USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=17 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 36 ASN : amide:sc= -3.05 K(o=-2.9,f=-3.6!) USER MOD Set 1.2: A 38 TYR OH : rot 100:sc= 0.0513 USER MOD Set 1.3: A 57 THR OG1 : rot -163:sc= 0.0543 USER MOD Set 2.1: A 25 MET CE :methyl -119:sc= -3.55! (180deg=-4.4!) USER MOD Set 2.2: A 37 SER OG : rot 26:sc= 0.533! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.729) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.603 X(o=-0.6,f=-0.24) USER MOD Single : A 54 THR OG1 : rot 75:sc= 1.18 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.5!) USER MOD Single : A 61 ASN : amide:sc= 1.05 K(o=1,f=-0.046) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.527 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 16.822 -37.208 -8.323 1.00 0.00 N ATOM 2 CA GLY A 1 17.285 -37.114 -6.951 1.00 0.00 C ATOM 3 C GLY A 1 16.268 -37.637 -5.956 1.00 0.00 C ATOM 4 O GLY A 1 16.270 -38.821 -5.621 1.00 0.00 O ATOM 0 H1 GLY A 1 17.554 -36.838 -8.962 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.629 -38.203 -8.557 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.951 -36.651 -8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.213 -37.675 -6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.513 -36.074 -6.719 1.00 0.00 H new ATOM 8 N SER A 2 15.395 -36.752 -5.484 1.00 0.00 N ATOM 9 CA SER A 2 14.370 -37.130 -4.518 1.00 0.00 C ATOM 10 C SER A 2 13.251 -37.916 -5.194 1.00 0.00 C ATOM 11 O SER A 2 12.940 -37.694 -6.365 1.00 0.00 O ATOM 12 CB SER A 2 13.797 -35.885 -3.838 1.00 0.00 C ATOM 13 OG SER A 2 14.647 -35.437 -2.797 1.00 0.00 O ATOM 0 H SER A 2 15.377 -35.769 -5.755 1.00 0.00 H new ATOM 0 HA SER A 2 14.832 -37.766 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.668 -35.091 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.809 -36.109 -3.435 1.00 0.00 H new ATOM 0 HG SER A 2 14.260 -34.639 -2.379 1.00 0.00 H new ATOM 19 N SER A 3 12.648 -38.836 -4.447 1.00 0.00 N ATOM 20 CA SER A 3 11.565 -39.659 -4.974 1.00 0.00 C ATOM 21 C SER A 3 10.216 -38.977 -4.767 1.00 0.00 C ATOM 22 O SER A 3 9.791 -38.746 -3.636 1.00 0.00 O ATOM 23 CB SER A 3 11.565 -41.031 -4.300 1.00 0.00 C ATOM 24 OG SER A 3 10.536 -41.855 -4.821 1.00 0.00 O ATOM 0 H SER A 3 12.891 -39.030 -3.476 1.00 0.00 H new ATOM 0 HA SER A 3 11.727 -39.789 -6.044 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.531 -41.513 -4.449 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.430 -40.912 -3.225 1.00 0.00 H new ATOM 0 HG SER A 3 10.558 -42.727 -4.375 1.00 0.00 H new ATOM 30 N GLY A 4 9.546 -38.657 -5.870 1.00 0.00 N ATOM 31 CA GLY A 4 8.251 -38.006 -5.789 1.00 0.00 C ATOM 32 C GLY A 4 8.180 -36.750 -6.635 1.00 0.00 C ATOM 33 O GLY A 4 9.090 -36.467 -7.415 1.00 0.00 O ATOM 0 H GLY A 4 9.877 -38.837 -6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.477 -38.702 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.039 -37.753 -4.750 1.00 0.00 H new ATOM 37 N SER A 5 7.097 -35.995 -6.481 1.00 0.00 N ATOM 38 CA SER A 5 6.909 -34.765 -7.241 1.00 0.00 C ATOM 39 C SER A 5 7.273 -33.545 -6.400 1.00 0.00 C ATOM 40 O SER A 5 7.936 -32.625 -6.877 1.00 0.00 O ATOM 41 CB SER A 5 5.461 -34.654 -7.722 1.00 0.00 C ATOM 42 OG SER A 5 5.352 -33.753 -8.810 1.00 0.00 O ATOM 0 H SER A 5 6.337 -36.213 -5.837 1.00 0.00 H new ATOM 0 HA SER A 5 7.570 -34.798 -8.107 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.098 -35.637 -8.022 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.827 -34.317 -6.902 1.00 0.00 H new ATOM 0 HG SER A 5 4.417 -33.701 -9.100 1.00 0.00 H new ATOM 48 N SER A 6 6.832 -33.547 -5.146 1.00 0.00 N ATOM 49 CA SER A 6 7.108 -32.440 -4.238 1.00 0.00 C ATOM 50 C SER A 6 8.592 -32.377 -3.891 1.00 0.00 C ATOM 51 O SER A 6 9.061 -33.071 -2.990 1.00 0.00 O ATOM 52 CB SER A 6 6.280 -32.583 -2.959 1.00 0.00 C ATOM 53 OG SER A 6 4.911 -32.312 -3.205 1.00 0.00 O ATOM 0 H SER A 6 6.283 -34.302 -4.736 1.00 0.00 H new ATOM 0 HA SER A 6 6.831 -31.514 -4.741 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.389 -33.593 -2.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.658 -31.900 -2.199 1.00 0.00 H new ATOM 0 HG SER A 6 4.403 -32.412 -2.373 1.00 0.00 H new ATOM 59 N GLY A 7 9.328 -31.539 -4.616 1.00 0.00 N ATOM 60 CA GLY A 7 10.751 -31.399 -4.372 1.00 0.00 C ATOM 61 C GLY A 7 11.122 -30.016 -3.878 1.00 0.00 C ATOM 62 O GLY A 7 11.101 -29.753 -2.675 1.00 0.00 O ATOM 0 H GLY A 7 8.963 -30.955 -5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.065 -32.140 -3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.297 -31.611 -5.291 1.00 0.00 H new ATOM 66 N GLU A 8 11.465 -29.129 -4.806 1.00 0.00 N ATOM 67 CA GLU A 8 11.845 -27.765 -4.457 1.00 0.00 C ATOM 68 C GLU A 8 10.611 -26.911 -4.176 1.00 0.00 C ATOM 69 O GLU A 8 9.560 -27.099 -4.789 1.00 0.00 O ATOM 70 CB GLU A 8 12.667 -27.136 -5.584 1.00 0.00 C ATOM 71 CG GLU A 8 11.888 -26.948 -6.875 1.00 0.00 C ATOM 72 CD GLU A 8 10.800 -25.899 -6.752 1.00 0.00 C ATOM 73 OE1 GLU A 8 11.079 -24.819 -6.191 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.670 -26.158 -7.216 1.00 0.00 O ATOM 0 H GLU A 8 11.488 -29.330 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 8 12.452 -27.805 -3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.042 -26.168 -5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.536 -27.764 -5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.575 -26.662 -7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.440 -27.898 -7.167 1.00 0.00 H new ATOM 81 N ASP A 9 10.747 -25.974 -3.245 1.00 0.00 N ATOM 82 CA ASP A 9 9.645 -25.090 -2.883 1.00 0.00 C ATOM 83 C ASP A 9 10.064 -23.628 -2.987 1.00 0.00 C ATOM 84 O ASP A 9 11.253 -23.308 -2.955 1.00 0.00 O ATOM 85 CB ASP A 9 9.165 -25.396 -1.463 1.00 0.00 C ATOM 86 CG ASP A 9 8.283 -26.627 -1.403 1.00 0.00 C ATOM 87 OD1 ASP A 9 8.618 -27.630 -2.068 1.00 0.00 O ATOM 88 OD2 ASP A 9 7.259 -26.589 -0.690 1.00 0.00 O ATOM 0 H ASP A 9 11.610 -25.807 -2.727 1.00 0.00 H new ATOM 0 HA ASP A 9 8.827 -25.265 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.029 -25.539 -0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.614 -24.539 -1.076 1.00 0.00 H new ATOM 93 N ASP A 10 9.081 -22.744 -3.115 1.00 0.00 N ATOM 94 CA ASP A 10 9.347 -21.314 -3.224 1.00 0.00 C ATOM 95 C ASP A 10 8.373 -20.512 -2.366 1.00 0.00 C ATOM 96 O ASP A 10 7.200 -20.859 -2.226 1.00 0.00 O ATOM 97 CB ASP A 10 9.250 -20.866 -4.683 1.00 0.00 C ATOM 98 CG ASP A 10 10.186 -21.639 -5.590 1.00 0.00 C ATOM 99 OD1 ASP A 10 9.787 -22.719 -6.073 1.00 0.00 O ATOM 100 OD2 ASP A 10 11.319 -21.164 -5.817 1.00 0.00 O ATOM 0 H ASP A 10 8.092 -22.992 -3.146 1.00 0.00 H new ATOM 0 HA ASP A 10 10.358 -21.129 -2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.225 -20.992 -5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.480 -19.803 -4.749 1.00 0.00 H new ATOM 105 N PRO A 11 8.870 -19.414 -1.777 1.00 0.00 N ATOM 106 CA PRO A 11 8.060 -18.541 -0.922 1.00 0.00 C ATOM 107 C PRO A 11 7.013 -17.763 -1.712 1.00 0.00 C ATOM 108 O PRO A 11 7.125 -17.617 -2.931 1.00 0.00 O ATOM 109 CB PRO A 11 9.090 -17.585 -0.313 1.00 0.00 C ATOM 110 CG PRO A 11 10.211 -17.564 -1.294 1.00 0.00 C ATOM 111 CD PRO A 11 10.258 -18.940 -1.899 1.00 0.00 C ATOM 0 HA PRO A 11 7.494 -19.107 -0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.670 -16.589 -0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.425 -17.933 0.664 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.045 -16.806 -2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.154 -17.321 -0.804 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.583 -18.911 -2.939 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.953 -19.590 -1.366 1.00 0.00 H new ATOM 119 N ILE A 12 6.000 -17.266 -1.013 1.00 0.00 N ATOM 120 CA ILE A 12 4.934 -16.501 -1.651 1.00 0.00 C ATOM 121 C ILE A 12 5.502 -15.486 -2.638 1.00 0.00 C ATOM 122 O ILE A 12 6.396 -14.703 -2.316 1.00 0.00 O ATOM 123 CB ILE A 12 4.072 -15.762 -0.612 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.373 -16.765 0.309 1.00 0.00 C ATOM 125 CG2 ILE A 12 3.051 -14.873 -1.306 1.00 0.00 C ATOM 126 CD1 ILE A 12 2.799 -16.139 1.560 1.00 0.00 C ATOM 0 H ILE A 12 5.894 -17.378 -0.005 1.00 0.00 H new ATOM 0 HA ILE A 12 4.309 -17.216 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 12 4.722 -15.131 -0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.571 -17.255 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.084 -17.541 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.449 -14.357 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.568 -14.139 -1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.403 -15.485 -1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.319 -16.909 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.600 -15.673 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.064 -15.383 1.284 1.00 0.00 H new ATOM 138 N PRO A 13 4.969 -15.497 -3.869 1.00 0.00 N ATOM 139 CA PRO A 13 5.406 -14.582 -4.928 1.00 0.00 C ATOM 140 C PRO A 13 4.992 -13.140 -4.656 1.00 0.00 C ATOM 141 O PRO A 13 4.087 -12.884 -3.861 1.00 0.00 O ATOM 142 CB PRO A 13 4.695 -15.116 -6.174 1.00 0.00 C ATOM 143 CG PRO A 13 3.494 -15.825 -5.650 1.00 0.00 C ATOM 144 CD PRO A 13 3.901 -16.403 -4.322 1.00 0.00 C ATOM 0 HA PRO A 13 6.492 -14.553 -5.019 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.414 -14.306 -6.847 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.338 -15.791 -6.738 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.655 -15.139 -5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.174 -16.610 -6.336 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.067 -16.424 -3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.259 -17.428 -4.422 1.00 0.00 H new ATOM 152 N ASP A 14 5.657 -12.202 -5.320 1.00 0.00 N ATOM 153 CA ASP A 14 5.357 -10.785 -5.150 1.00 0.00 C ATOM 154 C ASP A 14 3.932 -10.475 -5.596 1.00 0.00 C ATOM 155 O ASP A 14 3.167 -9.843 -4.869 1.00 0.00 O ATOM 156 CB ASP A 14 6.350 -9.933 -5.942 1.00 0.00 C ATOM 157 CG ASP A 14 5.873 -9.650 -7.353 1.00 0.00 C ATOM 158 OD1 ASP A 14 5.815 -10.601 -8.162 1.00 0.00 O ATOM 159 OD2 ASP A 14 5.559 -8.478 -7.649 1.00 0.00 O ATOM 0 H ASP A 14 6.408 -12.397 -5.982 1.00 0.00 H new ATOM 0 HA ASP A 14 5.448 -10.544 -4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.512 -8.990 -5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.312 -10.444 -5.982 1.00 0.00 H new ATOM 164 N GLU A 15 3.582 -10.923 -6.799 1.00 0.00 N ATOM 165 CA GLU A 15 2.250 -10.690 -7.342 1.00 0.00 C ATOM 166 C GLU A 15 1.190 -10.797 -6.249 1.00 0.00 C ATOM 167 O GLU A 15 0.137 -10.163 -6.326 1.00 0.00 O ATOM 168 CB GLU A 15 1.948 -11.692 -8.459 1.00 0.00 C ATOM 169 CG GLU A 15 1.678 -13.101 -7.956 1.00 0.00 C ATOM 170 CD GLU A 15 1.193 -14.028 -9.053 1.00 0.00 C ATOM 171 OE1 GLU A 15 2.045 -14.587 -9.776 1.00 0.00 O ATOM 172 OE2 GLU A 15 -0.036 -14.196 -9.189 1.00 0.00 O ATOM 0 H GLU A 15 4.203 -11.449 -7.414 1.00 0.00 H new ATOM 0 HA GLU A 15 2.225 -9.680 -7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.083 -11.345 -9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.790 -11.717 -9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.590 -13.508 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.933 -13.063 -7.162 1.00 0.00 H new ATOM 179 N LEU A 16 1.476 -11.602 -5.233 1.00 0.00 N ATOM 180 CA LEU A 16 0.548 -11.792 -4.123 1.00 0.00 C ATOM 181 C LEU A 16 0.854 -10.822 -2.986 1.00 0.00 C ATOM 182 O LEU A 16 -0.055 -10.327 -2.318 1.00 0.00 O ATOM 183 CB LEU A 16 0.622 -13.233 -3.613 1.00 0.00 C ATOM 184 CG LEU A 16 -0.287 -14.240 -4.316 1.00 0.00 C ATOM 185 CD1 LEU A 16 -0.045 -15.643 -3.781 1.00 0.00 C ATOM 186 CD2 LEU A 16 -1.748 -13.849 -4.148 1.00 0.00 C ATOM 0 H LEU A 16 2.343 -12.134 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.460 -11.592 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.652 -13.577 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.379 -13.234 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.049 -14.233 -5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.701 -16.346 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.994 -15.924 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.254 -15.666 -2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.380 -14.578 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.999 -13.827 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.913 -12.862 -4.581 1.00 0.00 H new ATOM 198 N LEU A 17 2.137 -10.552 -2.773 1.00 0.00 N ATOM 199 CA LEU A 17 2.562 -9.639 -1.718 1.00 0.00 C ATOM 200 C LEU A 17 2.694 -8.216 -2.251 1.00 0.00 C ATOM 201 O LEU A 17 2.567 -7.977 -3.452 1.00 0.00 O ATOM 202 CB LEU A 17 3.895 -10.099 -1.125 1.00 0.00 C ATOM 203 CG LEU A 17 3.905 -11.495 -0.500 1.00 0.00 C ATOM 204 CD1 LEU A 17 5.311 -12.075 -0.513 1.00 0.00 C ATOM 205 CD2 LEU A 17 3.357 -11.449 0.918 1.00 0.00 C ATOM 0 H LEU A 17 2.901 -10.952 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 17 1.802 -9.646 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.649 -10.069 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.199 -9.380 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 17 3.261 -12.143 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.299 -13.068 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.666 -12.145 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.977 -11.427 0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.372 -12.451 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.973 -10.786 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.333 -11.077 0.900 1.00 0.00 H new ATOM 217 N CYS A 18 2.952 -7.274 -1.350 1.00 0.00 N ATOM 218 CA CYS A 18 3.104 -5.874 -1.728 1.00 0.00 C ATOM 219 C CYS A 18 4.503 -5.606 -2.274 1.00 0.00 C ATOM 220 O CYS A 18 5.411 -6.425 -2.115 1.00 0.00 O ATOM 221 CB CYS A 18 2.831 -4.967 -0.526 1.00 0.00 C ATOM 222 SG CYS A 18 4.126 -5.018 0.753 1.00 0.00 S ATOM 0 H CYS A 18 3.060 -7.455 -0.352 1.00 0.00 H new ATOM 0 HA CYS A 18 2.379 -5.655 -2.512 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.722 -3.941 -0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.880 -5.254 -0.077 1.00 0.00 H new ATOM 227 N LEU A 19 4.671 -4.456 -2.917 1.00 0.00 N ATOM 228 CA LEU A 19 5.960 -4.079 -3.487 1.00 0.00 C ATOM 229 C LEU A 19 6.721 -3.152 -2.545 1.00 0.00 C ATOM 230 O LEU A 19 7.437 -2.253 -2.988 1.00 0.00 O ATOM 231 CB LEU A 19 5.762 -3.399 -4.842 1.00 0.00 C ATOM 232 CG LEU A 19 4.737 -4.044 -5.775 1.00 0.00 C ATOM 233 CD1 LEU A 19 4.382 -3.101 -6.913 1.00 0.00 C ATOM 234 CD2 LEU A 19 5.266 -5.364 -6.317 1.00 0.00 C ATOM 0 H LEU A 19 3.931 -3.768 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 19 6.547 -4.987 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.464 -2.365 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.723 -3.371 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 19 3.831 -4.246 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.651 -3.578 -7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.960 -2.182 -6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.280 -2.866 -7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.523 -5.809 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.187 -5.186 -6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.467 -6.043 -5.488 1.00 0.00 H new ATOM 246 N ILE A 20 6.564 -3.378 -1.246 1.00 0.00 N ATOM 247 CA ILE A 20 7.239 -2.565 -0.242 1.00 0.00 C ATOM 248 C ILE A 20 7.967 -3.438 0.775 1.00 0.00 C ATOM 249 O ILE A 20 9.194 -3.532 0.763 1.00 0.00 O ATOM 250 CB ILE A 20 6.247 -1.650 0.500 1.00 0.00 C ATOM 251 CG1 ILE A 20 5.760 -0.532 -0.424 1.00 0.00 C ATOM 252 CG2 ILE A 20 6.897 -1.067 1.748 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.631 0.287 0.161 1.00 0.00 C ATOM 0 H ILE A 20 5.975 -4.118 -0.863 1.00 0.00 H new ATOM 0 HA ILE A 20 7.965 -1.948 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 20 5.386 -2.244 0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.596 0.129 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.431 -0.969 -1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.184 -0.422 2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.199 -1.876 2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.773 -0.484 1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.337 1.061 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.779 -0.361 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.962 0.753 1.089 1.00 0.00 H new ATOM 265 N CYS A 21 7.201 -4.078 1.653 1.00 0.00 N ATOM 266 CA CYS A 21 7.771 -4.945 2.677 1.00 0.00 C ATOM 267 C CYS A 21 7.620 -6.413 2.290 1.00 0.00 C ATOM 268 O CYS A 21 8.176 -7.299 2.941 1.00 0.00 O ATOM 269 CB CYS A 21 7.097 -4.689 4.026 1.00 0.00 C ATOM 270 SG CYS A 21 5.339 -5.163 4.080 1.00 0.00 S ATOM 0 H CYS A 21 6.183 -4.012 1.675 1.00 0.00 H new ATOM 0 HA CYS A 21 8.833 -4.717 2.762 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.634 -5.239 4.799 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.184 -3.630 4.269 1.00 0.00 H new ATOM 275 N LYS A 22 6.864 -6.665 1.228 1.00 0.00 N ATOM 276 CA LYS A 22 6.639 -8.025 0.752 1.00 0.00 C ATOM 277 C LYS A 22 5.925 -8.860 1.810 1.00 0.00 C ATOM 278 O LYS A 22 6.398 -9.931 2.193 1.00 0.00 O ATOM 279 CB LYS A 22 7.969 -8.683 0.380 1.00 0.00 C ATOM 280 CG LYS A 22 8.729 -7.946 -0.709 1.00 0.00 C ATOM 281 CD LYS A 22 8.052 -8.097 -2.061 1.00 0.00 C ATOM 282 CE LYS A 22 8.647 -9.249 -2.857 1.00 0.00 C ATOM 283 NZ LYS A 22 7.942 -10.531 -2.587 1.00 0.00 N ATOM 0 H LYS A 22 6.396 -5.944 0.679 1.00 0.00 H new ATOM 0 HA LYS A 22 6.006 -7.974 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.595 -8.745 1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.780 -9.705 0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.800 -6.889 -0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.748 -8.329 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.985 -8.265 -1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.156 -7.171 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.592 -9.021 -3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.703 -9.356 -2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.114 -11.194 -3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.297 -10.943 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.921 -10.354 -2.502 1.00 0.00 H new ATOM 297 N ASP A 23 4.785 -8.365 2.278 1.00 0.00 N ATOM 298 CA ASP A 23 4.005 -9.067 3.290 1.00 0.00 C ATOM 299 C ASP A 23 2.533 -9.136 2.891 1.00 0.00 C ATOM 300 O ASP A 23 1.999 -8.203 2.291 1.00 0.00 O ATOM 301 CB ASP A 23 4.146 -8.374 4.645 1.00 0.00 C ATOM 302 CG ASP A 23 5.495 -8.630 5.289 1.00 0.00 C ATOM 303 OD1 ASP A 23 5.985 -9.776 5.203 1.00 0.00 O ATOM 304 OD2 ASP A 23 6.059 -7.685 5.877 1.00 0.00 O ATOM 0 H ASP A 23 4.380 -7.480 1.973 1.00 0.00 H new ATOM 0 HA ASP A 23 4.390 -10.084 3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.006 -7.301 4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.357 -8.722 5.311 1.00 0.00 H new ATOM 309 N ILE A 24 1.885 -10.247 3.227 1.00 0.00 N ATOM 310 CA ILE A 24 0.477 -10.436 2.903 1.00 0.00 C ATOM 311 C ILE A 24 -0.330 -9.177 3.201 1.00 0.00 C ATOM 312 O ILE A 24 -0.317 -8.670 4.322 1.00 0.00 O ATOM 313 CB ILE A 24 -0.126 -11.617 3.688 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.633 -12.908 3.373 1.00 0.00 C ATOM 315 CG2 ILE A 24 -1.603 -11.771 3.358 1.00 0.00 C ATOM 316 CD1 ILE A 24 0.470 -13.976 4.430 1.00 0.00 C ATOM 0 H ILE A 24 2.313 -11.029 3.723 1.00 0.00 H new ATOM 0 HA ILE A 24 0.424 -10.653 1.836 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.030 -11.413 4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.287 -13.299 2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.693 -12.679 3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.016 -12.609 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.133 -10.857 3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.720 -11.957 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.035 -14.863 4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.842 -13.603 5.384 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.585 -14.233 4.528 1.00 0.00 H new ATOM 328 N MET A 25 -1.033 -8.678 2.189 1.00 0.00 N ATOM 329 CA MET A 25 -1.849 -7.479 2.343 1.00 0.00 C ATOM 330 C MET A 25 -3.237 -7.831 2.870 1.00 0.00 C ATOM 331 O MET A 25 -4.172 -8.039 2.095 1.00 0.00 O ATOM 332 CB MET A 25 -1.967 -6.742 1.008 1.00 0.00 C ATOM 333 CG MET A 25 -0.627 -6.455 0.351 1.00 0.00 C ATOM 334 SD MET A 25 -0.021 -7.845 -0.625 1.00 0.00 S ATOM 335 CE MET A 25 -0.678 -7.436 -2.240 1.00 0.00 C ATOM 0 H MET A 25 -1.054 -9.085 1.254 1.00 0.00 H new ATOM 0 HA MET A 25 -1.361 -6.826 3.067 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.576 -7.336 0.327 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.493 -5.801 1.167 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.721 -5.579 -0.291 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.105 -6.209 1.120 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.355 -8.225 -2.568 1.00 0.00 H new ATOM 0 HE2 MET A 25 -1.220 -6.492 -2.184 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.141 -7.342 -2.953 1.00 0.00 H new ATOM 345 N THR A 26 -3.365 -7.895 4.191 1.00 0.00 N ATOM 346 CA THR A 26 -4.639 -8.223 4.820 1.00 0.00 C ATOM 347 C THR A 26 -5.772 -7.392 4.230 1.00 0.00 C ATOM 348 O THR A 26 -6.831 -7.921 3.892 1.00 0.00 O ATOM 349 CB THR A 26 -4.588 -7.995 6.343 1.00 0.00 C ATOM 350 OG1 THR A 26 -5.855 -8.319 6.928 1.00 0.00 O ATOM 351 CG2 THR A 26 -4.231 -6.552 6.662 1.00 0.00 C ATOM 0 H THR A 26 -2.602 -7.724 4.847 1.00 0.00 H new ATOM 0 HA THR A 26 -4.827 -9.279 4.625 1.00 0.00 H new ATOM 0 HB THR A 26 -3.818 -8.644 6.761 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.815 -8.173 7.896 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.201 -6.415 7.743 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.254 -6.317 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.981 -5.888 6.233 1.00 0.00 H new ATOM 359 N ASP A 27 -5.543 -6.089 4.109 1.00 0.00 N ATOM 360 CA ASP A 27 -6.547 -5.185 3.558 1.00 0.00 C ATOM 361 C ASP A 27 -6.012 -4.470 2.321 1.00 0.00 C ATOM 362 O ASP A 27 -6.243 -3.275 2.134 1.00 0.00 O ATOM 363 CB ASP A 27 -6.973 -4.161 4.610 1.00 0.00 C ATOM 364 CG ASP A 27 -7.542 -4.813 5.856 1.00 0.00 C ATOM 365 OD1 ASP A 27 -8.601 -5.464 5.753 1.00 0.00 O ATOM 366 OD2 ASP A 27 -6.927 -4.670 6.934 1.00 0.00 O ATOM 0 H ASP A 27 -4.672 -5.635 4.385 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.415 -5.777 3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.115 -3.548 4.884 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.719 -3.492 4.181 1.00 0.00 H new ATOM 371 N ALA A 28 -5.295 -5.208 1.480 1.00 0.00 N ATOM 372 CA ALA A 28 -4.729 -4.645 0.262 1.00 0.00 C ATOM 373 C ALA A 28 -5.620 -3.541 -0.299 1.00 0.00 C ATOM 374 O ALA A 28 -6.846 -3.634 -0.249 1.00 0.00 O ATOM 375 CB ALA A 28 -4.521 -5.736 -0.778 1.00 0.00 C ATOM 0 H ALA A 28 -5.093 -6.198 1.621 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.763 -4.206 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.097 -5.300 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.838 -6.489 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.478 -6.202 -1.013 1.00 0.00 H new ATOM 381 N VAL A 29 -4.995 -2.497 -0.833 1.00 0.00 N ATOM 382 CA VAL A 29 -5.732 -1.375 -1.403 1.00 0.00 C ATOM 383 C VAL A 29 -5.133 -0.947 -2.739 1.00 0.00 C ATOM 384 O VAL A 29 -3.925 -0.745 -2.854 1.00 0.00 O ATOM 385 CB VAL A 29 -5.742 -0.167 -0.448 1.00 0.00 C ATOM 386 CG1 VAL A 29 -6.630 -0.444 0.755 1.00 0.00 C ATOM 387 CG2 VAL A 29 -4.327 0.178 -0.008 1.00 0.00 C ATOM 0 H VAL A 29 -3.980 -2.404 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.756 -1.715 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.151 0.691 -0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.624 0.421 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.649 -0.637 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.254 -1.315 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.354 1.034 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.888 -0.676 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.724 0.424 -0.882 1.00 0.00 H new ATOM 397 N VAL A 30 -5.990 -0.810 -3.747 1.00 0.00 N ATOM 398 CA VAL A 30 -5.546 -0.405 -5.076 1.00 0.00 C ATOM 399 C VAL A 30 -5.615 1.110 -5.239 1.00 0.00 C ATOM 400 O VAL A 30 -6.698 1.695 -5.245 1.00 0.00 O ATOM 401 CB VAL A 30 -6.395 -1.068 -6.176 1.00 0.00 C ATOM 402 CG1 VAL A 30 -5.979 -0.562 -7.550 1.00 0.00 C ATOM 403 CG2 VAL A 30 -6.278 -2.582 -6.100 1.00 0.00 C ATOM 0 H VAL A 30 -6.994 -0.973 -3.669 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.511 -0.732 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.439 -0.799 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.590 -1.042 -8.315 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.119 0.518 -7.598 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.929 -0.799 -7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.885 -3.034 -6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.236 -2.874 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.629 -2.926 -5.127 1.00 0.00 H new ATOM 413 N ILE A 31 -4.452 1.738 -5.373 1.00 0.00 N ATOM 414 CA ILE A 31 -4.379 3.185 -5.538 1.00 0.00 C ATOM 415 C ILE A 31 -4.891 3.607 -6.911 1.00 0.00 C ATOM 416 O ILE A 31 -4.575 2.997 -7.934 1.00 0.00 O ATOM 417 CB ILE A 31 -2.940 3.700 -5.359 1.00 0.00 C ATOM 418 CG1 ILE A 31 -2.950 5.170 -4.933 1.00 0.00 C ATOM 419 CG2 ILE A 31 -2.149 3.522 -6.646 1.00 0.00 C ATOM 420 CD1 ILE A 31 -1.588 5.695 -4.536 1.00 0.00 C ATOM 0 H ILE A 31 -3.547 1.268 -5.371 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.011 3.623 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.457 3.117 -4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.338 5.774 -5.753 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.636 5.292 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.133 3.891 -6.503 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.117 2.465 -6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.629 4.082 -7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.672 6.742 -4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.206 5.116 -3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.904 5.606 -5.380 1.00 0.00 H new ATOM 432 N PRO A 32 -5.700 4.676 -6.938 1.00 0.00 N ATOM 433 CA PRO A 32 -6.272 5.206 -8.180 1.00 0.00 C ATOM 434 C PRO A 32 -5.219 5.857 -9.071 1.00 0.00 C ATOM 435 O PRO A 32 -5.131 5.563 -10.262 1.00 0.00 O ATOM 436 CB PRO A 32 -7.277 6.250 -7.690 1.00 0.00 C ATOM 437 CG PRO A 32 -6.769 6.670 -6.354 1.00 0.00 C ATOM 438 CD PRO A 32 -6.118 5.452 -5.758 1.00 0.00 C ATOM 0 HA PRO A 32 -6.716 4.421 -8.792 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.334 7.096 -8.375 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.280 5.830 -7.618 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.055 7.488 -6.447 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.582 7.027 -5.722 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.268 5.718 -5.130 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.812 4.890 -5.133 1.00 0.00 H new ATOM 446 N CYS A 33 -4.420 6.743 -8.484 1.00 0.00 N ATOM 447 CA CYS A 33 -3.373 7.436 -9.224 1.00 0.00 C ATOM 448 C CYS A 33 -2.825 6.558 -10.344 1.00 0.00 C ATOM 449 O CYS A 33 -2.764 6.973 -11.503 1.00 0.00 O ATOM 450 CB CYS A 33 -2.240 7.847 -8.282 1.00 0.00 C ATOM 451 SG CYS A 33 -1.475 6.455 -7.390 1.00 0.00 S ATOM 0 H CYS A 33 -4.478 6.997 -7.498 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.809 8.330 -9.669 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.471 8.362 -8.858 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.627 8.562 -7.556 1.00 0.00 H new ATOM 456 N CYS A 34 -2.428 5.339 -9.992 1.00 0.00 N ATOM 457 CA CYS A 34 -1.885 4.400 -10.965 1.00 0.00 C ATOM 458 C CYS A 34 -2.487 3.010 -10.776 1.00 0.00 C ATOM 459 O CYS A 34 -3.051 2.434 -11.706 1.00 0.00 O ATOM 460 CB CYS A 34 -0.361 4.328 -10.842 1.00 0.00 C ATOM 461 SG CYS A 34 0.230 3.923 -9.166 1.00 0.00 S ATOM 0 H CYS A 34 -2.473 4.979 -9.039 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.146 4.758 -11.961 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.014 3.579 -11.539 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.063 5.286 -11.144 1.00 0.00 H new ATOM 466 N GLY A 35 -2.364 2.479 -9.564 1.00 0.00 N ATOM 467 CA GLY A 35 -2.902 1.161 -9.273 1.00 0.00 C ATOM 468 C GLY A 35 -1.826 0.175 -8.863 1.00 0.00 C ATOM 469 O GLY A 35 -1.099 -0.348 -9.706 1.00 0.00 O ATOM 0 H GLY A 35 -1.902 2.937 -8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.641 1.241 -8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.422 0.782 -10.152 1.00 0.00 H new ATOM 473 N ASN A 36 -1.724 -0.079 -7.562 1.00 0.00 N ATOM 474 CA ASN A 36 -0.729 -1.009 -7.041 1.00 0.00 C ATOM 475 C ASN A 36 -1.225 -1.676 -5.762 1.00 0.00 C ATOM 476 O ASN A 36 -2.234 -1.268 -5.188 1.00 0.00 O ATOM 477 CB ASN A 36 0.589 -0.279 -6.771 1.00 0.00 C ATOM 478 CG ASN A 36 1.242 0.224 -8.044 1.00 0.00 C ATOM 479 OD1 ASN A 36 1.231 -0.456 -9.072 1.00 0.00 O ATOM 480 ND2 ASN A 36 1.815 1.420 -7.983 1.00 0.00 N ATOM 0 H ASN A 36 -2.318 0.346 -6.850 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.562 -1.782 -7.791 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.405 0.563 -6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.275 -0.951 -6.255 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.270 1.810 -8.808 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.800 1.949 -7.111 1.00 0.00 H new ATOM 487 N SER A 37 -0.506 -2.704 -5.321 1.00 0.00 N ATOM 488 CA SER A 37 -0.874 -3.430 -4.111 1.00 0.00 C ATOM 489 C SER A 37 0.053 -3.066 -2.955 1.00 0.00 C ATOM 490 O SER A 37 1.271 -3.216 -3.051 1.00 0.00 O ATOM 491 CB SER A 37 -0.826 -4.939 -4.362 1.00 0.00 C ATOM 492 OG SER A 37 0.509 -5.390 -4.507 1.00 0.00 O ATOM 0 H SER A 37 0.334 -3.052 -5.783 1.00 0.00 H new ATOM 0 HA SER A 37 -1.891 -3.145 -3.842 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.302 -5.464 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.394 -5.179 -5.261 1.00 0.00 H new ATOM 0 HG SER A 37 1.112 -4.786 -4.025 1.00 0.00 H new ATOM 498 N TYR A 38 -0.533 -2.587 -1.863 1.00 0.00 N ATOM 499 CA TYR A 38 0.239 -2.199 -0.690 1.00 0.00 C ATOM 500 C TYR A 38 -0.538 -2.482 0.593 1.00 0.00 C ATOM 501 O TYR A 38 -1.769 -2.436 0.610 1.00 0.00 O ATOM 502 CB TYR A 38 0.603 -0.715 -0.761 1.00 0.00 C ATOM 503 CG TYR A 38 1.410 -0.347 -1.985 1.00 0.00 C ATOM 504 CD1 TYR A 38 2.645 -0.936 -2.230 1.00 0.00 C ATOM 505 CD2 TYR A 38 0.939 0.589 -2.897 1.00 0.00 C ATOM 506 CE1 TYR A 38 3.386 -0.603 -3.347 1.00 0.00 C ATOM 507 CE2 TYR A 38 1.673 0.927 -4.017 1.00 0.00 C ATOM 508 CZ TYR A 38 2.896 0.329 -4.237 1.00 0.00 C ATOM 509 OH TYR A 38 3.631 0.663 -5.352 1.00 0.00 O ATOM 0 H TYR A 38 -1.540 -2.458 -1.767 1.00 0.00 H new ATOM 0 HA TYR A 38 1.154 -2.791 -0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.313 -0.124 -0.749 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.168 -0.445 0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.032 -1.667 -1.535 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.018 1.061 -2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.344 -1.070 -3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.291 1.656 -4.717 1.00 0.00 H new ATOM 0 HH TYR A 38 3.282 0.181 -6.131 1.00 0.00 H new ATOM 519 N CYS A 39 0.189 -2.774 1.665 1.00 0.00 N ATOM 520 CA CYS A 39 -0.429 -3.066 2.953 1.00 0.00 C ATOM 521 C CYS A 39 -1.156 -1.839 3.497 1.00 0.00 C ATOM 522 O CYS A 39 -0.641 -0.722 3.436 1.00 0.00 O ATOM 523 CB CYS A 39 0.627 -3.532 3.956 1.00 0.00 C ATOM 524 SG CYS A 39 1.693 -4.877 3.342 1.00 0.00 S ATOM 0 H CYS A 39 1.208 -2.815 1.668 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.157 -3.864 2.806 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.253 -2.683 4.229 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.127 -3.865 4.865 1.00 0.00 H new ATOM 529 N ASP A 40 -2.355 -2.056 4.028 1.00 0.00 N ATOM 530 CA ASP A 40 -3.152 -0.969 4.585 1.00 0.00 C ATOM 531 C ASP A 40 -2.261 0.067 5.263 1.00 0.00 C ATOM 532 O ASP A 40 -2.556 1.260 5.244 1.00 0.00 O ATOM 533 CB ASP A 40 -4.173 -1.517 5.584 1.00 0.00 C ATOM 534 CG ASP A 40 -3.622 -1.582 6.996 1.00 0.00 C ATOM 535 OD1 ASP A 40 -3.675 -0.552 7.701 1.00 0.00 O ATOM 536 OD2 ASP A 40 -3.140 -2.662 7.394 1.00 0.00 O ATOM 0 H ASP A 40 -2.796 -2.974 4.084 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.682 -0.483 3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.063 -0.887 5.573 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.484 -2.514 5.272 1.00 0.00 H new ATOM 541 N GLU A 41 -1.171 -0.401 5.864 1.00 0.00 N ATOM 542 CA GLU A 41 -0.239 0.486 6.551 1.00 0.00 C ATOM 543 C GLU A 41 0.878 0.934 5.612 1.00 0.00 C ATOM 544 O GLU A 41 1.329 2.078 5.668 1.00 0.00 O ATOM 545 CB GLU A 41 0.358 -0.213 7.774 1.00 0.00 C ATOM 546 CG GLU A 41 0.826 -1.632 7.495 1.00 0.00 C ATOM 547 CD GLU A 41 -0.242 -2.667 7.785 1.00 0.00 C ATOM 548 OE1 GLU A 41 -0.889 -2.571 8.848 1.00 0.00 O ATOM 549 OE2 GLU A 41 -0.431 -3.575 6.948 1.00 0.00 O ATOM 0 H GLU A 41 -0.912 -1.387 5.889 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.791 1.367 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.200 0.373 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.387 -0.235 8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.130 -1.712 6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.707 -1.845 8.100 1.00 0.00 H new ATOM 556 N CYS A 42 1.318 0.024 4.750 1.00 0.00 N ATOM 557 CA CYS A 42 2.382 0.322 3.799 1.00 0.00 C ATOM 558 C CYS A 42 2.074 1.599 3.022 1.00 0.00 C ATOM 559 O CYS A 42 2.910 2.499 2.931 1.00 0.00 O ATOM 560 CB CYS A 42 2.571 -0.845 2.829 1.00 0.00 C ATOM 561 SG CYS A 42 3.875 -2.018 3.321 1.00 0.00 S ATOM 0 H CYS A 42 0.954 -0.927 4.690 1.00 0.00 H new ATOM 0 HA CYS A 42 3.305 0.471 4.360 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.628 -1.384 2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.808 -0.448 1.842 1.00 0.00 H new ATOM 566 N ILE A 43 0.871 1.670 2.464 1.00 0.00 N ATOM 567 CA ILE A 43 0.452 2.836 1.697 1.00 0.00 C ATOM 568 C ILE A 43 0.068 3.991 2.616 1.00 0.00 C ATOM 569 O ILE A 43 0.105 5.155 2.217 1.00 0.00 O ATOM 570 CB ILE A 43 -0.738 2.507 0.777 1.00 0.00 C ATOM 571 CG1 ILE A 43 -1.005 3.669 -0.183 1.00 0.00 C ATOM 572 CG2 ILE A 43 -1.977 2.202 1.604 1.00 0.00 C ATOM 573 CD1 ILE A 43 0.074 3.851 -1.227 1.00 0.00 C ATOM 0 H ILE A 43 0.169 0.933 2.529 1.00 0.00 H new ATOM 0 HA ILE A 43 1.303 3.132 1.084 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.490 1.623 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.959 3.504 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.102 4.590 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.810 1.971 0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.781 1.347 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.229 3.069 2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.182 4.692 -1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.027 4.047 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.156 2.945 -1.828 1.00 0.00 H new ATOM 585 N ARG A 44 -0.302 3.659 3.849 1.00 0.00 N ATOM 586 CA ARG A 44 -0.693 4.668 4.826 1.00 0.00 C ATOM 587 C ARG A 44 0.518 5.462 5.304 1.00 0.00 C ATOM 588 O ARG A 44 0.608 6.672 5.090 1.00 0.00 O ATOM 589 CB ARG A 44 -1.388 4.010 6.019 1.00 0.00 C ATOM 590 CG ARG A 44 -1.958 5.006 7.017 1.00 0.00 C ATOM 591 CD ARG A 44 -0.945 5.355 8.095 1.00 0.00 C ATOM 592 NE ARG A 44 -0.574 4.192 8.896 1.00 0.00 N ATOM 593 CZ ARG A 44 -1.374 3.633 9.797 1.00 0.00 C ATOM 594 NH1 ARG A 44 -2.585 4.130 10.011 1.00 0.00 N ATOM 595 NH2 ARG A 44 -0.965 2.575 10.485 1.00 0.00 N ATOM 0 H ARG A 44 -0.339 2.700 4.195 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.387 5.355 4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.194 3.373 5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.677 3.362 6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.262 5.913 6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.853 4.589 7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.053 5.775 7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.359 6.126 8.745 1.00 0.00 H new ATOM 0 HE ARG A 44 0.351 3.786 8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.903 4.943 9.483 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.198 3.699 10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.035 2.189 10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.581 2.147 11.176 1.00 0.00 H new ATOM 609 N THR A 45 1.452 4.773 5.954 1.00 0.00 N ATOM 610 CA THR A 45 2.658 5.413 6.465 1.00 0.00 C ATOM 611 C THR A 45 3.370 6.197 5.369 1.00 0.00 C ATOM 612 O THR A 45 3.725 7.360 5.555 1.00 0.00 O ATOM 613 CB THR A 45 3.634 4.380 7.058 1.00 0.00 C ATOM 614 OG1 THR A 45 2.973 3.602 8.062 1.00 0.00 O ATOM 615 CG2 THR A 45 4.850 5.067 7.659 1.00 0.00 C ATOM 0 H THR A 45 1.396 3.771 6.139 1.00 0.00 H new ATOM 0 HA THR A 45 2.343 6.098 7.252 1.00 0.00 H new ATOM 0 HB THR A 45 3.968 3.725 6.254 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.600 2.946 8.433 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.525 4.317 8.072 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.367 5.634 6.885 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.531 5.743 8.452 1.00 0.00 H new ATOM 623 N ALA A 46 3.576 5.552 4.224 1.00 0.00 N ATOM 624 CA ALA A 46 4.243 6.191 3.097 1.00 0.00 C ATOM 625 C ALA A 46 3.705 7.598 2.866 1.00 0.00 C ATOM 626 O ALA A 46 4.471 8.543 2.670 1.00 0.00 O ATOM 627 CB ALA A 46 4.079 5.348 1.841 1.00 0.00 C ATOM 0 H ALA A 46 3.290 4.588 4.054 1.00 0.00 H new ATOM 0 HA ALA A 46 5.304 6.271 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.582 5.837 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.518 4.364 2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.019 5.239 1.612 1.00 0.00 H new ATOM 633 N LEU A 47 2.383 7.732 2.889 1.00 0.00 N ATOM 634 CA LEU A 47 1.742 9.026 2.681 1.00 0.00 C ATOM 635 C LEU A 47 2.147 10.016 3.768 1.00 0.00 C ATOM 636 O LEU A 47 2.447 11.177 3.486 1.00 0.00 O ATOM 637 CB LEU A 47 0.221 8.866 2.663 1.00 0.00 C ATOM 638 CG LEU A 47 -0.378 8.290 1.379 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.881 8.105 1.527 1.00 0.00 C ATOM 640 CD2 LEU A 47 -0.064 9.189 0.193 1.00 0.00 C ATOM 0 H LEU A 47 1.735 6.961 3.049 1.00 0.00 H new ATOM 0 HA LEU A 47 2.072 9.417 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.067 8.223 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.229 9.842 2.844 1.00 0.00 H new ATOM 0 HG LEU A 47 0.072 7.314 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.290 7.694 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.084 7.420 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.348 9.068 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.498 8.763 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.485 10.180 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.016 9.270 0.074 1.00 0.00 H new ATOM 652 N LEU A 48 2.156 9.550 5.013 1.00 0.00 N ATOM 653 CA LEU A 48 2.527 10.393 6.144 1.00 0.00 C ATOM 654 C LEU A 48 4.004 10.767 6.082 1.00 0.00 C ATOM 655 O LEU A 48 4.353 11.943 5.987 1.00 0.00 O ATOM 656 CB LEU A 48 2.224 9.676 7.460 1.00 0.00 C ATOM 657 CG LEU A 48 0.829 9.903 8.042 1.00 0.00 C ATOM 658 CD1 LEU A 48 -0.225 9.213 7.190 1.00 0.00 C ATOM 659 CD2 LEU A 48 0.763 9.406 9.480 1.00 0.00 C ATOM 0 H LEU A 48 1.910 8.592 5.264 1.00 0.00 H new ATOM 0 HA LEU A 48 1.938 11.308 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.362 8.606 7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.960 9.991 8.200 1.00 0.00 H new ATOM 0 HG LEU A 48 0.626 10.974 8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.211 9.386 7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.195 9.616 6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.025 8.142 7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.237 9.576 9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.988 8.340 9.507 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.491 9.946 10.085 1.00 0.00 H new ATOM 671 N GLU A 49 4.867 9.757 6.136 1.00 0.00 N ATOM 672 CA GLU A 49 6.307 9.981 6.085 1.00 0.00 C ATOM 673 C GLU A 49 6.673 10.915 4.935 1.00 0.00 C ATOM 674 O GLU A 49 7.224 11.995 5.149 1.00 0.00 O ATOM 675 CB GLU A 49 7.048 8.650 5.930 1.00 0.00 C ATOM 676 CG GLU A 49 7.424 8.006 7.254 1.00 0.00 C ATOM 677 CD GLU A 49 6.328 8.127 8.295 1.00 0.00 C ATOM 678 OE1 GLU A 49 5.140 8.033 7.918 1.00 0.00 O ATOM 679 OE2 GLU A 49 6.656 8.314 9.485 1.00 0.00 O ATOM 0 H GLU A 49 4.594 8.777 6.215 1.00 0.00 H new ATOM 0 HA GLU A 49 6.608 10.450 7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.423 7.959 5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.953 8.813 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.649 6.952 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.334 8.471 7.634 1.00 0.00 H new ATOM 686 N SER A 50 6.361 10.491 3.714 1.00 0.00 N ATOM 687 CA SER A 50 6.660 11.287 2.530 1.00 0.00 C ATOM 688 C SER A 50 6.396 12.767 2.788 1.00 0.00 C ATOM 689 O SER A 50 5.246 13.207 2.823 1.00 0.00 O ATOM 690 CB SER A 50 5.823 10.807 1.342 1.00 0.00 C ATOM 691 OG SER A 50 6.262 11.403 0.134 1.00 0.00 O ATOM 0 H SER A 50 5.902 9.601 3.519 1.00 0.00 H new ATOM 0 HA SER A 50 7.717 11.161 2.296 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.890 9.722 1.261 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.774 11.050 1.511 1.00 0.00 H new ATOM 0 HG SER A 50 5.712 11.079 -0.609 1.00 0.00 H new ATOM 697 N ASP A 51 7.468 13.530 2.968 1.00 0.00 N ATOM 698 CA ASP A 51 7.353 14.961 3.223 1.00 0.00 C ATOM 699 C ASP A 51 6.264 15.582 2.356 1.00 0.00 C ATOM 700 O ASP A 51 5.424 16.338 2.844 1.00 0.00 O ATOM 701 CB ASP A 51 8.691 15.656 2.960 1.00 0.00 C ATOM 702 CG ASP A 51 9.765 15.236 3.942 1.00 0.00 C ATOM 703 OD1 ASP A 51 9.551 15.397 5.161 1.00 0.00 O ATOM 704 OD2 ASP A 51 10.822 14.744 3.491 1.00 0.00 O ATOM 0 H ASP A 51 8.426 13.182 2.942 1.00 0.00 H new ATOM 0 HA ASP A 51 7.080 15.098 4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.021 15.430 1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.553 16.736 3.017 1.00 0.00 H new ATOM 709 N GLU A 52 6.284 15.258 1.066 1.00 0.00 N ATOM 710 CA GLU A 52 5.298 15.787 0.131 1.00 0.00 C ATOM 711 C GLU A 52 4.471 14.660 -0.481 1.00 0.00 C ATOM 712 O GLU A 52 4.908 13.992 -1.418 1.00 0.00 O ATOM 713 CB GLU A 52 5.989 16.586 -0.975 1.00 0.00 C ATOM 714 CG GLU A 52 6.352 18.004 -0.567 1.00 0.00 C ATOM 715 CD GLU A 52 7.691 18.081 0.139 1.00 0.00 C ATOM 716 OE1 GLU A 52 8.698 17.627 -0.443 1.00 0.00 O ATOM 717 OE2 GLU A 52 7.732 18.599 1.276 1.00 0.00 O ATOM 0 H GLU A 52 6.971 14.633 0.646 1.00 0.00 H new ATOM 0 HA GLU A 52 4.629 16.448 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.895 16.061 -1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.335 16.624 -1.846 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.375 18.639 -1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.576 18.400 0.088 1.00 0.00 H new ATOM 724 N HIS A 53 3.272 14.455 0.056 1.00 0.00 N ATOM 725 CA HIS A 53 2.382 13.409 -0.436 1.00 0.00 C ATOM 726 C HIS A 53 2.544 13.224 -1.943 1.00 0.00 C ATOM 727 O HIS A 53 1.978 13.976 -2.736 1.00 0.00 O ATOM 728 CB HIS A 53 0.929 13.750 -0.106 1.00 0.00 C ATOM 729 CG HIS A 53 0.729 14.221 1.301 1.00 0.00 C ATOM 730 ND1 HIS A 53 0.477 15.537 1.626 1.00 0.00 N ATOM 731 CD2 HIS A 53 0.745 13.543 2.473 1.00 0.00 C ATOM 732 CE1 HIS A 53 0.347 15.648 2.936 1.00 0.00 C ATOM 733 NE2 HIS A 53 0.504 14.452 3.473 1.00 0.00 N ATOM 0 H HIS A 53 2.895 14.999 0.832 1.00 0.00 H new ATOM 0 HA HIS A 53 2.649 12.475 0.059 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.581 14.522 -0.792 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.310 12.869 -0.277 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.916 12.484 2.598 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.146 16.562 3.476 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.454 14.238 4.469 1.00 0.00 H new ATOM 741 N THR A 54 3.320 12.216 -2.330 1.00 0.00 N ATOM 742 CA THR A 54 3.557 11.933 -3.739 1.00 0.00 C ATOM 743 C THR A 54 3.793 10.444 -3.969 1.00 0.00 C ATOM 744 O THR A 54 4.819 9.898 -3.563 1.00 0.00 O ATOM 745 CB THR A 54 4.767 12.721 -4.275 1.00 0.00 C ATOM 746 OG1 THR A 54 4.561 14.124 -4.084 1.00 0.00 O ATOM 747 CG2 THR A 54 4.990 12.432 -5.752 1.00 0.00 C ATOM 0 H THR A 54 3.795 11.583 -1.687 1.00 0.00 H new ATOM 0 HA THR A 54 2.662 12.244 -4.278 1.00 0.00 H new ATOM 0 HB THR A 54 5.652 12.406 -3.722 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.688 14.347 -3.138 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.850 13.000 -6.108 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.176 11.367 -5.890 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.104 12.722 -6.317 1.00 0.00 H new ATOM 755 N CYS A 55 2.837 9.792 -4.623 1.00 0.00 N ATOM 756 CA CYS A 55 2.940 8.366 -4.907 1.00 0.00 C ATOM 757 C CYS A 55 4.392 7.963 -5.148 1.00 0.00 C ATOM 758 O CYS A 55 5.073 8.496 -6.025 1.00 0.00 O ATOM 759 CB CYS A 55 2.090 8.006 -6.126 1.00 0.00 C ATOM 760 SG CYS A 55 2.071 6.226 -6.520 1.00 0.00 S ATOM 0 H CYS A 55 1.982 10.229 -4.966 1.00 0.00 H new ATOM 0 HA CYS A 55 2.569 7.820 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 55 1.067 8.340 -5.954 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.463 8.555 -6.991 1.00 0.00 H new ATOM 765 N PRO A 56 4.878 6.999 -4.352 1.00 0.00 N ATOM 766 CA PRO A 56 6.253 6.502 -4.460 1.00 0.00 C ATOM 767 C PRO A 56 6.481 5.700 -5.736 1.00 0.00 C ATOM 768 O PRO A 56 7.529 5.077 -5.912 1.00 0.00 O ATOM 769 CB PRO A 56 6.403 5.603 -3.229 1.00 0.00 C ATOM 770 CG PRO A 56 5.014 5.170 -2.905 1.00 0.00 C ATOM 771 CD PRO A 56 4.123 6.320 -3.286 1.00 0.00 C ATOM 0 HA PRO A 56 6.978 7.315 -4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.045 4.748 -3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.854 6.143 -2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.747 4.269 -3.458 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.916 4.934 -1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.151 5.975 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.938 6.982 -2.440 1.00 0.00 H new ATOM 779 N THR A 57 5.493 5.717 -6.625 1.00 0.00 N ATOM 780 CA THR A 57 5.585 4.990 -7.885 1.00 0.00 C ATOM 781 C THR A 57 5.428 5.930 -9.075 1.00 0.00 C ATOM 782 O THR A 57 6.356 6.109 -9.864 1.00 0.00 O ATOM 783 CB THR A 57 4.518 3.883 -7.975 1.00 0.00 C ATOM 784 OG1 THR A 57 4.475 3.143 -6.749 1.00 0.00 O ATOM 785 CG2 THR A 57 4.811 2.940 -9.133 1.00 0.00 C ATOM 0 H THR A 57 4.619 6.227 -6.495 1.00 0.00 H new ATOM 0 HA THR A 57 6.574 4.533 -7.914 1.00 0.00 H new ATOM 0 HB THR A 57 3.551 4.355 -8.148 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.006 2.295 -6.895 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.044 2.167 -9.176 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.813 3.501 -10.067 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.786 2.476 -8.986 1.00 0.00 H new ATOM 793 N CYS A 58 4.248 6.528 -9.198 1.00 0.00 N ATOM 794 CA CYS A 58 3.968 7.451 -10.292 1.00 0.00 C ATOM 795 C CYS A 58 3.893 8.888 -9.785 1.00 0.00 C ATOM 796 O CYS A 58 3.852 9.131 -8.578 1.00 0.00 O ATOM 797 CB CYS A 58 2.658 7.072 -10.984 1.00 0.00 C ATOM 798 SG CYS A 58 1.165 7.488 -10.027 1.00 0.00 S ATOM 0 H CYS A 58 3.470 6.390 -8.553 1.00 0.00 H new ATOM 0 HA CYS A 58 4.784 7.381 -11.012 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.610 7.576 -11.949 1.00 0.00 H new ATOM 0 HB3 CYS A 58 2.662 6.000 -11.184 1.00 0.00 H new ATOM 803 N HIS A 59 3.871 9.838 -10.715 1.00 0.00 N ATOM 804 CA HIS A 59 3.798 11.252 -10.363 1.00 0.00 C ATOM 805 C HIS A 59 2.399 11.620 -9.884 1.00 0.00 C ATOM 806 O HIS A 59 1.477 11.768 -10.686 1.00 0.00 O ATOM 807 CB HIS A 59 4.185 12.117 -11.562 1.00 0.00 C ATOM 808 CG HIS A 59 5.634 12.021 -11.930 1.00 0.00 C ATOM 809 ND1 HIS A 59 6.069 11.687 -13.195 1.00 0.00 N ATOM 810 CD2 HIS A 59 6.749 12.219 -11.190 1.00 0.00 C ATOM 811 CE1 HIS A 59 7.389 11.681 -13.217 1.00 0.00 C ATOM 812 NE2 HIS A 59 7.827 12.001 -12.012 1.00 0.00 N ATOM 0 H HIS A 59 3.903 9.654 -11.718 1.00 0.00 H new ATOM 0 HA HIS A 59 4.500 11.437 -9.550 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.581 11.824 -12.421 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.943 13.157 -11.342 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.785 12.497 -10.147 1.00 0.00 H new ATOM 0 HE1 HIS A 59 8.006 11.453 -14.074 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.807 12.074 -11.737 1.00 0.00 H new ATOM 820 N GLN A 60 2.247 11.768 -8.572 1.00 0.00 N ATOM 821 CA GLN A 60 0.958 12.119 -7.987 1.00 0.00 C ATOM 822 C GLN A 60 1.083 13.346 -7.089 1.00 0.00 C ATOM 823 O GLN A 60 2.180 13.710 -6.670 1.00 0.00 O ATOM 824 CB GLN A 60 0.401 10.941 -7.184 1.00 0.00 C ATOM 825 CG GLN A 60 -1.115 10.933 -7.089 1.00 0.00 C ATOM 826 CD GLN A 60 -1.786 11.130 -8.435 1.00 0.00 C ATOM 827 OE1 GLN A 60 -1.216 10.808 -9.478 1.00 0.00 O ATOM 828 NE2 GLN A 60 -3.003 11.660 -8.419 1.00 0.00 N ATOM 0 H GLN A 60 3.000 11.650 -7.894 1.00 0.00 H new ATOM 0 HA GLN A 60 0.271 12.354 -8.800 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.733 10.010 -7.643 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.820 10.967 -6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.443 9.987 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.437 11.721 -6.408 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.438 11.912 -7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.503 11.815 -9.294 1.00 0.00 H new ATOM 837 N ASN A 61 -0.049 13.979 -6.801 1.00 0.00 N ATOM 838 CA ASN A 61 -0.065 15.166 -5.954 1.00 0.00 C ATOM 839 C ASN A 61 -1.166 15.069 -4.902 1.00 0.00 C ATOM 840 O ASN A 61 -2.339 15.309 -5.191 1.00 0.00 O ATOM 841 CB ASN A 61 -0.268 16.422 -6.805 1.00 0.00 C ATOM 842 CG ASN A 61 -1.056 16.142 -8.070 1.00 0.00 C ATOM 843 OD1 ASN A 61 -0.578 16.381 -9.179 1.00 0.00 O ATOM 844 ND2 ASN A 61 -2.273 15.634 -7.909 1.00 0.00 N ATOM 0 H ASN A 61 -0.966 13.690 -7.141 1.00 0.00 H new ATOM 0 HA ASN A 61 0.896 15.231 -5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.789 17.177 -6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.704 16.839 -7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.851 15.426 -8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.629 15.452 -6.971 1.00 0.00 H new ATOM 851 N ASP A 62 -0.779 14.716 -3.680 1.00 0.00 N ATOM 852 CA ASP A 62 -1.732 14.589 -2.584 1.00 0.00 C ATOM 853 C ASP A 62 -2.730 13.469 -2.860 1.00 0.00 C ATOM 854 O ASP A 62 -3.943 13.672 -2.785 1.00 0.00 O ATOM 855 CB ASP A 62 -2.474 15.909 -2.369 1.00 0.00 C ATOM 856 CG ASP A 62 -1.541 17.041 -1.984 1.00 0.00 C ATOM 857 OD1 ASP A 62 -1.272 17.204 -0.776 1.00 0.00 O ATOM 858 OD2 ASP A 62 -1.080 17.765 -2.892 1.00 0.00 O ATOM 0 H ASP A 62 0.187 14.513 -3.424 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.177 14.342 -1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.007 16.176 -3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.224 15.778 -1.589 1.00 0.00 H new ATOM 863 N VAL A 63 -2.213 12.287 -3.179 1.00 0.00 N ATOM 864 CA VAL A 63 -3.059 11.135 -3.466 1.00 0.00 C ATOM 865 C VAL A 63 -4.293 11.121 -2.570 1.00 0.00 C ATOM 866 O VAL A 63 -4.181 11.133 -1.344 1.00 0.00 O ATOM 867 CB VAL A 63 -2.290 9.813 -3.281 1.00 0.00 C ATOM 868 CG1 VAL A 63 -3.198 8.624 -3.551 1.00 0.00 C ATOM 869 CG2 VAL A 63 -1.068 9.778 -4.187 1.00 0.00 C ATOM 0 H VAL A 63 -1.212 12.102 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.370 11.224 -4.507 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.950 9.752 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.637 7.699 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.039 8.643 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.570 8.676 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.536 8.838 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.384 9.862 -5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.408 10.609 -3.940 1.00 0.00 H new ATOM 879 N SER A 64 -5.468 11.096 -3.189 1.00 0.00 N ATOM 880 CA SER A 64 -6.723 11.085 -2.447 1.00 0.00 C ATOM 881 C SER A 64 -6.883 9.782 -1.669 1.00 0.00 C ATOM 882 O SER A 64 -7.049 8.705 -2.240 1.00 0.00 O ATOM 883 CB SER A 64 -7.905 11.270 -3.401 1.00 0.00 C ATOM 884 OG SER A 64 -8.117 12.641 -3.691 1.00 0.00 O ATOM 0 H SER A 64 -5.578 11.083 -4.203 1.00 0.00 H new ATOM 0 HA SER A 64 -6.704 11.912 -1.737 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.719 10.724 -4.326 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.805 10.846 -2.956 1.00 0.00 H new ATOM 0 HG SER A 64 -8.876 12.732 -4.304 1.00 0.00 H new ATOM 890 N PRO A 65 -6.829 9.883 -0.332 1.00 0.00 N ATOM 891 CA PRO A 65 -6.966 8.724 0.554 1.00 0.00 C ATOM 892 C PRO A 65 -8.381 8.157 0.555 1.00 0.00 C ATOM 893 O PRO A 65 -8.588 6.976 0.835 1.00 0.00 O ATOM 894 CB PRO A 65 -6.615 9.288 1.933 1.00 0.00 C ATOM 895 CG PRO A 65 -6.926 10.742 1.837 1.00 0.00 C ATOM 896 CD PRO A 65 -6.632 11.135 0.416 1.00 0.00 C ATOM 0 HA PRO A 65 -6.329 7.896 0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.200 8.809 2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.565 9.123 2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.969 10.935 2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.318 11.318 2.535 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.304 11.920 0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.616 11.513 0.306 1.00 0.00 H new ATOM 904 N ASP A 66 -9.353 9.006 0.240 1.00 0.00 N ATOM 905 CA ASP A 66 -10.750 8.591 0.202 1.00 0.00 C ATOM 906 C ASP A 66 -11.105 8.002 -1.159 1.00 0.00 C ATOM 907 O ASP A 66 -12.239 8.124 -1.623 1.00 0.00 O ATOM 908 CB ASP A 66 -11.666 9.775 0.514 1.00 0.00 C ATOM 909 CG ASP A 66 -12.957 9.348 1.184 1.00 0.00 C ATOM 910 OD1 ASP A 66 -12.911 8.955 2.368 1.00 0.00 O ATOM 911 OD2 ASP A 66 -14.016 9.407 0.523 1.00 0.00 O ATOM 0 H ASP A 66 -9.199 9.987 0.007 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.895 7.821 0.960 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.140 10.477 1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.898 10.305 -0.410 1.00 0.00 H new ATOM 916 N ALA A 67 -10.129 7.362 -1.794 1.00 0.00 N ATOM 917 CA ALA A 67 -10.339 6.754 -3.102 1.00 0.00 C ATOM 918 C ALA A 67 -9.904 5.292 -3.104 1.00 0.00 C ATOM 919 O ALA A 67 -10.552 4.442 -3.715 1.00 0.00 O ATOM 920 CB ALA A 67 -9.587 7.530 -4.173 1.00 0.00 C ATOM 0 H ALA A 67 -9.185 7.251 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 67 -11.406 6.790 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.753 7.064 -5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.947 8.559 -4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.521 7.524 -3.946 1.00 0.00 H new ATOM 926 N LEU A 68 -8.805 5.006 -2.415 1.00 0.00 N ATOM 927 CA LEU A 68 -8.283 3.645 -2.337 1.00 0.00 C ATOM 928 C LEU A 68 -9.418 2.628 -2.306 1.00 0.00 C ATOM 929 O LEU A 68 -10.497 2.904 -1.782 1.00 0.00 O ATOM 930 CB LEU A 68 -7.404 3.486 -1.096 1.00 0.00 C ATOM 931 CG LEU A 68 -6.167 4.382 -1.029 1.00 0.00 C ATOM 932 CD1 LEU A 68 -5.682 4.516 0.407 1.00 0.00 C ATOM 933 CD2 LEU A 68 -5.062 3.832 -1.918 1.00 0.00 C ATOM 0 H LEU A 68 -8.258 5.698 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.680 3.461 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.016 3.679 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.079 2.447 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.439 5.373 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.801 5.157 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.470 4.956 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.427 3.531 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.189 4.482 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.792 2.830 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.412 3.789 -2.949 1.00 0.00 H new ATOM 945 N SER A 69 -9.166 1.450 -2.868 1.00 0.00 N ATOM 946 CA SER A 69 -10.168 0.392 -2.906 1.00 0.00 C ATOM 947 C SER A 69 -10.996 0.381 -1.624 1.00 0.00 C ATOM 948 O SER A 69 -12.226 0.373 -1.666 1.00 0.00 O ATOM 949 CB SER A 69 -9.496 -0.969 -3.103 1.00 0.00 C ATOM 950 OG SER A 69 -9.109 -1.155 -4.453 1.00 0.00 O ATOM 0 H SER A 69 -8.277 1.205 -3.303 1.00 0.00 H new ATOM 0 HA SER A 69 -10.834 0.587 -3.747 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.621 -1.043 -2.457 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.181 -1.763 -2.805 1.00 0.00 H new ATOM 0 HG SER A 69 -8.681 -2.031 -4.553 1.00 0.00 H new ATOM 956 N GLY A 70 -10.311 0.381 -0.485 1.00 0.00 N ATOM 957 CA GLY A 70 -10.998 0.371 0.794 1.00 0.00 C ATOM 958 C GLY A 70 -10.538 -0.761 1.691 1.00 0.00 C ATOM 959 O GLY A 70 -10.334 -1.890 1.245 1.00 0.00 O ATOM 0 H GLY A 70 -9.293 0.388 -0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.831 1.322 1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -12.071 0.284 0.626 1.00 0.00 H new ATOM 963 N PRO A 71 -10.368 -0.462 2.987 1.00 0.00 N ATOM 964 CA PRO A 71 -9.926 -1.450 3.976 1.00 0.00 C ATOM 965 C PRO A 71 -10.992 -2.504 4.258 1.00 0.00 C ATOM 966 O PRO A 71 -11.955 -2.250 4.981 1.00 0.00 O ATOM 967 CB PRO A 71 -9.663 -0.607 5.226 1.00 0.00 C ATOM 968 CG PRO A 71 -10.534 0.591 5.065 1.00 0.00 C ATOM 969 CD PRO A 71 -10.595 0.863 3.588 1.00 0.00 C ATOM 0 HA PRO A 71 -9.056 -2.010 3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.910 -1.157 6.134 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.613 -0.326 5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.529 0.407 5.469 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.125 1.446 5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.560 1.277 3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.834 1.580 3.280 1.00 0.00 H new ATOM 977 N SER A 72 -10.813 -3.688 3.682 1.00 0.00 N ATOM 978 CA SER A 72 -11.760 -4.781 3.870 1.00 0.00 C ATOM 979 C SER A 72 -12.330 -4.769 5.285 1.00 0.00 C ATOM 980 O SER A 72 -11.590 -4.865 6.264 1.00 0.00 O ATOM 981 CB SER A 72 -11.085 -6.125 3.590 1.00 0.00 C ATOM 982 OG SER A 72 -10.721 -6.238 2.225 1.00 0.00 O ATOM 0 H SER A 72 -10.021 -3.915 3.081 1.00 0.00 H new ATOM 0 HA SER A 72 -12.580 -4.642 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.198 -6.228 4.216 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.760 -6.938 3.858 1.00 0.00 H new ATOM 0 HG SER A 72 -10.290 -7.105 2.072 1.00 0.00 H new ATOM 988 N SER A 73 -13.650 -4.652 5.385 1.00 0.00 N ATOM 989 CA SER A 73 -14.319 -4.625 6.680 1.00 0.00 C ATOM 990 C SER A 73 -14.260 -5.994 7.351 1.00 0.00 C ATOM 991 O SER A 73 -13.766 -6.129 8.469 1.00 0.00 O ATOM 992 CB SER A 73 -15.776 -4.188 6.516 1.00 0.00 C ATOM 993 OG SER A 73 -15.858 -2.887 5.958 1.00 0.00 O ATOM 0 H SER A 73 -14.277 -4.574 4.585 1.00 0.00 H new ATOM 0 HA SER A 73 -13.800 -3.906 7.314 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.301 -4.896 5.875 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.275 -4.204 7.485 1.00 0.00 H new ATOM 0 HG SER A 73 -16.799 -2.631 5.862 1.00 0.00 H new ATOM 999 N GLY A 74 -14.770 -7.008 6.659 1.00 0.00 N ATOM 1000 CA GLY A 74 -14.766 -8.354 7.202 1.00 0.00 C ATOM 1001 C GLY A 74 -15.398 -8.425 8.578 1.00 0.00 C ATOM 1002 O GLY A 74 -16.618 -8.301 8.683 1.00 0.00 O ATOM 0 H GLY A 74 -15.186 -6.921 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.303 -9.018 6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.740 -8.717 7.258 1.00 0.00 H new TER 1006 GLY A 74 HETATM 1007 ZN ZN A 201 3.869 -4.116 2.728 1.00 0.00 ZN HETATM 1008 ZN ZN A 401 0.599 6.117 -8.306 1.00 0.00 ZN