USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 545 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 54 SER OG : rot 109:sc= 0.142 USER MOD Set 1.2: A 63 TYR OH : rot 15:sc= -2.04! 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 8 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.36) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0279 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.125) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -175:sc= 0 (180deg=-0.0335) USER MOD Single : A 53 LYS NZ :NH3+ -116:sc= -0.45 (180deg=-1.99!) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00976 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.0185 X(o=-0.018,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.001 K(o=-0.001,f=-0.77) USER MOD Single : A 71 ASN : amide:sc= -0.249 K(o=-0.25,f=0.29) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 73 HIS : no HD1:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 38.757 -30.340 3.208 1.00 0.00 N ATOM 2 CA GLY A 1 37.626 -29.448 3.033 1.00 0.00 C ATOM 3 C GLY A 1 37.752 -28.184 3.860 1.00 0.00 C ATOM 4 O GLY A 1 38.029 -28.242 5.058 1.00 0.00 O ATOM 0 H1 GLY A 1 38.624 -31.189 2.622 1.00 0.00 H new ATOM 0 H2 GLY A 1 39.630 -29.854 2.920 1.00 0.00 H new ATOM 0 H3 GLY A 1 38.829 -30.617 4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 1 37.536 -29.182 1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 1 36.710 -29.970 3.309 1.00 0.00 H new ATOM 8 N SER A 2 37.548 -27.037 3.219 1.00 0.00 N ATOM 9 CA SER A 2 37.646 -25.752 3.901 1.00 0.00 C ATOM 10 C SER A 2 36.301 -25.032 3.899 1.00 0.00 C ATOM 11 O SER A 2 36.121 -24.032 3.205 1.00 0.00 O ATOM 12 CB SER A 2 38.707 -24.876 3.235 1.00 0.00 C ATOM 13 OG SER A 2 39.897 -25.608 2.996 1.00 0.00 O ATOM 0 H SER A 2 37.314 -26.972 2.228 1.00 0.00 H new ATOM 0 HA SER A 2 37.937 -25.939 4.935 1.00 0.00 H new ATOM 0 HB2 SER A 2 38.322 -24.485 2.293 1.00 0.00 H new ATOM 0 HB3 SER A 2 38.926 -24.018 3.871 1.00 0.00 H new ATOM 0 HG SER A 2 40.559 -25.026 2.568 1.00 0.00 H new ATOM 19 N SER A 3 35.358 -25.550 4.680 1.00 0.00 N ATOM 20 CA SER A 3 34.027 -24.960 4.766 1.00 0.00 C ATOM 21 C SER A 3 34.033 -23.736 5.678 1.00 0.00 C ATOM 22 O SER A 3 34.416 -23.819 6.844 1.00 0.00 O ATOM 23 CB SER A 3 33.022 -25.990 5.283 1.00 0.00 C ATOM 24 OG SER A 3 33.266 -27.268 4.720 1.00 0.00 O ATOM 0 H SER A 3 35.491 -26.377 5.262 1.00 0.00 H new ATOM 0 HA SER A 3 33.731 -24.645 3.765 1.00 0.00 H new ATOM 0 HB2 SER A 3 33.084 -26.050 6.370 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.009 -25.669 5.039 1.00 0.00 H new ATOM 0 HG SER A 3 32.611 -27.909 5.068 1.00 0.00 H new ATOM 30 N GLY A 4 33.605 -22.600 5.136 1.00 0.00 N ATOM 31 CA GLY A 4 33.569 -21.375 5.913 1.00 0.00 C ATOM 32 C GLY A 4 33.087 -20.188 5.103 1.00 0.00 C ATOM 33 O GLY A 4 33.874 -19.314 4.739 1.00 0.00 O ATOM 0 H GLY A 4 33.283 -22.506 4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 4 32.914 -21.513 6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 4 34.566 -21.165 6.301 1.00 0.00 H new ATOM 37 N SER A 5 31.789 -20.157 4.817 1.00 0.00 N ATOM 38 CA SER A 5 31.203 -19.071 4.040 1.00 0.00 C ATOM 39 C SER A 5 29.929 -18.556 4.701 1.00 0.00 C ATOM 40 O SER A 5 29.094 -19.336 5.158 1.00 0.00 O ATOM 41 CB SER A 5 30.898 -19.542 2.616 1.00 0.00 C ATOM 42 OG SER A 5 30.962 -18.464 1.698 1.00 0.00 O ATOM 0 H SER A 5 31.123 -20.871 5.112 1.00 0.00 H new ATOM 0 HA SER A 5 31.925 -18.256 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 5 31.610 -20.315 2.325 1.00 0.00 H new ATOM 0 HB3 SER A 5 29.906 -19.993 2.583 1.00 0.00 H new ATOM 0 HG SER A 5 30.765 -18.791 0.795 1.00 0.00 H new ATOM 48 N SER A 6 29.786 -17.235 4.747 1.00 0.00 N ATOM 49 CA SER A 6 28.616 -16.613 5.356 1.00 0.00 C ATOM 50 C SER A 6 27.770 -15.902 4.304 1.00 0.00 C ATOM 51 O SER A 6 28.296 -15.331 3.350 1.00 0.00 O ATOM 52 CB SER A 6 29.044 -15.621 6.438 1.00 0.00 C ATOM 53 OG SER A 6 29.916 -16.231 7.374 1.00 0.00 O ATOM 0 H SER A 6 30.466 -16.575 4.370 1.00 0.00 H new ATOM 0 HA SER A 6 28.014 -17.399 5.812 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.540 -14.767 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.163 -15.238 6.953 1.00 0.00 H new ATOM 0 HG SER A 6 30.176 -15.575 8.054 1.00 0.00 H new ATOM 59 N GLY A 7 26.453 -15.942 4.486 1.00 0.00 N ATOM 60 CA GLY A 7 25.554 -15.298 3.546 1.00 0.00 C ATOM 61 C GLY A 7 24.839 -14.106 4.150 1.00 0.00 C ATOM 62 O GLY A 7 23.614 -14.015 4.093 1.00 0.00 O ATOM 0 H GLY A 7 25.993 -16.409 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 7 26.119 -14.974 2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.817 -16.022 3.199 1.00 0.00 H new ATOM 66 N ASN A 8 25.607 -13.191 4.733 1.00 0.00 N ATOM 67 CA ASN A 8 25.038 -12.000 5.354 1.00 0.00 C ATOM 68 C ASN A 8 24.603 -10.991 4.295 1.00 0.00 C ATOM 69 O ASN A 8 25.432 -10.436 3.573 1.00 0.00 O ATOM 70 CB ASN A 8 26.055 -11.358 6.300 1.00 0.00 C ATOM 71 CG ASN A 8 26.326 -12.212 7.523 1.00 0.00 C ATOM 72 OD1 ASN A 8 27.313 -12.947 7.574 1.00 0.00 O ATOM 73 ND2 ASN A 8 25.449 -12.120 8.516 1.00 0.00 N ATOM 0 H ASN A 8 26.624 -13.251 4.788 1.00 0.00 H new ATOM 0 HA ASN A 8 24.160 -12.301 5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 8 26.989 -11.189 5.764 1.00 0.00 H new ATOM 0 HB3 ASN A 8 25.687 -10.382 6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 8 25.579 -12.672 9.364 1.00 0.00 H new ATOM 0 HD22 ASN A 8 24.645 -11.498 8.431 1.00 0.00 H new ATOM 80 N VAL A 9 23.298 -10.756 4.210 1.00 0.00 N ATOM 81 CA VAL A 9 22.752 -9.813 3.241 1.00 0.00 C ATOM 82 C VAL A 9 21.538 -9.084 3.808 1.00 0.00 C ATOM 83 O VAL A 9 20.582 -9.712 4.261 1.00 0.00 O ATOM 84 CB VAL A 9 22.349 -10.520 1.934 1.00 0.00 C ATOM 85 CG1 VAL A 9 21.755 -9.524 0.949 1.00 0.00 C ATOM 86 CG2 VAL A 9 23.545 -11.236 1.325 1.00 0.00 C ATOM 0 H VAL A 9 22.599 -11.206 4.801 1.00 0.00 H new ATOM 0 HA VAL A 9 23.539 -9.090 3.025 1.00 0.00 H new ATOM 0 HB VAL A 9 21.587 -11.265 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 9 21.476 -10.042 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 9 20.871 -9.062 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 9 22.492 -8.754 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 9 23.242 -11.730 0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 9 24.331 -10.512 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 9 23.921 -11.979 2.028 1.00 0.00 H new ATOM 96 N GLN A 10 21.584 -7.757 3.777 1.00 0.00 N ATOM 97 CA GLN A 10 20.488 -6.943 4.288 1.00 0.00 C ATOM 98 C GLN A 10 20.254 -5.725 3.399 1.00 0.00 C ATOM 99 O GLN A 10 21.127 -4.870 3.260 1.00 0.00 O ATOM 100 CB GLN A 10 20.782 -6.494 5.721 1.00 0.00 C ATOM 101 CG GLN A 10 19.794 -5.467 6.251 1.00 0.00 C ATOM 102 CD GLN A 10 18.380 -6.007 6.336 1.00 0.00 C ATOM 103 OE1 GLN A 10 18.171 -7.201 6.550 1.00 0.00 O ATOM 104 NE2 GLN A 10 17.400 -5.127 6.169 1.00 0.00 N ATOM 0 H GLN A 10 22.368 -7.222 3.404 1.00 0.00 H new ATOM 0 HA GLN A 10 19.584 -7.552 4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 10 20.773 -7.366 6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 10 21.787 -6.074 5.763 1.00 0.00 H new ATOM 0 HG2 GLN A 10 20.113 -5.138 7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 10 19.806 -4.590 5.604 1.00 0.00 H new ATOM 0 HE21 GLN A 10 17.619 -4.146 5.994 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.428 -5.431 6.216 1.00 0.00 H new ATOM 113 N GLU A 11 19.069 -5.655 2.800 1.00 0.00 N ATOM 114 CA GLU A 11 18.722 -4.542 1.924 1.00 0.00 C ATOM 115 C GLU A 11 17.283 -4.091 2.162 1.00 0.00 C ATOM 116 O GLU A 11 16.574 -4.657 2.993 1.00 0.00 O ATOM 117 CB GLU A 11 18.908 -4.941 0.459 1.00 0.00 C ATOM 118 CG GLU A 11 20.362 -4.997 0.023 1.00 0.00 C ATOM 119 CD GLU A 11 20.940 -3.624 -0.262 1.00 0.00 C ATOM 120 OE1 GLU A 11 21.262 -2.903 0.704 1.00 0.00 O ATOM 121 OE2 GLU A 11 21.069 -3.272 -1.454 1.00 0.00 O ATOM 0 H GLU A 11 18.334 -6.355 2.905 1.00 0.00 H new ATOM 0 HA GLU A 11 19.388 -3.710 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.451 -5.917 0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 11 18.375 -4.230 -0.173 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.952 -5.481 0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 11 20.446 -5.615 -0.871 1.00 0.00 H new ATOM 128 N GLU A 12 16.860 -3.069 1.425 1.00 0.00 N ATOM 129 CA GLU A 12 15.507 -2.542 1.556 1.00 0.00 C ATOM 130 C GLU A 12 14.738 -2.683 0.245 1.00 0.00 C ATOM 131 O GLU A 12 14.140 -1.725 -0.243 1.00 0.00 O ATOM 132 CB GLU A 12 15.548 -1.072 1.980 1.00 0.00 C ATOM 133 CG GLU A 12 15.923 -0.869 3.438 1.00 0.00 C ATOM 134 CD GLU A 12 15.764 0.571 3.886 1.00 0.00 C ATOM 135 OE1 GLU A 12 14.655 1.123 3.727 1.00 0.00 O ATOM 136 OE2 GLU A 12 16.748 1.144 4.398 1.00 0.00 O ATOM 0 H GLU A 12 17.434 -2.590 0.732 1.00 0.00 H new ATOM 0 HA GLU A 12 14.992 -3.120 2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.264 -0.541 1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.571 -0.623 1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.301 -1.511 4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 12 16.956 -1.181 3.590 1.00 0.00 H new ATOM 143 N VAL A 13 14.760 -3.887 -0.320 1.00 0.00 N ATOM 144 CA VAL A 13 14.065 -4.155 -1.573 1.00 0.00 C ATOM 145 C VAL A 13 13.359 -5.506 -1.531 1.00 0.00 C ATOM 146 O VAL A 13 13.484 -6.314 -2.452 1.00 0.00 O ATOM 147 CB VAL A 13 15.036 -4.133 -2.769 1.00 0.00 C ATOM 148 CG1 VAL A 13 15.512 -2.714 -3.043 1.00 0.00 C ATOM 149 CG2 VAL A 13 16.215 -5.060 -2.515 1.00 0.00 C ATOM 0 H VAL A 13 15.251 -4.691 0.070 1.00 0.00 H new ATOM 0 HA VAL A 13 13.325 -3.365 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 13 14.506 -4.490 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 13 16.197 -2.717 -3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 13 14.655 -2.080 -3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 13 16.026 -2.326 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.891 -5.032 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 13 16.747 -4.735 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 13 15.853 -6.078 -2.372 1.00 0.00 H new ATOM 159 N THR A 14 12.615 -5.746 -0.456 1.00 0.00 N ATOM 160 CA THR A 14 11.889 -6.999 -0.293 1.00 0.00 C ATOM 161 C THR A 14 10.487 -6.754 0.254 1.00 0.00 C ATOM 162 O THR A 14 10.321 -6.188 1.335 1.00 0.00 O ATOM 163 CB THR A 14 12.635 -7.962 0.650 1.00 0.00 C ATOM 164 OG1 THR A 14 13.549 -7.230 1.475 1.00 0.00 O ATOM 165 CG2 THR A 14 13.392 -9.017 -0.142 1.00 0.00 C ATOM 0 H THR A 14 12.499 -5.088 0.315 1.00 0.00 H new ATOM 0 HA THR A 14 11.817 -7.454 -1.281 1.00 0.00 H new ATOM 0 HB THR A 14 11.899 -8.462 1.279 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.018 -7.849 2.073 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.911 -9.685 0.545 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.690 -9.592 -0.746 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.118 -8.531 -0.793 1.00 0.00 H new ATOM 173 N CYS A 15 9.480 -7.185 -0.498 1.00 0.00 N ATOM 174 CA CYS A 15 8.091 -7.014 -0.089 1.00 0.00 C ATOM 175 C CYS A 15 7.876 -7.523 1.334 1.00 0.00 C ATOM 176 O CYS A 15 7.901 -8.724 1.600 1.00 0.00 O ATOM 177 CB CYS A 15 7.159 -7.752 -1.052 1.00 0.00 C ATOM 178 SG CYS A 15 5.392 -7.389 -0.802 1.00 0.00 S ATOM 0 H CYS A 15 9.600 -7.656 -1.395 1.00 0.00 H new ATOM 0 HA CYS A 15 7.860 -5.949 -0.114 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.431 -7.492 -2.075 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.317 -8.825 -0.943 1.00 0.00 H new ATOM 183 N PRO A 16 7.660 -6.587 2.270 1.00 0.00 N ATOM 184 CA PRO A 16 7.436 -6.916 3.681 1.00 0.00 C ATOM 185 C PRO A 16 6.091 -7.597 3.911 1.00 0.00 C ATOM 186 O PRO A 16 5.809 -8.080 5.007 1.00 0.00 O ATOM 187 CB PRO A 16 7.469 -5.551 4.373 1.00 0.00 C ATOM 188 CG PRO A 16 7.080 -4.579 3.313 1.00 0.00 C ATOM 189 CD PRO A 16 7.617 -5.136 2.023 1.00 0.00 C ATOM 0 HA PRO A 16 8.179 -7.619 4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.777 -5.517 5.214 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.461 -5.331 4.767 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.997 -4.464 3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.497 -3.593 3.516 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.971 -4.891 1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.605 -4.738 1.794 1.00 0.00 H new ATOM 197 N ILE A 17 5.265 -7.631 2.870 1.00 0.00 N ATOM 198 CA ILE A 17 3.951 -8.255 2.960 1.00 0.00 C ATOM 199 C ILE A 17 4.040 -9.761 2.736 1.00 0.00 C ATOM 200 O ILE A 17 3.826 -10.550 3.657 1.00 0.00 O ATOM 201 CB ILE A 17 2.971 -7.653 1.935 1.00 0.00 C ATOM 202 CG1 ILE A 17 3.001 -6.125 2.005 1.00 0.00 C ATOM 203 CG2 ILE A 17 1.562 -8.172 2.180 1.00 0.00 C ATOM 204 CD1 ILE A 17 2.127 -5.455 0.968 1.00 0.00 C ATOM 0 H ILE A 17 5.483 -7.234 1.956 1.00 0.00 H new ATOM 0 HA ILE A 17 3.578 -8.061 3.966 1.00 0.00 H new ATOM 0 HB ILE A 17 3.281 -7.959 0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.681 -5.809 2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.028 -5.784 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.882 -7.737 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.552 -9.258 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.241 -7.893 3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.198 -4.373 1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.461 -5.742 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.092 -5.767 1.108 1.00 0.00 H new ATOM 216 N CYS A 18 4.360 -10.153 1.508 1.00 0.00 N ATOM 217 CA CYS A 18 4.480 -11.564 1.162 1.00 0.00 C ATOM 218 C CYS A 18 5.841 -12.113 1.582 1.00 0.00 C ATOM 219 O CYS A 18 6.040 -13.327 1.645 1.00 0.00 O ATOM 220 CB CYS A 18 4.281 -11.761 -0.342 1.00 0.00 C ATOM 221 SG CYS A 18 5.572 -10.990 -1.370 1.00 0.00 S ATOM 0 H CYS A 18 4.541 -9.513 0.735 1.00 0.00 H new ATOM 0 HA CYS A 18 3.705 -12.111 1.699 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.250 -12.829 -0.557 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.312 -11.351 -0.626 1.00 0.00 H new ATOM 226 N LEU A 19 6.774 -11.212 1.868 1.00 0.00 N ATOM 227 CA LEU A 19 8.116 -11.605 2.283 1.00 0.00 C ATOM 228 C LEU A 19 8.809 -12.412 1.190 1.00 0.00 C ATOM 229 O LEU A 19 9.218 -13.551 1.412 1.00 0.00 O ATOM 230 CB LEU A 19 8.053 -12.422 3.575 1.00 0.00 C ATOM 231 CG LEU A 19 7.293 -11.783 4.737 1.00 0.00 C ATOM 232 CD1 LEU A 19 7.320 -12.692 5.957 1.00 0.00 C ATOM 233 CD2 LEU A 19 7.879 -10.420 5.073 1.00 0.00 C ATOM 0 H LEU A 19 6.626 -10.204 1.820 1.00 0.00 H new ATOM 0 HA LEU A 19 8.695 -10.699 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.592 -13.384 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.073 -12.626 3.902 1.00 0.00 H new ATOM 0 HG LEU A 19 6.255 -11.645 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.774 -12.221 6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.853 -13.645 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.353 -12.862 6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.325 -9.980 5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.926 -10.533 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.807 -9.768 4.202 1.00 0.00 H new ATOM 245 N GLU A 20 8.939 -11.812 0.011 1.00 0.00 N ATOM 246 CA GLU A 20 9.585 -12.476 -1.115 1.00 0.00 C ATOM 247 C GLU A 20 10.417 -11.486 -1.925 1.00 0.00 C ATOM 248 O GLU A 20 10.295 -10.272 -1.759 1.00 0.00 O ATOM 249 CB GLU A 20 8.538 -13.135 -2.016 1.00 0.00 C ATOM 250 CG GLU A 20 7.757 -14.244 -1.330 1.00 0.00 C ATOM 251 CD GLU A 20 6.477 -14.595 -2.063 1.00 0.00 C ATOM 252 OE1 GLU A 20 6.256 -14.052 -3.165 1.00 0.00 O ATOM 253 OE2 GLU A 20 5.697 -15.414 -1.534 1.00 0.00 O ATOM 0 H GLU A 20 8.606 -10.869 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 20 10.249 -13.244 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.841 -12.374 -2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.034 -13.542 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.384 -15.132 -1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.516 -13.938 -0.312 1.00 0.00 H new ATOM 260 N LEU A 21 11.265 -12.014 -2.802 1.00 0.00 N ATOM 261 CA LEU A 21 12.120 -11.178 -3.638 1.00 0.00 C ATOM 262 C LEU A 21 11.295 -10.139 -4.391 1.00 0.00 C ATOM 263 O LEU A 21 10.417 -10.482 -5.183 1.00 0.00 O ATOM 264 CB LEU A 21 12.899 -12.043 -4.630 1.00 0.00 C ATOM 265 CG LEU A 21 13.785 -11.292 -5.624 1.00 0.00 C ATOM 266 CD1 LEU A 21 14.971 -10.661 -4.912 1.00 0.00 C ATOM 267 CD2 LEU A 21 14.258 -12.226 -6.728 1.00 0.00 C ATOM 0 H LEU A 21 11.379 -13.016 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 21 12.824 -10.657 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.525 -12.734 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.187 -12.646 -5.193 1.00 0.00 H new ATOM 0 HG LEU A 21 13.195 -10.496 -6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 21 15.590 -10.131 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.612 -9.960 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.562 -11.440 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.887 -11.674 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 21 14.831 -13.044 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.395 -12.629 -7.258 1.00 0.00 H new ATOM 279 N LEU A 22 11.586 -8.867 -4.141 1.00 0.00 N ATOM 280 CA LEU A 22 10.873 -7.776 -4.797 1.00 0.00 C ATOM 281 C LEU A 22 11.432 -7.522 -6.193 1.00 0.00 C ATOM 282 O LEU A 22 12.620 -7.241 -6.357 1.00 0.00 O ATOM 283 CB LEU A 22 10.968 -6.501 -3.957 1.00 0.00 C ATOM 284 CG LEU A 22 9.906 -5.435 -4.233 1.00 0.00 C ATOM 285 CD1 LEU A 22 8.513 -5.998 -4.001 1.00 0.00 C ATOM 286 CD2 LEU A 22 10.141 -4.210 -3.361 1.00 0.00 C ATOM 0 H LEU A 22 12.310 -8.566 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 22 9.826 -8.064 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.911 -6.778 -2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.950 -6.057 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 22 9.984 -5.133 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.770 -5.226 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.347 -6.844 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.422 -6.328 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.376 -3.462 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.090 -4.496 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.125 -3.793 -3.577 1.00 0.00 H new ATOM 298 N THR A 23 10.568 -7.621 -7.199 1.00 0.00 N ATOM 299 CA THR A 23 10.975 -7.401 -8.581 1.00 0.00 C ATOM 300 C THR A 23 10.132 -6.312 -9.235 1.00 0.00 C ATOM 301 O THR A 23 8.965 -6.530 -9.559 1.00 0.00 O ATOM 302 CB THR A 23 10.861 -8.692 -9.412 1.00 0.00 C ATOM 303 OG1 THR A 23 11.034 -8.397 -10.803 1.00 0.00 O ATOM 304 CG2 THR A 23 9.511 -9.359 -9.194 1.00 0.00 C ATOM 0 H THR A 23 9.581 -7.852 -7.082 1.00 0.00 H new ATOM 0 HA THR A 23 12.018 -7.084 -8.557 1.00 0.00 H new ATOM 0 HB THR A 23 11.644 -9.377 -9.086 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.962 -9.224 -11.324 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.454 -10.269 -9.791 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.395 -9.609 -8.140 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.716 -8.677 -9.495 1.00 0.00 H new ATOM 312 N GLU A 24 10.731 -5.141 -9.428 1.00 0.00 N ATOM 313 CA GLU A 24 10.034 -4.019 -10.044 1.00 0.00 C ATOM 314 C GLU A 24 8.709 -3.747 -9.337 1.00 0.00 C ATOM 315 O GLU A 24 7.628 -3.954 -9.888 1.00 0.00 O ATOM 316 CB GLU A 24 9.784 -4.298 -11.528 1.00 0.00 C ATOM 317 CG GLU A 24 11.018 -4.780 -12.273 1.00 0.00 C ATOM 318 CD GLU A 24 10.800 -4.861 -13.771 1.00 0.00 C ATOM 319 OE1 GLU A 24 10.122 -3.968 -14.321 1.00 0.00 O ATOM 320 OE2 GLU A 24 11.307 -5.817 -14.394 1.00 0.00 O ATOM 0 H GLU A 24 11.697 -4.945 -9.167 1.00 0.00 H new ATOM 0 HA GLU A 24 10.665 -3.136 -9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.998 -5.048 -11.621 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.415 -3.389 -12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.849 -4.106 -12.066 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.304 -5.763 -11.898 1.00 0.00 H new ATOM 327 N PRO A 25 8.794 -3.271 -8.086 1.00 0.00 N ATOM 328 CA PRO A 25 7.613 -2.960 -7.275 1.00 0.00 C ATOM 329 C PRO A 25 6.860 -1.739 -7.792 1.00 0.00 C ATOM 330 O PRO A 25 7.156 -1.226 -8.873 1.00 0.00 O ATOM 331 CB PRO A 25 8.198 -2.680 -5.889 1.00 0.00 C ATOM 332 CG PRO A 25 9.597 -2.240 -6.150 1.00 0.00 C ATOM 333 CD PRO A 25 10.050 -3.000 -7.366 1.00 0.00 C ATOM 0 HA PRO A 25 6.884 -3.770 -7.289 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.631 -1.908 -5.369 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.174 -3.571 -5.262 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.642 -1.165 -6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.239 -2.453 -5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.742 -2.414 -7.971 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.565 -3.922 -7.095 1.00 0.00 H new ATOM 341 N LEU A 26 5.886 -1.278 -7.016 1.00 0.00 N ATOM 342 CA LEU A 26 5.091 -0.116 -7.396 1.00 0.00 C ATOM 343 C LEU A 26 5.067 0.918 -6.274 1.00 0.00 C ATOM 344 O LEU A 26 4.414 0.721 -5.249 1.00 0.00 O ATOM 345 CB LEU A 26 3.663 -0.542 -7.743 1.00 0.00 C ATOM 346 CG LEU A 26 3.528 -1.803 -8.597 1.00 0.00 C ATOM 347 CD1 LEU A 26 2.062 -2.137 -8.827 1.00 0.00 C ATOM 348 CD2 LEU A 26 4.251 -1.628 -9.924 1.00 0.00 C ATOM 0 H LEU A 26 5.628 -1.691 -6.120 1.00 0.00 H new ATOM 0 HA LEU A 26 5.552 0.338 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.115 -0.696 -6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.177 0.281 -8.267 1.00 0.00 H new ATOM 0 HG LEU A 26 3.989 -2.633 -8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.985 -3.037 -9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.572 -2.305 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.576 -1.308 -9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.144 -2.535 -10.519 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.819 -0.786 -10.465 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.308 -1.437 -9.740 1.00 0.00 H new ATOM 360 N SER A 27 5.781 2.020 -6.477 1.00 0.00 N ATOM 361 CA SER A 27 5.843 3.085 -5.482 1.00 0.00 C ATOM 362 C SER A 27 4.442 3.516 -5.060 1.00 0.00 C ATOM 363 O SER A 27 3.591 3.812 -5.900 1.00 0.00 O ATOM 364 CB SER A 27 6.613 4.285 -6.036 1.00 0.00 C ATOM 365 OG SER A 27 7.758 3.867 -6.759 1.00 0.00 O ATOM 0 H SER A 27 6.325 2.199 -7.321 1.00 0.00 H new ATOM 0 HA SER A 27 6.365 2.700 -4.606 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.962 4.870 -6.686 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.915 4.937 -5.216 1.00 0.00 H new ATOM 0 HG SER A 27 8.232 4.652 -7.104 1.00 0.00 H new ATOM 371 N LEU A 28 4.209 3.550 -3.753 1.00 0.00 N ATOM 372 CA LEU A 28 2.911 3.945 -3.217 1.00 0.00 C ATOM 373 C LEU A 28 2.884 5.437 -2.901 1.00 0.00 C ATOM 374 O LEU A 28 3.848 6.155 -3.165 1.00 0.00 O ATOM 375 CB LEU A 28 2.591 3.140 -1.956 1.00 0.00 C ATOM 376 CG LEU A 28 2.401 1.635 -2.151 1.00 0.00 C ATOM 377 CD1 LEU A 28 1.972 0.978 -0.848 1.00 0.00 C ATOM 378 CD2 LEU A 28 1.382 1.364 -3.248 1.00 0.00 C ATOM 0 H LEU A 28 4.902 3.309 -3.044 1.00 0.00 H new ATOM 0 HA LEU A 28 2.155 3.738 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.395 3.294 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.683 3.546 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 28 3.355 1.204 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.842 -0.093 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.737 1.142 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.030 1.413 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.259 0.288 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.425 1.809 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.730 1.801 -4.184 1.00 0.00 H new ATOM 390 N ASP A 29 1.774 5.896 -2.333 1.00 0.00 N ATOM 391 CA ASP A 29 1.622 7.302 -1.978 1.00 0.00 C ATOM 392 C ASP A 29 2.274 7.596 -0.631 1.00 0.00 C ATOM 393 O ASP A 29 2.688 8.724 -0.363 1.00 0.00 O ATOM 394 CB ASP A 29 0.141 7.682 -1.936 1.00 0.00 C ATOM 395 CG ASP A 29 -0.518 7.300 -0.625 1.00 0.00 C ATOM 396 OD1 ASP A 29 -0.330 6.148 -0.181 1.00 0.00 O ATOM 397 OD2 ASP A 29 -1.223 8.152 -0.044 1.00 0.00 O ATOM 0 H ASP A 29 0.966 5.315 -2.109 1.00 0.00 H new ATOM 0 HA ASP A 29 2.121 7.900 -2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.040 8.756 -2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.380 7.191 -2.758 1.00 0.00 H new ATOM 402 N CYS A 30 2.360 6.575 0.214 1.00 0.00 N ATOM 403 CA CYS A 30 2.960 6.722 1.535 1.00 0.00 C ATOM 404 C CYS A 30 4.476 6.565 1.464 1.00 0.00 C ATOM 405 O CYS A 30 5.205 7.093 2.303 1.00 0.00 O ATOM 406 CB CYS A 30 2.374 5.692 2.502 1.00 0.00 C ATOM 407 SG CYS A 30 2.908 3.981 2.179 1.00 0.00 S ATOM 0 H CYS A 30 2.021 5.635 0.008 1.00 0.00 H new ATOM 0 HA CYS A 30 2.733 7.723 1.901 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.656 5.963 3.519 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.286 5.738 2.449 1.00 0.00 H new ATOM 412 N GLY A 31 4.944 5.835 0.456 1.00 0.00 N ATOM 413 CA GLY A 31 6.370 5.621 0.294 1.00 0.00 C ATOM 414 C GLY A 31 6.784 4.200 0.618 1.00 0.00 C ATOM 415 O GLY A 31 7.665 3.975 1.448 1.00 0.00 O ATOM 0 H GLY A 31 4.361 5.388 -0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.655 5.854 -0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.913 6.311 0.940 1.00 0.00 H new ATOM 419 N HIS A 32 6.146 3.236 -0.039 1.00 0.00 N ATOM 420 CA HIS A 32 6.452 1.827 0.184 1.00 0.00 C ATOM 421 C HIS A 32 6.420 1.050 -1.128 1.00 0.00 C ATOM 422 O HIS A 32 5.659 1.379 -2.038 1.00 0.00 O ATOM 423 CB HIS A 32 5.460 1.218 1.175 1.00 0.00 C ATOM 424 CG HIS A 32 5.844 1.422 2.609 1.00 0.00 C ATOM 425 ND1 HIS A 32 4.926 1.439 3.638 1.00 0.00 N ATOM 426 CD2 HIS A 32 7.054 1.617 3.182 1.00 0.00 C ATOM 427 CE1 HIS A 32 5.556 1.637 4.783 1.00 0.00 C ATOM 428 NE2 HIS A 32 6.848 1.748 4.533 1.00 0.00 N ATOM 0 H HIS A 32 5.415 3.405 -0.730 1.00 0.00 H new ATOM 0 HA HIS A 32 7.457 1.761 0.601 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.476 1.654 1.005 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.373 0.149 0.979 1.00 0.00 H new ATOM 0 HD2 HIS A 32 8.005 1.661 2.672 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.093 1.698 5.757 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.575 1.906 5.231 1.00 0.00 H new ATOM 436 N SER A 33 7.252 0.017 -1.219 1.00 0.00 N ATOM 437 CA SER A 33 7.322 -0.805 -2.422 1.00 0.00 C ATOM 438 C SER A 33 6.740 -2.192 -2.167 1.00 0.00 C ATOM 439 O SER A 33 7.071 -2.845 -1.177 1.00 0.00 O ATOM 440 CB SER A 33 8.771 -0.927 -2.898 1.00 0.00 C ATOM 441 OG SER A 33 9.530 0.207 -2.516 1.00 0.00 O ATOM 0 H SER A 33 7.887 -0.271 -0.474 1.00 0.00 H new ATOM 0 HA SER A 33 6.731 -0.320 -3.199 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.220 -1.827 -2.479 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.793 -1.035 -3.982 1.00 0.00 H new ATOM 0 HG SER A 33 10.453 0.104 -2.830 1.00 0.00 H new ATOM 447 N LEU A 34 5.870 -2.636 -3.068 1.00 0.00 N ATOM 448 CA LEU A 34 5.240 -3.946 -2.942 1.00 0.00 C ATOM 449 C LEU A 34 5.134 -4.631 -4.301 1.00 0.00 C ATOM 450 O LEU A 34 5.703 -4.166 -5.289 1.00 0.00 O ATOM 451 CB LEU A 34 3.851 -3.808 -2.318 1.00 0.00 C ATOM 452 CG LEU A 34 3.729 -2.812 -1.164 1.00 0.00 C ATOM 453 CD1 LEU A 34 2.267 -2.533 -0.851 1.00 0.00 C ATOM 454 CD2 LEU A 34 4.451 -3.334 0.069 1.00 0.00 C ATOM 0 H LEU A 34 5.585 -2.109 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 34 5.863 -4.561 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.151 -3.515 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.536 -4.788 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 34 4.199 -1.876 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.200 -1.822 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.780 -2.114 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.771 -3.462 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.354 -2.613 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.011 -4.284 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.506 -3.480 -0.162 1.00 0.00 H new ATOM 466 N CYS A 35 4.401 -5.738 -4.343 1.00 0.00 N ATOM 467 CA CYS A 35 4.218 -6.488 -5.580 1.00 0.00 C ATOM 468 C CYS A 35 2.869 -6.165 -6.217 1.00 0.00 C ATOM 469 O CYS A 35 1.876 -5.956 -5.520 1.00 0.00 O ATOM 470 CB CYS A 35 4.320 -7.990 -5.311 1.00 0.00 C ATOM 471 SG CYS A 35 5.740 -8.464 -4.272 1.00 0.00 S ATOM 0 H CYS A 35 3.924 -6.136 -3.534 1.00 0.00 H new ATOM 0 HA CYS A 35 5.007 -6.196 -6.273 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.402 -8.325 -4.828 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.389 -8.515 -6.264 1.00 0.00 H new ATOM 476 N ARG A 36 2.842 -6.127 -7.545 1.00 0.00 N ATOM 477 CA ARG A 36 1.616 -5.829 -8.276 1.00 0.00 C ATOM 478 C ARG A 36 0.485 -6.755 -7.840 1.00 0.00 C ATOM 479 O ARG A 36 -0.688 -6.386 -7.895 1.00 0.00 O ATOM 480 CB ARG A 36 1.849 -5.966 -9.782 1.00 0.00 C ATOM 481 CG ARG A 36 2.605 -7.226 -10.170 1.00 0.00 C ATOM 482 CD ARG A 36 2.296 -7.644 -11.599 1.00 0.00 C ATOM 483 NE ARG A 36 2.450 -6.538 -12.539 1.00 0.00 N ATOM 484 CZ ARG A 36 3.624 -6.138 -13.017 1.00 0.00 C ATOM 485 NH1 ARG A 36 4.738 -6.753 -12.646 1.00 0.00 N ATOM 486 NH2 ARG A 36 3.683 -5.123 -13.870 1.00 0.00 N ATOM 0 H ARG A 36 3.655 -6.299 -8.137 1.00 0.00 H new ATOM 0 HA ARG A 36 1.329 -4.802 -8.051 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.886 -5.959 -10.292 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.403 -5.097 -10.136 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.676 -7.056 -10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.341 -8.034 -9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.957 -8.460 -11.889 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.276 -8.026 -11.652 1.00 0.00 H new ATOM 0 HE ARG A 36 1.611 -6.045 -12.846 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.695 -7.535 -11.992 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.638 -6.444 -13.014 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.827 -4.649 -14.159 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.584 -4.817 -14.236 1.00 0.00 H new ATOM 500 N ALA A 37 0.845 -7.959 -7.408 1.00 0.00 N ATOM 501 CA ALA A 37 -0.139 -8.937 -6.961 1.00 0.00 C ATOM 502 C ALA A 37 -0.585 -8.653 -5.531 1.00 0.00 C ATOM 503 O ALA A 37 -1.780 -8.646 -5.232 1.00 0.00 O ATOM 504 CB ALA A 37 0.428 -10.344 -7.070 1.00 0.00 C ATOM 0 H ALA A 37 1.812 -8.281 -7.358 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.013 -8.858 -7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.318 -11.064 -6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.690 -10.551 -8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.319 -10.426 -6.448 1.00 0.00 H new ATOM 510 N CYS A 38 0.382 -8.420 -4.650 1.00 0.00 N ATOM 511 CA CYS A 38 0.090 -8.136 -3.250 1.00 0.00 C ATOM 512 C CYS A 38 -0.871 -6.958 -3.123 1.00 0.00 C ATOM 513 O CYS A 38 -1.610 -6.850 -2.144 1.00 0.00 O ATOM 514 CB CYS A 38 1.383 -7.839 -2.488 1.00 0.00 C ATOM 515 SG CYS A 38 2.505 -9.267 -2.342 1.00 0.00 S ATOM 0 H CYS A 38 1.375 -8.422 -4.881 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.384 -9.017 -2.817 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.909 -7.027 -2.990 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.130 -7.486 -1.488 1.00 0.00 H new ATOM 520 N ILE A 39 -0.855 -6.078 -4.118 1.00 0.00 N ATOM 521 CA ILE A 39 -1.725 -4.909 -4.118 1.00 0.00 C ATOM 522 C ILE A 39 -3.082 -5.234 -4.733 1.00 0.00 C ATOM 523 O ILE A 39 -4.125 -5.006 -4.120 1.00 0.00 O ATOM 524 CB ILE A 39 -1.092 -3.736 -4.890 1.00 0.00 C ATOM 525 CG1 ILE A 39 0.254 -3.356 -4.270 1.00 0.00 C ATOM 526 CG2 ILE A 39 -2.033 -2.540 -4.901 1.00 0.00 C ATOM 527 CD1 ILE A 39 1.344 -3.116 -5.291 1.00 0.00 C ATOM 0 H ILE A 39 -0.249 -6.153 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.861 -4.617 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.921 -4.048 -5.920 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.126 -2.456 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.570 -4.150 -3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.572 -1.719 -5.450 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.970 -2.818 -5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.232 -2.225 -3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.269 -2.851 -4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.500 -4.022 -5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.049 -2.302 -5.953 1.00 0.00 H new ATOM 539 N THR A 40 -3.062 -5.770 -5.949 1.00 0.00 N ATOM 540 CA THR A 40 -4.290 -6.128 -6.648 1.00 0.00 C ATOM 541 C THR A 40 -5.028 -7.247 -5.923 1.00 0.00 C ATOM 542 O THR A 40 -4.415 -8.076 -5.251 1.00 0.00 O ATOM 543 CB THR A 40 -4.005 -6.569 -8.096 1.00 0.00 C ATOM 544 OG1 THR A 40 -3.168 -5.606 -8.746 1.00 0.00 O ATOM 545 CG2 THR A 40 -5.300 -6.733 -8.877 1.00 0.00 C ATOM 0 H THR A 40 -2.208 -5.966 -6.471 1.00 0.00 H new ATOM 0 HA THR A 40 -4.916 -5.236 -6.665 1.00 0.00 H new ATOM 0 HB THR A 40 -3.494 -7.531 -8.065 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.243 -5.718 -8.441 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.073 -7.045 -9.896 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.922 -7.488 -8.396 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.835 -5.783 -8.899 1.00 0.00 H new ATOM 553 N VAL A 41 -6.350 -7.266 -6.064 1.00 0.00 N ATOM 554 CA VAL A 41 -7.173 -8.286 -5.424 1.00 0.00 C ATOM 555 C VAL A 41 -6.675 -9.687 -5.764 1.00 0.00 C ATOM 556 O VAL A 41 -6.571 -10.053 -6.934 1.00 0.00 O ATOM 557 CB VAL A 41 -8.649 -8.162 -5.845 1.00 0.00 C ATOM 558 CG1 VAL A 41 -9.496 -9.207 -5.135 1.00 0.00 C ATOM 559 CG2 VAL A 41 -9.167 -6.760 -5.562 1.00 0.00 C ATOM 0 H VAL A 41 -6.874 -6.587 -6.616 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.095 -8.127 -4.349 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.720 -8.340 -6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.536 -9.104 -5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.137 -10.203 -5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.423 -9.064 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.212 -6.690 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.084 -6.550 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.577 -6.034 -6.122 1.00 0.00 H new ATOM 569 N SER A 42 -6.368 -10.466 -4.732 1.00 0.00 N ATOM 570 CA SER A 42 -5.877 -11.826 -4.920 1.00 0.00 C ATOM 571 C SER A 42 -6.957 -12.846 -4.572 1.00 0.00 C ATOM 572 O SER A 42 -8.017 -12.493 -4.058 1.00 0.00 O ATOM 573 CB SER A 42 -4.636 -12.067 -4.059 1.00 0.00 C ATOM 574 OG SER A 42 -3.699 -11.014 -4.208 1.00 0.00 O ATOM 0 H SER A 42 -6.451 -10.179 -3.757 1.00 0.00 H new ATOM 0 HA SER A 42 -5.611 -11.948 -5.970 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.927 -12.153 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.173 -13.013 -4.340 1.00 0.00 H new ATOM 0 HG SER A 42 -2.916 -11.191 -3.646 1.00 0.00 H new ATOM 580 N ASN A 43 -6.679 -14.114 -4.858 1.00 0.00 N ATOM 581 CA ASN A 43 -7.626 -15.187 -4.577 1.00 0.00 C ATOM 582 C ASN A 43 -7.255 -15.916 -3.290 1.00 0.00 C ATOM 583 O ASN A 43 -6.594 -16.955 -3.320 1.00 0.00 O ATOM 584 CB ASN A 43 -7.669 -16.176 -5.743 1.00 0.00 C ATOM 585 CG ASN A 43 -7.696 -15.481 -7.091 1.00 0.00 C ATOM 586 OD1 ASN A 43 -6.688 -15.432 -7.797 1.00 0.00 O ATOM 587 ND2 ASN A 43 -8.852 -14.939 -7.454 1.00 0.00 N ATOM 0 H ASN A 43 -5.806 -14.424 -5.284 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.613 -14.743 -4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.799 -16.831 -5.692 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.551 -16.809 -5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.931 -14.458 -8.350 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.662 -15.004 -6.837 1.00 0.00 H new ATOM 594 N LYS A 44 -7.685 -15.366 -2.159 1.00 0.00 N ATOM 595 CA LYS A 44 -7.401 -15.964 -0.860 1.00 0.00 C ATOM 596 C LYS A 44 -8.624 -15.897 0.049 1.00 0.00 C ATOM 597 O LYS A 44 -9.368 -14.917 0.031 1.00 0.00 O ATOM 598 CB LYS A 44 -6.219 -15.253 -0.196 1.00 0.00 C ATOM 599 CG LYS A 44 -5.504 -16.102 0.841 1.00 0.00 C ATOM 600 CD LYS A 44 -4.221 -15.440 1.314 1.00 0.00 C ATOM 601 CE LYS A 44 -3.618 -16.177 2.500 1.00 0.00 C ATOM 602 NZ LYS A 44 -4.429 -15.996 3.736 1.00 0.00 N ATOM 0 H LYS A 44 -8.232 -14.506 -2.116 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.145 -17.012 -1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.506 -14.956 -0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.575 -14.339 0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.163 -16.270 1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.275 -17.080 0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.501 -15.414 0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.425 -14.406 1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.543 -17.239 2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.604 -15.816 2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.890 -16.336 4.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.652 -14.988 3.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.313 -16.538 3.654 1.00 0.00 H new ATOM 616 N GLU A 45 -8.824 -16.945 0.842 1.00 0.00 N ATOM 617 CA GLU A 45 -9.957 -17.003 1.758 1.00 0.00 C ATOM 618 C GLU A 45 -9.691 -16.166 3.006 1.00 0.00 C ATOM 619 O GLU A 45 -9.304 -16.693 4.049 1.00 0.00 O ATOM 620 CB GLU A 45 -10.247 -18.452 2.155 1.00 0.00 C ATOM 621 CG GLU A 45 -10.536 -19.361 0.972 1.00 0.00 C ATOM 622 CD GLU A 45 -11.560 -18.772 0.021 1.00 0.00 C ATOM 623 OE1 GLU A 45 -11.167 -17.967 -0.849 1.00 0.00 O ATOM 624 OE2 GLU A 45 -12.754 -19.116 0.147 1.00 0.00 O ATOM 0 H GLU A 45 -8.217 -17.764 0.869 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.827 -16.593 1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.393 -18.847 2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.100 -18.470 2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.610 -19.552 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.896 -20.323 1.337 1.00 0.00 H new ATOM 631 N ALA A 46 -9.901 -14.859 2.891 1.00 0.00 N ATOM 632 CA ALA A 46 -9.686 -13.949 4.009 1.00 0.00 C ATOM 633 C ALA A 46 -10.990 -13.671 4.750 1.00 0.00 C ATOM 634 O ALA A 46 -12.005 -13.338 4.138 1.00 0.00 O ATOM 635 CB ALA A 46 -9.068 -12.648 3.519 1.00 0.00 C ATOM 0 H ALA A 46 -10.220 -14.406 2.034 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.997 -14.426 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.913 -11.978 4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.111 -12.857 3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.737 -12.176 2.800 1.00 0.00 H new ATOM 641 N VAL A 47 -10.956 -13.812 6.071 1.00 0.00 N ATOM 642 CA VAL A 47 -12.135 -13.576 6.896 1.00 0.00 C ATOM 643 C VAL A 47 -12.536 -12.106 6.873 1.00 0.00 C ATOM 644 O VAL A 47 -13.601 -11.749 6.367 1.00 0.00 O ATOM 645 CB VAL A 47 -11.895 -14.008 8.355 1.00 0.00 C ATOM 646 CG1 VAL A 47 -13.162 -13.837 9.178 1.00 0.00 C ATOM 647 CG2 VAL A 47 -11.404 -15.447 8.410 1.00 0.00 C ATOM 0 H VAL A 47 -10.125 -14.089 6.593 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.941 -14.177 6.475 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.124 -13.368 8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.973 -14.147 10.206 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.466 -12.790 9.165 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.957 -14.451 8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.239 -15.736 9.448 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.151 -16.104 7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.469 -15.534 7.857 1.00 0.00 H new ATOM 657 N THR A 48 -11.677 -11.254 7.424 1.00 0.00 N ATOM 658 CA THR A 48 -11.941 -9.822 7.467 1.00 0.00 C ATOM 659 C THR A 48 -11.958 -9.223 6.065 1.00 0.00 C ATOM 660 O THR A 48 -11.346 -9.761 5.143 1.00 0.00 O ATOM 661 CB THR A 48 -10.891 -9.082 8.316 1.00 0.00 C ATOM 662 OG1 THR A 48 -11.227 -7.693 8.411 1.00 0.00 O ATOM 663 CG2 THR A 48 -9.503 -9.233 7.712 1.00 0.00 C ATOM 0 H THR A 48 -10.791 -11.532 7.847 1.00 0.00 H new ATOM 0 HA THR A 48 -12.922 -9.696 7.925 1.00 0.00 H new ATOM 0 HB THR A 48 -10.886 -9.523 9.313 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.555 -7.230 8.954 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.778 -8.702 8.329 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.238 -10.289 7.669 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.497 -8.816 6.705 1.00 0.00 H new ATOM 671 N SER A 49 -12.663 -8.106 5.912 1.00 0.00 N ATOM 672 CA SER A 49 -12.762 -7.436 4.621 1.00 0.00 C ATOM 673 C SER A 49 -12.262 -5.997 4.716 1.00 0.00 C ATOM 674 O SER A 49 -11.312 -5.612 4.035 1.00 0.00 O ATOM 675 CB SER A 49 -14.208 -7.453 4.123 1.00 0.00 C ATOM 676 OG SER A 49 -14.354 -6.667 2.953 1.00 0.00 O ATOM 0 H SER A 49 -13.174 -7.647 6.666 1.00 0.00 H new ATOM 0 HA SER A 49 -12.134 -7.975 3.911 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.512 -8.479 3.916 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.869 -7.076 4.903 1.00 0.00 H new ATOM 0 HG SER A 49 -15.287 -6.696 2.654 1.00 0.00 H new ATOM 682 N MET A 50 -12.909 -5.208 5.567 1.00 0.00 N ATOM 683 CA MET A 50 -12.530 -3.812 5.753 1.00 0.00 C ATOM 684 C MET A 50 -12.589 -3.052 4.432 1.00 0.00 C ATOM 685 O MET A 50 -11.761 -2.181 4.168 1.00 0.00 O ATOM 686 CB MET A 50 -11.123 -3.718 6.347 1.00 0.00 C ATOM 687 CG MET A 50 -11.052 -4.125 7.809 1.00 0.00 C ATOM 688 SD MET A 50 -9.582 -3.488 8.637 1.00 0.00 S ATOM 689 CE MET A 50 -8.290 -4.325 7.723 1.00 0.00 C ATOM 0 H MET A 50 -13.698 -5.511 6.138 1.00 0.00 H new ATOM 0 HA MET A 50 -13.239 -3.358 6.445 1.00 0.00 H new ATOM 0 HB2 MET A 50 -10.450 -4.352 5.769 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.762 -2.694 6.245 1.00 0.00 H new ATOM 0 HG2 MET A 50 -11.941 -3.764 8.326 1.00 0.00 H new ATOM 0 HG3 MET A 50 -11.062 -5.213 7.880 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.323 -4.103 8.174 1.00 0.00 H new ATOM 0 HE2 MET A 50 -8.464 -5.401 7.749 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.295 -3.981 6.689 1.00 0.00 H new ATOM 699 N GLY A 51 -13.573 -3.388 3.604 1.00 0.00 N ATOM 700 CA GLY A 51 -13.721 -2.728 2.320 1.00 0.00 C ATOM 701 C GLY A 51 -13.129 -3.535 1.181 1.00 0.00 C ATOM 702 O GLY A 51 -12.782 -4.703 1.354 1.00 0.00 O ATOM 0 H GLY A 51 -14.271 -4.106 3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.779 -2.552 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.238 -1.752 2.359 1.00 0.00 H new ATOM 706 N GLY A 52 -13.013 -2.911 0.013 1.00 0.00 N ATOM 707 CA GLY A 52 -12.460 -3.595 -1.142 1.00 0.00 C ATOM 708 C GLY A 52 -11.375 -2.789 -1.828 1.00 0.00 C ATOM 709 O GLY A 52 -11.142 -2.941 -3.027 1.00 0.00 O ATOM 0 H GLY A 52 -13.292 -1.944 -0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.052 -4.556 -0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.259 -3.803 -1.854 1.00 0.00 H new ATOM 713 N LYS A 53 -10.709 -1.928 -1.066 1.00 0.00 N ATOM 714 CA LYS A 53 -9.642 -1.094 -1.607 1.00 0.00 C ATOM 715 C LYS A 53 -8.288 -1.509 -1.041 1.00 0.00 C ATOM 716 O LYS A 53 -8.092 -1.531 0.174 1.00 0.00 O ATOM 717 CB LYS A 53 -9.909 0.379 -1.290 1.00 0.00 C ATOM 718 CG LYS A 53 -9.373 1.334 -2.344 1.00 0.00 C ATOM 719 CD LYS A 53 -9.501 2.782 -1.900 1.00 0.00 C ATOM 720 CE LYS A 53 -8.497 3.121 -0.809 1.00 0.00 C ATOM 721 NZ LYS A 53 -9.070 2.925 0.552 1.00 0.00 N ATOM 0 H LYS A 53 -10.889 -1.789 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.621 -1.229 -2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.983 0.531 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.458 0.623 -0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.326 1.105 -2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.916 1.189 -3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.347 3.441 -2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.512 2.964 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.611 2.496 -0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.174 4.156 -0.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.115 3.840 1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.028 2.528 0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.468 2.270 1.091 1.00 0.00 H new ATOM 735 N SER A 54 -7.355 -1.836 -1.931 1.00 0.00 N ATOM 736 CA SER A 54 -6.020 -2.253 -1.520 1.00 0.00 C ATOM 737 C SER A 54 -5.406 -1.239 -0.559 1.00 0.00 C ATOM 738 O SER A 54 -5.106 -0.108 -0.940 1.00 0.00 O ATOM 739 CB SER A 54 -5.117 -2.424 -2.743 1.00 0.00 C ATOM 740 OG SER A 54 -5.179 -1.287 -3.586 1.00 0.00 O ATOM 0 H SER A 54 -7.500 -1.820 -2.941 1.00 0.00 H new ATOM 0 HA SER A 54 -6.108 -3.210 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.089 -2.585 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.419 -3.311 -3.300 1.00 0.00 H new ATOM 0 HG SER A 54 -4.334 -0.794 -3.533 1.00 0.00 H new ATOM 746 N SER A 55 -5.222 -1.654 0.691 1.00 0.00 N ATOM 747 CA SER A 55 -4.648 -0.782 1.709 1.00 0.00 C ATOM 748 C SER A 55 -3.158 -1.060 1.885 1.00 0.00 C ATOM 749 O SER A 55 -2.575 -1.867 1.160 1.00 0.00 O ATOM 750 CB SER A 55 -5.375 -0.971 3.042 1.00 0.00 C ATOM 751 OG SER A 55 -5.592 -2.345 3.313 1.00 0.00 O ATOM 0 H SER A 55 -5.462 -2.588 1.022 1.00 0.00 H new ATOM 0 HA SER A 55 -4.771 0.250 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.789 -0.526 3.846 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.330 -0.447 3.017 1.00 0.00 H new ATOM 0 HG SER A 55 -6.056 -2.440 4.171 1.00 0.00 H new ATOM 757 N CYS A 56 -2.547 -0.386 2.853 1.00 0.00 N ATOM 758 CA CYS A 56 -1.126 -0.558 3.126 1.00 0.00 C ATOM 759 C CYS A 56 -0.911 -1.372 4.399 1.00 0.00 C ATOM 760 O CYS A 56 -0.940 -0.849 5.513 1.00 0.00 O ATOM 761 CB CYS A 56 -0.442 0.805 3.258 1.00 0.00 C ATOM 762 SG CYS A 56 1.353 0.769 2.948 1.00 0.00 S ATOM 0 H CYS A 56 -3.015 0.285 3.462 1.00 0.00 H new ATOM 0 HA CYS A 56 -0.684 -1.100 2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.907 1.502 2.560 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.619 1.193 4.261 1.00 0.00 H new ATOM 767 N PRO A 57 -0.690 -2.684 4.231 1.00 0.00 N ATOM 768 CA PRO A 57 -0.465 -3.599 5.354 1.00 0.00 C ATOM 769 C PRO A 57 0.878 -3.361 6.036 1.00 0.00 C ATOM 770 O PRO A 57 1.170 -3.949 7.078 1.00 0.00 O ATOM 771 CB PRO A 57 -0.493 -4.981 4.697 1.00 0.00 C ATOM 772 CG PRO A 57 -0.101 -4.735 3.281 1.00 0.00 C ATOM 773 CD PRO A 57 -0.642 -3.376 2.932 1.00 0.00 C ATOM 0 HA PRO A 57 -1.209 -3.470 6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.199 -5.666 5.186 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.484 -5.430 4.761 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.982 -4.765 3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.514 -5.500 2.623 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.003 -2.856 2.224 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.629 -3.442 2.475 1.00 0.00 H new ATOM 781 N VAL A 58 1.692 -2.494 5.443 1.00 0.00 N ATOM 782 CA VAL A 58 3.004 -2.176 5.994 1.00 0.00 C ATOM 783 C VAL A 58 2.894 -1.156 7.122 1.00 0.00 C ATOM 784 O VAL A 58 3.503 -1.316 8.180 1.00 0.00 O ATOM 785 CB VAL A 58 3.950 -1.626 4.910 1.00 0.00 C ATOM 786 CG1 VAL A 58 5.363 -1.484 5.457 1.00 0.00 C ATOM 787 CG2 VAL A 58 3.933 -2.524 3.683 1.00 0.00 C ATOM 0 H VAL A 58 1.466 -1.999 4.580 1.00 0.00 H new ATOM 0 HA VAL A 58 3.416 -3.106 6.387 1.00 0.00 H new ATOM 0 HB VAL A 58 3.599 -0.637 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.017 -1.094 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.358 -0.797 6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.727 -2.459 5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.607 -2.120 2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.258 -3.526 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.921 -2.570 3.280 1.00 0.00 H new ATOM 797 N CYS A 59 2.112 -0.107 6.889 1.00 0.00 N ATOM 798 CA CYS A 59 1.920 0.940 7.885 1.00 0.00 C ATOM 799 C CYS A 59 0.444 1.308 8.011 1.00 0.00 C ATOM 800 O CYS A 59 -0.065 1.507 9.113 1.00 0.00 O ATOM 801 CB CYS A 59 2.736 2.180 7.515 1.00 0.00 C ATOM 802 SG CYS A 59 2.501 2.740 5.798 1.00 0.00 S ATOM 0 H CYS A 59 1.601 0.040 6.019 1.00 0.00 H new ATOM 0 HA CYS A 59 2.265 0.559 8.847 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.469 2.993 8.191 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.793 1.967 7.675 1.00 0.00 H new ATOM 807 N GLY A 60 -0.237 1.395 6.873 1.00 0.00 N ATOM 808 CA GLY A 60 -1.647 1.738 6.877 1.00 0.00 C ATOM 809 C GLY A 60 -1.903 3.144 6.370 1.00 0.00 C ATOM 810 O GLY A 60 -1.948 4.094 7.152 1.00 0.00 O ATOM 0 H GLY A 60 0.162 1.234 5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.193 1.027 6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.038 1.644 7.890 1.00 0.00 H new ATOM 814 N ILE A 61 -2.070 3.277 5.059 1.00 0.00 N ATOM 815 CA ILE A 61 -2.322 4.577 4.449 1.00 0.00 C ATOM 816 C ILE A 61 -3.304 4.459 3.289 1.00 0.00 C ATOM 817 O ILE A 61 -2.926 4.090 2.177 1.00 0.00 O ATOM 818 CB ILE A 61 -1.019 5.223 3.941 1.00 0.00 C ATOM 819 CG1 ILE A 61 -0.032 5.408 5.095 1.00 0.00 C ATOM 820 CG2 ILE A 61 -1.315 6.556 3.270 1.00 0.00 C ATOM 821 CD1 ILE A 61 -0.505 6.392 6.143 1.00 0.00 C ATOM 0 H ILE A 61 -2.035 2.501 4.398 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.754 5.211 5.224 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.566 4.560 3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.146 4.443 5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.923 5.747 4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.384 7.000 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.985 6.397 2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.788 7.227 3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.244 6.473 6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.655 7.369 5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.445 6.044 6.571 1.00 0.00 H new ATOM 833 N SER A 62 -4.567 4.777 3.555 1.00 0.00 N ATOM 834 CA SER A 62 -5.605 4.705 2.533 1.00 0.00 C ATOM 835 C SER A 62 -5.186 5.466 1.279 1.00 0.00 C ATOM 836 O SER A 62 -5.157 6.697 1.268 1.00 0.00 O ATOM 837 CB SER A 62 -6.920 5.270 3.072 1.00 0.00 C ATOM 838 OG SER A 62 -7.321 4.593 4.251 1.00 0.00 O ATOM 0 H SER A 62 -4.896 5.087 4.469 1.00 0.00 H new ATOM 0 HA SER A 62 -5.749 3.657 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.804 6.333 3.281 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.697 5.177 2.313 1.00 0.00 H new ATOM 0 HG SER A 62 -8.163 4.974 4.577 1.00 0.00 H new ATOM 844 N TYR A 63 -4.864 4.725 0.225 1.00 0.00 N ATOM 845 CA TYR A 63 -4.445 5.329 -1.034 1.00 0.00 C ATOM 846 C TYR A 63 -5.349 4.885 -2.180 1.00 0.00 C ATOM 847 O TYR A 63 -6.003 3.845 -2.101 1.00 0.00 O ATOM 848 CB TYR A 63 -2.993 4.960 -1.343 1.00 0.00 C ATOM 849 CG TYR A 63 -2.806 3.509 -1.728 1.00 0.00 C ATOM 850 CD1 TYR A 63 -2.628 2.530 -0.758 1.00 0.00 C ATOM 851 CD2 TYR A 63 -2.806 3.118 -3.061 1.00 0.00 C ATOM 852 CE1 TYR A 63 -2.457 1.204 -1.104 1.00 0.00 C ATOM 853 CE2 TYR A 63 -2.636 1.794 -3.417 1.00 0.00 C ATOM 854 CZ TYR A 63 -2.462 0.841 -2.435 1.00 0.00 C ATOM 855 OH TYR A 63 -2.291 -0.479 -2.786 1.00 0.00 O ATOM 0 H TYR A 63 -4.885 3.705 0.217 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.524 6.411 -0.932 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.631 5.592 -2.154 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.378 5.178 -0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.623 2.811 0.285 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.941 3.862 -3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.320 0.456 -0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.639 1.507 -4.458 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.419 -1.046 -1.997 1.00 0.00 H new ATOM 865 N SER A 64 -5.380 5.680 -3.244 1.00 0.00 N ATOM 866 CA SER A 64 -6.205 5.372 -4.406 1.00 0.00 C ATOM 867 C SER A 64 -5.417 4.567 -5.435 1.00 0.00 C ATOM 868 O SER A 64 -4.209 4.750 -5.589 1.00 0.00 O ATOM 869 CB SER A 64 -6.730 6.661 -5.042 1.00 0.00 C ATOM 870 OG SER A 64 -7.933 6.426 -5.753 1.00 0.00 O ATOM 0 H SER A 64 -4.843 6.543 -3.326 1.00 0.00 H new ATOM 0 HA SER A 64 -7.050 4.771 -4.071 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.902 7.408 -4.268 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.978 7.069 -5.718 1.00 0.00 H new ATOM 0 HG SER A 64 -8.249 7.265 -6.148 1.00 0.00 H new ATOM 876 N PHE A 65 -6.109 3.676 -6.137 1.00 0.00 N ATOM 877 CA PHE A 65 -5.475 2.842 -7.151 1.00 0.00 C ATOM 878 C PHE A 65 -5.891 3.279 -8.552 1.00 0.00 C ATOM 879 O PHE A 65 -5.052 3.441 -9.437 1.00 0.00 O ATOM 880 CB PHE A 65 -5.839 1.372 -6.933 1.00 0.00 C ATOM 881 CG PHE A 65 -5.062 0.427 -7.804 1.00 0.00 C ATOM 882 CD1 PHE A 65 -3.745 0.115 -7.507 1.00 0.00 C ATOM 883 CD2 PHE A 65 -5.648 -0.149 -8.920 1.00 0.00 C ATOM 884 CE1 PHE A 65 -3.027 -0.755 -8.306 1.00 0.00 C ATOM 885 CE2 PHE A 65 -4.935 -1.020 -9.722 1.00 0.00 C ATOM 886 CZ PHE A 65 -3.623 -1.322 -9.416 1.00 0.00 C ATOM 0 H PHE A 65 -7.109 3.513 -6.022 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.395 2.959 -7.059 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.667 1.115 -5.888 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.904 1.237 -7.124 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.274 0.557 -6.641 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.673 0.085 -9.166 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.002 -0.991 -8.063 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.404 -1.464 -10.588 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.064 -2.000 -10.043 1.00 0.00 H new ATOM 896 N GLU A 66 -7.193 3.467 -8.745 1.00 0.00 N ATOM 897 CA GLU A 66 -7.721 3.883 -10.039 1.00 0.00 C ATOM 898 C GLU A 66 -7.046 5.167 -10.514 1.00 0.00 C ATOM 899 O GLU A 66 -6.975 6.152 -9.780 1.00 0.00 O ATOM 900 CB GLU A 66 -9.235 4.091 -9.954 1.00 0.00 C ATOM 901 CG GLU A 66 -9.956 3.853 -11.270 1.00 0.00 C ATOM 902 CD GLU A 66 -11.454 3.696 -11.094 1.00 0.00 C ATOM 903 OE1 GLU A 66 -11.916 3.669 -9.935 1.00 0.00 O ATOM 904 OE2 GLU A 66 -12.164 3.600 -12.117 1.00 0.00 O ATOM 0 H GLU A 66 -7.901 3.338 -8.022 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.510 3.093 -10.760 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.644 3.420 -9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.435 5.108 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.758 4.686 -11.944 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.554 2.958 -11.744 1.00 0.00 H new ATOM 911 N HIS A 67 -6.552 5.147 -11.748 1.00 0.00 N ATOM 912 CA HIS A 67 -5.883 6.308 -12.323 1.00 0.00 C ATOM 913 C HIS A 67 -4.707 6.743 -11.453 1.00 0.00 C ATOM 914 O HIS A 67 -4.530 7.931 -11.178 1.00 0.00 O ATOM 915 CB HIS A 67 -6.870 7.465 -12.482 1.00 0.00 C ATOM 916 CG HIS A 67 -8.099 7.101 -13.256 1.00 0.00 C ATOM 917 ND1 HIS A 67 -8.059 6.451 -14.471 1.00 0.00 N ATOM 918 CD2 HIS A 67 -9.410 7.298 -12.979 1.00 0.00 C ATOM 919 CE1 HIS A 67 -9.291 6.266 -14.910 1.00 0.00 C ATOM 920 NE2 HIS A 67 -10.130 6.770 -14.023 1.00 0.00 N ATOM 0 H HIS A 67 -6.603 4.339 -12.369 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.502 6.028 -13.305 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.164 7.819 -11.494 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -6.368 8.294 -12.981 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.814 7.780 -12.101 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.566 5.784 -15.837 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -11.147 6.768 -14.101 1.00 0.00 H new ATOM 928 N LEU A 68 -3.907 5.775 -11.021 1.00 0.00 N ATOM 929 CA LEU A 68 -2.748 6.057 -10.181 1.00 0.00 C ATOM 930 C LEU A 68 -1.469 6.094 -11.012 1.00 0.00 C ATOM 931 O LEU A 68 -0.541 6.842 -10.707 1.00 0.00 O ATOM 932 CB LEU A 68 -2.623 5.004 -9.079 1.00 0.00 C ATOM 933 CG LEU A 68 -1.354 5.069 -8.229 1.00 0.00 C ATOM 934 CD1 LEU A 68 -1.346 6.328 -7.376 1.00 0.00 C ATOM 935 CD2 LEU A 68 -1.233 3.829 -7.355 1.00 0.00 C ATOM 0 H LEU A 68 -4.039 4.787 -11.238 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.891 7.036 -9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.484 5.096 -8.417 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.678 4.017 -9.539 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.494 5.103 -8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.435 6.357 -6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.384 7.205 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.213 6.326 -6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.324 3.893 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.098 3.763 -6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.190 2.942 -7.986 1.00 0.00 H new ATOM 947 N GLN A 69 -1.430 5.283 -12.064 1.00 0.00 N ATOM 948 CA GLN A 69 -0.265 5.224 -12.940 1.00 0.00 C ATOM 949 C GLN A 69 -0.167 6.480 -13.799 1.00 0.00 C ATOM 950 O GLN A 69 0.926 6.985 -14.053 1.00 0.00 O ATOM 951 CB GLN A 69 -0.335 3.984 -13.833 1.00 0.00 C ATOM 952 CG GLN A 69 -0.336 2.676 -13.059 1.00 0.00 C ATOM 953 CD GLN A 69 0.084 1.494 -13.911 1.00 0.00 C ATOM 954 OE1 GLN A 69 0.098 1.573 -15.140 1.00 0.00 O ATOM 955 NE2 GLN A 69 0.429 0.389 -13.261 1.00 0.00 N ATOM 0 H GLN A 69 -2.191 4.658 -12.331 1.00 0.00 H new ATOM 0 HA GLN A 69 0.626 5.163 -12.315 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.237 4.036 -14.443 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.513 3.991 -14.517 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.338 2.762 -12.206 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.334 2.495 -12.660 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.403 0.368 -12.242 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.720 -0.439 -13.781 1.00 0.00 H new ATOM 964 N ALA A 70 -1.316 6.978 -14.244 1.00 0.00 N ATOM 965 CA ALA A 70 -1.359 8.176 -15.073 1.00 0.00 C ATOM 966 C ALA A 70 -1.364 9.437 -14.216 1.00 0.00 C ATOM 967 O ALA A 70 -0.447 10.253 -14.290 1.00 0.00 O ATOM 968 CB ALA A 70 -2.580 8.146 -15.980 1.00 0.00 C ATOM 0 H ALA A 70 -2.229 6.570 -14.044 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.461 8.193 -15.691 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.600 9.047 -16.594 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.533 7.269 -16.625 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.484 8.101 -15.372 1.00 0.00 H new ATOM 974 N ASN A 71 -2.405 9.591 -13.404 1.00 0.00 N ATOM 975 CA ASN A 71 -2.531 10.754 -12.534 1.00 0.00 C ATOM 976 C ASN A 71 -2.608 12.040 -13.352 1.00 0.00 C ATOM 977 O ASN A 71 -2.084 13.077 -12.947 1.00 0.00 O ATOM 978 CB ASN A 71 -1.348 10.823 -11.566 1.00 0.00 C ATOM 979 CG ASN A 71 -1.659 11.646 -10.331 1.00 0.00 C ATOM 980 OD1 ASN A 71 -1.573 12.874 -10.352 1.00 0.00 O ATOM 981 ND2 ASN A 71 -2.022 10.972 -9.246 1.00 0.00 N ATOM 0 H ASN A 71 -3.174 8.924 -13.331 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.454 10.651 -11.963 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.069 9.813 -11.265 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.487 11.253 -12.078 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.243 11.472 -8.385 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.080 9.954 -9.274 1.00 0.00 H new ATOM 988 N GLN A 72 -3.266 11.963 -14.504 1.00 0.00 N ATOM 989 CA GLN A 72 -3.412 13.120 -15.379 1.00 0.00 C ATOM 990 C GLN A 72 -4.722 13.850 -15.103 1.00 0.00 C ATOM 991 O GLN A 72 -4.826 15.060 -15.306 1.00 0.00 O ATOM 992 CB GLN A 72 -3.354 12.688 -16.845 1.00 0.00 C ATOM 993 CG GLN A 72 -4.543 11.846 -17.279 1.00 0.00 C ATOM 994 CD GLN A 72 -4.258 11.033 -18.526 1.00 0.00 C ATOM 995 OE1 GLN A 72 -3.255 11.249 -19.207 1.00 0.00 O ATOM 996 NE2 GLN A 72 -5.142 10.091 -18.833 1.00 0.00 N ATOM 0 H GLN A 72 -3.706 11.112 -14.853 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.587 13.803 -15.176 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.299 13.576 -17.475 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.438 12.121 -17.012 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.823 11.174 -16.468 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.397 12.498 -17.462 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.959 9.946 -18.240 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.004 9.512 -19.661 1.00 0.00 H new ATOM 1005 N HIS A 73 -5.721 13.106 -14.639 1.00 0.00 N ATOM 1006 CA HIS A 73 -7.026 13.683 -14.334 1.00 0.00 C ATOM 1007 C HIS A 73 -7.691 12.941 -13.178 1.00 0.00 C ATOM 1008 O HIS A 73 -7.289 11.832 -12.825 1.00 0.00 O ATOM 1009 CB HIS A 73 -7.927 13.640 -15.569 1.00 0.00 C ATOM 1010 CG HIS A 73 -7.748 14.813 -16.482 1.00 0.00 C ATOM 1011 ND1 HIS A 73 -8.453 15.990 -16.341 1.00 0.00 N ATOM 1012 CD2 HIS A 73 -6.938 14.988 -17.552 1.00 0.00 C ATOM 1013 CE1 HIS A 73 -8.085 16.837 -17.285 1.00 0.00 C ATOM 1014 NE2 HIS A 73 -7.166 16.253 -18.033 1.00 0.00 N ATOM 0 H HIS A 73 -5.652 12.103 -14.466 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.877 14.721 -14.038 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.725 12.724 -16.124 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.968 13.595 -15.248 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.242 14.266 -17.953 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.470 17.837 -17.422 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.701 16.674 -18.838 1.00 0.00 H new ATOM 1022 N LEU A 74 -8.710 13.561 -12.592 1.00 0.00 N ATOM 1023 CA LEU A 74 -9.431 12.961 -11.475 1.00 0.00 C ATOM 1024 C LEU A 74 -10.783 12.420 -11.928 1.00 0.00 C ATOM 1025 O LEU A 74 -11.266 11.414 -11.408 1.00 0.00 O ATOM 1026 CB LEU A 74 -9.627 13.987 -10.358 1.00 0.00 C ATOM 1027 CG LEU A 74 -8.367 14.397 -9.595 1.00 0.00 C ATOM 1028 CD1 LEU A 74 -7.645 15.521 -10.320 1.00 0.00 C ATOM 1029 CD2 LEU A 74 -8.717 14.814 -8.174 1.00 0.00 C ATOM 0 H LEU A 74 -9.055 14.479 -12.872 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.837 12.130 -11.095 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.074 14.883 -10.789 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.345 13.584 -9.644 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.699 13.537 -9.546 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.751 15.799 -9.762 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.360 15.187 -11.318 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.305 16.385 -10.401 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.809 15.103 -7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.405 15.659 -8.202 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.189 13.979 -7.656 1.00 0.00 H new ATOM 1041 N ALA A 75 -11.388 13.093 -12.901 1.00 0.00 N ATOM 1042 CA ALA A 75 -12.683 12.678 -13.427 1.00 0.00 C ATOM 1043 C ALA A 75 -12.745 12.861 -14.939 1.00 0.00 C ATOM 1044 O ALA A 75 -11.944 13.592 -15.519 1.00 0.00 O ATOM 1045 CB ALA A 75 -13.801 13.459 -12.752 1.00 0.00 C ATOM 0 H ALA A 75 -11.002 13.928 -13.341 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.813 11.618 -13.210 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.762 13.139 -13.154 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -13.777 13.274 -11.678 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -13.665 14.524 -12.940 1.00 0.00 H new ATOM 1051 N ASN A 76 -13.702 12.190 -15.573 1.00 0.00 N ATOM 1052 CA ASN A 76 -13.868 12.278 -17.019 1.00 0.00 C ATOM 1053 C ASN A 76 -15.324 12.550 -17.384 1.00 0.00 C ATOM 1054 O ASN A 76 -16.228 12.330 -16.578 1.00 0.00 O ATOM 1055 CB ASN A 76 -13.396 10.985 -17.687 1.00 0.00 C ATOM 1056 CG ASN A 76 -11.895 10.959 -17.902 1.00 0.00 C ATOM 1057 OD1 ASN A 76 -11.143 10.481 -17.053 1.00 0.00 O ATOM 1058 ND2 ASN A 76 -11.453 11.476 -19.043 1.00 0.00 N ATOM 0 H ASN A 76 -14.374 11.580 -15.108 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.261 13.108 -17.380 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.687 10.134 -17.071 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.900 10.870 -18.647 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.453 11.488 -19.244 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.114 11.861 -19.718 1.00 0.00 H new ATOM 1065 N ILE A 77 -15.542 13.030 -18.604 1.00 0.00 N ATOM 1066 CA ILE A 77 -16.888 13.331 -19.076 1.00 0.00 C ATOM 1067 C ILE A 77 -17.527 12.110 -19.729 1.00 0.00 C ATOM 1068 O ILE A 77 -18.715 12.116 -20.054 1.00 0.00 O ATOM 1069 CB ILE A 77 -16.884 14.495 -20.084 1.00 0.00 C ATOM 1070 CG1 ILE A 77 -18.315 14.956 -20.370 1.00 0.00 C ATOM 1071 CG2 ILE A 77 -16.190 14.078 -21.372 1.00 0.00 C ATOM 1072 CD1 ILE A 77 -18.389 16.281 -21.095 1.00 0.00 C ATOM 0 H ILE A 77 -14.804 13.219 -19.283 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.472 13.620 -18.202 1.00 0.00 H new ATOM 0 HB ILE A 77 -16.333 15.329 -19.650 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -18.821 14.196 -20.966 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.858 15.036 -19.428 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.195 14.911 -22.074 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.161 13.793 -21.155 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -16.716 13.230 -21.811 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.433 16.545 -21.264 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -17.913 17.053 -20.491 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.875 16.201 -22.053 1.00 0.00 H new ATOM 1084 N VAL A 78 -16.731 11.062 -19.917 1.00 0.00 N ATOM 1085 CA VAL A 78 -17.220 9.831 -20.529 1.00 0.00 C ATOM 1086 C VAL A 78 -17.162 8.668 -19.545 1.00 0.00 C ATOM 1087 O VAL A 78 -16.690 8.818 -18.419 1.00 0.00 O ATOM 1088 CB VAL A 78 -16.405 9.467 -21.785 1.00 0.00 C ATOM 1089 CG1 VAL A 78 -16.532 10.557 -22.838 1.00 0.00 C ATOM 1090 CG2 VAL A 78 -14.947 9.231 -21.424 1.00 0.00 C ATOM 0 H VAL A 78 -15.746 11.040 -19.655 1.00 0.00 H new ATOM 0 HA VAL A 78 -18.256 10.010 -20.816 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.806 8.543 -22.202 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.950 10.283 -23.718 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.579 10.673 -23.117 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.158 11.498 -22.435 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.386 8.975 -22.323 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.530 10.136 -20.982 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.877 8.412 -20.708 1.00 0.00 H new ATOM 1100 N GLU A 79 -17.646 7.509 -19.979 1.00 0.00 N ATOM 1101 CA GLU A 79 -17.650 6.319 -19.135 1.00 0.00 C ATOM 1102 C GLU A 79 -16.758 5.231 -19.724 1.00 0.00 C ATOM 1103 O GLU A 79 -16.455 4.237 -19.065 1.00 0.00 O ATOM 1104 CB GLU A 79 -19.076 5.790 -18.968 1.00 0.00 C ATOM 1105 CG GLU A 79 -19.756 5.447 -20.283 1.00 0.00 C ATOM 1106 CD GLU A 79 -21.149 4.880 -20.089 1.00 0.00 C ATOM 1107 OE1 GLU A 79 -21.915 5.449 -19.283 1.00 0.00 O ATOM 1108 OE2 GLU A 79 -21.473 3.867 -20.743 1.00 0.00 O ATOM 0 H GLU A 79 -18.040 7.368 -20.909 1.00 0.00 H new ATOM 0 HA GLU A 79 -17.256 6.597 -18.157 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -19.053 4.901 -18.338 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -19.673 6.537 -18.444 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -19.815 6.343 -20.901 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -19.146 4.725 -20.826 1.00 0.00 H new TER 1115 GLU A 79 HETATM 1116 ZN ZN A 200 4.798 -9.001 -2.278 1.00 0.00 ZN HETATM 1117 ZN ZN A 400 3.033 2.183 3.682 1.00 0.00 ZN