USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 704 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 Single : A 1 GLY N :NH3+ -134:sc= 0.0568 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.179 USER MOD Single : A 6 SER OG : rot 32:sc= 0.787 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= -1.39 (180deg=-1.83!) USER MOD Single : A 21 CYS SG : rot 180:sc= 0.018 USER MOD Single : A 27 GLN : amide:sc= -0.937 K(o=-0.94,f=-5.3!) USER MOD Single : A 32 GLN : amide:sc= -0.661 K(o=-0.66,f=-1.5!) USER MOD Single : A 33 CYS SG : rot -24:sc= -0.937! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0812 K(o=-0.081,f=-0.62) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 39:sc= 0.103 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.1 F(o=-0.68,f=-0.1) USER MOD Single : A 69 GLN :FLIP amide:sc= -4.93! C(o=-7.4!,f=-4.9!) USER MOD Single : A 76 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.28) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0812 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.167 USER MOD Single : A 85 ASN : amide:sc= -7.06! C(o=-7.1!,f=-26!) USER MOD Single : A 89 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.0068) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 180:sc= -0.025 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= -0.938 K(o=-0.94,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.499 11.886 -9.465 1.00 0.00 N ATOM 2 CA GLY A 1 29.107 12.230 -9.239 1.00 0.00 C ATOM 3 C GLY A 1 28.681 12.003 -7.802 1.00 0.00 C ATOM 4 O GLY A 1 29.520 11.889 -6.909 1.00 0.00 O ATOM 0 H1 GLY A 1 30.959 12.641 -10.013 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.983 11.778 -8.551 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.554 10.992 -9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.947 13.276 -9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.477 11.635 -9.900 1.00 0.00 H new ATOM 8 N SER A 2 27.372 11.939 -7.578 1.00 0.00 N ATOM 9 CA SER A 2 26.835 11.730 -6.238 1.00 0.00 C ATOM 10 C SER A 2 26.725 10.241 -5.923 1.00 0.00 C ATOM 11 O SER A 2 26.037 9.497 -6.622 1.00 0.00 O ATOM 12 CB SER A 2 25.463 12.394 -6.106 1.00 0.00 C ATOM 13 OG SER A 2 25.164 12.681 -4.751 1.00 0.00 O ATOM 0 H SER A 2 26.664 12.029 -8.307 1.00 0.00 H new ATOM 0 HA SER A 2 27.521 12.185 -5.523 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.443 13.315 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.697 11.738 -6.520 1.00 0.00 H new ATOM 0 HG SER A 2 24.283 13.106 -4.693 1.00 0.00 H new ATOM 19 N SER A 3 27.407 9.814 -4.865 1.00 0.00 N ATOM 20 CA SER A 3 27.390 8.414 -4.459 1.00 0.00 C ATOM 21 C SER A 3 27.586 8.284 -2.951 1.00 0.00 C ATOM 22 O SER A 3 28.570 8.771 -2.397 1.00 0.00 O ATOM 23 CB SER A 3 28.480 7.633 -5.195 1.00 0.00 C ATOM 24 OG SER A 3 28.135 6.264 -5.315 1.00 0.00 O ATOM 0 H SER A 3 27.978 10.418 -4.274 1.00 0.00 H new ATOM 0 HA SER A 3 26.417 7.998 -4.720 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.632 8.061 -6.186 1.00 0.00 H new ATOM 0 HB3 SER A 3 29.424 7.727 -4.659 1.00 0.00 H new ATOM 0 HG SER A 3 28.847 5.788 -5.791 1.00 0.00 H new ATOM 30 N GLY A 4 26.639 7.622 -2.293 1.00 0.00 N ATOM 31 CA GLY A 4 26.724 7.439 -0.856 1.00 0.00 C ATOM 32 C GLY A 4 27.194 6.048 -0.475 1.00 0.00 C ATOM 33 O GLY A 4 27.234 5.149 -1.314 1.00 0.00 O ATOM 0 H GLY A 4 25.815 7.209 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.409 8.177 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.746 7.623 -0.411 1.00 0.00 H new ATOM 37 N SER A 5 27.552 5.873 0.793 1.00 0.00 N ATOM 38 CA SER A 5 28.027 4.583 1.281 1.00 0.00 C ATOM 39 C SER A 5 27.119 4.054 2.387 1.00 0.00 C ATOM 40 O SER A 5 26.660 2.913 2.335 1.00 0.00 O ATOM 41 CB SER A 5 29.461 4.707 1.799 1.00 0.00 C ATOM 42 OG SER A 5 29.530 5.593 2.902 1.00 0.00 O ATOM 0 H SER A 5 27.522 6.607 1.500 1.00 0.00 H new ATOM 0 HA SER A 5 28.008 3.878 0.450 1.00 0.00 H new ATOM 0 HB2 SER A 5 29.831 3.725 2.094 1.00 0.00 H new ATOM 0 HB3 SER A 5 30.110 5.065 1.000 1.00 0.00 H new ATOM 0 HG SER A 5 30.457 5.654 3.216 1.00 0.00 H new ATOM 48 N SER A 6 26.864 4.891 3.387 1.00 0.00 N ATOM 49 CA SER A 6 26.014 4.507 4.508 1.00 0.00 C ATOM 50 C SER A 6 24.554 4.417 4.077 1.00 0.00 C ATOM 51 O SER A 6 23.899 5.432 3.845 1.00 0.00 O ATOM 52 CB SER A 6 26.158 5.513 5.652 1.00 0.00 C ATOM 53 OG SER A 6 25.758 6.810 5.245 1.00 0.00 O ATOM 0 H SER A 6 27.234 5.840 3.444 1.00 0.00 H new ATOM 0 HA SER A 6 26.334 3.524 4.854 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.554 5.192 6.500 1.00 0.00 H new ATOM 0 HB3 SER A 6 27.194 5.538 5.990 1.00 0.00 H new ATOM 0 HG SER A 6 25.047 6.738 4.574 1.00 0.00 H new ATOM 59 N GLY A 7 24.049 3.191 3.971 1.00 0.00 N ATOM 60 CA GLY A 7 22.670 2.988 3.567 1.00 0.00 C ATOM 61 C GLY A 7 22.388 1.554 3.166 1.00 0.00 C ATOM 62 O GLY A 7 23.306 0.801 2.844 1.00 0.00 O ATOM 0 H GLY A 7 24.571 2.335 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.009 3.269 4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.439 3.648 2.731 1.00 0.00 H new ATOM 66 N MET A 8 21.115 1.175 3.188 1.00 0.00 N ATOM 67 CA MET A 8 20.715 -0.180 2.824 1.00 0.00 C ATOM 68 C MET A 8 19.243 -0.223 2.424 1.00 0.00 C ATOM 69 O MET A 8 18.419 0.504 2.977 1.00 0.00 O ATOM 70 CB MET A 8 20.967 -1.139 3.988 1.00 0.00 C ATOM 71 CG MET A 8 20.374 -2.523 3.775 1.00 0.00 C ATOM 72 SD MET A 8 21.404 -3.565 2.724 1.00 0.00 S ATOM 73 CE MET A 8 20.372 -5.023 2.580 1.00 0.00 C ATOM 0 H MET A 8 20.343 1.786 3.454 1.00 0.00 H new ATOM 0 HA MET A 8 21.315 -0.492 1.969 1.00 0.00 H new ATOM 0 HB2 MET A 8 22.042 -1.233 4.144 1.00 0.00 H new ATOM 0 HB3 MET A 8 20.549 -0.710 4.899 1.00 0.00 H new ATOM 0 HG2 MET A 8 20.239 -3.009 4.741 1.00 0.00 H new ATOM 0 HG3 MET A 8 19.385 -2.425 3.326 1.00 0.00 H new ATOM 0 HE1 MET A 8 20.873 -5.764 1.957 1.00 0.00 H new ATOM 0 HE2 MET A 8 20.195 -5.442 3.570 1.00 0.00 H new ATOM 0 HE3 MET A 8 19.419 -4.751 2.125 1.00 0.00 H new ATOM 83 N GLU A 9 18.922 -1.080 1.459 1.00 0.00 N ATOM 84 CA GLU A 9 17.549 -1.216 0.986 1.00 0.00 C ATOM 85 C GLU A 9 16.661 -1.833 2.062 1.00 0.00 C ATOM 86 O GLU A 9 17.135 -2.206 3.135 1.00 0.00 O ATOM 87 CB GLU A 9 17.506 -2.074 -0.281 1.00 0.00 C ATOM 88 CG GLU A 9 18.151 -1.412 -1.487 1.00 0.00 C ATOM 89 CD GLU A 9 19.643 -1.670 -1.565 1.00 0.00 C ATOM 90 OE1 GLU A 9 20.034 -2.721 -2.115 1.00 0.00 O ATOM 91 OE2 GLU A 9 20.419 -0.823 -1.077 1.00 0.00 O ATOM 0 H GLU A 9 19.593 -1.689 0.990 1.00 0.00 H new ATOM 0 HA GLU A 9 17.171 -0.220 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.008 -3.021 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.468 -2.307 -0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.675 -1.779 -2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.973 -0.337 -1.445 1.00 0.00 H new ATOM 98 N VAL A 10 15.369 -1.937 1.767 1.00 0.00 N ATOM 99 CA VAL A 10 14.413 -2.508 2.708 1.00 0.00 C ATOM 100 C VAL A 10 13.382 -3.371 1.988 1.00 0.00 C ATOM 101 O VAL A 10 13.030 -3.106 0.839 1.00 0.00 O ATOM 102 CB VAL A 10 13.683 -1.410 3.503 1.00 0.00 C ATOM 103 CG1 VAL A 10 12.383 -1.946 4.084 1.00 0.00 C ATOM 104 CG2 VAL A 10 14.581 -0.861 4.602 1.00 0.00 C ATOM 0 H VAL A 10 14.960 -1.633 0.883 1.00 0.00 H new ATOM 0 HA VAL A 10 14.982 -3.129 3.400 1.00 0.00 H new ATOM 0 HB VAL A 10 13.440 -0.594 2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.881 -1.156 4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.736 -2.286 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.599 -2.781 4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.049 -0.086 5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.857 -1.666 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.482 -0.437 4.158 1.00 0.00 H new ATOM 114 N ALA A 11 12.901 -4.403 2.673 1.00 0.00 N ATOM 115 CA ALA A 11 11.908 -5.303 2.100 1.00 0.00 C ATOM 116 C ALA A 11 10.495 -4.776 2.325 1.00 0.00 C ATOM 117 O ALA A 11 10.251 -3.932 3.187 1.00 0.00 O ATOM 118 CB ALA A 11 12.054 -6.697 2.694 1.00 0.00 C ATOM 0 H ALA A 11 13.183 -4.636 3.625 1.00 0.00 H new ATOM 0 HA ALA A 11 12.081 -5.358 1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.306 -7.359 2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.050 -7.082 2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.910 -6.649 3.773 1.00 0.00 H new ATOM 124 N PRO A 12 9.540 -5.283 1.531 1.00 0.00 N ATOM 125 CA PRO A 12 8.134 -4.877 1.625 1.00 0.00 C ATOM 126 C PRO A 12 7.471 -5.374 2.905 1.00 0.00 C ATOM 127 O PRO A 12 7.600 -6.543 3.269 1.00 0.00 O ATOM 128 CB PRO A 12 7.493 -5.535 0.400 1.00 0.00 C ATOM 129 CG PRO A 12 8.364 -6.705 0.099 1.00 0.00 C ATOM 130 CD PRO A 12 9.758 -6.293 0.482 1.00 0.00 C ATOM 0 HA PRO A 12 8.023 -3.793 1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.469 -5.847 0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.451 -4.845 -0.443 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.048 -7.582 0.663 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.311 -6.969 -0.957 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.339 -7.138 0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.302 -5.879 -0.367 1.00 0.00 H new ATOM 138 N SER A 13 6.761 -4.479 3.584 1.00 0.00 N ATOM 139 CA SER A 13 6.081 -4.826 4.826 1.00 0.00 C ATOM 140 C SER A 13 4.900 -3.893 5.078 1.00 0.00 C ATOM 141 O SER A 13 5.015 -2.675 4.935 1.00 0.00 O ATOM 142 CB SER A 13 7.056 -4.761 6.003 1.00 0.00 C ATOM 143 OG SER A 13 7.781 -3.543 5.997 1.00 0.00 O ATOM 0 H SER A 13 6.642 -3.508 3.295 1.00 0.00 H new ATOM 0 HA SER A 13 5.704 -5.844 4.732 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.507 -4.857 6.940 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.749 -5.601 5.952 1.00 0.00 H new ATOM 0 HG SER A 13 8.396 -3.525 6.760 1.00 0.00 H new ATOM 149 N PHE A 14 3.765 -4.473 5.453 1.00 0.00 N ATOM 150 CA PHE A 14 2.562 -3.695 5.724 1.00 0.00 C ATOM 151 C PHE A 14 2.513 -3.260 7.186 1.00 0.00 C ATOM 152 O PHE A 14 2.127 -4.034 8.063 1.00 0.00 O ATOM 153 CB PHE A 14 1.314 -4.510 5.381 1.00 0.00 C ATOM 154 CG PHE A 14 1.094 -4.678 3.905 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.663 -3.613 3.130 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.321 -5.900 3.292 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.459 -3.765 1.771 1.00 0.00 C ATOM 158 CE2 PHE A 14 1.119 -6.058 1.933 1.00 0.00 C ATOM 159 CZ PHE A 14 0.689 -4.989 1.172 1.00 0.00 C ATOM 0 H PHE A 14 3.653 -5.479 5.576 1.00 0.00 H new ATOM 0 HA PHE A 14 2.588 -2.803 5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.395 -5.494 5.842 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.441 -4.024 5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.484 -2.654 3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.660 -6.739 3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.120 -2.928 1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.297 -7.016 1.468 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.533 -5.109 0.110 1.00 0.00 H new ATOM 169 N SER A 15 2.908 -2.017 7.441 1.00 0.00 N ATOM 170 CA SER A 15 2.914 -1.479 8.797 1.00 0.00 C ATOM 171 C SER A 15 1.541 -1.628 9.446 1.00 0.00 C ATOM 172 O SER A 15 1.431 -1.777 10.663 1.00 0.00 O ATOM 173 CB SER A 15 3.327 -0.006 8.782 1.00 0.00 C ATOM 174 OG SER A 15 3.264 0.554 10.083 1.00 0.00 O ATOM 0 H SER A 15 3.228 -1.363 6.727 1.00 0.00 H new ATOM 0 HA SER A 15 3.637 -2.045 9.384 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.340 0.087 8.391 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.674 0.551 8.111 1.00 0.00 H new ATOM 0 HG SER A 15 3.534 1.495 10.047 1.00 0.00 H new ATOM 180 N SER A 16 0.497 -1.587 8.624 1.00 0.00 N ATOM 181 CA SER A 16 -0.869 -1.713 9.118 1.00 0.00 C ATOM 182 C SER A 16 -1.792 -2.250 8.029 1.00 0.00 C ATOM 183 O SER A 16 -2.128 -1.543 7.078 1.00 0.00 O ATOM 184 CB SER A 16 -1.381 -0.359 9.614 1.00 0.00 C ATOM 185 OG SER A 16 -2.351 -0.524 10.634 1.00 0.00 O ATOM 0 H SER A 16 0.571 -1.468 7.614 1.00 0.00 H new ATOM 0 HA SER A 16 -0.866 -2.419 9.949 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.547 0.232 9.993 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.814 0.197 8.782 1.00 0.00 H new ATOM 0 HG SER A 16 -2.661 0.355 10.936 1.00 0.00 H new ATOM 191 N VAL A 17 -2.200 -3.507 8.174 1.00 0.00 N ATOM 192 CA VAL A 17 -3.085 -4.141 7.204 1.00 0.00 C ATOM 193 C VAL A 17 -4.505 -3.597 7.319 1.00 0.00 C ATOM 194 O VAL A 17 -4.901 -3.079 8.364 1.00 0.00 O ATOM 195 CB VAL A 17 -3.116 -5.670 7.389 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.733 -6.263 7.169 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.647 -6.029 8.768 1.00 0.00 C ATOM 0 H VAL A 17 -1.932 -4.106 8.954 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.689 -3.910 6.215 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.789 -6.095 6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.775 -7.344 7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.397 -6.036 6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.035 -5.834 7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.662 -7.113 8.881 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.002 -5.593 9.531 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.658 -5.638 8.882 1.00 0.00 H new ATOM 207 N LEU A 18 -5.267 -3.718 6.238 1.00 0.00 N ATOM 208 CA LEU A 18 -6.645 -3.239 6.216 1.00 0.00 C ATOM 209 C LEU A 18 -7.460 -3.873 7.339 1.00 0.00 C ATOM 210 O LEU A 18 -7.066 -4.891 7.909 1.00 0.00 O ATOM 211 CB LEU A 18 -7.292 -3.548 4.865 1.00 0.00 C ATOM 212 CG LEU A 18 -6.586 -2.973 3.636 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.877 -3.822 2.408 1.00 0.00 C ATOM 214 CD2 LEU A 18 -7.012 -1.531 3.402 1.00 0.00 C ATOM 0 H LEU A 18 -4.954 -4.144 5.365 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.630 -2.160 6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.351 -4.631 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.315 -3.173 4.880 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.511 -2.989 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.367 -3.398 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.522 -4.839 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.951 -3.839 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.500 -1.138 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.089 -1.491 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.752 -0.929 4.273 1.00 0.00 H new ATOM 226 N LYS A 19 -8.599 -3.265 7.652 1.00 0.00 N ATOM 227 CA LYS A 19 -9.472 -3.770 8.705 1.00 0.00 C ATOM 228 C LYS A 19 -10.927 -3.782 8.245 1.00 0.00 C ATOM 229 O LYS A 19 -11.339 -2.952 7.435 1.00 0.00 O ATOM 230 CB LYS A 19 -9.332 -2.915 9.966 1.00 0.00 C ATOM 231 CG LYS A 19 -8.033 -3.149 10.718 1.00 0.00 C ATOM 232 CD LYS A 19 -8.060 -4.463 11.482 1.00 0.00 C ATOM 233 CE LYS A 19 -6.658 -4.915 11.861 1.00 0.00 C ATOM 234 NZ LYS A 19 -6.021 -5.714 10.778 1.00 0.00 N ATOM 0 H LYS A 19 -8.939 -2.421 7.191 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.172 -4.793 8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.398 -1.862 9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.170 -3.124 10.631 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.200 -3.153 10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.860 -2.327 11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.663 -4.349 12.383 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.539 -5.230 10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.042 -4.043 12.079 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.702 -5.510 12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.987 -5.674 10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.338 -6.702 10.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.293 -5.324 9.853 1.00 0.00 H new ATOM 248 N ASP A 20 -11.700 -4.727 8.770 1.00 0.00 N ATOM 249 CA ASP A 20 -13.110 -4.845 8.415 1.00 0.00 C ATOM 250 C ASP A 20 -13.802 -3.487 8.478 1.00 0.00 C ATOM 251 O ASP A 20 -13.598 -2.719 9.419 1.00 0.00 O ATOM 252 CB ASP A 20 -13.811 -5.832 9.349 1.00 0.00 C ATOM 253 CG ASP A 20 -13.277 -7.244 9.206 1.00 0.00 C ATOM 254 OD1 ASP A 20 -12.902 -7.625 8.078 1.00 0.00 O ATOM 255 OD2 ASP A 20 -13.234 -7.968 10.223 1.00 0.00 O ATOM 0 H ASP A 20 -11.374 -5.422 9.442 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.172 -5.217 7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.687 -5.502 10.381 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.881 -5.828 9.140 1.00 0.00 H new ATOM 260 N CYS A 21 -14.618 -3.198 7.470 1.00 0.00 N ATOM 261 CA CYS A 21 -15.338 -1.931 7.410 1.00 0.00 C ATOM 262 C CYS A 21 -16.742 -2.130 6.848 1.00 0.00 C ATOM 263 O CYS A 21 -17.058 -3.186 6.301 1.00 0.00 O ATOM 264 CB CYS A 21 -14.571 -0.924 6.552 1.00 0.00 C ATOM 265 SG CYS A 21 -14.865 0.803 6.999 1.00 0.00 S ATOM 0 H CYS A 21 -14.797 -3.823 6.684 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.423 -1.542 8.425 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.504 -1.132 6.633 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.846 -1.069 5.507 1.00 0.00 H new ATOM 0 HG CYS A 21 -14.171 1.577 6.219 1.00 0.00 H new ATOM 271 N ALA A 22 -17.581 -1.109 6.989 1.00 0.00 N ATOM 272 CA ALA A 22 -18.951 -1.172 6.495 1.00 0.00 C ATOM 273 C ALA A 22 -19.386 0.168 5.912 1.00 0.00 C ATOM 274 O ALA A 22 -19.277 1.206 6.565 1.00 0.00 O ATOM 275 CB ALA A 22 -19.895 -1.596 7.611 1.00 0.00 C ATOM 0 H ALA A 22 -17.336 -0.228 7.441 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.991 -1.915 5.698 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.915 -1.639 7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.604 -2.580 7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.843 -0.873 8.425 1.00 0.00 H new ATOM 281 N VAL A 23 -19.879 0.138 4.678 1.00 0.00 N ATOM 282 CA VAL A 23 -20.332 1.351 4.006 1.00 0.00 C ATOM 283 C VAL A 23 -21.763 1.200 3.504 1.00 0.00 C ATOM 284 O VAL A 23 -22.197 0.101 3.156 1.00 0.00 O ATOM 285 CB VAL A 23 -19.418 1.708 2.818 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.740 0.835 1.615 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.553 3.182 2.468 1.00 0.00 C ATOM 0 H VAL A 23 -19.975 -0.713 4.123 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.291 2.154 4.741 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.384 1.519 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.084 1.102 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.589 -0.213 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -20.778 0.989 1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -18.901 3.417 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.586 3.399 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.269 3.788 3.328 1.00 0.00 H new ATOM 297 N ILE A 24 -22.493 2.310 3.470 1.00 0.00 N ATOM 298 CA ILE A 24 -23.875 2.301 3.009 1.00 0.00 C ATOM 299 C ILE A 24 -23.953 2.504 1.500 1.00 0.00 C ATOM 300 O ILE A 24 -23.280 3.372 0.946 1.00 0.00 O ATOM 301 CB ILE A 24 -24.708 3.393 3.706 1.00 0.00 C ATOM 302 CG1 ILE A 24 -24.627 3.234 5.226 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.155 3.336 3.239 1.00 0.00 C ATOM 304 CD1 ILE A 24 -25.576 2.192 5.776 1.00 0.00 C ATOM 0 H ILE A 24 -22.150 3.227 3.756 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.286 1.324 3.263 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.299 4.367 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -23.607 2.966 5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -24.842 4.194 5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.730 4.114 3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -26.196 3.493 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.577 2.360 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -25.464 2.133 6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -26.602 2.469 5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -25.347 1.222 5.334 1.00 0.00 H new ATOM 316 N GLU A 25 -24.781 1.698 0.842 1.00 0.00 N ATOM 317 CA GLU A 25 -24.947 1.790 -0.604 1.00 0.00 C ATOM 318 C GLU A 25 -24.978 3.247 -1.056 1.00 0.00 C ATOM 319 O GLU A 25 -25.632 4.086 -0.438 1.00 0.00 O ATOM 320 CB GLU A 25 -26.232 1.082 -1.038 1.00 0.00 C ATOM 321 CG GLU A 25 -26.492 1.155 -2.533 1.00 0.00 C ATOM 322 CD GLU A 25 -27.311 2.369 -2.924 1.00 0.00 C ATOM 323 OE1 GLU A 25 -28.556 2.274 -2.916 1.00 0.00 O ATOM 324 OE2 GLU A 25 -26.707 3.416 -3.238 1.00 0.00 O ATOM 0 H GLU A 25 -25.347 0.975 1.287 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.094 1.300 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.179 0.036 -0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.077 1.523 -0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -25.540 1.178 -3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -27.013 0.252 -2.852 1.00 0.00 H new ATOM 331 N GLY A 26 -24.265 3.540 -2.139 1.00 0.00 N ATOM 332 CA GLY A 26 -24.224 4.896 -2.656 1.00 0.00 C ATOM 333 C GLY A 26 -23.092 5.709 -2.060 1.00 0.00 C ATOM 334 O GLY A 26 -22.551 6.602 -2.712 1.00 0.00 O ATOM 0 H GLY A 26 -23.715 2.863 -2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -24.114 4.865 -3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.172 5.391 -2.446 1.00 0.00 H new ATOM 338 N GLN A 27 -22.734 5.401 -0.817 1.00 0.00 N ATOM 339 CA GLN A 27 -21.661 6.112 -0.133 1.00 0.00 C ATOM 340 C GLN A 27 -20.312 5.811 -0.777 1.00 0.00 C ATOM 341 O GLN A 27 -20.210 4.957 -1.658 1.00 0.00 O ATOM 342 CB GLN A 27 -21.629 5.729 1.347 1.00 0.00 C ATOM 343 CG GLN A 27 -22.851 6.194 2.122 1.00 0.00 C ATOM 344 CD GLN A 27 -22.863 7.693 2.348 1.00 0.00 C ATOM 345 OE1 GLN A 27 -22.301 8.456 1.562 1.00 0.00 O ATOM 346 NE2 GLN A 27 -23.506 8.124 3.427 1.00 0.00 N ATOM 0 H GLN A 27 -23.171 4.664 -0.264 1.00 0.00 H new ATOM 0 HA GLN A 27 -21.855 7.181 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.546 4.645 1.432 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.736 6.154 1.804 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.752 5.905 1.580 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.881 5.685 3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -23.958 7.457 4.052 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.548 9.123 3.631 1.00 0.00 H new ATOM 355 N ASP A 28 -19.279 6.518 -0.333 1.00 0.00 N ATOM 356 CA ASP A 28 -17.935 6.326 -0.865 1.00 0.00 C ATOM 357 C ASP A 28 -16.953 5.979 0.249 1.00 0.00 C ATOM 358 O ASP A 28 -16.858 6.689 1.251 1.00 0.00 O ATOM 359 CB ASP A 28 -17.469 7.585 -1.598 1.00 0.00 C ATOM 360 CG ASP A 28 -17.346 8.781 -0.675 1.00 0.00 C ATOM 361 OD1 ASP A 28 -18.386 9.247 -0.165 1.00 0.00 O ATOM 362 OD2 ASP A 28 -16.209 9.250 -0.460 1.00 0.00 O ATOM 0 H ASP A 28 -19.347 7.230 0.394 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.966 5.495 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.505 7.392 -2.068 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.172 7.818 -2.397 1.00 0.00 H new ATOM 367 N PHE A 29 -16.225 4.882 0.070 1.00 0.00 N ATOM 368 CA PHE A 29 -15.252 4.439 1.061 1.00 0.00 C ATOM 369 C PHE A 29 -13.850 4.385 0.461 1.00 0.00 C ATOM 370 O PHE A 29 -13.671 3.997 -0.694 1.00 0.00 O ATOM 371 CB PHE A 29 -15.638 3.063 1.607 1.00 0.00 C ATOM 372 CG PHE A 29 -15.413 1.945 0.629 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.141 1.438 0.416 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.474 1.401 -0.077 1.00 0.00 C ATOM 375 CE1 PHE A 29 -13.932 0.411 -0.484 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.270 0.372 -0.978 1.00 0.00 C ATOM 377 CZ PHE A 29 -14.998 -0.124 -1.181 1.00 0.00 C ATOM 0 H PHE A 29 -16.291 4.283 -0.753 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.251 5.160 1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.062 2.865 2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.689 3.077 1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.304 1.850 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.471 1.785 0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.935 0.026 -0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.105 -0.043 -1.522 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.836 -0.929 -1.883 1.00 0.00 H new ATOM 387 N VAL A 30 -12.858 4.778 1.253 1.00 0.00 N ATOM 388 CA VAL A 30 -11.471 4.775 0.802 1.00 0.00 C ATOM 389 C VAL A 30 -10.602 3.903 1.701 1.00 0.00 C ATOM 390 O VAL A 30 -10.203 4.320 2.790 1.00 0.00 O ATOM 391 CB VAL A 30 -10.888 6.200 0.768 1.00 0.00 C ATOM 392 CG1 VAL A 30 -9.424 6.169 0.357 1.00 0.00 C ATOM 393 CG2 VAL A 30 -11.696 7.083 -0.172 1.00 0.00 C ATOM 0 H VAL A 30 -12.989 5.103 2.211 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.468 4.366 -0.208 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.949 6.623 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.030 7.185 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.858 5.573 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.334 5.727 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.271 8.086 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.668 6.665 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.729 7.131 0.172 1.00 0.00 H new ATOM 403 N LEU A 31 -10.312 2.691 1.241 1.00 0.00 N ATOM 404 CA LEU A 31 -9.489 1.760 2.004 1.00 0.00 C ATOM 405 C LEU A 31 -8.090 2.324 2.225 1.00 0.00 C ATOM 406 O LEU A 31 -7.253 2.306 1.323 1.00 0.00 O ATOM 407 CB LEU A 31 -9.400 0.416 1.279 1.00 0.00 C ATOM 408 CG LEU A 31 -10.666 -0.442 1.297 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.545 -1.594 0.311 1.00 0.00 C ATOM 410 CD2 LEU A 31 -10.937 -0.964 2.700 1.00 0.00 C ATOM 0 H LEU A 31 -10.635 2.330 0.343 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.958 1.612 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.127 0.604 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.588 -0.160 1.723 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.508 0.181 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.455 -2.193 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.401 -1.199 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.692 -2.217 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.841 -1.572 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.094 -1.570 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.070 -0.124 3.382 1.00 0.00 H new ATOM 422 N GLN A 32 -7.843 2.824 3.432 1.00 0.00 N ATOM 423 CA GLN A 32 -6.544 3.392 3.772 1.00 0.00 C ATOM 424 C GLN A 32 -5.729 2.421 4.620 1.00 0.00 C ATOM 425 O GLN A 32 -6.211 1.912 5.633 1.00 0.00 O ATOM 426 CB GLN A 32 -6.722 4.715 4.519 1.00 0.00 C ATOM 427 CG GLN A 32 -5.426 5.485 4.711 1.00 0.00 C ATOM 428 CD GLN A 32 -5.556 6.604 5.726 1.00 0.00 C ATOM 429 OE1 GLN A 32 -6.502 6.636 6.513 1.00 0.00 O ATOM 430 NE2 GLN A 32 -4.604 7.530 5.712 1.00 0.00 N ATOM 0 H GLN A 32 -8.525 2.847 4.190 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.003 3.577 2.844 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.428 5.339 3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.164 4.515 5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.644 4.797 5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.111 5.902 3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.838 7.464 5.042 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.639 8.307 6.371 1.00 0.00 H new ATOM 439 N CYS A 33 -4.495 2.168 4.199 1.00 0.00 N ATOM 440 CA CYS A 33 -3.614 1.256 4.920 1.00 0.00 C ATOM 441 C CYS A 33 -2.219 1.854 5.071 1.00 0.00 C ATOM 442 O CYS A 33 -1.978 2.999 4.687 1.00 0.00 O ATOM 443 CB CYS A 33 -3.530 -0.086 4.193 1.00 0.00 C ATOM 444 SG CYS A 33 -2.938 0.032 2.489 1.00 0.00 S ATOM 0 H CYS A 33 -4.082 2.581 3.363 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.031 1.097 5.914 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.868 -0.748 4.751 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.517 -0.549 4.192 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.176 1.224 2.029 1.00 0.00 H new ATOM 450 N SER A 34 -1.303 1.073 5.634 1.00 0.00 N ATOM 451 CA SER A 34 0.067 1.527 5.841 1.00 0.00 C ATOM 452 C SER A 34 1.064 0.517 5.283 1.00 0.00 C ATOM 453 O SER A 34 1.062 -0.653 5.667 1.00 0.00 O ATOM 454 CB SER A 34 0.332 1.752 7.331 1.00 0.00 C ATOM 455 OG SER A 34 -0.675 2.562 7.912 1.00 0.00 O ATOM 0 H SER A 34 -1.485 0.122 5.955 1.00 0.00 H new ATOM 0 HA SER A 34 0.195 2.470 5.309 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.372 0.792 7.845 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.305 2.225 7.463 1.00 0.00 H new ATOM 0 HG SER A 34 -0.483 2.689 8.865 1.00 0.00 H new ATOM 461 N VAL A 35 1.916 0.977 4.372 1.00 0.00 N ATOM 462 CA VAL A 35 2.921 0.116 3.760 1.00 0.00 C ATOM 463 C VAL A 35 4.188 0.896 3.432 1.00 0.00 C ATOM 464 O VAL A 35 4.127 2.000 2.890 1.00 0.00 O ATOM 465 CB VAL A 35 2.388 -0.541 2.473 1.00 0.00 C ATOM 466 CG1 VAL A 35 2.109 0.513 1.412 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.372 -1.580 1.958 1.00 0.00 C ATOM 0 H VAL A 35 1.930 1.942 4.041 1.00 0.00 H new ATOM 0 HA VAL A 35 3.156 -0.662 4.487 1.00 0.00 H new ATOM 0 HB VAL A 35 1.450 -1.046 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.733 0.030 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.364 1.216 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.030 1.049 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.979 -2.034 1.048 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.327 -1.101 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.516 -2.351 2.715 1.00 0.00 H new ATOM 477 N ARG A 36 5.337 0.316 3.764 1.00 0.00 N ATOM 478 CA ARG A 36 6.620 0.958 3.505 1.00 0.00 C ATOM 479 C ARG A 36 7.627 -0.045 2.948 1.00 0.00 C ATOM 480 O ARG A 36 7.489 -1.252 3.142 1.00 0.00 O ATOM 481 CB ARG A 36 7.167 1.587 4.788 1.00 0.00 C ATOM 482 CG ARG A 36 6.222 2.592 5.424 1.00 0.00 C ATOM 483 CD ARG A 36 6.818 3.196 6.686 1.00 0.00 C ATOM 484 NE ARG A 36 6.878 2.230 7.780 1.00 0.00 N ATOM 485 CZ ARG A 36 7.882 1.378 7.954 1.00 0.00 C ATOM 486 NH1 ARG A 36 8.905 1.373 7.111 1.00 0.00 N ATOM 487 NH2 ARG A 36 7.864 0.529 8.973 1.00 0.00 N ATOM 0 H ARG A 36 5.405 -0.597 4.213 1.00 0.00 H new ATOM 0 HA ARG A 36 6.464 1.740 2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.381 0.797 5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.113 2.081 4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.998 3.385 4.710 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.278 2.104 5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.821 3.565 6.472 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.222 4.055 6.993 1.00 0.00 H new ATOM 0 HE ARG A 36 6.107 2.209 8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.922 2.025 6.326 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.675 0.718 7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.079 0.530 9.624 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.636 -0.125 9.106 1.00 0.00 H new ATOM 501 N GLY A 37 8.640 0.465 2.254 1.00 0.00 N ATOM 502 CA GLY A 37 9.654 -0.399 1.679 1.00 0.00 C ATOM 503 C GLY A 37 10.545 0.330 0.692 1.00 0.00 C ATOM 504 O GLY A 37 10.119 1.291 0.051 1.00 0.00 O ATOM 0 H GLY A 37 8.776 1.461 2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.267 -0.816 2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.171 -1.237 1.177 1.00 0.00 H new ATOM 508 N THR A 38 11.788 -0.126 0.570 1.00 0.00 N ATOM 509 CA THR A 38 12.742 0.490 -0.343 1.00 0.00 C ATOM 510 C THR A 38 13.401 -0.555 -1.237 1.00 0.00 C ATOM 511 O THR A 38 14.014 -1.513 -0.765 1.00 0.00 O ATOM 512 CB THR A 38 13.836 1.259 0.422 1.00 0.00 C ATOM 513 OG1 THR A 38 13.301 2.478 0.948 1.00 0.00 O ATOM 514 CG2 THR A 38 15.016 1.567 -0.487 1.00 0.00 C ATOM 0 H THR A 38 12.157 -0.920 1.093 1.00 0.00 H new ATOM 0 HA THR A 38 12.181 1.191 -0.961 1.00 0.00 H new ATOM 0 HB THR A 38 14.184 0.632 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.002 2.960 1.434 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.776 2.110 0.075 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.439 0.635 -0.862 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.680 2.177 -1.326 1.00 0.00 H new ATOM 522 N PRO A 39 13.275 -0.368 -2.559 1.00 0.00 N ATOM 523 CA PRO A 39 12.548 0.769 -3.132 1.00 0.00 C ATOM 524 C PRO A 39 11.044 0.669 -2.904 1.00 0.00 C ATOM 525 O PRO A 39 10.563 -0.268 -2.266 1.00 0.00 O ATOM 526 CB PRO A 39 12.869 0.679 -4.626 1.00 0.00 C ATOM 527 CG PRO A 39 13.183 -0.759 -4.860 1.00 0.00 C ATOM 528 CD PRO A 39 13.833 -1.252 -3.596 1.00 0.00 C ATOM 0 HA PRO A 39 12.843 1.713 -2.675 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.024 1.003 -5.233 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.713 1.316 -4.889 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.278 -1.325 -5.080 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.850 -0.879 -5.714 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.595 -2.298 -3.403 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.919 -1.176 -3.647 1.00 0.00 H new ATOM 536 N VAL A 40 10.304 1.640 -3.430 1.00 0.00 N ATOM 537 CA VAL A 40 8.854 1.661 -3.285 1.00 0.00 C ATOM 538 C VAL A 40 8.217 0.451 -3.959 1.00 0.00 C ATOM 539 O VAL A 40 8.367 0.228 -5.160 1.00 0.00 O ATOM 540 CB VAL A 40 8.248 2.945 -3.881 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.732 2.926 -3.763 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.829 4.174 -3.199 1.00 0.00 C ATOM 0 H VAL A 40 10.686 2.423 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 40 8.643 1.631 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 40 8.505 2.989 -4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.322 3.842 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.336 2.066 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.450 2.857 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.390 5.072 -3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.605 4.139 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.909 4.193 -3.342 1.00 0.00 H new ATOM 552 N PRO A 41 7.486 -0.350 -3.169 1.00 0.00 N ATOM 553 CA PRO A 41 6.810 -1.552 -3.668 1.00 0.00 C ATOM 554 C PRO A 41 5.636 -1.218 -4.582 1.00 0.00 C ATOM 555 O PRO A 41 5.057 -0.135 -4.494 1.00 0.00 O ATOM 556 CB PRO A 41 6.317 -2.237 -2.392 1.00 0.00 C ATOM 557 CG PRO A 41 6.182 -1.136 -1.398 1.00 0.00 C ATOM 558 CD PRO A 41 7.264 -0.145 -1.728 1.00 0.00 C ATOM 0 HA PRO A 41 7.473 -2.172 -4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.365 -2.741 -2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.023 -2.994 -2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.197 -0.673 -1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.294 -1.512 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.953 0.877 -1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.170 -0.332 -1.151 1.00 0.00 H new ATOM 566 N ARG A 42 5.289 -2.155 -5.458 1.00 0.00 N ATOM 567 CA ARG A 42 4.184 -1.960 -6.388 1.00 0.00 C ATOM 568 C ARG A 42 2.844 -2.190 -5.696 1.00 0.00 C ATOM 569 O ARG A 42 2.614 -3.243 -5.100 1.00 0.00 O ATOM 570 CB ARG A 42 4.322 -2.906 -7.583 1.00 0.00 C ATOM 571 CG ARG A 42 5.334 -2.438 -8.616 1.00 0.00 C ATOM 572 CD ARG A 42 6.727 -2.964 -8.309 1.00 0.00 C ATOM 573 NE ARG A 42 7.648 -2.757 -9.423 1.00 0.00 N ATOM 574 CZ ARG A 42 8.879 -3.256 -9.463 1.00 0.00 C ATOM 575 NH1 ARG A 42 9.333 -3.988 -8.455 1.00 0.00 N ATOM 576 NH2 ARG A 42 9.657 -3.024 -10.512 1.00 0.00 N ATOM 0 H ARG A 42 5.758 -3.057 -5.543 1.00 0.00 H new ATOM 0 HA ARG A 42 4.218 -0.930 -6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.613 -3.893 -7.223 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.350 -3.016 -8.063 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.027 -2.774 -9.606 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.353 -1.348 -8.641 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.115 -2.466 -7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.670 -4.028 -8.079 1.00 0.00 H new ATOM 0 HE ARG A 42 7.329 -2.198 -10.214 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.737 -4.169 -7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.278 -4.370 -8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.311 -2.462 -11.289 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.602 -3.408 -10.541 1.00 0.00 H new ATOM 590 N ILE A 43 1.963 -1.199 -5.779 1.00 0.00 N ATOM 591 CA ILE A 43 0.646 -1.294 -5.161 1.00 0.00 C ATOM 592 C ILE A 43 -0.409 -1.716 -6.178 1.00 0.00 C ATOM 593 O ILE A 43 -0.775 -0.946 -7.067 1.00 0.00 O ATOM 594 CB ILE A 43 0.225 0.045 -4.526 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.316 0.553 -3.582 1.00 0.00 C ATOM 596 CG2 ILE A 43 -1.094 -0.113 -3.785 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.679 -0.433 -2.493 1.00 0.00 C ATOM 0 H ILE A 43 2.137 -0.321 -6.268 1.00 0.00 H new ATOM 0 HA ILE A 43 0.717 -2.051 -4.380 1.00 0.00 H new ATOM 0 HB ILE A 43 0.088 0.780 -5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.209 0.786 -4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.983 1.484 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.379 0.841 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.867 -0.434 -4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.982 -0.860 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.458 -0.007 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.798 -0.647 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.042 -1.356 -2.944 1.00 0.00 H new ATOM 609 N THR A 44 -0.897 -2.945 -6.040 1.00 0.00 N ATOM 610 CA THR A 44 -1.911 -3.470 -6.946 1.00 0.00 C ATOM 611 C THR A 44 -3.065 -4.099 -6.174 1.00 0.00 C ATOM 612 O THR A 44 -2.879 -5.074 -5.446 1.00 0.00 O ATOM 613 CB THR A 44 -1.318 -4.520 -7.905 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.222 -3.955 -8.633 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.374 -5.022 -8.877 1.00 0.00 C ATOM 0 H THR A 44 -0.606 -3.595 -5.310 1.00 0.00 H new ATOM 0 HA THR A 44 -2.283 -2.626 -7.527 1.00 0.00 H new ATOM 0 HB THR A 44 -0.963 -5.363 -7.312 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.150 -4.629 -9.239 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.932 -5.762 -9.544 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.193 -5.478 -8.321 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.755 -4.186 -9.464 1.00 0.00 H new ATOM 623 N TRP A 45 -4.256 -3.535 -6.337 1.00 0.00 N ATOM 624 CA TRP A 45 -5.442 -4.042 -5.655 1.00 0.00 C ATOM 625 C TRP A 45 -6.152 -5.089 -6.504 1.00 0.00 C ATOM 626 O TRP A 45 -6.224 -4.966 -7.728 1.00 0.00 O ATOM 627 CB TRP A 45 -6.399 -2.894 -5.332 1.00 0.00 C ATOM 628 CG TRP A 45 -5.770 -1.808 -4.511 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.894 -0.856 -4.947 1.00 0.00 C ATOM 630 CD2 TRP A 45 -5.968 -1.567 -3.114 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.535 -0.036 -3.904 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.180 -0.451 -2.769 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.734 -2.183 -2.122 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.139 0.059 -1.474 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.692 -1.676 -0.837 1.00 0.00 C ATOM 636 CH2 TRP A 45 -5.899 -0.564 -0.522 1.00 0.00 C ATOM 0 H TRP A 45 -4.427 -2.727 -6.935 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.123 -4.512 -4.725 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.770 -2.467 -6.264 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.262 -3.290 -4.797 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.536 -0.761 -5.962 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.892 0.754 -3.965 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.348 -3.040 -2.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.529 0.916 -1.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.280 -2.145 -0.062 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.888 -0.192 0.492 1.00 0.00 H new ATOM 647 N LEU A 46 -6.677 -6.119 -5.850 1.00 0.00 N ATOM 648 CA LEU A 46 -7.383 -7.189 -6.546 1.00 0.00 C ATOM 649 C LEU A 46 -8.721 -7.485 -5.875 1.00 0.00 C ATOM 650 O LEU A 46 -8.773 -7.817 -4.690 1.00 0.00 O ATOM 651 CB LEU A 46 -6.526 -8.455 -6.580 1.00 0.00 C ATOM 652 CG LEU A 46 -5.091 -8.281 -7.080 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.201 -9.391 -6.543 1.00 0.00 C ATOM 654 CD2 LEU A 46 -5.056 -8.256 -8.601 1.00 0.00 C ATOM 0 H LEU A 46 -6.627 -6.236 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.574 -6.860 -7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.491 -8.873 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.024 -9.190 -7.213 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.711 -7.328 -6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.184 -9.251 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.202 -9.363 -5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.579 -10.356 -6.881 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.027 -8.132 -8.939 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.455 -9.193 -8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.661 -7.425 -8.965 1.00 0.00 H new ATOM 666 N LEU A 47 -9.800 -7.364 -6.640 1.00 0.00 N ATOM 667 CA LEU A 47 -11.139 -7.621 -6.121 1.00 0.00 C ATOM 668 C LEU A 47 -11.667 -8.963 -6.618 1.00 0.00 C ATOM 669 O LEU A 47 -11.843 -9.166 -7.818 1.00 0.00 O ATOM 670 CB LEU A 47 -12.092 -6.499 -6.536 1.00 0.00 C ATOM 671 CG LEU A 47 -13.330 -6.311 -5.659 1.00 0.00 C ATOM 672 CD1 LEU A 47 -12.933 -5.831 -4.272 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.300 -5.334 -6.307 1.00 0.00 C ATOM 0 H LEU A 47 -9.774 -7.090 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.080 -7.655 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.535 -5.562 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.421 -6.688 -7.558 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.830 -7.274 -5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.827 -5.703 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.278 -6.567 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.409 -4.879 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.175 -5.213 -5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.811 -4.369 -6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.610 -5.719 -7.278 1.00 0.00 H new ATOM 685 N ASN A 48 -11.921 -9.875 -5.685 1.00 0.00 N ATOM 686 CA ASN A 48 -12.432 -11.197 -6.028 1.00 0.00 C ATOM 687 C ASN A 48 -11.499 -11.904 -7.006 1.00 0.00 C ATOM 688 O ASN A 48 -11.927 -12.756 -7.784 1.00 0.00 O ATOM 689 CB ASN A 48 -13.833 -11.085 -6.632 1.00 0.00 C ATOM 690 CG ASN A 48 -14.917 -11.031 -5.573 1.00 0.00 C ATOM 691 OD1 ASN A 48 -14.877 -11.770 -4.590 1.00 0.00 O ATOM 692 ND2 ASN A 48 -15.893 -10.152 -5.771 1.00 0.00 N ATOM 0 H ASN A 48 -11.781 -9.723 -4.686 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.485 -11.787 -5.113 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.888 -10.189 -7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.012 -11.937 -7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.650 -10.070 -5.093 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.885 -9.559 -6.601 1.00 0.00 H new ATOM 699 N GLY A 49 -10.219 -11.544 -6.960 1.00 0.00 N ATOM 700 CA GLY A 49 -9.245 -12.153 -7.847 1.00 0.00 C ATOM 701 C GLY A 49 -9.196 -11.480 -9.204 1.00 0.00 C ATOM 702 O GLY A 49 -8.958 -12.134 -10.219 1.00 0.00 O ATOM 0 H GLY A 49 -9.840 -10.842 -6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.259 -12.106 -7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.486 -13.208 -7.977 1.00 0.00 H new ATOM 706 N GLN A 50 -9.423 -10.171 -9.222 1.00 0.00 N ATOM 707 CA GLN A 50 -9.406 -9.411 -10.466 1.00 0.00 C ATOM 708 C GLN A 50 -8.821 -8.019 -10.245 1.00 0.00 C ATOM 709 O GLN A 50 -9.153 -7.325 -9.284 1.00 0.00 O ATOM 710 CB GLN A 50 -10.820 -9.297 -11.039 1.00 0.00 C ATOM 711 CG GLN A 50 -11.313 -10.575 -11.698 1.00 0.00 C ATOM 712 CD GLN A 50 -12.617 -10.379 -12.448 1.00 0.00 C ATOM 713 OE1 GLN A 50 -13.573 -9.816 -11.915 1.00 0.00 O ATOM 714 NE2 GLN A 50 -12.661 -10.845 -13.690 1.00 0.00 N ATOM 0 H GLN A 50 -9.621 -9.615 -8.390 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.775 -9.943 -11.178 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.507 -9.022 -10.238 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.843 -8.489 -11.770 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.553 -10.940 -12.388 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.448 -11.343 -10.937 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.844 -11.305 -14.091 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.512 -10.743 -14.243 1.00 0.00 H new ATOM 723 N PRO A 51 -7.929 -7.601 -11.156 1.00 0.00 N ATOM 724 CA PRO A 51 -7.279 -6.289 -11.082 1.00 0.00 C ATOM 725 C PRO A 51 -8.248 -5.145 -11.362 1.00 0.00 C ATOM 726 O PRO A 51 -8.876 -5.097 -12.420 1.00 0.00 O ATOM 727 CB PRO A 51 -6.209 -6.362 -12.173 1.00 0.00 C ATOM 728 CG PRO A 51 -6.723 -7.369 -13.143 1.00 0.00 C ATOM 729 CD PRO A 51 -7.487 -8.376 -12.327 1.00 0.00 C ATOM 0 HA PRO A 51 -6.881 -6.087 -10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.063 -5.393 -12.649 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.245 -6.664 -11.763 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.367 -6.901 -13.888 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.904 -7.844 -13.683 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.332 -8.784 -12.881 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.859 -9.218 -12.038 1.00 0.00 H new ATOM 737 N ILE A 52 -8.365 -4.228 -10.408 1.00 0.00 N ATOM 738 CA ILE A 52 -9.256 -3.084 -10.553 1.00 0.00 C ATOM 739 C ILE A 52 -8.743 -2.119 -11.616 1.00 0.00 C ATOM 740 O ILE A 52 -7.554 -1.805 -11.661 1.00 0.00 O ATOM 741 CB ILE A 52 -9.420 -2.325 -9.223 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.800 -3.294 -8.102 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.469 -1.232 -9.363 1.00 0.00 C ATOM 744 CD1 ILE A 52 -9.843 -2.649 -6.734 1.00 0.00 C ATOM 0 H ILE A 52 -7.854 -4.255 -9.526 1.00 0.00 H new ATOM 0 HA ILE A 52 -10.226 -3.477 -10.859 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.469 -1.858 -8.968 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.776 -3.726 -8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.084 -4.116 -8.085 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.574 -0.705 -8.415 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.161 -0.529 -10.137 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.425 -1.678 -9.637 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.119 -3.395 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.861 -2.241 -6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.580 -1.846 -6.734 1.00 0.00 H new ATOM 756 N GLN A 53 -9.648 -1.650 -12.469 1.00 0.00 N ATOM 757 CA GLN A 53 -9.287 -0.719 -13.532 1.00 0.00 C ATOM 758 C GLN A 53 -9.627 0.714 -13.138 1.00 0.00 C ATOM 759 O GLN A 53 -8.847 1.636 -13.379 1.00 0.00 O ATOM 760 CB GLN A 53 -10.007 -1.089 -14.830 1.00 0.00 C ATOM 761 CG GLN A 53 -11.519 -0.952 -14.747 1.00 0.00 C ATOM 762 CD GLN A 53 -12.240 -1.840 -15.741 1.00 0.00 C ATOM 763 OE1 GLN A 53 -12.398 -1.483 -16.909 1.00 0.00 O ATOM 764 NE2 GLN A 53 -12.683 -3.005 -15.283 1.00 0.00 N ATOM 0 H GLN A 53 -10.637 -1.899 -12.445 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.211 -0.787 -13.691 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.637 -0.454 -15.635 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.757 -2.117 -15.094 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.848 -1.201 -13.738 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.796 0.087 -14.926 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.530 -3.261 -14.308 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.176 -3.644 -15.907 1.00 0.00 H new ATOM 773 N TYR A 54 -10.795 0.895 -12.532 1.00 0.00 N ATOM 774 CA TYR A 54 -11.240 2.217 -12.108 1.00 0.00 C ATOM 775 C TYR A 54 -10.867 2.476 -10.651 1.00 0.00 C ATOM 776 O TYR A 54 -11.628 3.089 -9.904 1.00 0.00 O ATOM 777 CB TYR A 54 -12.752 2.352 -12.291 1.00 0.00 C ATOM 778 CG TYR A 54 -13.536 1.182 -11.741 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.844 1.102 -10.388 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.968 0.157 -12.572 1.00 0.00 C ATOM 781 CE1 TYR A 54 -14.559 0.035 -9.880 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.685 -0.914 -12.074 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.978 -0.970 -10.727 1.00 0.00 C ATOM 784 OH TYR A 54 -15.690 -2.036 -10.226 1.00 0.00 O ATOM 0 H TYR A 54 -11.451 0.142 -12.323 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.738 2.958 -12.730 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.088 3.266 -11.802 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.973 2.459 -13.353 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -13.519 1.888 -9.722 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.739 0.198 -13.627 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.789 -0.012 -8.826 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -15.014 -1.702 -12.735 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.909 -2.654 -10.954 1.00 0.00 H new ATOM 794 N ALA A 55 -9.690 2.003 -10.256 1.00 0.00 N ATOM 795 CA ALA A 55 -9.213 2.185 -8.890 1.00 0.00 C ATOM 796 C ALA A 55 -8.221 3.339 -8.804 1.00 0.00 C ATOM 797 O ALA A 55 -7.040 3.180 -9.114 1.00 0.00 O ATOM 798 CB ALA A 55 -8.578 0.901 -8.378 1.00 0.00 C ATOM 0 H ALA A 55 -9.049 1.491 -10.862 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.069 2.430 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.226 1.051 -7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.316 0.099 -8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.736 0.632 -9.016 1.00 0.00 H new ATOM 804 N ARG A 56 -8.708 4.502 -8.382 1.00 0.00 N ATOM 805 CA ARG A 56 -7.864 5.684 -8.257 1.00 0.00 C ATOM 806 C ARG A 56 -6.994 5.600 -7.006 1.00 0.00 C ATOM 807 O ARG A 56 -7.021 6.492 -6.158 1.00 0.00 O ATOM 808 CB ARG A 56 -8.724 6.948 -8.209 1.00 0.00 C ATOM 809 CG ARG A 56 -9.588 7.144 -9.444 1.00 0.00 C ATOM 810 CD ARG A 56 -10.834 7.956 -9.129 1.00 0.00 C ATOM 811 NE ARG A 56 -10.514 9.340 -8.788 1.00 0.00 N ATOM 812 CZ ARG A 56 -10.045 10.223 -9.662 1.00 0.00 C ATOM 813 NH1 ARG A 56 -9.844 9.869 -10.924 1.00 0.00 N ATOM 814 NH2 ARG A 56 -9.777 11.463 -9.275 1.00 0.00 N ATOM 0 H ARG A 56 -9.683 4.650 -8.121 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.213 5.729 -9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.366 6.907 -7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.074 7.815 -8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.009 7.649 -10.218 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.877 6.173 -9.845 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.504 7.940 -9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.369 7.493 -8.300 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.659 9.645 -7.825 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.050 8.917 -11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.484 10.549 -11.593 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.931 11.739 -8.305 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.417 12.140 -9.947 1.00 0.00 H new ATOM 828 N SER A 57 -6.223 4.523 -6.899 1.00 0.00 N ATOM 829 CA SER A 57 -5.347 4.321 -5.750 1.00 0.00 C ATOM 830 C SER A 57 -4.310 5.435 -5.655 1.00 0.00 C ATOM 831 O SER A 57 -3.804 5.917 -6.669 1.00 0.00 O ATOM 832 CB SER A 57 -4.648 2.964 -5.848 1.00 0.00 C ATOM 833 OG SER A 57 -3.789 2.913 -6.974 1.00 0.00 O ATOM 0 H SER A 57 -6.187 3.777 -7.593 1.00 0.00 H new ATOM 0 HA SER A 57 -5.960 4.342 -4.849 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.074 2.781 -4.940 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.393 2.172 -5.919 1.00 0.00 H new ATOM 0 HG SER A 57 -3.353 2.036 -7.013 1.00 0.00 H new ATOM 839 N THR A 58 -3.997 5.841 -4.428 1.00 0.00 N ATOM 840 CA THR A 58 -3.021 6.898 -4.199 1.00 0.00 C ATOM 841 C THR A 58 -2.076 6.537 -3.059 1.00 0.00 C ATOM 842 O THR A 58 -2.488 6.455 -1.901 1.00 0.00 O ATOM 843 CB THR A 58 -3.710 8.237 -3.874 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.678 8.051 -2.836 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.388 8.811 -5.109 1.00 0.00 C ATOM 0 H THR A 58 -4.406 5.453 -3.578 1.00 0.00 H new ATOM 0 HA THR A 58 -2.449 7.005 -5.121 1.00 0.00 H new ATOM 0 HB THR A 58 -2.948 8.940 -3.538 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.110 8.907 -2.634 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.867 9.756 -4.855 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.644 8.979 -5.887 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.139 8.109 -5.471 1.00 0.00 H new ATOM 853 N CYS A 59 -0.808 6.322 -3.393 1.00 0.00 N ATOM 854 CA CYS A 59 0.196 5.969 -2.396 1.00 0.00 C ATOM 855 C CYS A 59 1.048 7.180 -2.030 1.00 0.00 C ATOM 856 O CYS A 59 1.815 7.681 -2.851 1.00 0.00 O ATOM 857 CB CYS A 59 1.088 4.841 -2.918 1.00 0.00 C ATOM 858 SG CYS A 59 1.922 5.221 -4.476 1.00 0.00 S ATOM 0 H CYS A 59 -0.451 6.386 -4.346 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.322 5.628 -1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.839 4.608 -2.164 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.482 3.945 -3.052 1.00 0.00 H new ATOM 0 HG CYS A 59 2.299 6.465 -4.474 1.00 0.00 H new ATOM 864 N GLU A 60 0.906 7.644 -0.792 1.00 0.00 N ATOM 865 CA GLU A 60 1.661 8.798 -0.319 1.00 0.00 C ATOM 866 C GLU A 60 2.341 8.494 1.013 1.00 0.00 C ATOM 867 O GLU A 60 1.738 7.908 1.911 1.00 0.00 O ATOM 868 CB GLU A 60 0.741 10.011 -0.169 1.00 0.00 C ATOM 869 CG GLU A 60 -0.454 9.761 0.736 1.00 0.00 C ATOM 870 CD GLU A 60 -0.918 11.016 1.450 1.00 0.00 C ATOM 871 OE1 GLU A 60 -0.074 11.899 1.709 1.00 0.00 O ATOM 872 OE2 GLU A 60 -2.127 11.115 1.748 1.00 0.00 O ATOM 0 H GLU A 60 0.276 7.239 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 60 2.430 9.024 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.318 10.847 0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.384 10.309 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.276 9.360 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.193 9.003 1.474 1.00 0.00 H new ATOM 879 N ALA A 61 3.602 8.897 1.132 1.00 0.00 N ATOM 880 CA ALA A 61 4.365 8.670 2.354 1.00 0.00 C ATOM 881 C ALA A 61 4.122 7.266 2.899 1.00 0.00 C ATOM 882 O ALA A 61 3.870 7.088 4.090 1.00 0.00 O ATOM 883 CB ALA A 61 4.008 9.714 3.401 1.00 0.00 C ATOM 0 H ALA A 61 4.117 9.382 0.397 1.00 0.00 H new ATOM 0 HA ALA A 61 5.424 8.760 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.585 9.532 4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.239 10.708 3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.944 9.651 3.629 1.00 0.00 H new ATOM 889 N GLY A 62 4.199 6.273 2.019 1.00 0.00 N ATOM 890 CA GLY A 62 3.984 4.898 2.432 1.00 0.00 C ATOM 891 C GLY A 62 2.571 4.655 2.926 1.00 0.00 C ATOM 892 O GLY A 62 2.351 3.839 3.821 1.00 0.00 O ATOM 0 H GLY A 62 4.406 6.396 1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.192 4.233 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.691 4.645 3.222 1.00 0.00 H new ATOM 896 N VAL A 63 1.612 5.367 2.344 1.00 0.00 N ATOM 897 CA VAL A 63 0.213 5.226 2.731 1.00 0.00 C ATOM 898 C VAL A 63 -0.660 4.899 1.526 1.00 0.00 C ATOM 899 O VAL A 63 -1.186 5.795 0.866 1.00 0.00 O ATOM 900 CB VAL A 63 -0.316 6.507 3.402 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.782 6.349 3.775 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.519 6.851 4.626 1.00 0.00 C ATOM 0 H VAL A 63 1.778 6.048 1.603 1.00 0.00 H new ATOM 0 HA VAL A 63 0.164 4.404 3.445 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.233 7.329 2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.138 7.264 4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.367 6.154 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.893 5.515 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.131 7.759 5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.470 6.031 5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.555 7.010 4.327 1.00 0.00 H new ATOM 912 N ALA A 64 -0.811 3.609 1.244 1.00 0.00 N ATOM 913 CA ALA A 64 -1.623 3.163 0.118 1.00 0.00 C ATOM 914 C ALA A 64 -3.109 3.352 0.405 1.00 0.00 C ATOM 915 O ALA A 64 -3.605 2.942 1.453 1.00 0.00 O ATOM 916 CB ALA A 64 -1.327 1.705 -0.201 1.00 0.00 C ATOM 0 H ALA A 64 -0.382 2.854 1.780 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.366 3.773 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.940 1.385 -1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.273 1.595 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.555 1.089 0.669 1.00 0.00 H new ATOM 922 N GLU A 65 -3.813 3.977 -0.534 1.00 0.00 N ATOM 923 CA GLU A 65 -5.242 4.222 -0.381 1.00 0.00 C ATOM 924 C GLU A 65 -5.999 3.841 -1.650 1.00 0.00 C ATOM 925 O GLU A 65 -5.440 3.858 -2.748 1.00 0.00 O ATOM 926 CB GLU A 65 -5.497 5.692 -0.043 1.00 0.00 C ATOM 927 CG GLU A 65 -4.664 6.203 1.120 1.00 0.00 C ATOM 928 CD GLU A 65 -5.352 7.317 1.885 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.583 7.465 1.738 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.659 8.042 2.629 1.00 0.00 O ATOM 0 H GLU A 65 -3.417 4.323 -1.408 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.605 3.601 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.288 6.300 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.553 5.824 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.451 5.378 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.706 6.563 0.745 1.00 0.00 H new ATOM 937 N LEU A 66 -7.272 3.498 -1.492 1.00 0.00 N ATOM 938 CA LEU A 66 -8.107 3.113 -2.625 1.00 0.00 C ATOM 939 C LEU A 66 -9.464 3.808 -2.563 1.00 0.00 C ATOM 940 O LEU A 66 -10.359 3.381 -1.832 1.00 0.00 O ATOM 941 CB LEU A 66 -8.299 1.595 -2.649 1.00 0.00 C ATOM 942 CG LEU A 66 -8.907 1.016 -3.927 1.00 0.00 C ATOM 943 CD1 LEU A 66 -7.898 1.056 -5.064 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.390 -0.407 -3.690 1.00 0.00 C ATOM 0 H LEU A 66 -7.749 3.478 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.602 3.424 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.330 1.124 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.935 1.316 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.764 1.628 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.349 0.640 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.601 2.088 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.021 0.469 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.820 -0.803 -4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.550 -1.030 -3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.147 -0.408 -2.906 1.00 0.00 H new ATOM 956 N HIS A 67 -9.610 4.879 -3.336 1.00 0.00 N ATOM 957 CA HIS A 67 -10.859 5.632 -3.371 1.00 0.00 C ATOM 958 C HIS A 67 -11.927 4.875 -4.154 1.00 0.00 C ATOM 959 O HIS A 67 -11.782 4.641 -5.354 1.00 0.00 O ATOM 960 CB HIS A 67 -10.631 7.008 -3.997 1.00 0.00 C ATOM 961 CG HIS A 67 -9.653 7.855 -3.242 1.00 0.00 C ATOM 962 ND1 HIS A 67 -8.441 7.555 -2.720 1.00 0.00 N flip ATOM 963 CD2 HIS A 67 -9.878 9.183 -2.947 1.00 0.00 C flip ATOM 964 CE1 HIS A 67 -7.959 8.696 -2.126 1.00 0.00 C flip ATOM 965 NE2 HIS A 67 -8.845 9.664 -2.277 1.00 0.00 N flip ATOM 0 H HIS A 67 -8.879 5.245 -3.946 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.207 5.760 -2.346 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.274 6.879 -5.019 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.584 7.533 -4.056 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.760 9.743 -3.221 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.010 8.787 -1.618 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.748 10.620 -1.935 1.00 0.00 H new ATOM 974 N ILE A 68 -12.999 4.494 -3.466 1.00 0.00 N ATOM 975 CA ILE A 68 -14.091 3.763 -4.097 1.00 0.00 C ATOM 976 C ILE A 68 -15.427 4.457 -3.856 1.00 0.00 C ATOM 977 O ILE A 68 -16.064 4.254 -2.822 1.00 0.00 O ATOM 978 CB ILE A 68 -14.175 2.316 -3.578 1.00 0.00 C ATOM 979 CG1 ILE A 68 -12.835 1.603 -3.772 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.290 1.562 -4.287 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.565 1.203 -5.206 1.00 0.00 C ATOM 0 H ILE A 68 -13.134 4.680 -2.472 1.00 0.00 H new ATOM 0 HA ILE A 68 -13.882 3.744 -5.167 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.401 2.341 -2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.032 2.255 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.813 0.712 -3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.336 0.541 -3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.241 2.061 -4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.092 1.543 -5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.598 0.703 -5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.347 0.525 -5.548 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.555 2.092 -5.836 1.00 0.00 H new ATOM 993 N GLN A 69 -15.846 5.274 -4.816 1.00 0.00 N ATOM 994 CA GLN A 69 -17.108 5.996 -4.708 1.00 0.00 C ATOM 995 C GLN A 69 -18.261 5.164 -5.261 1.00 0.00 C ATOM 996 O GLN A 69 -18.049 4.225 -6.028 1.00 0.00 O ATOM 997 CB GLN A 69 -17.023 7.330 -5.452 1.00 0.00 C ATOM 998 CG GLN A 69 -16.864 7.178 -6.956 1.00 0.00 C ATOM 999 CD GLN A 69 -18.180 6.900 -7.657 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -18.355 5.668 -8.121 1.00 0.00 O flip ATOM 1001 NE2 GLN A 69 -19.029 7.783 -7.780 1.00 0.00 N flip ATOM 0 H GLN A 69 -15.330 5.453 -5.678 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.297 6.189 -3.652 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.923 7.909 -5.247 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.181 7.901 -5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.424 8.088 -7.365 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.167 6.366 -7.164 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.852 8.716 -7.408 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -19.909 7.582 -8.254 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.480 5.516 -4.867 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.666 4.802 -5.325 1.00 0.00 C ATOM 1012 C ASP A 70 -20.619 3.338 -4.897 1.00 0.00 C ATOM 1013 O ASP A 70 -20.940 2.443 -5.678 1.00 0.00 O ATOM 1014 CB ASP A 70 -20.791 4.898 -6.846 1.00 0.00 C ATOM 1015 CG ASP A 70 -22.223 4.745 -7.320 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -22.992 4.016 -6.660 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -22.574 5.354 -8.353 1.00 0.00 O ATOM 0 H ASP A 70 -19.673 6.291 -4.232 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.539 5.268 -4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.402 5.860 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -20.174 4.127 -7.308 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.214 3.103 -3.653 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.125 1.748 -3.122 1.00 0.00 C ATOM 1024 C ALA A 71 -21.374 0.942 -3.464 1.00 0.00 C ATOM 1025 O ALA A 71 -22.421 1.104 -2.836 1.00 0.00 O ATOM 1026 CB ALA A 71 -19.914 1.785 -1.616 1.00 0.00 C ATOM 0 H ALA A 71 -19.942 3.833 -2.994 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.269 1.257 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.849 0.767 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.990 2.317 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.752 2.298 -1.144 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.256 0.073 -4.462 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.376 -0.759 -4.888 1.00 0.00 C ATOM 1034 C LEU A 72 -22.363 -2.101 -4.163 1.00 0.00 C ATOM 1035 O LEU A 72 -21.326 -2.574 -3.699 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.326 -0.982 -6.400 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.735 0.208 -7.268 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.382 -0.048 -8.725 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.222 0.491 -7.119 1.00 0.00 C ATOM 0 H LEU A 72 -20.396 -0.074 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.300 -0.239 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.311 -1.272 -6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -22.974 -1.824 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.184 1.086 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.680 0.810 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.307 -0.200 -8.818 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.906 -0.938 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.495 1.341 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.792 -0.385 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.446 0.720 -6.077 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.543 -2.733 -4.066 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.693 -4.031 -3.402 1.00 0.00 C ATOM 1053 C PRO A 73 -23.041 -5.163 -4.188 1.00 0.00 C ATOM 1054 O PRO A 73 -22.994 -6.303 -3.728 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.210 -4.226 -3.343 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.741 -3.410 -4.471 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.820 -2.228 -4.597 1.00 0.00 C ATOM 0 HA PRO A 73 -23.209 -4.047 -2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.479 -5.277 -3.454 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.615 -3.892 -2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.762 -3.988 -5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.763 -3.089 -4.273 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.724 -1.902 -5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.183 -1.373 -4.026 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.539 -4.840 -5.376 1.00 0.00 N ATOM 1066 CA GLU A 74 -21.889 -5.831 -6.225 1.00 0.00 C ATOM 1067 C GLU A 74 -20.379 -5.831 -6.006 1.00 0.00 C ATOM 1068 O GLU A 74 -19.708 -6.838 -6.233 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.202 -5.557 -7.698 1.00 0.00 C ATOM 1070 CG GLU A 74 -23.643 -5.147 -7.948 1.00 0.00 C ATOM 1071 CD GLU A 74 -24.574 -6.337 -8.079 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -24.174 -7.336 -8.714 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -25.701 -6.271 -7.546 1.00 0.00 O ATOM 0 H GLU A 74 -22.570 -3.900 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.277 -6.813 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.541 -4.770 -8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.982 -6.452 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.983 -4.513 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -23.694 -4.549 -8.858 1.00 0.00 H new ATOM 1080 N ASP A 75 -19.852 -4.695 -5.563 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.422 -4.563 -5.311 1.00 0.00 C ATOM 1082 C ASP A 75 -17.983 -5.477 -4.172 1.00 0.00 C ATOM 1083 O ASP A 75 -16.913 -6.083 -4.225 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.073 -3.111 -4.980 1.00 0.00 C ATOM 1085 CG ASP A 75 -17.769 -2.291 -6.219 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -17.175 -2.847 -7.167 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -18.125 -1.095 -6.241 1.00 0.00 O ATOM 0 H ASP A 75 -20.394 -3.852 -5.371 1.00 0.00 H new ATOM 0 HA ASP A 75 -17.890 -4.860 -6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.903 -2.655 -4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.211 -3.091 -4.314 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.817 -5.571 -3.141 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.515 -6.411 -1.987 1.00 0.00 C ATOM 1094 C HIS A 76 -17.751 -7.661 -2.411 1.00 0.00 C ATOM 1095 O HIS A 76 -18.306 -8.552 -3.053 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.804 -6.806 -1.267 1.00 0.00 C ATOM 1097 CG HIS A 76 -19.719 -8.129 -0.569 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.358 -9.263 -1.023 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -19.061 -8.495 0.557 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -20.100 -10.269 -0.207 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -19.314 -9.829 0.760 1.00 0.00 N ATOM 0 H HIS A 76 -19.707 -5.076 -3.081 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.888 -5.838 -1.304 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -20.054 -6.035 -0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.619 -6.838 -1.990 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.451 -7.857 1.179 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -20.468 -11.279 -0.312 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -18.954 -10.390 1.532 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.473 -7.720 -2.048 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.654 -8.865 -2.400 1.00 0.00 C ATOM 1112 C GLY A 77 -14.465 -9.033 -1.476 1.00 0.00 C ATOM 1113 O GLY A 77 -14.612 -9.021 -0.253 1.00 0.00 O ATOM 0 H GLY A 77 -15.991 -6.995 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.264 -9.768 -2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.301 -8.754 -3.425 1.00 0.00 H new ATOM 1117 N THR A 78 -13.281 -9.192 -2.059 1.00 0.00 N ATOM 1118 CA THR A 78 -12.062 -9.367 -1.280 1.00 0.00 C ATOM 1119 C THR A 78 -10.936 -8.490 -1.816 1.00 0.00 C ATOM 1120 O THR A 78 -10.292 -8.827 -2.810 1.00 0.00 O ATOM 1121 CB THR A 78 -11.598 -10.836 -1.283 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.669 -11.688 -0.861 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.399 -11.027 -0.367 1.00 0.00 C ATOM 0 H THR A 78 -13.141 -9.203 -3.069 1.00 0.00 H new ATOM 0 HA THR A 78 -12.296 -9.070 -0.258 1.00 0.00 H new ATOM 0 HB THR A 78 -11.303 -11.099 -2.299 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.367 -12.620 -0.867 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.090 -12.072 -0.386 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.576 -10.399 -0.709 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.671 -10.747 0.651 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.703 -7.363 -1.152 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.655 -6.436 -1.563 1.00 0.00 C ATOM 1133 C TYR A 79 -8.290 -6.902 -1.067 1.00 0.00 C ATOM 1134 O TYR A 79 -8.023 -6.915 0.135 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.951 -5.032 -1.032 1.00 0.00 C ATOM 1136 CG TYR A 79 -11.087 -4.340 -1.751 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -12.400 -4.488 -1.322 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -10.846 -3.536 -2.859 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -13.440 -3.858 -1.976 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -11.881 -2.901 -3.518 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.176 -3.065 -3.074 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.210 -2.435 -3.727 1.00 0.00 O ATOM 0 H TYR A 79 -11.226 -7.069 -0.327 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.635 -6.409 -2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.190 -5.097 0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.052 -4.422 -1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.611 -5.107 -0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.833 -3.406 -3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.455 -3.985 -1.630 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.677 -2.279 -4.377 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.854 -1.915 -4.477 1.00 0.00 H new ATOM 1152 N THR A 80 -7.427 -7.286 -2.003 1.00 0.00 N ATOM 1153 CA THR A 80 -6.089 -7.754 -1.664 1.00 0.00 C ATOM 1154 C THR A 80 -5.023 -6.809 -2.205 1.00 0.00 C ATOM 1155 O THR A 80 -4.894 -6.631 -3.417 1.00 0.00 O ATOM 1156 CB THR A 80 -5.832 -9.169 -2.216 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.763 -10.094 -1.643 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.411 -9.618 -1.912 1.00 0.00 C ATOM 0 H THR A 80 -7.631 -7.282 -3.002 1.00 0.00 H new ATOM 0 HA THR A 80 -6.030 -7.780 -0.576 1.00 0.00 H new ATOM 0 HB THR A 80 -5.964 -9.144 -3.298 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.595 -10.991 -2.000 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.253 -10.620 -2.311 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.705 -8.928 -2.373 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.256 -9.629 -0.833 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.260 -6.205 -1.300 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.204 -5.277 -1.687 1.00 0.00 C ATOM 1168 C CYS A 81 -1.846 -5.971 -1.694 1.00 0.00 C ATOM 1169 O CYS A 81 -1.316 -6.333 -0.642 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.174 -4.080 -0.735 1.00 0.00 C ATOM 1171 SG CYS A 81 -1.959 -2.816 -1.177 1.00 0.00 S ATOM 0 H CYS A 81 -4.353 -6.342 -0.294 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.416 -4.924 -2.696 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.164 -3.624 -0.710 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.962 -4.436 0.273 1.00 0.00 H new ATOM 0 HG CYS A 81 -2.010 -1.844 -0.315 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.288 -6.156 -2.885 1.00 0.00 N ATOM 1178 CA LEU A 82 0.009 -6.809 -3.030 1.00 0.00 C ATOM 1179 C LEU A 82 1.124 -5.779 -3.180 1.00 0.00 C ATOM 1180 O LEU A 82 1.018 -4.847 -3.977 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.002 -7.746 -4.239 1.00 0.00 C ATOM 1182 CG LEU A 82 1.366 -8.123 -4.808 1.00 0.00 C ATOM 1183 CD1 LEU A 82 2.228 -8.775 -3.738 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.209 -9.048 -6.006 1.00 0.00 C ATOM 0 H LEU A 82 -1.713 -5.863 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 82 0.197 -7.392 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.522 -8.662 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.586 -7.278 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 82 1.863 -7.212 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.198 -9.036 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.369 -8.080 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.736 -9.677 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.193 -9.306 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.691 -9.957 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.630 -8.545 -6.781 1.00 0.00 H new ATOM 1196 N ALA A 83 2.193 -5.955 -2.411 1.00 0.00 N ATOM 1197 CA ALA A 83 3.329 -5.043 -2.462 1.00 0.00 C ATOM 1198 C ALA A 83 4.648 -5.809 -2.464 1.00 0.00 C ATOM 1199 O ALA A 83 5.053 -6.366 -1.444 1.00 0.00 O ATOM 1200 CB ALA A 83 3.281 -4.074 -1.290 1.00 0.00 C ATOM 0 H ALA A 83 2.296 -6.721 -1.745 1.00 0.00 H new ATOM 0 HA ALA A 83 3.267 -4.476 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.135 -3.399 -1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.358 -3.495 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.315 -4.632 -0.355 1.00 0.00 H new ATOM 1206 N GLU A 84 5.311 -5.833 -3.615 1.00 0.00 N ATOM 1207 CA GLU A 84 6.584 -6.533 -3.749 1.00 0.00 C ATOM 1208 C GLU A 84 7.644 -5.622 -4.362 1.00 0.00 C ATOM 1209 O GLU A 84 7.329 -4.717 -5.133 1.00 0.00 O ATOM 1210 CB GLU A 84 6.414 -7.787 -4.609 1.00 0.00 C ATOM 1211 CG GLU A 84 6.209 -7.489 -6.085 1.00 0.00 C ATOM 1212 CD GLU A 84 6.525 -8.680 -6.969 1.00 0.00 C ATOM 1213 OE1 GLU A 84 7.714 -9.045 -7.071 1.00 0.00 O ATOM 1214 OE2 GLU A 84 5.581 -9.247 -7.558 1.00 0.00 O ATOM 0 H GLU A 84 4.989 -5.376 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 84 6.914 -6.827 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.295 -8.419 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.562 -8.358 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.176 -7.182 -6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.841 -6.649 -6.374 1.00 0.00 H new ATOM 1221 N ASN A 85 8.902 -5.869 -4.012 1.00 0.00 N ATOM 1222 CA ASN A 85 10.009 -5.072 -4.526 1.00 0.00 C ATOM 1223 C ASN A 85 11.228 -5.947 -4.801 1.00 0.00 C ATOM 1224 O ASN A 85 11.174 -7.167 -4.656 1.00 0.00 O ATOM 1225 CB ASN A 85 10.374 -3.967 -3.532 1.00 0.00 C ATOM 1226 CG ASN A 85 11.045 -4.510 -2.285 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.441 -5.675 -2.237 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.176 -3.666 -1.269 1.00 0.00 N ATOM 0 H ASN A 85 9.180 -6.615 -3.374 1.00 0.00 H new ATOM 0 HA ASN A 85 9.691 -4.617 -5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.038 -3.251 -4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.472 -3.424 -3.249 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.620 -3.974 -0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.833 -2.709 -1.353 1.00 0.00 H new ATOM 1235 N ALA A 86 12.327 -5.313 -5.199 1.00 0.00 N ATOM 1236 CA ALA A 86 13.560 -6.033 -5.492 1.00 0.00 C ATOM 1237 C ALA A 86 14.087 -6.746 -4.251 1.00 0.00 C ATOM 1238 O ALA A 86 14.861 -7.699 -4.352 1.00 0.00 O ATOM 1239 CB ALA A 86 14.610 -5.079 -6.041 1.00 0.00 C ATOM 0 H ALA A 86 12.388 -4.303 -5.326 1.00 0.00 H new ATOM 0 HA ALA A 86 13.341 -6.788 -6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.526 -5.630 -6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 86 14.240 -4.619 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.818 -4.303 -5.304 1.00 0.00 H new ATOM 1245 N LEU A 87 13.665 -6.279 -3.082 1.00 0.00 N ATOM 1246 CA LEU A 87 14.095 -6.872 -1.820 1.00 0.00 C ATOM 1247 C LEU A 87 13.259 -8.102 -1.484 1.00 0.00 C ATOM 1248 O LEU A 87 13.727 -9.234 -1.600 1.00 0.00 O ATOM 1249 CB LEU A 87 13.991 -5.846 -0.690 1.00 0.00 C ATOM 1250 CG LEU A 87 15.222 -4.966 -0.467 1.00 0.00 C ATOM 1251 CD1 LEU A 87 16.326 -5.756 0.218 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.714 -4.393 -1.788 1.00 0.00 C ATOM 0 H LEU A 87 13.025 -5.491 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 87 15.135 -7.181 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.138 -5.198 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.776 -6.377 0.237 1.00 0.00 H new ATOM 0 HG LEU A 87 14.940 -4.138 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 87 17.194 -5.114 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.970 -6.117 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 87 16.607 -6.605 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.590 -3.770 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.979 -5.208 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.926 -3.791 -2.239 1.00 0.00 H new ATOM 1264 N GLY A 88 12.017 -7.872 -1.067 1.00 0.00 N ATOM 1265 CA GLY A 88 11.135 -8.972 -0.723 1.00 0.00 C ATOM 1266 C GLY A 88 9.779 -8.859 -1.392 1.00 0.00 C ATOM 1267 O GLY A 88 9.637 -8.179 -2.408 1.00 0.00 O ATOM 0 H GLY A 88 11.607 -6.944 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.603 -9.913 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.002 -9.002 0.358 1.00 0.00 H new ATOM 1271 N GLN A 89 8.782 -9.527 -0.821 1.00 0.00 N ATOM 1272 CA GLN A 89 7.432 -9.500 -1.371 1.00 0.00 C ATOM 1273 C GLN A 89 6.405 -9.890 -0.313 1.00 0.00 C ATOM 1274 O GLN A 89 6.590 -10.865 0.417 1.00 0.00 O ATOM 1275 CB GLN A 89 7.328 -10.443 -2.571 1.00 0.00 C ATOM 1276 CG GLN A 89 7.625 -11.895 -2.232 1.00 0.00 C ATOM 1277 CD GLN A 89 7.152 -12.854 -3.307 1.00 0.00 C ATOM 1278 OE1 GLN A 89 7.926 -13.666 -3.814 1.00 0.00 O ATOM 1279 NE2 GLN A 89 5.876 -12.765 -3.661 1.00 0.00 N ATOM 0 H GLN A 89 8.883 -10.093 0.021 1.00 0.00 H new ATOM 0 HA GLN A 89 7.221 -8.482 -1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.324 -10.375 -2.990 1.00 0.00 H new ATOM 0 HB3 GLN A 89 8.020 -10.110 -3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.698 -12.018 -2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.145 -12.149 -1.287 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.270 -12.077 -3.214 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.502 -13.385 -4.380 1.00 0.00 H new ATOM 1288 N VAL A 90 5.322 -9.123 -0.235 1.00 0.00 N ATOM 1289 CA VAL A 90 4.266 -9.389 0.734 1.00 0.00 C ATOM 1290 C VAL A 90 2.893 -9.072 0.150 1.00 0.00 C ATOM 1291 O VAL A 90 2.778 -8.325 -0.821 1.00 0.00 O ATOM 1292 CB VAL A 90 4.466 -8.568 2.022 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.804 -8.900 2.664 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.361 -7.080 1.727 1.00 0.00 C ATOM 0 H VAL A 90 5.153 -8.313 -0.831 1.00 0.00 H new ATOM 0 HA VAL A 90 4.319 -10.450 0.977 1.00 0.00 H new ATOM 0 HB VAL A 90 3.677 -8.831 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.928 -8.311 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.835 -9.961 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.610 -8.667 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.505 -6.515 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.127 -6.797 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.376 -6.859 1.316 1.00 0.00 H new ATOM 1304 N SER A 91 1.855 -9.644 0.750 1.00 0.00 N ATOM 1305 CA SER A 91 0.489 -9.426 0.289 1.00 0.00 C ATOM 1306 C SER A 91 -0.501 -9.541 1.444 1.00 0.00 C ATOM 1307 O SER A 91 -0.278 -10.294 2.393 1.00 0.00 O ATOM 1308 CB SER A 91 0.131 -10.432 -0.806 1.00 0.00 C ATOM 1309 OG SER A 91 -0.267 -11.673 -0.248 1.00 0.00 O ATOM 0 H SER A 91 1.934 -10.263 1.557 1.00 0.00 H new ATOM 0 HA SER A 91 0.427 -8.417 -0.119 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.674 -10.032 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.989 -10.583 -1.461 1.00 0.00 H new ATOM 0 HG SER A 91 -0.492 -12.298 -0.968 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.592 -8.789 1.357 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.617 -8.805 2.395 1.00 0.00 C ATOM 1317 C CYS A 92 -4.011 -8.714 1.784 1.00 0.00 C ATOM 1318 O CYS A 92 -4.160 -8.516 0.579 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.399 -7.650 3.374 1.00 0.00 C ATOM 1320 SG CYS A 92 -2.865 -6.030 2.719 1.00 0.00 S ATOM 0 H CYS A 92 -1.790 -8.160 0.579 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.538 -9.749 2.935 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -2.973 -7.843 4.280 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.348 -7.625 3.662 1.00 0.00 H new ATOM 0 HG CYS A 92 -2.647 -5.119 3.620 1.00 0.00 H new ATOM 1326 N SER A 93 -5.031 -8.861 2.625 1.00 0.00 N ATOM 1327 CA SER A 93 -6.414 -8.800 2.167 1.00 0.00 C ATOM 1328 C SER A 93 -7.333 -8.302 3.279 1.00 0.00 C ATOM 1329 O SER A 93 -6.916 -8.167 4.429 1.00 0.00 O ATOM 1330 CB SER A 93 -6.875 -10.178 1.687 1.00 0.00 C ATOM 1331 OG SER A 93 -6.648 -11.165 2.678 1.00 0.00 O ATOM 0 H SER A 93 -4.925 -9.023 3.626 1.00 0.00 H new ATOM 0 HA SER A 93 -6.465 -8.097 1.335 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.936 -10.144 1.439 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.343 -10.445 0.774 1.00 0.00 H new ATOM 0 HG SER A 93 -6.952 -12.036 2.348 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.585 -8.032 2.926 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.564 -7.551 3.892 1.00 0.00 C ATOM 1339 C ALA A 94 -10.984 -7.891 3.451 1.00 0.00 C ATOM 1340 O ALA A 94 -11.242 -8.100 2.266 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.417 -6.050 4.091 1.00 0.00 C ATOM 0 H ALA A 94 -8.945 -8.138 1.978 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.376 -8.052 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.155 -5.705 4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.415 -5.828 4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.575 -5.540 3.141 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.899 -7.947 4.412 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.293 -8.263 4.122 1.00 0.00 C ATOM 1349 C TRP A 95 -14.167 -7.018 4.226 1.00 0.00 C ATOM 1350 O TRP A 95 -14.579 -6.627 5.318 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.803 -9.341 5.080 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.244 -9.691 4.867 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.332 -8.989 5.303 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.755 -10.831 4.167 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.487 -9.624 4.916 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -17.161 -10.756 4.217 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -15.161 -11.906 3.500 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.979 -11.716 3.627 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.975 -12.859 2.916 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -17.371 -12.758 2.981 1.00 0.00 C ATOM 0 H TRP A 95 -11.701 -7.778 5.398 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.349 -8.639 3.100 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -13.197 -10.239 4.961 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.667 -8.999 6.106 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.290 -8.070 5.869 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.435 -9.304 5.117 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -14.086 -11.991 3.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -19.055 -11.641 3.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -15.527 -13.696 2.401 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.979 -13.517 2.512 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.446 -6.399 3.083 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.273 -5.198 3.047 1.00 0.00 C ATOM 1373 C VAL A 96 -16.714 -5.534 2.680 1.00 0.00 C ATOM 1374 O VAL A 96 -16.967 -6.350 1.792 1.00 0.00 O ATOM 1375 CB VAL A 96 -14.724 -4.170 2.039 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -15.657 -2.973 1.937 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.323 -3.732 2.436 1.00 0.00 C ATOM 0 H VAL A 96 -14.112 -6.709 2.170 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.248 -4.765 4.047 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.668 -4.642 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.254 -2.257 1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.640 -3.305 1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -15.747 -2.497 2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.950 -3.006 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.351 -3.277 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.662 -4.599 2.453 1.00 0.00 H new ATOM 1387 N THR A 97 -17.657 -4.900 3.369 1.00 0.00 N ATOM 1388 CA THR A 97 -19.074 -5.131 3.117 1.00 0.00 C ATOM 1389 C THR A 97 -19.778 -3.842 2.709 1.00 0.00 C ATOM 1390 O THR A 97 -19.457 -2.763 3.208 1.00 0.00 O ATOM 1391 CB THR A 97 -19.777 -5.717 4.356 1.00 0.00 C ATOM 1392 OG1 THR A 97 -19.051 -6.852 4.841 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.205 -6.125 4.026 1.00 0.00 C ATOM 0 H THR A 97 -17.465 -4.222 4.106 1.00 0.00 H new ATOM 0 HA THR A 97 -19.136 -5.849 2.300 1.00 0.00 H new ATOM 0 HB THR A 97 -19.805 -4.948 5.128 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.504 -7.217 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.681 -6.536 4.916 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.763 -5.253 3.686 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.195 -6.879 3.239 1.00 0.00 H new ATOM 1401 N VAL A 98 -20.739 -3.960 1.799 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.490 -2.804 1.326 1.00 0.00 C ATOM 1403 C VAL A 98 -22.986 -2.989 1.552 1.00 0.00 C ATOM 1404 O VAL A 98 -23.612 -3.865 0.954 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.237 -2.545 -0.172 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -21.934 -1.269 -0.618 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -19.744 -2.474 -0.455 1.00 0.00 C ATOM 0 H VAL A 98 -21.016 -4.845 1.374 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.143 -1.945 1.900 1.00 0.00 H new ATOM 0 HB VAL A 98 -21.653 -3.376 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -21.744 -1.102 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.007 -1.363 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -21.551 -0.425 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -19.583 -2.291 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.302 -1.663 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.275 -3.417 -0.175 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.555 -2.159 2.420 1.00 0.00 N ATOM 1418 CA HIS A 99 -24.980 -2.231 2.726 1.00 0.00 C ATOM 1419 C HIS A 99 -25.811 -1.676 1.573 1.00 0.00 C ATOM 1420 O HIS A 99 -27.025 -1.875 1.519 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.287 -1.459 4.010 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.546 -1.969 5.207 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.909 -3.114 5.885 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.456 -1.484 5.847 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -24.075 -3.310 6.890 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -23.184 -2.335 6.889 1.00 0.00 N ATOM 0 H HIS A 99 -23.052 -1.429 2.924 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.244 -3.279 2.870 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.039 -0.408 3.860 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.358 -1.509 4.207 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -25.698 -3.715 5.647 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -22.903 -0.593 5.586 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -24.115 -4.129 7.593 1.00 0.00 H new TER 1435 HIS A 99