USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 740 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 68 SER OG : rot -71:sc= -0.549 USER MOD Set 1.2: A 71 GLN : amide:sc= 0.168 X(o=-0.38,f=-0.4) USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 40 SER OG : rot 105:sc= 1.57 USER MOD Single : A 4 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.38) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0323 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.24) USER MOD Single : A 26 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=-0.23) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.68 USER MOD Single : A 30 THR OG1 : rot 72:sc= 0.76 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.317 X(o=0.32,f=0) USER MOD Single : A 67 MET CE :methyl -178:sc= -2.94 (180deg=-2.98) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 140:sc= -0.163 USER MOD Single : A 78 SER OG : rot -84:sc= 0.0855 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.144 USER MOD Single : A 88 HIS : no HD1:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.42) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0547 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 0.942 -0.355 -2.584 1.00 0.00 N ATOM 19 CA GLY A 2 0.475 -1.061 -3.763 1.00 0.00 C ATOM 20 C GLY A 2 -1.030 -0.987 -3.925 1.00 0.00 C ATOM 21 O GLY A 2 -1.558 -1.238 -5.009 1.00 0.00 O ATOM 0 HA2 GLY A 2 0.954 -0.641 -4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.780 -2.106 -3.702 1.00 0.00 H new ATOM 25 N VAL A 3 -1.724 -0.642 -2.845 1.00 0.00 N ATOM 26 CA VAL A 3 -3.178 -0.536 -2.873 1.00 0.00 C ATOM 27 C VAL A 3 -3.665 0.576 -1.950 1.00 0.00 C ATOM 28 O VAL A 3 -3.328 0.605 -0.766 1.00 0.00 O ATOM 29 CB VAL A 3 -3.846 -1.861 -2.459 1.00 0.00 C ATOM 30 CG1 VAL A 3 -3.335 -2.315 -1.100 1.00 0.00 C ATOM 31 CG2 VAL A 3 -5.360 -1.713 -2.447 1.00 0.00 C ATOM 0 H VAL A 3 -1.303 -0.431 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.459 -0.302 -3.900 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.585 -2.624 -3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.818 -3.252 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.256 -2.463 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.564 -1.555 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.816 -2.658 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.644 -0.936 -1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.707 -1.438 -3.443 1.00 0.00 H new ATOM 41 N GLN A 4 -4.461 1.488 -2.499 1.00 0.00 N ATOM 42 CA GLN A 4 -4.994 2.602 -1.725 1.00 0.00 C ATOM 43 C GLN A 4 -6.513 2.513 -1.619 1.00 0.00 C ATOM 44 O GLN A 4 -7.183 2.040 -2.537 1.00 0.00 O ATOM 45 CB GLN A 4 -4.592 3.933 -2.363 1.00 0.00 C ATOM 46 CG GLN A 4 -3.839 4.857 -1.419 1.00 0.00 C ATOM 47 CD GLN A 4 -2.665 4.174 -0.747 1.00 0.00 C ATOM 48 OE1 GLN A 4 -2.510 4.237 0.473 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.829 3.514 -1.541 1.00 0.00 N ATOM 0 H GLN A 4 -4.751 1.477 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.574 2.548 -0.721 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.971 3.735 -3.236 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.488 4.442 -2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.481 5.724 -1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -4.524 5.228 -0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.995 3.487 -2.547 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.021 3.034 -1.145 1.00 0.00 H new ATOM 58 N VAL A 5 -7.050 2.971 -0.492 1.00 0.00 N ATOM 59 CA VAL A 5 -8.490 2.944 -0.266 1.00 0.00 C ATOM 60 C VAL A 5 -9.028 4.342 0.018 1.00 0.00 C ATOM 61 O VAL A 5 -8.849 4.878 1.111 1.00 0.00 O ATOM 62 CB VAL A 5 -8.857 2.017 0.908 1.00 0.00 C ATOM 63 CG1 VAL A 5 -10.367 1.890 1.037 1.00 0.00 C ATOM 64 CG2 VAL A 5 -8.212 0.651 0.729 1.00 0.00 C ATOM 0 H VAL A 5 -6.509 3.365 0.278 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.946 2.560 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.474 2.457 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.607 1.231 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.801 2.874 1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.777 1.474 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.482 0.009 1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -8.563 0.202 -0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.128 0.762 0.691 1.00 0.00 H new ATOM 74 N VAL A 6 -9.690 4.928 -0.975 1.00 0.00 N ATOM 75 CA VAL A 6 -10.256 6.264 -0.833 1.00 0.00 C ATOM 76 C VAL A 6 -11.677 6.203 -0.283 1.00 0.00 C ATOM 77 O VAL A 6 -12.633 5.977 -1.025 1.00 0.00 O ATOM 78 CB VAL A 6 -10.270 7.015 -2.178 1.00 0.00 C ATOM 79 CG1 VAL A 6 -10.682 8.465 -1.976 1.00 0.00 C ATOM 80 CG2 VAL A 6 -8.908 6.927 -2.850 1.00 0.00 C ATOM 0 H VAL A 6 -9.847 4.498 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.620 6.804 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.004 6.542 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.686 8.979 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.680 8.502 -1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.975 8.954 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.935 7.463 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.153 7.374 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.658 5.881 -3.031 1.00 0.00 H new ATOM 90 N THR A 7 -11.809 6.407 1.024 1.00 0.00 N ATOM 91 CA THR A 7 -13.113 6.375 1.675 1.00 0.00 C ATOM 92 C THR A 7 -14.111 7.270 0.950 1.00 0.00 C ATOM 93 O THR A 7 -13.881 8.468 0.785 1.00 0.00 O ATOM 94 CB THR A 7 -13.017 6.819 3.147 1.00 0.00 C ATOM 95 OG1 THR A 7 -11.794 6.347 3.722 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.197 6.291 3.949 1.00 0.00 C ATOM 0 H THR A 7 -11.028 6.596 1.653 1.00 0.00 H new ATOM 0 HA THR A 7 -13.460 5.343 1.637 1.00 0.00 H new ATOM 0 HB THR A 7 -13.036 7.908 3.177 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.740 6.635 4.657 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.108 6.617 4.985 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.125 6.675 3.526 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.205 5.202 3.911 1.00 0.00 H new ATOM 104 N LEU A 8 -15.221 6.681 0.518 1.00 0.00 N ATOM 105 CA LEU A 8 -16.257 7.426 -0.189 1.00 0.00 C ATOM 106 C LEU A 8 -17.475 7.645 0.702 1.00 0.00 C ATOM 107 O LEU A 8 -18.010 8.751 0.777 1.00 0.00 O ATOM 108 CB LEU A 8 -16.668 6.683 -1.461 1.00 0.00 C ATOM 109 CG LEU A 8 -15.585 6.529 -2.529 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.773 5.230 -3.297 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.599 7.718 -3.478 1.00 0.00 C ATOM 0 H LEU A 8 -15.427 5.690 0.645 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.849 8.400 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.017 5.689 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.516 7.205 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.615 6.497 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.993 5.138 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.712 4.388 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.749 5.232 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.822 7.591 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.571 7.782 -3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.414 8.634 -2.917 1.00 0.00 H new ATOM 123 N ALA A 9 -17.907 6.585 1.377 1.00 0.00 N ATOM 124 CA ALA A 9 -19.059 6.662 2.266 1.00 0.00 C ATOM 125 C ALA A 9 -18.880 5.752 3.477 1.00 0.00 C ATOM 126 O ALA A 9 -18.940 4.528 3.359 1.00 0.00 O ATOM 127 CB ALA A 9 -20.331 6.300 1.514 1.00 0.00 C ATOM 0 H ALA A 9 -17.476 5.662 1.325 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.142 7.688 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.184 6.362 2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.474 6.994 0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.248 5.285 1.126 1.00 0.00 H new ATOM 133 N ALA A 10 -18.660 6.357 4.639 1.00 0.00 N ATOM 134 CA ALA A 10 -18.474 5.601 5.871 1.00 0.00 C ATOM 135 C ALA A 10 -19.617 4.615 6.087 1.00 0.00 C ATOM 136 O ALA A 10 -20.708 4.785 5.545 1.00 0.00 O ATOM 137 CB ALA A 10 -18.358 6.546 7.058 1.00 0.00 C ATOM 0 H ALA A 10 -18.606 7.369 4.753 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.549 5.031 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.219 5.968 7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.504 7.208 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.268 7.141 7.140 1.00 0.00 H new ATOM 143 N GLY A 11 -19.359 3.581 6.883 1.00 0.00 N ATOM 144 CA GLY A 11 -20.376 2.583 7.156 1.00 0.00 C ATOM 145 C GLY A 11 -20.509 2.280 8.636 1.00 0.00 C ATOM 146 O GLY A 11 -20.749 3.180 9.441 1.00 0.00 O ATOM 0 H GLY A 11 -18.464 3.417 7.343 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.335 2.931 6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.133 1.665 6.621 1.00 0.00 H new ATOM 150 N ASP A 12 -20.354 1.011 8.995 1.00 0.00 N ATOM 151 CA ASP A 12 -20.460 0.591 10.387 1.00 0.00 C ATOM 152 C ASP A 12 -19.156 0.855 11.134 1.00 0.00 C ATOM 153 O ASP A 12 -19.151 1.019 12.354 1.00 0.00 O ATOM 154 CB ASP A 12 -20.818 -0.893 10.470 1.00 0.00 C ATOM 155 CG ASP A 12 -22.278 -1.154 10.152 1.00 0.00 C ATOM 156 OD1 ASP A 12 -23.002 -0.183 9.851 1.00 0.00 O ATOM 157 OD2 ASP A 12 -22.695 -2.330 10.205 1.00 0.00 O ATOM 0 H ASP A 12 -20.154 0.254 8.341 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.252 1.174 10.857 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.192 -1.454 9.777 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.595 -1.262 11.471 1.00 0.00 H new ATOM 162 N GLU A 13 -18.052 0.892 10.393 1.00 0.00 N ATOM 163 CA GLU A 13 -16.743 1.133 10.987 1.00 0.00 C ATOM 164 C GLU A 13 -16.608 0.406 12.322 1.00 0.00 C ATOM 165 O GLU A 13 -16.077 0.954 13.288 1.00 0.00 O ATOM 166 CB GLU A 13 -16.516 2.633 11.185 1.00 0.00 C ATOM 167 CG GLU A 13 -17.490 3.272 12.161 1.00 0.00 C ATOM 168 CD GLU A 13 -17.001 4.609 12.682 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.804 4.710 13.024 1.00 0.00 O ATOM 170 OE2 GLU A 13 -17.814 5.554 12.749 1.00 0.00 O ATOM 0 H GLU A 13 -18.039 0.758 9.382 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.987 0.746 10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.499 2.794 11.542 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.599 3.135 10.221 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.454 3.408 11.670 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.653 2.597 13.001 1.00 0.00 H new ATOM 177 N ALA A 14 -17.094 -0.830 12.368 1.00 0.00 N ATOM 178 CA ALA A 14 -17.027 -1.633 13.583 1.00 0.00 C ATOM 179 C ALA A 14 -16.879 -3.114 13.254 1.00 0.00 C ATOM 180 O ALA A 14 -16.108 -3.830 13.895 1.00 0.00 O ATOM 181 CB ALA A 14 -18.264 -1.400 14.437 1.00 0.00 C ATOM 0 H ALA A 14 -17.539 -1.297 11.578 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.147 -1.324 14.146 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.201 -2.006 15.341 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.325 -0.346 14.709 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.154 -1.681 13.873 1.00 0.00 H new ATOM 187 N THR A 15 -17.624 -3.571 12.252 1.00 0.00 N ATOM 188 CA THR A 15 -17.577 -4.968 11.839 1.00 0.00 C ATOM 189 C THR A 15 -16.665 -5.154 10.632 1.00 0.00 C ATOM 190 O THR A 15 -16.991 -4.729 9.524 1.00 0.00 O ATOM 191 CB THR A 15 -18.981 -5.499 11.494 1.00 0.00 C ATOM 192 OG1 THR A 15 -19.955 -4.907 12.361 1.00 0.00 O ATOM 193 CG2 THR A 15 -19.033 -7.014 11.624 1.00 0.00 C ATOM 0 H THR A 15 -18.268 -2.993 11.711 1.00 0.00 H new ATOM 0 HA THR A 15 -17.180 -5.534 12.682 1.00 0.00 H new ATOM 0 HB THR A 15 -19.204 -5.231 10.461 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.845 -5.248 12.134 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.034 -7.366 11.376 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.311 -7.463 10.942 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.791 -7.300 12.648 1.00 0.00 H new ATOM 201 N TYR A 16 -15.521 -5.793 10.854 1.00 0.00 N ATOM 202 CA TYR A 16 -14.561 -6.034 9.784 1.00 0.00 C ATOM 203 C TYR A 16 -14.441 -7.525 9.485 1.00 0.00 C ATOM 204 O TYR A 16 -14.707 -8.378 10.333 1.00 0.00 O ATOM 205 CB TYR A 16 -13.191 -5.467 10.162 1.00 0.00 C ATOM 206 CG TYR A 16 -13.165 -3.958 10.253 1.00 0.00 C ATOM 207 CD1 TYR A 16 -13.745 -3.297 11.328 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.560 -3.193 9.263 1.00 0.00 C ATOM 209 CE1 TYR A 16 -13.724 -1.918 11.415 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.533 -1.815 9.342 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.116 -1.182 10.420 1.00 0.00 C ATOM 212 OH TYR A 16 -13.092 0.192 10.502 1.00 0.00 O ATOM 0 H TYR A 16 -15.237 -6.153 11.765 1.00 0.00 H new ATOM 0 HA TYR A 16 -14.921 -5.530 8.887 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.886 -5.886 11.121 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.457 -5.791 9.424 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -14.221 -3.871 12.110 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.103 -3.685 8.417 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.181 -1.420 12.257 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.058 -1.236 8.564 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.625 0.558 9.722 1.00 0.00 H new ATOM 222 N PRO A 17 -14.030 -7.849 8.250 1.00 0.00 N ATOM 223 CA PRO A 17 -13.865 -9.238 7.810 1.00 0.00 C ATOM 224 C PRO A 17 -12.684 -9.924 8.488 1.00 0.00 C ATOM 225 O PRO A 17 -11.702 -9.277 8.853 1.00 0.00 O ATOM 226 CB PRO A 17 -13.613 -9.105 6.305 1.00 0.00 C ATOM 227 CG PRO A 17 -13.045 -7.738 6.136 1.00 0.00 C ATOM 228 CD PRO A 17 -13.696 -6.885 7.189 1.00 0.00 C ATOM 0 HA PRO A 17 -14.732 -9.850 8.059 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.920 -9.868 5.951 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.536 -9.223 5.737 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.962 -7.748 6.257 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.251 -7.351 5.138 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.022 -6.108 7.550 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.585 -6.384 6.807 1.00 0.00 H new ATOM 236 N LYS A 18 -12.786 -11.238 8.654 1.00 0.00 N ATOM 237 CA LYS A 18 -11.726 -12.014 9.288 1.00 0.00 C ATOM 238 C LYS A 18 -10.861 -12.709 8.241 1.00 0.00 C ATOM 239 O LYS A 18 -11.369 -13.231 7.249 1.00 0.00 O ATOM 240 CB LYS A 18 -12.325 -13.052 10.240 1.00 0.00 C ATOM 241 CG LYS A 18 -11.494 -13.280 11.491 1.00 0.00 C ATOM 242 CD LYS A 18 -11.709 -14.674 12.056 1.00 0.00 C ATOM 243 CE LYS A 18 -10.633 -15.036 13.069 1.00 0.00 C ATOM 244 NZ LYS A 18 -10.907 -14.441 14.406 1.00 0.00 N ATOM 0 H LYS A 18 -13.592 -11.789 8.358 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.098 -11.328 9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.325 -12.731 10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.436 -13.998 9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.438 -13.139 11.258 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.756 -12.537 12.244 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.689 -14.729 12.529 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.706 -15.401 11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.570 -16.120 13.160 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.664 -14.690 12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.151 -14.711 15.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.942 -13.405 14.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.820 -14.791 14.761 1.00 0.00 H new ATOM 258 N ALA A 19 -9.552 -12.713 8.471 1.00 0.00 N ATOM 259 CA ALA A 19 -8.617 -13.346 7.549 1.00 0.00 C ATOM 260 C ALA A 19 -8.957 -14.819 7.348 1.00 0.00 C ATOM 261 O ALA A 19 -8.892 -15.615 8.284 1.00 0.00 O ATOM 262 CB ALA A 19 -7.191 -13.197 8.059 1.00 0.00 C ATOM 0 H ALA A 19 -9.115 -12.285 9.287 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.701 -12.845 6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.503 -13.674 7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.944 -12.139 8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.103 -13.671 9.037 1.00 0.00 H new ATOM 268 N GLY A 20 -9.322 -15.175 6.120 1.00 0.00 N ATOM 269 CA GLY A 20 -9.669 -16.552 5.819 1.00 0.00 C ATOM 270 C GLY A 20 -11.166 -16.785 5.814 1.00 0.00 C ATOM 271 O GLY A 20 -11.632 -17.856 5.427 1.00 0.00 O ATOM 0 H GLY A 20 -9.384 -14.535 5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.259 -16.822 4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.205 -17.209 6.554 1.00 0.00 H new ATOM 275 N GLN A 21 -11.921 -15.781 6.247 1.00 0.00 N ATOM 276 CA GLN A 21 -13.375 -15.883 6.293 1.00 0.00 C ATOM 277 C GLN A 21 -14.001 -15.334 5.015 1.00 0.00 C ATOM 278 O GLN A 21 -13.332 -14.676 4.218 1.00 0.00 O ATOM 279 CB GLN A 21 -13.922 -15.130 7.507 1.00 0.00 C ATOM 280 CG GLN A 21 -14.473 -16.042 8.591 1.00 0.00 C ATOM 281 CD GLN A 21 -14.878 -15.285 9.841 1.00 0.00 C ATOM 282 OE1 GLN A 21 -14.544 -15.683 10.957 1.00 0.00 O ATOM 283 NE2 GLN A 21 -15.601 -14.186 9.660 1.00 0.00 N ATOM 0 H GLN A 21 -11.550 -14.888 6.571 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.637 -16.938 6.380 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.128 -14.515 7.930 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.710 -14.452 7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.336 -16.582 8.202 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.721 -16.788 8.850 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -15.855 -13.893 8.717 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -15.902 -13.635 10.464 1.00 0.00 H new ATOM 292 N VAL A 22 -15.287 -15.610 4.826 1.00 0.00 N ATOM 293 CA VAL A 22 -16.003 -15.143 3.645 1.00 0.00 C ATOM 294 C VAL A 22 -16.523 -13.724 3.843 1.00 0.00 C ATOM 295 O VAL A 22 -17.013 -13.375 4.917 1.00 0.00 O ATOM 296 CB VAL A 22 -17.186 -16.069 3.304 1.00 0.00 C ATOM 297 CG1 VAL A 22 -17.824 -15.657 1.985 1.00 0.00 C ATOM 298 CG2 VAL A 22 -16.730 -17.519 3.254 1.00 0.00 C ATOM 0 H VAL A 22 -15.854 -16.155 5.475 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.292 -15.154 2.819 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.937 -15.975 4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.658 -16.322 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.188 -14.632 2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -17.084 -15.721 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.578 -18.159 3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.960 -17.632 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.324 -17.806 4.224 1.00 0.00 H new ATOM 308 N ALA A 23 -16.415 -12.909 2.799 1.00 0.00 N ATOM 309 CA ALA A 23 -16.876 -11.527 2.857 1.00 0.00 C ATOM 310 C ALA A 23 -17.650 -11.154 1.597 1.00 0.00 C ATOM 311 O ALA A 23 -17.217 -11.443 0.482 1.00 0.00 O ATOM 312 CB ALA A 23 -15.698 -10.585 3.054 1.00 0.00 C ATOM 0 H ALA A 23 -16.012 -13.182 1.903 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.550 -11.430 3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.057 -9.557 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.189 -10.829 3.986 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.003 -10.693 2.222 1.00 0.00 H new ATOM 318 N VAL A 24 -18.797 -10.509 1.782 1.00 0.00 N ATOM 319 CA VAL A 24 -19.631 -10.095 0.660 1.00 0.00 C ATOM 320 C VAL A 24 -19.579 -8.584 0.465 1.00 0.00 C ATOM 321 O VAL A 24 -19.955 -7.819 1.353 1.00 0.00 O ATOM 322 CB VAL A 24 -21.097 -10.526 0.860 1.00 0.00 C ATOM 323 CG1 VAL A 24 -21.905 -10.273 -0.403 1.00 0.00 C ATOM 324 CG2 VAL A 24 -21.170 -11.990 1.267 1.00 0.00 C ATOM 0 H VAL A 24 -19.170 -10.262 2.699 1.00 0.00 H new ATOM 0 HA VAL A 24 -19.234 -10.587 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.528 -9.928 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -22.937 -10.584 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -21.879 -9.210 -0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.479 -10.843 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.212 -12.278 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.723 -12.607 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.628 -12.135 2.201 1.00 0.00 H new ATOM 334 N VAL A 25 -19.111 -8.160 -0.705 1.00 0.00 N ATOM 335 CA VAL A 25 -19.011 -6.739 -1.019 1.00 0.00 C ATOM 336 C VAL A 25 -19.313 -6.479 -2.490 1.00 0.00 C ATOM 337 O VAL A 25 -19.346 -7.404 -3.302 1.00 0.00 O ATOM 338 CB VAL A 25 -17.612 -6.188 -0.688 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.118 -6.745 0.639 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.634 -6.512 -1.807 1.00 0.00 C ATOM 0 H VAL A 25 -18.795 -8.780 -1.451 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.750 -6.226 -0.403 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.680 -5.104 -0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.128 -6.344 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.807 -6.458 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.064 -7.832 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.650 -6.115 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.568 -7.593 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.982 -6.060 -2.736 1.00 0.00 H new ATOM 350 N HIS A 26 -19.532 -5.212 -2.828 1.00 0.00 N ATOM 351 CA HIS A 26 -19.830 -4.829 -4.204 1.00 0.00 C ATOM 352 C HIS A 26 -18.632 -4.136 -4.847 1.00 0.00 C ATOM 353 O HIS A 26 -18.145 -3.124 -4.344 1.00 0.00 O ATOM 354 CB HIS A 26 -21.050 -3.907 -4.246 1.00 0.00 C ATOM 355 CG HIS A 26 -22.318 -4.610 -4.621 1.00 0.00 C ATOM 356 ND1 HIS A 26 -22.517 -5.199 -5.851 1.00 0.00 N ATOM 357 CD2 HIS A 26 -23.457 -4.816 -3.918 1.00 0.00 C ATOM 358 CE1 HIS A 26 -23.723 -5.737 -5.890 1.00 0.00 C ATOM 359 NE2 HIS A 26 -24.314 -5.519 -4.729 1.00 0.00 N ATOM 0 H HIS A 26 -19.509 -4.434 -2.169 1.00 0.00 H new ATOM 0 HA HIS A 26 -20.049 -5.736 -4.768 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.177 -3.442 -3.269 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.864 -3.104 -4.960 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -23.655 -4.489 -2.908 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -24.153 -6.265 -6.728 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -25.254 -5.823 -4.476 1.00 0.00 H new ATOM 367 N TYR A 27 -18.163 -4.689 -5.959 1.00 0.00 N ATOM 368 CA TYR A 27 -17.020 -4.127 -6.669 1.00 0.00 C ATOM 369 C TYR A 27 -17.464 -3.429 -7.951 1.00 0.00 C ATOM 370 O TYR A 27 -18.321 -3.929 -8.680 1.00 0.00 O ATOM 371 CB TYR A 27 -16.006 -5.224 -6.997 1.00 0.00 C ATOM 372 CG TYR A 27 -16.480 -6.187 -8.063 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.323 -5.893 -9.412 1.00 0.00 C ATOM 374 CD2 TYR A 27 -17.084 -7.390 -7.721 1.00 0.00 C ATOM 375 CE1 TYR A 27 -16.755 -6.769 -10.389 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.518 -8.273 -8.691 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.352 -7.958 -10.023 1.00 0.00 C ATOM 378 OH TYR A 27 -17.782 -8.834 -10.993 1.00 0.00 O ATOM 0 H TYR A 27 -18.556 -5.526 -6.389 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.549 -3.389 -6.020 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.076 -4.761 -7.325 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.781 -5.783 -6.089 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.855 -4.964 -9.702 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.217 -7.640 -6.679 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.626 -6.525 -11.433 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -17.985 -9.205 -8.407 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.179 -9.623 -10.568 1.00 0.00 H new ATOM 388 N THR A 28 -16.874 -2.268 -8.220 1.00 0.00 N ATOM 389 CA THR A 28 -17.208 -1.500 -9.412 1.00 0.00 C ATOM 390 C THR A 28 -15.950 -1.053 -10.148 1.00 0.00 C ATOM 391 O THR A 28 -15.048 -0.464 -9.555 1.00 0.00 O ATOM 392 CB THR A 28 -18.053 -0.260 -9.063 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.303 -0.663 -8.494 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.304 0.590 -10.300 1.00 0.00 C ATOM 0 H THR A 28 -16.162 -1.840 -7.628 1.00 0.00 H new ATOM 0 HA THR A 28 -17.790 -2.157 -10.058 1.00 0.00 H new ATOM 0 HB THR A 28 -17.500 0.336 -8.338 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.833 0.131 -8.273 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.903 1.460 -10.029 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.351 0.920 -10.714 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.838 -0.000 -11.045 1.00 0.00 H new ATOM 402 N GLY A 29 -15.897 -1.337 -11.446 1.00 0.00 N ATOM 403 CA GLY A 29 -14.745 -0.956 -12.242 1.00 0.00 C ATOM 404 C GLY A 29 -14.592 0.548 -12.359 1.00 0.00 C ATOM 405 O GLY A 29 -15.582 1.277 -12.430 1.00 0.00 O ATOM 0 H GLY A 29 -16.631 -1.824 -11.960 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.844 -1.376 -11.795 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.837 -1.387 -13.239 1.00 0.00 H new ATOM 409 N THR A 30 -13.348 1.015 -12.378 1.00 0.00 N ATOM 410 CA THR A 30 -13.069 2.442 -12.484 1.00 0.00 C ATOM 411 C THR A 30 -11.590 2.694 -12.754 1.00 0.00 C ATOM 412 O THR A 30 -10.724 1.996 -12.225 1.00 0.00 O ATOM 413 CB THR A 30 -13.480 3.191 -11.203 1.00 0.00 C ATOM 414 OG1 THR A 30 -14.048 2.275 -10.260 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.484 4.291 -11.517 1.00 0.00 C ATOM 0 H THR A 30 -12.517 0.426 -12.321 1.00 0.00 H new ATOM 0 HA THR A 30 -13.658 2.818 -13.321 1.00 0.00 H new ATOM 0 HB THR A 30 -12.588 3.647 -10.774 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.341 1.705 -9.891 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.759 4.806 -10.597 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.038 5.003 -12.212 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.374 3.853 -11.968 1.00 0.00 H new ATOM 423 N LEU A 31 -11.307 3.696 -13.580 1.00 0.00 N ATOM 424 CA LEU A 31 -9.931 4.041 -13.920 1.00 0.00 C ATOM 425 C LEU A 31 -9.438 5.211 -13.074 1.00 0.00 C ATOM 426 O LEU A 31 -10.234 5.965 -12.516 1.00 0.00 O ATOM 427 CB LEU A 31 -9.825 4.391 -15.406 1.00 0.00 C ATOM 428 CG LEU A 31 -9.771 3.207 -16.372 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.711 3.695 -17.811 1.00 0.00 C ATOM 430 CD2 LEU A 31 -8.578 2.316 -16.058 1.00 0.00 C ATOM 0 H LEU A 31 -12.012 4.283 -14.026 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.303 3.175 -13.711 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.678 5.014 -15.674 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.930 4.996 -15.553 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.680 2.619 -16.247 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.673 2.839 -18.484 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.597 4.290 -18.031 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.820 4.306 -17.951 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.556 1.479 -16.755 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.658 2.893 -16.154 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.665 1.938 -15.039 1.00 0.00 H new ATOM 442 N ALA A 32 -8.120 5.356 -12.986 1.00 0.00 N ATOM 443 CA ALA A 32 -7.521 6.436 -12.212 1.00 0.00 C ATOM 444 C ALA A 32 -7.982 7.798 -12.721 1.00 0.00 C ATOM 445 O ALA A 32 -7.926 8.793 -11.997 1.00 0.00 O ATOM 446 CB ALA A 32 -6.003 6.340 -12.258 1.00 0.00 C ATOM 0 H ALA A 32 -7.447 4.739 -13.441 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.850 6.333 -11.178 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.569 7.153 -11.676 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.686 5.385 -11.840 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.665 6.414 -13.292 1.00 0.00 H new ATOM 452 N ASP A 33 -8.436 7.835 -13.968 1.00 0.00 N ATOM 453 CA ASP A 33 -8.908 9.075 -14.574 1.00 0.00 C ATOM 454 C ASP A 33 -10.369 9.332 -14.219 1.00 0.00 C ATOM 455 O ASP A 33 -10.877 10.437 -14.400 1.00 0.00 O ATOM 456 CB ASP A 33 -8.741 9.021 -16.093 1.00 0.00 C ATOM 457 CG ASP A 33 -7.304 8.771 -16.509 1.00 0.00 C ATOM 458 OD1 ASP A 33 -6.488 9.712 -16.421 1.00 0.00 O ATOM 459 OD2 ASP A 33 -6.996 7.634 -16.923 1.00 0.00 O ATOM 0 H ASP A 33 -8.487 7.021 -14.580 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.308 9.895 -14.179 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.376 8.233 -16.498 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.084 9.960 -16.527 1.00 0.00 H new ATOM 464 N GLY A 34 -11.040 8.301 -13.713 1.00 0.00 N ATOM 465 CA GLY A 34 -12.437 8.436 -13.342 1.00 0.00 C ATOM 466 C GLY A 34 -13.357 7.651 -14.255 1.00 0.00 C ATOM 467 O GLY A 34 -14.517 7.408 -13.921 1.00 0.00 O ATOM 0 H GLY A 34 -10.641 7.376 -13.554 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.572 8.095 -12.315 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.717 9.489 -13.368 1.00 0.00 H new ATOM 471 N LYS A 35 -12.841 7.253 -15.413 1.00 0.00 N ATOM 472 CA LYS A 35 -13.624 6.492 -16.379 1.00 0.00 C ATOM 473 C LYS A 35 -14.273 5.280 -15.719 1.00 0.00 C ATOM 474 O LYS A 35 -13.585 4.375 -15.246 1.00 0.00 O ATOM 475 CB LYS A 35 -12.738 6.038 -17.541 1.00 0.00 C ATOM 476 CG LYS A 35 -13.487 5.884 -18.854 1.00 0.00 C ATOM 477 CD LYS A 35 -13.566 7.200 -19.609 1.00 0.00 C ATOM 478 CE LYS A 35 -14.717 7.203 -20.604 1.00 0.00 C ATOM 479 NZ LYS A 35 -14.396 6.416 -21.826 1.00 0.00 N ATOM 0 H LYS A 35 -11.883 7.445 -15.705 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.411 7.141 -16.762 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.932 6.759 -17.675 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.275 5.086 -17.283 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.988 5.138 -19.473 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.494 5.515 -18.658 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.693 8.020 -18.902 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.628 7.376 -20.135 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.608 6.791 -20.130 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.952 8.230 -20.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.205 6.443 -22.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.561 6.825 -22.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.197 5.430 -21.562 1.00 0.00 H new ATOM 493 N VAL A 36 -15.602 5.268 -15.691 1.00 0.00 N ATOM 494 CA VAL A 36 -16.345 4.166 -15.091 1.00 0.00 C ATOM 495 C VAL A 36 -16.234 2.903 -15.937 1.00 0.00 C ATOM 496 O VAL A 36 -16.227 2.966 -17.167 1.00 0.00 O ATOM 497 CB VAL A 36 -17.832 4.522 -14.912 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.539 4.557 -16.259 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.507 3.535 -13.972 1.00 0.00 C ATOM 0 H VAL A 36 -16.186 6.009 -16.077 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.903 3.984 -14.111 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.899 5.515 -14.468 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.589 4.810 -16.112 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.070 5.307 -16.896 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.465 3.579 -16.734 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.558 3.802 -13.857 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.431 2.529 -14.385 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.016 3.565 -12.999 1.00 0.00 H new ATOM 509 N PHE A 37 -16.147 1.756 -15.271 1.00 0.00 N ATOM 510 CA PHE A 37 -16.037 0.477 -15.963 1.00 0.00 C ATOM 511 C PHE A 37 -17.109 -0.496 -15.482 1.00 0.00 C ATOM 512 O PHE A 37 -17.972 -0.139 -14.679 1.00 0.00 O ATOM 513 CB PHE A 37 -14.648 -0.127 -15.743 1.00 0.00 C ATOM 514 CG PHE A 37 -13.662 0.229 -16.818 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.321 1.551 -17.053 1.00 0.00 C ATOM 516 CD2 PHE A 37 -13.077 -0.758 -17.595 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.413 1.883 -18.041 1.00 0.00 C ATOM 518 CE2 PHE A 37 -12.168 -0.433 -18.584 1.00 0.00 C ATOM 519 CZ PHE A 37 -11.837 0.889 -18.809 1.00 0.00 C ATOM 0 H PHE A 37 -16.151 1.686 -14.253 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.185 0.654 -17.028 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.262 0.211 -14.781 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -14.737 -1.212 -15.688 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.770 2.332 -16.457 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.334 -1.793 -17.426 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.154 2.917 -18.212 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.717 -1.212 -19.180 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.129 1.145 -19.584 1.00 0.00 H new ATOM 529 N ASP A 38 -17.049 -1.726 -15.979 1.00 0.00 N ATOM 530 CA ASP A 38 -18.014 -2.752 -15.600 1.00 0.00 C ATOM 531 C ASP A 38 -18.034 -2.947 -14.087 1.00 0.00 C ATOM 532 O ASP A 38 -16.986 -3.074 -13.454 1.00 0.00 O ATOM 533 CB ASP A 38 -17.683 -4.075 -16.293 1.00 0.00 C ATOM 534 CG ASP A 38 -18.913 -4.929 -16.528 1.00 0.00 C ATOM 535 OD1 ASP A 38 -20.020 -4.360 -16.631 1.00 0.00 O ATOM 536 OD2 ASP A 38 -18.769 -6.166 -16.610 1.00 0.00 O ATOM 0 H ASP A 38 -16.342 -2.037 -16.645 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.003 -2.421 -15.919 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.199 -3.870 -17.248 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -16.969 -4.631 -15.686 1.00 0.00 H new ATOM 541 N SER A 39 -19.233 -2.970 -13.514 1.00 0.00 N ATOM 542 CA SER A 39 -19.390 -3.145 -12.075 1.00 0.00 C ATOM 543 C SER A 39 -20.284 -4.342 -11.767 1.00 0.00 C ATOM 544 O SER A 39 -21.053 -4.791 -12.617 1.00 0.00 O ATOM 545 CB SER A 39 -19.978 -1.880 -11.447 1.00 0.00 C ATOM 546 OG SER A 39 -21.385 -1.835 -11.613 1.00 0.00 O ATOM 0 H SER A 39 -20.110 -2.870 -14.025 1.00 0.00 H new ATOM 0 HA SER A 39 -18.405 -3.330 -11.647 1.00 0.00 H new ATOM 0 HB2 SER A 39 -19.733 -1.849 -10.385 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.526 -1.000 -11.904 1.00 0.00 H new ATOM 0 HG SER A 39 -21.737 -1.018 -11.202 1.00 0.00 H new ATOM 552 N SER A 40 -20.176 -4.854 -10.546 1.00 0.00 N ATOM 553 CA SER A 40 -20.971 -6.002 -10.125 1.00 0.00 C ATOM 554 C SER A 40 -22.398 -5.580 -9.787 1.00 0.00 C ATOM 555 O SER A 40 -23.346 -6.339 -9.989 1.00 0.00 O ATOM 556 CB SER A 40 -20.327 -6.680 -8.915 1.00 0.00 C ATOM 557 OG SER A 40 -20.390 -8.091 -9.027 1.00 0.00 O ATOM 0 H SER A 40 -19.546 -4.492 -9.830 1.00 0.00 H new ATOM 0 HA SER A 40 -21.007 -6.711 -10.952 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.287 -6.365 -8.829 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.833 -6.362 -8.004 1.00 0.00 H new ATOM 0 HG SER A 40 -19.506 -8.440 -9.266 1.00 0.00 H new ATOM 668 N PHE A 47 -20.474 -9.415 -4.793 1.00 0.00 N ATOM 669 CA PHE A 47 -19.485 -10.475 -4.954 1.00 0.00 C ATOM 670 C PHE A 47 -18.960 -10.941 -3.599 1.00 0.00 C ATOM 671 O PHE A 47 -18.430 -10.148 -2.821 1.00 0.00 O ATOM 672 CB PHE A 47 -18.323 -9.989 -5.824 1.00 0.00 C ATOM 673 CG PHE A 47 -17.644 -11.090 -6.587 1.00 0.00 C ATOM 674 CD1 PHE A 47 -18.272 -11.693 -7.665 1.00 0.00 C ATOM 675 CD2 PHE A 47 -16.378 -11.522 -6.226 1.00 0.00 C ATOM 676 CE1 PHE A 47 -17.650 -12.707 -8.369 1.00 0.00 C ATOM 677 CE2 PHE A 47 -15.751 -12.535 -6.927 1.00 0.00 C ATOM 678 CZ PHE A 47 -16.388 -13.129 -7.999 1.00 0.00 C ATOM 0 HA PHE A 47 -19.970 -11.319 -5.445 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -18.694 -9.245 -6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -17.589 -9.491 -5.191 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -19.259 -11.367 -7.959 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.876 -11.062 -5.388 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -18.150 -13.169 -9.207 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.763 -12.862 -6.637 1.00 0.00 H new ATOM 0 HZ PHE A 47 -15.900 -13.922 -8.547 1.00 0.00 H new ATOM 688 N ARG A 48 -19.113 -12.232 -3.325 1.00 0.00 N ATOM 689 CA ARG A 48 -18.657 -12.804 -2.064 1.00 0.00 C ATOM 690 C ARG A 48 -17.464 -13.729 -2.286 1.00 0.00 C ATOM 691 O ARG A 48 -17.420 -14.479 -3.262 1.00 0.00 O ATOM 692 CB ARG A 48 -19.794 -13.574 -1.388 1.00 0.00 C ATOM 693 CG ARG A 48 -20.382 -14.676 -2.253 1.00 0.00 C ATOM 694 CD ARG A 48 -20.787 -15.882 -1.419 1.00 0.00 C ATOM 695 NE ARG A 48 -22.188 -15.822 -1.014 1.00 0.00 N ATOM 696 CZ ARG A 48 -23.202 -16.088 -1.831 1.00 0.00 C ATOM 697 NH1 ARG A 48 -22.970 -16.432 -3.090 1.00 0.00 N ATOM 698 NH2 ARG A 48 -24.450 -16.011 -1.388 1.00 0.00 N ATOM 0 H ARG A 48 -19.549 -12.902 -3.959 1.00 0.00 H new ATOM 0 HA ARG A 48 -18.345 -11.986 -1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.424 -14.010 -0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.585 -12.874 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -21.251 -14.295 -2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.652 -14.980 -3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -20.614 -16.793 -1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -20.156 -15.938 -0.532 1.00 0.00 H new ATOM 0 HE ARG A 48 -22.401 -15.562 -0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -22.012 -16.493 -3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -23.750 -16.636 -3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -24.632 -15.747 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -25.228 -16.215 -2.016 1.00 0.00 H new ATOM 712 N PHE A 49 -16.499 -13.670 -1.375 1.00 0.00 N ATOM 713 CA PHE A 49 -15.304 -14.501 -1.472 1.00 0.00 C ATOM 714 C PHE A 49 -14.548 -14.523 -0.147 1.00 0.00 C ATOM 715 O PHE A 49 -14.786 -13.694 0.732 1.00 0.00 O ATOM 716 CB PHE A 49 -14.389 -13.988 -2.586 1.00 0.00 C ATOM 717 CG PHE A 49 -13.823 -12.623 -2.316 1.00 0.00 C ATOM 718 CD1 PHE A 49 -12.688 -12.471 -1.536 1.00 0.00 C ATOM 719 CD2 PHE A 49 -14.426 -11.492 -2.842 1.00 0.00 C ATOM 720 CE1 PHE A 49 -12.166 -11.217 -1.286 1.00 0.00 C ATOM 721 CE2 PHE A 49 -13.908 -10.235 -2.595 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.776 -10.097 -1.817 1.00 0.00 C ATOM 0 H PHE A 49 -16.521 -13.056 -0.561 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.617 -15.518 -1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.568 -14.692 -2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.948 -13.962 -3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -12.206 -13.343 -1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -15.311 -11.594 -3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.281 -11.112 -0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -14.388 -9.361 -3.010 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.368 -9.116 -1.624 1.00 0.00 H new ATOM 732 N THR A 50 -13.634 -15.479 -0.010 1.00 0.00 N ATOM 733 CA THR A 50 -12.843 -15.612 1.207 1.00 0.00 C ATOM 734 C THR A 50 -11.685 -14.621 1.221 1.00 0.00 C ATOM 735 O THR A 50 -10.734 -14.751 0.450 1.00 0.00 O ATOM 736 CB THR A 50 -12.285 -17.039 1.362 1.00 0.00 C ATOM 737 OG1 THR A 50 -13.361 -17.981 1.430 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.426 -17.151 2.612 1.00 0.00 C ATOM 0 H THR A 50 -13.423 -16.173 -0.727 1.00 0.00 H new ATOM 0 HA THR A 50 -13.510 -15.399 2.042 1.00 0.00 H new ATOM 0 HB THR A 50 -11.665 -17.259 0.493 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.998 -18.886 1.527 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.043 -18.168 2.700 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.591 -16.453 2.544 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.027 -16.912 3.489 1.00 0.00 H new ATOM 746 N VAL A 51 -11.770 -13.630 2.103 1.00 0.00 N ATOM 747 CA VAL A 51 -10.727 -12.618 2.219 1.00 0.00 C ATOM 748 C VAL A 51 -9.402 -13.239 2.646 1.00 0.00 C ATOM 749 O VAL A 51 -9.220 -13.602 3.807 1.00 0.00 O ATOM 750 CB VAL A 51 -11.117 -11.523 3.230 1.00 0.00 C ATOM 751 CG1 VAL A 51 -10.126 -10.370 3.178 1.00 0.00 C ATOM 752 CG2 VAL A 51 -12.533 -11.033 2.964 1.00 0.00 C ATOM 0 H VAL A 51 -12.551 -13.507 2.748 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.613 -12.168 1.233 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.087 -11.951 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.418 -9.606 3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.129 -10.736 3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.120 -9.940 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.792 -10.260 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.592 -10.622 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.230 -11.866 3.058 1.00 0.00 H new ATOM 762 N GLY A 52 -8.478 -13.359 1.697 1.00 0.00 N ATOM 763 CA GLY A 52 -7.181 -13.938 1.994 1.00 0.00 C ATOM 764 C GLY A 52 -6.888 -15.166 1.156 1.00 0.00 C ATOM 765 O GLY A 52 -5.738 -15.594 1.051 1.00 0.00 O ATOM 0 H GLY A 52 -8.605 -13.066 0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.406 -13.191 1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.139 -14.204 3.050 1.00 0.00 H new ATOM 769 N ARG A 53 -7.929 -15.735 0.558 1.00 0.00 N ATOM 770 CA ARG A 53 -7.778 -16.923 -0.273 1.00 0.00 C ATOM 771 C ARG A 53 -7.137 -16.572 -1.612 1.00 0.00 C ATOM 772 O ARG A 53 -6.949 -15.399 -1.934 1.00 0.00 O ATOM 773 CB ARG A 53 -9.137 -17.586 -0.505 1.00 0.00 C ATOM 774 CG ARG A 53 -9.478 -18.652 0.524 1.00 0.00 C ATOM 775 CD ARG A 53 -8.601 -19.883 0.361 1.00 0.00 C ATOM 776 NE ARG A 53 -8.634 -20.739 1.545 1.00 0.00 N ATOM 777 CZ ARG A 53 -9.670 -21.503 1.870 1.00 0.00 C ATOM 778 NH1 ARG A 53 -10.752 -21.520 1.105 1.00 0.00 N ATOM 779 NH2 ARG A 53 -9.624 -22.254 2.963 1.00 0.00 N ATOM 0 H ARG A 53 -8.887 -15.392 0.634 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.125 -17.621 0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.912 -16.820 -0.493 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.148 -18.035 -1.498 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.352 -18.245 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.526 -18.934 0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.933 -20.452 -0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.574 -19.573 0.166 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.817 -20.750 2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.791 -20.945 0.263 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.546 -22.108 1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.793 -22.244 3.554 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.420 -22.841 3.212 1.00 0.00 H new ATOM 793 N GLY A 54 -6.802 -17.597 -2.390 1.00 0.00 N ATOM 794 CA GLY A 54 -6.185 -17.376 -3.684 1.00 0.00 C ATOM 795 C GLY A 54 -7.203 -17.285 -4.804 1.00 0.00 C ATOM 796 O GLY A 54 -6.860 -17.434 -5.976 1.00 0.00 O ATOM 0 H GLY A 54 -6.947 -18.577 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.601 -16.456 -3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.489 -18.188 -3.895 1.00 0.00 H new ATOM 800 N GLU A 55 -8.459 -17.041 -4.442 1.00 0.00 N ATOM 801 CA GLU A 55 -9.529 -16.933 -5.425 1.00 0.00 C ATOM 802 C GLU A 55 -9.646 -15.504 -5.948 1.00 0.00 C ATOM 803 O GLU A 55 -10.132 -15.274 -7.055 1.00 0.00 O ATOM 804 CB GLU A 55 -10.861 -17.374 -4.813 1.00 0.00 C ATOM 805 CG GLU A 55 -10.859 -18.814 -4.326 1.00 0.00 C ATOM 806 CD GLU A 55 -12.240 -19.439 -4.350 1.00 0.00 C ATOM 807 OE1 GLU A 55 -13.219 -18.708 -4.610 1.00 0.00 O ATOM 808 OE2 GLU A 55 -12.342 -20.660 -4.107 1.00 0.00 O ATOM 0 H GLU A 55 -8.759 -16.915 -3.475 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.286 -17.589 -6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.103 -16.717 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.651 -17.251 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.186 -19.404 -4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.466 -18.850 -3.310 1.00 0.00 H new ATOM 815 N VAL A 56 -9.198 -14.547 -5.142 1.00 0.00 N ATOM 816 CA VAL A 56 -9.251 -13.140 -5.522 1.00 0.00 C ATOM 817 C VAL A 56 -7.851 -12.573 -5.727 1.00 0.00 C ATOM 818 O VAL A 56 -6.856 -13.288 -5.601 1.00 0.00 O ATOM 819 CB VAL A 56 -9.983 -12.299 -4.459 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.478 -12.576 -4.495 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.414 -12.577 -3.076 1.00 0.00 C ATOM 0 H VAL A 56 -8.794 -14.720 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.803 -13.086 -6.461 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.828 -11.244 -4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.978 -11.973 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.872 -12.322 -5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.657 -13.632 -4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.943 -11.975 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.537 -13.634 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.354 -12.322 -3.061 1.00 0.00 H new ATOM 831 N ILE A 57 -7.781 -11.285 -6.044 1.00 0.00 N ATOM 832 CA ILE A 57 -6.502 -10.621 -6.266 1.00 0.00 C ATOM 833 C ILE A 57 -6.020 -9.921 -5.000 1.00 0.00 C ATOM 834 O ILE A 57 -6.805 -9.648 -4.092 1.00 0.00 O ATOM 835 CB ILE A 57 -6.593 -9.591 -7.407 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.743 -8.614 -7.151 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.776 -10.295 -8.743 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.470 -7.214 -7.655 1.00 0.00 C ATOM 0 H ILE A 57 -8.595 -10.680 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.788 -11.396 -6.544 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.662 -9.026 -7.441 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.645 -8.994 -7.630 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.943 -8.573 -6.080 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.839 -9.553 -9.539 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.927 -10.954 -8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.694 -10.883 -8.722 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.327 -6.576 -7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.586 -6.814 -7.158 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.300 -7.242 -8.731 1.00 0.00 H new ATOM 850 N ARG A 58 -4.724 -9.632 -4.948 1.00 0.00 N ATOM 851 CA ARG A 58 -4.136 -8.962 -3.794 1.00 0.00 C ATOM 852 C ARG A 58 -4.902 -7.685 -3.458 1.00 0.00 C ATOM 853 O ARG A 58 -5.191 -7.410 -2.295 1.00 0.00 O ATOM 854 CB ARG A 58 -2.667 -8.633 -4.062 1.00 0.00 C ATOM 855 CG ARG A 58 -1.826 -9.847 -4.418 1.00 0.00 C ATOM 856 CD ARG A 58 -1.498 -10.678 -3.188 1.00 0.00 C ATOM 857 NE ARG A 58 -0.417 -11.627 -3.440 1.00 0.00 N ATOM 858 CZ ARG A 58 0.227 -12.280 -2.479 1.00 0.00 C ATOM 859 NH1 ARG A 58 -0.100 -12.088 -1.209 1.00 0.00 N ATOM 860 NH2 ARG A 58 1.200 -13.128 -2.788 1.00 0.00 N ATOM 0 H ARG A 58 -4.061 -9.851 -5.691 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.200 -9.638 -2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.608 -7.910 -4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.244 -8.155 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.361 -10.462 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.902 -9.523 -4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.216 -10.017 -2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.388 -11.219 -2.869 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.141 -11.798 -4.407 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.848 -11.438 -0.968 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.396 -12.591 -0.473 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.454 -13.279 -3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.694 -13.629 -2.049 1.00 0.00 H new ATOM 874 N GLY A 59 -5.227 -6.908 -4.487 1.00 0.00 N ATOM 875 CA GLY A 59 -5.955 -5.670 -4.281 1.00 0.00 C ATOM 876 C GLY A 59 -7.195 -5.861 -3.431 1.00 0.00 C ATOM 877 O GLY A 59 -7.311 -5.282 -2.351 1.00 0.00 O ATOM 0 H GLY A 59 -4.999 -7.114 -5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.299 -4.942 -3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.241 -5.255 -5.248 1.00 0.00 H new ATOM 881 N TRP A 60 -8.125 -6.674 -3.919 1.00 0.00 N ATOM 882 CA TRP A 60 -9.364 -6.939 -3.197 1.00 0.00 C ATOM 883 C TRP A 60 -9.076 -7.472 -1.798 1.00 0.00 C ATOM 884 O TRP A 60 -9.702 -7.055 -0.824 1.00 0.00 O ATOM 885 CB TRP A 60 -10.226 -7.938 -3.970 1.00 0.00 C ATOM 886 CG TRP A 60 -11.031 -7.306 -5.065 1.00 0.00 C ATOM 887 CD1 TRP A 60 -10.976 -6.005 -5.477 1.00 0.00 C ATOM 888 CD2 TRP A 60 -12.014 -7.947 -5.886 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.865 -5.799 -6.504 1.00 0.00 N ATOM 890 CE2 TRP A 60 -12.513 -6.975 -6.774 1.00 0.00 C ATOM 891 CE3 TRP A 60 -12.519 -9.248 -5.958 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -13.493 -7.265 -7.720 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -13.491 -9.534 -6.897 1.00 0.00 C ATOM 894 CH2 TRP A 60 -13.969 -8.547 -7.769 1.00 0.00 C ATOM 0 H TRP A 60 -8.045 -7.161 -4.812 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.908 -5.999 -3.102 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.583 -8.706 -4.399 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.901 -8.438 -3.275 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -10.329 -5.249 -5.057 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.018 -4.914 -6.987 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -12.156 -10.016 -5.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -13.864 -6.505 -8.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -13.889 -10.536 -6.960 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -14.728 -8.803 -8.494 1.00 0.00 H new ATOM 905 N ASP A 61 -8.126 -8.396 -1.707 1.00 0.00 N ATOM 906 CA ASP A 61 -7.754 -8.986 -0.426 1.00 0.00 C ATOM 907 C ASP A 61 -7.513 -7.904 0.621 1.00 0.00 C ATOM 908 O ASP A 61 -8.224 -7.826 1.622 1.00 0.00 O ATOM 909 CB ASP A 61 -6.502 -9.850 -0.583 1.00 0.00 C ATOM 910 CG ASP A 61 -5.820 -10.127 0.743 1.00 0.00 C ATOM 911 OD1 ASP A 61 -6.534 -10.314 1.749 1.00 0.00 O ATOM 912 OD2 ASP A 61 -4.571 -10.155 0.774 1.00 0.00 O ATOM 0 H ASP A 61 -7.600 -8.753 -2.505 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.579 -9.614 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.773 -10.795 -1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.801 -9.351 -1.252 1.00 0.00 H new ATOM 917 N GLU A 62 -6.505 -7.071 0.383 1.00 0.00 N ATOM 918 CA GLU A 62 -6.169 -5.994 1.307 1.00 0.00 C ATOM 919 C GLU A 62 -7.305 -4.978 1.394 1.00 0.00 C ATOM 920 O GLU A 62 -7.688 -4.551 2.483 1.00 0.00 O ATOM 921 CB GLU A 62 -4.880 -5.298 0.868 1.00 0.00 C ATOM 922 CG GLU A 62 -3.681 -6.228 0.793 1.00 0.00 C ATOM 923 CD GLU A 62 -2.361 -5.480 0.804 1.00 0.00 C ATOM 924 OE1 GLU A 62 -2.034 -4.868 1.842 1.00 0.00 O ATOM 925 OE2 GLU A 62 -1.656 -5.509 -0.226 1.00 0.00 O ATOM 0 H GLU A 62 -5.907 -7.121 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.018 -6.431 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.038 -4.843 -0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.659 -4.489 1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.709 -6.920 1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.747 -6.828 -0.115 1.00 0.00 H new ATOM 932 N GLY A 63 -7.839 -4.596 0.238 1.00 0.00 N ATOM 933 CA GLY A 63 -8.925 -3.634 0.205 1.00 0.00 C ATOM 934 C GLY A 63 -10.064 -4.013 1.129 1.00 0.00 C ATOM 935 O GLY A 63 -10.361 -3.299 2.087 1.00 0.00 O ATOM 0 H GLY A 63 -7.539 -4.935 -0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.545 -2.652 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.301 -3.550 -0.815 1.00 0.00 H new ATOM 939 N VAL A 64 -10.707 -5.141 0.842 1.00 0.00 N ATOM 940 CA VAL A 64 -11.821 -5.614 1.654 1.00 0.00 C ATOM 941 C VAL A 64 -11.378 -5.894 3.085 1.00 0.00 C ATOM 942 O VAL A 64 -12.144 -5.707 4.031 1.00 0.00 O ATOM 943 CB VAL A 64 -12.445 -6.892 1.062 1.00 0.00 C ATOM 944 CG1 VAL A 64 -11.487 -8.066 1.199 1.00 0.00 C ATOM 945 CG2 VAL A 64 -13.775 -7.197 1.734 1.00 0.00 C ATOM 0 H VAL A 64 -10.475 -5.744 0.053 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.569 -4.821 1.657 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.631 -6.727 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.944 -8.960 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.562 -7.845 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.267 -8.235 2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.201 -8.103 1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.618 -7.343 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.461 -6.364 1.578 1.00 0.00 H new ATOM 955 N ALA A 65 -10.137 -6.344 3.237 1.00 0.00 N ATOM 956 CA ALA A 65 -9.591 -6.648 4.554 1.00 0.00 C ATOM 957 C ALA A 65 -9.634 -5.423 5.462 1.00 0.00 C ATOM 958 O ALA A 65 -9.917 -5.535 6.655 1.00 0.00 O ATOM 959 CB ALA A 65 -8.164 -7.163 4.428 1.00 0.00 C ATOM 0 H ALA A 65 -9.491 -6.506 2.465 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.208 -7.425 5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.769 -7.386 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.156 -8.069 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.544 -6.403 3.953 1.00 0.00 H new ATOM 965 N GLN A 66 -9.352 -4.258 4.890 1.00 0.00 N ATOM 966 CA GLN A 66 -9.358 -3.013 5.650 1.00 0.00 C ATOM 967 C GLN A 66 -10.672 -2.263 5.456 1.00 0.00 C ATOM 968 O GLN A 66 -10.732 -1.045 5.621 1.00 0.00 O ATOM 969 CB GLN A 66 -8.184 -2.127 5.228 1.00 0.00 C ATOM 970 CG GLN A 66 -6.828 -2.793 5.397 1.00 0.00 C ATOM 971 CD GLN A 66 -5.757 -2.164 4.528 1.00 0.00 C ATOM 972 OE1 GLN A 66 -4.787 -1.597 5.032 1.00 0.00 O ATOM 973 NE2 GLN A 66 -5.927 -2.261 3.215 1.00 0.00 N ATOM 0 H GLN A 66 -9.117 -4.149 3.904 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.255 -3.261 6.706 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.312 -1.842 4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.204 -1.208 5.814 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.525 -2.732 6.442 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.914 -3.852 5.152 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.746 -2.740 2.841 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.238 -1.857 2.580 1.00 0.00 H new ATOM 982 N MET A 67 -11.721 -2.999 5.105 1.00 0.00 N ATOM 983 CA MET A 67 -13.034 -2.403 4.890 1.00 0.00 C ATOM 984 C MET A 67 -13.996 -2.787 6.011 1.00 0.00 C ATOM 985 O MET A 67 -13.792 -3.785 6.702 1.00 0.00 O ATOM 986 CB MET A 67 -13.604 -2.845 3.541 1.00 0.00 C ATOM 987 CG MET A 67 -12.999 -2.109 2.356 1.00 0.00 C ATOM 988 SD MET A 67 -13.964 -0.665 1.869 1.00 0.00 S ATOM 989 CE MET A 67 -15.414 -1.448 1.166 1.00 0.00 C ATOM 0 H MET A 67 -11.687 -4.009 4.963 1.00 0.00 H new ATOM 0 HA MET A 67 -12.917 -1.319 4.890 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.437 -3.915 3.418 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.683 -2.689 3.543 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.985 -1.796 2.607 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.922 -2.792 1.510 1.00 0.00 H new ATOM 0 HE1 MET A 67 -16.092 -0.684 0.786 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.113 -2.104 0.350 1.00 0.00 H new ATOM 0 HE3 MET A 67 -15.920 -2.033 1.934 1.00 0.00 H new ATOM 999 N SER A 68 -15.043 -1.988 6.185 1.00 0.00 N ATOM 1000 CA SER A 68 -16.034 -2.241 7.225 1.00 0.00 C ATOM 1001 C SER A 68 -17.421 -2.434 6.619 1.00 0.00 C ATOM 1002 O SER A 68 -17.756 -1.827 5.601 1.00 0.00 O ATOM 1003 CB SER A 68 -16.059 -1.086 8.228 1.00 0.00 C ATOM 1004 OG SER A 68 -16.074 0.165 7.564 1.00 0.00 O ATOM 0 H SER A 68 -15.228 -1.160 5.619 1.00 0.00 H new ATOM 0 HA SER A 68 -15.753 -3.157 7.744 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.938 -1.173 8.866 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.186 -1.146 8.878 1.00 0.00 H new ATOM 0 HG SER A 68 -15.200 0.327 7.152 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.224 -3.283 7.252 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.575 -3.556 6.777 1.00 0.00 C ATOM 1012 C VAL A 69 -20.357 -2.263 6.572 1.00 0.00 C ATOM 1013 O VAL A 69 -20.470 -1.443 7.482 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.344 -4.458 7.760 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.768 -4.685 7.276 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.618 -5.782 7.946 1.00 0.00 C ATOM 0 H VAL A 69 -17.962 -3.794 8.095 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.477 -4.073 5.822 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.391 -3.956 8.726 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.295 -5.325 7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.283 -3.727 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.748 -5.166 6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.175 -6.407 8.644 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.539 -6.291 6.986 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.620 -5.597 8.342 1.00 0.00 H new ATOM 1026 N GLY A 70 -20.897 -2.088 5.370 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.662 -0.893 5.067 1.00 0.00 C ATOM 1028 C GLY A 70 -20.781 0.275 4.672 1.00 0.00 C ATOM 1029 O GLY A 70 -21.245 1.413 4.599 1.00 0.00 O ATOM 0 H GLY A 70 -20.818 -2.753 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.360 -1.108 4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.258 -0.617 5.937 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.507 -0.006 4.418 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.559 1.032 4.031 1.00 0.00 C ATOM 1035 C GLN A 71 -18.210 0.926 2.550 1.00 0.00 C ATOM 1036 O GLN A 71 -18.021 -0.171 2.024 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.287 0.931 4.875 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.510 2.235 4.962 1.00 0.00 C ATOM 1039 CD GLN A 71 -15.015 2.035 4.804 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.310 1.747 5.771 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -14.524 2.186 3.580 1.00 0.00 N ATOM 0 H GLN A 71 -19.108 -0.943 4.473 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.028 2.000 4.207 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.553 0.608 5.882 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.641 0.160 4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.865 2.917 4.190 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.710 2.709 5.923 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.145 2.425 2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.525 2.063 3.412 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.127 2.072 1.883 1.00 0.00 N ATOM 1051 CA ARG A 72 -17.803 2.108 0.462 1.00 0.00 C ATOM 1052 C ARG A 72 -16.610 3.023 0.200 1.00 0.00 C ATOM 1053 O ARG A 72 -16.538 4.132 0.729 1.00 0.00 O ATOM 1054 CB ARG A 72 -19.011 2.582 -0.347 1.00 0.00 C ATOM 1055 CG ARG A 72 -18.725 2.745 -1.831 1.00 0.00 C ATOM 1056 CD ARG A 72 -20.007 2.753 -2.648 1.00 0.00 C ATOM 1057 NE ARG A 72 -20.721 4.021 -2.533 1.00 0.00 N ATOM 1058 CZ ARG A 72 -22.002 4.175 -2.852 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -22.705 3.145 -3.302 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -22.581 5.361 -2.720 1.00 0.00 N ATOM 0 H ARG A 72 -18.280 2.988 2.304 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.540 1.098 0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.826 1.869 -0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.355 3.535 0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -18.180 3.674 -1.998 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -18.081 1.933 -2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.771 2.564 -3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.654 1.941 -2.315 1.00 0.00 H new ATOM 0 HE ARG A 72 -20.209 4.833 -2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -22.263 2.231 -3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -23.688 3.266 -3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -22.043 6.155 -2.374 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -23.564 5.479 -2.965 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.677 2.550 -0.620 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.489 3.326 -0.954 1.00 0.00 C ATOM 1076 C ALA A 73 -13.878 2.855 -2.270 1.00 0.00 C ATOM 1077 O ALA A 73 -14.237 1.799 -2.791 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.466 3.234 0.168 1.00 0.00 C ATOM 0 H ALA A 73 -15.721 1.633 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.787 4.368 -1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.584 3.818 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.899 3.625 1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.181 2.192 0.316 1.00 0.00 H new ATOM 1084 N LYS A 74 -12.953 3.646 -2.803 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.291 3.311 -4.058 1.00 0.00 C ATOM 1086 C LYS A 74 -10.983 2.569 -3.802 1.00 0.00 C ATOM 1087 O LYS A 74 -10.106 3.063 -3.092 1.00 0.00 O ATOM 1088 CB LYS A 74 -12.020 4.579 -4.870 1.00 0.00 C ATOM 1089 CG LYS A 74 -13.125 4.919 -5.855 1.00 0.00 C ATOM 1090 CD LYS A 74 -12.591 5.696 -7.047 1.00 0.00 C ATOM 1091 CE LYS A 74 -12.654 7.196 -6.808 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.188 7.967 -7.994 1.00 0.00 N ATOM 0 H LYS A 74 -12.645 4.524 -2.385 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.953 2.658 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.885 5.416 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.084 4.458 -5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.600 4.001 -6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.894 5.506 -5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.560 5.401 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.169 5.444 -7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.678 7.483 -6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.040 7.452 -5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.246 8.985 -7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.203 7.713 -8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.789 7.742 -8.812 1.00 0.00 H new ATOM 1106 N LEU A 75 -10.857 1.382 -4.386 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.655 0.573 -4.222 1.00 0.00 C ATOM 1108 C LEU A 75 -8.718 0.742 -5.414 1.00 0.00 C ATOM 1109 O LEU A 75 -8.870 0.072 -6.436 1.00 0.00 O ATOM 1110 CB LEU A 75 -10.027 -0.901 -4.056 1.00 0.00 C ATOM 1111 CG LEU A 75 -8.915 -1.822 -3.553 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -8.536 -1.469 -2.123 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -9.344 -3.279 -3.649 1.00 0.00 C ATOM 0 H LEU A 75 -11.573 0.959 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.137 0.914 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.867 -0.967 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.376 -1.277 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.038 -1.680 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.743 -2.135 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.186 -0.438 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.407 -1.581 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.540 -3.920 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.235 -3.437 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.564 -3.526 -4.688 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.748 1.639 -5.276 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.784 1.894 -6.340 1.00 0.00 C ATOM 1127 C VAL A 76 -5.461 1.188 -6.064 1.00 0.00 C ATOM 1128 O VAL A 76 -4.670 1.633 -5.232 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.522 3.402 -6.511 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -6.186 4.041 -5.173 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.407 3.637 -7.519 1.00 0.00 C ATOM 0 H VAL A 76 -7.608 2.202 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.217 1.501 -7.260 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.430 3.870 -6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.004 5.106 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.020 3.903 -4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.293 3.572 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.235 4.708 -7.628 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.493 3.156 -7.170 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.693 3.216 -8.483 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.228 0.085 -6.767 1.00 0.00 N ATOM 1142 CA CYS A 77 -4.000 -0.684 -6.597 1.00 0.00 C ATOM 1143 C CYS A 77 -3.305 -0.901 -7.937 1.00 0.00 C ATOM 1144 O CYS A 77 -3.913 -0.743 -8.996 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.304 -2.032 -5.943 1.00 0.00 C ATOM 1146 SG CYS A 77 -5.466 -3.059 -6.873 1.00 0.00 S ATOM 0 H CYS A 77 -5.872 -0.297 -7.459 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.332 -0.117 -5.949 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.371 -2.581 -5.817 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.708 -1.857 -4.946 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.077 -4.299 -6.834 1.00 0.00 H new ATOM 1152 N SER A 78 -2.027 -1.262 -7.884 1.00 0.00 N ATOM 1153 CA SER A 78 -1.247 -1.495 -9.094 1.00 0.00 C ATOM 1154 C SER A 78 -1.743 -2.737 -9.829 1.00 0.00 C ATOM 1155 O SER A 78 -2.486 -3.555 -9.287 1.00 0.00 O ATOM 1156 CB SER A 78 0.235 -1.651 -8.749 1.00 0.00 C ATOM 1157 OG SER A 78 0.409 -1.957 -7.376 1.00 0.00 O ATOM 0 H SER A 78 -1.509 -1.400 -7.016 1.00 0.00 H new ATOM 0 HA SER A 78 -1.371 -0.632 -9.749 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.673 -2.441 -9.359 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.767 -0.731 -8.990 1.00 0.00 H new ATOM 0 HG SER A 78 0.404 -1.128 -6.853 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.323 -2.881 -11.094 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.711 -4.020 -11.932 1.00 0.00 C ATOM 1165 C PRO A 79 -1.073 -5.325 -11.468 1.00 0.00 C ATOM 1166 O PRO A 79 -1.626 -6.405 -11.675 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.190 -3.634 -13.319 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.063 -2.696 -13.053 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.436 -1.945 -11.805 1.00 0.00 C ATOM 0 HA PRO A 79 -2.785 -4.202 -11.900 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.853 -4.510 -13.873 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.968 -3.159 -13.916 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.873 -3.238 -12.917 1.00 0.00 H new ATOM 0 HG3 PRO A 79 0.083 -2.014 -13.890 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.442 -1.693 -11.210 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.943 -1.008 -12.036 1.00 0.00 H new ATOM 1177 N ASP A 80 0.093 -5.218 -10.840 1.00 0.00 N ATOM 1178 CA ASP A 80 0.805 -6.390 -10.345 1.00 0.00 C ATOM 1179 C ASP A 80 0.002 -7.094 -9.256 1.00 0.00 C ATOM 1180 O ASP A 80 0.179 -8.289 -9.014 1.00 0.00 O ATOM 1181 CB ASP A 80 2.178 -5.988 -9.804 1.00 0.00 C ATOM 1182 CG ASP A 80 3.043 -5.322 -10.856 1.00 0.00 C ATOM 1183 OD1 ASP A 80 3.369 -5.984 -11.863 1.00 0.00 O ATOM 1184 OD2 ASP A 80 3.393 -4.137 -10.673 1.00 0.00 O ATOM 0 H ASP A 80 0.565 -4.331 -10.662 1.00 0.00 H new ATOM 0 HA ASP A 80 0.939 -7.081 -11.177 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.049 -5.309 -8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.689 -6.873 -9.425 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.880 -6.347 -8.602 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.708 -6.899 -7.536 1.00 0.00 C ATOM 1191 C TYR A 81 -3.146 -7.090 -8.007 1.00 0.00 C ATOM 1192 O TYR A 81 -4.048 -7.325 -7.203 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.678 -5.982 -6.312 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.529 -6.266 -5.370 1.00 0.00 C ATOM 1195 CD1 TYR A 81 0.708 -6.673 -5.855 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.681 -6.126 -3.996 1.00 0.00 C ATOM 1197 CE1 TYR A 81 1.759 -6.934 -4.998 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.366 -6.383 -3.132 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.584 -6.788 -3.638 1.00 0.00 C ATOM 1200 OH TYR A 81 2.629 -7.046 -2.781 1.00 0.00 O ATOM 0 H TYR A 81 -1.040 -5.358 -8.791 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.302 -7.873 -7.262 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.615 -4.946 -6.646 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.617 -6.085 -5.768 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.850 -6.787 -6.920 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.634 -5.811 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.714 -7.251 -5.391 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.232 -6.268 -2.067 1.00 0.00 H new ATOM 0 HH TYR A 81 2.340 -6.894 -1.857 1.00 0.00 H new ATOM 1210 N ALA A 82 -3.352 -6.987 -9.316 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.679 -7.151 -9.896 1.00 0.00 C ATOM 1212 C ALA A 82 -4.605 -7.863 -11.242 1.00 0.00 C ATOM 1213 O ALA A 82 -3.588 -8.469 -11.580 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.359 -5.799 -10.048 1.00 0.00 C ATOM 0 H ALA A 82 -2.616 -6.791 -9.995 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.271 -7.769 -9.220 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.349 -5.937 -10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.454 -5.328 -9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.762 -5.163 -10.701 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.689 -7.787 -12.006 1.00 0.00 N ATOM 1221 CA TYR A 83 -5.748 -8.428 -13.315 1.00 0.00 C ATOM 1222 C TYR A 83 -5.044 -7.579 -14.369 1.00 0.00 C ATOM 1223 O TYR A 83 -4.996 -7.941 -15.544 1.00 0.00 O ATOM 1224 CB TYR A 83 -7.203 -8.666 -13.724 1.00 0.00 C ATOM 1225 CG TYR A 83 -8.115 -8.981 -12.561 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -8.197 -10.270 -12.047 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.896 -7.992 -11.976 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -9.030 -10.563 -10.985 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.730 -8.276 -10.913 1.00 0.00 C ATOM 1230 CZ TYR A 83 -9.794 -9.563 -10.421 1.00 0.00 C ATOM 1231 OH TYR A 83 -10.625 -9.850 -9.362 1.00 0.00 O ATOM 0 H TYR A 83 -6.539 -7.288 -11.742 1.00 0.00 H new ATOM 0 HA TYR A 83 -5.235 -9.387 -13.246 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.577 -7.780 -14.238 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.241 -9.489 -14.438 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.599 -11.055 -12.485 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.850 -6.983 -12.359 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.083 -11.570 -10.598 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.329 -7.495 -10.469 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.092 -9.035 -9.082 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.496 -6.447 -13.939 1.00 0.00 N ATOM 1242 CA GLY A 84 -3.800 -5.563 -14.856 1.00 0.00 C ATOM 1243 C GLY A 84 -2.783 -6.296 -15.707 1.00 0.00 C ATOM 1244 O GLY A 84 -2.503 -5.895 -16.837 1.00 0.00 O ATOM 0 H GLY A 84 -4.522 -6.126 -12.971 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.526 -5.072 -15.504 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.298 -4.779 -14.289 1.00 0.00 H new ATOM 1248 N SER A 85 -2.225 -7.374 -15.164 1.00 0.00 N ATOM 1249 CA SER A 85 -1.228 -8.162 -15.880 1.00 0.00 C ATOM 1250 C SER A 85 -1.725 -8.529 -17.275 1.00 0.00 C ATOM 1251 O SER A 85 -1.240 -8.003 -18.277 1.00 0.00 O ATOM 1252 CB SER A 85 -0.892 -9.431 -15.095 1.00 0.00 C ATOM 1253 OG SER A 85 -2.065 -10.045 -14.590 1.00 0.00 O ATOM 0 H SER A 85 -2.446 -7.721 -14.231 1.00 0.00 H new ATOM 0 HA SER A 85 -0.327 -7.557 -15.982 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.360 -10.131 -15.740 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.223 -9.186 -14.270 1.00 0.00 H new ATOM 0 HG SER A 85 -1.823 -10.855 -14.094 1.00 0.00 H new ATOM 1259 N ARG A 86 -2.695 -9.436 -17.331 1.00 0.00 N ATOM 1260 CA ARG A 86 -3.258 -9.875 -18.602 1.00 0.00 C ATOM 1261 C ARG A 86 -3.805 -8.691 -19.393 1.00 0.00 C ATOM 1262 O ARG A 86 -3.374 -8.428 -20.515 1.00 0.00 O ATOM 1263 CB ARG A 86 -4.368 -10.901 -18.366 1.00 0.00 C ATOM 1264 CG ARG A 86 -5.287 -11.090 -19.562 1.00 0.00 C ATOM 1265 CD ARG A 86 -4.501 -11.428 -20.819 1.00 0.00 C ATOM 1266 NE ARG A 86 -3.749 -12.672 -20.678 1.00 0.00 N ATOM 1267 CZ ARG A 86 -2.943 -13.154 -21.617 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -2.784 -12.500 -22.759 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -2.292 -14.292 -21.414 1.00 0.00 N ATOM 0 H ARG A 86 -3.107 -9.881 -16.511 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.461 -10.340 -19.182 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.917 -11.860 -18.110 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.963 -10.589 -17.507 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.000 -11.887 -19.352 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.865 -10.180 -19.726 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.186 -11.512 -21.663 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.814 -10.613 -21.047 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.848 -13.200 -19.811 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.281 -11.624 -22.919 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.164 -12.873 -23.478 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.410 -14.798 -20.536 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.673 -14.661 -22.136 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.758 -7.979 -18.800 1.00 0.00 N ATOM 1284 CA GLY A 87 -5.349 -6.831 -19.464 1.00 0.00 C ATOM 1285 C GLY A 87 -6.156 -7.221 -20.686 1.00 0.00 C ATOM 1286 O GLY A 87 -5.788 -8.144 -21.413 1.00 0.00 O ATOM 0 H GLY A 87 -5.132 -8.176 -17.872 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.992 -6.300 -18.762 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.560 -6.139 -19.759 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.260 -6.517 -20.914 1.00 0.00 N ATOM 1291 CA HIS A 88 -8.122 -6.795 -22.057 1.00 0.00 C ATOM 1292 C HIS A 88 -8.567 -5.500 -22.730 1.00 0.00 C ATOM 1293 O HIS A 88 -8.578 -4.428 -22.123 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.345 -7.600 -21.616 1.00 0.00 C ATOM 1295 CG HIS A 88 -9.177 -9.080 -21.777 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -8.509 -9.866 -20.862 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -9.597 -9.917 -22.755 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -8.524 -11.122 -21.270 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -9.178 -11.180 -22.416 1.00 0.00 N ATOM 0 H HIS A 88 -7.579 -5.750 -20.322 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.551 -7.381 -22.777 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.558 -7.378 -20.570 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.211 -7.276 -22.193 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.157 -9.643 -23.637 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.077 -11.959 -20.754 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.345 -12.026 -22.961 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.943 -5.598 -24.013 1.00 0.00 N ATOM 1308 CA PRO A 89 -9.395 -4.444 -24.796 1.00 0.00 C ATOM 1309 C PRO A 89 -10.754 -3.928 -24.336 1.00 0.00 C ATOM 1310 O PRO A 89 -11.760 -4.629 -24.432 1.00 0.00 O ATOM 1311 CB PRO A 89 -9.487 -4.996 -26.221 1.00 0.00 C ATOM 1312 CG PRO A 89 -9.703 -6.460 -26.047 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.955 -6.843 -24.800 1.00 0.00 C ATOM 0 HA PRO A 89 -8.720 -3.594 -24.696 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.309 -4.537 -26.771 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.575 -4.794 -26.783 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.764 -6.689 -25.952 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -9.333 -7.014 -26.910 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.453 -7.652 -24.265 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.945 -7.185 -25.026 1.00 0.00 H new ATOM 1321 N GLY A 90 -10.776 -2.696 -23.837 1.00 0.00 N ATOM 1322 CA GLY A 90 -12.017 -2.107 -23.370 1.00 0.00 C ATOM 1323 C GLY A 90 -12.443 -2.646 -22.019 1.00 0.00 C ATOM 1324 O GLY A 90 -13.559 -2.394 -21.564 1.00 0.00 O ATOM 0 H GLY A 90 -9.956 -2.095 -23.748 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.900 -1.025 -23.306 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.804 -2.300 -24.099 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.552 -3.394 -21.375 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.841 -3.972 -20.068 1.00 0.00 C ATOM 1330 C VAL A 91 -10.761 -3.610 -19.055 1.00 0.00 C ATOM 1331 O VAL A 91 -11.051 -3.059 -17.993 1.00 0.00 O ATOM 1332 CB VAL A 91 -11.962 -5.505 -20.146 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.421 -6.074 -18.812 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -12.914 -5.908 -21.263 1.00 0.00 C ATOM 0 H VAL A 91 -10.624 -3.614 -21.737 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.794 -3.556 -19.743 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.979 -5.918 -20.370 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.501 -7.158 -18.887 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.698 -5.816 -18.038 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.394 -5.656 -18.553 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.988 -6.995 -21.304 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.900 -5.484 -21.071 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.537 -5.534 -22.215 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.514 -3.923 -19.392 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.389 -3.629 -18.512 1.00 0.00 C ATOM 1346 C ILE A 92 -7.146 -3.261 -19.315 1.00 0.00 C ATOM 1347 O ILE A 92 -6.791 -3.918 -20.294 1.00 0.00 O ATOM 1348 CB ILE A 92 -8.062 -4.824 -17.598 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.282 -5.196 -16.752 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -6.872 -4.499 -16.707 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -9.038 -6.363 -15.821 1.00 0.00 C ATOM 0 H ILE A 92 -9.257 -4.380 -20.267 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.684 -2.781 -17.894 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.801 -5.679 -18.222 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.584 -4.329 -16.164 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.113 -5.438 -17.414 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.653 -5.353 -16.067 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.003 -4.278 -17.327 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.106 -3.633 -16.088 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.945 -6.571 -15.253 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.765 -7.243 -16.404 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.228 -6.117 -15.134 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.464 -2.186 -18.891 1.00 0.00 N ATOM 1364 CA PRO A 93 -5.248 -1.708 -19.554 1.00 0.00 C ATOM 1365 C PRO A 93 -4.069 -2.655 -19.356 1.00 0.00 C ATOM 1366 O PRO A 93 -4.040 -3.462 -18.427 1.00 0.00 O ATOM 1367 CB PRO A 93 -4.976 -0.365 -18.871 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.620 -0.484 -17.533 1.00 0.00 C ATOM 1369 CD PRO A 93 -6.829 -1.355 -17.731 1.00 0.00 C ATOM 0 HA PRO A 93 -5.375 -1.634 -20.634 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.906 -0.176 -18.780 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.398 0.462 -19.442 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.936 -0.925 -16.808 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.904 0.496 -17.148 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.035 -1.963 -16.850 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.723 -0.763 -17.926 1.00 0.00 H new ATOM 1377 N PRO A 94 -3.073 -2.555 -20.249 1.00 0.00 N ATOM 1378 CA PRO A 94 -1.873 -3.395 -20.192 1.00 0.00 C ATOM 1379 C PRO A 94 -0.977 -3.048 -19.008 1.00 0.00 C ATOM 1380 O PRO A 94 -0.244 -2.060 -19.040 1.00 0.00 O ATOM 1381 CB PRO A 94 -1.160 -3.084 -21.511 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.626 -1.718 -21.881 1.00 0.00 C ATOM 1383 CD PRO A 94 -3.041 -1.615 -21.382 1.00 0.00 C ATOM 0 HA PRO A 94 -2.119 -4.449 -20.062 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.077 -3.114 -21.392 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.417 -3.812 -22.281 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.995 -0.954 -21.427 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.581 -1.569 -22.960 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.284 -0.600 -21.069 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.760 -1.891 -22.153 1.00 0.00 H new ATOM 1391 N ASN A 95 -1.042 -3.866 -17.963 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.237 -3.645 -16.767 1.00 0.00 C ATOM 1393 C ASN A 95 -0.322 -2.190 -16.316 1.00 0.00 C ATOM 1394 O ASN A 95 0.692 -1.498 -16.225 1.00 0.00 O ATOM 1395 CB ASN A 95 1.221 -4.025 -17.032 1.00 0.00 C ATOM 1396 CG ASN A 95 1.350 -5.334 -17.785 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.541 -6.392 -17.185 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.247 -5.269 -19.107 1.00 0.00 N ATOM 0 H ASN A 95 -1.644 -4.688 -17.920 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.631 -4.277 -15.971 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.702 -3.231 -17.604 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.752 -4.101 -16.083 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.326 -6.118 -19.667 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.089 -4.370 -19.563 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.538 -1.734 -16.034 1.00 0.00 N ATOM 1406 CA ALA A 96 -1.755 -0.362 -15.590 1.00 0.00 C ATOM 1407 C ALA A 96 -2.576 -0.325 -14.306 1.00 0.00 C ATOM 1408 O ALA A 96 -3.389 -1.214 -14.050 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.442 0.444 -16.682 1.00 0.00 C ATOM 0 H ALA A 96 -2.388 -2.294 -16.105 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.783 0.085 -15.382 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.598 1.466 -16.337 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.817 0.454 -17.575 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.405 -0.010 -16.918 1.00 0.00 H new ATOM 1415 N THR A 97 -2.359 0.709 -13.499 1.00 0.00 N ATOM 1416 CA THR A 97 -3.077 0.861 -12.240 1.00 0.00 C ATOM 1417 C THR A 97 -4.585 0.816 -12.459 1.00 0.00 C ATOM 1418 O THR A 97 -5.094 1.329 -13.457 1.00 0.00 O ATOM 1419 CB THR A 97 -2.711 2.183 -11.540 1.00 0.00 C ATOM 1420 OG1 THR A 97 -1.372 2.562 -11.878 1.00 0.00 O ATOM 1421 CG2 THR A 97 -2.840 2.050 -10.030 1.00 0.00 C ATOM 0 H THR A 97 -1.691 1.454 -13.696 1.00 0.00 H new ATOM 0 HA THR A 97 -2.779 0.027 -11.604 1.00 0.00 H new ATOM 0 HB THR A 97 -3.403 2.953 -11.881 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.148 3.404 -11.430 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.576 2.996 -9.558 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.867 1.790 -9.774 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.169 1.268 -9.675 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.296 0.200 -11.521 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.748 0.089 -11.611 1.00 0.00 C ATOM 1431 C LEU A 98 -7.410 0.529 -10.309 1.00 0.00 C ATOM 1432 O LEU A 98 -6.844 0.369 -9.227 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.149 -1.350 -11.940 1.00 0.00 C ATOM 1434 CG LEU A 98 -6.274 -2.074 -12.963 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -6.563 -3.567 -12.951 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -6.492 -1.498 -14.355 1.00 0.00 C ATOM 0 H LEU A 98 -4.891 -0.230 -10.690 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.089 0.747 -12.410 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.145 -1.927 -11.015 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.175 -1.345 -12.308 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.230 -1.924 -12.689 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.931 -4.066 -13.686 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.355 -3.970 -11.960 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.611 -3.737 -13.199 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.861 -2.026 -15.070 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.538 -1.616 -14.638 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.233 -0.439 -14.355 1.00 0.00 H new ATOM 1448 N THR A 99 -8.613 1.083 -10.421 1.00 0.00 N ATOM 1449 CA THR A 99 -9.353 1.545 -9.253 1.00 0.00 C ATOM 1450 C THR A 99 -10.748 0.931 -9.208 1.00 0.00 C ATOM 1451 O THR A 99 -11.650 1.363 -9.925 1.00 0.00 O ATOM 1452 CB THR A 99 -9.479 3.080 -9.239 1.00 0.00 C ATOM 1453 OG1 THR A 99 -8.250 3.676 -9.668 1.00 0.00 O ATOM 1454 CG2 THR A 99 -9.833 3.581 -7.847 1.00 0.00 C ATOM 0 H THR A 99 -9.096 1.223 -11.309 1.00 0.00 H new ATOM 0 HA THR A 99 -8.790 1.226 -8.376 1.00 0.00 H new ATOM 0 HB THR A 99 -10.278 3.363 -9.924 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.339 4.652 -9.658 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.917 4.668 -7.862 1.00 0.00 H new ATOM 0 HG22 THR A 99 -10.784 3.148 -7.535 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.053 3.287 -7.145 1.00 0.00 H new ATOM 1462 N PHE A 100 -10.918 -0.078 -8.360 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.204 -0.751 -8.221 1.00 0.00 C ATOM 1464 C PHE A 100 -12.898 -0.337 -6.927 1.00 0.00 C ATOM 1465 O PHE A 100 -12.387 -0.575 -5.832 1.00 0.00 O ATOM 1466 CB PHE A 100 -12.014 -2.269 -8.248 1.00 0.00 C ATOM 1467 CG PHE A 100 -11.448 -2.780 -9.542 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -10.077 -2.857 -9.732 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -12.286 -3.182 -10.569 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -9.553 -3.326 -10.921 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -11.768 -3.652 -11.761 1.00 0.00 C ATOM 1472 CZ PHE A 100 -10.400 -3.724 -11.938 1.00 0.00 C ATOM 0 H PHE A 100 -10.181 -0.447 -7.759 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.833 -0.455 -9.060 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.352 -2.559 -7.432 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -12.975 -2.751 -8.066 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.411 -2.547 -8.941 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -13.356 -3.128 -10.437 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.483 -3.382 -11.056 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -12.432 -3.963 -12.554 1.00 0.00 H new ATOM 0 HZ PHE A 100 -9.993 -4.090 -12.869 1.00 0.00 H new ATOM 1482 N ASP A 101 -14.065 0.283 -7.061 1.00 0.00 N ATOM 1483 CA ASP A 101 -14.830 0.731 -5.903 1.00 0.00 C ATOM 1484 C ASP A 101 -15.444 -0.455 -5.166 1.00 0.00 C ATOM 1485 O ASP A 101 -16.310 -1.150 -5.699 1.00 0.00 O ATOM 1486 CB ASP A 101 -15.929 1.702 -6.336 1.00 0.00 C ATOM 1487 CG ASP A 101 -17.114 1.695 -5.390 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -17.008 2.300 -4.302 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -18.147 1.084 -5.736 1.00 0.00 O ATOM 0 H ASP A 101 -14.502 0.487 -7.960 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.149 1.245 -5.225 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -15.518 2.710 -6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -16.267 1.440 -7.339 1.00 0.00 H new ATOM 1494 N VAL A 102 -14.989 -0.683 -3.938 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.493 -1.785 -3.127 1.00 0.00 C ATOM 1496 C VAL A 102 -16.444 -1.283 -2.047 1.00 0.00 C ATOM 1497 O VAL A 102 -16.190 -0.261 -1.410 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.343 -2.564 -2.462 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -14.872 -3.814 -1.774 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.279 -2.921 -3.489 1.00 0.00 C ATOM 0 H VAL A 102 -14.272 -0.119 -3.483 1.00 0.00 H new ATOM 0 HA VAL A 102 -16.032 -2.452 -3.800 1.00 0.00 H new ATOM 0 HB VAL A 102 -13.886 -1.927 -1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -14.045 -4.351 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.595 -3.530 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.355 -4.457 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.474 -3.471 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.721 -3.540 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.879 -2.008 -3.931 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.539 -2.009 -1.845 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.528 -1.636 -0.841 1.00 0.00 C ATOM 1512 C GLU A 103 -18.948 -2.848 -0.014 1.00 0.00 C ATOM 1513 O GLU A 103 -19.613 -3.755 -0.515 1.00 0.00 O ATOM 1514 CB GLU A 103 -19.755 -1.010 -1.508 1.00 0.00 C ATOM 1515 CG GLU A 103 -20.906 -0.757 -0.550 1.00 0.00 C ATOM 1516 CD GLU A 103 -22.084 -0.075 -1.220 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -22.619 -0.639 -2.197 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -22.470 1.022 -0.765 1.00 0.00 O ATOM 0 H GLU A 103 -17.763 -2.858 -2.363 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.072 -0.903 -0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.465 -0.067 -1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.097 -1.666 -2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -21.234 -1.705 -0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.556 -0.140 0.277 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.554 -2.856 1.255 1.00 0.00 N ATOM 1526 CA LEU A 104 -18.888 -3.956 2.153 1.00 0.00 C ATOM 1527 C LEU A 104 -20.395 -4.038 2.376 1.00 0.00 C ATOM 1528 O LEU A 104 -21.046 -3.034 2.669 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.172 -3.782 3.493 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.755 -5.071 4.203 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -18.897 -6.074 4.202 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.518 -5.666 3.545 1.00 0.00 C ATOM 0 H LEU A 104 -18.003 -2.113 1.685 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.556 -4.885 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.281 -3.176 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.824 -3.218 4.160 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.511 -4.831 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.582 -6.985 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.756 -5.648 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.173 -6.310 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.236 -6.582 4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.734 -5.891 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.697 -4.951 3.599 1.00 0.00 H new ATOM 1544 N LEU A 105 -20.943 -5.240 2.237 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.374 -5.455 2.426 1.00 0.00 C ATOM 1546 C LEU A 105 -22.637 -6.325 3.650 1.00 0.00 C ATOM 1547 O LEU A 105 -23.629 -6.139 4.355 1.00 0.00 O ATOM 1548 CB LEU A 105 -22.980 -6.108 1.182 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.577 -5.154 0.147 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -24.696 -4.329 0.763 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -22.498 -4.247 -0.427 1.00 0.00 C ATOM 0 H LEU A 105 -20.419 -6.081 1.994 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.844 -4.485 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.207 -6.703 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.760 -6.799 1.502 1.00 0.00 H new ATOM 0 HG LEU A 105 -23.996 -5.747 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -25.108 -3.656 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -25.481 -4.993 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.302 -3.745 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -22.941 -3.575 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -22.049 -3.662 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -21.730 -4.854 -0.907 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.741 -7.275 3.898 1.00 0.00 N ATOM 1564 CA ARG A 106 -21.876 -8.174 5.038 1.00 0.00 C ATOM 1565 C ARG A 106 -20.660 -9.087 5.158 1.00 0.00 C ATOM 1566 O ARG A 106 -19.902 -9.257 4.203 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.147 -9.015 4.904 1.00 0.00 C ATOM 1568 CG ARG A 106 -23.250 -9.756 3.581 1.00 0.00 C ATOM 1569 CD ARG A 106 -24.611 -10.416 3.417 1.00 0.00 C ATOM 1570 NE ARG A 106 -24.622 -11.782 3.933 1.00 0.00 N ATOM 1571 CZ ARG A 106 -25.717 -12.530 4.010 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -26.884 -12.046 3.605 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -25.647 -13.764 4.492 1.00 0.00 N ATOM 0 H ARG A 106 -20.914 -7.442 3.325 1.00 0.00 H new ATOM 0 HA ARG A 106 -21.943 -7.567 5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -23.182 -9.738 5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -24.016 -8.366 5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -23.080 -9.061 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -22.468 -10.513 3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -25.365 -9.826 3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -24.885 -10.425 2.362 1.00 0.00 H new ATOM 0 HE ARG A 106 -23.740 -12.184 4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -26.942 -11.098 3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -27.724 -12.622 3.665 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -24.751 -14.140 4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -26.489 -14.337 4.551 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.479 -9.673 6.337 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.355 -10.569 6.582 1.00 0.00 C ATOM 1589 C VAL A 107 -19.837 -11.943 7.035 1.00 0.00 C ATOM 1590 O VAL A 107 -20.842 -12.058 7.735 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.401 -9.995 7.646 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -19.145 -9.734 8.946 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -17.228 -10.937 7.873 1.00 0.00 C ATOM 0 H VAL A 107 -21.097 -9.543 7.138 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.817 -10.668 5.639 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.010 -9.045 7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -18.454 -9.329 9.685 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -19.948 -9.018 8.768 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.567 -10.668 9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.564 -10.516 8.628 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.598 -11.904 8.214 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -16.680 -11.067 6.940 1.00 0.00 H new ATOM 1603 N GLU A 108 -19.111 -12.981 6.632 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.465 -14.347 6.997 1.00 0.00 C ATOM 1605 C GLU A 108 -18.217 -15.168 7.309 1.00 0.00 C ATOM 1606 O GLU A 108 -17.519 -15.622 6.403 1.00 0.00 O ATOM 1607 CB GLU A 108 -20.257 -15.011 5.869 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.626 -14.393 5.640 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.693 -14.990 6.538 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -22.644 -16.214 6.783 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -23.575 -14.234 6.995 1.00 0.00 O ATOM 0 H GLU A 108 -18.275 -12.902 6.053 1.00 0.00 H new ATOM 0 HA GLU A 108 -20.086 -14.307 7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -19.681 -14.948 4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -20.379 -16.070 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -21.569 -13.319 5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -21.914 -14.532 4.598 1.00 0.00 H new