM 280 CA LYS A 20 5.366 -6.337 -2.657 1.00 0.00 C ATOM 281 C LYS A 20 4.555 -5.083 -2.336 1.00 0.00 C ATOM 282 O LYS A 20 4.455 -4.676 -1.178 1.00 0.00 O ATOM 283 CB LYS A 20 4.906 -7.488 -1.755 1.00 0.00 C ATOM 284 CG LYS A 20 4.944 -8.815 -2.524 1.00 0.00 C ATOM 285 CD LYS A 20 4.036 -9.832 -1.831 1.00 0.00 C ATOM 286 CE LYS A 20 3.965 -11.110 -2.669 1.00 0.00 C ATOM 287 NZ LYS A 20 2.709 -11.110 -3.471 1.00 0.00 N ATOM 0 H LYS A 20 7.031 -5.739 -1.529 1.00 0.00 H new ATOM 0 HA LYS A 20 5.205 -6.604 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.549 -7.550 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.895 -7.296 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.617 -8.661 -3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.965 -9.193 -2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.419 -10.058 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.038 -9.414 -1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.830 -11.173 -3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.994 -11.985 -2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.661 -11.979 -4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.889 -11.069 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.699 -10.282 -4.101 1.00 0.00 H new ATOM 301 N LEU A 21 3.974 -4.477 -3.368 1.00 0.00 N ATOM 302 CA LEU A 21 3.171 -3.272 -3.183 1.00 0.00 C ATOM 303 C LEU A 21 1.685 -3.613 -3.206 1.00 0.00 C ATOM 304 O LEU A 21 1.195 -4.225 -4.155 1.00 0.00 O ATOM 305 CB LEU A 21 3.479 -2.262 -4.288 1.00 0.00 C ATOM 306 CG LEU A 21 4.900 -1.725 -4.109 1.00 0.00 C ATOM 307 CD1 LEU A 21 5.857 -2.490 -5.025 1.00 0.00 C ATOM 308 CD2 LEU A 21 4.930 -0.238 -4.469 1.00 0.00 C ATOM 0 H LEU A 21 4.043 -4.797 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 21 3.421 -2.837 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.378 -2.734 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.762 -1.441 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 21 5.209 -1.856 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.869 -2.106 -4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.836 -3.550 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.549 -2.360 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.942 0.147 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.620 -0.108 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.250 0.308 -3.816 1.00 0.00 H new ATOM 320 N ILE A 22 0.972 -3.219 -2.156 1.00 0.00 N ATOM 321 CA ILE A 22 -0.457 -3.499 -2.074 1.00 0.00 C ATOM 322 C ILE A 22 -1.233 -2.286 -1.583 1.00 0.00 C ATOM 323 O ILE A 22 -0.818 -1.609 -0.642 1.00 0.00 O ATOM 324 CB ILE A 22 -0.707 -4.654 -1.109 1.00 0.00 C ATOM 325 CG1 ILE A 22 0.264 -5.795 -1.411 1.00 0.00 C ATOM 326 CG2 ILE A 22 -2.146 -5.153 -1.267 1.00 0.00 C ATOM 327 CD1 ILE A 22 0.263 -6.781 -0.241 1.00 0.00 C ATOM 0 H ILE A 22 1.354 -2.711 -1.359 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.798 -3.758 -3.076 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.553 -4.309 -0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.028 -6.303 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.268 -5.401 -1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.323 -5.978 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.839 -4.341 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.302 -5.496 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.954 -7.597 -0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.575 -6.267 0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.741 -7.183 -0.104 1.00 0.00 H new ATOM 339 N ASP A 23 -2.380 -2.039 -2.203 1.00 0.00 N ATOM 340 CA ASP A 23 -3.225 -0.930 -1.798 1.00 0.00 C ATOM 341 C ASP A 23 -4.470 -1.462 -1.114 1.00 0.00 C ATOM 342 O ASP A 23 -4.979 -2.526 -1.467 1.00 0.00 O ATOM 343 CB ASP A 23 -3.640 -0.095 -3.002 1.00 0.00 C ATOM 344 CG ASP A 23 -4.674 0.945 -2.584 1.00 0.00 C ATOM 345 OD1 ASP A 23 -4.526 1.498 -1.507 1.00 0.00 O ATOM 346 OD2 ASP A 23 -5.600 1.172 -3.346 1.00 0.00 O ATOM 0 H ASP A 23 -2.742 -2.589 -2.982 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.658 -0.302 -1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.768 0.399 -3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.054 -0.740 -3.777 1.00 0.00 H new ATOM 351 N ILE A 24 -4.957 -0.718 -0.139 1.00 0.00 N ATOM 352 CA ILE A 24 -6.144 -1.128 0.582 1.00 0.00 C ATOM 353 C ILE A 24 -7.278 -0.140 0.321 1.00 0.00 C ATOM 354 O ILE A 24 -8.210 -0.433 -0.428 1.00 0.00 O ATOM 355 CB ILE A 24 -5.830 -1.207 2.080 1.00 0.00 C ATOM 356 CG1 ILE A 24 -4.651 -0.286 2.414 1.00 0.00 C ATOM 357 CG2 ILE A 24 -5.441 -2.642 2.440 1.00 0.00 C ATOM 358 CD1 ILE A 24 -4.476 -0.213 3.932 1.00 0.00 C ATOM 0 H ILE A 24 -4.552 0.166 0.169 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.460 -2.112 0.236 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.711 -0.900 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.739 -0.662 1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.828 0.710 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.217 -2.702 3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.267 -3.313 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.561 -2.935 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.638 0.442 4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.385 0.182 4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.280 -1.211 4.324 1.00 0.00 H new ATOM 370 N ARG A 25 -7.168 1.033 0.927 1.00 0.00 N ATOM 371 CA ARG A 25 -8.164 2.092 0.769 1.00 0.00 C ATOM 372 C ARG A 25 -9.470 1.552 0.193 1.00 0.00 C ATOM 373 O ARG A 25 -9.929 0.472 0.567 1.00 0.00 O ATOM 374 CB ARG A 25 -7.607 3.198 -0.133 1.00 0.00 C ATOM 375 CG ARG A 25 -7.319 2.635 -1.526 1.00 0.00 C ATOM 376 CD ARG A 25 -6.544 3.671 -2.341 1.00 0.00 C ATOM 377 NE ARG A 25 -5.134 3.651 -1.972 1.00 0.00 N ATOM 378 CZ ARG A 25 -4.198 4.093 -2.806 1.00 0.00 C ATOM 379 NH1 ARG A 25 -4.537 4.560 -3.976 1.00 0.00 N ATOM 380 NH2 ARG A 25 -2.941 4.062 -2.455 1.00 0.00 N ATOM 0 H ARG A 25 -6.391 1.281 1.540 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.381 2.501 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.322 4.018 -0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.694 3.607 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.742 1.713 -1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.253 2.384 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.652 3.461 -3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.958 4.664 -2.168 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.861 3.291 -1.057 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.519 4.586 -4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.820 4.900 -4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.676 3.698 -1.540 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.224 4.402 -3.096 1.00 0.00 H new ATOM 394 N ASP A 26 -10.068 2.315 -0.711 1.00 0.00 N ATOM 395 CA ASP A 26 -11.322 1.908 -1.331 1.00 0.00 C ATOM 396 C ASP A 26 -11.133 1.719 -2.831 1.00 0.00 C ATOM 397 O ASP A 26 -10.868 2.675 -3.558 1.00 0.00 O ATOM 398 CB ASP A 26 -12.398 2.967 -1.080 1.00 0.00 C ATOM 399 CG ASP A 26 -11.902 3.980 -0.055 1.00 0.00 C ATOM 400 OD1 ASP A 26 -11.937 3.667 1.125 1.00 0.00 O ATOM 401 OD2 ASP A 26 -11.494 5.055 -0.463 1.00 0.00 O ATOM 0 H ASP A 26 -9.708 3.214 -1.030 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.637 0.962 -0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.647 3.473 -2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.311 2.492 -0.722 1.00 0.00 H new ATOM 406 N ALA A 27 -11.264 0.480 -3.285 1.00 0.00 N ATOM 407 CA ALA A 27 -11.101 0.176 -4.703 1.00 0.00 C ATOM 408 C ALA A 27 -11.700 1.282 -5.568 1.00 0.00 C ATOM 409 O ALA A 27 -11.315 1.455 -6.724 1.00 0.00 O ATOM 410 CB ALA A 27 -11.778 -1.155 -5.033 1.00 0.00 C ATOM 0 H ALA A 27 -11.481 -0.326 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.034 0.106 -4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.652 -1.374 -6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.325 -1.950 -4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.841 -1.090 -4.800 1.00 0.00 H new ATOM 416 N ASP A 28 -12.643 2.030 -5.002 1.00 0.00 N ATOM 417 CA ASP A 28 -13.287 3.117 -5.735 1.00 0.00 C ATOM 418 C ASP A 28 -12.251 4.138 -6.196 1.00 0.00 C ATOM 419 O ASP A 28 -12.391 4.745 -7.258 1.00 0.00 O ATOM 420 CB ASP A 28 -14.325 3.805 -4.846 1.00 0.00 C ATOM 421 CG ASP A 28 -15.462 2.839 -4.530 1.00 0.00 C ATOM 422 OD1 ASP A 28 -16.175 2.473 -5.450 1.00 0.00 O ATOM 423 OD2 ASP A 28 -15.604 2.480 -3.373 1.00 0.00 O ATOM 0 H ASP A 28 -12.976 1.906 -4.046 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.782 2.697 -6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.857 4.144 -3.922 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.717 4.690 -5.348 1.00 0.00 H new ATOM 428 N GLU A 29 -11.207 4.315 -5.393 1.00 0.00 N ATOM 429 CA GLU A 29 -10.145 5.254 -5.724 1.00 0.00 C ATOM 430 C GLU A 29 -9.108 4.571 -6.604 1.00 0.00 C ATOM 431 O GLU A 29 -8.463 5.206 -7.437 1.00 0.00 O ATOM 432 CB GLU A 29 -9.477 5.760 -4.444 1.00 0.00 C ATOM 433 CG GLU A 29 -10.468 6.618 -3.653 1.00 0.00 C ATOM 434 CD GLU A 29 -10.460 8.047 -4.185 1.00 0.00 C ATOM 435 OE1 GLU A 29 -9.488 8.744 -3.941 1.00 0.00 O ATOM 436 OE2 GLU A 29 -11.424 8.424 -4.829 1.00 0.00 O ATOM 0 H GLU A 29 -11.075 3.821 -4.510 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.575 6.099 -6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.145 4.917 -3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.591 6.344 -4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.470 6.197 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.203 6.613 -2.596 1.00 0.00 H new ATOM 443 N TYR A 30 -8.962 3.265 -6.410 1.00 0.00 N ATOM 444 CA TYR A 30 -8.009 2.485 -7.185 1.00 0.00 C ATOM 445 C TYR A 30 -8.540 2.253 -8.596 1.00 0.00 C ATOM 446 O TYR A 30 -7.788 2.302 -9.569 1.00 0.00 O ATOM 447 CB TYR A 30 -7.767 1.140 -6.497 1.00 0.00 C ATOM 448 CG TYR A 30 -6.299 0.793 -6.570 1.00 0.00 C ATOM 449 CD1 TYR A 30 -5.351 1.640 -5.984 1.00 0.00 C ATOM 450 CD2 TYR A 30 -5.885 -0.375 -7.220 1.00 0.00 C ATOM 451 CE1 TYR A 30 -3.991 1.320 -6.048 1.00 0.00 C ATOM 452 CE2 TYR A 30 -4.524 -0.696 -7.285 1.00 0.00 C ATOM 453 CZ TYR A 30 -3.577 0.152 -6.699 1.00 0.00 C ATOM 454 OH TYR A 30 -2.235 -0.164 -6.764 1.00 0.00 O ATOM 0 H TYR A 30 -9.491 2.727 -5.724 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.070 3.035 -7.249 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.089 1.189 -5.457 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.360 0.362 -6.978 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.670 2.541 -5.482 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.616 -1.029 -7.672 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.260 1.974 -5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.205 -1.597 -7.787 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.739 0.383 -6.120 1.00 0.00 H new ATOM 464 N LEU A 31 -9.843 2.006 -8.698 1.00 0.00 N ATOM 465 CA LEU A 31 -10.468 1.776 -9.995 1.00 0.00 C ATOM 466 C LEU A 31 -10.207 2.957 -10.923 1.00 0.00 C ATOM 467 O LEU A 31 -9.715 2.788 -12.038 1.00 0.00 O ATOM 468 CB LEU A 31 -11.976 1.580 -9.823 1.00 0.00 C ATOM 469 CG LEU A 31 -12.605 1.235 -11.172 1.00 0.00 C ATOM 470 CD1 LEU A 31 -12.999 -0.243 -11.191 1.00 0.00 C ATOM 471 CD2 LEU A 31 -13.853 2.096 -11.389 1.00 0.00 C ATOM 0 H LEU A 31 -10.482 1.960 -7.904 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.037 0.877 -10.435 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.170 0.783 -9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.427 2.487 -9.421 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.885 1.429 -11.967 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.448 -0.488 -12.154 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.112 -0.858 -11.037 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.718 -0.438 -10.396 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.302 1.850 -12.351 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.572 1.902 -10.593 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.575 3.150 -11.377 1.00 0.00 H new ATOM 483 N ARG A 32 -10.535 4.155 -10.450 1.00 0.00 N ATOM 484 CA ARG A 32 -10.325 5.363 -11.241 1.00 0.00 C ATOM 485 C ARG A 32 -8.860 5.482 -11.641 1.00 0.00 C ATOM 486 O ARG A 32 -8.526 6.094 -12.656 1.00 0.00 O ATOM 487 CB ARG A 32 -10.737 6.593 -10.431 1.00 0.00 C ATOM 488 CG ARG A 32 -10.019 6.579 -9.081 1.00 0.00 C ATOM 489 CD ARG A 32 -10.365 7.851 -8.304 1.00 0.00 C ATOM 490 NE ARG A 32 -11.738 7.787 -7.813 1.00 0.00 N ATOM 491 CZ ARG A 32 -12.723 8.445 -8.420 1.00 0.00 C ATOM 492 NH1 ARG A 32 -12.480 9.160 -9.486 1.00 0.00 N ATOM 493 NH2 ARG A 32 -13.939 8.372 -7.950 1.00 0.00 N ATOM 0 H ARG A 32 -10.944 4.315 -9.530 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.936 5.302 -12.142 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.487 7.502 -10.978 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.817 6.598 -10.281 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.315 5.699 -8.509 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.941 6.514 -9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.678 7.972 -7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.242 8.723 -8.947 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.947 7.226 -6.987 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.532 9.216 -9.857 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.239 9.662 -9.947 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.132 7.812 -7.120 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.696 8.875 -8.413 1.00 0.00 H new ATOM 507 N GLU A 33 -7.989 4.892 -10.830 1.00 0.00 N ATOM 508 CA GLU A 33 -6.556 4.927 -11.095 1.00 0.00 C ATOM 509 C GLU A 33 -5.839 3.883 -10.244 1.00 0.00 C ATOM 510 O GLU A 33 -6.045 3.813 -9.033 1.00 0.00 O ATOM 511 CB GLU A 33 -6.001 6.319 -10.779 1.00 0.00 C ATOM 512 CG GLU A 33 -4.725 6.563 -11.589 1.00 0.00 C ATOM 513 CD GLU A 33 -4.401 8.052 -11.612 1.00 0.00 C ATOM 514 OE1 GLU A 33 -3.851 8.534 -10.635 1.00 0.00 O ATOM 515 OE2 GLU A 33 -4.705 8.690 -12.606 1.00 0.00 O ATOM 0 H GLU A 33 -8.250 4.384 -9.985 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.388 4.703 -12.149 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.745 7.080 -11.016 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.788 6.403 -9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.895 6.008 -11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.854 6.194 -12.607 1.00 0.00 H new ATOM 522 N HIS A 34 -5.002 3.069 -10.881 1.00 0.00 N ATOM 523 CA HIS A 34 -4.276 2.032 -10.156 1.00 0.00 C ATOM 524 C HIS A 34 -2.872 1.847 -10.724 1.00 0.00 C ATOM 525 O HIS A 34 -2.541 2.383 -11.781 1.00 0.00 O ATOM 526 CB HIS A 34 -5.038 0.708 -10.242 1.00 0.00 C ATOM 527 CG HIS A 34 -5.074 0.241 -11.671 1.00 0.00 C ATOM 528 ND1 HIS A 34 -5.908 0.550 -12.717 1.00 0.00 N flip ATOM 529 CD2 HIS A 34 -4.161 -0.674 -12.173 1.00 0.00 C flip ATOM 530 CE1 HIS A 34 -5.523 -0.160 -13.851 1.00 0.00 C flip ATOM 531 NE2 HIS A 34 -4.465 -0.881 -13.467 1.00 0.00 N flip ATOM 0 H HIS A 34 -4.812 3.106 -11.882 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.191 2.342 -9.115 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.556 -0.042 -9.615 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.053 0.835 -9.864 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.353 -1.136 -11.625 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.980 -0.134 -14.829 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.950 -1.512 -14.081 1.00 0.00 H new ATOM 539 N ILE A 35 -2.054 1.081 -10.010 1.00 0.00 N ATOM 540 CA ILE A 35 -0.687 0.820 -10.442 1.00 0.00 C ATOM 541 C ILE A 35 -0.547 -0.632 -10.902 1.00 0.00 C ATOM 542 O ILE A 35 -0.899 -1.554 -10.165 1.00 0.00 O ATOM 543 CB ILE A 35 0.282 1.081 -9.289 1.00 0.00 C ATOM 544 CG1 ILE A 35 -0.037 2.434 -8.650 1.00 0.00 C ATOM 545 CG2 ILE A 35 1.717 1.091 -9.818 1.00 0.00 C ATOM 546 CD1 ILE A 35 1.197 2.956 -7.913 1.00 0.00 C ATOM 0 H ILE A 35 -2.313 0.631 -9.132 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.451 1.484 -11.273 1.00 0.00 H new ATOM 0 HB ILE A 35 0.177 0.294 -8.543 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.344 3.146 -9.416 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.872 2.332 -7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.407 1.277 -8.995 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.945 0.126 -10.271 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.824 1.877 -10.566 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.969 3.920 -7.458 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.484 2.247 -7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.020 3.074 -8.619 1.00 0.00 H new ATOM 558 N PRO A 36 -0.049 -0.856 -12.093 1.00 0.00 N ATOM 559 CA PRO A 36 0.128 -2.233 -12.636 1.00 0.00 C ATOM 560 C PRO A 36 1.305 -2.952 -11.992 1.00 0.00 C ATOM 561 O PRO A 36 1.891 -3.864 -12.577 1.00 0.00 O ATOM 562 CB PRO A 36 0.372 -2.004 -14.123 1.00 0.00 C ATOM 563 CG PRO A 36 0.956 -0.634 -14.225 1.00 0.00 C ATOM 564 CD PRO A 36 0.401 0.170 -13.049 1.00 0.00 C ATOM 0 HA PRO A 36 -0.734 -2.870 -12.437 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.053 -2.752 -14.529 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.557 -2.078 -14.689 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.045 -0.674 -14.187 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.687 -0.168 -15.173 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.163 0.815 -12.612 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.422 0.814 -13.359 1.00 0.00 H new ATOM 572 N GLU A 37 1.641 -2.529 -10.784 1.00 0.00 N ATOM 573 CA GLU A 37 2.751 -3.127 -10.051 1.00 0.00 C ATOM 574 C GLU A 37 2.394 -3.304 -8.579 1.00 0.00 C ATOM 575 O GLU A 37 3.273 -3.330 -7.717 1.00 0.00 O ATOM 576 CB GLU A 37 3.990 -2.239 -10.171 1.00 0.00 C ATOM 577 CG GLU A 37 4.381 -2.101 -11.644 1.00 0.00 C ATOM 578 CD GLU A 37 4.858 -3.444 -12.185 1.00 0.00 C ATOM 579 OE1 GLU A 37 5.391 -4.219 -11.407 1.00 0.00 O ATOM 580 OE2 GLU A 37 4.687 -3.678 -13.370 1.00 0.00 O ATOM 0 H GLU A 37 1.164 -1.776 -10.289 1.00 0.00 H new ATOM 0 HA GLU A 37 2.958 -4.107 -10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.789 -1.257 -9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.815 -2.670 -9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.528 -1.748 -12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.169 -1.356 -11.751 1.00 0.00 H new ATOM 587 N ALA A 38 1.101 -3.425 -8.295 1.00 0.00 N ATOM 588 CA ALA A 38 0.644 -3.597 -6.920 1.00 0.00 C ATOM 589 C ALA A 38 -0.707 -4.306 -6.886 1.00 0.00 C ATOM 590 O ALA A 38 -1.535 -4.129 -7.780 1.00 0.00 O ATOM 591 CB ALA A 38 0.525 -2.235 -6.235 1.00 0.00 C ATOM 0 H ALA A 38 0.356 -3.407 -8.992 1.00 0.00 H new ATOM 0 HA ALA A 38 1.374 -4.208 -6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.183 -2.372 -5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.498 -1.744 -6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.191 -1.617 -6.776 1.00 0.00 H new ATOM 597 N ASP A 39 -0.922 -5.107 -5.848 1.00 0.00 N ATOM 598 CA ASP A 39 -2.177 -5.836 -5.706 1.00 0.00 C ATOM 599 C ASP A 39 -3.219 -4.978 -4.997 1.00 0.00 C ATOM 600 O ASP A 39 -2.878 -4.079 -4.229 1.00 0.00 O ATOM 601 CB ASP A 39 -1.945 -7.125 -4.915 1.00 0.00 C ATOM 602 CG ASP A 39 -0.869 -7.965 -5.596 1.00 0.00 C ATOM 603 OD1 ASP A 39 0.053 -7.382 -6.142 1.00 0.00 O ATOM 604 OD2 ASP A 39 -0.983 -9.179 -5.561 1.00 0.00 O ATOM 0 H ASP A 39 -0.249 -5.267 -5.098 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.547 -6.084 -6.701 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.642 -6.887 -3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.873 -7.693 -4.847 1.00 0.00 H new ATOM 609 N LEU A 40 -4.491 -5.257 -5.264 1.00 0.00 N ATOM 610 CA LEU A 40 -5.576 -4.499 -4.650 1.00 0.00 C ATOM 611 C LEU A 40 -6.307 -5.341 -3.608 1.00 0.00 C ATOM 612 O LEU A 40 -6.793 -6.431 -3.908 1.00 0.00 O ATOM 613 CB LEU A 40 -6.567 -4.047 -5.723 1.00 0.00 C ATOM 614 CG LEU A 40 -7.656 -3.187 -5.080 1.00 0.00 C ATOM 615 CD1 LEU A 40 -7.043 -1.873 -4.591 1.00 0.00 C ATOM 616 CD2 LEU A 40 -8.745 -2.889 -6.113 1.00 0.00 C ATOM 0 H LEU A 40 -4.795 -5.997 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.145 -3.628 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.049 -3.479 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.013 -4.914 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.092 -3.721 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.818 -1.259 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.266 -2.085 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.608 -1.338 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.522 -2.276 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.310 -2.353 -6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.180 -3.825 -6.463 1.00 0.00 H new ATOM 628 N ALA A 41 -6.383 -4.824 -2.385 1.00 0.00 N ATOM 629 CA ALA A 41 -7.062 -5.536 -1.307 1.00 0.00 C ATOM 630 C ALA A 41 -7.386 -4.585 -0.154 1.00 0.00 C ATOM 631 O ALA A 41 -6.538 -4.323 0.698 1.00 0.00 O ATOM 632 CB ALA A 41 -6.177 -6.675 -0.796 1.00 0.00 C ATOM 0 H ALA A 41 -5.987 -3.923 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.993 -5.945 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.690 -7.202 0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.971 -7.369 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.239 -6.266 -0.421 1.00 0.00 H new ATOM 638 N PRO A 42 -8.588 -4.068 -0.113 1.00 0.00 N ATOM 639 CA PRO A 42 -9.020 -3.128 0.962 1.00 0.00 C ATOM 640 C PRO A 42 -8.717 -3.671 2.354 1.00 0.00 C ATOM 641 O PRO A 42 -8.756 -4.879 2.586 1.00 0.00 O ATOM 642 CB PRO A 42 -10.527 -2.977 0.747 1.00 0.00 C ATOM 643 CG PRO A 42 -10.772 -3.351 -0.679 1.00 0.00 C ATOM 644 CD PRO A 42 -9.663 -4.322 -1.084 1.00 0.00 C ATOM 0 HA PRO A 42 -8.488 -2.178 0.906 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.086 -3.624 1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.850 -1.955 0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.752 -3.815 -0.793 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.762 -2.467 -1.317 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.004 -5.356 -1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.328 -4.140 -2.105 1.00 0.00 H new ATOM 652 N LEU A 43 -8.405 -2.766 3.273 1.00 0.00 N ATOM 653 CA LEU A 43 -8.086 -3.154 4.639 1.00 0.00 C ATOM 654 C LEU A 43 -9.307 -3.752 5.331 1.00 0.00 C ATOM 655 O LEU A 43 -9.178 -4.509 6.293 1.00 0.00 O ATOM 656 CB LEU A 43 -7.587 -1.940 5.424 1.00 0.00 C ATOM 657 CG LEU A 43 -8.770 -1.052 5.808 1.00 0.00 C ATOM 658 CD1 LEU A 43 -9.072 -1.226 7.297 1.00 0.00 C ATOM 659 CD2 LEU A 43 -8.418 0.410 5.527 1.00 0.00 C ATOM 0 H LEU A 43 -8.366 -1.762 3.097 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.302 -3.910 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.059 -2.266 6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.875 -1.374 4.823 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.645 -1.335 5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.916 -0.594 7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.318 -2.268 7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.197 -0.940 7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.260 1.046 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.544 0.693 6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.198 0.534 4.467 1.00 0.00 H new ATOM 671 N SER A 44 -10.491 -3.398 4.841 1.00 0.00 N ATOM 672 CA SER A 44 -11.730 -3.895 5.425 1.00 0.00 C ATOM 673 C SER A 44 -11.968 -5.352 5.040 1.00 0.00 C ATOM 674 O SER A 44 -12.593 -6.104 5.786 1.00 0.00 O ATOM 675 CB SER A 44 -12.906 -3.041 4.952 1.00 0.00 C ATOM 676 OG SER A 44 -13.817 -3.853 4.224 1.00 0.00 O ATOM 0 H SER A 44 -10.618 -2.772 4.045 1.00 0.00 H new ATOM 0 HA SER A 44 -11.645 -3.833 6.510 1.00 0.00 H new ATOM 0 HB2 SER A 44 -13.408 -2.589 5.807 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.548 -2.225 4.325 1.00 0.00 H new ATOM 0 HG SER A 44 -14.572 -3.307 3.922 1.00 0.00 H new ATOM 682 N VAL A 45 -11.469 -5.745 3.873 1.00 0.00 N ATOM 683 CA VAL A 45 -11.642 -7.118 3.411 1.00 0.00 C ATOM 684 C VAL A 45 -10.558 -8.022 3.988 1.00 0.00 C ATOM 685 O VAL A 45 -10.748 -9.230 4.121 1.00 0.00 O ATOM 686 CB VAL A 45 -11.603 -7.171 1.882 1.00 0.00 C ATOM 687 CG1 VAL A 45 -12.690 -6.259 1.310 1.00 0.00 C ATOM 688 CG2 VAL A 45 -10.232 -6.709 1.376 1.00 0.00 C ATOM 0 H VAL A 45 -10.948 -5.142 3.237 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.613 -7.474 3.756 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.777 -8.197 1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.661 -6.297 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.667 -6.594 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.517 -5.235 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.213 -6.750 0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.049 -5.686 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.457 -7.362 1.777 1.00 0.00 H new ATOM 698 N LEU A 46 -9.420 -7.426 4.326 1.00 0.00 N ATOM 699 CA LEU A 46 -8.307 -8.183 4.887 1.00 0.00 C ATOM 700 C LEU A 46 -8.473 -8.342 6.395 1.00 0.00 C ATOM 701 O LEU A 46 -8.305 -9.435 6.936 1.00 0.00 O ATOM 702 CB LEU A 46 -6.989 -7.465 4.591 1.00 0.00 C ATOM 703 CG LEU A 46 -5.852 -8.487 4.535 1.00 0.00 C ATOM 704 CD1 LEU A 46 -5.753 -9.066 3.123 1.00 0.00 C ATOM 705 CD2 LEU A 46 -4.534 -7.797 4.896 1.00 0.00 C ATOM 0 H LEU A 46 -9.244 -6.427 4.222 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.295 -9.172 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.059 -6.931 3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.786 -6.722 5.362 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.050 -9.292 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.943 -9.794 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.692 -9.554 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.553 -8.263 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.721 -8.522 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.338 -6.993 4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.604 -7.383 5.902 1.00 0.00 H new ATOM 717 N GLU A 47 -8.800 -7.244 7.067 1.00 0.00 N ATOM 718 CA GLU A 47 -8.984 -7.273 8.513 1.00 0.00 C ATOM 719 C GLU A 47 -10.141 -8.192 8.891 1.00 0.00 C ATOM 720 O GLU A 47 -10.133 -8.811 9.955 1.00 0.00 O ATOM 721 CB GLU A 47 -9.261 -5.861 9.031 1.00 0.00 C ATOM 722 CG GLU A 47 -9.287 -5.876 10.561 1.00 0.00 C ATOM 723 CD GLU A 47 -10.463 -5.049 11.070 1.00 0.00 C ATOM 724 OE1 GLU A 47 -11.564 -5.265 10.591 1.00 0.00 O ATOM 725 OE2 GLU A 47 -10.246 -4.213 11.930 1.00 0.00 O ATOM 0 H GLU A 47 -8.942 -6.330 6.638 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.070 -7.656 8.968 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.492 -5.174 8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.214 -5.500 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.369 -6.901 10.922 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.353 -5.474 10.953 1.00 0.00 H new ATOM 732 N GLN A 48 -11.135 -8.277 8.012 1.00 0.00 N ATOM 733 CA GLN A 48 -12.294 -9.124 8.265 1.00 0.00 C ATOM 734 C GLN A 48 -12.018 -10.558 7.828 1.00 0.00 C ATOM 735 O GLN A 48 -12.557 -11.507 8.399 1.00 0.00 O ATOM 736 CB GLN A 48 -13.511 -8.584 7.511 1.00 0.00 C ATOM 737 CG GLN A 48 -14.041 -7.337 8.222 1.00 0.00 C ATOM 738 CD GLN A 48 -15.217 -7.709 9.119 1.00 0.00 C ATOM 739 OE1 GLN A 48 -16.361 -7.736 8.664 1.00 0.00 O ATOM 740 NE2 GLN A 48 -15.004 -7.996 10.374 1.00 0.00 N ATOM 0 H GLN A 48 -11.161 -7.774 7.125 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.497 -9.116 9.336 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.237 -8.341 6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.289 -9.346 7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.249 -6.883 8.817 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.354 -6.595 7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.056 -7.973 10.749 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -15.786 -8.243 10.980 1.00 0.00 H new ATOM 749 N SER A 49 -11.177 -10.711 6.811 1.00 0.00 N ATOM 750 CA SER A 49 -10.839 -12.037 6.305 1.00 0.00 C ATOM 751 C SER A 49 -9.552 -12.545 6.945 1.00 0.00 C ATOM 752 O SER A 49 -9.574 -13.456 7.773 1.00 0.00 O ATOM 753 CB SER A 49 -10.671 -11.990 4.786 1.00 0.00 C ATOM 754 OG SER A 49 -11.762 -11.280 4.216 1.00 0.00 O ATOM 0 H SER A 49 -10.720 -9.940 6.324 1.00 0.00 H new ATOM 0 HA SER A 49 -11.651 -12.718 6.560 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.730 -11.504 4.527 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.629 -13.001 4.382 1.00 0.00 H new ATOM 0 HG SER A 49 -11.635 -10.318 4.355 1.00 0.00 H new ATOM 760 N GLY A 50 -8.432 -11.949 6.553 1.00 0.00 N ATOM 761 CA GLY A 50 -7.137 -12.349 7.089 1.00 0.00 C ATOM 762 C GLY A 50 -6.467 -13.363 6.173 1.00 0.00 C ATOM 763 O GLY A 50 -6.618 -14.571 6.354 1.00 0.00 O ATOM 0 H GLY A 50 -8.394 -11.192 5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.497 -11.473 7.200 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.266 -12.778 8.083 1.00 0.00 H new ATOM 767 N LEU A 51 -5.734 -12.866 5.183 1.00 0.00 N ATOM 768 CA LEU A 51 -5.052 -13.737 4.236 1.00 0.00 C ATOM 769 C LEU A 51 -3.536 -13.642 4.406 1.00 0.00 C ATOM 770 O LEU A 51 -2.864 -12.911 3.678 1.00 0.00 O ATOM 771 CB LEU A 51 -5.441 -13.338 2.813 1.00 0.00 C ATOM 772 CG LEU A 51 -5.788 -14.588 2.002 1.00 0.00 C ATOM 773 CD1 LEU A 51 -4.687 -15.637 2.178 1.00 0.00 C ATOM 774 CD2 LEU A 51 -7.121 -15.160 2.494 1.00 0.00 C ATOM 0 H LEU A 51 -5.598 -11.869 5.017 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.353 -14.767 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.294 -12.660 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.619 -12.802 2.338 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.871 -14.324 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.936 -16.527 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.738 -15.231 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.602 -15.902 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.370 -16.051 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.037 -15.422 3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.906 -14.414 2.367 1.00 0.00 H new ATOM 786 N PRO A 52 -2.996 -14.364 5.351 1.00 0.00 N ATOM 787 CA PRO A 52 -1.530 -14.368 5.627 1.00 0.00 C ATOM 788 C PRO A 52 -0.695 -14.473 4.354 1.00 0.00 C ATOM 789 O PRO A 52 0.528 -14.344 4.391 1.00 0.00 O ATOM 790 CB PRO A 52 -1.337 -15.600 6.511 1.00 0.00 C ATOM 791 CG PRO A 52 -2.644 -15.795 7.204 1.00 0.00 C ATOM 792 CD PRO A 52 -3.727 -15.260 6.262 1.00 0.00 C ATOM 0 HA PRO A 52 -1.201 -13.441 6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.073 -16.474 5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.530 -15.447 7.228 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.811 -16.849 7.426 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.661 -15.262 8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.218 -16.067 5.719 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.504 -14.726 6.809 1.00 0.00 H new ATOM 800 N ALA A 53 -1.361 -14.705 3.228 1.00 0.00 N ATOM 801 CA ALA A 53 -0.662 -14.822 1.953 1.00 0.00 C ATOM 802 C ALA A 53 0.400 -13.737 1.828 1.00 0.00 C ATOM 803 O ALA A 53 1.425 -13.934 1.175 1.00 0.00 O ATOM 804 CB ALA A 53 -1.656 -14.706 0.796 1.00 0.00 C ATOM 0 H ALA A 53 -2.373 -14.815 3.171 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.177 -15.797 1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.124 -14.795 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.397 -15.502 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.156 -13.739 0.842 1.00 0.00 H new ATOM 810 N LYS A 54 0.156 -12.598 2.465 1.00 0.00 N ATOM 811 CA LYS A 54 1.110 -11.501 2.420 1.00 0.00 C ATOM 812 C LYS A 54 2.465 -11.972 2.938 1.00 0.00 C ATOM 813 O LYS A 54 3.453 -11.239 2.889 1.00 0.00 O ATOM 814 CB LYS A 54 0.610 -10.332 3.270 1.00 0.00 C ATOM 815 CG LYS A 54 1.618 -9.183 3.198 1.00 0.00 C ATOM 816 CD LYS A 54 2.376 -9.081 4.524 1.00 0.00 C ATOM 817 CE LYS A 54 1.381 -8.826 5.659 1.00 0.00 C ATOM 818 NZ LYS A 54 1.864 -7.695 6.499 1.00 0.00 N ATOM 0 H LYS A 54 -0.685 -12.412 3.012 1.00 0.00 H new ATOM 0 HA LYS A 54 1.215 -11.168 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.364 -9.999 2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.478 -10.650 4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.318 -9.351 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.102 -8.246 2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.930 -10.001 4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.106 -8.273 4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.398 -8.595 5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.270 -9.723 6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.509 -7.808 7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.904 -7.689 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.516 -6.797 6.106 1.00 0.00 H new ATOM 832 N LEU A 55 2.498 -13.207 3.431 1.00 0.00 N ATOM 833 CA LEU A 55 3.731 -13.781 3.954 1.00 0.00 C ATOM 834 C LEU A 55 4.441 -14.592 2.876 1.00 0.00 C ATOM 835 O LEU A 55 5.586 -15.008 3.053 1.00 0.00 O ATOM 836 CB LEU A 55 3.426 -14.684 5.151 1.00 0.00 C ATOM 837 CG LEU A 55 3.354 -13.841 6.425 1.00 0.00 C ATOM 838 CD1 LEU A 55 2.340 -12.712 6.236 1.00 0.00 C ATOM 839 CD2 LEU A 55 2.919 -14.726 7.595 1.00 0.00 C ATOM 0 H LEU A 55 1.689 -13.826 3.479 1.00 0.00 H new ATOM 0 HA LEU A 55 4.380 -12.965 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.482 -15.206 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.199 -15.446 5.251 1.00 0.00 H new ATOM 0 HG LEU A 55 4.335 -13.415 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.290 -12.112 7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.648 -12.082 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.358 -13.136 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.867 -14.127 8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.938 -15.152 7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.642 -15.530 7.731 1.00 0.00 H new ATOM 851 N ARG A 56 3.755 -14.813 1.759 1.00 0.00 N ATOM 852 CA ARG A 56 4.340 -15.576 0.662 1.00 0.00 C ATOM 853 C ARG A 56 5.565 -14.860 0.117 1.00 0.00 C ATOM 854 O ARG A 56 6.132 -15.251 -0.903 1.00 0.00 O ATOM 855 CB ARG A 56 3.313 -15.775 -0.454 1.00 0.00 C ATOM 856 CG ARG A 56 2.397 -16.950 -0.103 1.00 0.00 C ATOM 857 CD ARG A 56 1.175 -16.935 -1.022 1.00 0.00 C ATOM 858 NE ARG A 56 1.334 -15.918 -2.054 1.00 0.00 N ATOM 859 CZ ARG A 56 2.061 -16.149 -3.141 1.00 0.00 C ATOM 860 NH1 ARG A 56 2.640 -17.308 -3.304 1.00 0.00 N ATOM 861 NH2 ARG A 56 2.194 -15.220 -4.047 1.00 0.00 N ATOM 0 H ARG A 56 2.806 -14.480 1.590 1.00 0.00 H new ATOM 0 HA ARG A 56 4.641 -16.552 1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.724 -14.868 -0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.820 -15.966 -1.400 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.936 -17.891 -0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.083 -16.882 0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.045 -17.914 -1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.275 -16.735 -0.440 1.00 0.00 H new ATOM 0 HE ARG A 56 0.879 -15.013 -1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.534 -18.035 -2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.199 -17.486 -4.139 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.739 -14.316 -3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.753 -15.398 -4.882 1.00 0.00 H new ATOM 875 N HIS A 57 5.965 -13.813 0.818 1.00 0.00 N ATOM 876 CA HIS A 57 7.132 -13.030 0.425 1.00 0.00 C ATOM 877 C HIS A 57 8.009 -12.743 1.641 1.00 0.00 C ATOM 878 O HIS A 57 8.114 -13.565 2.550 1.00 0.00 O ATOM 879 CB HIS A 57 6.688 -11.709 -0.208 1.00 0.00 C ATOM 880 CG HIS A 57 7.735 -11.241 -1.183 1.00 0.00 C ATOM 881 ND1 HIS A 57 8.509 -12.125 -1.919 1.00 0.00 N ATOM 882 CD2 HIS A 57 8.145 -9.984 -1.554 1.00 0.00 C ATOM 883 CE1 HIS A 57 9.337 -11.393 -2.689 1.00 0.00 C ATOM 884 NE2 HIS A 57 9.156 -10.083 -2.505 1.00 0.00 N ATOM 0 H HIS A 57 5.501 -13.482 1.664 1.00 0.00 H new ATOM 0 HA HIS A 57 7.706 -13.604 -0.302 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.734 -11.841 -0.718 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.534 -10.957 0.566 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.744 -9.059 -1.167 1.00 0.00 H new ATOM 0 HE1 HIS A 57 10.059 -11.814 -3.372 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.652 -9.319 -2.963 1.00 0.00 H new ATOM 892 N GLU A 58 8.629 -11.568 1.652 1.00 0.00 N ATOM 893 CA GLU A 58 9.488 -11.176 2.765 1.00 0.00 C ATOM 894 C GLU A 58 9.360 -9.681 3.021 1.00 0.00 C ATOM 895 O GLU A 58 9.238 -9.242 4.164 1.00 0.00 O ATOM 896 CB GLU A 58 10.947 -11.524 2.458 1.00 0.00 C ATOM 897 CG GLU A 58 11.853 -10.901 3.521 1.00 0.00 C ATOM 898 CD GLU A 58 13.198 -11.619 3.544 1.00 0.00 C ATOM 899 OE1 GLU A 58 13.698 -11.932 2.476 1.00 0.00 O ATOM 900 OE2 GLU A 58 13.709 -11.845 4.629 1.00 0.00 O ATOM 0 H GLU A 58 8.554 -10.874 0.908 1.00 0.00 H new ATOM 0 HA GLU A 58 9.174 -11.721 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.078 -12.606 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.220 -11.154 1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.000 -9.842 3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.379 -10.968 4.500 1.00 0.00 H new ATOM 907 N GLN A 59 9.366 -8.907 1.944 1.00 0.00 N ATOM 908 CA GLN A 59 9.228 -7.462 2.053 1.00 0.00 C ATOM 909 C GLN A 59 7.886 -7.046 1.468 1.00 0.00 C ATOM 910 O GLN A 59 7.505 -7.500 0.388 1.00 0.00 O ATOM 911 CB GLN A 59 10.364 -6.762 1.300 1.00 0.00 C ATOM 912 CG GLN A 59 11.193 -5.927 2.281 1.00 0.00 C ATOM 913 CD GLN A 59 12.130 -4.999 1.516 1.00 0.00 C ATOM 914 OE1 GLN A 59 11.719 -4.365 0.544 1.00 0.00 O ATOM 915 NE2 GLN A 59 13.371 -4.879 1.899 1.00 0.00 N ATOM 0 H GLN A 59 9.464 -9.254 0.990 1.00 0.00 H new ATOM 0 HA GLN A 59 9.278 -7.172 3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.998 -7.501 0.809 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.955 -6.123 0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.533 -5.343 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 59 11.770 -6.583 2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.709 -5.405 2.705 1.00 0.00 H new ATOM 0 HE22 GLN A 59 14.003 -4.259 1.393 1.00 0.00 H new ATOM 924 N ILE A 60 7.160 -6.203 2.190 1.00 0.00 N ATOM 925 CA ILE A 60 5.851 -5.770 1.725 1.00 0.00 C ATOM 926 C ILE A 60 5.631 -4.286 1.988 1.00 0.00 C ATOM 927 O ILE A 60 6.127 -3.733 2.970 1.00 0.00 O ATOM 928 CB ILE A 60 4.765 -6.583 2.432 1.00 0.00 C ATOM 929 CG1 ILE A 60 5.232 -8.034 2.566 1.00 0.00 C ATOM 930 CG2 ILE A 60 3.472 -6.536 1.616 1.00 0.00 C ATOM 931 CD1 ILE A 60 6.128 -8.173 3.797 1.00 0.00 C ATOM 0 H ILE A 60 7.450 -5.811 3.086 1.00 0.00 H new ATOM 0 HA ILE A 60 5.800 -5.934 0.649 1.00 0.00 H new ATOM 0 HB ILE A 60 4.580 -6.163 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.371 -8.697 2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.777 -8.335 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.701 -7.116 2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.142 -5.502 1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.651 -6.956 0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.460 -9.207 3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.996 -7.522 3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.568 -7.889 4.688 1.00 0.00 H new ATOM 943 N ILE A 61 4.876 -3.652 1.099 1.00 0.00 N ATOM 944 CA ILE A 61 4.574 -2.234 1.226 1.00 0.00 C ATOM 945 C ILE A 61 3.074 -2.007 1.074 1.00 0.00 C ATOM 946 O ILE A 61 2.428 -2.630 0.231 1.00 0.00 O ATOM 947 CB ILE A 61 5.325 -1.440 0.153 1.00 0.00 C ATOM 948 CG1 ILE A 61 6.767 -1.945 0.065 1.00 0.00 C ATOM 949 CG2 ILE A 61 5.328 0.045 0.521 1.00 0.00 C ATOM 950 CD1 ILE A 61 7.460 -1.302 -1.138 1.00 0.00 C ATOM 0 H ILE A 61 4.462 -4.099 0.281 1.00 0.00 H new ATOM 0 HA ILE A 61 4.892 -1.893 2.211 1.00 0.00 H new ATOM 0 HB ILE A 61 4.831 -1.573 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.305 -1.702 0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.778 -3.031 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.863 0.608 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.302 0.406 0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.822 0.180 1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.487 -1.661 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.926 -1.568 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.461 -0.218 -1.021 1.00 0.00 H new ATOM 962 N PHE A 62 2.524 -1.118 1.891 1.00 0.00 N ATOM 963 CA PHE A 62 1.099 -0.825 1.830 1.00 0.00 C ATOM 964 C PHE A 62 0.878 0.655 1.561 1.00 0.00 C ATOM 965 O PHE A 62 1.556 1.506 2.138 1.00 0.00 O ATOM 966 CB PHE A 62 0.423 -1.218 3.146 1.00 0.00 C ATOM 967 CG PHE A 62 -0.124 -2.621 3.029 1.00 0.00 C ATOM 968 CD1 PHE A 62 -1.346 -2.843 2.382 1.00 0.00 C ATOM 969 CD2 PHE A 62 0.590 -3.699 3.565 1.00 0.00 C ATOM 970 CE1 PHE A 62 -1.852 -4.143 2.271 1.00 0.00 C ATOM 971 CE2 PHE A 62 0.084 -4.999 3.455 1.00 0.00 C ATOM 972 CZ PHE A 62 -1.138 -5.221 2.807 1.00 0.00 C ATOM 0 H PHE A 62 3.038 -0.592 2.598 1.00 0.00 H new ATOM 0 HA PHE A 62 0.660 -1.403 1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.139 -1.162 3.966 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.382 -0.520 3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.898 -2.011 1.969 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.532 -3.527 4.064 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.794 -4.315 1.771 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.635 -5.830 3.869 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.529 -6.224 2.721 1.00 0.00 H new ATOM 982 N HIS A 63 -0.065 0.961 0.678 1.00 0.00 N ATOM 983 CA HIS A 63 -0.347 2.353 0.346 1.00 0.00 C ATOM 984 C HIS A 63 -1.838 2.649 0.444 1.00 0.00 C ATOM 985 O HIS A 63 -2.669 1.886 -0.052 1.00 0.00 O ATOM 986 CB HIS A 63 0.149 2.666 -1.067 1.00 0.00 C ATOM 987 CG HIS A 63 0.148 1.407 -1.891 1.00 0.00 C ATOM 988 ND1 HIS A 63 -0.525 1.317 -3.100 1.00 0.00 N ATOM 989 CD2 HIS A 63 0.733 0.181 -1.694 1.00 0.00 C ATOM 990 CE1 HIS A 63 -0.330 0.075 -3.580 1.00 0.00 C ATOM 991 NE2 HIS A 63 0.430 -0.658 -2.762 1.00 0.00 N ATOM 0 H HIS A 63 -0.639 0.277 0.186 1.00 0.00 H new ATOM 0 HA HIS A 63 0.177 2.984 1.064 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.491 3.417 -1.530 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.154 3.086 -1.026 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -1.069 2.057 -3.544 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.336 -0.091 -0.840 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.738 -0.285 -4.513 1.00 0.00 H new ATOM 999 N CYS A 64 -2.167 3.766 1.083 1.00 0.00 N ATOM 1000 CA CYS A 64 -3.559 4.168 1.242 1.00 0.00 C ATOM 1001 C CYS A 64 -3.818 5.483 0.512 1.00 0.00 C ATOM 1002 O CYS A 64 -2.906 6.288 0.324 1.00 0.00 O ATOM 1003 CB CYS A 64 -3.894 4.326 2.726 1.00 0.00 C ATOM 1004 SG CYS A 64 -3.573 2.766 3.587 1.00 0.00 S ATOM 0 H CYS A 64 -1.491 4.407 1.498 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.195 3.394 0.812 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -3.294 5.125 3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -4.939 4.611 2.845 1.00 0.00 H new ATOM 0 HG CYS A 64 -2.368 2.361 3.317 1.00 0.00 H new ATOM 1010 N GLN A 65 -5.066 5.693 0.103 1.00 0.00 N ATOM 1011 CA GLN A 65 -5.432 6.914 -0.609 1.00 0.00 C ATOM 1012 C GLN A 65 -4.500 8.062 -0.233 1.00 0.00 C ATOM 1013 O GLN A 65 -3.682 8.499 -1.043 1.00 0.00 O ATOM 1014 CB GLN A 65 -6.875 7.300 -0.276 1.00 0.00 C ATOM 1015 CG GLN A 65 -7.150 8.723 -0.768 1.00 0.00 C ATOM 1016 CD GLN A 65 -8.653 8.951 -0.889 1.00 0.00 C ATOM 1017 OE1 GLN A 65 -9.442 8.043 -0.625 1.00 0.00 O ATOM 1018 NE2 GLN A 65 -9.100 10.116 -1.272 1.00 0.00 N ATOM 0 H GLN A 65 -5.835 5.040 0.251 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.341 6.725 -1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.567 6.601 -0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.040 7.238 0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.719 9.446 -0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.671 8.882 -1.734 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.445 10.867 -1.490 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.104 10.275 -1.353 1.00 0.00 H new ATOM 1027 N ALA A 66 -4.628 8.547 0.997 1.00 0.00 N ATOM 1028 CA ALA A 66 -3.791 9.646 1.465 1.00 0.00 C ATOM 1029 C ALA A 66 -2.657 9.122 2.340 1.00 0.00 C ATOM 1030 O ALA A 66 -1.489 9.443 2.119 1.00 0.00 O ATOM 1031 CB ALA A 66 -4.635 10.644 2.259 1.00 0.00 C ATOM 0 H ALA A 66 -5.298 8.200 1.684 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.361 10.146 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.002 11.461 2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.425 11.041 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.080 10.142 3.118 1.00 0.00 H new ATOM 1037 N GLY A 67 -3.010 8.314 3.335 1.00 0.00 N ATOM 1038 CA GLY A 67 -2.014 7.751 4.239 1.00 0.00 C ATOM 1039 C GLY A 67 -2.571 7.628 5.652 1.00 0.00 C ATOM 1040 O GLY A 67 -2.026 6.901 6.483 1.00 0.00 O ATOM 0 H GLY A 67 -3.971 8.036 3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.704 6.770 3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.126 8.383 4.247 1.00 0.00 H new ATOM 1044 N LYS A 68 -3.659 8.344 5.919 1.00 0.00 N ATOM 1045 CA LYS A 68 -4.280 8.305 7.238 1.00 0.00 C ATOM 1046 C LYS A 68 -4.701 6.882 7.590 1.00 0.00 C ATOM 1047 O LYS A 68 -4.602 6.463 8.743 1.00 0.00 O ATOM 1048 CB LYS A 68 -5.501 9.227 7.267 1.00 0.00 C ATOM 1049 CG LYS A 68 -5.466 10.085 8.533 1.00 0.00 C ATOM 1050 CD LYS A 68 -4.460 11.223 8.352 1.00 0.00 C ATOM 1051 CE LYS A 68 -3.951 11.678 9.722 1.00 0.00 C ATOM 1052 NZ LYS A 68 -4.934 11.291 10.772 1.00 0.00 N ATOM 0 H LYS A 68 -4.125 8.953 5.246 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.552 8.646 7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.509 9.865 6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.416 8.636 7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.457 10.491 8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.189 9.474 9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.626 10.890 7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.929 12.058 7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.982 11.224 9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.804 12.758 9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.780 11.870 11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.899 11.446 10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.810 10.286 11.010 1.00 0.00 H new ATOM 1066 N ARG A 69 -5.167 6.141 6.588 1.00 0.00 N ATOM 1067 CA ARG A 69 -5.593 4.764 6.808 1.00 0.00 C ATOM 1068 C ARG A 69 -4.401 3.900 7.202 1.00 0.00 C ATOM 1069 O ARG A 69 -4.472 3.124 8.155 1.00 0.00 O ATOM 1070 CB ARG A 69 -6.238 4.199 5.537 1.00 0.00 C ATOM 1071 CG ARG A 69 -7.707 3.868 5.810 1.00 0.00 C ATOM 1072 CD ARG A 69 -8.391 3.458 4.505 1.00 0.00 C ATOM 1073 NE ARG A 69 -8.963 4.626 3.847 1.00 0.00 N ATOM 1074 CZ ARG A 69 -10.126 5.136 4.241 1.00 0.00 C ATOM 1075 NH1 ARG A 69 -10.777 4.588 5.230 1.00 0.00 N ATOM 1076 NH2 ARG A 69 -10.616 6.183 3.636 1.00 0.00 N ATOM 0 H ARG A 69 -5.258 6.467 5.626 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.325 4.754 7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.163 4.923 4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.707 3.303 5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.779 3.061 6.539 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.211 4.733 6.241 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.670 2.976 3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.174 2.728 4.710 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.463 5.060 3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.394 3.768 5.701 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.669 4.979 5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.107 6.609 2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.508 6.575 3.937 1.00 0.00 H new ATOM 1090 N THR A 70 -3.307 4.041 6.462 1.00 0.00 N ATOM 1091 CA THR A 70 -2.102 3.270 6.741 1.00 0.00 C ATOM 1092 C THR A 70 -1.745 3.353 8.222 1.00 0.00 C ATOM 1093 O THR A 70 -1.529 2.333 8.876 1.00 0.00 O ATOM 1094 CB THR A 70 -0.938 3.802 5.901 1.00 0.00 C ATOM 1095 OG1 THR A 70 -1.444 4.367 4.700 1.00 0.00 O ATOM 1096 CG2 THR A 70 0.016 2.655 5.565 1.00 0.00 C ATOM 0 H THR A 70 -3.230 4.678 5.669 1.00 0.00 H new ATOM 0 HA THR A 70 -2.290 2.228 6.483 1.00 0.00 H new ATOM 0 HB THR A 70 -0.401 4.565 6.464 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.082 3.747 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.845 3.034 4.967 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.403 2.221 6.487 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.518 1.891 5.001 1.00 0.00 H new ATOM 1104 N SER A 71 -1.686 4.574 8.745 1.00 0.00 N ATOM 1105 CA SER A 71 -1.354 4.776 10.150 1.00 0.00 C ATOM 1106 C SER A 71 -2.396 4.117 11.048 1.00 0.00 C ATOM 1107 O SER A 71 -2.114 3.777 12.197 1.00 0.00 O ATOM 1108 CB SER A 71 -1.282 6.271 10.461 1.00 0.00 C ATOM 1109 OG SER A 71 -2.541 6.869 10.187 1.00 0.00 O ATOM 0 H SER A 71 -1.862 5.432 8.222 1.00 0.00 H new ATOM 0 HA SER A 71 -0.384 4.318 10.343 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.014 6.424 11.506 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.504 6.742 9.860 1.00 0.00 H new ATOM 0 HG SER A 71 -3.037 6.312 9.551 1.00 0.00 H new ATOM 1115 N ASN A 72 -3.601 3.938 10.516 1.00 0.00 N ATOM 1116 CA ASN A 72 -4.677 3.317 11.279 1.00 0.00 C ATOM 1117 C ASN A 72 -4.615 1.797 11.158 1.00 0.00 C ATOM 1118 O ASN A 72 -4.717 1.080 12.153 1.00 0.00 O ATOM 1119 CB ASN A 72 -6.032 3.815 10.770 1.00 0.00 C ATOM 1120 CG ASN A 72 -6.224 5.280 11.146 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -6.242 6.148 10.274 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -6.370 5.608 12.400 1.00 0.00 N ATOM 0 H ASN A 72 -3.855 4.212 9.567 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.558 3.591 12.327 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.088 3.698 9.688 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.834 3.213 11.198 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -6.499 6.586 12.660 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.355 4.887 13.121 1.00 0.00 H new ATOM 1129 N ASN A 73 -4.445 1.313 9.932 1.00 0.00 N ATOM 1130 CA ASN A 73 -4.371 -0.124 9.688 1.00 0.00 C ATOM 1131 C ASN A 73 -2.947 -0.630 9.895 1.00 0.00 C ATOM 1132 O ASN A 73 -2.720 -1.833 10.030 1.00 0.00 O ATOM 1133 CB ASN A 73 -4.822 -0.434 8.259 1.00 0.00 C ATOM 1134 CG ASN A 73 -5.328 -1.870 8.171 1.00 0.00 C ATOM 1135 OD1 ASN A 73 -4.930 -2.615 7.276 1.00 0.00 O ATOM 1136 ND2 ASN A 73 -6.190 -2.304 9.050 1.00 0.00 N ATOM 0 H ASN A 73 -4.356 1.890 9.096 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.030 -0.628 10.395 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.610 0.257 7.960 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.992 -0.289 7.568 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.535 -3.262 8.996 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.518 -1.685 9.791 1.00 0.00 H new ATOM 1143 N ALA A 74 -1.992 0.294 9.917 1.00 0.00 N ATOM 1144 CA ALA A 74 -0.593 -0.071 10.107 1.00 0.00 C ATOM 1145 C ALA A 74 -0.449 -1.065 11.255 1.00 0.00 C ATOM 1146 O ALA A 74 0.451 -1.906 11.251 1.00 0.00 O ATOM 1147 CB ALA A 74 0.236 1.180 10.406 1.00 0.00 C ATOM 0 H ALA A 74 -2.159 1.294 9.806 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.231 -0.537 9.191 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.280 0.900 10.547 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.157 1.877 9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.137 1.656 11.313 1.00 0.00 H new ATOM 1153 N ASP A 75 -1.337 -0.961 12.237 1.00 0.00 N ATOM 1154 CA ASP A 75 -1.297 -1.855 13.388 1.00 0.00 C ATOM 1155 C ASP A 75 -1.745 -3.259 12.996 1.00 0.00 C ATOM 1156 O ASP A 75 -1.199 -4.252 13.475 1.00 0.00 O ATOM 1157 CB ASP A 75 -2.207 -1.321 14.496 1.00 0.00 C ATOM 1158 CG ASP A 75 -1.572 -0.097 15.148 1.00 0.00 C ATOM 1159 OD1 ASP A 75 -0.417 0.169 14.863 1.00 0.00 O ATOM 1160 OD2 ASP A 75 -2.252 0.556 15.923 1.00 0.00 O ATOM 0 H ASP A 75 -2.088 -0.272 12.260 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.270 -1.902 13.749 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.181 -1.059 14.083 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.376 -2.095 15.244 1.00 0.00 H new ATOM 1165 N LYS A 76 -2.745 -3.334 12.122 1.00 0.00 N ATOM 1166 CA LYS A 76 -3.259 -4.623 11.675 1.00 0.00 C ATOM 1167 C LYS A 76 -2.283 -5.284 10.708 1.00 0.00 C ATOM 1168 O LYS A 76 -2.245 -6.509 10.590 1.00 0.00 O ATOM 1169 CB LYS A 76 -4.614 -4.436 10.989 1.00 0.00 C ATOM 1170 CG LYS A 76 -5.627 -3.885 11.994 1.00 0.00 C ATOM 1171 CD LYS A 76 -6.094 -5.010 12.921 1.00 0.00 C ATOM 1172 CE LYS A 76 -7.442 -4.636 13.540 1.00 0.00 C ATOM 1173 NZ LYS A 76 -7.230 -3.637 14.625 1.00 0.00 N ATOM 0 H LYS A 76 -3.211 -2.524 11.713 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.379 -5.266 12.547 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.515 -3.752 10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.965 -5.387 10.589 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.176 -3.083 12.578 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.480 -3.456 11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.184 -5.942 12.362 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.356 -5.179 13.705 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.103 -4.225 12.777 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.930 -5.525 13.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.146 -3.382 15.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.614 -4.045 15.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.782 -2.786 14.230 1.00 0.00 H new ATOM 1187 N LEU A 77 -1.497 -4.467 10.015 1.00 0.00 N ATOM 1188 CA LEU A 77 -0.526 -4.985 9.058 1.00 0.00 C ATOM 1189 C LEU A 77 0.683 -5.570 9.783 1.00 0.00 C ATOM 1190 O LEU A 77 1.014 -6.743 9.610 1.00 0.00 O ATOM 1191 CB LEU A 77 -0.070 -3.867 8.119 1.00 0.00 C ATOM 1192 CG LEU A 77 -1.282 -3.298 7.381 1.00 0.00 C ATOM 1193 CD1 LEU A 77 -0.856 -2.070 6.572 1.00 0.00 C ATOM 1194 CD2 LEU A 77 -1.845 -4.361 6.434 1.00 0.00 C ATOM 0 H LEU A 77 -1.513 -3.450 10.097 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.003 -5.774 8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.426 -3.080 8.687 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.657 -4.252 7.404 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.046 -3.011 8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.720 -1.664 6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.452 -1.313 7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.093 -2.357 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.709 -3.957 5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.080 -4.647 5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.147 -5.237 7.008 1.00 0.00 H new ATOM 1206 N ALA A 78 1.339 -4.745 10.592 1.00 0.00 N ATOM 1207 CA ALA A 78 2.509 -5.194 11.336 1.00 0.00 C ATOM 1208 C ALA A 78 2.182 -6.446 12.147 1.00 0.00 C ATOM 1209 O ALA A 78 3.069 -7.230 12.482 1.00 0.00 O ATOM 1210 CB ALA A 78 2.987 -4.085 12.276 1.00 0.00 C ATOM 0 H ALA A 78 1.083 -3.770 10.748 1.00 0.00 H new ATOM 0 HA ALA A 78 3.299 -5.433 10.624 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.862 -4.428 12.829 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.249 -3.202 11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.191 -3.834 12.977 1.00 0.00 H new ATOM 1216 N ALA A 79 0.901 -6.626 12.457 1.00 0.00 N ATOM 1217 CA ALA A 79 0.468 -7.786 13.227 1.00 0.00 C ATOM 1218 C ALA A 79 0.513 -9.047 12.371 1.00 0.00 C ATOM 1219 O ALA A 79 0.923 -10.110 12.836 1.00 0.00 O ATOM 1220 CB ALA A 79 -0.956 -7.570 13.741 1.00 0.00 C ATOM 0 H ALA A 79 0.151 -5.989 12.189 1.00 0.00 H new ATOM 0 HA ALA A 79 1.146 -7.909 14.072 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.272 -8.441 14.315 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.983 -6.686 14.378 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.630 -7.428 12.896 1.00 0.00 H new ATOM 1226 N ILE A 80 0.090 -8.921 11.117 1.00 0.00 N ATOM 1227 CA ILE A 80 0.087 -10.058 10.204 1.00 0.00 C ATOM 1228 C ILE A 80 1.447 -10.211 9.532 1.00 0.00 C ATOM 1229 O ILE A 80 1.999 -11.310 9.470 1.00 0.00 O ATOM 1230 CB ILE A 80 -0.996 -9.869 9.140 1.00 0.00 C ATOM 1231 CG1 ILE A 80 -2.331 -9.564 9.822 1.00 0.00 C ATOM 1232 CG2 ILE A 80 -1.127 -11.149 8.313 1.00 0.00 C ATOM 1233 CD1 ILE A 80 -3.381 -9.219 8.764 1.00 0.00 C ATOM 0 H ILE A 80 -0.253 -8.050 10.712 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.122 -10.961 10.778 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.723 -9.041 8.486 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.658 -10.425 10.406 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.214 -8.733 10.517 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.899 -11.015 7.555 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.176 -11.368 7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.400 -11.978 8.966 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.331 -9.002 9.252 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.055 -8.345 8.199 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.506 -10.063 8.086 1.00 0.00 H new ATOM 1245 N ALA A 81 1.983 -9.103 9.032 1.00 0.00 N ATOM 1246 CA ALA A 81 3.281 -9.125 8.367 1.00 0.00 C ATOM 1247 C ALA A 81 4.288 -9.933 9.181 1.00 0.00 C ATOM 1248 O ALA A 81 5.233 -10.496 8.631 1.00 0.00 O ATOM 1249 CB ALA A 81 3.797 -7.697 8.186 1.00 0.00 C ATOM 0 H ALA A 81 1.542 -8.184 9.074 1.00 0.00 H new ATOM 0 HA ALA A 81 3.161 -9.595 7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.767 -7.721 7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.092 -7.130 7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.901 -7.221 9.161 1.00 0.00 H new ATOM 1255 N ALA A 82 4.079 -9.983 10.492 1.00 0.00 N ATOM 1256 CA ALA A 82 4.977 -10.724 11.371 1.00 0.00 C ATOM 1257 C ALA A 82 6.342 -10.054 11.430 1.00 0.00 C ATOM 1258 O ALA A 82 6.606 -9.094 10.706 1.00 0.00 O ATOM 1259 CB ALA A 82 5.131 -12.163 10.871 1.00 0.00 C ATOM 0 H ALA A 82 3.302 -9.523 10.967 1.00 0.00 H new ATOM 0 HA ALA A 82 4.547 -10.733 12.373 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.803 -12.708 11.533 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.156 -12.651 10.861 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.543 -12.155 9.862 1.00 0.00 H new ATOM 1265 N PRO A 83 7.203 -10.544 12.278 1.00 0.00 N ATOM 1266 CA PRO A 83 8.574 -9.987 12.445 1.00 0.00 C ATOM 1267 C PRO A 83 9.324 -9.906 11.118 1.00 0.00 C ATOM 1268 O PRO A 83 10.329 -10.588 10.919 1.00 0.00 O ATOM 1269 CB PRO A 83 9.263 -10.968 13.398 1.00 0.00 C ATOM 1270 CG PRO A 83 8.168 -11.704 14.097 1.00 0.00 C ATOM 1271 CD PRO A 83 6.955 -11.685 13.172 1.00 0.00 C ATOM 0 HA PRO A 83 8.552 -8.966 12.826 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.907 -11.656 12.850 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.895 -10.439 14.112 1.00 0.00 H new ATOM 0 HG2 PRO A 83 8.470 -12.728 14.315 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.933 -11.231 15.050 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.865 -12.617 12.613 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.029 -11.558 13.732 1.00 0.00 H new ATOM 1279 N ALA A 84 8.829 -9.066 10.215 1.00 0.00 N ATOM 1280 CA ALA A 84 9.459 -8.903 8.909 1.00 0.00 C ATOM 1281 C ALA A 84 9.718 -7.427 8.620 1.00 0.00 C ATOM 1282 O ALA A 84 9.534 -6.574 9.489 1.00 0.00 O ATOM 1283 CB ALA A 84 8.561 -9.487 7.817 1.00 0.00 C ATOM 0 H ALA A 84 7.999 -8.491 10.361 1.00 0.00 H new ATOM 0 HA ALA A 84 10.411 -9.434 8.918 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.040 -9.361 6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.400 -10.548 8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.602 -8.969 7.819 1.00 0.00 H new ATOM 1289 N GLU A 85 10.143 -7.132 7.396 1.00 0.00 N ATOM 1290 CA GLU A 85 10.421 -5.754 7.008 1.00 0.00 C ATOM 1291 C GLU A 85 9.279 -5.192 6.170 1.00 0.00 C ATOM 1292 O GLU A 85 8.996 -5.685 5.078 1.00 0.00 O ATOM 1293 CB GLU A 85 11.722 -5.682 6.207 1.00 0.00 C ATOM 1294 CG GLU A 85 12.831 -6.419 6.959 1.00 0.00 C ATOM 1295 CD GLU A 85 13.372 -5.542 8.082 1.00 0.00 C ATOM 1296 OE1 GLU A 85 13.712 -4.403 7.806 1.00 0.00 O ATOM 1297 OE2 GLU A 85 13.439 -6.021 9.202 1.00 0.00 O ATOM 0 H GLU A 85 10.301 -7.822 6.661 1.00 0.00 H new ATOM 0 HA GLU A 85 10.522 -5.159 7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.579 -6.127 5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.006 -4.642 6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.445 -7.352 7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.635 -6.681 6.272 1.00 0.00 H new ATOM 1304 N ILE A 86 8.632 -4.155 6.687 1.00 0.00 N ATOM 1305 CA ILE A 86 7.524 -3.528 5.978 1.00 0.00 C ATOM 1306 C ILE A 86 7.740 -2.022 5.884 1.00 0.00 C ATOM 1307 O ILE A 86 8.232 -1.396 6.821 1.00 0.00 O ATOM 1308 CB ILE A 86 6.209 -3.809 6.708 1.00 0.00 C ATOM 1309 CG1 ILE A 86 6.173 -5.274 7.153 1.00 0.00 C ATOM 1310 CG2 ILE A 86 5.035 -3.535 5.767 1.00 0.00 C ATOM 1311 CD1 ILE A 86 6.856 -5.410 8.515 1.00 0.00 C ATOM 0 H ILE A 86 8.853 -3.733 7.589 1.00 0.00 H new ATOM 0 HA ILE A 86 7.476 -3.945 4.972 1.00 0.00 H new ATOM 0 HB ILE A 86 6.135 -3.162 7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.142 -5.621 7.215 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.677 -5.901 6.417 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.098 -3.735 6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.059 -2.492 5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.111 -4.182 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.831 -6.452 8.832 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.892 -5.079 8.437 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.333 -4.795 9.247 1.00 0.00 H new ATOM 1323 N PHE A 87 7.364 -1.445 4.748 1.00 0.00 N ATOM 1324 CA PHE A 87 7.515 -0.010 4.548 1.00 0.00 C ATOM 1325 C PHE A 87 6.160 0.621 4.251 1.00 0.00 C ATOM 1326 O PHE A 87 5.181 -0.085 4.016 1.00 0.00 O ATOM 1327 CB PHE A 87 8.482 0.261 3.396 1.00 0.00 C ATOM 1328 CG PHE A 87 9.885 -0.082 3.835 1.00 0.00 C ATOM 1329 CD1 PHE A 87 10.687 0.891 4.445 1.00 0.00 C ATOM 1330 CD2 PHE A 87 10.384 -1.375 3.634 1.00 0.00 C ATOM 1331 CE1 PHE A 87 11.987 0.570 4.855 1.00 0.00 C ATOM 1332 CE2 PHE A 87 11.684 -1.695 4.044 1.00 0.00 C ATOM 1333 CZ PHE A 87 12.485 -0.723 4.654 1.00 0.00 C ATOM 0 H PHE A 87 6.956 -1.945 3.958 1.00 0.00 H new ATOM 0 HA PHE A 87 7.919 0.432 5.459 1.00 0.00 H new ATOM 0 HB2 PHE A 87 8.205 -0.333 2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.427 1.308 3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 87 10.303 1.889 4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.766 -2.125 3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.605 1.320 5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 87 12.069 -2.692 3.889 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.488 -0.970 4.970 1.00 0.00 H new ATOM 1343 N LEU A 88 6.103 1.948 4.268 1.00 0.00 N ATOM 1344 CA LEU A 88 4.846 2.642 4.004 1.00 0.00 C ATOM 1345 C LEU A 88 5.060 3.817 3.058 1.00 0.00 C ATOM 1346 O LEU A 88 6.034 4.560 3.182 1.00 0.00 O ATOM 1347 CB LEU A 88 4.242 3.148 5.315 1.00 0.00 C ATOM 1348 CG LEU A 88 4.219 2.014 6.344 1.00 0.00 C ATOM 1349 CD1 LEU A 88 3.931 2.592 7.730 1.00 0.00 C ATOM 1350 CD2 LEU A 88 3.124 1.009 5.978 1.00 0.00 C ATOM 0 H LEU A 88 6.898 2.558 4.458 1.00 0.00 H new ATOM 0 HA LEU A 88 4.162 1.935 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.826 3.986 5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.231 3.516 5.143 1.00 0.00 H new ATOM 0 HG LEU A 88 5.186 1.511 6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.914 1.786 8.464 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.709 3.308 7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.964 3.095 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.110 0.203 6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.157 1.511 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.325 0.596 4.989 1.00 0.00 H new ATOM 1362 N LEU A 89 4.138 3.980 2.115 1.00 0.00 N ATOM 1363 CA LEU A 89 4.228 5.072 1.153 1.00 0.00 C ATOM 1364 C LEU A 89 3.511 6.311 1.680 1.00 0.00 C ATOM 1365 O LEU A 89 2.282 6.352 1.739 1.00 0.00 O ATOM 1366 CB LEU A 89 3.606 4.648 -0.177 1.00 0.00 C ATOM 1367 CG LEU A 89 3.874 5.723 -1.230 1.00 0.00 C ATOM 1368 CD1 LEU A 89 4.179 5.060 -2.574 1.00 0.00 C ATOM 1369 CD2 LEU A 89 2.640 6.614 -1.371 1.00 0.00 C ATOM 0 H LEU A 89 3.326 3.375 1.997 1.00 0.00 H new ATOM 0 HA LEU A 89 5.280 5.312 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.026 3.695 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.533 4.500 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 89 4.728 6.327 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.370 5.828 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.058 4.424 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.327 4.455 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.829 7.381 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.787 6.009 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.422 7.088 -0.414 1.00 0.00 H new ATOM 1381 N GLU A 90 4.287 7.321 2.064 1.00 0.00 N ATOM 1382 CA GLU A 90 3.717 8.557 2.587 1.00 0.00 C ATOM 1383 C GLU A 90 2.891 9.268 1.519 1.00 0.00 C ATOM 1384 O GLU A 90 3.110 9.077 0.322 1.00 0.00 O ATOM 1385 CB GLU A 90 4.835 9.484 3.069 1.00 0.00 C ATOM 1386 CG GLU A 90 4.381 10.223 4.329 1.00 0.00 C ATOM 1387 CD GLU A 90 4.408 9.279 5.525 1.00 0.00 C ATOM 1388 OE1 GLU A 90 5.446 8.684 5.763 1.00 0.00 O ATOM 1389 OE2 GLU A 90 3.389 9.165 6.188 1.00 0.00 O ATOM 0 H GLU A 90 5.306 7.308 2.023 1.00 0.00 H new ATOM 0 HA GLU A 90 3.065 8.305 3.423 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.735 8.906 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.090 10.200 2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.033 11.077 4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 90 3.374 10.615 4.188 1.00 0.00 H new ATOM 1396 N ASP A 91 1.944 10.087 1.962 1.00 0.00 N ATOM 1397 CA ASP A 91 1.089 10.825 1.037 1.00 0.00 C ATOM 1398 C ASP A 91 0.138 9.879 0.310 1.00 0.00 C ATOM 1399 O ASP A 91 -1.002 10.237 0.014 1.00 0.00 O ATOM 1400 CB ASP A 91 1.949 11.572 0.017 1.00 0.00 C ATOM 1401 CG ASP A 91 3.117 12.254 0.720 1.00 0.00 C ATOM 1402 OD1 ASP A 91 3.312 11.988 1.894 1.00 0.00 O ATOM 1403 OD2 ASP A 91 3.799 13.032 0.074 1.00 0.00 O ATOM 0 H ASP A 91 1.749 10.257 2.949 1.00 0.00 H new ATOM 0 HA ASP A 91 0.499 11.541 1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.322 10.877 -0.735 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.345 12.314 -0.506 1.00 0.00 H new ATOM 1408 N GLY A 92 0.613 8.671 0.023 1.00 0.00 N ATOM 1409 CA GLY A 92 -0.208 7.687 -0.672 1.00 0.00 C ATOM 1410 C GLY A 92 -0.007 7.786 -2.179 1.00 0.00 C ATOM 1411 O GLY A 92 0.984 8.347 -2.646 1.00 0.00 O ATOM 0 H GLY A 92 1.553 8.352 0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.050 6.684 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.259 7.846 -0.429 1.00 0.00 H new ATOM 1415 N ILE A 93 -0.951 7.244 -2.940 1.00 0.00 N ATOM 1416 CA ILE A 93 -0.853 7.285 -4.393 1.00 0.00 C ATOM 1417 C ILE A 93 -0.567 8.706 -4.865 1.00 0.00 C ATOM 1418 O ILE A 93 0.032 8.913 -5.920 1.00 0.00 O ATOM 1419 CB ILE A 93 -2.154 6.789 -5.023 1.00 0.00 C ATOM 1420 CG1 ILE A 93 -2.059 6.912 -6.546 1.00 0.00 C ATOM 1421 CG2 ILE A 93 -3.323 7.634 -4.515 1.00 0.00 C ATOM 1422 CD1 ILE A 93 -2.486 5.594 -7.194 1.00 0.00 C ATOM 0 H ILE A 93 -1.783 6.777 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.034 6.636 -4.702 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.316 5.746 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.696 7.724 -6.896 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.038 7.159 -6.838 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.251 7.280 -4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.390 7.548 -3.430 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.163 8.677 -4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.418 5.683 -8.278 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.831 4.792 -6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.514 5.366 -6.912 1.00 0.00 H new ATOM 1434 N ASP A 94 -0.993 9.685 -4.071 1.00 0.00 N ATOM 1435 CA ASP A 94 -0.770 11.084 -4.417 1.00 0.00 C ATOM 1436 C ASP A 94 0.718 11.342 -4.629 1.00 0.00 C ATOM 1437 O ASP A 94 1.124 11.876 -5.661 1.00 0.00 O ATOM 1438 CB ASP A 94 -1.297 11.990 -3.304 1.00 0.00 C ATOM 1439 CG ASP A 94 -1.473 13.410 -3.830 1.00 0.00 C ATOM 1440 OD1 ASP A 94 -2.013 13.556 -4.914 1.00 0.00 O ATOM 1441 OD2 ASP A 94 -1.065 14.331 -3.142 1.00 0.00 O ATOM 0 H ASP A 94 -1.490 9.537 -3.192 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.305 11.305 -5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.249 11.610 -2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.604 11.988 -2.463 1.00 0.00 H new ATOM 1446 N GLY A 95 1.528 10.954 -3.647 1.00 0.00 N ATOM 1447 CA GLY A 95 2.971 11.144 -3.742 1.00 0.00 C ATOM 1448 C GLY A 95 3.534 10.382 -4.936 1.00 0.00 C ATOM 1449 O GLY A 95 4.586 10.732 -5.470 1.00 0.00 O ATOM 0 H GLY A 95 1.213 10.510 -2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.198 12.206 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.450 10.800 -2.825 1.00 0.00 H new ATOM 1453 N TRP A 96 2.820 9.341 -5.350 1.00 0.00 N ATOM 1454 CA TRP A 96 3.246 8.532 -6.484 1.00 0.00 C ATOM 1455 C TRP A 96 2.825 9.194 -7.791 1.00 0.00 C ATOM 1456 O TRP A 96 3.537 9.125 -8.793 1.00 0.00 O ATOM 1457 CB TRP A 96 2.618 7.139 -6.390 1.00 0.00 C ATOM 1458 CG TRP A 96 2.884 6.379 -7.650 1.00 0.00 C ATOM 1459 CD1 TRP A 96 2.263 6.594 -8.834 1.00 0.00 C ATOM 1460 CD2 TRP A 96 3.822 5.286 -7.872 1.00 0.00 C ATOM 1461 NE1 TRP A 96 2.762 5.703 -9.768 1.00 0.00 N ATOM 1462 CE2 TRP A 96 3.725 4.876 -9.223 1.00 0.00 C ATOM 1463 CE3 TRP A 96 4.738 4.617 -7.041 1.00 0.00 C ATOM 1464 CZ2 TRP A 96 4.508 3.841 -9.733 1.00 0.00 C ATOM 1465 CZ3 TRP A 96 5.529 3.574 -7.552 1.00 0.00 C ATOM 1466 CH2 TRP A 96 5.414 3.186 -8.894 1.00 0.00 C ATOM 0 H TRP A 96 1.947 9.039 -4.918 1.00 0.00 H new ATOM 0 HA TRP A 96 4.332 8.444 -6.465 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.030 6.601 -5.536 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.544 7.224 -6.225 1.00 0.00 H new ATOM 0 HD1 TRP A 96 1.503 7.339 -9.019 1.00 0.00 H new ATOM 0 HE1 TRP A 96 2.456 5.662 -10.740 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.834 4.906 -6.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 4.415 3.548 -10.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 6.231 3.068 -6.906 1.00 0.00 H new ATOM 0 HH2 TRP A 96 6.024 2.382 -9.279 1.00 0.00 H new ATOM 1477 N LYS A 97 1.664 9.838 -7.768 1.00 0.00 N ATOM 1478 CA LYS A 97 1.150 10.515 -8.952 1.00 0.00 C ATOM 1479 C LYS A 97 1.872 11.841 -9.164 1.00 0.00 C ATOM 1480 O LYS A 97 2.038 12.295 -10.296 1.00 0.00 O ATOM 1481 CB LYS A 97 -0.351 10.769 -8.796 1.00 0.00 C ATOM 1482 CG LYS A 97 -0.910 11.352 -10.095 1.00 0.00 C ATOM 1483 CD LYS A 97 -1.938 12.437 -9.768 1.00 0.00 C ATOM 1484 CE LYS A 97 -3.086 11.827 -8.962 1.00 0.00 C ATOM 1485 NZ LYS A 97 -4.386 12.320 -9.499 1.00 0.00 N ATOM 0 H LYS A 97 1.063 9.906 -6.946 1.00 0.00 H new ATOM 0 HA LYS A 97 1.323 9.877 -9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.864 9.839 -8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.530 11.457 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.102 11.771 -10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.373 10.565 -10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.467 13.239 -9.200 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.320 12.879 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.046 10.739 -9.018 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.989 12.096 -7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.167 11.906 -8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.422 13.357 -9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.477 12.042 -10.497 1.00 0.00 H new ATOM 1499 N ARG A 98 2.302 12.458 -8.067 1.00 0.00 N ATOM 1500 CA ARG A 98 3.008 13.732 -8.144 1.00 0.00 C ATOM 1501 C ARG A 98 4.462 13.513 -8.552 1.00 0.00 C ATOM 1502 O ARG A 98 5.045 14.328 -9.266 1.00 0.00 O ATOM 1503 CB ARG A 98 2.957 14.442 -6.788 1.00 0.00 C ATOM 1504 CG ARG A 98 2.073 15.687 -6.893 1.00 0.00 C ATOM 1505 CD ARG A 98 1.933 16.335 -5.514 1.00 0.00 C ATOM 1506 NE ARG A 98 0.734 17.163 -5.465 1.00 0.00 N ATOM 1507 CZ ARG A 98 0.548 18.049 -4.493 1.00 0.00 C ATOM 1508 NH1 ARG A 98 1.449 18.193 -3.559 1.00 0.00 N ATOM 1509 NH2 ARG A 98 -0.535 18.776 -4.471 1.00 0.00 N ATOM 0 H ARG A 98 2.175 12.099 -7.121 1.00 0.00 H new ATOM 0 HA ARG A 98 2.520 14.352 -8.896 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.564 13.767 -6.028 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.963 14.723 -6.475 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.509 16.396 -7.597 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.091 15.416 -7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 98 1.883 15.564 -4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 98 2.812 16.942 -5.299 1.00 0.00 H new ATOM 0 HE ARG A 98 0.025 17.060 -6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 98 2.296 17.625 -3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 98 1.306 18.873 -2.813 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.239 18.664 -5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.678 19.456 -3.724 1.00 0.00 H new ATOM 1523 N ALA A 99 5.039 12.408 -8.091 1.00 0.00 N ATOM 1524 CA ALA A 99 6.426 12.089 -8.412 1.00 0.00 C ATOM 1525 C ALA A 99 6.555 11.669 -9.871 1.00 0.00 C ATOM 1526 O ALA A 99 7.633 11.280 -10.322 1.00 0.00 O ATOM 1527 CB ALA A 99 6.928 10.959 -7.510 1.00 0.00 C ATOM 0 H ALA A 99 4.572 11.722 -7.498 1.00 0.00 H new ATOM 0 HA ALA A 99 7.030 12.981 -8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.964 10.729 -7.758 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.865 11.270 -6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.313 10.072 -7.662 1.00 0.00 H new ATOM 1533 N GLY A 100 5.450 11.750 -10.605 1.00 0.00 N ATOM 1534 CA GLY A 100 5.454 11.374 -12.014 1.00 0.00 C ATOM 1535 C GLY A 100 5.894 9.925 -12.188 1.00 0.00 C ATOM 1536 O GLY A 100 6.948 9.652 -12.763 1.00 0.00 O ATOM 0 H GLY A 100 4.548 12.070 -10.252 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.457 11.509 -12.433 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.124 12.031 -12.568 1.00 0.00 H new ATOM 1540 N LEU A 101 5.080 9.000 -11.690 1.00 0.00 N ATOM 1541 CA LEU A 101 5.395 7.583 -11.798 1.00 0.00 C ATOM 1542 C LEU A 101 4.300 6.860 -12.574 1.00 0.00 C ATOM 1543 O LEU A 101 3.135 7.253 -12.537 1.00 0.00 O ATOM 1544 CB LEU A 101 5.526 6.966 -10.404 1.00 0.00 C ATOM 1545 CG LEU A 101 6.780 7.508 -9.715 1.00 0.00 C ATOM 1546 CD1 LEU A 101 6.934 6.847 -8.344 1.00 0.00 C ATOM 1547 CD2 LEU A 101 8.011 7.192 -10.569 1.00 0.00 C ATOM 0 H LEU A 101 4.203 9.206 -11.211 1.00 0.00 H new ATOM 0 HA LEU A 101 6.341 7.476 -12.329 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.643 7.199 -9.809 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.582 5.880 -10.480 1.00 0.00 H new ATOM 0 HG LEU A 101 6.688 8.587 -9.593 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.827 7.233 -7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.059 7.069 -7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.026 5.768 -8.469 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.904 7.578 -10.077 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.102 6.113 -10.691 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.905 7.660 -11.548 1.00 0.00 H new ATOM 1559 N PRO A 102 4.658 5.817 -13.268 1.00 0.00 N ATOM 1560 CA PRO A 102 3.702 5.012 -14.070 1.00 0.00 C ATOM 1561 C PRO A 102 2.330 4.908 -13.410 1.00 0.00 C ATOM 1562 O PRO A 102 2.220 4.869 -12.184 1.00 0.00 O ATOM 1563 CB PRO A 102 4.387 3.651 -14.135 1.00 0.00 C ATOM 1564 CG PRO A 102 5.852 3.950 -14.109 1.00 0.00 C ATOM 1565 CD PRO A 102 6.024 5.281 -13.363 1.00 0.00 C ATOM 0 HA PRO A 102 3.498 5.451 -15.046 1.00 0.00 H new ATOM 0 HB2 PRO A 102 4.098 3.024 -13.292 1.00 0.00 H new ATOM 0 HB3 PRO A 102 4.110 3.113 -15.042 1.00 0.00 H new ATOM 0 HG2 PRO A 102 6.400 3.153 -13.607 1.00 0.00 H new ATOM 0 HG3 PRO A 102 6.249 4.021 -15.121 1.00 0.00 H new ATOM 0 HD2 PRO A 102 6.463 5.131 -12.377 1.00 0.00 H new ATOM 0 HD3 PRO A 102 6.682 5.960 -13.905 1.00 0.00 H new ATOM 1573 N VAL A 103 1.287 4.864 -14.233 1.00 0.00 N ATOM 1574 CA VAL A 103 -0.076 4.764 -13.722 1.00 0.00 C ATOM 1575 C VAL A 103 -0.971 4.051 -14.730 1.00 0.00 C ATOM 1576 O VAL A 103 -0.696 4.057 -15.931 1.00 0.00 O ATOM 1577 CB VAL A 103 -0.632 6.160 -13.440 1.00 0.00 C ATOM 1578 CG1 VAL A 103 -0.888 6.885 -14.763 1.00 0.00 C ATOM 1579 CG2 VAL A 103 -1.945 6.037 -12.665 1.00 0.00 C ATOM 0 H VAL A 103 1.358 4.896 -15.250 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.058 4.189 -12.796 1.00 0.00 H new ATOM 0 HB VAL A 103 0.089 6.726 -12.850 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.284 7.880 -14.562 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.047 6.972 -15.317 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.609 6.320 -15.354 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.343 7.032 -12.463 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.665 5.471 -13.256 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.764 5.520 -11.722 1.00 0.00 H new ATOM 1589 N ALA A 104 -2.044 3.439 -14.238 1.00 0.00 N ATOM 1590 CA ALA A 104 -2.969 2.727 -15.111 1.00 0.00 C ATOM 1591 C ALA A 104 -4.395 2.826 -14.577 1.00 0.00 C ATOM 1592 O ALA A 104 -4.625 2.725 -13.373 1.00 0.00 O ATOM 1593 CB ALA A 104 -2.563 1.256 -15.216 1.00 0.00 C ATOM 0 H ALA A 104 -2.292 3.422 -13.249 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.930 3.185 -16.099 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.260 0.732 -15.870 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.556 1.185 -15.627 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.583 0.801 -14.226 1.00 0.00 H new ATOM 1599 N VAL A 105 -5.348 3.025 -15.482 1.00 0.00 N ATOM 1600 CA VAL A 105 -6.748 3.136 -15.090 1.00 0.00 C ATOM 1601 C VAL A 105 -7.464 1.806 -15.296 1.00 0.00 C ATOM 1602 O VAL A 105 -7.270 1.138 -16.311 1.00 0.00 O ATOM 1603 CB VAL A 105 -7.436 4.220 -15.921 1.00 0.00 C ATOM 1604 CG1 VAL A 105 -8.759 4.623 -15.262 1.00 0.00 C ATOM 1605 CG2 VAL A 105 -6.524 5.444 -16.019 1.00 0.00 C ATOM 0 H VAL A 105 -5.178 3.112 -16.484 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.793 3.403 -14.034 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.636 3.831 -16.919 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.243 5.395 -15.860 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.412 3.753 -15.196 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.564 5.008 -14.261 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.014 6.217 -16.611 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.321 5.827 -15.019 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.586 5.161 -16.497 1.00 0.00 H new ATOM 1615 N ASN A 106 -8.291 1.428 -14.327 1.00 0.00 N ATOM 1616 CA ASN A 106 -9.030 0.175 -14.417 1.00 0.00 C ATOM 1617 C ASN A 106 -10.360 0.386 -15.134 1.00 0.00 C ATOM 1618 O ASN A 106 -11.262 1.041 -14.610 1.00 0.00 O ATOM 1619 CB ASN A 106 -9.286 -0.384 -13.017 1.00 0.00 C ATOM 1620 CG ASN A 106 -8.939 -1.869 -12.977 1.00 0.00 C ATOM 1621 OD1 ASN A 106 -7.686 -2.236 -12.957 1.00 0.00 O flip ATOM 1622 ND2 ASN A 106 -9.832 -2.716 -12.963 1.00 0.00 N flip ATOM 0 H ASN A 106 -8.465 1.966 -13.478 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.432 -0.536 -14.987 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.687 0.158 -12.285 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.331 -0.239 -12.744 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.810 -2.426 -12.979 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.594 -3.707 -12.936 1.00 0.00 H new ATOM 1629 N LYS A 107 -10.475 -0.173 -16.334 1.00 0.00 N ATOM 1630 CA LYS A 107 -11.700 -0.040 -17.113 1.00 0.00 C ATOM 1631 C LYS A 107 -12.408 -1.386 -17.228 1.00 0.00 C ATOM 1632 O LYS A 107 -13.242 -1.669 -16.384 1.00 0.00 O ATOM 1633 CB LYS A 107 -11.376 0.492 -18.509 1.00 0.00 C ATOM 1634 CG LYS A 107 -12.473 1.463 -18.951 1.00 0.00 C ATOM 1635 CD LYS A 107 -12.629 1.399 -20.471 1.00 0.00 C ATOM 1636 CE LYS A 107 -13.663 0.332 -20.835 1.00 0.00 C ATOM 1637 NZ LYS A 107 -13.234 -0.371 -22.076 1.00 0.00 N ATOM 1638 OXT LYS A 107 -12.107 -2.115 -18.160 1.00 0.00 O ATOM 0 H LYS A 107 -9.741 -0.718 -16.785 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.360 0.662 -16.603 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.410 0.996 -18.503 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.300 -0.334 -19.216 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -13.416 1.208 -18.467 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -12.221 2.478 -18.643 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.942 2.370 -20.856 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -11.671 1.165 -20.936 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -13.768 -0.382 -20.018 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -14.640 0.792 -20.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -13.936 -1.097 -22.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -13.155 0.315 -22.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.311 -0.823 -21.918 1.00 0.00 H new TER 1652 LYS A 107