USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 652 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 80 CYS SG : rot -47:sc= 0.0395 USER MOD Set 1.2: A 84 MET CE :methyl 156:sc= 0 (180deg=0) USER MOD Set 2.1: A 51 MET CE :methyl -141:sc= -5! (180deg=-7.18!) USER MOD Set 2.2: A 82 MET CE :methyl 137:sc= -1.27 (180deg=-3.56) USER MOD Set 3.1: A 44 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.5!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 166:sc= -0.0615 (180deg=-0.376) USER MOD Set 4.1: A 16 ASN : amide:sc= -0.19 K(o=1.4,f=-3.1) USER MOD Set 4.2: A 75 LYS NZ :NH3+ -166:sc= 1.59 (180deg=1.15) USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.018) USER MOD Single : A 10 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.39) USER MOD Single : A 12 ASN : amide:sc= -3.12! C(o=-3.1!,f=-10!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -110:sc= -0.334 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 23 MET CE :methyl -167:sc= -0.0611 (180deg=-0.526) USER MOD Single : A 28 LYS NZ :NH3+ 144:sc= 0.831 (180deg=0.259) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.171 USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= -0.114 (180deg=-0.544) USER MOD Single : A 42 GLN : amide:sc= -0.0347 X(o=-0.035,f=-0.43) USER MOD Single : A 55 GLN : amide:sc= -0.705 K(o=-0.7,f=-2.9) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 60 ASN : amide:sc= -2.17! C(o=-2.2!,f=-5.2!) USER MOD Single : A 61 THR OG1 : rot 160:sc= -2.96! USER MOD Single : A 62 ASN : amide:sc= 0.0637 K(o=0.064,f=-3.9!) USER MOD Single : A 65 LYS NZ :NH3+ -129:sc= 0.744 (180deg=0.00248) USER MOD Single : A 74 TYR OH : rot 38:sc= -1.84! USER MOD Single : A 77 GLN : amide:sc= 0.251 X(o=0.25,f=-0.24) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 -10.371 -16.967 1.772 1.00 0.00 N ATOM 2 CA GLY A 5 -9.631 -15.775 1.404 1.00 0.00 C ATOM 3 C GLY A 5 -8.295 -15.675 2.110 1.00 0.00 C ATOM 4 O GLY A 5 -7.297 -16.223 1.634 1.00 0.00 O ATOM 0 HA2 GLY A 5 -9.469 -15.771 0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.229 -14.894 1.639 1.00 0.00 H new ATOM 8 N GLN A 6 -8.290 -14.983 3.250 1.00 0.00 N ATOM 9 CA GLN A 6 -7.069 -14.687 4.007 1.00 0.00 C ATOM 10 C GLN A 6 -6.157 -13.757 3.212 1.00 0.00 C ATOM 11 O GLN A 6 -6.064 -12.565 3.496 1.00 0.00 O ATOM 12 CB GLN A 6 -6.310 -15.963 4.390 1.00 0.00 C ATOM 13 CG GLN A 6 -7.060 -16.855 5.360 1.00 0.00 C ATOM 14 CD GLN A 6 -6.286 -18.109 5.730 1.00 0.00 C ATOM 15 OE1 GLN A 6 -5.446 -18.580 4.819 1.00 0.00 O flip ATOM 16 NE2 GLN A 6 -6.442 -18.651 6.825 1.00 0.00 N flip ATOM 0 H GLN A 6 -9.137 -14.609 3.678 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.374 -14.190 4.928 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -6.091 -16.530 3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.353 -15.686 4.832 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.283 -16.291 6.266 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.015 -17.141 4.919 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.098 -18.258 7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.915 -19.493 7.057 1.00 0.00 H new ATOM 25 N PHE A 7 -5.510 -14.311 2.202 1.00 0.00 N ATOM 26 CA PHE A 7 -4.621 -13.547 1.346 1.00 0.00 C ATOM 27 C PHE A 7 -4.955 -13.787 -0.113 1.00 0.00 C ATOM 28 O PHE A 7 -4.268 -13.299 -1.011 1.00 0.00 O ATOM 29 CB PHE A 7 -3.163 -13.925 1.617 1.00 0.00 C ATOM 30 CG PHE A 7 -2.903 -15.408 1.631 1.00 0.00 C ATOM 31 CD1 PHE A 7 -2.773 -16.118 0.447 1.00 0.00 C ATOM 32 CD2 PHE A 7 -2.788 -16.091 2.831 1.00 0.00 C ATOM 33 CE1 PHE A 7 -2.534 -17.480 0.460 1.00 0.00 C ATOM 34 CE2 PHE A 7 -2.548 -17.451 2.849 1.00 0.00 C ATOM 35 CZ PHE A 7 -2.423 -18.146 1.663 1.00 0.00 C ATOM 0 H PHE A 7 -5.585 -15.297 1.953 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.757 -12.489 1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.532 -13.464 0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.863 -13.506 2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.859 -15.601 -0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.887 -15.554 3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.434 -18.021 -0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.458 -17.971 3.791 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.238 -19.210 1.677 1.00 0.00 H new ATOM 45 N HIS A 8 -6.037 -14.531 -0.323 1.00 0.00 N ATOM 46 CA HIS A 8 -6.428 -15.004 -1.644 1.00 0.00 C ATOM 47 C HIS A 8 -5.401 -16.013 -2.146 1.00 0.00 C ATOM 48 O HIS A 8 -4.338 -15.640 -2.645 1.00 0.00 O ATOM 49 CB HIS A 8 -6.584 -13.847 -2.644 1.00 0.00 C ATOM 50 CG HIS A 8 -7.137 -14.268 -3.975 1.00 0.00 C ATOM 51 ND1 HIS A 8 -8.364 -13.858 -4.440 1.00 0.00 N ATOM 52 CD2 HIS A 8 -6.623 -15.068 -4.941 1.00 0.00 C ATOM 53 CE1 HIS A 8 -8.583 -14.385 -5.629 1.00 0.00 C ATOM 54 NE2 HIS A 8 -7.539 -15.123 -5.955 1.00 0.00 N ATOM 0 H HIS A 8 -6.669 -14.823 0.423 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.402 -15.486 -1.560 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.239 -13.091 -2.211 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.612 -13.377 -2.797 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.667 -15.569 -4.915 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.466 -14.238 -6.233 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -7.432 -15.649 -6.822 1.00 0.00 H new ATOM 63 N ASP A 9 -5.723 -17.289 -1.994 1.00 0.00 N ATOM 64 CA ASP A 9 -4.840 -18.356 -2.446 1.00 0.00 C ATOM 65 C ASP A 9 -4.612 -18.249 -3.949 1.00 0.00 C ATOM 66 O ASP A 9 -5.535 -17.918 -4.695 1.00 0.00 O ATOM 67 CB ASP A 9 -5.421 -19.724 -2.086 1.00 0.00 C ATOM 68 CG ASP A 9 -4.667 -20.866 -2.736 1.00 0.00 C ATOM 69 OD1 ASP A 9 -3.466 -21.040 -2.450 1.00 0.00 O ATOM 70 OD2 ASP A 9 -5.280 -21.598 -3.540 1.00 0.00 O ATOM 0 H ASP A 9 -6.589 -17.612 -1.561 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.880 -18.250 -1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.401 -19.850 -1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.466 -19.763 -2.392 1.00 0.00 H new ATOM 75 N ASN A 10 -3.381 -18.520 -4.370 1.00 0.00 N ATOM 76 CA ASN A 10 -2.962 -18.341 -5.758 1.00 0.00 C ATOM 77 C ASN A 10 -2.958 -16.849 -6.096 1.00 0.00 C ATOM 78 O ASN A 10 -3.629 -16.392 -7.024 1.00 0.00 O ATOM 79 CB ASN A 10 -3.862 -19.145 -6.713 1.00 0.00 C ATOM 80 CG ASN A 10 -3.382 -19.130 -8.155 1.00 0.00 C ATOM 81 OD1 ASN A 10 -3.825 -18.317 -8.965 1.00 0.00 O ATOM 82 ND2 ASN A 10 -2.476 -20.036 -8.488 1.00 0.00 N ATOM 0 H ASN A 10 -2.644 -18.871 -3.758 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.950 -18.726 -5.885 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.915 -20.177 -6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.874 -18.742 -6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.122 -20.076 -9.444 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.132 -20.694 -7.789 1.00 0.00 H new ATOM 89 N ALA A 11 -2.206 -16.094 -5.294 1.00 0.00 N ATOM 90 CA ALA A 11 -2.060 -14.653 -5.476 1.00 0.00 C ATOM 91 C ALA A 11 -1.002 -14.088 -4.529 1.00 0.00 C ATOM 92 O ALA A 11 0.067 -13.662 -4.963 1.00 0.00 O ATOM 93 CB ALA A 11 -3.385 -13.936 -5.258 1.00 0.00 C ATOM 0 H ALA A 11 -1.682 -16.466 -4.501 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.738 -14.484 -6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.246 -12.864 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.120 -14.305 -5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.738 -14.125 -4.244 1.00 0.00 H new ATOM 99 N ASN A 12 -1.305 -14.096 -3.235 1.00 0.00 N ATOM 100 CA ASN A 12 -0.401 -13.542 -2.230 1.00 0.00 C ATOM 101 C ASN A 12 0.408 -14.648 -1.562 1.00 0.00 C ATOM 102 O ASN A 12 -0.036 -15.260 -0.590 1.00 0.00 O ATOM 103 CB ASN A 12 -1.192 -12.757 -1.174 1.00 0.00 C ATOM 104 CG ASN A 12 -0.301 -12.062 -0.166 1.00 0.00 C ATOM 105 OD1 ASN A 12 0.101 -10.921 -0.368 1.00 0.00 O ATOM 106 ND2 ASN A 12 0.001 -12.734 0.932 1.00 0.00 N ATOM 0 H ASN A 12 -2.170 -14.480 -2.856 1.00 0.00 H new ATOM 0 HA ASN A 12 0.289 -12.863 -2.731 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.816 -12.015 -1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.863 -13.438 -0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.588 -12.305 1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.353 -13.682 1.064 1.00 0.00 H new ATOM 113 N GLY A 13 1.590 -14.904 -2.092 1.00 0.00 N ATOM 114 CA GLY A 13 2.465 -15.908 -1.518 1.00 0.00 C ATOM 115 C GLY A 13 3.898 -15.433 -1.491 1.00 0.00 C ATOM 116 O GLY A 13 4.652 -15.659 -2.439 1.00 0.00 O ATOM 0 H GLY A 13 1.964 -14.433 -2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.138 -16.143 -0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.395 -16.829 -2.097 1.00 0.00 H new ATOM 120 N GLY A 14 4.274 -14.749 -0.418 1.00 0.00 N ATOM 121 CA GLY A 14 5.576 -14.112 -0.362 1.00 0.00 C ATOM 122 C GLY A 14 5.546 -12.795 -1.103 1.00 0.00 C ATOM 123 O GLY A 14 5.904 -11.746 -0.565 1.00 0.00 O ATOM 0 H GLY A 14 3.700 -14.624 0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.864 -13.947 0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.329 -14.767 -0.801 1.00 0.00 H new ATOM 127 N GLN A 15 5.109 -12.866 -2.350 1.00 0.00 N ATOM 128 CA GLN A 15 4.834 -11.686 -3.143 1.00 0.00 C ATOM 129 C GLN A 15 3.441 -11.187 -2.786 1.00 0.00 C ATOM 130 O GLN A 15 2.466 -11.928 -2.917 1.00 0.00 O ATOM 131 CB GLN A 15 4.894 -12.029 -4.633 1.00 0.00 C ATOM 132 CG GLN A 15 6.089 -12.887 -5.023 1.00 0.00 C ATOM 133 CD GLN A 15 6.065 -13.276 -6.487 1.00 0.00 C ATOM 134 OE1 GLN A 15 5.484 -14.295 -6.862 1.00 0.00 O ATOM 135 NE2 GLN A 15 6.707 -12.475 -7.322 1.00 0.00 N ATOM 0 H GLN A 15 4.936 -13.745 -2.838 1.00 0.00 H new ATOM 0 HA GLN A 15 5.577 -10.916 -2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.979 -12.551 -4.912 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.921 -11.103 -5.208 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.009 -12.343 -4.809 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.102 -13.788 -4.410 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.175 -11.640 -6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.733 -12.692 -8.318 1.00 0.00 H new ATOM 144 N ASN A 16 3.352 -9.953 -2.311 1.00 0.00 N ATOM 145 CA ASN A 16 2.072 -9.386 -1.904 1.00 0.00 C ATOM 146 C ASN A 16 1.165 -9.216 -3.120 1.00 0.00 C ATOM 147 O ASN A 16 1.510 -8.521 -4.078 1.00 0.00 O ATOM 148 CB ASN A 16 2.276 -8.057 -1.161 1.00 0.00 C ATOM 149 CG ASN A 16 3.018 -8.237 0.157 1.00 0.00 C ATOM 150 OD1 ASN A 16 2.404 -8.464 1.199 1.00 0.00 O ATOM 151 ND2 ASN A 16 4.338 -8.130 0.123 1.00 0.00 N ATOM 0 H ASN A 16 4.148 -9.326 -2.198 1.00 0.00 H new ATOM 0 HA ASN A 16 1.585 -10.073 -1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.833 -7.370 -1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.306 -7.598 -0.969 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.881 -8.236 0.980 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.812 -7.941 -0.760 1.00 0.00 H new ATOM 158 N GLY A 17 0.012 -9.871 -3.081 1.00 0.00 N ATOM 159 CA GLY A 17 -0.820 -9.979 -4.266 1.00 0.00 C ATOM 160 C GLY A 17 -1.982 -9.007 -4.296 1.00 0.00 C ATOM 161 O GLY A 17 -2.344 -8.512 -5.365 1.00 0.00 O ATOM 0 H GLY A 17 -0.363 -10.330 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.201 -9.816 -5.148 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.208 -10.995 -4.333 1.00 0.00 H new ATOM 165 N THR A 18 -2.570 -8.731 -3.143 1.00 0.00 N ATOM 166 CA THR A 18 -3.741 -7.861 -3.078 1.00 0.00 C ATOM 167 C THR A 18 -3.335 -6.404 -3.291 1.00 0.00 C ATOM 168 O THR A 18 -2.428 -5.901 -2.628 1.00 0.00 O ATOM 169 CB THR A 18 -4.467 -8.020 -1.725 1.00 0.00 C ATOM 170 OG1 THR A 18 -4.854 -9.391 -1.547 1.00 0.00 O ATOM 171 CG2 THR A 18 -5.701 -7.132 -1.638 1.00 0.00 C ATOM 0 H THR A 18 -2.260 -9.093 -2.241 1.00 0.00 H new ATOM 0 HA THR A 18 -4.427 -8.154 -3.873 1.00 0.00 H new ATOM 0 HB THR A 18 -3.777 -7.716 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.829 -9.467 -1.613 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.183 -7.273 -0.671 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.407 -6.088 -1.748 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.397 -7.398 -2.433 1.00 0.00 H new ATOM 179 N VAL A 19 -3.998 -5.737 -4.230 1.00 0.00 N ATOM 180 CA VAL A 19 -3.665 -4.363 -4.575 1.00 0.00 C ATOM 181 C VAL A 19 -4.924 -3.533 -4.771 1.00 0.00 C ATOM 182 O VAL A 19 -5.769 -3.860 -5.607 1.00 0.00 O ATOM 183 CB VAL A 19 -2.821 -4.278 -5.871 1.00 0.00 C ATOM 184 CG1 VAL A 19 -2.529 -2.831 -6.239 1.00 0.00 C ATOM 185 CG2 VAL A 19 -1.526 -5.055 -5.732 1.00 0.00 C ATOM 0 H VAL A 19 -4.772 -6.129 -4.767 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.080 -3.971 -3.743 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.407 -4.727 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.935 -2.801 -7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.467 -2.300 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.975 -2.355 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.954 -4.978 -6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.942 -4.644 -4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.750 -6.103 -5.531 1.00 0.00 H new ATOM 195 N GLN A 20 -5.051 -2.465 -4.002 1.00 0.00 N ATOM 196 CA GLN A 20 -6.133 -1.511 -4.208 1.00 0.00 C ATOM 197 C GLN A 20 -5.584 -0.229 -4.813 1.00 0.00 C ATOM 198 O GLN A 20 -4.728 0.423 -4.215 1.00 0.00 O ATOM 199 CB GLN A 20 -6.869 -1.198 -2.902 1.00 0.00 C ATOM 200 CG GLN A 20 -7.742 -2.343 -2.407 1.00 0.00 C ATOM 201 CD GLN A 20 -8.622 -1.962 -1.227 1.00 0.00 C ATOM 202 OE1 GLN A 20 -8.148 -1.050 -0.387 1.00 0.00 O flip ATOM 203 NE2 GLN A 20 -9.723 -2.491 -1.068 1.00 0.00 N flip ATOM 0 H GLN A 20 -4.423 -2.235 -3.232 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.850 -1.963 -4.894 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.138 -0.950 -2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.490 -0.314 -3.047 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.373 -2.689 -3.225 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.104 -3.179 -2.121 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.055 -3.188 -1.734 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.303 -2.232 -0.270 1.00 0.00 H new ATOM 212 N GLU A 21 -6.044 0.101 -6.015 1.00 0.00 N ATOM 213 CA GLU A 21 -5.660 1.346 -6.671 1.00 0.00 C ATOM 214 C GLU A 21 -6.624 2.468 -6.319 1.00 0.00 C ATOM 215 O GLU A 21 -7.812 2.408 -6.637 1.00 0.00 O ATOM 216 CB GLU A 21 -5.586 1.161 -8.188 1.00 0.00 C ATOM 217 CG GLU A 21 -4.324 0.450 -8.631 1.00 0.00 C ATOM 218 CD GLU A 21 -4.280 0.175 -10.118 1.00 0.00 C ATOM 219 OE1 GLU A 21 -5.179 -0.525 -10.625 1.00 0.00 O ATOM 220 OE2 GLU A 21 -3.323 0.631 -10.784 1.00 0.00 O ATOM 0 H GLU A 21 -6.685 -0.478 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.670 1.622 -6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.454 0.593 -8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.637 2.137 -8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.460 1.054 -8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.239 -0.493 -8.092 1.00 0.00 H new ATOM 227 N ILE A 22 -6.100 3.473 -5.636 1.00 0.00 N ATOM 228 CA ILE A 22 -6.878 4.643 -5.259 1.00 0.00 C ATOM 229 C ILE A 22 -6.417 5.841 -6.075 1.00 0.00 C ATOM 230 O ILE A 22 -5.262 5.900 -6.488 1.00 0.00 O ATOM 231 CB ILE A 22 -6.713 4.986 -3.755 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.758 3.717 -2.892 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.800 5.959 -3.313 1.00 0.00 C ATOM 234 CD1 ILE A 22 -8.068 2.956 -2.973 1.00 0.00 C ATOM 0 H ILE A 22 -5.128 3.501 -5.328 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.926 4.416 -5.452 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.739 5.456 -3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.947 3.055 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.573 3.991 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.672 6.191 -2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.727 6.876 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.779 5.506 -3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.016 2.074 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.883 3.598 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.247 2.648 -4.003 1.00 0.00 H new ATOM 246 N MET A 23 -7.314 6.782 -6.318 1.00 0.00 N ATOM 247 CA MET A 23 -6.951 8.019 -6.986 1.00 0.00 C ATOM 248 C MET A 23 -6.888 9.133 -5.961 1.00 0.00 C ATOM 249 O MET A 23 -7.912 9.690 -5.570 1.00 0.00 O ATOM 250 CB MET A 23 -7.955 8.376 -8.076 1.00 0.00 C ATOM 251 CG MET A 23 -8.146 7.284 -9.113 1.00 0.00 C ATOM 252 SD MET A 23 -6.605 6.791 -9.919 1.00 0.00 S ATOM 253 CE MET A 23 -6.080 8.337 -10.658 1.00 0.00 C ATOM 0 H MET A 23 -8.299 6.712 -6.062 1.00 0.00 H new ATOM 0 HA MET A 23 -5.978 7.887 -7.459 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.917 8.597 -7.613 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.625 9.286 -8.577 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.594 6.413 -8.635 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.850 7.630 -9.870 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.279 8.145 -11.372 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.923 8.799 -11.173 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.718 9.008 -9.879 1.00 0.00 H new ATOM 263 N ILE A 24 -5.690 9.433 -5.506 1.00 0.00 N ATOM 264 CA ILE A 24 -5.504 10.413 -4.452 1.00 0.00 C ATOM 265 C ILE A 24 -5.532 11.824 -5.025 1.00 0.00 C ATOM 266 O ILE A 24 -4.855 12.105 -6.009 1.00 0.00 O ATOM 267 CB ILE A 24 -4.171 10.177 -3.711 1.00 0.00 C ATOM 268 CG1 ILE A 24 -4.107 8.744 -3.179 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.991 11.174 -2.577 1.00 0.00 C ATOM 270 CD1 ILE A 24 -5.305 8.349 -2.340 1.00 0.00 C ATOM 0 H ILE A 24 -4.827 9.012 -5.849 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.323 10.301 -3.741 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.357 10.325 -4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.023 8.057 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.203 8.628 -2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.044 10.984 -2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.991 12.187 -2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.809 11.067 -1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.187 7.320 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.379 9.011 -1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.212 8.431 -2.939 1.00 0.00 H new ATOM 282 N PRO A 25 -6.344 12.717 -4.426 1.00 0.00 N ATOM 283 CA PRO A 25 -6.436 14.119 -4.844 1.00 0.00 C ATOM 284 C PRO A 25 -5.066 14.757 -5.048 1.00 0.00 C ATOM 285 O PRO A 25 -4.208 14.690 -4.165 1.00 0.00 O ATOM 286 CB PRO A 25 -7.168 14.783 -3.681 1.00 0.00 C ATOM 287 CG PRO A 25 -8.016 13.703 -3.108 1.00 0.00 C ATOM 288 CD PRO A 25 -7.253 12.419 -3.303 1.00 0.00 C ATOM 0 HA PRO A 25 -6.942 14.227 -5.803 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.468 15.172 -2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.773 15.624 -4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.212 13.882 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.983 13.661 -3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.701 12.141 -2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.920 11.589 -3.537 1.00 0.00 H new ATOM 296 N ALA A 26 -4.880 15.367 -6.217 1.00 0.00 N ATOM 297 CA ALA A 26 -3.577 15.861 -6.664 1.00 0.00 C ATOM 298 C ALA A 26 -2.821 16.625 -5.578 1.00 0.00 C ATOM 299 O ALA A 26 -1.693 16.267 -5.229 1.00 0.00 O ATOM 300 CB ALA A 26 -3.753 16.740 -7.894 1.00 0.00 C ATOM 0 H ALA A 26 -5.632 15.534 -6.885 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.973 14.987 -6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.780 17.105 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.212 16.159 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.394 17.587 -7.648 1.00 0.00 H new ATOM 306 N GLY A 27 -3.455 17.654 -5.034 1.00 0.00 N ATOM 307 CA GLY A 27 -2.789 18.515 -4.073 1.00 0.00 C ATOM 308 C GLY A 27 -2.782 17.944 -2.669 1.00 0.00 C ATOM 309 O GLY A 27 -2.167 18.509 -1.767 1.00 0.00 O ATOM 0 H GLY A 27 -4.421 17.910 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.762 18.683 -4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.283 19.487 -4.061 1.00 0.00 H new ATOM 313 N LYS A 28 -3.451 16.818 -2.481 1.00 0.00 N ATOM 314 CA LYS A 28 -3.548 16.204 -1.166 1.00 0.00 C ATOM 315 C LYS A 28 -2.478 15.127 -1.007 1.00 0.00 C ATOM 316 O LYS A 28 -2.269 14.605 0.088 1.00 0.00 O ATOM 317 CB LYS A 28 -4.937 15.606 -0.962 1.00 0.00 C ATOM 318 CG LYS A 28 -5.478 15.781 0.449 1.00 0.00 C ATOM 319 CD LYS A 28 -5.561 17.247 0.836 1.00 0.00 C ATOM 320 CE LYS A 28 -6.837 17.564 1.606 1.00 0.00 C ATOM 321 NZ LYS A 28 -6.929 16.824 2.894 1.00 0.00 N ATOM 0 H LYS A 28 -3.935 16.310 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.386 16.971 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.629 16.068 -1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.903 14.543 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.467 15.329 0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.836 15.253 1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.696 17.511 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.518 17.862 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.881 18.635 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.700 17.318 0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.380 17.428 3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.497 15.963 2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.974 16.563 3.213 1.00 0.00 H new ATOM 335 N ALA A 29 -1.789 14.817 -2.106 1.00 0.00 N ATOM 336 CA ALA A 29 -0.737 13.803 -2.092 1.00 0.00 C ATOM 337 C ALA A 29 0.418 14.221 -1.191 1.00 0.00 C ATOM 338 O ALA A 29 1.146 13.374 -0.680 1.00 0.00 O ATOM 339 CB ALA A 29 -0.229 13.520 -3.496 1.00 0.00 C ATOM 0 H ALA A 29 -1.941 15.254 -3.015 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.173 12.888 -1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.553 12.762 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.051 13.160 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.176 14.435 -3.928 1.00 0.00 H new ATOM 345 N GLY A 30 0.565 15.525 -0.984 1.00 0.00 N ATOM 346 CA GLY A 30 1.620 16.033 -0.124 1.00 0.00 C ATOM 347 C GLY A 30 1.528 15.489 1.289 1.00 0.00 C ATOM 348 O GLY A 30 2.536 15.363 1.977 1.00 0.00 O ATOM 0 H GLY A 30 -0.030 16.243 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.589 15.771 -0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.569 17.121 -0.095 1.00 0.00 H new ATOM 352 N LEU A 31 0.317 15.144 1.710 1.00 0.00 N ATOM 353 CA LEU A 31 0.095 14.635 3.054 1.00 0.00 C ATOM 354 C LEU A 31 0.398 13.141 3.134 1.00 0.00 C ATOM 355 O LEU A 31 0.890 12.654 4.151 1.00 0.00 O ATOM 356 CB LEU A 31 -1.345 14.910 3.492 1.00 0.00 C ATOM 357 CG LEU A 31 -1.741 16.388 3.506 1.00 0.00 C ATOM 358 CD1 LEU A 31 -3.182 16.554 3.957 1.00 0.00 C ATOM 359 CD2 LEU A 31 -0.804 17.181 4.405 1.00 0.00 C ATOM 0 H LEU A 31 -0.525 15.208 1.138 1.00 0.00 H new ATOM 0 HA LEU A 31 0.776 15.153 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.021 14.374 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.490 14.500 4.491 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.655 16.776 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.443 17.612 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.841 16.020 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.297 16.149 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.100 18.230 4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.857 16.790 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.217 17.091 4.035 1.00 0.00 H new ATOM 371 N VAL A 32 0.109 12.419 2.056 1.00 0.00 N ATOM 372 CA VAL A 32 0.389 10.986 2.008 1.00 0.00 C ATOM 373 C VAL A 32 1.882 10.744 1.845 1.00 0.00 C ATOM 374 O VAL A 32 2.432 9.798 2.404 1.00 0.00 O ATOM 375 CB VAL A 32 -0.361 10.258 0.867 1.00 0.00 C ATOM 376 CG1 VAL A 32 -1.271 9.179 1.423 1.00 0.00 C ATOM 377 CG2 VAL A 32 -1.163 11.227 0.019 1.00 0.00 C ATOM 0 H VAL A 32 -0.316 12.798 1.209 1.00 0.00 H new ATOM 0 HA VAL A 32 0.034 10.577 2.954 1.00 0.00 H new ATOM 0 HB VAL A 32 0.391 9.793 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.788 8.681 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.677 8.450 1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.003 9.630 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.676 10.680 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.897 11.735 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.493 11.963 -0.425 1.00 0.00 H new ATOM 387 N ILE A 33 2.539 11.608 1.078 1.00 0.00 N ATOM 388 CA ILE A 33 3.975 11.487 0.872 1.00 0.00 C ATOM 389 C ILE A 33 4.715 12.028 2.087 1.00 0.00 C ATOM 390 O ILE A 33 5.677 11.428 2.576 1.00 0.00 O ATOM 391 CB ILE A 33 4.455 12.239 -0.397 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.593 11.874 -1.612 1.00 0.00 C ATOM 393 CG2 ILE A 33 5.922 11.947 -0.680 1.00 0.00 C ATOM 394 CD1 ILE A 33 3.347 10.400 -1.769 1.00 0.00 C ATOM 0 H ILE A 33 2.103 12.393 0.593 1.00 0.00 H new ATOM 0 HA ILE A 33 4.194 10.428 0.732 1.00 0.00 H new ATOM 0 HB ILE A 33 4.347 13.307 -0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.634 12.385 -1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.078 12.249 -2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.234 12.486 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.527 12.269 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.056 10.877 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.730 10.226 -2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.299 9.882 -1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.833 10.021 -0.886 1.00 0.00 H new ATOM 406 N GLY A 34 4.242 13.159 2.581 1.00 0.00 N ATOM 407 CA GLY A 34 4.827 13.761 3.750 1.00 0.00 C ATOM 408 C GLY A 34 5.544 15.045 3.426 1.00 0.00 C ATOM 409 O GLY A 34 5.697 15.399 2.258 1.00 0.00 O ATOM 0 H GLY A 34 3.455 13.673 2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.047 13.957 4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.526 13.061 4.207 1.00 0.00 H new ATOM 413 N LYS A 35 5.994 15.739 4.458 1.00 0.00 N ATOM 414 CA LYS A 35 6.683 17.008 4.282 1.00 0.00 C ATOM 415 C LYS A 35 8.102 16.774 3.782 1.00 0.00 C ATOM 416 O LYS A 35 8.710 17.654 3.175 1.00 0.00 O ATOM 417 CB LYS A 35 6.708 17.792 5.597 1.00 0.00 C ATOM 418 CG LYS A 35 5.330 17.990 6.216 1.00 0.00 C ATOM 419 CD LYS A 35 4.353 18.627 5.237 1.00 0.00 C ATOM 420 CE LYS A 35 4.748 20.051 4.881 1.00 0.00 C ATOM 421 NZ LYS A 35 3.830 20.642 3.871 1.00 0.00 N ATOM 0 H LYS A 35 5.894 15.445 5.429 1.00 0.00 H new ATOM 0 HA LYS A 35 6.142 17.594 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.345 17.269 6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.161 18.767 5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.938 17.027 6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.417 18.618 7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.307 18.026 4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.353 18.626 5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.742 20.666 5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.767 20.060 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.132 21.613 3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.854 20.070 3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.861 20.657 4.249 1.00 0.00 H new ATOM 435 N GLY A 36 8.616 15.575 4.028 1.00 0.00 N ATOM 436 CA GLY A 36 9.956 15.242 3.586 1.00 0.00 C ATOM 437 C GLY A 36 10.004 13.915 2.857 1.00 0.00 C ATOM 438 O GLY A 36 11.045 13.526 2.325 1.00 0.00 O ATOM 0 H GLY A 36 8.130 14.829 4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.326 16.029 2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.623 15.206 4.448 1.00 0.00 H new ATOM 442 N GLY A 37 8.875 13.221 2.828 1.00 0.00 N ATOM 443 CA GLY A 37 8.821 11.920 2.190 1.00 0.00 C ATOM 444 C GLY A 37 8.889 10.793 3.198 1.00 0.00 C ATOM 445 O GLY A 37 8.824 9.620 2.840 1.00 0.00 O ATOM 0 H GLY A 37 7.994 13.536 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.900 11.836 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.647 11.827 1.485 1.00 0.00 H new ATOM 449 N GLU A 38 9.007 11.157 4.467 1.00 0.00 N ATOM 450 CA GLU A 38 9.108 10.178 5.540 1.00 0.00 C ATOM 451 C GLU A 38 7.746 9.589 5.876 1.00 0.00 C ATOM 452 O GLU A 38 7.656 8.505 6.447 1.00 0.00 O ATOM 453 CB GLU A 38 9.710 10.813 6.791 1.00 0.00 C ATOM 454 CG GLU A 38 11.156 11.240 6.633 1.00 0.00 C ATOM 455 CD GLU A 38 11.742 11.743 7.933 1.00 0.00 C ATOM 456 OE1 GLU A 38 11.798 10.958 8.905 1.00 0.00 O ATOM 457 OE2 GLU A 38 12.137 12.924 7.990 1.00 0.00 O ATOM 0 H GLU A 38 9.035 12.128 4.780 1.00 0.00 H new ATOM 0 HA GLU A 38 9.760 9.376 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.114 11.683 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.640 10.103 7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.746 10.398 6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.223 12.023 5.878 1.00 0.00 H new ATOM 464 N THR A 39 6.689 10.302 5.522 1.00 0.00 N ATOM 465 CA THR A 39 5.342 9.855 5.828 1.00 0.00 C ATOM 466 C THR A 39 4.979 8.625 4.996 1.00 0.00 C ATOM 467 O THR A 39 4.569 7.606 5.539 1.00 0.00 O ATOM 468 CB THR A 39 4.321 10.985 5.605 1.00 0.00 C ATOM 469 OG1 THR A 39 4.738 12.154 6.336 1.00 0.00 O ATOM 470 CG2 THR A 39 2.932 10.565 6.060 1.00 0.00 C ATOM 0 H THR A 39 6.738 11.191 5.024 1.00 0.00 H new ATOM 0 HA THR A 39 5.310 9.577 6.881 1.00 0.00 H new ATOM 0 HB THR A 39 4.277 11.208 4.539 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.971 12.750 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.231 11.382 5.891 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.613 9.690 5.494 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.955 10.321 7.122 1.00 0.00 H new ATOM 478 N ILE A 40 5.177 8.699 3.688 1.00 0.00 N ATOM 479 CA ILE A 40 4.912 7.548 2.823 1.00 0.00 C ATOM 480 C ILE A 40 5.905 6.417 3.117 1.00 0.00 C ATOM 481 O ILE A 40 5.618 5.238 2.903 1.00 0.00 O ATOM 482 CB ILE A 40 4.960 7.950 1.330 1.00 0.00 C ATOM 483 CG1 ILE A 40 4.618 6.762 0.420 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.322 8.526 0.964 1.00 0.00 C ATOM 485 CD1 ILE A 40 4.635 7.098 -1.062 1.00 0.00 C ATOM 0 H ILE A 40 5.516 9.530 3.203 1.00 0.00 H new ATOM 0 HA ILE A 40 3.906 7.187 3.037 1.00 0.00 H new ATOM 0 HB ILE A 40 4.206 8.722 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.328 5.956 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.630 6.385 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.329 8.801 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.518 9.410 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.095 7.780 1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.384 6.208 -1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.905 7.881 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.629 7.446 -1.345 1.00 0.00 H new ATOM 497 N LYS A 41 7.065 6.796 3.638 1.00 0.00 N ATOM 498 CA LYS A 41 8.081 5.841 4.064 1.00 0.00 C ATOM 499 C LYS A 41 7.562 4.974 5.208 1.00 0.00 C ATOM 500 O LYS A 41 7.585 3.745 5.133 1.00 0.00 O ATOM 501 CB LYS A 41 9.339 6.599 4.509 1.00 0.00 C ATOM 502 CG LYS A 41 10.415 5.723 5.129 1.00 0.00 C ATOM 503 CD LYS A 41 11.024 4.781 4.110 1.00 0.00 C ATOM 504 CE LYS A 41 12.127 3.932 4.724 1.00 0.00 C ATOM 505 NZ LYS A 41 13.133 4.766 5.436 1.00 0.00 N ATOM 0 H LYS A 41 7.328 7.772 3.777 1.00 0.00 H new ATOM 0 HA LYS A 41 8.325 5.189 3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.761 7.116 3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.051 7.364 5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.196 6.352 5.556 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.987 5.146 5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.248 4.132 3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.428 5.356 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.690 3.216 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.621 3.356 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.993 4.205 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.369 5.596 4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.741 5.080 6.347 1.00 0.00 H new ATOM 519 N GLN A 42 7.069 5.627 6.251 1.00 0.00 N ATOM 520 CA GLN A 42 6.636 4.938 7.459 1.00 0.00 C ATOM 521 C GLN A 42 5.388 4.112 7.208 1.00 0.00 C ATOM 522 O GLN A 42 5.238 3.017 7.750 1.00 0.00 O ATOM 523 CB GLN A 42 6.388 5.941 8.584 1.00 0.00 C ATOM 524 CG GLN A 42 5.483 7.093 8.211 1.00 0.00 C ATOM 525 CD GLN A 42 5.424 8.155 9.288 1.00 0.00 C ATOM 526 OE1 GLN A 42 4.567 8.122 10.171 1.00 0.00 O ATOM 527 NE2 GLN A 42 6.346 9.097 9.228 1.00 0.00 N ATOM 0 H GLN A 42 6.958 6.640 6.285 1.00 0.00 H new ATOM 0 HA GLN A 42 7.434 4.259 7.759 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.953 5.414 9.433 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.347 6.341 8.914 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.835 7.541 7.282 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.478 6.715 8.022 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.038 9.086 8.479 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.367 9.836 9.931 1.00 0.00 H new ATOM 536 N LEU A 43 4.505 4.643 6.380 1.00 0.00 N ATOM 537 CA LEU A 43 3.260 3.967 6.033 1.00 0.00 C ATOM 538 C LEU A 43 3.516 2.554 5.509 1.00 0.00 C ATOM 539 O LEU A 43 2.782 1.617 5.835 1.00 0.00 O ATOM 540 CB LEU A 43 2.491 4.766 4.984 1.00 0.00 C ATOM 541 CG LEU A 43 2.110 6.191 5.390 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.355 6.877 4.272 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.283 6.184 6.667 1.00 0.00 C ATOM 0 H LEU A 43 4.627 5.550 5.930 1.00 0.00 H new ATOM 0 HA LEU A 43 2.665 3.895 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.093 4.814 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.580 4.222 4.734 1.00 0.00 H new ATOM 0 HG LEU A 43 3.027 6.749 5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.092 7.889 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.982 6.919 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.446 6.318 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.023 7.207 6.938 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.371 5.608 6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.861 5.731 7.473 1.00 0.00 H new ATOM 555 N GLN A 44 4.565 2.405 4.711 1.00 0.00 N ATOM 556 CA GLN A 44 4.914 1.110 4.137 1.00 0.00 C ATOM 557 C GLN A 44 5.429 0.160 5.215 1.00 0.00 C ATOM 558 O GLN A 44 5.085 -1.024 5.241 1.00 0.00 O ATOM 559 CB GLN A 44 5.972 1.290 3.049 1.00 0.00 C ATOM 560 CG GLN A 44 5.542 2.241 1.946 1.00 0.00 C ATOM 561 CD GLN A 44 6.601 2.423 0.877 1.00 0.00 C ATOM 562 OE1 GLN A 44 6.642 1.686 -0.113 1.00 0.00 O ATOM 563 NE2 GLN A 44 7.451 3.419 1.064 1.00 0.00 N ATOM 0 H GLN A 44 5.191 3.166 4.445 1.00 0.00 H new ATOM 0 HA GLN A 44 4.017 0.675 3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.890 1.662 3.503 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.203 0.318 2.612 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.629 1.865 1.485 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.303 3.211 2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.378 4.002 1.898 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.179 3.604 0.374 1.00 0.00 H new ATOM 572 N GLU A 45 6.237 0.698 6.115 1.00 0.00 N ATOM 573 CA GLU A 45 6.881 -0.095 7.151 1.00 0.00 C ATOM 574 C GLU A 45 5.886 -0.544 8.219 1.00 0.00 C ATOM 575 O GLU A 45 5.933 -1.681 8.683 1.00 0.00 O ATOM 576 CB GLU A 45 8.003 0.720 7.796 1.00 0.00 C ATOM 577 CG GLU A 45 9.058 1.187 6.805 1.00 0.00 C ATOM 578 CD GLU A 45 9.849 0.040 6.215 1.00 0.00 C ATOM 579 OE1 GLU A 45 9.411 -0.530 5.192 1.00 0.00 O ATOM 580 OE2 GLU A 45 10.914 -0.295 6.779 1.00 0.00 O ATOM 0 H GLU A 45 6.464 1.692 6.148 1.00 0.00 H new ATOM 0 HA GLU A 45 7.293 -0.990 6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.571 1.589 8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.482 0.118 8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.575 1.743 6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.740 1.876 7.303 1.00 0.00 H new ATOM 587 N ARG A 46 4.978 0.350 8.595 1.00 0.00 N ATOM 588 CA ARG A 46 4.050 0.079 9.692 1.00 0.00 C ATOM 589 C ARG A 46 2.994 -0.956 9.317 1.00 0.00 C ATOM 590 O ARG A 46 2.562 -1.743 10.160 1.00 0.00 O ATOM 591 CB ARG A 46 3.358 1.368 10.150 1.00 0.00 C ATOM 592 CG ARG A 46 2.545 2.052 9.062 1.00 0.00 C ATOM 593 CD ARG A 46 1.668 3.156 9.627 1.00 0.00 C ATOM 594 NE ARG A 46 2.432 4.158 10.363 1.00 0.00 N ATOM 595 CZ ARG A 46 1.881 5.197 10.987 1.00 0.00 C ATOM 596 NH1 ARG A 46 0.567 5.392 10.928 1.00 0.00 N ATOM 597 NH2 ARG A 46 2.641 6.044 11.661 1.00 0.00 N ATOM 0 H ARG A 46 4.863 1.265 8.160 1.00 0.00 H new ATOM 0 HA ARG A 46 4.646 -0.328 10.509 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.702 1.138 10.989 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.113 2.063 10.517 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.218 2.469 8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.922 1.315 8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.130 3.641 8.812 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.919 2.718 10.287 1.00 0.00 H new ATOM 0 HE ARG A 46 3.446 4.057 10.402 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.022 4.745 10.404 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.148 6.189 11.407 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.650 5.901 11.703 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.218 6.840 12.139 1.00 0.00 H new ATOM 611 N ALA A 47 2.571 -0.956 8.062 1.00 0.00 N ATOM 612 CA ALA A 47 1.468 -1.812 7.645 1.00 0.00 C ATOM 613 C ALA A 47 1.953 -3.088 6.967 1.00 0.00 C ATOM 614 O ALA A 47 1.160 -3.975 6.657 1.00 0.00 O ATOM 615 CB ALA A 47 0.523 -1.050 6.730 1.00 0.00 C ATOM 0 H ALA A 47 2.969 -0.380 7.320 1.00 0.00 H new ATOM 0 HA ALA A 47 0.931 -2.110 8.546 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.296 -1.703 6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.121 -0.186 7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.065 -0.714 5.846 1.00 0.00 H new ATOM 621 N GLY A 48 3.262 -3.175 6.748 1.00 0.00 N ATOM 622 CA GLY A 48 3.830 -4.335 6.081 1.00 0.00 C ATOM 623 C GLY A 48 3.385 -4.435 4.638 1.00 0.00 C ATOM 624 O GLY A 48 3.267 -5.529 4.083 1.00 0.00 O ATOM 0 H GLY A 48 3.940 -2.463 7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.918 -4.280 6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.537 -5.239 6.614 1.00 0.00 H new ATOM 628 N VAL A 49 3.137 -3.284 4.038 1.00 0.00 N ATOM 629 CA VAL A 49 2.667 -3.204 2.664 1.00 0.00 C ATOM 630 C VAL A 49 3.591 -2.316 1.859 1.00 0.00 C ATOM 631 O VAL A 49 4.574 -1.786 2.379 1.00 0.00 O ATOM 632 CB VAL A 49 1.239 -2.610 2.573 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.226 -3.498 3.267 1.00 0.00 C ATOM 634 CG2 VAL A 49 1.202 -1.203 3.157 1.00 0.00 C ATOM 0 H VAL A 49 3.256 -2.377 4.489 1.00 0.00 H new ATOM 0 HA VAL A 49 2.654 -4.220 2.271 1.00 0.00 H new ATOM 0 HB VAL A 49 0.971 -2.556 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.765 -3.052 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.222 -4.482 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.492 -3.600 4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.190 -0.805 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.503 -1.236 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.886 -0.561 2.602 1.00 0.00 H new ATOM 644 N LYS A 50 3.284 -2.164 0.590 1.00 0.00 N ATOM 645 CA LYS A 50 3.926 -1.140 -0.202 1.00 0.00 C ATOM 646 C LYS A 50 2.881 -0.216 -0.791 1.00 0.00 C ATOM 647 O LYS A 50 1.943 -0.662 -1.448 1.00 0.00 O ATOM 648 CB LYS A 50 4.805 -1.702 -1.322 1.00 0.00 C ATOM 649 CG LYS A 50 5.416 -0.585 -2.157 1.00 0.00 C ATOM 650 CD LYS A 50 6.375 -1.085 -3.219 1.00 0.00 C ATOM 651 CE LYS A 50 6.900 0.079 -4.048 1.00 0.00 C ATOM 652 NZ LYS A 50 7.567 1.108 -3.201 1.00 0.00 N ATOM 0 H LYS A 50 2.600 -2.731 0.088 1.00 0.00 H new ATOM 0 HA LYS A 50 4.585 -0.592 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.598 -2.314 -0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.210 -2.354 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.616 -0.020 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.943 0.105 -1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.207 -1.610 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.870 -1.802 -3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.606 -0.293 -4.790 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.075 0.537 -4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.112 1.755 -3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.847 1.646 -2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.208 0.641 -2.528 1.00 0.00 H new ATOM 666 N MET A 51 3.043 1.064 -0.539 1.00 0.00 N ATOM 667 CA MET A 51 2.167 2.067 -1.098 1.00 0.00 C ATOM 668 C MET A 51 2.947 2.870 -2.113 1.00 0.00 C ATOM 669 O MET A 51 3.909 3.552 -1.761 1.00 0.00 O ATOM 670 CB MET A 51 1.644 3.002 -0.006 1.00 0.00 C ATOM 671 CG MET A 51 0.994 2.290 1.159 1.00 0.00 C ATOM 672 SD MET A 51 0.485 3.436 2.448 1.00 0.00 S ATOM 673 CE MET A 51 0.118 2.298 3.773 1.00 0.00 C ATOM 0 H MET A 51 3.782 1.437 0.057 1.00 0.00 H new ATOM 0 HA MET A 51 1.314 1.577 -1.567 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.471 3.606 0.367 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.922 3.689 -0.447 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.126 1.733 0.805 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.692 1.563 1.575 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.768 2.638 4.309 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.066 1.306 3.360 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.963 2.254 4.460 1.00 0.00 H new ATOM 683 N ILE A 52 2.564 2.778 -3.367 1.00 0.00 N ATOM 684 CA ILE A 52 3.227 3.552 -4.389 1.00 0.00 C ATOM 685 C ILE A 52 2.337 4.700 -4.836 1.00 0.00 C ATOM 686 O ILE A 52 1.329 4.506 -5.516 1.00 0.00 O ATOM 687 CB ILE A 52 3.666 2.683 -5.596 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.257 3.564 -6.703 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.514 1.835 -6.123 1.00 0.00 C ATOM 690 CD1 ILE A 52 4.766 2.783 -7.896 1.00 0.00 C ATOM 0 H ILE A 52 1.806 2.182 -3.700 1.00 0.00 H new ATOM 0 HA ILE A 52 4.139 3.960 -3.953 1.00 0.00 H new ATOM 0 HB ILE A 52 4.440 1.997 -5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.496 4.269 -7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.076 4.152 -6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.858 1.239 -6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.158 1.173 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.701 2.486 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.169 3.473 -8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.550 2.097 -7.574 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.946 2.216 -8.336 1.00 0.00 H new ATOM 702 N LEU A 53 2.690 5.891 -4.389 1.00 0.00 N ATOM 703 CA LEU A 53 2.004 7.094 -4.815 1.00 0.00 C ATOM 704 C LEU A 53 2.667 7.619 -6.075 1.00 0.00 C ATOM 705 O LEU A 53 3.732 8.230 -6.007 1.00 0.00 O ATOM 706 CB LEU A 53 2.052 8.172 -3.714 1.00 0.00 C ATOM 707 CG LEU A 53 1.038 8.038 -2.568 1.00 0.00 C ATOM 708 CD1 LEU A 53 -0.386 8.023 -3.099 1.00 0.00 C ATOM 709 CD2 LEU A 53 1.312 6.802 -1.729 1.00 0.00 C ATOM 0 H LEU A 53 3.451 6.050 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 53 0.959 6.855 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.053 8.173 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.906 9.144 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 53 1.152 8.910 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.084 7.927 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.585 8.952 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.512 7.179 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.577 6.737 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.244 5.914 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.312 6.868 -1.300 1.00 0.00 H new ATOM 721 N ILE A 54 2.052 7.374 -7.223 1.00 0.00 N ATOM 722 CA ILE A 54 2.594 7.862 -8.477 1.00 0.00 C ATOM 723 C ILE A 54 2.247 9.336 -8.627 1.00 0.00 C ATOM 724 O ILE A 54 1.229 9.698 -9.212 1.00 0.00 O ATOM 725 CB ILE A 54 2.058 7.060 -9.687 1.00 0.00 C ATOM 726 CG1 ILE A 54 2.278 5.559 -9.465 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.744 7.509 -10.971 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.732 4.688 -10.577 1.00 0.00 C ATOM 0 H ILE A 54 1.185 6.844 -7.310 1.00 0.00 H new ATOM 0 HA ILE A 54 3.676 7.732 -8.459 1.00 0.00 H new ATOM 0 HB ILE A 54 0.989 7.249 -9.782 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.346 5.370 -9.360 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.809 5.268 -8.525 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.355 6.934 -11.812 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.550 8.569 -11.135 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.818 7.345 -10.886 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.926 3.640 -10.347 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.657 4.846 -10.669 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.219 4.950 -11.516 1.00 0.00 H new ATOM 740 N GLN A 55 3.095 10.183 -8.068 1.00 0.00 N ATOM 741 CA GLN A 55 2.833 11.610 -8.037 1.00 0.00 C ATOM 742 C GLN A 55 3.856 12.383 -8.847 1.00 0.00 C ATOM 743 O GLN A 55 3.581 13.494 -9.297 1.00 0.00 O ATOM 744 CB GLN A 55 2.770 12.110 -6.583 1.00 0.00 C ATOM 745 CG GLN A 55 3.889 11.601 -5.677 1.00 0.00 C ATOM 746 CD GLN A 55 5.223 12.282 -5.918 1.00 0.00 C ATOM 747 OE1 GLN A 55 5.280 13.453 -6.292 1.00 0.00 O ATOM 748 NE2 GLN A 55 6.307 11.550 -5.714 1.00 0.00 N ATOM 0 H GLN A 55 3.973 9.905 -7.629 1.00 0.00 H new ATOM 0 HA GLN A 55 1.863 11.787 -8.501 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.794 13.200 -6.588 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.813 11.814 -6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.598 11.748 -4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.006 10.528 -5.826 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.218 10.582 -5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.231 11.954 -5.867 1.00 0.00 H new ATOM 757 N ASP A 56 5.021 11.789 -9.041 1.00 0.00 N ATOM 758 CA ASP A 56 6.078 12.425 -9.807 1.00 0.00 C ATOM 759 C ASP A 56 6.495 11.526 -10.964 1.00 0.00 C ATOM 760 O ASP A 56 7.132 11.976 -11.914 1.00 0.00 O ATOM 761 CB ASP A 56 7.280 12.732 -8.910 1.00 0.00 C ATOM 762 CG ASP A 56 8.297 13.628 -9.588 1.00 0.00 C ATOM 763 OD1 ASP A 56 8.051 14.853 -9.671 1.00 0.00 O ATOM 764 OD2 ASP A 56 9.348 13.122 -10.035 1.00 0.00 O ATOM 0 H ASP A 56 5.259 10.866 -8.678 1.00 0.00 H new ATOM 0 HA ASP A 56 5.702 13.366 -10.209 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.933 13.210 -7.994 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.760 11.798 -8.619 1.00 0.00 H new ATOM 769 N GLY A 57 6.089 10.258 -10.905 1.00 0.00 N ATOM 770 CA GLY A 57 6.470 9.300 -11.934 1.00 0.00 C ATOM 771 C GLY A 57 5.615 9.408 -13.188 1.00 0.00 C ATOM 772 O GLY A 57 5.445 8.430 -13.919 1.00 0.00 O ATOM 0 H GLY A 57 5.503 9.876 -10.163 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.516 9.455 -12.199 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.390 8.290 -11.531 1.00 0.00 H new ATOM 776 N SER A 58 5.088 10.603 -13.428 1.00 0.00 N ATOM 777 CA SER A 58 4.251 10.888 -14.589 1.00 0.00 C ATOM 778 C SER A 58 3.008 9.998 -14.621 1.00 0.00 C ATOM 779 O SER A 58 2.547 9.537 -13.575 1.00 0.00 O ATOM 780 CB SER A 58 5.060 10.735 -15.877 1.00 0.00 C ATOM 781 OG SER A 58 6.246 11.515 -15.824 1.00 0.00 O ATOM 0 H SER A 58 5.230 11.408 -12.818 1.00 0.00 H new ATOM 0 HA SER A 58 3.910 11.920 -14.509 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.316 9.686 -16.029 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.455 11.042 -16.730 1.00 0.00 H new ATOM 0 HG SER A 58 6.750 11.401 -16.657 1.00 0.00 H new ATOM 787 N GLN A 59 2.463 9.795 -15.826 1.00 0.00 N ATOM 788 CA GLN A 59 1.252 8.995 -16.047 1.00 0.00 C ATOM 789 C GLN A 59 0.021 9.749 -15.555 1.00 0.00 C ATOM 790 O GLN A 59 -0.868 10.085 -16.335 1.00 0.00 O ATOM 791 CB GLN A 59 1.354 7.615 -15.384 1.00 0.00 C ATOM 792 CG GLN A 59 2.582 6.833 -15.817 1.00 0.00 C ATOM 793 CD GLN A 59 2.592 5.394 -15.339 1.00 0.00 C ATOM 794 OE1 GLN A 59 2.032 5.060 -14.295 1.00 0.00 O ATOM 795 NE2 GLN A 59 3.255 4.532 -16.097 1.00 0.00 N ATOM 0 H GLN A 59 2.854 10.185 -16.684 1.00 0.00 H new ATOM 0 HA GLN A 59 1.152 8.829 -17.120 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.374 7.740 -14.301 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.461 7.038 -15.622 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.644 6.845 -16.905 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.473 7.337 -15.442 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.706 4.849 -16.955 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.315 3.552 -15.822 1.00 0.00 H new ATOM 804 N ASN A 60 -0.014 10.026 -14.263 1.00 0.00 N ATOM 805 CA ASN A 60 -1.064 10.842 -13.674 1.00 0.00 C ATOM 806 C ASN A 60 -0.441 11.903 -12.777 1.00 0.00 C ATOM 807 O ASN A 60 -0.870 12.121 -11.644 1.00 0.00 O ATOM 808 CB ASN A 60 -2.054 9.985 -12.880 1.00 0.00 C ATOM 809 CG ASN A 60 -3.019 9.201 -13.756 1.00 0.00 C ATOM 810 OD1 ASN A 60 -3.452 8.107 -13.395 1.00 0.00 O ATOM 811 ND2 ASN A 60 -3.375 9.748 -14.910 1.00 0.00 N ATOM 0 H ASN A 60 0.681 9.694 -13.594 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.618 11.327 -14.478 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.497 9.288 -12.253 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.625 10.629 -12.211 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.025 9.260 -15.526 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.999 10.656 -15.181 1.00 0.00 H new ATOM 818 N THR A 61 0.581 12.561 -13.298 1.00 0.00 N ATOM 819 CA THR A 61 1.328 13.552 -12.543 1.00 0.00 C ATOM 820 C THR A 61 0.502 14.799 -12.268 1.00 0.00 C ATOM 821 O THR A 61 0.419 15.263 -11.132 1.00 0.00 O ATOM 822 CB THR A 61 2.591 13.957 -13.308 1.00 0.00 C ATOM 823 OG1 THR A 61 2.584 13.330 -14.597 1.00 0.00 O ATOM 824 CG2 THR A 61 3.841 13.559 -12.544 1.00 0.00 C ATOM 0 H THR A 61 0.915 12.424 -14.252 1.00 0.00 H new ATOM 0 HA THR A 61 1.592 13.095 -11.590 1.00 0.00 H new ATOM 0 HB THR A 61 2.598 15.041 -13.425 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.188 13.813 -15.199 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.724 13.858 -13.109 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.847 14.054 -11.573 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.851 12.479 -12.400 1.00 0.00 H new ATOM 832 N ASN A 62 -0.117 15.330 -13.308 1.00 0.00 N ATOM 833 CA ASN A 62 -0.848 16.592 -13.194 1.00 0.00 C ATOM 834 C ASN A 62 -2.296 16.376 -12.755 1.00 0.00 C ATOM 835 O ASN A 62 -3.092 17.316 -12.741 1.00 0.00 O ATOM 836 CB ASN A 62 -0.820 17.358 -14.523 1.00 0.00 C ATOM 837 CG ASN A 62 -1.609 16.673 -15.625 1.00 0.00 C ATOM 838 OD1 ASN A 62 -1.696 15.446 -15.681 1.00 0.00 O ATOM 839 ND2 ASN A 62 -2.191 17.468 -16.509 1.00 0.00 N ATOM 0 H ASN A 62 -0.132 14.914 -14.239 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.346 17.182 -12.427 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.221 18.359 -14.366 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.215 17.476 -14.845 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.736 17.069 -17.273 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.094 18.480 -16.426 1.00 0.00 H new ATOM 846 N VAL A 63 -2.632 15.148 -12.388 1.00 0.00 N ATOM 847 CA VAL A 63 -3.994 14.814 -11.991 1.00 0.00 C ATOM 848 C VAL A 63 -4.000 14.007 -10.697 1.00 0.00 C ATOM 849 O VAL A 63 -3.054 14.087 -9.906 1.00 0.00 O ATOM 850 CB VAL A 63 -4.724 14.014 -13.094 1.00 0.00 C ATOM 851 CG1 VAL A 63 -4.960 14.873 -14.328 1.00 0.00 C ATOM 852 CG2 VAL A 63 -3.944 12.768 -13.459 1.00 0.00 C ATOM 0 H VAL A 63 -1.980 14.364 -12.357 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.521 15.755 -11.833 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.694 13.712 -12.700 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.475 14.285 -15.088 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.571 15.735 -14.060 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.003 15.215 -14.721 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.476 12.220 -14.237 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.957 13.051 -13.825 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.837 12.135 -12.578 1.00 0.00 H new ATOM 862 N ASP A 64 -5.072 13.251 -10.477 1.00 0.00 N ATOM 863 CA ASP A 64 -5.180 12.392 -9.301 1.00 0.00 C ATOM 864 C ASP A 64 -4.065 11.353 -9.294 1.00 0.00 C ATOM 865 O ASP A 64 -3.533 10.986 -10.341 1.00 0.00 O ATOM 866 CB ASP A 64 -6.541 11.694 -9.243 1.00 0.00 C ATOM 867 CG ASP A 64 -7.677 12.645 -8.923 1.00 0.00 C ATOM 868 OD1 ASP A 64 -7.776 13.099 -7.765 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.490 12.928 -9.827 1.00 0.00 O ATOM 0 H ASP A 64 -5.880 13.216 -11.099 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.083 13.027 -8.420 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.737 11.210 -10.200 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.509 10.907 -8.489 1.00 0.00 H new ATOM 874 N LYS A 65 -3.733 10.873 -8.112 1.00 0.00 N ATOM 875 CA LYS A 65 -2.558 10.038 -7.924 1.00 0.00 C ATOM 876 C LYS A 65 -2.917 8.568 -7.863 1.00 0.00 C ATOM 877 O LYS A 65 -3.703 8.155 -7.014 1.00 0.00 O ATOM 878 CB LYS A 65 -1.848 10.428 -6.634 1.00 0.00 C ATOM 879 CG LYS A 65 -1.559 11.913 -6.539 1.00 0.00 C ATOM 880 CD LYS A 65 -0.629 12.360 -7.648 1.00 0.00 C ATOM 881 CE LYS A 65 -0.475 13.870 -7.663 1.00 0.00 C ATOM 882 NZ LYS A 65 0.542 14.327 -8.644 1.00 0.00 N ATOM 0 H LYS A 65 -4.264 11.048 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.903 10.197 -8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.461 10.128 -5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.911 9.876 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.493 12.473 -6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.111 12.138 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.348 11.894 -7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.017 12.022 -8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.435 14.328 -7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.195 14.214 -6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.212 14.970 -8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.056 13.505 -9.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.071 14.827 -9.425 1.00 0.00 H new ATOM 896 N PRO A 66 -2.348 7.767 -8.769 1.00 0.00 N ATOM 897 CA PRO A 66 -2.485 6.314 -8.737 1.00 0.00 C ATOM 898 C PRO A 66 -1.795 5.728 -7.511 1.00 0.00 C ATOM 899 O PRO A 66 -0.564 5.696 -7.432 1.00 0.00 O ATOM 900 CB PRO A 66 -1.779 5.847 -10.016 1.00 0.00 C ATOM 901 CG PRO A 66 -1.659 7.064 -10.864 1.00 0.00 C ATOM 902 CD PRO A 66 -1.534 8.213 -9.906 1.00 0.00 C ATOM 0 HA PRO A 66 -3.527 5.997 -8.684 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.799 5.425 -9.793 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.353 5.070 -10.521 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.789 7.002 -11.517 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.532 7.182 -11.506 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.498 8.391 -9.618 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.910 9.142 -10.335 1.00 0.00 H new ATOM 910 N LEU A 67 -2.588 5.293 -6.551 1.00 0.00 N ATOM 911 CA LEU A 67 -2.062 4.715 -5.329 1.00 0.00 C ATOM 912 C LEU A 67 -2.314 3.223 -5.300 1.00 0.00 C ATOM 913 O LEU A 67 -3.454 2.781 -5.212 1.00 0.00 O ATOM 914 CB LEU A 67 -2.699 5.377 -4.103 1.00 0.00 C ATOM 915 CG LEU A 67 -2.484 4.639 -2.773 1.00 0.00 C ATOM 916 CD1 LEU A 67 -1.005 4.450 -2.486 1.00 0.00 C ATOM 917 CD2 LEU A 67 -3.152 5.389 -1.632 1.00 0.00 C ATOM 0 H LEU A 67 -3.606 5.329 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.987 4.892 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.300 6.387 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.771 5.472 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.942 3.654 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.882 3.925 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.551 3.866 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.519 5.424 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.989 4.851 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.725 6.389 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.222 5.466 -1.824 1.00 0.00 H new ATOM 929 N ARG A 68 -1.251 2.453 -5.389 1.00 0.00 N ATOM 930 CA ARG A 68 -1.358 1.014 -5.260 1.00 0.00 C ATOM 931 C ARG A 68 -0.921 0.574 -3.875 1.00 0.00 C ATOM 932 O ARG A 68 0.264 0.640 -3.542 1.00 0.00 O ATOM 933 CB ARG A 68 -0.511 0.297 -6.313 1.00 0.00 C ATOM 934 CG ARG A 68 -1.082 0.381 -7.716 1.00 0.00 C ATOM 935 CD ARG A 68 -0.274 -0.449 -8.700 1.00 0.00 C ATOM 936 NE ARG A 68 -0.893 -0.481 -10.025 1.00 0.00 N ATOM 937 CZ ARG A 68 -0.394 -1.150 -11.062 1.00 0.00 C ATOM 938 NH1 ARG A 68 0.769 -1.781 -10.958 1.00 0.00 N ATOM 939 NH2 ARG A 68 -1.050 -1.179 -12.213 1.00 0.00 N ATOM 0 H ARG A 68 -0.304 2.797 -5.550 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.403 0.746 -5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.492 0.724 -6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.411 -0.752 -6.033 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.116 0.035 -7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.096 1.421 -8.042 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.733 -0.039 -8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.175 -1.466 -8.321 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.759 0.040 -10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.286 -1.755 -10.079 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.145 -2.292 -11.757 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.939 -0.688 -12.306 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.666 -1.692 -13.006 1.00 0.00 H new ATOM 953 N ILE A 69 -1.880 0.163 -3.061 1.00 0.00 N ATOM 954 CA ILE A 69 -1.561 -0.460 -1.789 1.00 0.00 C ATOM 955 C ILE A 69 -1.376 -1.954 -2.021 1.00 0.00 C ATOM 956 O ILE A 69 -2.346 -2.683 -2.232 1.00 0.00 O ATOM 957 CB ILE A 69 -2.645 -0.233 -0.702 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.940 1.257 -0.507 1.00 0.00 C ATOM 959 CG2 ILE A 69 -2.203 -0.848 0.618 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.986 1.801 -1.452 1.00 0.00 C ATOM 0 H ILE A 69 -2.877 0.249 -3.257 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.649 0.004 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.560 -0.719 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.270 1.421 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.017 1.821 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.972 -0.682 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.049 -1.919 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.271 -0.384 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.140 2.861 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.650 1.670 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.923 1.264 -1.305 1.00 0.00 H new ATOM 972 N ILE A 70 -0.128 -2.387 -2.019 1.00 0.00 N ATOM 973 CA ILE A 70 0.219 -3.763 -2.342 1.00 0.00 C ATOM 974 C ILE A 70 0.460 -4.568 -1.067 1.00 0.00 C ATOM 975 O ILE A 70 1.322 -4.213 -0.258 1.00 0.00 O ATOM 976 CB ILE A 70 1.490 -3.809 -3.219 1.00 0.00 C ATOM 977 CG1 ILE A 70 1.405 -2.760 -4.339 1.00 0.00 C ATOM 978 CG2 ILE A 70 1.684 -5.200 -3.806 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.676 -2.626 -5.149 1.00 0.00 C ATOM 0 H ILE A 70 0.673 -1.798 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.615 -4.200 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 70 2.351 -3.578 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.585 -3.022 -5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.161 -1.793 -3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.584 -5.213 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.786 -5.925 -2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.821 -5.459 -4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.538 -1.867 -5.919 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.496 -2.333 -4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.911 -3.581 -5.618 1.00 0.00 H new ATOM 991 N GLY A 71 -0.313 -5.633 -0.882 1.00 0.00 N ATOM 992 CA GLY A 71 -0.151 -6.475 0.290 1.00 0.00 C ATOM 993 C GLY A 71 -1.221 -7.546 0.403 1.00 0.00 C ATOM 994 O GLY A 71 -1.572 -8.196 -0.582 1.00 0.00 O ATOM 0 H GLY A 71 -1.049 -5.929 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.829 -6.951 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.172 -5.852 1.184 1.00 0.00 H new ATOM 998 N ASP A 72 -1.739 -7.713 1.611 1.00 0.00 N ATOM 999 CA ASP A 72 -2.775 -8.686 1.898 1.00 0.00 C ATOM 1000 C ASP A 72 -4.104 -7.971 2.025 1.00 0.00 C ATOM 1001 O ASP A 72 -4.116 -6.774 2.309 1.00 0.00 O ATOM 1002 CB ASP A 72 -2.483 -9.407 3.218 1.00 0.00 C ATOM 1003 CG ASP A 72 -1.473 -10.531 3.110 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -0.258 -10.254 3.044 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -1.891 -11.701 3.140 1.00 0.00 O ATOM 0 H ASP A 72 -1.448 -7.171 2.424 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.805 -9.415 1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.120 -8.678 3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.416 -9.811 3.611 1.00 0.00 H new ATOM 1010 N PRO A 73 -5.234 -8.664 1.841 1.00 0.00 N ATOM 1011 CA PRO A 73 -6.557 -8.043 1.953 1.00 0.00 C ATOM 1012 C PRO A 73 -6.700 -7.203 3.223 1.00 0.00 C ATOM 1013 O PRO A 73 -7.270 -6.109 3.200 1.00 0.00 O ATOM 1014 CB PRO A 73 -7.504 -9.241 1.988 1.00 0.00 C ATOM 1015 CG PRO A 73 -6.791 -10.303 1.227 1.00 0.00 C ATOM 1016 CD PRO A 73 -5.324 -10.096 1.498 1.00 0.00 C ATOM 0 HA PRO A 73 -6.756 -7.350 1.136 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.708 -9.555 3.011 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.464 -9.002 1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.111 -11.294 1.548 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.005 -10.229 0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.974 -10.727 2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.717 -10.338 0.626 1.00 0.00 H new ATOM 1024 N TYR A 74 -6.140 -7.705 4.323 1.00 0.00 N ATOM 1025 CA TYR A 74 -6.228 -7.021 5.606 1.00 0.00 C ATOM 1026 C TYR A 74 -5.445 -5.713 5.589 1.00 0.00 C ATOM 1027 O TYR A 74 -6.019 -4.633 5.722 1.00 0.00 O ATOM 1028 CB TYR A 74 -5.683 -7.900 6.735 1.00 0.00 C ATOM 1029 CG TYR A 74 -6.203 -9.315 6.734 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -7.530 -9.591 7.024 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -5.354 -10.377 6.463 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -8.000 -10.891 7.041 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -5.813 -11.677 6.473 1.00 0.00 C ATOM 1034 CZ TYR A 74 -7.134 -11.931 6.766 1.00 0.00 C ATOM 1035 OH TYR A 74 -7.590 -13.230 6.784 1.00 0.00 O ATOM 0 H TYR A 74 -5.621 -8.583 4.348 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.283 -6.810 5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.596 -7.926 6.665 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.930 -7.437 7.690 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.207 -8.778 7.240 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.315 -10.183 6.240 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.037 -11.092 7.268 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.140 -12.492 6.252 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.495 -13.264 6.410 1.00 0.00 H new ATOM 1045 N LYS A 75 -4.129 -5.814 5.402 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.260 -4.648 5.494 1.00 0.00 C ATOM 1047 C LYS A 75 -3.508 -3.662 4.366 1.00 0.00 C ATOM 1048 O LYS A 75 -3.267 -2.477 4.531 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.779 -5.045 5.545 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.363 -6.109 4.542 1.00 0.00 C ATOM 1051 CD LYS A 75 0.079 -6.557 4.789 1.00 0.00 C ATOM 1052 CE LYS A 75 0.583 -7.521 3.725 1.00 0.00 C ATOM 1053 NZ LYS A 75 1.952 -8.018 4.024 1.00 0.00 N ATOM 0 H LYS A 75 -3.647 -6.687 5.187 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.510 -4.151 6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.174 -4.154 5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.549 -5.403 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.032 -6.966 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.458 -5.717 3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.728 -5.681 4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.145 -7.034 5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.101 -8.367 3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.582 -7.023 2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.349 -8.473 3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.558 -7.220 4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.909 -8.709 4.800 1.00 0.00 H new ATOM 1067 N VAL A 76 -4.007 -4.134 3.234 1.00 0.00 N ATOM 1068 CA VAL A 76 -4.312 -3.240 2.124 1.00 0.00 C ATOM 1069 C VAL A 76 -5.540 -2.399 2.453 1.00 0.00 C ATOM 1070 O VAL A 76 -5.618 -1.221 2.103 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.531 -4.017 0.806 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -5.095 -3.116 -0.279 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -3.221 -4.632 0.344 1.00 0.00 C ATOM 0 H VAL A 76 -4.208 -5.119 3.059 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.454 -2.584 1.979 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.256 -4.809 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.237 -3.692 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.053 -2.710 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.400 -2.298 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.383 -5.178 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.487 -3.843 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.851 -5.317 1.107 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.476 -3.002 3.168 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.681 -2.317 3.586 1.00 0.00 C ATOM 1085 C GLN A 77 -7.328 -1.355 4.713 1.00 0.00 C ATOM 1086 O GLN A 77 -7.623 -0.159 4.641 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.723 -3.348 4.040 1.00 0.00 C ATOM 1088 CG GLN A 77 -10.161 -2.846 4.053 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.476 -1.938 5.226 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -10.880 -2.397 6.292 1.00 0.00 O ATOM 1091 NE2 GLN A 77 -10.330 -0.641 5.031 1.00 0.00 N ATOM 0 H GLN A 77 -6.420 -3.974 3.472 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.107 -1.749 2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.663 -4.216 3.384 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.463 -3.688 5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.358 -2.309 3.125 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.836 -3.702 4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.992 -0.295 4.133 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.555 0.016 5.778 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.650 -1.878 5.730 1.00 0.00 N ATOM 1101 CA GLN A 78 -6.260 -1.075 6.885 1.00 0.00 C ATOM 1102 C GLN A 78 -5.363 0.090 6.478 1.00 0.00 C ATOM 1103 O GLN A 78 -5.490 1.196 7.001 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.557 -1.942 7.925 1.00 0.00 C ATOM 1105 CG GLN A 78 -6.507 -2.815 8.723 1.00 0.00 C ATOM 1106 CD GLN A 78 -5.786 -3.734 9.688 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -4.680 -4.200 9.414 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -6.397 -3.978 10.837 1.00 0.00 N ATOM 0 H GLN A 78 -6.359 -2.854 5.778 1.00 0.00 H new ATOM 0 HA GLN A 78 -7.169 -0.662 7.323 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.826 -2.577 7.424 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.004 -1.299 8.610 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.197 -2.180 9.279 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.107 -3.413 8.037 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.314 -3.571 11.024 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.951 -4.573 11.536 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.462 -0.160 5.542 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.568 0.877 5.055 1.00 0.00 C ATOM 1119 C ALA A 79 -4.331 1.938 4.272 1.00 0.00 C ATOM 1120 O ALA A 79 -4.018 3.126 4.355 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.478 0.271 4.194 1.00 0.00 C ATOM 0 H ALA A 79 -4.331 -1.072 5.104 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.109 1.359 5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.816 1.060 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.905 -0.445 4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.928 -0.239 3.342 1.00 0.00 H new ATOM 1127 N CYS A 80 -5.339 1.505 3.526 1.00 0.00 N ATOM 1128 CA CYS A 80 -6.135 2.411 2.711 1.00 0.00 C ATOM 1129 C CYS A 80 -6.947 3.352 3.586 1.00 0.00 C ATOM 1130 O CYS A 80 -6.950 4.561 3.362 1.00 0.00 O ATOM 1131 CB CYS A 80 -7.057 1.620 1.779 1.00 0.00 C ATOM 1132 SG CYS A 80 -8.067 2.643 0.683 1.00 0.00 S ATOM 0 H CYS A 80 -5.625 0.528 3.469 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.456 3.010 2.104 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.450 0.948 1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.716 0.996 2.383 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.619 3.600 1.369 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.615 2.817 4.597 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.381 3.661 5.500 1.00 0.00 C ATOM 1140 C GLU A 81 -7.450 4.502 6.370 1.00 0.00 C ATOM 1141 O GLU A 81 -7.861 5.515 6.934 1.00 0.00 O ATOM 1142 CB GLU A 81 -9.344 2.837 6.360 1.00 0.00 C ATOM 1143 CG GLU A 81 -8.695 1.709 7.141 1.00 0.00 C ATOM 1144 CD GLU A 81 -9.682 1.037 8.072 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -10.638 0.403 7.573 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -9.525 1.159 9.305 1.00 0.00 O ATOM 0 H GLU A 81 -7.643 1.820 4.810 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.985 4.336 4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.844 3.505 7.061 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.115 2.416 5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.288 0.973 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.857 2.100 7.718 1.00 0.00 H new ATOM 1153 N MET A 82 -6.193 4.079 6.470 1.00 0.00 N ATOM 1154 CA MET A 82 -5.186 4.849 7.189 1.00 0.00 C ATOM 1155 C MET A 82 -4.745 6.053 6.363 1.00 0.00 C ATOM 1156 O MET A 82 -4.694 7.174 6.866 1.00 0.00 O ATOM 1157 CB MET A 82 -3.974 3.977 7.532 1.00 0.00 C ATOM 1158 CG MET A 82 -2.917 4.700 8.350 1.00 0.00 C ATOM 1159 SD MET A 82 -1.533 3.633 8.790 1.00 0.00 S ATOM 1160 CE MET A 82 -0.992 3.105 7.168 1.00 0.00 C ATOM 0 H MET A 82 -5.849 3.209 6.063 1.00 0.00 H new ATOM 0 HA MET A 82 -5.632 5.202 8.119 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.312 3.100 8.084 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.523 3.617 6.608 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.547 5.555 7.784 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.372 5.093 9.259 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.096 3.136 7.120 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.335 2.087 6.984 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.408 3.770 6.411 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.442 5.824 5.089 1.00 0.00 N ATOM 1171 CA VAL A 83 -4.007 6.907 4.215 1.00 0.00 C ATOM 1172 C VAL A 83 -5.174 7.827 3.869 1.00 0.00 C ATOM 1173 O VAL A 83 -4.995 9.033 3.728 1.00 0.00 O ATOM 1174 CB VAL A 83 -3.332 6.393 2.919 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -2.060 5.630 3.251 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -4.278 5.531 2.096 1.00 0.00 C ATOM 0 H VAL A 83 -4.489 4.908 4.643 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.257 7.471 4.770 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.072 7.261 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.598 5.275 2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.367 6.288 3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.302 4.778 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.768 5.190 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.590 4.669 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.154 6.116 1.817 1.00 0.00 H new ATOM 1186 N MET A 84 -6.374 7.261 3.764 1.00 0.00 N ATOM 1187 CA MET A 84 -7.569 8.068 3.547 1.00 0.00 C ATOM 1188 C MET A 84 -7.859 8.915 4.774 1.00 0.00 C ATOM 1189 O MET A 84 -8.450 9.991 4.673 1.00 0.00 O ATOM 1190 CB MET A 84 -8.785 7.201 3.204 1.00 0.00 C ATOM 1191 CG MET A 84 -8.767 6.659 1.785 1.00 0.00 C ATOM 1192 SD MET A 84 -10.265 5.742 1.375 1.00 0.00 S ATOM 1193 CE MET A 84 -9.985 5.401 -0.362 1.00 0.00 C ATOM 0 H MET A 84 -6.543 6.257 3.825 1.00 0.00 H new ATOM 0 HA MET A 84 -7.377 8.721 2.695 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.833 6.365 3.902 1.00 0.00 H new ATOM 0 HB3 MET A 84 -9.692 7.789 3.348 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.649 7.486 1.085 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.901 6.009 1.659 1.00 0.00 H new ATOM 0 HE1 MET A 84 -10.559 4.522 -0.657 1.00 0.00 H new ATOM 0 HE2 MET A 84 -10.302 6.258 -0.957 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.924 5.215 -0.530 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.430 8.429 5.933 1.00 0.00 N ATOM 1204 CA ASP A 85 -7.571 9.185 7.176 1.00 0.00 C ATOM 1205 C ASP A 85 -6.729 10.454 7.130 1.00 0.00 C ATOM 1206 O ASP A 85 -7.205 11.539 7.465 1.00 0.00 O ATOM 1207 CB ASP A 85 -7.179 8.334 8.386 1.00 0.00 C ATOM 1208 CG ASP A 85 -7.049 9.142 9.661 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -8.074 9.354 10.347 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -5.923 9.555 9.994 1.00 0.00 O ATOM 0 H ASP A 85 -6.983 7.518 6.040 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.620 9.464 7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.926 7.554 8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.232 7.835 8.181 1.00 0.00 H new ATOM 1215 N ILE A 86 -5.494 10.314 6.674 1.00 0.00 N ATOM 1216 CA ILE A 86 -4.579 11.444 6.557 1.00 0.00 C ATOM 1217 C ILE A 86 -5.113 12.469 5.554 1.00 0.00 C ATOM 1218 O ILE A 86 -4.766 13.648 5.602 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.173 10.977 6.109 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -2.695 9.816 6.986 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -2.178 12.129 6.170 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.375 9.220 6.542 1.00 0.00 C ATOM 0 H ILE A 86 -5.098 9.422 6.376 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.502 11.907 7.541 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.238 10.634 5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.598 10.165 8.014 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.455 9.035 6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.196 11.779 5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.509 12.931 5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.116 12.502 7.192 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.101 8.404 7.210 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.471 8.840 5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.601 9.987 6.571 1.00 0.00 H new ATOM 1234 N LEU A 87 -5.975 12.013 4.657 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.495 12.865 3.602 1.00 0.00 C ATOM 1236 C LEU A 87 -7.863 13.440 3.963 1.00 0.00 C ATOM 1237 O LEU A 87 -8.349 14.356 3.298 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.593 12.078 2.296 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.297 11.402 1.849 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -5.512 10.662 0.542 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -4.179 12.422 1.715 1.00 0.00 C ATOM 0 H LEU A 87 -6.328 11.056 4.640 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.803 13.698 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.364 11.315 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.924 12.753 1.507 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.004 10.678 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.581 10.186 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.281 9.902 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.829 11.366 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.265 11.921 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.458 13.173 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.010 12.906 2.677 1.00 0.00 H new ATOM 1253 N ARG A 88 -8.480 12.909 5.012 1.00 0.00 N ATOM 1254 CA ARG A 88 -9.819 13.340 5.409 1.00 0.00 C ATOM 1255 C ARG A 88 -9.732 14.293 6.584 1.00 0.00 C ATOM 1256 O ARG A 88 -10.614 15.124 6.809 1.00 0.00 O ATOM 1257 CB ARG A 88 -10.678 12.132 5.802 1.00 0.00 C ATOM 1258 CG ARG A 88 -10.260 11.523 7.128 1.00 0.00 C ATOM 1259 CD ARG A 88 -10.976 10.224 7.434 1.00 0.00 C ATOM 1260 NE ARG A 88 -10.498 9.637 8.688 1.00 0.00 N ATOM 1261 CZ ARG A 88 -11.158 8.718 9.388 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -12.290 8.203 8.921 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -10.656 8.284 10.536 1.00 0.00 N ATOM 0 H ARG A 88 -8.078 12.181 5.603 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.280 13.846 4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.723 12.438 5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -10.611 11.374 5.021 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.185 11.345 7.117 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.457 12.237 7.928 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.049 10.404 7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.821 9.519 6.617 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.598 9.954 9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.658 8.512 8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.791 7.499 9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.769 8.655 10.877 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.157 7.580 11.078 1.00 0.00 H new ATOM 1277 N GLU A 89 -8.644 14.166 7.306 1.00 0.00 N ATOM 1278 CA GLU A 89 -8.457 14.855 8.567 1.00 0.00 C ATOM 1279 C GLU A 89 -7.405 15.942 8.434 1.00 0.00 C ATOM 1280 O GLU A 89 -6.230 15.607 8.194 1.00 0.00 O ATOM 1281 CB GLU A 89 -8.063 13.853 9.657 1.00 0.00 C ATOM 1282 CG GLU A 89 -9.196 12.938 10.086 1.00 0.00 C ATOM 1283 CD GLU A 89 -10.397 13.697 10.605 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -10.348 14.188 11.753 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -11.399 13.802 9.871 1.00 0.00 O ATOM 1286 OXT GLU A 89 -7.753 17.132 8.573 1.00 0.00 O ATOM 0 H GLU A 89 -7.856 13.578 7.035 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.397 15.329 8.849 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.234 13.245 9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.701 14.401 10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.499 12.321 9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.837 12.261 10.861 1.00 0.00 H new TER 1293 GLU A 89