USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 36 GLN : amide:sc= 2.43 K(o=1.4,f=-8.3!) USER MOD Set 1.2: A 48 ASN : amide:sc= -1.06! C(o=1.4!,f=-7.4!) USER MOD Set 2.1: A 30 THR OG1 : rot -59:sc= 1.14 USER MOD Set 2.2: A 32 TYR OH : rot 92:sc= -0.334! USER MOD Set 3.1: A 14 SER OG : rot 180:sc= 0.154 USER MOD Set 3.2: A 113 ASN : amide:sc= 0.308 K(o=0.46,f=-1.2) USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.113 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 30:sc= 0.806 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -176:sc= -1 USER MOD Single : A 11 SER OG : rot 180:sc= 0.00793 USER MOD Single : A 17 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.18 K(o=-0.18,f=-0.71) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 51:sc= 0.124 USER MOD Single : A 56 THR OG1 : rot 20:sc= 0.117 USER MOD Single : A 60 ASN : amide:sc= 1.14 K(o=1.1,f=-0.16) USER MOD Single : A 62 SER OG : rot 45:sc= 0.816 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 140:sc= -0.0074 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 146:sc= 1.3 USER MOD Single : A 72 SER OG : rot -94:sc= 1.17 USER MOD Single : A 81 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 125:sc= 0.48 USER MOD Single : A 90 THR OG1 : rot -29:sc= 0.102 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 20:sc= 0.752 USER MOD Single : A 103 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.68) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0411 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.099 5.895 15.386 1.00 0.00 N ATOM 2 CA ALA A 1 -16.655 4.528 15.311 1.00 0.00 C ATOM 3 C ALA A 1 -15.565 3.534 14.941 1.00 0.00 C ATOM 4 O ALA A 1 -14.446 3.925 14.598 1.00 0.00 O ATOM 5 CB ALA A 1 -17.798 4.475 14.309 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.145 6.235 16.368 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.108 5.885 15.070 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.651 6.529 14.774 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.048 4.256 16.291 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.197 3.462 14.265 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.586 5.162 14.619 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.432 4.764 13.324 1.00 0.00 H new ATOM 11 N ALA A 2 -15.891 2.253 15.009 1.00 0.00 N ATOM 12 CA ALA A 2 -14.938 1.201 14.698 1.00 0.00 C ATOM 13 C ALA A 2 -15.076 0.733 13.256 1.00 0.00 C ATOM 14 O ALA A 2 -16.138 0.263 12.849 1.00 0.00 O ATOM 15 CB ALA A 2 -15.129 0.027 15.646 1.00 0.00 C ATOM 0 H ALA A 2 -16.815 1.916 15.279 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.935 1.610 14.824 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.410 -0.756 15.405 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.973 0.359 16.672 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.141 -0.364 15.541 1.00 0.00 H new ATOM 21 N PRO A 3 -14.009 0.866 12.459 1.00 0.00 N ATOM 22 CA PRO A 3 -14.010 0.431 11.070 1.00 0.00 C ATOM 23 C PRO A 3 -13.684 -1.058 10.946 1.00 0.00 C ATOM 24 O PRO A 3 -13.143 -1.669 11.875 1.00 0.00 O ATOM 25 CB PRO A 3 -12.910 1.287 10.447 1.00 0.00 C ATOM 26 CG PRO A 3 -11.935 1.516 11.553 1.00 0.00 C ATOM 27 CD PRO A 3 -12.719 1.471 12.845 1.00 0.00 C ATOM 0 HA PRO A 3 -14.980 0.549 10.587 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.441 0.778 9.605 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.308 2.229 10.069 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.157 0.753 11.546 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.438 2.479 11.436 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.209 0.874 13.601 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.855 2.468 13.264 1.00 0.00 H new ATOM 35 N THR A 4 -14.014 -1.638 9.805 1.00 0.00 N ATOM 36 CA THR A 4 -13.759 -3.049 9.566 1.00 0.00 C ATOM 37 C THR A 4 -12.698 -3.228 8.483 1.00 0.00 C ATOM 38 O THR A 4 -12.984 -3.117 7.289 1.00 0.00 O ATOM 39 CB THR A 4 -15.049 -3.778 9.146 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.184 -3.204 9.820 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.960 -5.264 9.465 1.00 0.00 C ATOM 0 H THR A 4 -14.460 -1.152 9.027 1.00 0.00 H new ATOM 0 HA THR A 4 -13.396 -3.482 10.498 1.00 0.00 H new ATOM 0 HB THR A 4 -15.171 -3.660 8.069 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.999 -3.673 9.545 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.883 -5.758 9.159 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.119 -5.702 8.927 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.815 -5.398 10.537 1.00 0.00 H new ATOM 49 N ALA A 5 -11.473 -3.490 8.903 1.00 0.00 N ATOM 50 CA ALA A 5 -10.372 -3.683 7.972 1.00 0.00 C ATOM 51 C ALA A 5 -10.115 -5.167 7.752 1.00 0.00 C ATOM 52 O ALA A 5 -9.803 -5.897 8.695 1.00 0.00 O ATOM 53 CB ALA A 5 -9.118 -2.989 8.486 1.00 0.00 C ATOM 0 H ALA A 5 -11.214 -3.574 9.886 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.643 -3.239 7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.302 -3.142 7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.311 -1.921 8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.842 -3.406 9.454 1.00 0.00 H new ATOM 59 N THR A 6 -10.259 -5.609 6.509 1.00 0.00 N ATOM 60 CA THR A 6 -10.049 -7.005 6.164 1.00 0.00 C ATOM 61 C THR A 6 -9.111 -7.129 4.970 1.00 0.00 C ATOM 62 O THR A 6 -9.525 -6.963 3.822 1.00 0.00 O ATOM 63 CB THR A 6 -11.384 -7.703 5.840 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.266 -6.798 5.153 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.054 -8.207 7.106 1.00 0.00 C ATOM 0 H THR A 6 -10.522 -5.016 5.722 1.00 0.00 H new ATOM 0 HA THR A 6 -9.598 -7.492 7.028 1.00 0.00 H new ATOM 0 HB THR A 6 -11.170 -8.556 5.196 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.737 -6.156 4.635 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.994 -8.696 6.850 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.398 -8.920 7.605 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.251 -7.367 7.772 1.00 0.00 H new ATOM 73 N VAL A 7 -7.845 -7.393 5.236 1.00 0.00 N ATOM 74 CA VAL A 7 -6.871 -7.526 4.164 1.00 0.00 C ATOM 75 C VAL A 7 -6.303 -8.939 4.105 1.00 0.00 C ATOM 76 O VAL A 7 -6.268 -9.653 5.108 1.00 0.00 O ATOM 77 CB VAL A 7 -5.714 -6.511 4.305 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.250 -5.089 4.325 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.895 -6.785 5.555 1.00 0.00 C ATOM 0 H VAL A 7 -7.468 -7.519 6.175 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.402 -7.316 3.236 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.061 -6.626 3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.421 -4.389 4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.784 -4.888 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.930 -4.968 5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.088 -6.056 5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.535 -6.708 6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.473 -7.789 5.501 1.00 0.00 H new ATOM 89 N THR A 8 -5.881 -9.340 2.918 1.00 0.00 N ATOM 90 CA THR A 8 -5.297 -10.654 2.708 1.00 0.00 C ATOM 91 C THR A 8 -3.796 -10.513 2.460 1.00 0.00 C ATOM 92 O THR A 8 -3.369 -10.294 1.328 1.00 0.00 O ATOM 93 CB THR A 8 -5.955 -11.367 1.509 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.383 -11.326 1.645 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.487 -12.816 1.407 1.00 0.00 C ATOM 0 H THR A 8 -5.933 -8.767 2.076 1.00 0.00 H new ATOM 0 HA THR A 8 -5.470 -11.254 3.601 1.00 0.00 H new ATOM 0 HB THR A 8 -5.659 -10.848 0.598 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.798 -11.778 0.881 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.967 -13.294 0.553 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.405 -12.841 1.276 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.754 -13.350 2.319 1.00 0.00 H new ATOM 103 N PRO A 9 -2.976 -10.608 3.520 1.00 0.00 N ATOM 104 CA PRO A 9 -1.523 -10.474 3.412 1.00 0.00 C ATOM 105 C PRO A 9 -0.870 -11.684 2.755 1.00 0.00 C ATOM 106 O PRO A 9 -1.318 -12.819 2.926 1.00 0.00 O ATOM 107 CB PRO A 9 -1.052 -10.350 4.871 1.00 0.00 C ATOM 108 CG PRO A 9 -2.291 -10.198 5.691 1.00 0.00 C ATOM 109 CD PRO A 9 -3.391 -10.848 4.906 1.00 0.00 C ATOM 0 HA PRO A 9 -1.250 -9.623 2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.488 -11.232 5.175 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.393 -9.491 4.997 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.174 -10.673 6.665 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.511 -9.146 5.873 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.473 -11.912 5.127 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.362 -10.402 5.122 1.00 0.00 H new ATOM 117 N SER A 10 0.187 -11.436 1.998 1.00 0.00 N ATOM 118 CA SER A 10 0.919 -12.499 1.332 1.00 0.00 C ATOM 119 C SER A 10 1.932 -13.118 2.290 1.00 0.00 C ATOM 120 O SER A 10 3.143 -12.972 2.127 1.00 0.00 O ATOM 121 CB SER A 10 1.614 -11.941 0.093 1.00 0.00 C ATOM 122 OG SER A 10 0.717 -11.150 -0.666 1.00 0.00 O ATOM 0 H SER A 10 0.558 -10.501 1.829 1.00 0.00 H new ATOM 0 HA SER A 10 0.224 -13.280 1.022 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.474 -11.341 0.391 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.993 -12.760 -0.519 1.00 0.00 H new ATOM 0 HG SER A 10 1.159 -10.851 -1.488 1.00 0.00 H new ATOM 128 N SER A 11 1.421 -13.785 3.311 1.00 0.00 N ATOM 129 CA SER A 11 2.257 -14.416 4.318 1.00 0.00 C ATOM 130 C SER A 11 2.772 -15.768 3.832 1.00 0.00 C ATOM 131 O SER A 11 2.065 -16.775 3.904 1.00 0.00 O ATOM 132 CB SER A 11 1.455 -14.589 5.608 1.00 0.00 C ATOM 133 OG SER A 11 0.461 -13.584 5.720 1.00 0.00 O ATOM 0 H SER A 11 0.420 -13.904 3.465 1.00 0.00 H new ATOM 0 HA SER A 11 3.120 -13.777 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.987 -15.573 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.124 -14.543 6.467 1.00 0.00 H new ATOM 0 HG SER A 11 -0.042 -13.713 6.551 1.00 0.00 H new ATOM 139 N GLY A 12 3.995 -15.783 3.318 1.00 0.00 N ATOM 140 CA GLY A 12 4.585 -17.017 2.840 1.00 0.00 C ATOM 141 C GLY A 12 4.292 -17.272 1.378 1.00 0.00 C ATOM 142 O GLY A 12 4.298 -18.415 0.925 1.00 0.00 O ATOM 0 H GLY A 12 4.590 -14.960 3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.664 -16.982 2.990 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.208 -17.850 3.433 1.00 0.00 H new ATOM 146 N LEU A 13 4.041 -16.208 0.634 1.00 0.00 N ATOM 147 CA LEU A 13 3.745 -16.326 -0.786 1.00 0.00 C ATOM 148 C LEU A 13 4.878 -15.734 -1.610 1.00 0.00 C ATOM 149 O LEU A 13 5.642 -14.907 -1.121 1.00 0.00 O ATOM 150 CB LEU A 13 2.428 -15.627 -1.126 1.00 0.00 C ATOM 151 CG LEU A 13 1.194 -16.172 -0.407 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.049 -15.394 -0.806 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.008 -17.650 -0.702 1.00 0.00 C ATOM 0 H LEU A 13 4.036 -15.252 0.989 1.00 0.00 H new ATOM 0 HA LEU A 13 3.646 -17.384 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.527 -14.567 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.264 -15.701 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 13 1.348 -16.051 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.915 -15.799 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.078 -14.344 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.202 -15.480 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.124 -18.017 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.882 -17.794 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.885 -18.202 -0.363 1.00 0.00 H new ATOM 165 N SER A 14 4.990 -16.164 -2.853 1.00 0.00 N ATOM 166 CA SER A 14 6.031 -15.673 -3.738 1.00 0.00 C ATOM 167 C SER A 14 5.650 -14.309 -4.309 1.00 0.00 C ATOM 168 O SER A 14 4.535 -13.828 -4.095 1.00 0.00 O ATOM 169 CB SER A 14 6.255 -16.677 -4.866 1.00 0.00 C ATOM 170 OG SER A 14 6.274 -18.005 -4.362 1.00 0.00 O ATOM 0 H SER A 14 4.370 -16.856 -3.275 1.00 0.00 H new ATOM 0 HA SER A 14 6.955 -15.557 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.465 -16.577 -5.610 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.197 -16.461 -5.370 1.00 0.00 H new ATOM 0 HG SER A 14 6.417 -18.633 -5.100 1.00 0.00 H new ATOM 176 N ASP A 15 6.571 -13.685 -5.032 1.00 0.00 N ATOM 177 CA ASP A 15 6.307 -12.378 -5.625 1.00 0.00 C ATOM 178 C ASP A 15 5.409 -12.535 -6.847 1.00 0.00 C ATOM 179 O ASP A 15 5.317 -13.617 -7.427 1.00 0.00 O ATOM 180 CB ASP A 15 7.615 -11.674 -6.004 1.00 0.00 C ATOM 181 CG ASP A 15 8.319 -12.325 -7.174 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.983 -13.363 -6.972 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.234 -11.790 -8.298 1.00 0.00 O ATOM 0 H ASP A 15 7.501 -14.058 -5.222 1.00 0.00 H new ATOM 0 HA ASP A 15 5.796 -11.759 -4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.403 -10.633 -6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.282 -11.670 -5.142 1.00 0.00 H new ATOM 188 N GLY A 16 4.740 -11.457 -7.227 1.00 0.00 N ATOM 189 CA GLY A 16 3.840 -11.512 -8.362 1.00 0.00 C ATOM 190 C GLY A 16 2.419 -11.822 -7.937 1.00 0.00 C ATOM 191 O GLY A 16 1.508 -11.874 -8.763 1.00 0.00 O ATOM 0 H GLY A 16 4.803 -10.547 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.862 -10.559 -8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.184 -12.273 -9.063 1.00 0.00 H new ATOM 195 N THR A 17 2.238 -12.038 -6.644 1.00 0.00 N ATOM 196 CA THR A 17 0.932 -12.344 -6.089 1.00 0.00 C ATOM 197 C THR A 17 0.136 -11.055 -5.885 1.00 0.00 C ATOM 198 O THR A 17 0.713 -9.972 -5.753 1.00 0.00 O ATOM 199 CB THR A 17 1.075 -13.097 -4.748 1.00 0.00 C ATOM 200 OG1 THR A 17 2.086 -14.105 -4.871 1.00 0.00 O ATOM 201 CG2 THR A 17 -0.237 -13.749 -4.327 1.00 0.00 C ATOM 0 H THR A 17 2.989 -12.006 -5.954 1.00 0.00 H new ATOM 0 HA THR A 17 0.398 -12.985 -6.790 1.00 0.00 H new ATOM 0 HB THR A 17 1.354 -12.371 -3.984 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.970 -13.682 -4.882 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.097 -14.269 -3.379 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.003 -12.983 -4.211 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.550 -14.462 -5.090 1.00 0.00 H new ATOM 209 N VAL A 18 -1.182 -11.172 -5.874 1.00 0.00 N ATOM 210 CA VAL A 18 -2.043 -10.011 -5.699 1.00 0.00 C ATOM 211 C VAL A 18 -2.567 -9.914 -4.271 1.00 0.00 C ATOM 212 O VAL A 18 -3.318 -10.779 -3.813 1.00 0.00 O ATOM 213 CB VAL A 18 -3.243 -10.031 -6.667 1.00 0.00 C ATOM 214 CG1 VAL A 18 -2.962 -9.171 -7.884 1.00 0.00 C ATOM 215 CG2 VAL A 18 -3.580 -11.453 -7.088 1.00 0.00 C ATOM 0 H VAL A 18 -1.679 -12.056 -5.984 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.425 -9.141 -5.919 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.105 -9.619 -6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.821 -9.198 -8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.780 -8.143 -7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.083 -9.552 -8.404 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.430 -11.439 -7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.720 -11.898 -7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.832 -12.043 -6.207 1.00 0.00 H new ATOM 225 N VAL A 19 -2.165 -8.859 -3.581 1.00 0.00 N ATOM 226 CA VAL A 19 -2.600 -8.621 -2.212 1.00 0.00 C ATOM 227 C VAL A 19 -3.989 -7.998 -2.227 1.00 0.00 C ATOM 228 O VAL A 19 -4.178 -6.903 -2.761 1.00 0.00 O ATOM 229 CB VAL A 19 -1.635 -7.682 -1.452 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.010 -7.610 0.022 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.192 -8.134 -1.621 1.00 0.00 C ATOM 0 H VAL A 19 -1.533 -8.148 -3.949 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.612 -9.581 -1.696 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.726 -6.683 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.320 -6.945 0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.026 -7.228 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.953 -8.606 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.467 -7.457 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.079 -9.145 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.071 -8.124 -2.679 1.00 0.00 H new ATOM 241 N LYS A 20 -4.955 -8.702 -1.656 1.00 0.00 N ATOM 242 CA LYS A 20 -6.326 -8.219 -1.618 1.00 0.00 C ATOM 243 C LYS A 20 -6.551 -7.343 -0.395 1.00 0.00 C ATOM 244 O LYS A 20 -6.407 -7.794 0.741 1.00 0.00 O ATOM 245 CB LYS A 20 -7.307 -9.398 -1.615 1.00 0.00 C ATOM 246 CG LYS A 20 -8.769 -8.973 -1.655 1.00 0.00 C ATOM 247 CD LYS A 20 -9.705 -10.170 -1.719 1.00 0.00 C ATOM 248 CE LYS A 20 -9.675 -10.838 -3.084 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.622 -11.980 -3.156 1.00 0.00 N ATOM 0 H LYS A 20 -4.814 -9.610 -1.213 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.504 -7.618 -2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.099 -10.036 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.136 -10.000 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.999 -8.379 -0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.938 -8.333 -2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.423 -10.893 -0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.722 -9.849 -1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.927 -10.107 -3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.665 -11.189 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.574 -12.411 -4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.367 -12.689 -2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.589 -11.641 -2.979 1.00 0.00 H new ATOM 263 N VAL A 21 -6.887 -6.086 -0.635 1.00 0.00 N ATOM 264 CA VAL A 21 -7.136 -5.142 0.442 1.00 0.00 C ATOM 265 C VAL A 21 -8.587 -4.673 0.404 1.00 0.00 C ATOM 266 O VAL A 21 -9.001 -3.991 -0.533 1.00 0.00 O ATOM 267 CB VAL A 21 -6.188 -3.927 0.345 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.563 -2.848 1.354 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.745 -4.366 0.543 1.00 0.00 C ATOM 0 H VAL A 21 -6.994 -5.694 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.947 -5.650 1.388 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.291 -3.499 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.876 -2.007 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.581 -2.509 1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.500 -3.256 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.088 -3.499 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.636 -4.825 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.476 -5.089 -0.227 1.00 0.00 H new ATOM 279 N ALA A 22 -9.358 -5.055 1.414 1.00 0.00 N ATOM 280 CA ALA A 22 -10.762 -4.677 1.491 1.00 0.00 C ATOM 281 C ALA A 22 -11.062 -3.967 2.804 1.00 0.00 C ATOM 282 O ALA A 22 -11.013 -4.570 3.878 1.00 0.00 O ATOM 283 CB ALA A 22 -11.651 -5.901 1.337 1.00 0.00 C ATOM 0 H ALA A 22 -9.033 -5.628 2.193 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.973 -3.987 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.697 -5.601 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.462 -6.368 0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.432 -6.613 2.133 1.00 0.00 H new ATOM 289 N GLY A 23 -11.365 -2.685 2.714 1.00 0.00 N ATOM 290 CA GLY A 23 -11.668 -1.915 3.897 1.00 0.00 C ATOM 291 C GLY A 23 -13.107 -1.443 3.921 1.00 0.00 C ATOM 292 O GLY A 23 -13.601 -0.886 2.938 1.00 0.00 O ATOM 0 H GLY A 23 -11.407 -2.162 1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.471 -2.520 4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.004 -1.052 3.947 1.00 0.00 H new ATOM 296 N ALA A 24 -13.780 -1.676 5.039 1.00 0.00 N ATOM 297 CA ALA A 24 -15.166 -1.269 5.208 1.00 0.00 C ATOM 298 C ALA A 24 -15.288 -0.327 6.398 1.00 0.00 C ATOM 299 O ALA A 24 -14.501 -0.404 7.342 1.00 0.00 O ATOM 300 CB ALA A 24 -16.059 -2.487 5.390 1.00 0.00 C ATOM 0 H ALA A 24 -13.382 -2.150 5.850 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.492 -0.742 4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.093 -2.165 5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.983 -3.129 4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.742 -3.042 6.273 1.00 0.00 H new ATOM 306 N GLY A 25 -16.278 0.551 6.359 1.00 0.00 N ATOM 307 CA GLY A 25 -16.458 1.504 7.435 1.00 0.00 C ATOM 308 C GLY A 25 -15.548 2.699 7.263 1.00 0.00 C ATOM 309 O GLY A 25 -15.086 3.294 8.237 1.00 0.00 O ATOM 0 H GLY A 25 -16.959 0.621 5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.496 1.835 7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.252 1.021 8.390 1.00 0.00 H new ATOM 313 N LEU A 26 -15.290 3.038 6.008 1.00 0.00 N ATOM 314 CA LEU A 26 -14.428 4.155 5.663 1.00 0.00 C ATOM 315 C LEU A 26 -15.258 5.376 5.281 1.00 0.00 C ATOM 316 O LEU A 26 -16.460 5.430 5.553 1.00 0.00 O ATOM 317 CB LEU A 26 -13.502 3.759 4.508 1.00 0.00 C ATOM 318 CG LEU A 26 -12.514 2.632 4.825 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.729 2.243 3.584 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.567 3.045 5.943 1.00 0.00 C ATOM 0 H LEU A 26 -15.673 2.545 5.201 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.823 4.412 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.115 3.456 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.938 4.638 4.197 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.084 1.765 5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.033 1.441 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.417 1.901 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.173 3.107 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.874 2.230 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.007 3.929 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.141 3.272 6.841 1.00 0.00 H new ATOM 332 N GLN A 27 -14.618 6.351 4.655 1.00 0.00 N ATOM 333 CA GLN A 27 -15.297 7.570 4.245 1.00 0.00 C ATOM 334 C GLN A 27 -15.783 7.442 2.804 1.00 0.00 C ATOM 335 O GLN A 27 -14.982 7.400 1.870 1.00 0.00 O ATOM 336 CB GLN A 27 -14.357 8.767 4.389 1.00 0.00 C ATOM 337 CG GLN A 27 -15.059 10.111 4.308 1.00 0.00 C ATOM 338 CD GLN A 27 -16.055 10.320 5.430 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.876 9.823 6.542 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.120 11.045 5.141 1.00 0.00 N ATOM 0 H GLN A 27 -13.626 6.322 4.419 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.162 7.728 4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.837 8.696 5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.598 8.717 3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.315 10.907 4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.575 10.190 3.351 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.230 11.439 4.207 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.832 11.211 5.852 1.00 0.00 H new ATOM 349 N ALA A 28 -17.094 7.387 2.634 1.00 0.00 N ATOM 350 CA ALA A 28 -17.697 7.245 1.315 1.00 0.00 C ATOM 351 C ALA A 28 -17.395 8.443 0.418 1.00 0.00 C ATOM 352 O ALA A 28 -17.882 9.548 0.656 1.00 0.00 O ATOM 353 CB ALA A 28 -19.201 7.047 1.446 1.00 0.00 C ATOM 0 H ALA A 28 -17.767 7.439 3.399 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.257 6.366 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.642 6.942 0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.400 6.148 2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.639 7.909 1.948 1.00 0.00 H new ATOM 359 N GLY A 29 -16.583 8.219 -0.607 1.00 0.00 N ATOM 360 CA GLY A 29 -16.245 9.286 -1.526 1.00 0.00 C ATOM 361 C GLY A 29 -14.791 9.718 -1.462 1.00 0.00 C ATOM 362 O GLY A 29 -14.420 10.724 -2.066 1.00 0.00 O ATOM 0 H GLY A 29 -16.153 7.318 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.473 8.963 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.879 10.147 -1.316 1.00 0.00 H new ATOM 366 N THR A 30 -13.960 8.980 -0.737 1.00 0.00 N ATOM 367 CA THR A 30 -12.551 9.338 -0.638 1.00 0.00 C ATOM 368 C THR A 30 -11.665 8.288 -1.303 1.00 0.00 C ATOM 369 O THR A 30 -11.967 7.093 -1.268 1.00 0.00 O ATOM 370 CB THR A 30 -12.105 9.543 0.827 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.591 8.478 1.652 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.616 10.870 1.361 1.00 0.00 C ATOM 0 H THR A 30 -14.230 8.145 -0.218 1.00 0.00 H new ATOM 0 HA THR A 30 -12.435 10.286 -1.164 1.00 0.00 H new ATOM 0 HB THR A 30 -11.015 9.546 0.850 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.570 8.450 1.608 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.291 10.996 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.219 11.684 0.754 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.705 10.884 1.319 1.00 0.00 H new ATOM 380 N ALA A 31 -10.585 8.748 -1.927 1.00 0.00 N ATOM 381 CA ALA A 31 -9.648 7.861 -2.598 1.00 0.00 C ATOM 382 C ALA A 31 -8.505 7.495 -1.662 1.00 0.00 C ATOM 383 O ALA A 31 -8.035 8.329 -0.883 1.00 0.00 O ATOM 384 CB ALA A 31 -9.114 8.508 -3.867 1.00 0.00 C ATOM 0 H ALA A 31 -10.338 9.736 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.174 6.948 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.415 7.829 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.942 8.723 -4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.602 9.436 -3.614 1.00 0.00 H new ATOM 390 N TYR A 32 -8.055 6.254 -1.749 1.00 0.00 N ATOM 391 CA TYR A 32 -6.983 5.771 -0.898 1.00 0.00 C ATOM 392 C TYR A 32 -5.807 5.267 -1.726 1.00 0.00 C ATOM 393 O TYR A 32 -5.981 4.739 -2.827 1.00 0.00 O ATOM 394 CB TYR A 32 -7.496 4.650 0.016 1.00 0.00 C ATOM 395 CG TYR A 32 -8.742 5.021 0.788 1.00 0.00 C ATOM 396 CD1 TYR A 32 -8.659 5.739 1.973 1.00 0.00 C ATOM 397 CD2 TYR A 32 -10.002 4.667 0.323 1.00 0.00 C ATOM 398 CE1 TYR A 32 -9.798 6.101 2.669 1.00 0.00 C ATOM 399 CE2 TYR A 32 -11.143 5.019 1.017 1.00 0.00 C ATOM 400 CZ TYR A 32 -11.036 5.737 2.189 1.00 0.00 C ATOM 401 OH TYR A 32 -12.172 6.103 2.875 1.00 0.00 O ATOM 0 H TYR A 32 -8.418 5.561 -2.404 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.638 6.605 -0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.702 3.766 -0.588 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.710 4.378 0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.690 6.019 2.358 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.091 4.107 -0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.717 6.667 3.585 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.115 4.733 0.643 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.499 6.961 2.532 1.00 0.00 H new ATOM 411 N ASP A 33 -4.617 5.437 -1.182 1.00 0.00 N ATOM 412 CA ASP A 33 -3.393 5.006 -1.831 1.00 0.00 C ATOM 413 C ASP A 33 -2.908 3.720 -1.185 1.00 0.00 C ATOM 414 O ASP A 33 -2.493 3.714 -0.021 1.00 0.00 O ATOM 415 CB ASP A 33 -2.317 6.085 -1.714 1.00 0.00 C ATOM 416 CG ASP A 33 -2.373 7.098 -2.838 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.272 7.967 -2.821 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.503 7.050 -3.733 1.00 0.00 O ATOM 0 H ASP A 33 -4.471 5.879 -0.275 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.593 4.832 -2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.430 6.601 -0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.335 5.612 -1.706 1.00 0.00 H new ATOM 423 N VAL A 34 -2.985 2.628 -1.929 1.00 0.00 N ATOM 424 CA VAL A 34 -2.565 1.334 -1.418 1.00 0.00 C ATOM 425 C VAL A 34 -1.518 0.707 -2.331 1.00 0.00 C ATOM 426 O VAL A 34 -1.705 0.629 -3.546 1.00 0.00 O ATOM 427 CB VAL A 34 -3.753 0.358 -1.268 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.353 -0.845 -0.426 1.00 0.00 C ATOM 429 CG2 VAL A 34 -4.969 1.052 -0.665 1.00 0.00 C ATOM 0 H VAL A 34 -3.334 2.612 -2.887 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.136 1.511 -0.432 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.027 0.011 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.202 -1.521 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.526 -1.367 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.044 -0.510 0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.787 0.338 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.714 1.441 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.276 1.874 -1.311 1.00 0.00 H new ATOM 439 N GLY A 35 -0.412 0.291 -1.739 1.00 0.00 N ATOM 440 CA GLY A 35 0.657 -0.345 -2.484 1.00 0.00 C ATOM 441 C GLY A 35 1.540 -1.145 -1.562 1.00 0.00 C ATOM 442 O GLY A 35 1.236 -1.275 -0.377 1.00 0.00 O ATOM 0 H GLY A 35 -0.232 0.384 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.237 -0.996 -3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.249 0.411 -2.999 1.00 0.00 H new ATOM 446 N GLN A 36 2.639 -1.670 -2.074 1.00 0.00 N ATOM 447 CA GLN A 36 3.552 -2.448 -1.246 1.00 0.00 C ATOM 448 C GLN A 36 4.549 -1.513 -0.563 1.00 0.00 C ATOM 449 O GLN A 36 5.752 -1.765 -0.525 1.00 0.00 O ATOM 450 CB GLN A 36 4.266 -3.523 -2.080 1.00 0.00 C ATOM 451 CG GLN A 36 5.239 -2.980 -3.109 1.00 0.00 C ATOM 452 CD GLN A 36 5.806 -4.071 -3.991 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.306 -4.320 -5.086 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.847 -4.738 -3.516 1.00 0.00 N ATOM 0 H GLN A 36 2.922 -1.575 -3.049 1.00 0.00 H new ATOM 0 HA GLN A 36 2.982 -2.966 -0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.804 -4.189 -1.406 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.515 -4.126 -2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.734 -2.240 -3.729 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.054 -2.466 -2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.232 -4.499 -2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.264 -5.490 -4.064 1.00 0.00 H new ATOM 463 N CYS A 37 4.013 -0.433 -0.011 1.00 0.00 N ATOM 464 CA CYS A 37 4.810 0.575 0.663 1.00 0.00 C ATOM 465 C CYS A 37 5.577 -0.006 1.841 1.00 0.00 C ATOM 466 O CYS A 37 5.008 -0.270 2.901 1.00 0.00 O ATOM 467 CB CYS A 37 3.916 1.715 1.140 1.00 0.00 C ATOM 468 SG CYS A 37 2.433 1.971 0.106 1.00 0.00 S ATOM 0 H CYS A 37 3.013 -0.234 -0.019 1.00 0.00 H new ATOM 0 HA CYS A 37 5.537 0.954 -0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.603 1.514 2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.498 2.637 1.159 1.00 0.00 H new ATOM 473 N ALA A 38 6.869 -0.200 1.642 1.00 0.00 N ATOM 474 CA ALA A 38 7.734 -0.736 2.676 1.00 0.00 C ATOM 475 C ALA A 38 8.671 0.347 3.187 1.00 0.00 C ATOM 476 O ALA A 38 8.643 1.478 2.696 1.00 0.00 O ATOM 477 CB ALA A 38 8.519 -1.924 2.137 1.00 0.00 C ATOM 0 H ALA A 38 7.345 0.008 0.764 1.00 0.00 H new ATOM 0 HA ALA A 38 7.123 -1.080 3.510 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.165 -2.319 2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.826 -2.700 1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.128 -1.604 1.292 1.00 0.00 H new ATOM 483 N TRP A 39 9.490 0.003 4.172 1.00 0.00 N ATOM 484 CA TRP A 39 10.438 0.950 4.743 1.00 0.00 C ATOM 485 C TRP A 39 11.453 1.374 3.692 1.00 0.00 C ATOM 486 O TRP A 39 12.158 0.538 3.124 1.00 0.00 O ATOM 487 CB TRP A 39 11.155 0.336 5.948 1.00 0.00 C ATOM 488 CG TRP A 39 10.360 0.398 7.216 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.161 -0.202 7.465 1.00 0.00 C ATOM 490 CD2 TRP A 39 10.715 1.098 8.415 1.00 0.00 C ATOM 491 NE1 TRP A 39 8.747 0.087 8.743 1.00 0.00 N ATOM 492 CE2 TRP A 39 9.684 0.883 9.346 1.00 0.00 C ATOM 493 CE3 TRP A 39 11.804 1.889 8.789 1.00 0.00 C ATOM 494 CZ2 TRP A 39 9.710 1.429 10.629 1.00 0.00 C ATOM 495 CZ3 TRP A 39 11.831 2.426 10.063 1.00 0.00 C ATOM 496 CH2 TRP A 39 10.792 2.195 10.968 1.00 0.00 C ATOM 0 H TRP A 39 9.517 -0.926 4.592 1.00 0.00 H new ATOM 0 HA TRP A 39 9.887 1.828 5.079 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.391 -0.705 5.728 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.103 0.853 6.098 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.617 -0.814 6.761 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.881 -0.239 9.173 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.610 2.078 8.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.906 1.254 11.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 12.671 3.035 10.364 1.00 0.00 H new ATOM 0 HH2 TRP A 39 10.844 2.630 11.955 1.00 0.00 H new ATOM 507 N VAL A 40 11.515 2.668 3.420 1.00 0.00 N ATOM 508 CA VAL A 40 12.442 3.184 2.428 1.00 0.00 C ATOM 509 C VAL A 40 13.615 3.881 3.107 1.00 0.00 C ATOM 510 O VAL A 40 14.719 3.942 2.562 1.00 0.00 O ATOM 511 CB VAL A 40 11.741 4.145 1.438 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.491 5.515 2.061 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.544 4.272 0.152 1.00 0.00 C ATOM 0 H VAL A 40 10.936 3.377 3.871 1.00 0.00 H new ATOM 0 HA VAL A 40 12.819 2.337 1.855 1.00 0.00 H new ATOM 0 HB VAL A 40 10.769 3.716 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.997 6.161 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.855 5.405 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.442 5.960 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.034 4.952 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.536 4.663 0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.639 3.292 -0.316 1.00 0.00 H new ATOM 523 N ASP A 41 13.370 4.389 4.309 1.00 0.00 N ATOM 524 CA ASP A 41 14.397 5.082 5.071 1.00 0.00 C ATOM 525 C ASP A 41 14.072 5.019 6.561 1.00 0.00 C ATOM 526 O ASP A 41 13.195 4.261 6.978 1.00 0.00 O ATOM 527 CB ASP A 41 14.512 6.540 4.610 1.00 0.00 C ATOM 528 CG ASP A 41 15.910 7.095 4.784 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.218 7.609 5.879 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.705 7.026 3.825 1.00 0.00 O ATOM 0 H ASP A 41 12.465 4.333 4.777 1.00 0.00 H new ATOM 0 HA ASP A 41 15.355 4.591 4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.225 6.610 3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.809 7.153 5.174 1.00 0.00 H new ATOM 535 N THR A 42 14.771 5.819 7.353 1.00 0.00 N ATOM 536 CA THR A 42 14.574 5.855 8.794 1.00 0.00 C ATOM 537 C THR A 42 13.235 6.494 9.166 1.00 0.00 C ATOM 538 O THR A 42 13.117 7.718 9.261 1.00 0.00 O ATOM 539 CB THR A 42 15.724 6.626 9.468 1.00 0.00 C ATOM 540 OG1 THR A 42 16.978 6.175 8.937 1.00 0.00 O ATOM 541 CG2 THR A 42 15.714 6.427 10.974 1.00 0.00 C ATOM 0 H THR A 42 15.489 6.460 7.015 1.00 0.00 H new ATOM 0 HA THR A 42 14.566 4.825 9.151 1.00 0.00 H new ATOM 0 HB THR A 42 15.588 7.688 9.262 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.710 6.667 9.364 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.538 6.984 11.420 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.770 6.787 11.382 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.827 5.367 11.202 1.00 0.00 H new ATOM 549 N GLY A 43 12.223 5.655 9.356 1.00 0.00 N ATOM 550 CA GLY A 43 10.906 6.139 9.722 1.00 0.00 C ATOM 551 C GLY A 43 10.084 6.530 8.513 1.00 0.00 C ATOM 552 O GLY A 43 8.901 6.847 8.628 1.00 0.00 O ATOM 0 H GLY A 43 12.293 4.642 9.262 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.380 5.366 10.283 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.008 6.999 10.384 1.00 0.00 H new ATOM 556 N VAL A 44 10.709 6.499 7.347 1.00 0.00 N ATOM 557 CA VAL A 44 10.031 6.857 6.115 1.00 0.00 C ATOM 558 C VAL A 44 9.786 5.620 5.258 1.00 0.00 C ATOM 559 O VAL A 44 10.656 4.756 5.131 1.00 0.00 O ATOM 560 CB VAL A 44 10.844 7.886 5.300 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.030 8.413 4.129 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.309 9.032 6.187 1.00 0.00 C ATOM 0 H VAL A 44 11.686 6.229 7.229 1.00 0.00 H new ATOM 0 HA VAL A 44 9.077 7.306 6.391 1.00 0.00 H new ATOM 0 HB VAL A 44 11.725 7.381 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.623 9.136 3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.756 7.585 3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.127 8.896 4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.880 9.745 5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.442 9.532 6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.938 8.641 6.986 1.00 0.00 H new ATOM 572 N LEU A 45 8.600 5.536 4.681 1.00 0.00 N ATOM 573 CA LEU A 45 8.235 4.419 3.829 1.00 0.00 C ATOM 574 C LEU A 45 7.969 4.930 2.421 1.00 0.00 C ATOM 575 O LEU A 45 7.967 6.141 2.200 1.00 0.00 O ATOM 576 CB LEU A 45 7.010 3.696 4.392 1.00 0.00 C ATOM 577 CG LEU A 45 7.232 3.026 5.751 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.721 3.911 6.877 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.557 1.665 5.787 1.00 0.00 C ATOM 0 H LEU A 45 7.867 6.237 4.789 1.00 0.00 H new ATOM 0 HA LEU A 45 9.055 3.702 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.193 4.412 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.691 2.938 3.676 1.00 0.00 H new ATOM 0 HG LEU A 45 8.303 2.883 5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.889 3.416 7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.253 4.862 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.654 4.090 6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.724 1.202 6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.486 1.785 5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.976 1.030 5.006 1.00 0.00 H new ATOM 591 N ALA A 46 7.763 4.029 1.473 1.00 0.00 N ATOM 592 CA ALA A 46 7.515 4.436 0.097 1.00 0.00 C ATOM 593 C ALA A 46 6.647 3.425 -0.643 1.00 0.00 C ATOM 594 O ALA A 46 6.837 2.221 -0.501 1.00 0.00 O ATOM 595 CB ALA A 46 8.834 4.625 -0.621 1.00 0.00 C ATOM 0 H ALA A 46 7.762 3.021 1.627 1.00 0.00 H new ATOM 0 HA ALA A 46 6.970 5.380 0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.647 4.930 -1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.417 5.395 -0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.389 3.687 -0.615 1.00 0.00 H new ATOM 601 N CYS A 47 5.701 3.926 -1.433 1.00 0.00 N ATOM 602 CA CYS A 47 4.792 3.067 -2.199 1.00 0.00 C ATOM 603 C CYS A 47 5.289 2.871 -3.629 1.00 0.00 C ATOM 604 O CYS A 47 6.120 3.644 -4.109 1.00 0.00 O ATOM 605 CB CYS A 47 3.388 3.671 -2.223 1.00 0.00 C ATOM 606 SG CYS A 47 2.630 3.870 -0.579 1.00 0.00 S ATOM 0 H CYS A 47 5.541 4.925 -1.562 1.00 0.00 H new ATOM 0 HA CYS A 47 4.761 2.094 -1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.432 4.645 -2.710 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.743 3.039 -2.833 1.00 0.00 H new ATOM 611 N ASN A 48 4.770 1.844 -4.304 1.00 0.00 N ATOM 612 CA ASN A 48 5.162 1.544 -5.678 1.00 0.00 C ATOM 613 C ASN A 48 4.130 2.073 -6.676 1.00 0.00 C ATOM 614 O ASN A 48 3.013 1.567 -6.763 1.00 0.00 O ATOM 615 CB ASN A 48 5.360 0.028 -5.874 1.00 0.00 C ATOM 616 CG ASN A 48 4.108 -0.800 -5.604 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.373 -0.557 -4.642 1.00 0.00 O ATOM 618 ND2 ASN A 48 3.866 -1.795 -6.448 1.00 0.00 N ATOM 0 H ASN A 48 4.075 1.205 -3.918 1.00 0.00 H new ATOM 0 HA ASN A 48 6.110 2.047 -5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.692 -0.156 -6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.158 -0.312 -5.214 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.049 -2.391 -6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.497 -1.964 -7.231 1.00 0.00 H new ATOM 625 N PRO A 49 4.493 3.101 -7.455 1.00 0.00 N ATOM 626 CA PRO A 49 3.598 3.691 -8.453 1.00 0.00 C ATOM 627 C PRO A 49 3.560 2.892 -9.760 1.00 0.00 C ATOM 628 O PRO A 49 2.875 3.273 -10.712 1.00 0.00 O ATOM 629 CB PRO A 49 4.211 5.068 -8.684 1.00 0.00 C ATOM 630 CG PRO A 49 5.669 4.865 -8.465 1.00 0.00 C ATOM 631 CD PRO A 49 5.799 3.791 -7.413 1.00 0.00 C ATOM 0 HA PRO A 49 2.562 3.713 -8.114 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.007 5.430 -9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.804 5.805 -7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.162 4.564 -9.389 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.144 5.789 -8.137 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.620 3.109 -7.636 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.996 4.216 -6.429 1.00 0.00 H new ATOM 639 N ALA A 50 4.286 1.783 -9.791 1.00 0.00 N ATOM 640 CA ALA A 50 4.344 0.941 -10.977 1.00 0.00 C ATOM 641 C ALA A 50 3.228 -0.099 -11.003 1.00 0.00 C ATOM 642 O ALA A 50 2.817 -0.542 -12.074 1.00 0.00 O ATOM 643 CB ALA A 50 5.694 0.246 -11.059 1.00 0.00 C ATOM 0 H ALA A 50 4.844 1.445 -9.007 1.00 0.00 H new ATOM 0 HA ALA A 50 4.209 1.592 -11.841 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.727 -0.381 -11.950 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.485 0.994 -11.112 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.839 -0.373 -10.174 1.00 0.00 H new ATOM 649 N ASP A 51 2.730 -0.486 -9.835 1.00 0.00 N ATOM 650 CA ASP A 51 1.683 -1.501 -9.774 1.00 0.00 C ATOM 651 C ASP A 51 0.695 -1.229 -8.646 1.00 0.00 C ATOM 652 O ASP A 51 0.232 -2.153 -7.974 1.00 0.00 O ATOM 653 CB ASP A 51 2.297 -2.894 -9.604 1.00 0.00 C ATOM 654 CG ASP A 51 1.965 -3.814 -10.761 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.770 -4.071 -11.000 1.00 0.00 O ATOM 656 OD2 ASP A 51 2.901 -4.290 -11.438 1.00 0.00 O ATOM 0 H ASP A 51 3.027 -0.120 -8.930 1.00 0.00 H new ATOM 0 HA ASP A 51 1.136 -1.460 -10.716 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.379 -2.803 -9.514 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.936 -3.337 -8.676 1.00 0.00 H new ATOM 661 N PHE A 52 0.361 0.036 -8.448 1.00 0.00 N ATOM 662 CA PHE A 52 -0.586 0.409 -7.407 1.00 0.00 C ATOM 663 C PHE A 52 -1.930 0.753 -8.038 1.00 0.00 C ATOM 664 O PHE A 52 -2.034 0.873 -9.259 1.00 0.00 O ATOM 665 CB PHE A 52 -0.051 1.578 -6.565 1.00 0.00 C ATOM 666 CG PHE A 52 -0.280 2.942 -7.154 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.246 3.280 -8.390 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.015 3.890 -6.462 1.00 0.00 C ATOM 669 CE1 PHE A 52 0.042 4.535 -8.926 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.220 5.148 -6.991 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.692 5.472 -8.226 1.00 0.00 C ATOM 0 H PHE A 52 0.728 0.818 -8.990 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.721 -0.437 -6.733 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.518 1.541 -5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.020 1.438 -6.415 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.823 2.552 -8.941 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.433 3.642 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.456 4.784 -9.892 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.793 5.879 -6.440 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.853 6.455 -8.643 1.00 0.00 H new ATOM 681 N SER A 53 -2.954 0.898 -7.218 1.00 0.00 N ATOM 682 CA SER A 53 -4.277 1.215 -7.723 1.00 0.00 C ATOM 683 C SER A 53 -4.976 2.218 -6.813 1.00 0.00 C ATOM 684 O SER A 53 -5.138 1.977 -5.615 1.00 0.00 O ATOM 685 CB SER A 53 -5.109 -0.063 -7.834 1.00 0.00 C ATOM 686 OG SER A 53 -4.405 -1.081 -8.532 1.00 0.00 O ATOM 0 H SER A 53 -2.896 0.802 -6.204 1.00 0.00 H new ATOM 0 HA SER A 53 -4.174 1.664 -8.711 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.370 -0.417 -6.837 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.044 0.154 -8.350 1.00 0.00 H new ATOM 0 HG SER A 53 -4.962 -1.886 -8.586 1.00 0.00 H new ATOM 692 N SER A 54 -5.367 3.352 -7.382 1.00 0.00 N ATOM 693 CA SER A 54 -6.062 4.379 -6.623 1.00 0.00 C ATOM 694 C SER A 54 -7.529 3.996 -6.443 1.00 0.00 C ATOM 695 O SER A 54 -8.384 4.346 -7.261 1.00 0.00 O ATOM 696 CB SER A 54 -5.940 5.735 -7.326 1.00 0.00 C ATOM 697 OG SER A 54 -6.200 5.619 -8.715 1.00 0.00 O ATOM 0 H SER A 54 -5.214 3.581 -8.364 1.00 0.00 H new ATOM 0 HA SER A 54 -5.602 4.461 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.639 6.442 -6.881 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.939 6.138 -7.173 1.00 0.00 H new ATOM 0 HG SER A 54 -7.044 5.141 -8.851 1.00 0.00 H new ATOM 703 N VAL A 55 -7.804 3.253 -5.386 1.00 0.00 N ATOM 704 CA VAL A 55 -9.155 2.806 -5.092 1.00 0.00 C ATOM 705 C VAL A 55 -9.912 3.880 -4.308 1.00 0.00 C ATOM 706 O VAL A 55 -9.320 4.619 -3.521 1.00 0.00 O ATOM 707 CB VAL A 55 -9.137 1.471 -4.304 1.00 0.00 C ATOM 708 CG1 VAL A 55 -8.489 1.654 -2.938 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.540 0.898 -4.164 1.00 0.00 C ATOM 0 H VAL A 55 -7.104 2.944 -4.712 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.671 2.635 -6.037 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.538 0.758 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.489 0.703 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.463 1.999 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.051 2.391 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.497 -0.038 -3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.172 1.609 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.958 0.713 -5.154 1.00 0.00 H new ATOM 719 N THR A 56 -11.210 3.983 -4.538 1.00 0.00 N ATOM 720 CA THR A 56 -12.023 4.967 -3.847 1.00 0.00 C ATOM 721 C THR A 56 -13.188 4.282 -3.140 1.00 0.00 C ATOM 722 O THR A 56 -13.691 3.260 -3.610 1.00 0.00 O ATOM 723 CB THR A 56 -12.542 6.053 -4.823 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.267 7.062 -4.110 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.435 5.451 -5.900 1.00 0.00 C ATOM 0 H THR A 56 -11.722 3.397 -5.198 1.00 0.00 H new ATOM 0 HA THR A 56 -11.399 5.461 -3.102 1.00 0.00 H new ATOM 0 HB THR A 56 -11.674 6.502 -5.305 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.018 7.036 -3.163 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.782 6.240 -6.568 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.870 4.714 -6.471 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.293 4.968 -5.433 1.00 0.00 H new ATOM 733 N ALA A 57 -13.589 4.819 -1.995 1.00 0.00 N ATOM 734 CA ALA A 57 -14.691 4.250 -1.232 1.00 0.00 C ATOM 735 C ALA A 57 -16.011 4.487 -1.946 1.00 0.00 C ATOM 736 O ALA A 57 -16.269 5.584 -2.441 1.00 0.00 O ATOM 737 CB ALA A 57 -14.731 4.830 0.172 1.00 0.00 C ATOM 0 H ALA A 57 -13.168 5.647 -1.575 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.531 3.175 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.562 4.391 0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.796 4.606 0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.864 5.910 0.116 1.00 0.00 H new ATOM 743 N ASP A 58 -16.839 3.454 -1.994 1.00 0.00 N ATOM 744 CA ASP A 58 -18.133 3.529 -2.655 1.00 0.00 C ATOM 745 C ASP A 58 -19.179 4.171 -1.744 1.00 0.00 C ATOM 746 O ASP A 58 -18.859 4.614 -0.640 1.00 0.00 O ATOM 747 CB ASP A 58 -18.594 2.129 -3.095 1.00 0.00 C ATOM 748 CG ASP A 58 -19.065 1.254 -1.941 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.553 1.400 -0.811 1.00 0.00 O ATOM 750 OD2 ASP A 58 -19.957 0.411 -2.164 1.00 0.00 O ATOM 0 H ASP A 58 -16.634 2.545 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.023 4.156 -3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.404 2.232 -3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.772 1.629 -3.608 1.00 0.00 H new ATOM 755 N ALA A 59 -20.426 4.201 -2.207 1.00 0.00 N ATOM 756 CA ALA A 59 -21.529 4.793 -1.448 1.00 0.00 C ATOM 757 C ALA A 59 -21.772 4.062 -0.128 1.00 0.00 C ATOM 758 O ALA A 59 -22.384 4.607 0.790 1.00 0.00 O ATOM 759 CB ALA A 59 -22.800 4.799 -2.286 1.00 0.00 C ATOM 0 H ALA A 59 -20.701 3.819 -3.112 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.248 5.819 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.613 5.242 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.636 5.383 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.062 3.776 -2.557 1.00 0.00 H new ATOM 765 N ASN A 60 -21.295 2.827 -0.038 1.00 0.00 N ATOM 766 CA ASN A 60 -21.459 2.030 1.175 1.00 0.00 C ATOM 767 C ASN A 60 -20.323 2.316 2.151 1.00 0.00 C ATOM 768 O ASN A 60 -20.371 1.923 3.313 1.00 0.00 O ATOM 769 CB ASN A 60 -21.498 0.532 0.851 1.00 0.00 C ATOM 770 CG ASN A 60 -22.683 0.144 -0.013 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.805 0.008 0.475 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.444 -0.054 -1.299 1.00 0.00 N ATOM 0 H ASN A 60 -20.792 2.354 -0.789 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.408 2.308 1.633 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.576 0.252 0.341 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.532 -0.035 1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.203 -0.329 -1.922 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.501 0.068 -1.667 1.00 0.00 H new ATOM 779 N GLY A 61 -19.306 3.017 1.669 1.00 0.00 N ATOM 780 CA GLY A 61 -18.165 3.344 2.503 1.00 0.00 C ATOM 781 C GLY A 61 -17.172 2.204 2.571 1.00 0.00 C ATOM 782 O GLY A 61 -16.541 1.978 3.605 1.00 0.00 O ATOM 0 H GLY A 61 -19.250 3.366 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.671 4.233 2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.508 3.588 3.509 1.00 0.00 H new ATOM 786 N SER A 62 -17.043 1.479 1.470 1.00 0.00 N ATOM 787 CA SER A 62 -16.128 0.351 1.397 1.00 0.00 C ATOM 788 C SER A 62 -15.224 0.475 0.172 1.00 0.00 C ATOM 789 O SER A 62 -15.587 1.121 -0.814 1.00 0.00 O ATOM 790 CB SER A 62 -16.927 -0.956 1.351 1.00 0.00 C ATOM 791 OG SER A 62 -18.286 -0.714 1.004 1.00 0.00 O ATOM 0 H SER A 62 -17.564 1.654 0.611 1.00 0.00 H new ATOM 0 HA SER A 62 -15.494 0.346 2.284 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.479 -1.635 0.625 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.879 -1.450 2.322 1.00 0.00 H new ATOM 0 HG SER A 62 -18.325 -0.081 0.257 1.00 0.00 H new ATOM 797 N ALA A 63 -14.045 -0.126 0.247 1.00 0.00 N ATOM 798 CA ALA A 63 -13.091 -0.091 -0.849 1.00 0.00 C ATOM 799 C ALA A 63 -12.302 -1.393 -0.915 1.00 0.00 C ATOM 800 O ALA A 63 -11.740 -1.834 0.086 1.00 0.00 O ATOM 801 CB ALA A 63 -12.148 1.092 -0.688 1.00 0.00 C ATOM 0 H ALA A 63 -13.726 -0.648 1.063 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.641 0.024 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.438 1.107 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.723 2.018 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.606 1.000 0.253 1.00 0.00 H new ATOM 807 N SER A 64 -12.279 -2.013 -2.084 1.00 0.00 N ATOM 808 CA SER A 64 -11.557 -3.259 -2.279 1.00 0.00 C ATOM 809 C SER A 64 -10.649 -3.145 -3.497 1.00 0.00 C ATOM 810 O SER A 64 -11.089 -2.735 -4.569 1.00 0.00 O ATOM 811 CB SER A 64 -12.544 -4.418 -2.455 1.00 0.00 C ATOM 812 OG SER A 64 -11.887 -5.675 -2.397 1.00 0.00 O ATOM 0 H SER A 64 -12.756 -1.670 -2.918 1.00 0.00 H new ATOM 0 HA SER A 64 -10.943 -3.457 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.307 -4.369 -1.678 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.057 -4.318 -3.412 1.00 0.00 H new ATOM 0 HG SER A 64 -12.544 -6.393 -2.511 1.00 0.00 H new ATOM 818 N THR A 65 -9.384 -3.494 -3.330 1.00 0.00 N ATOM 819 CA THR A 65 -8.433 -3.422 -4.424 1.00 0.00 C ATOM 820 C THR A 65 -7.382 -4.527 -4.304 1.00 0.00 C ATOM 821 O THR A 65 -7.224 -5.136 -3.244 1.00 0.00 O ATOM 822 CB THR A 65 -7.754 -2.033 -4.479 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.254 -1.780 -5.801 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.622 -1.919 -3.466 1.00 0.00 C ATOM 0 H THR A 65 -8.994 -3.829 -2.449 1.00 0.00 H new ATOM 0 HA THR A 65 -8.982 -3.569 -5.354 1.00 0.00 H new ATOM 0 HB THR A 65 -8.507 -1.287 -4.225 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.420 -0.844 -6.040 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.170 -0.930 -3.535 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.017 -2.068 -2.461 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.868 -2.678 -3.676 1.00 0.00 H new ATOM 832 N SER A 66 -6.687 -4.790 -5.401 1.00 0.00 N ATOM 833 CA SER A 66 -5.654 -5.810 -5.439 1.00 0.00 C ATOM 834 C SER A 66 -4.335 -5.215 -5.930 1.00 0.00 C ATOM 835 O SER A 66 -4.280 -4.582 -6.987 1.00 0.00 O ATOM 836 CB SER A 66 -6.094 -6.962 -6.342 1.00 0.00 C ATOM 837 OG SER A 66 -7.393 -7.417 -5.985 1.00 0.00 O ATOM 0 H SER A 66 -6.824 -4.303 -6.287 1.00 0.00 H new ATOM 0 HA SER A 66 -5.499 -6.195 -4.431 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.091 -6.636 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.382 -7.784 -6.264 1.00 0.00 H new ATOM 0 HG SER A 66 -7.656 -8.153 -6.576 1.00 0.00 H new ATOM 843 N LEU A 67 -3.282 -5.399 -5.147 1.00 0.00 N ATOM 844 CA LEU A 67 -1.970 -4.868 -5.494 1.00 0.00 C ATOM 845 C LEU A 67 -1.012 -5.990 -5.859 1.00 0.00 C ATOM 846 O LEU A 67 -0.959 -7.016 -5.182 1.00 0.00 O ATOM 847 CB LEU A 67 -1.381 -4.059 -4.327 1.00 0.00 C ATOM 848 CG LEU A 67 -2.224 -2.883 -3.813 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.849 -2.102 -4.959 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.295 -3.368 -2.849 1.00 0.00 C ATOM 0 H LEU A 67 -3.310 -5.912 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.099 -4.212 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.203 -4.740 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.410 -3.673 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.556 -2.209 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.438 -1.277 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.062 -1.707 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.495 -2.761 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.880 -2.518 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.951 -4.074 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.823 -3.860 -1.999 1.00 0.00 H new ATOM 862 N THR A 68 -0.261 -5.797 -6.928 1.00 0.00 N ATOM 863 CA THR A 68 0.701 -6.792 -7.363 1.00 0.00 C ATOM 864 C THR A 68 2.045 -6.572 -6.675 1.00 0.00 C ATOM 865 O THR A 68 2.757 -5.615 -6.986 1.00 0.00 O ATOM 866 CB THR A 68 0.898 -6.749 -8.891 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.181 -6.026 -9.506 1.00 0.00 O ATOM 868 CG2 THR A 68 0.959 -8.157 -9.466 1.00 0.00 C ATOM 0 H THR A 68 -0.299 -4.961 -7.511 1.00 0.00 H new ATOM 0 HA THR A 68 0.307 -7.770 -7.089 1.00 0.00 H new ATOM 0 HB THR A 68 1.841 -6.243 -9.100 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.154 -5.543 -10.290 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.098 -8.103 -10.546 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.794 -8.697 -9.019 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.029 -8.681 -9.246 1.00 0.00 H new ATOM 876 N VAL A 69 2.381 -7.441 -5.732 1.00 0.00 N ATOM 877 CA VAL A 69 3.642 -7.322 -5.012 1.00 0.00 C ATOM 878 C VAL A 69 4.824 -7.709 -5.902 1.00 0.00 C ATOM 879 O VAL A 69 4.911 -8.834 -6.397 1.00 0.00 O ATOM 880 CB VAL A 69 3.641 -8.167 -3.714 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.274 -9.618 -3.983 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.982 -8.074 -3.004 1.00 0.00 C ATOM 0 H VAL A 69 1.802 -8.232 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 69 3.753 -6.275 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 69 2.875 -7.752 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.285 -10.176 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.278 -9.666 -4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.996 -10.054 -4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.955 -8.676 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.768 -8.444 -3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.185 -7.035 -2.745 1.00 0.00 H new ATOM 892 N ARG A 70 5.711 -6.752 -6.131 1.00 0.00 N ATOM 893 CA ARG A 70 6.889 -6.974 -6.954 1.00 0.00 C ATOM 894 C ARG A 70 8.102 -7.213 -6.069 1.00 0.00 C ATOM 895 O ARG A 70 8.069 -6.917 -4.874 1.00 0.00 O ATOM 896 CB ARG A 70 7.138 -5.770 -7.868 1.00 0.00 C ATOM 897 CG ARG A 70 5.990 -5.475 -8.824 1.00 0.00 C ATOM 898 CD ARG A 70 5.595 -6.711 -9.613 1.00 0.00 C ATOM 899 NE ARG A 70 4.564 -6.430 -10.603 1.00 0.00 N ATOM 900 CZ ARG A 70 4.210 -7.281 -11.566 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.815 -8.458 -11.672 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.260 -6.945 -12.423 1.00 0.00 N ATOM 0 H ARG A 70 5.635 -5.807 -5.755 1.00 0.00 H new ATOM 0 HA ARG A 70 6.720 -7.854 -7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.320 -4.890 -7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.044 -5.947 -8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.131 -5.110 -8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.282 -4.681 -9.511 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.475 -7.116 -10.113 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.237 -7.478 -8.927 1.00 0.00 H new ATOM 0 HE ARG A 70 4.085 -5.530 -10.557 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.553 -8.713 -11.016 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.542 -9.107 -12.410 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.801 -6.037 -12.346 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.986 -7.594 -13.161 1.00 0.00 H new ATOM 916 N ARG A 71 9.163 -7.742 -6.656 1.00 0.00 N ATOM 917 CA ARG A 71 10.384 -8.020 -5.920 1.00 0.00 C ATOM 918 C ARG A 71 11.141 -6.731 -5.627 1.00 0.00 C ATOM 919 O ARG A 71 11.619 -6.516 -4.515 1.00 0.00 O ATOM 920 CB ARG A 71 11.259 -8.987 -6.716 1.00 0.00 C ATOM 921 CG ARG A 71 12.467 -9.495 -5.948 1.00 0.00 C ATOM 922 CD ARG A 71 12.058 -10.344 -4.756 1.00 0.00 C ATOM 923 NE ARG A 71 11.320 -11.544 -5.152 1.00 0.00 N ATOM 924 CZ ARG A 71 11.225 -12.642 -4.401 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.807 -12.691 -3.208 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.531 -13.683 -4.842 1.00 0.00 N ATOM 0 H ARG A 71 9.202 -7.988 -7.645 1.00 0.00 H new ATOM 0 HA ARG A 71 10.123 -8.481 -4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.653 -9.838 -7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.600 -8.490 -7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.101 -10.082 -6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.063 -8.649 -5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.948 -10.636 -4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.442 -9.748 -4.083 1.00 0.00 H new ATOM 0 HE ARG A 71 10.850 -11.540 -6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.330 -11.886 -2.862 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.731 -13.533 -2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.073 -13.642 -5.752 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.456 -14.525 -4.271 1.00 0.00 H new ATOM 940 N SER A 72 11.252 -5.882 -6.631 1.00 0.00 N ATOM 941 CA SER A 72 11.936 -4.613 -6.489 1.00 0.00 C ATOM 942 C SER A 72 11.044 -3.495 -7.030 1.00 0.00 C ATOM 943 O SER A 72 10.674 -3.499 -8.206 1.00 0.00 O ATOM 944 CB SER A 72 13.280 -4.656 -7.227 1.00 0.00 C ATOM 945 OG SER A 72 13.919 -5.926 -7.071 1.00 0.00 O ATOM 0 H SER A 72 10.873 -6.052 -7.562 1.00 0.00 H new ATOM 0 HA SER A 72 12.138 -4.418 -5.436 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.122 -4.454 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.932 -3.870 -6.846 1.00 0.00 H new ATOM 0 HG SER A 72 14.543 -5.888 -6.317 1.00 0.00 H new ATOM 951 N PHE A 73 10.681 -2.551 -6.174 1.00 0.00 N ATOM 952 CA PHE A 73 9.808 -1.465 -6.587 1.00 0.00 C ATOM 953 C PHE A 73 10.450 -0.110 -6.350 1.00 0.00 C ATOM 954 O PHE A 73 11.415 0.013 -5.596 1.00 0.00 O ATOM 955 CB PHE A 73 8.474 -1.551 -5.841 1.00 0.00 C ATOM 956 CG PHE A 73 8.570 -1.283 -4.360 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.927 -2.293 -3.482 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.293 -0.024 -3.850 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.005 -2.052 -2.124 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.373 0.221 -2.494 1.00 0.00 C ATOM 961 CZ PHE A 73 8.729 -0.795 -1.630 1.00 0.00 C ATOM 0 H PHE A 73 10.975 -2.515 -5.198 1.00 0.00 H new ATOM 0 HA PHE A 73 9.632 -1.568 -7.658 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.778 -0.838 -6.283 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.051 -2.544 -5.991 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.147 -3.279 -3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.011 0.774 -4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.282 -2.848 -1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.157 1.207 -2.109 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.791 -0.605 -0.569 1.00 0.00 H new ATOM 971 N GLU A 74 9.915 0.900 -7.006 1.00 0.00 N ATOM 972 CA GLU A 74 10.410 2.257 -6.860 1.00 0.00 C ATOM 973 C GLU A 74 9.711 2.916 -5.683 1.00 0.00 C ATOM 974 O GLU A 74 8.491 2.826 -5.554 1.00 0.00 O ATOM 975 CB GLU A 74 10.170 3.079 -8.132 1.00 0.00 C ATOM 976 CG GLU A 74 9.872 2.245 -9.364 1.00 0.00 C ATOM 977 CD GLU A 74 8.422 1.821 -9.440 1.00 0.00 C ATOM 978 OE1 GLU A 74 7.598 2.612 -9.939 1.00 0.00 O ATOM 979 OE2 GLU A 74 8.110 0.690 -9.005 1.00 0.00 O ATOM 0 H GLU A 74 9.131 0.806 -7.651 1.00 0.00 H new ATOM 0 HA GLU A 74 11.485 2.218 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.338 3.761 -7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.050 3.692 -8.326 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.127 2.817 -10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.507 1.359 -9.361 1.00 0.00 H new ATOM 986 N GLY A 75 10.479 3.568 -4.829 1.00 0.00 N ATOM 987 CA GLY A 75 9.909 4.219 -3.671 1.00 0.00 C ATOM 988 C GLY A 75 9.454 5.634 -3.947 1.00 0.00 C ATOM 989 O GLY A 75 10.224 6.454 -4.457 1.00 0.00 O ATOM 0 H GLY A 75 11.491 3.659 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.061 3.635 -3.314 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.647 4.231 -2.869 1.00 0.00 H new ATOM 993 N PHE A 76 8.206 5.925 -3.596 1.00 0.00 N ATOM 994 CA PHE A 76 7.640 7.245 -3.801 1.00 0.00 C ATOM 995 C PHE A 76 6.927 7.709 -2.541 1.00 0.00 C ATOM 996 O PHE A 76 6.323 6.900 -1.836 1.00 0.00 O ATOM 997 CB PHE A 76 6.662 7.230 -4.976 1.00 0.00 C ATOM 998 CG PHE A 76 7.210 7.842 -6.230 1.00 0.00 C ATOM 999 CD1 PHE A 76 7.942 7.079 -7.123 1.00 0.00 C ATOM 1000 CD2 PHE A 76 6.989 9.176 -6.519 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.443 7.638 -8.281 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.487 9.740 -7.675 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.214 8.969 -8.557 1.00 0.00 C ATOM 0 H PHE A 76 7.567 5.257 -3.166 1.00 0.00 H new ATOM 0 HA PHE A 76 8.450 7.938 -4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.373 6.199 -5.182 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.756 7.764 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.123 6.035 -6.911 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.420 9.784 -5.831 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.014 7.033 -8.970 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.308 10.783 -7.889 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.604 9.408 -9.464 1.00 0.00 H new ATOM 1013 N LEU A 77 7.015 9.000 -2.255 1.00 0.00 N ATOM 1014 CA LEU A 77 6.366 9.568 -1.084 1.00 0.00 C ATOM 1015 C LEU A 77 4.968 10.045 -1.455 1.00 0.00 C ATOM 1016 O LEU A 77 4.647 10.180 -2.636 1.00 0.00 O ATOM 1017 CB LEU A 77 7.177 10.739 -0.513 1.00 0.00 C ATOM 1018 CG LEU A 77 8.682 10.501 -0.372 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.361 11.737 0.194 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.964 9.290 0.502 1.00 0.00 C ATOM 0 H LEU A 77 7.531 9.675 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 77 6.302 8.794 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.024 11.608 -1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.775 10.991 0.468 1.00 0.00 H new ATOM 0 HG LEU A 77 9.089 10.302 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.431 11.553 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.196 12.581 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.944 11.964 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.041 9.144 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.542 9.451 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.511 8.405 0.055 1.00 0.00 H new ATOM 1032 N PHE A 78 4.145 10.320 -0.448 1.00 0.00 N ATOM 1033 CA PHE A 78 2.780 10.779 -0.680 1.00 0.00 C ATOM 1034 C PHE A 78 2.763 12.226 -1.159 1.00 0.00 C ATOM 1035 O PHE A 78 1.852 12.643 -1.874 1.00 0.00 O ATOM 1036 CB PHE A 78 1.950 10.635 0.597 1.00 0.00 C ATOM 1037 CG PHE A 78 1.241 9.313 0.707 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.842 8.145 0.268 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.034 9.244 1.241 1.00 0.00 C ATOM 1040 CE1 PHE A 78 1.184 6.932 0.361 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -0.696 8.035 1.337 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.086 6.879 0.896 1.00 0.00 C ATOM 0 H PHE A 78 4.399 10.233 0.536 1.00 0.00 H new ATOM 0 HA PHE A 78 2.341 10.158 -1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.603 10.761 1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.213 11.437 0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.836 8.182 -0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.517 10.146 1.587 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.664 6.028 0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.690 7.995 1.757 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.602 5.933 0.970 1.00 0.00 H new ATOM 1052 N ASP A 79 3.777 12.986 -0.769 1.00 0.00 N ATOM 1053 CA ASP A 79 3.884 14.386 -1.170 1.00 0.00 C ATOM 1054 C ASP A 79 4.150 14.496 -2.671 1.00 0.00 C ATOM 1055 O ASP A 79 3.715 15.450 -3.318 1.00 0.00 O ATOM 1056 CB ASP A 79 4.989 15.091 -0.368 1.00 0.00 C ATOM 1057 CG ASP A 79 6.129 15.599 -1.234 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.068 16.756 -1.704 1.00 0.00 O ATOM 1059 OD2 ASP A 79 7.101 14.846 -1.439 1.00 0.00 O ATOM 0 H ASP A 79 4.539 12.658 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 79 2.937 14.881 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.554 15.929 0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.387 14.400 0.375 1.00 0.00 H new ATOM 1064 N GLY A 80 4.854 13.512 -3.214 1.00 0.00 N ATOM 1065 CA GLY A 80 5.163 13.507 -4.629 1.00 0.00 C ATOM 1066 C GLY A 80 6.621 13.194 -4.903 1.00 0.00 C ATOM 1067 O GLY A 80 6.958 12.645 -5.954 1.00 0.00 O ATOM 0 H GLY A 80 5.218 12.713 -2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.536 12.771 -5.132 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.917 14.480 -5.055 1.00 0.00 H new ATOM 1071 N THR A 81 7.489 13.537 -3.959 1.00 0.00 N ATOM 1072 CA THR A 81 8.919 13.294 -4.109 1.00 0.00 C ATOM 1073 C THR A 81 9.232 11.796 -4.046 1.00 0.00 C ATOM 1074 O THR A 81 8.507 11.024 -3.420 1.00 0.00 O ATOM 1075 CB THR A 81 9.725 14.036 -3.019 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.214 15.368 -2.863 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.210 14.102 -3.364 1.00 0.00 C ATOM 0 H THR A 81 7.228 13.985 -3.081 1.00 0.00 H new ATOM 0 HA THR A 81 9.212 13.675 -5.087 1.00 0.00 H new ATOM 0 HB THR A 81 9.617 13.480 -2.088 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.509 15.370 -2.183 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.744 14.631 -2.574 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.607 13.091 -3.457 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.341 14.631 -4.308 1.00 0.00 H new ATOM 1085 N ARG A 82 10.294 11.392 -4.722 1.00 0.00 N ATOM 1086 CA ARG A 82 10.714 10.002 -4.739 1.00 0.00 C ATOM 1087 C ARG A 82 11.927 9.807 -3.842 1.00 0.00 C ATOM 1088 O ARG A 82 12.581 10.775 -3.454 1.00 0.00 O ATOM 1089 CB ARG A 82 11.048 9.573 -6.169 1.00 0.00 C ATOM 1090 CG ARG A 82 12.308 10.222 -6.729 1.00 0.00 C ATOM 1091 CD ARG A 82 12.250 10.338 -8.244 1.00 0.00 C ATOM 1092 NE ARG A 82 12.127 9.031 -8.891 1.00 0.00 N ATOM 1093 CZ ARG A 82 11.373 8.800 -9.966 1.00 0.00 C ATOM 1094 NH1 ARG A 82 10.683 9.783 -10.533 1.00 0.00 N ATOM 1095 NH2 ARG A 82 11.308 7.580 -10.476 1.00 0.00 N ATOM 0 H ARG A 82 10.886 12.015 -5.272 1.00 0.00 H new ATOM 0 HA ARG A 82 9.897 9.385 -4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.167 8.490 -6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.206 9.817 -6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.433 11.213 -6.292 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.180 9.634 -6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.404 10.964 -8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.150 10.837 -8.604 1.00 0.00 H new ATOM 0 HE ARG A 82 12.650 8.250 -8.496 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.727 10.726 -10.146 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.109 9.595 -11.355 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.834 6.819 -10.047 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.732 7.401 -11.298 1.00 0.00 H new ATOM 1109 N TRP A 83 12.227 8.562 -3.510 1.00 0.00 N ATOM 1110 CA TRP A 83 13.373 8.259 -2.664 1.00 0.00 C ATOM 1111 C TRP A 83 14.399 7.445 -3.445 1.00 0.00 C ATOM 1112 O TRP A 83 15.585 7.768 -3.455 1.00 0.00 O ATOM 1113 CB TRP A 83 12.929 7.496 -1.416 1.00 0.00 C ATOM 1114 CG TRP A 83 13.745 7.817 -0.194 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.812 7.112 0.295 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.558 8.926 0.698 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.294 7.715 1.434 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.543 8.829 1.701 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.654 9.993 0.747 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.647 9.755 2.736 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.760 10.910 1.775 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.751 10.786 2.756 1.00 0.00 C ATOM 0 H TRP A 83 11.695 7.746 -3.812 1.00 0.00 H new ATOM 0 HA TRP A 83 13.833 9.196 -2.350 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.882 7.723 -1.214 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.990 6.426 -1.613 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.216 6.214 -0.148 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.083 7.386 1.990 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.887 10.098 -0.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.409 9.661 3.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.067 11.737 1.823 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.808 11.521 3.545 1.00 0.00 H new ATOM 1133 N GLY A 84 13.927 6.397 -4.112 1.00 0.00 N ATOM 1134 CA GLY A 84 14.811 5.547 -4.888 1.00 0.00 C ATOM 1135 C GLY A 84 14.179 4.212 -5.221 1.00 0.00 C ATOM 1136 O GLY A 84 12.999 4.148 -5.576 1.00 0.00 O ATOM 0 H GLY A 84 12.945 6.121 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.084 6.058 -5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.733 5.381 -4.331 1.00 0.00 H new ATOM 1140 N THR A 85 14.956 3.149 -5.096 1.00 0.00 N ATOM 1141 CA THR A 85 14.478 1.806 -5.388 1.00 0.00 C ATOM 1142 C THR A 85 14.551 0.925 -4.146 1.00 0.00 C ATOM 1143 O THR A 85 15.544 0.940 -3.420 1.00 0.00 O ATOM 1144 CB THR A 85 15.306 1.157 -6.515 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.491 2.091 -7.588 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.623 -0.099 -7.047 1.00 0.00 C ATOM 0 H THR A 85 15.929 3.190 -4.792 1.00 0.00 H new ATOM 0 HA THR A 85 13.441 1.892 -5.711 1.00 0.00 H new ATOM 0 HB THR A 85 16.274 0.876 -6.101 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.019 1.672 -8.299 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.230 -0.535 -7.841 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.509 -0.821 -6.239 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.641 0.161 -7.442 1.00 0.00 H new ATOM 1154 N VAL A 86 13.493 0.175 -3.895 1.00 0.00 N ATOM 1155 CA VAL A 86 13.448 -0.713 -2.747 1.00 0.00 C ATOM 1156 C VAL A 86 13.400 -2.165 -3.202 1.00 0.00 C ATOM 1157 O VAL A 86 12.421 -2.609 -3.807 1.00 0.00 O ATOM 1158 CB VAL A 86 12.234 -0.426 -1.838 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.322 -1.236 -0.551 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.130 1.057 -1.524 1.00 0.00 C ATOM 0 H VAL A 86 12.652 0.163 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 86 14.355 -0.533 -2.170 1.00 0.00 H new ATOM 0 HB VAL A 86 11.334 -0.726 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.457 -1.019 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.339 -2.299 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.233 -0.970 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.267 1.233 -0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.035 1.385 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.013 1.618 -2.451 1.00 0.00 H new ATOM 1170 N ASP A 87 14.473 -2.894 -2.934 1.00 0.00 N ATOM 1171 CA ASP A 87 14.559 -4.296 -3.309 1.00 0.00 C ATOM 1172 C ASP A 87 14.185 -5.188 -2.132 1.00 0.00 C ATOM 1173 O ASP A 87 14.884 -5.222 -1.120 1.00 0.00 O ATOM 1174 CB ASP A 87 15.970 -4.634 -3.797 1.00 0.00 C ATOM 1175 CG ASP A 87 16.143 -6.111 -4.083 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.767 -6.557 -5.183 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.651 -6.836 -3.205 1.00 0.00 O ATOM 0 H ASP A 87 15.299 -2.535 -2.456 1.00 0.00 H new ATOM 0 HA ASP A 87 13.855 -4.476 -4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.185 -4.064 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.696 -4.325 -3.045 1.00 0.00 H new ATOM 1182 N CYS A 88 13.084 -5.911 -2.266 1.00 0.00 N ATOM 1183 CA CYS A 88 12.621 -6.793 -1.208 1.00 0.00 C ATOM 1184 C CYS A 88 13.094 -8.227 -1.439 1.00 0.00 C ATOM 1185 O CYS A 88 12.433 -9.184 -1.037 1.00 0.00 O ATOM 1186 CB CYS A 88 11.093 -6.742 -1.100 1.00 0.00 C ATOM 1187 SG CYS A 88 10.449 -5.132 -0.526 1.00 0.00 S ATOM 0 H CYS A 88 12.494 -5.904 -3.098 1.00 0.00 H new ATOM 0 HA CYS A 88 13.050 -6.446 -0.268 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.661 -6.969 -2.075 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.760 -7.521 -0.415 1.00 0.00 H new ATOM 1192 N THR A 89 14.236 -8.376 -2.102 1.00 0.00 N ATOM 1193 CA THR A 89 14.793 -9.694 -2.345 1.00 0.00 C ATOM 1194 C THR A 89 15.487 -10.185 -1.084 1.00 0.00 C ATOM 1195 O THR A 89 15.203 -11.271 -0.581 1.00 0.00 O ATOM 1196 CB THR A 89 15.787 -9.683 -3.525 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.173 -9.077 -4.665 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.233 -11.091 -3.886 1.00 0.00 C ATOM 0 H THR A 89 14.788 -7.604 -2.477 1.00 0.00 H new ATOM 0 HA THR A 89 13.978 -10.368 -2.609 1.00 0.00 H new ATOM 0 HB THR A 89 16.664 -9.111 -3.222 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.732 -8.337 -4.983 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.933 -11.048 -4.721 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.721 -11.550 -3.026 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.365 -11.686 -4.170 1.00 0.00 H new ATOM 1206 N THR A 90 16.375 -9.354 -0.561 1.00 0.00 N ATOM 1207 CA THR A 90 17.101 -9.683 0.649 1.00 0.00 C ATOM 1208 C THR A 90 16.494 -8.944 1.844 1.00 0.00 C ATOM 1209 O THR A 90 16.838 -9.212 2.992 1.00 0.00 O ATOM 1210 CB THR A 90 18.606 -9.344 0.515 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.355 -9.983 1.560 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.842 -7.840 0.558 1.00 0.00 C ATOM 0 H THR A 90 16.609 -8.445 -0.959 1.00 0.00 H new ATOM 0 HA THR A 90 17.015 -10.757 0.812 1.00 0.00 H new ATOM 0 HB THR A 90 18.945 -9.715 -0.452 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.788 -10.085 2.353 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.908 -7.636 0.461 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.306 -7.364 -0.263 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.481 -7.442 1.506 1.00 0.00 H new ATOM 1220 N ALA A 91 15.583 -8.018 1.561 1.00 0.00 N ATOM 1221 CA ALA A 91 14.923 -7.247 2.606 1.00 0.00 C ATOM 1222 C ALA A 91 13.475 -7.703 2.763 1.00 0.00 C ATOM 1223 O ALA A 91 13.034 -8.626 2.076 1.00 0.00 O ATOM 1224 CB ALA A 91 14.981 -5.762 2.280 1.00 0.00 C ATOM 0 H ALA A 91 15.285 -7.784 0.614 1.00 0.00 H new ATOM 0 HA ALA A 91 15.444 -7.415 3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.484 -5.197 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 91 16.022 -5.446 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.479 -5.578 1.330 1.00 0.00 H new ATOM 1230 N ALA A 92 12.738 -7.052 3.651 1.00 0.00 N ATOM 1231 CA ALA A 92 11.346 -7.406 3.883 1.00 0.00 C ATOM 1232 C ALA A 92 10.403 -6.373 3.281 1.00 0.00 C ATOM 1233 O ALA A 92 10.647 -5.168 3.359 1.00 0.00 O ATOM 1234 CB ALA A 92 11.077 -7.560 5.369 1.00 0.00 C ATOM 0 H ALA A 92 13.080 -6.278 4.221 1.00 0.00 H new ATOM 0 HA ALA A 92 11.160 -8.360 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 92 10.031 -7.825 5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.714 -8.346 5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.292 -6.620 5.877 1.00 0.00 H new ATOM 1240 N CYS A 93 9.319 -6.858 2.699 1.00 0.00 N ATOM 1241 CA CYS A 93 8.321 -5.998 2.078 1.00 0.00 C ATOM 1242 C CYS A 93 7.057 -5.977 2.927 1.00 0.00 C ATOM 1243 O CYS A 93 6.868 -6.836 3.789 1.00 0.00 O ATOM 1244 CB CYS A 93 8.000 -6.498 0.665 1.00 0.00 C ATOM 1245 SG CYS A 93 8.430 -5.324 -0.662 1.00 0.00 S ATOM 0 H CYS A 93 9.105 -7.854 2.643 1.00 0.00 H new ATOM 0 HA CYS A 93 8.718 -4.985 2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 93 8.533 -7.433 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.935 -6.722 0.605 1.00 0.00 H new ATOM 1250 N GLN A 94 6.194 -5.002 2.693 1.00 0.00 N ATOM 1251 CA GLN A 94 4.951 -4.888 3.441 1.00 0.00 C ATOM 1252 C GLN A 94 3.901 -4.166 2.614 1.00 0.00 C ATOM 1253 O GLN A 94 4.200 -3.641 1.546 1.00 0.00 O ATOM 1254 CB GLN A 94 5.178 -4.158 4.767 1.00 0.00 C ATOM 1255 CG GLN A 94 5.742 -2.757 4.625 1.00 0.00 C ATOM 1256 CD GLN A 94 5.498 -1.918 5.859 1.00 0.00 C ATOM 1257 OE1 GLN A 94 6.286 -1.946 6.804 1.00 0.00 O ATOM 1258 NE2 GLN A 94 4.406 -1.172 5.861 1.00 0.00 N ATOM 0 H GLN A 94 6.331 -4.276 1.990 1.00 0.00 H new ATOM 0 HA GLN A 94 4.593 -5.893 3.662 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.231 -4.102 5.303 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.857 -4.749 5.381 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.813 -2.816 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.290 -2.270 3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.781 -1.180 5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.189 -0.588 6.669 1.00 0.00 H new ATOM 1267 N VAL A 95 2.674 -4.157 3.109 1.00 0.00 N ATOM 1268 CA VAL A 95 1.572 -3.499 2.428 1.00 0.00 C ATOM 1269 C VAL A 95 1.248 -2.175 3.103 1.00 0.00 C ATOM 1270 O VAL A 95 1.005 -2.129 4.311 1.00 0.00 O ATOM 1271 CB VAL A 95 0.307 -4.386 2.417 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.761 -3.796 1.508 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.647 -5.806 1.987 1.00 0.00 C ATOM 0 H VAL A 95 2.415 -4.603 3.989 1.00 0.00 H new ATOM 0 HA VAL A 95 1.883 -3.321 1.399 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.089 -4.420 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.642 -4.438 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.033 -2.802 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.374 -3.724 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.259 -6.413 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.074 -5.790 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.370 -6.233 2.682 1.00 0.00 H new ATOM 1283 N GLY A 96 1.259 -1.103 2.328 1.00 0.00 N ATOM 1284 CA GLY A 96 0.958 0.200 2.866 1.00 0.00 C ATOM 1285 C GLY A 96 -0.351 0.738 2.332 1.00 0.00 C ATOM 1286 O GLY A 96 -0.613 0.668 1.129 1.00 0.00 O ATOM 0 H GLY A 96 1.473 -1.115 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.911 0.143 3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.764 0.891 2.618 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.173 1.272 3.222 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.469 1.807 2.838 1.00 0.00 C ATOM 1292 C LEU A 97 -2.810 3.058 3.638 1.00 0.00 C ATOM 1293 O LEU A 97 -2.724 3.069 4.868 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.558 0.741 3.025 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.208 -0.394 3.993 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.586 -0.024 5.418 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.898 -1.682 3.576 1.00 0.00 C ATOM 0 H LEU A 97 -0.964 1.346 4.218 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.421 2.086 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.465 1.231 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.789 0.307 2.052 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.130 -0.552 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.328 -0.845 6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.043 0.873 5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.658 0.166 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.638 -2.477 4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.978 -1.534 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.574 -1.960 2.573 1.00 0.00 H new ATOM 1309 N SER A 98 -3.171 4.115 2.931 1.00 0.00 N ATOM 1310 CA SER A 98 -3.542 5.375 3.560 1.00 0.00 C ATOM 1311 C SER A 98 -4.422 6.182 2.618 1.00 0.00 C ATOM 1312 O SER A 98 -4.529 5.861 1.440 1.00 0.00 O ATOM 1313 CB SER A 98 -2.296 6.181 3.943 1.00 0.00 C ATOM 1314 OG SER A 98 -1.650 5.610 5.069 1.00 0.00 O ATOM 0 H SER A 98 -3.216 4.127 1.912 1.00 0.00 H new ATOM 0 HA SER A 98 -4.098 5.157 4.472 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.606 6.213 3.100 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.578 7.211 4.164 1.00 0.00 H new ATOM 0 HG SER A 98 -1.934 4.678 5.171 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.064 7.211 3.141 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.932 8.054 2.335 1.00 0.00 C ATOM 1322 C ASP A 99 -5.120 9.110 1.589 1.00 0.00 C ATOM 1323 O ASP A 99 -3.890 9.051 1.558 1.00 0.00 O ATOM 1324 CB ASP A 99 -6.985 8.724 3.219 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.458 9.954 3.926 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.532 9.826 4.754 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -6.967 11.055 3.646 1.00 0.00 O ATOM 0 H ASP A 99 -5.001 7.484 4.122 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.435 7.426 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.843 9.002 2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.340 8.008 3.960 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.817 10.068 0.983 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.170 11.145 0.242 1.00 0.00 C ATOM 1334 C ALA A 100 -4.309 12.015 1.159 1.00 0.00 C ATOM 1335 O ALA A 100 -3.264 12.526 0.746 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.218 11.988 -0.468 1.00 0.00 C ATOM 0 H ALA A 100 -6.836 10.119 0.992 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.509 10.699 -0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.727 12.790 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.780 11.362 -1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.899 12.417 0.267 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.750 12.181 2.402 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.011 12.973 3.374 1.00 0.00 C ATOM 1344 C ALA A 101 -2.752 12.231 3.808 1.00 0.00 C ATOM 1345 O ALA A 101 -1.671 12.815 3.911 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.887 13.292 4.577 1.00 0.00 C ATOM 0 H ALA A 101 -5.616 11.777 2.758 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.716 13.913 2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.319 13.885 5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.761 13.856 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.210 12.364 5.049 1.00 0.00 H new ATOM 1352 N GLY A 102 -2.898 10.940 4.051 1.00 0.00 N ATOM 1353 CA GLY A 102 -1.766 10.136 4.458 1.00 0.00 C ATOM 1354 C GLY A 102 -1.997 9.426 5.775 1.00 0.00 C ATOM 1355 O GLY A 102 -1.052 9.185 6.527 1.00 0.00 O ATOM 0 H GLY A 102 -3.780 10.433 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.553 9.398 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.885 10.772 4.543 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.248 9.101 6.065 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.582 8.411 7.303 1.00 0.00 C ATOM 1361 C ASN A 103 -4.571 7.282 7.045 1.00 0.00 C ATOM 1362 O ASN A 103 -5.114 7.157 5.944 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.155 9.395 8.322 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.155 9.738 9.407 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -2.425 8.871 9.887 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.101 11.002 9.788 1.00 0.00 N ATOM 0 H ASN A 103 -4.046 9.303 5.463 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.668 7.978 7.709 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.462 10.308 7.811 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.049 8.967 8.776 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.436 11.290 10.506 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.724 11.689 9.364 1.00 0.00 H new ATOM 1373 N GLY A 104 -4.797 6.456 8.055 1.00 0.00 N ATOM 1374 CA GLY A 104 -5.711 5.347 7.918 1.00 0.00 C ATOM 1375 C GLY A 104 -5.246 4.150 8.715 1.00 0.00 C ATOM 1376 O GLY A 104 -4.516 4.316 9.696 1.00 0.00 O ATOM 0 H GLY A 104 -4.359 6.537 8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.703 5.647 8.254 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.800 5.074 6.866 1.00 0.00 H new ATOM 1380 N PRO A 105 -5.647 2.933 8.320 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.250 1.703 9.013 1.00 0.00 C ATOM 1382 C PRO A 105 -3.743 1.482 8.947 1.00 0.00 C ATOM 1383 O PRO A 105 -3.059 2.051 8.093 1.00 0.00 O ATOM 1384 CB PRO A 105 -5.988 0.593 8.251 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.051 1.288 7.468 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.511 2.655 7.163 1.00 0.00 C ATOM 0 HA PRO A 105 -5.499 1.734 10.074 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.309 0.049 7.595 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.419 -0.135 8.938 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.279 0.745 6.551 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.977 1.352 8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.951 2.669 6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.308 3.392 7.068 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.222 0.673 9.853 1.00 0.00 N ATOM 1395 CA GLU A 106 -1.796 0.399 9.881 1.00 0.00 C ATOM 1396 C GLU A 106 -1.403 -0.605 8.803 1.00 0.00 C ATOM 1397 O GLU A 106 -2.189 -1.484 8.435 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.375 -0.110 11.255 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.318 0.977 12.317 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.409 0.607 13.466 1.00 0.00 C ATOM 1401 OE1 GLU A 106 0.829 0.629 13.283 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.925 0.280 14.554 1.00 0.00 O ATOM 0 H GLU A 106 -3.762 0.197 10.576 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.275 1.334 9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.073 -0.883 11.576 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.394 -0.579 11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.970 1.906 11.865 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.322 1.164 12.697 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.181 -0.460 8.299 1.00 0.00 N ATOM 1410 CA GLY A 107 0.313 -1.347 7.267 1.00 0.00 C ATOM 1411 C GLY A 107 0.604 -2.742 7.786 1.00 0.00 C ATOM 1412 O GLY A 107 0.900 -2.928 8.972 1.00 0.00 O ATOM 0 H GLY A 107 0.478 0.262 8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.421 -1.408 6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.222 -0.927 6.837 1.00 0.00 H new ATOM 1416 N VAL A 108 0.519 -3.723 6.901 1.00 0.00 N ATOM 1417 CA VAL A 108 0.766 -5.113 7.264 1.00 0.00 C ATOM 1418 C VAL A 108 2.014 -5.630 6.565 1.00 0.00 C ATOM 1419 O VAL A 108 2.130 -5.540 5.344 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.430 -6.019 6.891 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.219 -7.432 7.416 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.732 -5.438 7.423 1.00 0.00 C ATOM 0 H VAL A 108 0.279 -3.582 5.920 1.00 0.00 H new ATOM 0 HA VAL A 108 0.905 -5.144 8.345 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.496 -6.065 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.072 -8.053 7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.689 -7.850 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.122 -7.406 8.501 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.561 -6.091 7.149 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.677 -5.357 8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.892 -4.449 6.993 1.00 0.00 H new ATOM 1432 N ALA A 109 2.949 -6.162 7.336 1.00 0.00 N ATOM 1433 CA ALA A 109 4.178 -6.688 6.768 1.00 0.00 C ATOM 1434 C ALA A 109 3.945 -8.068 6.174 1.00 0.00 C ATOM 1435 O ALA A 109 3.147 -8.853 6.689 1.00 0.00 O ATOM 1436 CB ALA A 109 5.282 -6.731 7.813 1.00 0.00 C ATOM 0 H ALA A 109 2.881 -6.240 8.351 1.00 0.00 H new ATOM 0 HA ALA A 109 4.496 -6.020 5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.192 -7.128 7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.470 -5.724 8.185 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.976 -7.372 8.640 1.00 0.00 H new ATOM 1442 N ILE A 110 4.632 -8.358 5.081 1.00 0.00 N ATOM 1443 CA ILE A 110 4.492 -9.643 4.416 1.00 0.00 C ATOM 1444 C ILE A 110 5.848 -10.316 4.284 1.00 0.00 C ATOM 1445 O ILE A 110 6.876 -9.722 4.604 1.00 0.00 O ATOM 1446 CB ILE A 110 3.836 -9.504 3.022 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.623 -8.521 2.150 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.389 -9.057 3.167 1.00 0.00 C ATOM 1449 CD1 ILE A 110 4.077 -8.369 0.747 1.00 0.00 C ATOM 0 H ILE A 110 5.292 -7.721 4.636 1.00 0.00 H new ATOM 0 HA ILE A 110 3.837 -10.259 5.032 1.00 0.00 H new ATOM 0 HB ILE A 110 3.851 -10.477 2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.628 -7.545 2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.660 -8.853 2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.937 -8.962 2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.837 -9.794 3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.355 -8.093 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.689 -7.657 0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.098 -9.335 0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.050 -8.006 0.793 1.00 0.00 H new ATOM 1461 N SER A 111 5.855 -11.558 3.834 1.00 0.00 N ATOM 1462 CA SER A 111 7.094 -12.294 3.667 1.00 0.00 C ATOM 1463 C SER A 111 6.958 -13.306 2.537 1.00 0.00 C ATOM 1464 O SER A 111 5.925 -13.965 2.410 1.00 0.00 O ATOM 1465 CB SER A 111 7.471 -13.003 4.972 1.00 0.00 C ATOM 1466 OG SER A 111 7.591 -12.073 6.038 1.00 0.00 O ATOM 0 H SER A 111 5.016 -12.078 3.578 1.00 0.00 H new ATOM 0 HA SER A 111 7.886 -11.590 3.412 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.714 -13.748 5.218 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.413 -13.536 4.842 1.00 0.00 H new ATOM 0 HG SER A 111 7.831 -12.548 6.861 1.00 0.00 H new ATOM 1472 N PHE A 112 7.991 -13.414 1.718 1.00 0.00 N ATOM 1473 CA PHE A 112 7.990 -14.349 0.607 1.00 0.00 C ATOM 1474 C PHE A 112 8.461 -15.712 1.094 1.00 0.00 C ATOM 1475 O PHE A 112 9.183 -15.800 2.086 1.00 0.00 O ATOM 1476 CB PHE A 112 8.898 -13.849 -0.521 1.00 0.00 C ATOM 1477 CG PHE A 112 8.582 -12.453 -0.989 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.401 -12.184 -1.661 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.472 -11.414 -0.762 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.113 -10.904 -2.098 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.187 -10.132 -1.195 1.00 0.00 C ATOM 1482 CZ PHE A 112 8.007 -9.877 -1.864 1.00 0.00 C ATOM 0 H PHE A 112 8.845 -12.862 1.803 1.00 0.00 H new ATOM 0 HA PHE A 112 6.976 -14.433 0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.933 -13.882 -0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.818 -14.532 -1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.698 -12.982 -1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.398 -11.608 -0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.189 -10.707 -2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.887 -9.331 -1.010 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.783 -8.877 -2.204 1.00 0.00 H new ATOM 1492 N ASN A 113 8.044 -16.771 0.417 1.00 0.00 N ATOM 1493 CA ASN A 113 8.450 -18.115 0.811 1.00 0.00 C ATOM 1494 C ASN A 113 9.801 -18.468 0.201 1.00 0.00 C ATOM 1495 O ASN A 113 10.491 -19.346 0.758 1.00 0.00 O ATOM 1496 CB ASN A 113 7.396 -19.161 0.418 1.00 0.00 C ATOM 1497 CG ASN A 113 7.156 -19.245 -1.078 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.032 -19.641 -1.848 1.00 0.00 O ATOM 1499 ND2 ASN A 113 5.950 -18.905 -1.492 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.173 -17.852 -0.822 1.00 0.00 O ATOM 0 H ASN A 113 7.432 -16.730 -0.398 1.00 0.00 H new ATOM 0 HA ASN A 113 8.541 -18.126 1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.712 -20.138 0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.456 -18.923 0.916 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.715 -18.965 -2.483 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.253 -18.582 -0.821 1.00 0.00 H new