USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 477 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 25 MET CE :methyl -139:sc= -0.333 (180deg=-0.941) USER MOD Set 1.2: A 37 SER OG : rot 180:sc= -0.0611 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0137 (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 19:sc= 0.383 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= 1.29 (180deg=1.17) USER MOD Single : A 26 THR OG1 : rot -75:sc= 1.02 USER MOD Single : A 36 ASN : amide:sc= -5.46! C(o=-5.5!,f=-4.8!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 106:sc= 1.18 USER MOD Single : A 53 HIS : no HD1:sc= -2.81! K(o=-2.8!,f=-1.5) USER MOD Single : A 54 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -1.75 K(o=-1.7,f=-0.92) USER MOD Single : A 60 GLN : amide:sc= -3.41! C(o=-3.4!,f=-8.6!) USER MOD Single : A 61 ASN : amide:sc= -2.68! C(o=-2.7!,f=-1.8!) USER MOD Single : A 64 SER OG : rot 31:sc= 0.874 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.869 -44.469 10.476 1.00 0.00 N ATOM 2 CA GLY A 1 -4.860 -43.226 11.226 1.00 0.00 C ATOM 3 C GLY A 1 -4.196 -42.096 10.466 1.00 0.00 C ATOM 4 O GLY A 1 -4.339 -41.988 9.248 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.809 -44.908 10.543 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.648 -44.274 9.479 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.156 -45.116 10.868 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.885 -42.944 11.468 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.339 -43.379 12.171 1.00 0.00 H new ATOM 8 N SER A 2 -3.467 -41.249 11.187 1.00 0.00 N ATOM 9 CA SER A 2 -2.781 -40.118 10.574 1.00 0.00 C ATOM 10 C SER A 2 -1.458 -40.554 9.953 1.00 0.00 C ATOM 11 O SER A 2 -0.427 -39.908 10.142 1.00 0.00 O ATOM 12 CB SER A 2 -2.533 -39.021 11.613 1.00 0.00 C ATOM 13 OG SER A 2 -1.849 -39.534 12.742 1.00 0.00 O ATOM 0 H SER A 2 -3.337 -41.325 12.196 1.00 0.00 H new ATOM 0 HA SER A 2 -3.420 -39.724 9.784 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.950 -38.217 11.165 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.484 -38.590 11.925 1.00 0.00 H new ATOM 0 HG SER A 2 -1.701 -38.814 13.390 1.00 0.00 H new ATOM 19 N SER A 3 -1.495 -41.657 9.211 1.00 0.00 N ATOM 20 CA SER A 3 -0.299 -42.184 8.565 1.00 0.00 C ATOM 21 C SER A 3 -0.046 -41.482 7.234 1.00 0.00 C ATOM 22 O SER A 3 -0.982 -41.102 6.533 1.00 0.00 O ATOM 23 CB SER A 3 -0.437 -43.691 8.342 1.00 0.00 C ATOM 24 OG SER A 3 0.002 -44.417 9.477 1.00 0.00 O ATOM 0 H SER A 3 -2.340 -42.202 9.043 1.00 0.00 H new ATOM 0 HA SER A 3 0.551 -41.997 9.221 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.478 -43.937 8.130 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.145 -43.987 7.469 1.00 0.00 H new ATOM 0 HG SER A 3 -0.098 -45.377 9.310 1.00 0.00 H new ATOM 30 N GLY A 4 1.228 -41.314 6.894 1.00 0.00 N ATOM 31 CA GLY A 4 1.583 -40.658 5.650 1.00 0.00 C ATOM 32 C GLY A 4 2.932 -39.970 5.720 1.00 0.00 C ATOM 33 O GLY A 4 3.802 -40.376 6.491 1.00 0.00 O ATOM 0 H GLY A 4 2.021 -41.621 7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.595 -41.394 4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.817 -39.924 5.399 1.00 0.00 H new ATOM 37 N SER A 5 3.108 -38.930 4.912 1.00 0.00 N ATOM 38 CA SER A 5 4.364 -38.188 4.883 1.00 0.00 C ATOM 39 C SER A 5 4.133 -36.749 4.433 1.00 0.00 C ATOM 40 O SER A 5 3.053 -36.400 3.957 1.00 0.00 O ATOM 41 CB SER A 5 5.362 -38.873 3.947 1.00 0.00 C ATOM 42 OG SER A 5 6.050 -39.918 4.613 1.00 0.00 O ATOM 0 H SER A 5 2.397 -38.582 4.269 1.00 0.00 H new ATOM 0 HA SER A 5 4.774 -38.173 5.893 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.837 -39.274 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.078 -38.141 3.575 1.00 0.00 H new ATOM 0 HG SER A 5 5.547 -40.185 5.411 1.00 0.00 H new ATOM 48 N SER A 6 5.159 -35.917 4.587 1.00 0.00 N ATOM 49 CA SER A 6 5.068 -34.514 4.201 1.00 0.00 C ATOM 50 C SER A 6 4.478 -34.372 2.802 1.00 0.00 C ATOM 51 O SER A 6 4.328 -35.354 2.077 1.00 0.00 O ATOM 52 CB SER A 6 6.450 -33.859 4.252 1.00 0.00 C ATOM 53 OG SER A 6 7.248 -34.266 3.155 1.00 0.00 O ATOM 0 H SER A 6 6.061 -36.190 4.976 1.00 0.00 H new ATOM 0 HA SER A 6 4.408 -34.011 4.907 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.342 -32.774 4.245 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.947 -34.124 5.185 1.00 0.00 H new ATOM 0 HG SER A 6 8.125 -33.832 3.210 1.00 0.00 H new ATOM 59 N GLY A 7 4.143 -33.140 2.429 1.00 0.00 N ATOM 60 CA GLY A 7 3.572 -32.891 1.119 1.00 0.00 C ATOM 61 C GLY A 7 4.252 -31.742 0.399 1.00 0.00 C ATOM 62 O GLY A 7 4.874 -30.888 1.029 1.00 0.00 O ATOM 0 H GLY A 7 4.257 -32.310 3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.652 -33.794 0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.510 -32.672 1.225 1.00 0.00 H new ATOM 66 N GLU A 8 4.136 -31.724 -0.925 1.00 0.00 N ATOM 67 CA GLU A 8 4.747 -30.673 -1.730 1.00 0.00 C ATOM 68 C GLU A 8 3.773 -29.519 -1.949 1.00 0.00 C ATOM 69 O GLU A 8 2.591 -29.733 -2.222 1.00 0.00 O ATOM 70 CB GLU A 8 5.202 -31.233 -3.080 1.00 0.00 C ATOM 71 CG GLU A 8 6.192 -32.379 -2.961 1.00 0.00 C ATOM 72 CD GLU A 8 5.512 -33.733 -2.890 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.704 -34.038 -3.791 1.00 0.00 O ATOM 74 OE2 GLU A 8 5.788 -34.487 -1.934 1.00 0.00 O ATOM 0 H GLU A 8 3.625 -32.424 -1.462 1.00 0.00 H new ATOM 0 HA GLU A 8 5.615 -30.296 -1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.328 -31.575 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.656 -30.431 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.868 -32.360 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.802 -32.236 -2.069 1.00 0.00 H new ATOM 81 N ASP A 9 4.277 -28.297 -1.826 1.00 0.00 N ATOM 82 CA ASP A 9 3.453 -27.107 -2.010 1.00 0.00 C ATOM 83 C ASP A 9 4.267 -25.970 -2.621 1.00 0.00 C ATOM 84 O ASP A 9 5.494 -26.046 -2.701 1.00 0.00 O ATOM 85 CB ASP A 9 2.855 -26.663 -0.674 1.00 0.00 C ATOM 86 CG ASP A 9 1.513 -27.311 -0.397 1.00 0.00 C ATOM 87 OD1 ASP A 9 1.478 -28.542 -0.193 1.00 0.00 O ATOM 88 OD2 ASP A 9 0.497 -26.585 -0.383 1.00 0.00 O ATOM 0 H ASP A 9 5.253 -28.103 -1.600 1.00 0.00 H new ATOM 0 HA ASP A 9 2.644 -27.358 -2.696 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.547 -26.910 0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.739 -25.579 -0.673 1.00 0.00 H new ATOM 93 N ASP A 10 3.578 -24.919 -3.049 1.00 0.00 N ATOM 94 CA ASP A 10 4.236 -23.766 -3.652 1.00 0.00 C ATOM 95 C ASP A 10 4.074 -22.528 -2.776 1.00 0.00 C ATOM 96 O ASP A 10 2.999 -22.252 -2.243 1.00 0.00 O ATOM 97 CB ASP A 10 3.668 -23.499 -5.046 1.00 0.00 C ATOM 98 CG ASP A 10 3.565 -24.760 -5.882 1.00 0.00 C ATOM 99 OD1 ASP A 10 2.734 -25.628 -5.543 1.00 0.00 O ATOM 100 OD2 ASP A 10 4.316 -24.879 -6.873 1.00 0.00 O ATOM 0 H ASP A 10 2.563 -24.841 -2.990 1.00 0.00 H new ATOM 0 HA ASP A 10 5.299 -23.990 -3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.680 -23.047 -4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.301 -22.776 -5.561 1.00 0.00 H new ATOM 105 N PRO A 11 5.165 -21.764 -2.623 1.00 0.00 N ATOM 106 CA PRO A 11 5.169 -20.543 -1.812 1.00 0.00 C ATOM 107 C PRO A 11 4.354 -19.421 -2.448 1.00 0.00 C ATOM 108 O PRO A 11 3.965 -19.509 -3.614 1.00 0.00 O ATOM 109 CB PRO A 11 6.649 -20.159 -1.754 1.00 0.00 C ATOM 110 CG PRO A 11 7.245 -20.763 -2.979 1.00 0.00 C ATOM 111 CD PRO A 11 6.480 -22.032 -3.230 1.00 0.00 C ATOM 0 HA PRO A 11 4.717 -20.704 -0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.777 -19.077 -1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.123 -20.545 -0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.164 -20.084 -3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.306 -20.969 -2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.395 -22.246 -4.295 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.967 -22.892 -2.770 1.00 0.00 H new ATOM 119 N ILE A 12 4.098 -18.370 -1.677 1.00 0.00 N ATOM 120 CA ILE A 12 3.330 -17.233 -2.166 1.00 0.00 C ATOM 121 C ILE A 12 4.134 -16.420 -3.175 1.00 0.00 C ATOM 122 O ILE A 12 5.278 -16.038 -2.930 1.00 0.00 O ATOM 123 CB ILE A 12 2.892 -16.311 -1.013 1.00 0.00 C ATOM 124 CG1 ILE A 12 2.028 -17.082 -0.014 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.137 -15.106 -1.555 1.00 0.00 C ATOM 126 CD1 ILE A 12 1.794 -16.340 1.283 1.00 0.00 C ATOM 0 H ILE A 12 4.412 -18.283 -0.710 1.00 0.00 H new ATOM 0 HA ILE A 12 2.443 -17.638 -2.653 1.00 0.00 H new ATOM 0 HB ILE A 12 3.782 -15.954 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.065 -17.304 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.505 -18.037 0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.834 -14.464 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.783 -14.546 -2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.252 -15.444 -2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.174 -16.947 1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.751 -16.141 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.289 -15.397 1.076 1.00 0.00 H new ATOM 138 N PRO A 13 3.522 -16.146 -4.337 1.00 0.00 N ATOM 139 CA PRO A 13 4.162 -15.373 -5.406 1.00 0.00 C ATOM 140 C PRO A 13 4.333 -13.904 -5.036 1.00 0.00 C ATOM 141 O PRO A 13 3.806 -13.444 -4.023 1.00 0.00 O ATOM 142 CB PRO A 13 3.191 -15.521 -6.579 1.00 0.00 C ATOM 143 CG PRO A 13 1.869 -15.787 -5.947 1.00 0.00 C ATOM 144 CD PRO A 13 2.159 -16.570 -4.696 1.00 0.00 C ATOM 0 HA PRO A 13 5.169 -15.730 -5.621 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.164 -14.617 -7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 13 3.487 -16.338 -7.237 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.353 -14.855 -5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.221 -16.350 -6.619 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.445 -16.341 -3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.106 -17.644 -4.873 1.00 0.00 H new ATOM 152 N ASP A 14 5.070 -13.172 -5.864 1.00 0.00 N ATOM 153 CA ASP A 14 5.308 -11.753 -5.625 1.00 0.00 C ATOM 154 C ASP A 14 4.066 -10.931 -5.956 1.00 0.00 C ATOM 155 O ASP A 14 3.701 -10.018 -5.216 1.00 0.00 O ATOM 156 CB ASP A 14 6.495 -11.266 -6.458 1.00 0.00 C ATOM 157 CG ASP A 14 7.826 -11.554 -5.792 1.00 0.00 C ATOM 158 OD1 ASP A 14 8.195 -12.742 -5.693 1.00 0.00 O ATOM 159 OD2 ASP A 14 8.498 -10.589 -5.368 1.00 0.00 O ATOM 0 H ASP A 14 5.513 -13.538 -6.707 1.00 0.00 H new ATOM 0 HA ASP A 14 5.538 -11.621 -4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.470 -11.746 -7.436 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.401 -10.193 -6.627 1.00 0.00 H new ATOM 164 N GLU A 15 3.424 -11.260 -7.072 1.00 0.00 N ATOM 165 CA GLU A 15 2.225 -10.551 -7.501 1.00 0.00 C ATOM 166 C GLU A 15 1.256 -10.368 -6.336 1.00 0.00 C ATOM 167 O GLU A 15 0.421 -9.461 -6.345 1.00 0.00 O ATOM 168 CB GLU A 15 1.537 -11.307 -8.638 1.00 0.00 C ATOM 169 CG GLU A 15 1.008 -12.671 -8.230 1.00 0.00 C ATOM 170 CD GLU A 15 0.569 -13.507 -9.417 1.00 0.00 C ATOM 171 OE1 GLU A 15 -0.143 -12.970 -10.290 1.00 0.00 O ATOM 172 OE2 GLU A 15 0.939 -14.699 -9.472 1.00 0.00 O ATOM 0 H GLU A 15 3.714 -12.013 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 15 2.525 -9.566 -7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.711 -10.705 -9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.243 -11.431 -9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.782 -13.207 -7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.166 -12.541 -7.551 1.00 0.00 H new ATOM 179 N LEU A 16 1.371 -11.234 -5.336 1.00 0.00 N ATOM 180 CA LEU A 16 0.505 -11.170 -4.165 1.00 0.00 C ATOM 181 C LEU A 16 1.226 -10.518 -2.990 1.00 0.00 C ATOM 182 O LEU A 16 1.007 -10.881 -1.833 1.00 0.00 O ATOM 183 CB LEU A 16 0.036 -12.573 -3.775 1.00 0.00 C ATOM 184 CG LEU A 16 -0.945 -13.245 -4.737 1.00 0.00 C ATOM 185 CD1 LEU A 16 -0.887 -14.757 -4.587 1.00 0.00 C ATOM 186 CD2 LEU A 16 -2.359 -12.737 -4.495 1.00 0.00 C ATOM 0 H LEU A 16 2.056 -11.989 -5.313 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.363 -10.561 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.913 -13.213 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.431 -12.518 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.658 -12.990 -5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.591 -15.219 -5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.121 -15.106 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.149 -15.032 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.045 -13.225 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.656 -12.963 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.390 -11.659 -4.653 1.00 0.00 H new ATOM 198 N LEU A 17 2.085 -9.551 -3.293 1.00 0.00 N ATOM 199 CA LEU A 17 2.838 -8.845 -2.262 1.00 0.00 C ATOM 200 C LEU A 17 2.945 -7.358 -2.588 1.00 0.00 C ATOM 201 O LEU A 17 2.847 -6.958 -3.748 1.00 0.00 O ATOM 202 CB LEU A 17 4.235 -9.449 -2.118 1.00 0.00 C ATOM 203 CG LEU A 17 4.290 -10.932 -1.746 1.00 0.00 C ATOM 204 CD1 LEU A 17 5.717 -11.450 -1.824 1.00 0.00 C ATOM 205 CD2 LEU A 17 3.715 -11.154 -0.354 1.00 0.00 C ATOM 0 H LEU A 17 2.278 -9.238 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 17 2.304 -8.954 -1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.768 -9.311 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.777 -8.884 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 17 3.684 -11.489 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.736 -12.506 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.094 -11.326 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.346 -10.889 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.762 -12.214 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.294 -10.585 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.677 -10.822 -0.332 1.00 0.00 H new ATOM 217 N CYS A 18 3.151 -6.545 -1.557 1.00 0.00 N ATOM 218 CA CYS A 18 3.275 -5.103 -1.733 1.00 0.00 C ATOM 219 C CYS A 18 4.665 -4.735 -2.243 1.00 0.00 C ATOM 220 O CYS A 18 5.613 -5.510 -2.111 1.00 0.00 O ATOM 221 CB CYS A 18 2.996 -4.381 -0.413 1.00 0.00 C ATOM 222 SG CYS A 18 4.360 -4.480 0.790 1.00 0.00 S ATOM 0 H CYS A 18 3.236 -6.861 -0.591 1.00 0.00 H new ATOM 0 HA CYS A 18 2.540 -4.788 -2.474 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.785 -3.332 -0.622 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.097 -4.803 0.037 1.00 0.00 H new ATOM 227 N LEU A 19 4.779 -3.548 -2.828 1.00 0.00 N ATOM 228 CA LEU A 19 6.054 -3.075 -3.358 1.00 0.00 C ATOM 229 C LEU A 19 6.727 -2.116 -2.382 1.00 0.00 C ATOM 230 O LEU A 19 7.286 -1.095 -2.785 1.00 0.00 O ATOM 231 CB LEU A 19 5.842 -2.383 -4.706 1.00 0.00 C ATOM 232 CG LEU A 19 5.014 -3.154 -5.734 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.577 -2.236 -6.865 1.00 0.00 C ATOM 234 CD2 LEU A 19 5.804 -4.336 -6.278 1.00 0.00 C ATOM 0 H LEU A 19 4.004 -2.895 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 19 6.705 -3.938 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.359 -1.423 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.819 -2.172 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 19 4.121 -3.537 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.989 -2.803 -7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.972 -1.424 -6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.457 -1.822 -7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.199 -4.873 -7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.715 -3.976 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.065 -5.007 -5.459 1.00 0.00 H new ATOM 246 N ILE A 20 6.674 -2.453 -1.098 1.00 0.00 N ATOM 247 CA ILE A 20 7.283 -1.625 -0.065 1.00 0.00 C ATOM 248 C ILE A 20 8.083 -2.471 0.919 1.00 0.00 C ATOM 249 O ILE A 20 9.312 -2.402 0.957 1.00 0.00 O ATOM 250 CB ILE A 20 6.221 -0.822 0.712 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.663 0.305 -0.161 1.00 0.00 C ATOM 252 CG2 ILE A 20 6.815 -0.262 1.995 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.385 0.908 0.377 1.00 0.00 C ATOM 0 H ILE A 20 6.215 -3.294 -0.748 1.00 0.00 H new ATOM 0 HA ILE A 20 7.953 -0.931 -0.573 1.00 0.00 H new ATOM 0 HB ILE A 20 5.402 -1.491 0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.415 1.089 -0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.480 -0.080 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.053 0.302 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.168 -1.082 2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.650 0.395 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.047 1.700 -0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.618 0.136 0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.568 1.323 1.368 1.00 0.00 H new ATOM 265 N CYS A 21 7.379 -3.272 1.712 1.00 0.00 N ATOM 266 CA CYS A 21 8.023 -4.135 2.695 1.00 0.00 C ATOM 267 C CYS A 21 8.014 -5.589 2.233 1.00 0.00 C ATOM 268 O CYS A 21 8.677 -6.443 2.820 1.00 0.00 O ATOM 269 CB CYS A 21 7.319 -4.014 4.049 1.00 0.00 C ATOM 270 SG CYS A 21 5.650 -4.743 4.086 1.00 0.00 S ATOM 0 H CYS A 21 6.362 -3.341 1.693 1.00 0.00 H new ATOM 0 HA CYS A 21 9.059 -3.813 2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.932 -4.497 4.810 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.250 -2.960 4.318 1.00 0.00 H new ATOM 275 N LYS A 22 7.258 -5.862 1.174 1.00 0.00 N ATOM 276 CA LYS A 22 7.163 -7.211 0.630 1.00 0.00 C ATOM 277 C LYS A 22 6.532 -8.162 1.642 1.00 0.00 C ATOM 278 O LYS A 22 7.109 -9.196 1.980 1.00 0.00 O ATOM 279 CB LYS A 22 8.549 -7.721 0.230 1.00 0.00 C ATOM 280 CG LYS A 22 9.289 -6.791 -0.716 1.00 0.00 C ATOM 281 CD LYS A 22 8.610 -6.718 -2.073 1.00 0.00 C ATOM 282 CE LYS A 22 9.142 -7.781 -3.021 1.00 0.00 C ATOM 283 NZ LYS A 22 8.108 -8.223 -3.996 1.00 0.00 N ATOM 0 H LYS A 22 6.703 -5.166 0.676 1.00 0.00 H new ATOM 0 HA LYS A 22 6.527 -7.175 -0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.148 -7.863 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.445 -8.698 -0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.340 -5.793 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.315 -7.138 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.534 -6.844 -1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.767 -5.731 -2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.004 -7.388 -3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.489 -8.639 -2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.398 -9.125 -4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.200 -8.349 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.003 -7.504 -4.740 1.00 0.00 H new ATOM 297 N ASP A 23 5.344 -7.808 2.120 1.00 0.00 N ATOM 298 CA ASP A 23 4.634 -8.632 3.091 1.00 0.00 C ATOM 299 C ASP A 23 3.154 -8.731 2.739 1.00 0.00 C ATOM 300 O ASP A 23 2.546 -7.760 2.288 1.00 0.00 O ATOM 301 CB ASP A 23 4.799 -8.055 4.498 1.00 0.00 C ATOM 302 CG ASP A 23 3.941 -8.772 5.522 1.00 0.00 C ATOM 303 OD1 ASP A 23 4.078 -10.007 5.651 1.00 0.00 O ATOM 304 OD2 ASP A 23 3.131 -8.099 6.194 1.00 0.00 O ATOM 0 H ASP A 23 4.852 -6.956 1.851 1.00 0.00 H new ATOM 0 HA ASP A 23 5.063 -9.634 3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.846 -8.122 4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.538 -6.997 4.487 1.00 0.00 H new ATOM 309 N ILE A 24 2.580 -9.912 2.947 1.00 0.00 N ATOM 310 CA ILE A 24 1.170 -10.138 2.651 1.00 0.00 C ATOM 311 C ILE A 24 0.320 -8.949 3.086 1.00 0.00 C ATOM 312 O ILE A 24 0.400 -8.500 4.229 1.00 0.00 O ATOM 313 CB ILE A 24 0.647 -11.410 3.345 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.438 -12.633 2.879 1.00 0.00 C ATOM 315 CG2 ILE A 24 -0.837 -11.593 3.064 1.00 0.00 C ATOM 316 CD1 ILE A 24 1.193 -13.868 3.718 1.00 0.00 C ATOM 0 H ILE A 24 3.069 -10.726 3.319 1.00 0.00 H new ATOM 0 HA ILE A 24 1.090 -10.263 1.571 1.00 0.00 H new ATOM 0 HB ILE A 24 0.783 -11.302 4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.178 -12.850 1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.502 -12.396 2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.193 -12.496 3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.388 -10.731 3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.995 -11.684 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.787 -14.695 3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.480 -13.669 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.136 -14.130 3.679 1.00 0.00 H new ATOM 328 N MET A 25 -0.496 -8.445 2.167 1.00 0.00 N ATOM 329 CA MET A 25 -1.364 -7.310 2.455 1.00 0.00 C ATOM 330 C MET A 25 -2.706 -7.779 3.009 1.00 0.00 C ATOM 331 O MET A 25 -3.588 -8.197 2.257 1.00 0.00 O ATOM 332 CB MET A 25 -1.584 -6.474 1.193 1.00 0.00 C ATOM 333 CG MET A 25 -0.296 -6.117 0.469 1.00 0.00 C ATOM 334 SD MET A 25 0.272 -7.432 -0.625 1.00 0.00 S ATOM 335 CE MET A 25 -0.693 -7.092 -2.095 1.00 0.00 C ATOM 0 H MET A 25 -0.574 -8.805 1.216 1.00 0.00 H new ATOM 0 HA MET A 25 -0.875 -6.693 3.209 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.234 -7.023 0.512 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.107 -5.556 1.462 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.450 -5.208 -0.112 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.480 -5.899 1.202 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.050 -8.030 -2.521 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.545 -6.465 -1.834 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.072 -6.574 -2.826 1.00 0.00 H new ATOM 345 N THR A 26 -2.855 -7.707 4.328 1.00 0.00 N ATOM 346 CA THR A 26 -4.089 -8.125 4.982 1.00 0.00 C ATOM 347 C THR A 26 -5.310 -7.581 4.250 1.00 0.00 C ATOM 348 O THR A 26 -6.330 -8.260 4.135 1.00 0.00 O ATOM 349 CB THR A 26 -4.133 -7.658 6.449 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.390 -8.009 7.038 1.00 0.00 O ATOM 351 CG2 THR A 26 -3.922 -6.155 6.546 1.00 0.00 C ATOM 0 H THR A 26 -2.136 -7.363 4.965 1.00 0.00 H new ATOM 0 HA THR A 26 -4.108 -9.214 4.955 1.00 0.00 H new ATOM 0 HB THR A 26 -3.328 -8.156 6.990 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.085 -7.400 6.713 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.957 -5.849 7.592 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.951 -5.896 6.125 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.707 -5.641 5.991 1.00 0.00 H new ATOM 359 N ASP A 27 -5.200 -6.352 3.758 1.00 0.00 N ATOM 360 CA ASP A 27 -6.297 -5.717 3.035 1.00 0.00 C ATOM 361 C ASP A 27 -5.793 -5.048 1.761 1.00 0.00 C ATOM 362 O ASP A 27 -5.687 -3.825 1.690 1.00 0.00 O ATOM 363 CB ASP A 27 -6.993 -4.686 3.925 1.00 0.00 C ATOM 364 CG ASP A 27 -7.637 -5.316 5.146 1.00 0.00 C ATOM 365 OD1 ASP A 27 -7.098 -6.325 5.647 1.00 0.00 O ATOM 366 OD2 ASP A 27 -8.678 -4.798 5.600 1.00 0.00 O ATOM 0 H ASP A 27 -4.363 -5.775 3.846 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.013 -6.491 2.759 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.268 -3.938 4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.754 -4.164 3.345 1.00 0.00 H new ATOM 371 N ALA A 28 -5.481 -5.860 0.756 1.00 0.00 N ATOM 372 CA ALA A 28 -4.988 -5.349 -0.516 1.00 0.00 C ATOM 373 C ALA A 28 -5.679 -4.039 -0.885 1.00 0.00 C ATOM 374 O ALA A 28 -6.906 -3.974 -0.964 1.00 0.00 O ATOM 375 CB ALA A 28 -5.189 -6.381 -1.615 1.00 0.00 C ATOM 0 H ALA A 28 -5.561 -6.876 0.799 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.921 -5.151 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.816 -5.984 -2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.645 -7.291 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.251 -6.608 -1.711 1.00 0.00 H new ATOM 381 N VAL A 29 -4.884 -2.999 -1.111 1.00 0.00 N ATOM 382 CA VAL A 29 -5.419 -1.691 -1.472 1.00 0.00 C ATOM 383 C VAL A 29 -4.781 -1.172 -2.755 1.00 0.00 C ATOM 384 O VAL A 29 -3.571 -0.946 -2.812 1.00 0.00 O ATOM 385 CB VAL A 29 -5.196 -0.663 -0.347 1.00 0.00 C ATOM 386 CG1 VAL A 29 -6.050 -1.004 0.865 1.00 0.00 C ATOM 387 CG2 VAL A 29 -3.724 -0.597 0.030 1.00 0.00 C ATOM 0 H VAL A 29 -3.866 -3.036 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.490 -1.819 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.499 0.319 -0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.879 -0.267 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.103 -0.996 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.781 -1.994 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.585 0.134 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.392 -1.576 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.138 -0.301 -0.841 1.00 0.00 H new ATOM 397 N VAL A 30 -5.601 -0.984 -3.783 1.00 0.00 N ATOM 398 CA VAL A 30 -5.116 -0.489 -5.067 1.00 0.00 C ATOM 399 C VAL A 30 -5.246 1.028 -5.155 1.00 0.00 C ATOM 400 O VAL A 30 -6.285 1.594 -4.814 1.00 0.00 O ATOM 401 CB VAL A 30 -5.883 -1.127 -6.240 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.384 -0.577 -7.568 1.00 0.00 C ATOM 403 CG2 VAL A 30 -5.755 -2.642 -6.199 1.00 0.00 C ATOM 0 H VAL A 30 -6.604 -1.167 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.064 -0.766 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.938 -0.872 -6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.938 -1.040 -8.385 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.533 0.502 -7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.323 -0.799 -7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.303 -3.076 -7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.704 -2.920 -6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.166 -3.017 -5.262 1.00 0.00 H new ATOM 413 N ILE A 31 -4.183 1.680 -5.615 1.00 0.00 N ATOM 414 CA ILE A 31 -4.179 3.132 -5.750 1.00 0.00 C ATOM 415 C ILE A 31 -4.471 3.552 -7.186 1.00 0.00 C ATOM 416 O ILE A 31 -3.911 3.016 -8.142 1.00 0.00 O ATOM 417 CB ILE A 31 -2.829 3.733 -5.315 1.00 0.00 C ATOM 418 CG1 ILE A 31 -3.018 5.173 -4.835 1.00 0.00 C ATOM 419 CG2 ILE A 31 -1.831 3.678 -6.462 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.786 5.759 -4.182 1.00 0.00 C ATOM 0 H ILE A 31 -3.315 1.227 -5.900 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.965 3.512 -5.097 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.435 3.143 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.301 5.796 -5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.845 5.205 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.882 4.106 -6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.678 2.641 -6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.217 4.247 -7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.993 6.782 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.514 5.159 -3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.961 5.759 -4.895 1.00 0.00 H new ATOM 432 N PRO A 32 -5.369 4.537 -7.343 1.00 0.00 N ATOM 433 CA PRO A 32 -5.754 5.053 -8.660 1.00 0.00 C ATOM 434 C PRO A 32 -4.630 5.838 -9.327 1.00 0.00 C ATOM 435 O PRO A 32 -4.337 5.643 -10.507 1.00 0.00 O ATOM 436 CB PRO A 32 -6.937 5.973 -8.348 1.00 0.00 C ATOM 437 CG PRO A 32 -6.729 6.389 -6.933 1.00 0.00 C ATOM 438 CD PRO A 32 -6.075 5.221 -6.248 1.00 0.00 C ATOM 0 HA PRO A 32 -5.992 4.251 -9.358 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.956 6.835 -9.015 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.887 5.453 -8.472 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.099 7.277 -6.876 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.677 6.639 -6.457 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.387 5.546 -5.467 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.810 4.570 -5.774 1.00 0.00 H new ATOM 446 N CYS A 33 -4.002 6.727 -8.564 1.00 0.00 N ATOM 447 CA CYS A 33 -2.909 7.542 -9.080 1.00 0.00 C ATOM 448 C CYS A 33 -2.132 6.791 -10.157 1.00 0.00 C ATOM 449 O CYS A 33 -1.864 7.326 -11.233 1.00 0.00 O ATOM 450 CB CYS A 33 -1.968 7.948 -7.945 1.00 0.00 C ATOM 451 SG CYS A 33 -1.266 6.543 -7.023 1.00 0.00 S ATOM 0 H CYS A 33 -4.232 6.901 -7.586 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.337 8.440 -9.526 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.152 8.541 -8.358 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.510 8.590 -7.251 1.00 0.00 H new ATOM 456 N CYS A 34 -1.773 5.546 -9.860 1.00 0.00 N ATOM 457 CA CYS A 34 -1.026 4.721 -10.800 1.00 0.00 C ATOM 458 C CYS A 34 -1.644 3.330 -10.913 1.00 0.00 C ATOM 459 O CYS A 34 -1.994 2.881 -12.004 1.00 0.00 O ATOM 460 CB CYS A 34 0.436 4.607 -10.363 1.00 0.00 C ATOM 461 SG CYS A 34 0.655 4.073 -8.635 1.00 0.00 S ATOM 0 H CYS A 34 -1.988 5.087 -8.975 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.069 5.200 -11.778 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.946 3.901 -11.018 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.921 5.574 -10.498 1.00 0.00 H new ATOM 466 N GLY A 35 -1.775 2.653 -9.777 1.00 0.00 N ATOM 467 CA GLY A 35 -2.351 1.320 -9.769 1.00 0.00 C ATOM 468 C GLY A 35 -1.414 0.287 -9.176 1.00 0.00 C ATOM 469 O GLY A 35 -0.718 -0.418 -9.904 1.00 0.00 O ATOM 0 H GLY A 35 -1.493 3.003 -8.862 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.280 1.333 -9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.606 1.032 -10.789 1.00 0.00 H new ATOM 473 N ASN A 36 -1.397 0.198 -7.850 1.00 0.00 N ATOM 474 CA ASN A 36 -0.536 -0.755 -7.160 1.00 0.00 C ATOM 475 C ASN A 36 -1.138 -1.158 -5.817 1.00 0.00 C ATOM 476 O ASN A 36 -1.884 -0.393 -5.205 1.00 0.00 O ATOM 477 CB ASN A 36 0.856 -0.156 -6.947 1.00 0.00 C ATOM 478 CG ASN A 36 1.644 -0.055 -8.238 1.00 0.00 C ATOM 479 OD1 ASN A 36 1.505 -0.890 -9.132 1.00 0.00 O ATOM 480 ND2 ASN A 36 2.479 0.975 -8.343 1.00 0.00 N ATOM 0 H ASN A 36 -1.969 0.774 -7.232 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.450 -1.646 -7.783 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.758 0.836 -6.505 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.408 -0.769 -6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.035 1.096 -9.189 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.563 1.644 -7.577 1.00 0.00 H new ATOM 487 N SER A 37 -0.809 -2.364 -5.365 1.00 0.00 N ATOM 488 CA SER A 37 -1.320 -2.871 -4.097 1.00 0.00 C ATOM 489 C SER A 37 -0.305 -2.657 -2.978 1.00 0.00 C ATOM 490 O SER A 37 0.898 -2.831 -3.174 1.00 0.00 O ATOM 491 CB SER A 37 -1.658 -4.358 -4.217 1.00 0.00 C ATOM 492 OG SER A 37 -2.633 -4.738 -3.261 1.00 0.00 O ATOM 0 H SER A 37 -0.191 -3.008 -5.858 1.00 0.00 H new ATOM 0 HA SER A 37 -2.227 -2.318 -3.852 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.026 -4.571 -5.221 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.755 -4.952 -4.076 1.00 0.00 H new ATOM 0 HG SER A 37 -2.833 -5.692 -3.359 1.00 0.00 H new ATOM 498 N TYR A 38 -0.799 -2.278 -1.805 1.00 0.00 N ATOM 499 CA TYR A 38 0.064 -2.037 -0.654 1.00 0.00 C ATOM 500 C TYR A 38 -0.648 -2.399 0.645 1.00 0.00 C ATOM 501 O TYR A 38 -1.875 -2.341 0.732 1.00 0.00 O ATOM 502 CB TYR A 38 0.503 -0.573 -0.617 1.00 0.00 C ATOM 503 CG TYR A 38 1.413 -0.184 -1.760 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.729 -0.627 -1.808 1.00 0.00 C ATOM 505 CD2 TYR A 38 0.956 0.625 -2.794 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.564 -0.274 -2.851 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.784 0.982 -3.841 1.00 0.00 C ATOM 508 CZ TYR A 38 3.087 0.531 -3.864 1.00 0.00 C ATOM 509 OH TYR A 38 3.915 0.883 -4.906 1.00 0.00 O ATOM 0 H TYR A 38 -1.792 -2.131 -1.626 1.00 0.00 H new ATOM 0 HA TYR A 38 0.945 -2.671 -0.753 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.382 0.063 -0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.015 -0.380 0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.106 -1.258 -1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.064 0.981 -2.779 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.585 -0.627 -2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.413 1.611 -4.637 1.00 0.00 H new ATOM 0 HH TYR A 38 3.425 1.452 -5.536 1.00 0.00 H new ATOM 519 N CYS A 39 0.131 -2.772 1.656 1.00 0.00 N ATOM 520 CA CYS A 39 -0.422 -3.144 2.952 1.00 0.00 C ATOM 521 C CYS A 39 -1.260 -2.007 3.531 1.00 0.00 C ATOM 522 O CYS A 39 -0.841 -0.850 3.530 1.00 0.00 O ATOM 523 CB CYS A 39 0.703 -3.509 3.924 1.00 0.00 C ATOM 524 SG CYS A 39 1.855 -4.768 3.287 1.00 0.00 S ATOM 0 H CYS A 39 1.148 -2.824 1.602 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.066 -4.012 2.810 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.265 -2.607 4.168 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.263 -3.871 4.853 1.00 0.00 H new ATOM 529 N ASP A 40 -2.446 -2.348 4.026 1.00 0.00 N ATOM 530 CA ASP A 40 -3.343 -1.357 4.610 1.00 0.00 C ATOM 531 C ASP A 40 -2.556 -0.290 5.366 1.00 0.00 C ATOM 532 O ASP A 40 -2.984 0.860 5.457 1.00 0.00 O ATOM 533 CB ASP A 40 -4.341 -2.035 5.551 1.00 0.00 C ATOM 534 CG ASP A 40 -4.770 -1.129 6.688 1.00 0.00 C ATOM 535 OD1 ASP A 40 -3.911 -0.776 7.523 1.00 0.00 O ATOM 536 OD2 ASP A 40 -5.967 -0.774 6.745 1.00 0.00 O ATOM 0 H ASP A 40 -2.808 -3.302 4.034 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.889 -0.874 3.800 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.220 -2.343 4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.893 -2.940 5.961 1.00 0.00 H new ATOM 541 N GLU A 41 -1.407 -0.681 5.906 1.00 0.00 N ATOM 542 CA GLU A 41 -0.562 0.242 6.655 1.00 0.00 C ATOM 543 C GLU A 41 0.484 0.881 5.747 1.00 0.00 C ATOM 544 O GLU A 41 0.614 2.104 5.695 1.00 0.00 O ATOM 545 CB GLU A 41 0.125 -0.484 7.813 1.00 0.00 C ATOM 546 CG GLU A 41 0.553 0.438 8.943 1.00 0.00 C ATOM 547 CD GLU A 41 1.586 -0.196 9.853 1.00 0.00 C ATOM 548 OE1 GLU A 41 2.707 -0.474 9.375 1.00 0.00 O ATOM 549 OE2 GLU A 41 1.276 -0.416 11.042 1.00 0.00 O ATOM 0 H GLU A 41 -1.039 -1.630 5.839 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.198 1.030 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.553 -1.240 8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.001 -1.009 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.960 1.357 8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.322 0.716 9.531 1.00 0.00 H new ATOM 556 N CYS A 42 1.230 0.044 5.035 1.00 0.00 N ATOM 557 CA CYS A 42 2.267 0.525 4.129 1.00 0.00 C ATOM 558 C CYS A 42 1.834 1.817 3.443 1.00 0.00 C ATOM 559 O CYS A 42 2.357 2.892 3.736 1.00 0.00 O ATOM 560 CB CYS A 42 2.588 -0.540 3.078 1.00 0.00 C ATOM 561 SG CYS A 42 3.930 -1.676 3.556 1.00 0.00 S ATOM 0 H CYS A 42 1.136 -0.971 5.067 1.00 0.00 H new ATOM 0 HA CYS A 42 3.162 0.729 4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.688 -1.122 2.879 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.860 -0.045 2.146 1.00 0.00 H new ATOM 566 N ILE A 43 0.876 1.703 2.529 1.00 0.00 N ATOM 567 CA ILE A 43 0.372 2.863 1.804 1.00 0.00 C ATOM 568 C ILE A 43 0.137 4.040 2.744 1.00 0.00 C ATOM 569 O ILE A 43 0.399 5.191 2.392 1.00 0.00 O ATOM 570 CB ILE A 43 -0.941 2.539 1.066 1.00 0.00 C ATOM 571 CG1 ILE A 43 -1.350 3.710 0.171 1.00 0.00 C ATOM 572 CG2 ILE A 43 -2.043 2.216 2.064 1.00 0.00 C ATOM 573 CD1 ILE A 43 -0.459 3.888 -1.037 1.00 0.00 C ATOM 0 H ILE A 43 0.434 0.820 2.273 1.00 0.00 H new ATOM 0 HA ILE A 43 1.133 3.133 1.072 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.781 1.664 0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.376 3.559 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.338 4.628 0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.964 1.989 1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.750 1.354 2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.205 3.073 2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.809 4.736 -1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.565 4.070 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.490 2.986 -1.648 1.00 0.00 H new ATOM 585 N ARG A 44 -0.358 3.745 3.941 1.00 0.00 N ATOM 586 CA ARG A 44 -0.627 4.779 4.933 1.00 0.00 C ATOM 587 C ARG A 44 0.668 5.440 5.395 1.00 0.00 C ATOM 588 O ARG A 44 0.843 6.652 5.257 1.00 0.00 O ATOM 589 CB ARG A 44 -1.365 4.183 6.134 1.00 0.00 C ATOM 590 CG ARG A 44 -1.927 5.228 7.083 1.00 0.00 C ATOM 591 CD ARG A 44 -2.890 4.611 8.085 1.00 0.00 C ATOM 592 NE ARG A 44 -3.808 5.602 8.642 1.00 0.00 N ATOM 593 CZ ARG A 44 -4.549 5.390 9.724 1.00 0.00 C ATOM 594 NH1 ARG A 44 -4.479 4.229 10.362 1.00 0.00 N ATOM 595 NH2 ARG A 44 -5.361 6.340 10.171 1.00 0.00 N ATOM 0 H ARG A 44 -0.581 2.798 4.248 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.256 5.538 4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.180 3.556 5.774 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.683 3.535 6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.110 5.715 7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.441 6.001 6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.461 3.820 7.599 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.325 4.146 8.893 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.884 6.505 8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.855 3.497 10.022 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.049 4.068 11.193 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.417 7.234 9.684 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.929 6.176 11.002 1.00 0.00 H new ATOM 609 N THR A 45 1.572 4.637 5.946 1.00 0.00 N ATOM 610 CA THR A 45 2.851 5.145 6.430 1.00 0.00 C ATOM 611 C THR A 45 3.582 5.922 5.341 1.00 0.00 C ATOM 612 O THR A 45 4.284 6.893 5.623 1.00 0.00 O ATOM 613 CB THR A 45 3.757 4.002 6.925 1.00 0.00 C ATOM 614 OG1 THR A 45 3.038 3.167 7.839 1.00 0.00 O ATOM 615 CG2 THR A 45 5.001 4.554 7.606 1.00 0.00 C ATOM 0 H THR A 45 1.443 3.633 6.069 1.00 0.00 H new ATOM 0 HA THR A 45 2.631 5.813 7.263 1.00 0.00 H new ATOM 0 HB THR A 45 4.065 3.413 6.061 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.621 2.442 8.147 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.626 3.728 7.947 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.562 5.165 6.899 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.708 5.164 8.460 1.00 0.00 H new ATOM 623 N ALA A 46 3.411 5.490 4.096 1.00 0.00 N ATOM 624 CA ALA A 46 4.053 6.148 2.964 1.00 0.00 C ATOM 625 C ALA A 46 3.601 7.600 2.845 1.00 0.00 C ATOM 626 O ALA A 46 4.414 8.522 2.919 1.00 0.00 O ATOM 627 CB ALA A 46 3.756 5.393 1.677 1.00 0.00 C ATOM 0 H ALA A 46 2.833 4.687 3.845 1.00 0.00 H new ATOM 0 HA ALA A 46 5.130 6.143 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.241 5.895 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.134 4.374 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.679 5.368 1.510 1.00 0.00 H new ATOM 633 N LEU A 47 2.301 7.796 2.660 1.00 0.00 N ATOM 634 CA LEU A 47 1.739 9.137 2.530 1.00 0.00 C ATOM 635 C LEU A 47 2.213 10.037 3.666 1.00 0.00 C ATOM 636 O LEU A 47 2.658 11.163 3.437 1.00 0.00 O ATOM 637 CB LEU A 47 0.211 9.073 2.516 1.00 0.00 C ATOM 638 CG LEU A 47 -0.414 8.175 1.447 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.909 8.030 1.681 1.00 0.00 C ATOM 640 CD2 LEU A 47 -0.141 8.731 0.058 1.00 0.00 C ATOM 0 H LEU A 47 1.615 7.044 2.596 1.00 0.00 H new ATOM 0 HA LEU A 47 2.086 9.560 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.127 8.729 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.174 10.084 2.383 1.00 0.00 H new ATOM 0 HG LEU A 47 0.042 7.187 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.337 7.388 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.082 7.586 2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.381 9.012 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.593 8.080 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.569 9.730 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.935 8.783 -0.108 1.00 0.00 H new ATOM 652 N LEU A 48 2.115 9.534 4.892 1.00 0.00 N ATOM 653 CA LEU A 48 2.535 10.293 6.065 1.00 0.00 C ATOM 654 C LEU A 48 4.027 10.607 6.006 1.00 0.00 C ATOM 655 O LEU A 48 4.428 11.770 6.049 1.00 0.00 O ATOM 656 CB LEU A 48 2.219 9.511 7.342 1.00 0.00 C ATOM 657 CG LEU A 48 0.777 9.025 7.490 1.00 0.00 C ATOM 658 CD1 LEU A 48 0.621 8.193 8.754 1.00 0.00 C ATOM 659 CD2 LEU A 48 -0.186 10.203 7.502 1.00 0.00 C ATOM 0 H LEU A 48 1.749 8.605 5.099 1.00 0.00 H new ATOM 0 HA LEU A 48 1.984 11.234 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.880 8.645 7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.459 10.140 8.199 1.00 0.00 H new ATOM 0 HG LEU A 48 0.537 8.395 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.412 7.856 8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.282 7.328 8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.881 8.798 9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.207 9.837 7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.053 10.860 8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.094 10.757 6.568 1.00 0.00 H new ATOM 671 N GLU A 49 4.843 9.563 5.904 1.00 0.00 N ATOM 672 CA GLU A 49 6.290 9.729 5.836 1.00 0.00 C ATOM 673 C GLU A 49 6.657 11.023 5.114 1.00 0.00 C ATOM 674 O GLU A 49 7.248 11.928 5.703 1.00 0.00 O ATOM 675 CB GLU A 49 6.930 8.536 5.122 1.00 0.00 C ATOM 676 CG GLU A 49 7.211 7.357 6.039 1.00 0.00 C ATOM 677 CD GLU A 49 8.281 7.662 7.069 1.00 0.00 C ATOM 678 OE1 GLU A 49 9.290 8.302 6.706 1.00 0.00 O ATOM 679 OE2 GLU A 49 8.108 7.260 8.239 1.00 0.00 O ATOM 0 H GLU A 49 4.527 8.594 5.867 1.00 0.00 H new ATOM 0 HA GLU A 49 6.671 9.781 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.272 8.210 4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.864 8.858 4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.291 7.071 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.522 6.501 5.440 1.00 0.00 H new ATOM 686 N SER A 50 6.301 11.102 3.837 1.00 0.00 N ATOM 687 CA SER A 50 6.596 12.283 3.033 1.00 0.00 C ATOM 688 C SER A 50 5.747 13.470 3.480 1.00 0.00 C ATOM 689 O SER A 50 4.531 13.355 3.629 1.00 0.00 O ATOM 690 CB SER A 50 6.347 11.993 1.552 1.00 0.00 C ATOM 691 OG SER A 50 4.987 11.673 1.316 1.00 0.00 O ATOM 0 H SER A 50 5.808 10.363 3.336 1.00 0.00 H new ATOM 0 HA SER A 50 7.647 12.536 3.175 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.628 12.861 0.956 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.980 11.166 1.229 1.00 0.00 H new ATOM 0 HG SER A 50 4.543 12.432 0.883 1.00 0.00 H new ATOM 697 N ASP A 51 6.398 14.607 3.691 1.00 0.00 N ATOM 698 CA ASP A 51 5.706 15.817 4.121 1.00 0.00 C ATOM 699 C ASP A 51 4.305 15.883 3.519 1.00 0.00 C ATOM 700 O ASP A 51 3.345 16.247 4.197 1.00 0.00 O ATOM 701 CB ASP A 51 6.505 17.058 3.720 1.00 0.00 C ATOM 702 CG ASP A 51 7.752 17.239 4.562 1.00 0.00 C ATOM 703 OD1 ASP A 51 8.370 16.219 4.936 1.00 0.00 O ATOM 704 OD2 ASP A 51 8.112 18.400 4.847 1.00 0.00 O ATOM 0 H ASP A 51 7.405 14.717 3.571 1.00 0.00 H new ATOM 0 HA ASP A 51 5.616 15.788 5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.787 16.982 2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.873 17.941 3.817 1.00 0.00 H new ATOM 709 N GLU A 52 4.198 15.530 2.242 1.00 0.00 N ATOM 710 CA GLU A 52 2.915 15.551 1.550 1.00 0.00 C ATOM 711 C GLU A 52 2.668 14.234 0.820 1.00 0.00 C ATOM 712 O GLU A 52 3.547 13.721 0.125 1.00 0.00 O ATOM 713 CB GLU A 52 2.865 16.713 0.555 1.00 0.00 C ATOM 714 CG GLU A 52 2.443 18.032 1.181 1.00 0.00 C ATOM 715 CD GLU A 52 3.616 18.823 1.726 1.00 0.00 C ATOM 716 OE1 GLU A 52 4.355 19.422 0.918 1.00 0.00 O ATOM 717 OE2 GLU A 52 3.795 18.841 2.962 1.00 0.00 O ATOM 0 H GLU A 52 4.983 15.226 1.666 1.00 0.00 H new ATOM 0 HA GLU A 52 2.132 15.686 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.848 16.834 0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.172 16.463 -0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.920 18.632 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.736 17.837 1.987 1.00 0.00 H new ATOM 724 N HIS A 53 1.467 13.690 0.983 1.00 0.00 N ATOM 725 CA HIS A 53 1.103 12.432 0.341 1.00 0.00 C ATOM 726 C HIS A 53 1.742 12.322 -1.041 1.00 0.00 C ATOM 727 O HIS A 53 1.264 12.918 -2.006 1.00 0.00 O ATOM 728 CB HIS A 53 -0.417 12.315 0.224 1.00 0.00 C ATOM 729 CG HIS A 53 -1.134 12.493 1.526 1.00 0.00 C ATOM 730 ND1 HIS A 53 -2.450 12.895 1.612 1.00 0.00 N ATOM 731 CD2 HIS A 53 -0.712 12.319 2.800 1.00 0.00 C ATOM 732 CE1 HIS A 53 -2.806 12.963 2.883 1.00 0.00 C ATOM 733 NE2 HIS A 53 -1.768 12.617 3.624 1.00 0.00 N ATOM 0 H HIS A 53 0.729 14.101 1.554 1.00 0.00 H new ATOM 0 HA HIS A 53 1.476 11.616 0.960 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.777 13.061 -0.484 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.667 11.337 -0.188 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.273 12.004 3.111 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.779 13.252 3.253 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.754 12.578 4.643 1.00 0.00 H new ATOM 741 N THR A 54 2.826 11.558 -1.127 1.00 0.00 N ATOM 742 CA THR A 54 3.531 11.371 -2.389 1.00 0.00 C ATOM 743 C THR A 54 3.800 9.895 -2.656 1.00 0.00 C ATOM 744 O THR A 54 4.574 9.256 -1.944 1.00 0.00 O ATOM 745 CB THR A 54 4.869 12.136 -2.403 1.00 0.00 C ATOM 746 OG1 THR A 54 4.636 13.534 -2.197 1.00 0.00 O ATOM 747 CG2 THR A 54 5.597 11.927 -3.721 1.00 0.00 C ATOM 0 H THR A 54 3.235 11.058 -0.337 1.00 0.00 H new ATOM 0 HA THR A 54 2.886 11.767 -3.173 1.00 0.00 H new ATOM 0 HB THR A 54 5.492 11.749 -1.597 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.509 13.707 -1.241 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.538 12.476 -3.708 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.798 10.865 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.977 12.290 -4.541 1.00 0.00 H new ATOM 755 N CYS A 55 3.156 9.359 -3.687 1.00 0.00 N ATOM 756 CA CYS A 55 3.326 7.957 -4.050 1.00 0.00 C ATOM 757 C CYS A 55 4.798 7.629 -4.280 1.00 0.00 C ATOM 758 O CYS A 55 5.503 8.310 -5.025 1.00 0.00 O ATOM 759 CB CYS A 55 2.518 7.633 -5.308 1.00 0.00 C ATOM 760 SG CYS A 55 1.827 5.948 -5.335 1.00 0.00 S ATOM 0 H CYS A 55 2.511 9.874 -4.286 1.00 0.00 H new ATOM 0 HA CYS A 55 2.961 7.347 -3.224 1.00 0.00 H new ATOM 0 HB2 CYS A 55 1.702 8.350 -5.397 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.157 7.766 -6.181 1.00 0.00 H new ATOM 765 N PRO A 56 5.275 6.560 -3.625 1.00 0.00 N ATOM 766 CA PRO A 56 6.667 6.116 -3.742 1.00 0.00 C ATOM 767 C PRO A 56 6.977 5.534 -5.117 1.00 0.00 C ATOM 768 O PRO A 56 8.140 5.352 -5.479 1.00 0.00 O ATOM 769 CB PRO A 56 6.786 5.036 -2.664 1.00 0.00 C ATOM 770 CG PRO A 56 5.398 4.527 -2.483 1.00 0.00 C ATOM 771 CD PRO A 56 4.492 5.702 -2.720 1.00 0.00 C ATOM 0 HA PRO A 56 7.370 6.940 -3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.462 4.240 -2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.182 5.446 -1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.183 3.721 -3.185 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.258 4.123 -1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.548 5.397 -3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.249 6.216 -1.790 1.00 0.00 H new ATOM 779 N THR A 57 5.928 5.242 -5.880 1.00 0.00 N ATOM 780 CA THR A 57 6.088 4.680 -7.215 1.00 0.00 C ATOM 781 C THR A 57 5.821 5.728 -8.289 1.00 0.00 C ATOM 782 O THR A 57 6.459 5.730 -9.342 1.00 0.00 O ATOM 783 CB THR A 57 5.144 3.482 -7.437 1.00 0.00 C ATOM 784 OG1 THR A 57 5.373 2.911 -8.730 1.00 0.00 O ATOM 785 CG2 THR A 57 3.689 3.910 -7.316 1.00 0.00 C ATOM 0 H THR A 57 4.959 5.386 -5.596 1.00 0.00 H new ATOM 0 HA THR A 57 7.121 4.339 -7.293 1.00 0.00 H new ATOM 0 HB THR A 57 5.352 2.737 -6.669 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.770 2.150 -8.863 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.042 3.048 -7.477 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.511 4.317 -6.321 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.470 4.672 -8.064 1.00 0.00 H new ATOM 793 N CYS A 58 4.874 6.620 -8.017 1.00 0.00 N ATOM 794 CA CYS A 58 4.522 7.676 -8.959 1.00 0.00 C ATOM 795 C CYS A 58 4.586 9.046 -8.291 1.00 0.00 C ATOM 796 O CYS A 58 4.570 9.151 -7.064 1.00 0.00 O ATOM 797 CB CYS A 58 3.121 7.436 -9.524 1.00 0.00 C ATOM 798 SG CYS A 58 1.774 7.827 -8.362 1.00 0.00 S ATOM 0 H CYS A 58 4.336 6.632 -7.151 1.00 0.00 H new ATOM 0 HA CYS A 58 5.244 7.657 -9.775 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.996 8.038 -10.424 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.036 6.392 -9.824 1.00 0.00 H new ATOM 803 N HIS A 59 4.661 10.093 -9.106 1.00 0.00 N ATOM 804 CA HIS A 59 4.726 11.457 -8.594 1.00 0.00 C ATOM 805 C HIS A 59 3.336 12.082 -8.533 1.00 0.00 C ATOM 806 O HIS A 59 2.960 12.868 -9.402 1.00 0.00 O ATOM 807 CB HIS A 59 5.643 12.310 -9.473 1.00 0.00 C ATOM 808 CG HIS A 59 5.439 13.783 -9.297 1.00 0.00 C ATOM 809 ND1 HIS A 59 5.586 14.691 -10.325 1.00 0.00 N ATOM 810 CD2 HIS A 59 5.095 14.506 -8.205 1.00 0.00 C ATOM 811 CE1 HIS A 59 5.344 15.908 -9.872 1.00 0.00 C ATOM 812 NE2 HIS A 59 5.043 15.823 -8.589 1.00 0.00 N ATOM 0 H HIS A 59 4.678 10.023 -10.123 1.00 0.00 H new ATOM 0 HA HIS A 59 5.133 11.421 -7.583 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.681 12.065 -9.246 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.475 12.050 -10.518 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.898 14.119 -7.216 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.385 16.818 -10.452 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.810 16.609 -7.982 1.00 0.00 H new ATOM 820 N GLN A 60 2.577 11.725 -7.502 1.00 0.00 N ATOM 821 CA GLN A 60 1.228 12.250 -7.328 1.00 0.00 C ATOM 822 C GLN A 60 1.247 13.543 -6.519 1.00 0.00 C ATOM 823 O GLN A 60 2.304 14.003 -6.091 1.00 0.00 O ATOM 824 CB GLN A 60 0.340 11.214 -6.637 1.00 0.00 C ATOM 825 CG GLN A 60 -1.111 11.256 -7.092 1.00 0.00 C ATOM 826 CD GLN A 60 -1.247 11.443 -8.591 1.00 0.00 C ATOM 827 OE1 GLN A 60 -1.343 10.473 -9.343 1.00 0.00 O ATOM 828 NE2 GLN A 60 -1.256 12.695 -9.032 1.00 0.00 N ATOM 0 H GLN A 60 2.873 11.074 -6.775 1.00 0.00 H new ATOM 0 HA GLN A 60 0.819 12.467 -8.315 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.743 10.219 -6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.379 11.375 -5.560 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.607 10.331 -6.799 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.625 12.069 -6.580 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.174 13.469 -8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.345 12.883 -10.030 1.00 0.00 H new ATOM 837 N ASN A 61 0.069 14.123 -6.312 1.00 0.00 N ATOM 838 CA ASN A 61 -0.051 15.364 -5.555 1.00 0.00 C ATOM 839 C ASN A 61 -1.213 15.290 -4.570 1.00 0.00 C ATOM 840 O ASN A 61 -2.374 15.445 -4.951 1.00 0.00 O ATOM 841 CB ASN A 61 -0.245 16.548 -6.503 1.00 0.00 C ATOM 842 CG ASN A 61 0.309 16.277 -7.888 1.00 0.00 C ATOM 843 OD1 ASN A 61 -0.370 16.489 -8.893 1.00 0.00 O ATOM 844 ND2 ASN A 61 1.549 15.804 -7.947 1.00 0.00 N ATOM 0 H ASN A 61 -0.816 13.753 -6.658 1.00 0.00 H new ATOM 0 HA ASN A 61 0.871 15.507 -4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.308 16.779 -6.579 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.244 17.428 -6.085 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.975 15.601 -8.851 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.075 15.643 -7.088 1.00 0.00 H new ATOM 851 N ASP A 62 -0.893 15.053 -3.302 1.00 0.00 N ATOM 852 CA ASP A 62 -1.911 14.960 -2.262 1.00 0.00 C ATOM 853 C ASP A 62 -2.881 13.818 -2.550 1.00 0.00 C ATOM 854 O ASP A 62 -4.093 14.020 -2.610 1.00 0.00 O ATOM 855 CB ASP A 62 -2.676 16.279 -2.147 1.00 0.00 C ATOM 856 CG ASP A 62 -3.427 16.402 -0.836 1.00 0.00 C ATOM 857 OD1 ASP A 62 -3.818 15.357 -0.278 1.00 0.00 O ATOM 858 OD2 ASP A 62 -3.623 17.544 -0.369 1.00 0.00 O ATOM 0 H ASP A 62 0.063 14.922 -2.970 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.410 14.756 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.977 17.110 -2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.381 16.360 -2.975 1.00 0.00 H new ATOM 863 N VAL A 63 -2.338 12.618 -2.729 1.00 0.00 N ATOM 864 CA VAL A 63 -3.154 11.443 -3.011 1.00 0.00 C ATOM 865 C VAL A 63 -4.353 11.369 -2.071 1.00 0.00 C ATOM 866 O VAL A 63 -4.258 11.729 -0.898 1.00 0.00 O ATOM 867 CB VAL A 63 -2.335 10.146 -2.883 1.00 0.00 C ATOM 868 CG1 VAL A 63 -3.199 8.935 -3.201 1.00 0.00 C ATOM 869 CG2 VAL A 63 -1.116 10.195 -3.791 1.00 0.00 C ATOM 0 H VAL A 63 -1.336 12.434 -2.684 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.506 11.541 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.989 10.055 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.603 8.027 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.037 8.893 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.577 9.015 -4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.548 9.270 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.438 10.310 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.487 11.040 -3.511 1.00 0.00 H new ATOM 879 N SER A 64 -5.481 10.901 -2.596 1.00 0.00 N ATOM 880 CA SER A 64 -6.700 10.782 -1.804 1.00 0.00 C ATOM 881 C SER A 64 -6.751 9.439 -1.082 1.00 0.00 C ATOM 882 O SER A 64 -6.928 8.384 -1.691 1.00 0.00 O ATOM 883 CB SER A 64 -7.931 10.938 -2.699 1.00 0.00 C ATOM 884 OG SER A 64 -8.051 9.850 -3.599 1.00 0.00 O ATOM 0 H SER A 64 -5.576 10.598 -3.565 1.00 0.00 H new ATOM 0 HA SER A 64 -6.697 11.576 -1.058 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.827 11.003 -2.082 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.861 11.871 -3.259 1.00 0.00 H new ATOM 0 HG SER A 64 -7.676 9.043 -3.188 1.00 0.00 H new ATOM 890 N PRO A 65 -6.590 9.478 0.249 1.00 0.00 N ATOM 891 CA PRO A 65 -6.614 8.274 1.085 1.00 0.00 C ATOM 892 C PRO A 65 -8.005 7.656 1.172 1.00 0.00 C ATOM 893 O PRO A 65 -8.223 6.692 1.907 1.00 0.00 O ATOM 894 CB PRO A 65 -6.170 8.786 2.457 1.00 0.00 C ATOM 895 CG PRO A 65 -6.537 10.230 2.460 1.00 0.00 C ATOM 896 CD PRO A 65 -6.375 10.701 1.041 1.00 0.00 C ATOM 0 HA PRO A 65 -5.978 7.486 0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.672 8.248 3.261 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.098 8.650 2.603 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.562 10.372 2.804 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.894 10.795 3.135 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.100 11.475 0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.385 11.123 0.868 1.00 0.00 H new ATOM 904 N ASP A 66 -8.945 8.215 0.416 1.00 0.00 N ATOM 905 CA ASP A 66 -10.315 7.718 0.407 1.00 0.00 C ATOM 906 C ASP A 66 -10.547 6.785 -0.777 1.00 0.00 C ATOM 907 O ASP A 66 -11.321 5.832 -0.689 1.00 0.00 O ATOM 908 CB ASP A 66 -11.303 8.884 0.355 1.00 0.00 C ATOM 909 CG ASP A 66 -12.747 8.421 0.380 1.00 0.00 C ATOM 910 OD1 ASP A 66 -13.113 7.573 -0.460 1.00 0.00 O ATOM 911 OD2 ASP A 66 -13.511 8.908 1.240 1.00 0.00 O ATOM 0 H ASP A 66 -8.782 9.013 -0.198 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.477 7.156 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.122 9.547 1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.127 9.466 -0.550 1.00 0.00 H new ATOM 916 N ALA A 67 -9.871 7.066 -1.886 1.00 0.00 N ATOM 917 CA ALA A 67 -10.002 6.252 -3.089 1.00 0.00 C ATOM 918 C ALA A 67 -9.161 4.984 -2.987 1.00 0.00 C ATOM 919 O ALA A 67 -8.435 4.632 -3.918 1.00 0.00 O ATOM 920 CB ALA A 67 -9.602 7.056 -4.317 1.00 0.00 C ATOM 0 H ALA A 67 -9.227 7.851 -1.977 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.047 5.957 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.705 6.436 -5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.248 7.929 -4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.566 7.380 -4.218 1.00 0.00 H new ATOM 926 N LEU A 68 -9.263 4.301 -1.852 1.00 0.00 N ATOM 927 CA LEU A 68 -8.511 3.072 -1.628 1.00 0.00 C ATOM 928 C LEU A 68 -9.450 1.895 -1.385 1.00 0.00 C ATOM 929 O LEU A 68 -10.438 2.016 -0.661 1.00 0.00 O ATOM 930 CB LEU A 68 -7.565 3.238 -0.438 1.00 0.00 C ATOM 931 CG LEU A 68 -6.530 4.358 -0.554 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.835 4.584 0.779 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.513 4.033 -1.639 1.00 0.00 C ATOM 0 H LEU A 68 -9.860 4.578 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.925 2.867 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.164 3.416 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.037 2.297 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.047 5.277 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.102 5.384 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.573 4.862 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.331 3.668 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.784 4.840 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.002 3.103 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.024 3.923 -2.595 1.00 0.00 H new ATOM 945 N SER A 69 -9.135 0.756 -1.993 1.00 0.00 N ATOM 946 CA SER A 69 -9.952 -0.443 -1.844 1.00 0.00 C ATOM 947 C SER A 69 -10.507 -0.549 -0.427 1.00 0.00 C ATOM 948 O SER A 69 -11.679 -0.864 -0.230 1.00 0.00 O ATOM 949 CB SER A 69 -9.131 -1.690 -2.178 1.00 0.00 C ATOM 950 OG SER A 69 -9.973 -2.800 -2.437 1.00 0.00 O ATOM 0 H SER A 69 -8.319 0.638 -2.594 1.00 0.00 H new ATOM 0 HA SER A 69 -10.789 -0.372 -2.539 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.504 -1.494 -3.048 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.463 -1.922 -1.349 1.00 0.00 H new ATOM 0 HG SER A 69 -9.425 -3.584 -2.649 1.00 0.00 H new ATOM 956 N GLY A 70 -9.654 -0.282 0.557 1.00 0.00 N ATOM 957 CA GLY A 70 -10.076 -0.353 1.944 1.00 0.00 C ATOM 958 C GLY A 70 -10.911 0.842 2.358 1.00 0.00 C ATOM 959 O GLY A 70 -10.427 1.972 2.425 1.00 0.00 O ATOM 0 H GLY A 70 -8.679 -0.018 0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.651 -1.266 2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.197 -0.418 2.585 1.00 0.00 H new ATOM 963 N PRO A 71 -12.200 0.599 2.642 1.00 0.00 N ATOM 964 CA PRO A 71 -13.132 1.652 3.055 1.00 0.00 C ATOM 965 C PRO A 71 -12.822 2.186 4.450 1.00 0.00 C ATOM 966 O PRO A 71 -13.127 1.540 5.453 1.00 0.00 O ATOM 967 CB PRO A 71 -14.491 0.948 3.040 1.00 0.00 C ATOM 968 CG PRO A 71 -14.173 -0.493 3.248 1.00 0.00 C ATOM 969 CD PRO A 71 -12.844 -0.723 2.583 1.00 0.00 C ATOM 0 HA PRO A 71 -13.081 2.522 2.401 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -15.142 1.327 3.827 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.009 1.107 2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -14.125 -0.733 4.310 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.943 -1.130 2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.258 -1.479 3.106 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.963 -1.067 1.555 1.00 0.00 H new ATOM 977 N SER A 72 -12.217 3.367 4.505 1.00 0.00 N ATOM 978 CA SER A 72 -11.864 3.987 5.778 1.00 0.00 C ATOM 979 C SER A 72 -13.108 4.504 6.494 1.00 0.00 C ATOM 980 O SER A 72 -13.747 5.454 6.044 1.00 0.00 O ATOM 981 CB SER A 72 -10.876 5.133 5.555 1.00 0.00 C ATOM 982 OG SER A 72 -9.568 4.641 5.323 1.00 0.00 O ATOM 0 H SER A 72 -11.961 3.915 3.684 1.00 0.00 H new ATOM 0 HA SER A 72 -11.394 3.229 6.405 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.198 5.734 4.705 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.872 5.789 6.426 1.00 0.00 H new ATOM 0 HG SER A 72 -8.956 5.393 5.182 1.00 0.00 H new ATOM 988 N SER A 73 -13.445 3.871 7.614 1.00 0.00 N ATOM 989 CA SER A 73 -14.614 4.263 8.391 1.00 0.00 C ATOM 990 C SER A 73 -14.199 4.872 9.726 1.00 0.00 C ATOM 991 O SER A 73 -13.280 4.387 10.383 1.00 0.00 O ATOM 992 CB SER A 73 -15.524 3.056 8.628 1.00 0.00 C ATOM 993 OG SER A 73 -14.873 2.073 9.413 1.00 0.00 O ATOM 0 H SER A 73 -12.924 3.085 8.003 1.00 0.00 H new ATOM 0 HA SER A 73 -15.162 5.015 7.823 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.438 3.378 9.127 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.819 2.625 7.671 1.00 0.00 H new ATOM 0 HG SER A 73 -15.476 1.313 9.552 1.00 0.00 H new ATOM 999 N GLY A 74 -14.885 5.940 10.122 1.00 0.00 N ATOM 1000 CA GLY A 74 -14.574 6.598 11.377 1.00 0.00 C ATOM 1001 C GLY A 74 -15.520 6.200 12.492 1.00 0.00 C ATOM 1002 O GLY A 74 -16.404 5.376 12.261 1.00 0.00 O ATOM 0 H GLY A 74 -15.651 6.361 9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.552 6.354 11.668 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.616 7.678 11.237 1.00 0.00 H new TER 1006 GLY A 74 HETATM 1007 ZN ZN A 201 3.998 -3.760 2.898 1.00 0.00 ZN HETATM 1008 ZN ZN A 401 0.784 5.881 -7.407 1.00 0.00 ZN