USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 625 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 24 HIS HD1 : A 24 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 50 HIS HD1 : A 50 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 30 ASN : amide:sc= -0.371 X(o=-1.6,f=-1.3) USER MOD Set 1.2: A 31 MET CE :methyl 178:sc= -1.26 (180deg=-1.29) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0595 (180deg=0) USER MOD Single : A 2 SER OG : rot -7:sc= 0.977 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 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.5!) USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= -0.0437 (180deg=-0.307) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.657 K(o=-0.66,f=-4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.689 K(o=0.69,f=-3.3!) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0425) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.052) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0227) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0277 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -44.055 17.977 -8.695 1.00 0.00 N ATOM 2 CA GLY A 1 -42.949 17.080 -8.414 1.00 0.00 C ATOM 3 C GLY A 1 -43.242 15.652 -8.830 1.00 0.00 C ATOM 4 O GLY A 1 -44.105 15.408 -9.673 1.00 0.00 O ATOM 0 H1 GLY A 1 -43.712 18.788 -9.249 1.00 0.00 H new ATOM 0 H2 GLY A 1 -44.784 17.470 -9.237 1.00 0.00 H new ATOM 0 H3 GLY A 1 -44.462 18.317 -7.800 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -42.058 17.432 -8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -42.726 17.106 -7.347 1.00 0.00 H new ATOM 8 N SER A 2 -42.520 14.705 -8.239 1.00 0.00 N ATOM 9 CA SER A 2 -42.703 13.294 -8.556 1.00 0.00 C ATOM 10 C SER A 2 -42.138 12.410 -7.449 1.00 0.00 C ATOM 11 O SER A 2 -41.262 12.828 -6.692 1.00 0.00 O ATOM 12 CB SER A 2 -42.028 12.958 -9.887 1.00 0.00 C ATOM 13 OG SER A 2 -42.690 13.589 -10.969 1.00 0.00 O ATOM 0 H SER A 2 -41.803 14.890 -7.538 1.00 0.00 H new ATOM 0 HA SER A 2 -43.773 13.101 -8.640 1.00 0.00 H new ATOM 0 HB2 SER A 2 -40.986 13.275 -9.860 1.00 0.00 H new ATOM 0 HB3 SER A 2 -42.029 11.878 -10.036 1.00 0.00 H new ATOM 0 HG SER A 2 -43.506 14.024 -10.644 1.00 0.00 H new ATOM 19 N SER A 3 -42.646 11.185 -7.361 1.00 0.00 N ATOM 20 CA SER A 3 -42.195 10.242 -6.344 1.00 0.00 C ATOM 21 C SER A 3 -41.754 8.927 -6.980 1.00 0.00 C ATOM 22 O SER A 3 -42.422 8.398 -7.866 1.00 0.00 O ATOM 23 CB SER A 3 -43.311 9.981 -5.330 1.00 0.00 C ATOM 24 OG SER A 3 -42.793 9.426 -4.134 1.00 0.00 O ATOM 0 H SER A 3 -43.370 10.822 -7.981 1.00 0.00 H new ATOM 0 HA SER A 3 -41.341 10.682 -5.829 1.00 0.00 H new ATOM 0 HB2 SER A 3 -43.830 10.913 -5.107 1.00 0.00 H new ATOM 0 HB3 SER A 3 -44.047 9.302 -5.761 1.00 0.00 H new ATOM 0 HG SER A 3 -43.525 9.270 -3.502 1.00 0.00 H new ATOM 30 N GLY A 4 -40.621 8.405 -6.519 1.00 0.00 N ATOM 31 CA GLY A 4 -40.108 7.157 -7.054 1.00 0.00 C ATOM 32 C GLY A 4 -39.305 6.376 -6.032 1.00 0.00 C ATOM 33 O GLY A 4 -38.619 6.959 -5.194 1.00 0.00 O ATOM 0 H GLY A 4 -40.050 8.824 -5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -40.940 6.545 -7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -39.481 7.367 -7.921 1.00 0.00 H new ATOM 37 N SER A 5 -39.393 5.051 -6.101 1.00 0.00 N ATOM 38 CA SER A 5 -38.674 4.188 -5.171 1.00 0.00 C ATOM 39 C SER A 5 -38.013 3.027 -5.908 1.00 0.00 C ATOM 40 O SER A 5 -38.329 2.752 -7.066 1.00 0.00 O ATOM 41 CB SER A 5 -39.625 3.651 -4.101 1.00 0.00 C ATOM 42 OG SER A 5 -38.912 3.213 -2.957 1.00 0.00 O ATOM 0 H SER A 5 -39.955 4.552 -6.791 1.00 0.00 H new ATOM 0 HA SER A 5 -37.896 4.782 -4.691 1.00 0.00 H new ATOM 0 HB2 SER A 5 -40.333 4.429 -3.816 1.00 0.00 H new ATOM 0 HB3 SER A 5 -40.207 2.825 -4.509 1.00 0.00 H new ATOM 0 HG SER A 5 -39.543 2.876 -2.287 1.00 0.00 H new ATOM 48 N SER A 6 -37.093 2.350 -5.229 1.00 0.00 N ATOM 49 CA SER A 6 -36.383 1.222 -5.819 1.00 0.00 C ATOM 50 C SER A 6 -35.502 0.532 -4.782 1.00 0.00 C ATOM 51 O SER A 6 -35.293 1.049 -3.685 1.00 0.00 O ATOM 52 CB SER A 6 -35.530 1.689 -7.000 1.00 0.00 C ATOM 53 OG SER A 6 -34.288 2.210 -6.558 1.00 0.00 O ATOM 0 H SER A 6 -36.822 2.563 -4.269 1.00 0.00 H new ATOM 0 HA SER A 6 -37.123 0.506 -6.176 1.00 0.00 H new ATOM 0 HB2 SER A 6 -35.357 0.855 -7.680 1.00 0.00 H new ATOM 0 HB3 SER A 6 -36.068 2.452 -7.562 1.00 0.00 H new ATOM 0 HG SER A 6 -33.761 2.500 -7.332 1.00 0.00 H new ATOM 59 N GLY A 7 -34.986 -0.641 -5.138 1.00 0.00 N ATOM 60 CA GLY A 7 -34.134 -1.384 -4.229 1.00 0.00 C ATOM 61 C GLY A 7 -32.728 -1.563 -4.768 1.00 0.00 C ATOM 62 O GLY A 7 -32.037 -0.586 -5.057 1.00 0.00 O ATOM 0 H GLY A 7 -35.143 -1.090 -6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -34.089 -0.865 -3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -34.575 -2.363 -4.041 1.00 0.00 H new ATOM 66 N VAL A 8 -32.302 -2.815 -4.901 1.00 0.00 N ATOM 67 CA VAL A 8 -30.969 -3.119 -5.408 1.00 0.00 C ATOM 68 C VAL A 8 -30.817 -4.608 -5.695 1.00 0.00 C ATOM 69 O VAL A 8 -31.406 -5.445 -5.012 1.00 0.00 O ATOM 70 CB VAL A 8 -29.878 -2.685 -4.412 1.00 0.00 C ATOM 71 CG1 VAL A 8 -30.269 -3.064 -2.992 1.00 0.00 C ATOM 72 CG2 VAL A 8 -28.539 -3.302 -4.787 1.00 0.00 C ATOM 0 H VAL A 8 -32.861 -3.635 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 8 -30.847 -2.559 -6.335 1.00 0.00 H new ATOM 0 HB VAL A 8 -29.779 -1.601 -4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -29.486 -2.749 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -31.204 -2.571 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -30.398 -4.144 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -27.779 -2.985 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -28.622 -4.389 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -28.255 -2.975 -5.787 1.00 0.00 H new ATOM 82 N GLU A 9 -30.022 -4.932 -6.710 1.00 0.00 N ATOM 83 CA GLU A 9 -29.793 -6.321 -7.088 1.00 0.00 C ATOM 84 C GLU A 9 -28.405 -6.782 -6.651 1.00 0.00 C ATOM 85 O GLU A 9 -27.438 -6.020 -6.664 1.00 0.00 O ATOM 86 CB GLU A 9 -29.948 -6.495 -8.600 1.00 0.00 C ATOM 87 CG GLU A 9 -28.890 -5.761 -9.408 1.00 0.00 C ATOM 88 CD GLU A 9 -29.275 -5.605 -10.866 1.00 0.00 C ATOM 89 OE1 GLU A 9 -29.948 -6.510 -11.402 1.00 0.00 O ATOM 90 OE2 GLU A 9 -28.902 -4.579 -11.472 1.00 0.00 O ATOM 0 H GLU A 9 -29.526 -4.251 -7.285 1.00 0.00 H new ATOM 0 HA GLU A 9 -30.537 -6.935 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -29.906 -7.557 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -30.934 -6.139 -8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -28.724 -4.776 -8.972 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -27.946 -6.302 -9.341 1.00 0.00 H new ATOM 97 N PRO A 10 -28.304 -8.059 -6.254 1.00 0.00 N ATOM 98 CA PRO A 10 -27.040 -8.651 -5.806 1.00 0.00 C ATOM 99 C PRO A 10 -26.044 -8.824 -6.947 1.00 0.00 C ATOM 100 O PRO A 10 -26.389 -9.334 -8.013 1.00 0.00 O ATOM 101 CB PRO A 10 -27.463 -10.014 -5.253 1.00 0.00 C ATOM 102 CG PRO A 10 -28.727 -10.339 -5.972 1.00 0.00 C ATOM 103 CD PRO A 10 -29.416 -9.024 -6.213 1.00 0.00 C ATOM 0 HA PRO A 10 -26.530 -8.020 -5.078 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -26.699 -10.770 -5.435 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -27.620 -9.972 -4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -28.521 -10.850 -6.913 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -29.353 -11.005 -5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -29.978 -9.030 -7.147 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -30.123 -8.789 -5.417 1.00 0.00 H new ATOM 111 N VAL A 11 -24.806 -8.397 -6.717 1.00 0.00 N ATOM 112 CA VAL A 11 -23.760 -8.507 -7.726 1.00 0.00 C ATOM 113 C VAL A 11 -23.688 -9.920 -8.292 1.00 0.00 C ATOM 114 O VAL A 11 -23.797 -10.912 -7.570 1.00 0.00 O ATOM 115 CB VAL A 11 -22.383 -8.127 -7.150 1.00 0.00 C ATOM 116 CG1 VAL A 11 -22.086 -8.935 -5.896 1.00 0.00 C ATOM 117 CG2 VAL A 11 -21.295 -8.328 -8.193 1.00 0.00 C ATOM 0 H VAL A 11 -24.504 -7.972 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 11 -24.017 -7.811 -8.525 1.00 0.00 H new ATOM 0 HB VAL A 11 -22.402 -7.072 -6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -21.109 -8.652 -5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -22.850 -8.735 -5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -22.086 -9.997 -6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -20.329 -8.055 -7.768 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -21.274 -9.374 -8.500 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -21.501 -7.700 -9.060 1.00 0.00 H new ATOM 127 N PRO A 12 -23.501 -10.018 -9.617 1.00 0.00 N ATOM 128 CA PRO A 12 -23.410 -11.306 -10.311 1.00 0.00 C ATOM 129 C PRO A 12 -22.125 -12.056 -9.975 1.00 0.00 C ATOM 130 O PRO A 12 -21.036 -11.481 -9.994 1.00 0.00 O ATOM 131 CB PRO A 12 -23.429 -10.914 -11.790 1.00 0.00 C ATOM 132 CG PRO A 12 -22.905 -9.520 -11.820 1.00 0.00 C ATOM 133 CD PRO A 12 -23.363 -8.879 -10.539 1.00 0.00 C ATOM 0 HA PRO A 12 -24.216 -11.981 -10.025 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -22.807 -11.583 -12.385 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -24.437 -10.967 -12.200 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -21.817 -9.513 -11.893 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -23.286 -8.978 -12.686 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -22.639 -8.151 -10.173 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -24.308 -8.351 -10.669 1.00 0.00 H new ATOM 141 N ASP A 13 -22.259 -13.341 -9.667 1.00 0.00 N ATOM 142 CA ASP A 13 -21.108 -14.170 -9.329 1.00 0.00 C ATOM 143 C ASP A 13 -20.068 -14.138 -10.444 1.00 0.00 C ATOM 144 O ASP A 13 -20.208 -14.821 -11.459 1.00 0.00 O ATOM 145 CB ASP A 13 -21.549 -15.611 -9.068 1.00 0.00 C ATOM 146 CG ASP A 13 -22.497 -16.128 -10.132 1.00 0.00 C ATOM 147 OD1 ASP A 13 -22.035 -16.388 -11.263 1.00 0.00 O ATOM 148 OD2 ASP A 13 -23.701 -16.273 -9.834 1.00 0.00 O ATOM 0 H ASP A 13 -23.153 -13.831 -9.644 1.00 0.00 H new ATOM 0 HA ASP A 13 -20.655 -13.767 -8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -20.670 -16.255 -9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -22.035 -15.668 -8.094 1.00 0.00 H new ATOM 153 N THR A 14 -19.023 -13.339 -10.249 1.00 0.00 N ATOM 154 CA THR A 14 -17.960 -13.216 -11.239 1.00 0.00 C ATOM 155 C THR A 14 -17.232 -14.541 -11.432 1.00 0.00 C ATOM 156 O THR A 14 -16.941 -15.247 -10.466 1.00 0.00 O ATOM 157 CB THR A 14 -16.939 -12.136 -10.835 1.00 0.00 C ATOM 158 OG1 THR A 14 -15.699 -12.354 -11.516 1.00 0.00 O ATOM 159 CG2 THR A 14 -16.706 -12.146 -9.332 1.00 0.00 C ATOM 0 H THR A 14 -18.890 -12.768 -9.415 1.00 0.00 H new ATOM 0 HA THR A 14 -18.434 -12.925 -12.177 1.00 0.00 H new ATOM 0 HB THR A 14 -17.342 -11.164 -11.118 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.056 -11.662 -11.254 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.981 -11.375 -9.071 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.646 -11.950 -8.817 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.323 -13.121 -9.030 1.00 0.00 H new ATOM 167 N HIS A 15 -16.939 -14.873 -12.685 1.00 0.00 N ATOM 168 CA HIS A 15 -16.242 -16.114 -13.004 1.00 0.00 C ATOM 169 C HIS A 15 -14.738 -15.960 -12.804 1.00 0.00 C ATOM 170 O HIS A 15 -14.253 -14.876 -12.476 1.00 0.00 O ATOM 171 CB HIS A 15 -16.536 -16.532 -14.445 1.00 0.00 C ATOM 172 CG HIS A 15 -17.907 -17.107 -14.634 1.00 0.00 C ATOM 173 ND1 HIS A 15 -18.193 -18.079 -15.570 1.00 0.00 N ATOM 174 CD2 HIS A 15 -19.073 -16.842 -14.000 1.00 0.00 C ATOM 175 CE1 HIS A 15 -19.476 -18.385 -15.504 1.00 0.00 C ATOM 176 NE2 HIS A 15 -20.033 -17.649 -14.559 1.00 0.00 N ATOM 0 H HIS A 15 -17.173 -14.300 -13.496 1.00 0.00 H new ATOM 0 HA HIS A 15 -16.603 -16.889 -12.327 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -16.421 -15.666 -15.097 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -15.796 -17.268 -14.759 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -19.221 -16.129 -13.203 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.984 -19.114 -16.119 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -21.016 -17.676 -14.289 1.00 0.00 H new ATOM 184 N LEU A 16 -14.005 -17.050 -13.002 1.00 0.00 N ATOM 185 CA LEU A 16 -12.555 -17.036 -12.842 1.00 0.00 C ATOM 186 C LEU A 16 -11.861 -16.816 -14.183 1.00 0.00 C ATOM 187 O LEU A 16 -10.743 -17.283 -14.399 1.00 0.00 O ATOM 188 CB LEU A 16 -12.078 -18.348 -12.218 1.00 0.00 C ATOM 189 CG LEU A 16 -12.285 -18.488 -10.709 1.00 0.00 C ATOM 190 CD1 LEU A 16 -13.743 -18.785 -10.396 1.00 0.00 C ATOM 191 CD2 LEU A 16 -11.384 -19.577 -10.145 1.00 0.00 C ATOM 0 H LEU A 16 -14.391 -17.954 -13.274 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.296 -16.210 -12.179 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.593 -19.171 -12.713 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.015 -18.463 -12.431 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.018 -17.543 -10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -13.871 -18.881 -9.318 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.367 -17.971 -10.764 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.037 -19.716 -10.881 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.545 -19.662 -9.070 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.619 -20.528 -10.624 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.342 -19.322 -10.337 1.00 0.00 H new ATOM 203 N ARG A 17 -12.532 -16.101 -15.080 1.00 0.00 N ATOM 204 CA ARG A 17 -11.980 -15.818 -16.400 1.00 0.00 C ATOM 205 C ARG A 17 -11.613 -14.343 -16.531 1.00 0.00 C ATOM 206 O ARG A 17 -11.853 -13.723 -17.566 1.00 0.00 O ATOM 207 CB ARG A 17 -12.982 -16.205 -17.489 1.00 0.00 C ATOM 208 CG ARG A 17 -12.330 -16.614 -18.799 1.00 0.00 C ATOM 209 CD ARG A 17 -11.689 -17.989 -18.697 1.00 0.00 C ATOM 210 NE ARG A 17 -12.644 -19.060 -18.971 1.00 0.00 N ATOM 211 CZ ARG A 17 -12.399 -20.342 -18.729 1.00 0.00 C ATOM 212 NH1 ARG A 17 -11.236 -20.712 -18.209 1.00 0.00 N ATOM 213 NH2 ARG A 17 -13.318 -21.258 -19.005 1.00 0.00 N ATOM 0 H ARG A 17 -13.459 -15.707 -14.917 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.074 -16.412 -16.522 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.599 -17.028 -17.128 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.649 -15.363 -17.673 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.077 -16.618 -19.593 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.574 -15.879 -19.076 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.859 -18.055 -19.400 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.272 -18.122 -17.699 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.549 -18.809 -19.370 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.527 -20.011 -17.994 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.051 -21.698 -18.024 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.214 -20.978 -19.404 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.129 -22.243 -18.819 1.00 0.00 H new ATOM 227 N GLY A 18 -11.031 -13.786 -15.473 1.00 0.00 N ATOM 228 CA GLY A 18 -10.641 -12.388 -15.490 1.00 0.00 C ATOM 229 C GLY A 18 -10.157 -11.905 -14.138 1.00 0.00 C ATOM 230 O GLY A 18 -10.938 -11.800 -13.192 1.00 0.00 O ATOM 0 H GLY A 18 -10.823 -14.278 -14.604 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.852 -12.243 -16.228 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.489 -11.781 -15.807 1.00 0.00 H new ATOM 234 N ILE A 19 -8.864 -11.611 -14.045 1.00 0.00 N ATOM 235 CA ILE A 19 -8.277 -11.137 -12.798 1.00 0.00 C ATOM 236 C ILE A 19 -8.478 -9.635 -12.632 1.00 0.00 C ATOM 237 O ILE A 19 -8.140 -8.849 -13.519 1.00 0.00 O ATOM 238 CB ILE A 19 -6.771 -11.452 -12.730 1.00 0.00 C ATOM 239 CG1 ILE A 19 -6.547 -12.965 -12.669 1.00 0.00 C ATOM 240 CG2 ILE A 19 -6.141 -10.769 -11.525 1.00 0.00 C ATOM 241 CD1 ILE A 19 -6.601 -13.638 -14.023 1.00 0.00 C ATOM 0 H ILE A 19 -8.204 -11.693 -14.818 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.787 -11.661 -11.990 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.293 -11.069 -13.631 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.577 -13.163 -12.212 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.301 -13.410 -12.020 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.077 -11.001 -11.491 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.275 -9.690 -11.607 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.620 -11.126 -10.613 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.434 -14.709 -13.904 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.579 -13.471 -14.473 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.828 -13.220 -14.668 1.00 0.00 H new ATOM 253 N THR A 20 -9.030 -9.240 -11.489 1.00 0.00 N ATOM 254 CA THR A 20 -9.276 -7.832 -11.205 1.00 0.00 C ATOM 255 C THR A 20 -8.340 -7.318 -10.118 1.00 0.00 C ATOM 256 O THR A 20 -7.467 -8.044 -9.641 1.00 0.00 O ATOM 257 CB THR A 20 -10.734 -7.593 -10.767 1.00 0.00 C ATOM 258 OG1 THR A 20 -11.105 -8.545 -9.763 1.00 0.00 O ATOM 259 CG2 THR A 20 -11.680 -7.703 -11.952 1.00 0.00 C ATOM 0 H THR A 20 -9.315 -9.876 -10.745 1.00 0.00 H new ATOM 0 HA THR A 20 -9.088 -7.286 -12.130 1.00 0.00 H new ATOM 0 HB THR A 20 -10.807 -6.586 -10.357 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.032 -8.386 -9.488 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.703 -7.531 -11.618 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.412 -6.958 -12.701 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.604 -8.699 -12.387 1.00 0.00 H new ATOM 267 N CYS A 21 -8.527 -6.061 -9.728 1.00 0.00 N ATOM 268 CA CYS A 21 -7.699 -5.450 -8.695 1.00 0.00 C ATOM 269 C CYS A 21 -8.250 -5.754 -7.305 1.00 0.00 C ATOM 270 O CYS A 21 -9.462 -5.865 -7.116 1.00 0.00 O ATOM 271 CB CYS A 21 -7.621 -3.936 -8.905 1.00 0.00 C ATOM 272 SG CYS A 21 -6.963 -3.020 -7.474 1.00 0.00 S ATOM 0 H CYS A 21 -9.245 -5.446 -10.112 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.697 -5.873 -8.770 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.994 -3.732 -9.773 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.618 -3.560 -9.136 1.00 0.00 H new ATOM 277 N LEU A 22 -7.352 -5.888 -6.335 1.00 0.00 N ATOM 278 CA LEU A 22 -7.746 -6.179 -4.961 1.00 0.00 C ATOM 279 C LEU A 22 -8.766 -5.161 -4.461 1.00 0.00 C ATOM 280 O LEU A 22 -9.927 -5.496 -4.222 1.00 0.00 O ATOM 281 CB LEU A 22 -6.520 -6.181 -4.047 1.00 0.00 C ATOM 282 CG LEU A 22 -5.349 -7.055 -4.498 1.00 0.00 C ATOM 283 CD1 LEU A 22 -4.056 -6.593 -3.843 1.00 0.00 C ATOM 284 CD2 LEU A 22 -5.619 -8.517 -4.176 1.00 0.00 C ATOM 0 H LEU A 22 -6.345 -5.800 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.206 -7.167 -4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.165 -5.155 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.831 -6.509 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.241 -6.956 -5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.233 -7.226 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.855 -5.559 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.152 -6.662 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.775 -9.124 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.754 -8.634 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.522 -8.842 -4.692 1.00 0.00 H new ATOM 296 N ASP A 23 -8.326 -3.918 -4.306 1.00 0.00 N ATOM 297 CA ASP A 23 -9.202 -2.850 -3.837 1.00 0.00 C ATOM 298 C ASP A 23 -10.391 -2.670 -4.775 1.00 0.00 C ATOM 299 O ASP A 23 -11.521 -2.466 -4.330 1.00 0.00 O ATOM 300 CB ASP A 23 -8.424 -1.537 -3.722 1.00 0.00 C ATOM 301 CG ASP A 23 -7.145 -1.690 -2.922 1.00 0.00 C ATOM 302 OD1 ASP A 23 -7.230 -1.795 -1.681 1.00 0.00 O ATOM 303 OD2 ASP A 23 -6.059 -1.706 -3.538 1.00 0.00 O ATOM 0 H ASP A 23 -7.368 -3.624 -4.498 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.578 -3.129 -2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.183 -1.172 -4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.056 -0.784 -3.251 1.00 0.00 H new ATOM 308 N HIS A 24 -10.129 -2.747 -6.076 1.00 0.00 N ATOM 309 CA HIS A 24 -11.178 -2.592 -7.077 1.00 0.00 C ATOM 310 C HIS A 24 -11.436 -3.910 -7.801 1.00 0.00 C ATOM 311 O HIS A 24 -10.631 -4.345 -8.623 1.00 0.00 O ATOM 312 CB HIS A 24 -10.793 -1.510 -8.087 1.00 0.00 C ATOM 313 CG HIS A 24 -10.144 -0.313 -7.463 1.00 0.00 C ATOM 314 ND1 HIS A 24 -8.783 -0.213 -7.264 1.00 0.00 N ATOM 315 CD2 HIS A 24 -10.677 0.840 -6.994 1.00 0.00 C ATOM 316 CE1 HIS A 24 -8.507 0.949 -6.699 1.00 0.00 C ATOM 317 NE2 HIS A 24 -9.639 1.607 -6.524 1.00 0.00 N ATOM 0 H HIS A 24 -9.200 -2.916 -6.461 1.00 0.00 H new ATOM 0 HA HIS A 24 -12.093 -2.292 -6.566 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.114 -1.938 -8.825 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.686 -1.191 -8.623 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.723 1.107 -6.990 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.523 1.301 -6.427 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.728 2.534 -6.108 1.00 0.00 H new ATOM 325 N GLU A 25 -12.564 -4.540 -7.488 1.00 0.00 N ATOM 326 CA GLU A 25 -12.927 -5.810 -8.108 1.00 0.00 C ATOM 327 C GLU A 25 -13.629 -5.582 -9.444 1.00 0.00 C ATOM 328 O GLU A 25 -14.431 -6.404 -9.884 1.00 0.00 O ATOM 329 CB GLU A 25 -13.831 -6.618 -7.176 1.00 0.00 C ATOM 330 CG GLU A 25 -15.141 -5.923 -6.844 1.00 0.00 C ATOM 331 CD GLU A 25 -15.039 -5.043 -5.614 1.00 0.00 C ATOM 332 OE1 GLU A 25 -14.525 -5.522 -4.582 1.00 0.00 O ATOM 333 OE2 GLU A 25 -15.474 -3.874 -5.684 1.00 0.00 O ATOM 0 H GLU A 25 -13.242 -4.192 -6.810 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.011 -6.371 -8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.048 -7.581 -7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.294 -6.823 -6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.452 -5.317 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.916 -6.673 -6.686 1.00 0.00 H new ATOM 340 N ASN A 26 -13.321 -4.458 -10.083 1.00 0.00 N ATOM 341 CA ASN A 26 -13.922 -4.120 -11.368 1.00 0.00 C ATOM 342 C ASN A 26 -12.849 -3.793 -12.402 1.00 0.00 C ATOM 343 O ASN A 26 -12.932 -4.220 -13.553 1.00 0.00 O ATOM 344 CB ASN A 26 -14.875 -2.934 -11.212 1.00 0.00 C ATOM 345 CG ASN A 26 -14.367 -1.911 -10.215 1.00 0.00 C ATOM 346 OD1 ASN A 26 -13.660 -0.971 -10.579 1.00 0.00 O ATOM 347 ND2 ASN A 26 -14.725 -2.090 -8.949 1.00 0.00 N ATOM 0 H ASN A 26 -12.659 -3.766 -9.732 1.00 0.00 H new ATOM 0 HA ASN A 26 -14.484 -4.986 -11.717 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.015 -2.454 -12.181 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.852 -3.296 -10.891 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -14.413 -1.434 -8.233 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.312 -2.883 -8.692 1.00 0.00 H new ATOM 354 N GLU A 27 -11.843 -3.033 -11.982 1.00 0.00 N ATOM 355 CA GLU A 27 -10.754 -2.648 -12.872 1.00 0.00 C ATOM 356 C GLU A 27 -9.729 -3.772 -12.995 1.00 0.00 C ATOM 357 O GLU A 27 -9.249 -4.303 -11.993 1.00 0.00 O ATOM 358 CB GLU A 27 -10.073 -1.376 -12.362 1.00 0.00 C ATOM 359 CG GLU A 27 -10.901 -0.119 -12.569 1.00 0.00 C ATOM 360 CD GLU A 27 -10.865 0.373 -14.003 1.00 0.00 C ATOM 361 OE1 GLU A 27 -10.682 -0.463 -14.912 1.00 0.00 O ATOM 362 OE2 GLU A 27 -11.020 1.594 -14.216 1.00 0.00 O ATOM 0 H GLU A 27 -11.759 -2.672 -11.032 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.176 -2.455 -13.858 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.859 -1.489 -11.299 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.115 -1.258 -12.869 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.934 -0.317 -12.283 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.533 0.667 -11.910 1.00 0.00 H new ATOM 369 N LYS A 28 -9.397 -4.130 -14.231 1.00 0.00 N ATOM 370 CA LYS A 28 -8.429 -5.190 -14.487 1.00 0.00 C ATOM 371 C LYS A 28 -7.003 -4.658 -14.396 1.00 0.00 C ATOM 372 O LYS A 28 -6.528 -3.969 -15.299 1.00 0.00 O ATOM 373 CB LYS A 28 -8.668 -5.804 -15.868 1.00 0.00 C ATOM 374 CG LYS A 28 -9.988 -6.548 -15.983 1.00 0.00 C ATOM 375 CD LYS A 28 -9.945 -7.877 -15.249 1.00 0.00 C ATOM 376 CE LYS A 28 -11.169 -8.725 -15.558 1.00 0.00 C ATOM 377 NZ LYS A 28 -11.186 -9.178 -16.976 1.00 0.00 N ATOM 0 H LYS A 28 -9.784 -3.701 -15.072 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.560 -5.959 -13.726 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.640 -5.013 -16.618 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.853 -6.490 -16.097 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.790 -5.932 -15.576 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.220 -6.719 -17.034 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.044 -8.421 -15.532 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.886 -7.699 -14.175 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.185 -9.593 -14.899 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.071 -8.150 -15.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.854 -9.968 -17.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.483 -8.391 -17.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.233 -9.491 -17.252 1.00 0.00 H new ATOM 391 N VAL A 29 -6.323 -4.983 -13.300 1.00 0.00 N ATOM 392 CA VAL A 29 -4.950 -4.539 -13.093 1.00 0.00 C ATOM 393 C VAL A 29 -4.185 -4.484 -14.411 1.00 0.00 C ATOM 394 O VAL A 29 -3.894 -5.515 -15.015 1.00 0.00 O ATOM 395 CB VAL A 29 -4.202 -5.467 -12.117 1.00 0.00 C ATOM 396 CG1 VAL A 29 -4.519 -5.093 -10.677 1.00 0.00 C ATOM 397 CG2 VAL A 29 -4.555 -6.921 -12.389 1.00 0.00 C ATOM 0 H VAL A 29 -6.701 -5.552 -12.543 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.002 -3.538 -12.665 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.130 -5.342 -12.272 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.982 -5.759 -10.001 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.211 -4.064 -10.492 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.591 -5.188 -10.504 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.018 -7.563 -11.691 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.628 -7.065 -12.262 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.273 -7.179 -13.410 1.00 0.00 H new ATOM 407 N ASN A 30 -3.863 -3.272 -14.850 1.00 0.00 N ATOM 408 CA ASN A 30 -3.131 -3.081 -16.098 1.00 0.00 C ATOM 409 C ASN A 30 -1.776 -2.430 -15.839 1.00 0.00 C ATOM 410 O ASN A 30 -1.072 -2.047 -16.773 1.00 0.00 O ATOM 411 CB ASN A 30 -3.947 -2.221 -17.065 1.00 0.00 C ATOM 412 CG ASN A 30 -4.679 -1.095 -16.361 1.00 0.00 C ATOM 413 OD1 ASN A 30 -5.897 -1.142 -16.192 1.00 0.00 O ATOM 414 ND2 ASN A 30 -3.936 -0.075 -15.948 1.00 0.00 N ATOM 0 H ASN A 30 -4.097 -2.408 -14.361 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.964 -4.060 -16.546 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.284 -1.802 -17.822 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.669 -2.850 -17.586 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.372 0.713 -15.469 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.929 -0.079 -16.110 1.00 0.00 H new ATOM 421 N MET A 31 -1.417 -2.308 -14.565 1.00 0.00 N ATOM 422 CA MET A 31 -0.146 -1.704 -14.184 1.00 0.00 C ATOM 423 C MET A 31 0.517 -2.496 -13.062 1.00 0.00 C ATOM 424 O MET A 31 -0.088 -3.401 -12.486 1.00 0.00 O ATOM 425 CB MET A 31 -0.356 -0.254 -13.745 1.00 0.00 C ATOM 426 CG MET A 31 -0.299 0.743 -14.891 1.00 0.00 C ATOM 427 SD MET A 31 -0.437 2.452 -14.334 1.00 0.00 S ATOM 428 CE MET A 31 -2.216 2.624 -14.208 1.00 0.00 C ATOM 0 H MET A 31 -1.988 -2.619 -13.780 1.00 0.00 H new ATOM 0 HA MET A 31 0.510 -1.720 -15.054 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.323 -0.170 -13.249 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.404 0.008 -13.009 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.639 0.616 -15.431 1.00 0.00 H new ATOM 0 HG3 MET A 31 -1.104 0.528 -15.594 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.460 3.620 -13.839 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.666 2.481 -15.190 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.606 1.876 -13.518 1.00 0.00 H new ATOM 438 N TYR A 32 1.763 -2.151 -12.757 1.00 0.00 N ATOM 439 CA TYR A 32 2.509 -2.833 -11.705 1.00 0.00 C ATOM 440 C TYR A 32 3.420 -1.858 -10.965 1.00 0.00 C ATOM 441 O TYR A 32 4.258 -1.190 -11.571 1.00 0.00 O ATOM 442 CB TYR A 32 3.338 -3.974 -12.296 1.00 0.00 C ATOM 443 CG TYR A 32 4.586 -4.290 -11.503 1.00 0.00 C ATOM 444 CD1 TYR A 32 4.518 -5.030 -10.329 1.00 0.00 C ATOM 445 CD2 TYR A 32 5.833 -3.848 -11.928 1.00 0.00 C ATOM 446 CE1 TYR A 32 5.656 -5.320 -9.601 1.00 0.00 C ATOM 447 CE2 TYR A 32 6.976 -4.134 -11.207 1.00 0.00 C ATOM 448 CZ TYR A 32 6.882 -4.871 -10.044 1.00 0.00 C ATOM 449 OH TYR A 32 8.018 -5.157 -9.322 1.00 0.00 O ATOM 0 H TYR A 32 2.278 -1.404 -13.223 1.00 0.00 H new ATOM 0 HA TYR A 32 1.792 -3.244 -10.994 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.719 -4.869 -12.355 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.622 -3.715 -13.316 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.560 -5.384 -9.980 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.910 -3.271 -12.838 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.586 -5.895 -8.690 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.938 -3.783 -11.551 1.00 0.00 H new ATOM 0 HH TYR A 32 8.798 -4.769 -9.771 1.00 0.00 H new ATOM 459 N CYS A 33 3.250 -1.783 -9.649 1.00 0.00 N ATOM 460 CA CYS A 33 4.055 -0.891 -8.823 1.00 0.00 C ATOM 461 C CYS A 33 5.425 -1.502 -8.540 1.00 0.00 C ATOM 462 O CYS A 33 5.535 -2.687 -8.226 1.00 0.00 O ATOM 463 CB CYS A 33 3.335 -0.593 -7.506 1.00 0.00 C ATOM 464 SG CYS A 33 3.876 0.946 -6.695 1.00 0.00 S ATOM 0 H CYS A 33 2.562 -2.330 -9.132 1.00 0.00 H new ATOM 0 HA CYS A 33 4.198 0.041 -9.370 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.263 -0.534 -7.695 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.492 -1.427 -6.822 1.00 0.00 H new ATOM 469 N VAL A 34 6.466 -0.683 -8.652 1.00 0.00 N ATOM 470 CA VAL A 34 7.828 -1.141 -8.407 1.00 0.00 C ATOM 471 C VAL A 34 8.172 -1.075 -6.923 1.00 0.00 C ATOM 472 O VAL A 34 8.558 -2.076 -6.320 1.00 0.00 O ATOM 473 CB VAL A 34 8.852 -0.304 -9.197 1.00 0.00 C ATOM 474 CG1 VAL A 34 10.259 -0.842 -8.984 1.00 0.00 C ATOM 475 CG2 VAL A 34 8.498 -0.287 -10.676 1.00 0.00 C ATOM 0 H VAL A 34 6.392 0.301 -8.911 1.00 0.00 H new ATOM 0 HA VAL A 34 7.879 -2.177 -8.743 1.00 0.00 H new ATOM 0 HB VAL A 34 8.820 0.721 -8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.969 -0.238 -9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.509 -0.798 -7.924 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.309 -1.876 -9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.232 0.309 -11.219 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.500 -1.306 -11.062 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.508 0.149 -10.808 1.00 0.00 H new ATOM 485 N SER A 35 8.028 0.111 -6.340 1.00 0.00 N ATOM 486 CA SER A 35 8.326 0.309 -4.926 1.00 0.00 C ATOM 487 C SER A 35 7.523 -0.659 -4.061 1.00 0.00 C ATOM 488 O SER A 35 8.061 -1.285 -3.148 1.00 0.00 O ATOM 489 CB SER A 35 8.021 1.750 -4.516 1.00 0.00 C ATOM 490 OG SER A 35 8.682 2.088 -3.309 1.00 0.00 O ATOM 0 H SER A 35 7.707 0.949 -6.825 1.00 0.00 H new ATOM 0 HA SER A 35 9.387 0.112 -4.772 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.333 2.431 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.945 1.876 -4.393 1.00 0.00 H new ATOM 0 HG SER A 35 8.472 3.015 -3.070 1.00 0.00 H new ATOM 496 N ASP A 36 6.233 -0.776 -4.357 1.00 0.00 N ATOM 497 CA ASP A 36 5.355 -1.667 -3.608 1.00 0.00 C ATOM 498 C ASP A 36 5.423 -3.087 -4.161 1.00 0.00 C ATOM 499 O ASP A 36 4.902 -4.025 -3.556 1.00 0.00 O ATOM 500 CB ASP A 36 3.915 -1.156 -3.654 1.00 0.00 C ATOM 501 CG ASP A 36 3.724 0.112 -2.845 1.00 0.00 C ATOM 502 OD1 ASP A 36 4.374 0.244 -1.788 1.00 0.00 O ATOM 503 OD2 ASP A 36 2.923 0.972 -3.270 1.00 0.00 O ATOM 0 H ASP A 36 5.772 -0.265 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 36 5.693 -1.684 -2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.632 -0.969 -4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.246 -1.929 -3.276 1.00 0.00 H new ATOM 508 N ASP A 37 6.065 -3.238 -5.314 1.00 0.00 N ATOM 509 CA ASP A 37 6.201 -4.543 -5.949 1.00 0.00 C ATOM 510 C ASP A 37 4.883 -5.310 -5.901 1.00 0.00 C ATOM 511 O ASP A 37 4.833 -6.447 -5.432 1.00 0.00 O ATOM 512 CB ASP A 37 7.303 -5.355 -5.266 1.00 0.00 C ATOM 513 CG ASP A 37 7.848 -6.455 -6.156 1.00 0.00 C ATOM 514 OD1 ASP A 37 7.152 -7.477 -6.329 1.00 0.00 O ATOM 515 OD2 ASP A 37 8.970 -6.294 -6.679 1.00 0.00 O ATOM 0 H ASP A 37 6.500 -2.472 -5.828 1.00 0.00 H new ATOM 0 HA ASP A 37 6.472 -4.385 -6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.116 -4.688 -4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.911 -5.795 -4.349 1.00 0.00 H new ATOM 520 N GLN A 38 3.819 -4.680 -6.387 1.00 0.00 N ATOM 521 CA GLN A 38 2.501 -5.303 -6.398 1.00 0.00 C ATOM 522 C GLN A 38 1.666 -4.791 -7.567 1.00 0.00 C ATOM 523 O GLN A 38 1.620 -3.589 -7.832 1.00 0.00 O ATOM 524 CB GLN A 38 1.774 -5.031 -5.079 1.00 0.00 C ATOM 525 CG GLN A 38 0.799 -6.128 -4.684 1.00 0.00 C ATOM 526 CD GLN A 38 1.497 -7.373 -4.174 1.00 0.00 C ATOM 527 OE1 GLN A 38 2.352 -7.942 -4.854 1.00 0.00 O ATOM 528 NE2 GLN A 38 1.137 -7.803 -2.970 1.00 0.00 N ATOM 0 H GLN A 38 3.844 -3.738 -6.778 1.00 0.00 H new ATOM 0 HA GLN A 38 2.636 -6.378 -6.516 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.512 -4.909 -4.286 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.234 -4.088 -5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.127 -5.751 -3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.183 -6.388 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.424 -7.301 -2.441 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.574 -8.636 -2.574 1.00 0.00 H new ATOM 537 N LEU A 39 1.007 -5.710 -8.264 1.00 0.00 N ATOM 538 CA LEU A 39 0.173 -5.352 -9.406 1.00 0.00 C ATOM 539 C LEU A 39 -0.948 -4.407 -8.986 1.00 0.00 C ATOM 540 O LEU A 39 -1.644 -4.652 -8.000 1.00 0.00 O ATOM 541 CB LEU A 39 -0.418 -6.610 -10.045 1.00 0.00 C ATOM 542 CG LEU A 39 0.581 -7.705 -10.421 1.00 0.00 C ATOM 543 CD1 LEU A 39 -0.129 -9.037 -10.603 1.00 0.00 C ATOM 544 CD2 LEU A 39 1.338 -7.325 -11.686 1.00 0.00 C ATOM 0 H LEU A 39 1.034 -6.709 -8.058 1.00 0.00 H new ATOM 0 HA LEU A 39 0.800 -4.841 -10.137 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.149 -7.034 -9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.960 -6.316 -10.944 1.00 0.00 H new ATOM 0 HG LEU A 39 1.300 -7.808 -9.608 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.598 -9.804 -10.870 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.624 -9.315 -9.673 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.871 -8.948 -11.397 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.044 -8.116 -11.939 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.633 -7.193 -12.506 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.880 -6.394 -11.520 1.00 0.00 H new ATOM 556 N ILE A 40 -1.119 -3.328 -9.742 1.00 0.00 N ATOM 557 CA ILE A 40 -2.157 -2.347 -9.451 1.00 0.00 C ATOM 558 C ILE A 40 -2.926 -1.969 -10.712 1.00 0.00 C ATOM 559 O ILE A 40 -2.502 -2.277 -11.826 1.00 0.00 O ATOM 560 CB ILE A 40 -1.567 -1.072 -8.820 1.00 0.00 C ATOM 561 CG1 ILE A 40 -0.583 -0.409 -9.786 1.00 0.00 C ATOM 562 CG2 ILE A 40 -0.884 -1.400 -7.501 1.00 0.00 C ATOM 563 CD1 ILE A 40 -0.455 1.085 -9.587 1.00 0.00 C ATOM 0 H ILE A 40 -0.552 -3.111 -10.561 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.839 -2.812 -8.739 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.379 -0.373 -8.621 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.398 -0.869 -9.665 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.903 -0.605 -10.809 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.472 -0.488 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.610 -1.833 -6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.079 -2.114 -7.676 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.259 1.488 -10.306 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.426 1.557 -9.737 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.105 1.289 -8.575 1.00 0.00 H new ATOM 575 N CYS A 41 -4.058 -1.297 -10.530 1.00 0.00 N ATOM 576 CA CYS A 41 -4.886 -0.874 -11.652 1.00 0.00 C ATOM 577 C CYS A 41 -4.783 0.633 -11.866 1.00 0.00 C ATOM 578 O CYS A 41 -4.005 1.314 -11.198 1.00 0.00 O ATOM 579 CB CYS A 41 -6.345 -1.268 -11.413 1.00 0.00 C ATOM 580 SG CYS A 41 -7.204 -0.229 -10.188 1.00 0.00 S ATOM 0 H CYS A 41 -4.423 -1.034 -9.615 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.523 -1.376 -12.549 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.884 -1.216 -12.359 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.380 -2.306 -11.082 1.00 0.00 H new ATOM 585 N ALA A 42 -5.573 1.148 -12.803 1.00 0.00 N ATOM 586 CA ALA A 42 -5.573 2.574 -13.104 1.00 0.00 C ATOM 587 C ALA A 42 -6.065 3.387 -11.911 1.00 0.00 C ATOM 588 O ALA A 42 -5.446 4.379 -11.526 1.00 0.00 O ATOM 589 CB ALA A 42 -6.433 2.855 -14.327 1.00 0.00 C ATOM 0 H ALA A 42 -6.221 0.598 -13.367 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.547 2.875 -13.317 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.424 3.924 -14.540 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.036 2.311 -15.184 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.456 2.532 -14.134 1.00 0.00 H new ATOM 595 N LEU A 43 -7.181 2.961 -11.330 1.00 0.00 N ATOM 596 CA LEU A 43 -7.757 3.650 -10.181 1.00 0.00 C ATOM 597 C LEU A 43 -6.774 3.678 -9.015 1.00 0.00 C ATOM 598 O LEU A 43 -6.821 4.574 -8.171 1.00 0.00 O ATOM 599 CB LEU A 43 -9.056 2.967 -9.750 1.00 0.00 C ATOM 600 CG LEU A 43 -10.312 3.363 -10.528 1.00 0.00 C ATOM 601 CD1 LEU A 43 -11.442 2.383 -10.253 1.00 0.00 C ATOM 602 CD2 LEU A 43 -10.735 4.781 -10.172 1.00 0.00 C ATOM 0 H LEU A 43 -7.705 2.141 -11.636 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.974 4.677 -10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.923 1.889 -9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.223 3.182 -8.695 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.082 3.330 -11.593 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.327 2.681 -10.815 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.138 1.382 -10.559 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.672 2.383 -9.188 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.630 5.046 -10.735 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.947 4.840 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.931 5.474 -10.421 1.00 0.00 H new ATOM 614 N CYS A 44 -5.882 2.694 -8.975 1.00 0.00 N ATOM 615 CA CYS A 44 -4.886 2.606 -7.914 1.00 0.00 C ATOM 616 C CYS A 44 -3.818 3.683 -8.081 1.00 0.00 C ATOM 617 O CYS A 44 -3.295 4.211 -7.099 1.00 0.00 O ATOM 618 CB CYS A 44 -4.234 1.222 -7.912 1.00 0.00 C ATOM 619 SG CYS A 44 -5.098 -0.005 -6.880 1.00 0.00 S ATOM 0 H CYS A 44 -5.829 1.946 -9.666 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.391 2.764 -6.961 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.189 0.852 -8.936 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.206 1.317 -7.561 1.00 0.00 H new ATOM 624 N LYS A 45 -3.500 4.005 -9.330 1.00 0.00 N ATOM 625 CA LYS A 45 -2.496 5.020 -9.627 1.00 0.00 C ATOM 626 C LYS A 45 -3.135 6.400 -9.739 1.00 0.00 C ATOM 627 O LYS A 45 -2.488 7.417 -9.485 1.00 0.00 O ATOM 628 CB LYS A 45 -1.764 4.678 -10.927 1.00 0.00 C ATOM 629 CG LYS A 45 -0.892 5.806 -11.449 1.00 0.00 C ATOM 630 CD LYS A 45 0.427 5.885 -10.697 1.00 0.00 C ATOM 631 CE LYS A 45 1.491 6.604 -11.512 1.00 0.00 C ATOM 632 NZ LYS A 45 1.487 8.072 -11.258 1.00 0.00 N ATOM 0 H LYS A 45 -3.923 3.577 -10.154 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.778 5.037 -8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.144 3.797 -10.764 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.498 4.415 -11.689 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.698 5.656 -12.511 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.424 6.753 -11.353 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.277 6.406 -9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.770 4.879 -10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.472 6.196 -11.269 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.323 6.419 -12.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.226 8.526 -11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.559 8.466 -11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.673 8.250 -10.250 1.00 0.00 H new ATOM 646 N LEU A 46 -4.407 6.429 -10.120 1.00 0.00 N ATOM 647 CA LEU A 46 -5.134 7.686 -10.264 1.00 0.00 C ATOM 648 C LEU A 46 -5.340 8.355 -8.909 1.00 0.00 C ATOM 649 O LEU A 46 -4.799 9.430 -8.647 1.00 0.00 O ATOM 650 CB LEU A 46 -6.487 7.441 -10.935 1.00 0.00 C ATOM 651 CG LEU A 46 -6.505 7.525 -12.461 1.00 0.00 C ATOM 652 CD1 LEU A 46 -5.456 6.601 -13.059 1.00 0.00 C ATOM 653 CD2 LEU A 46 -7.887 7.185 -12.999 1.00 0.00 C ATOM 0 H LEU A 46 -4.957 5.597 -10.335 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.539 8.351 -10.890 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.842 6.453 -10.641 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.201 8.166 -10.543 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.266 8.548 -12.751 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.484 6.674 -14.146 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.468 6.892 -12.701 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.663 5.574 -12.759 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.880 7.250 -14.087 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.156 6.172 -12.698 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.617 7.888 -12.598 1.00 0.00 H new ATOM 665 N VAL A 47 -6.122 7.711 -8.049 1.00 0.00 N ATOM 666 CA VAL A 47 -6.396 8.241 -6.719 1.00 0.00 C ATOM 667 C VAL A 47 -5.891 7.296 -5.635 1.00 0.00 C ATOM 668 O VAL A 47 -5.660 7.705 -4.498 1.00 0.00 O ATOM 669 CB VAL A 47 -7.903 8.484 -6.511 1.00 0.00 C ATOM 670 CG1 VAL A 47 -8.390 9.614 -7.405 1.00 0.00 C ATOM 671 CG2 VAL A 47 -8.689 7.208 -6.774 1.00 0.00 C ATOM 0 H VAL A 47 -6.577 6.821 -8.250 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.868 9.191 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.067 8.777 -5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.457 9.771 -7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.848 10.528 -7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.215 9.353 -8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.752 7.397 -6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.521 6.882 -7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.358 6.429 -6.088 1.00 0.00 H new ATOM 681 N GLY A 48 -5.720 6.027 -5.996 1.00 0.00 N ATOM 682 CA GLY A 48 -5.242 5.043 -5.043 1.00 0.00 C ATOM 683 C GLY A 48 -4.038 5.529 -4.262 1.00 0.00 C ATOM 684 O GLY A 48 -3.504 6.603 -4.537 1.00 0.00 O ATOM 0 H GLY A 48 -5.904 5.664 -6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.045 4.794 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.982 4.126 -5.572 1.00 0.00 H new ATOM 688 N ARG A 49 -3.611 4.737 -3.283 1.00 0.00 N ATOM 689 CA ARG A 49 -2.464 5.095 -2.457 1.00 0.00 C ATOM 690 C ARG A 49 -1.226 5.330 -3.318 1.00 0.00 C ATOM 691 O ARG A 49 -0.237 5.903 -2.859 1.00 0.00 O ATOM 692 CB ARG A 49 -2.183 3.994 -1.432 1.00 0.00 C ATOM 693 CG ARG A 49 -2.986 4.138 -0.150 1.00 0.00 C ATOM 694 CD ARG A 49 -2.553 3.122 0.895 1.00 0.00 C ATOM 695 NE ARG A 49 -2.763 1.749 0.444 1.00 0.00 N ATOM 696 CZ ARG A 49 -2.229 0.689 1.041 1.00 0.00 C ATOM 697 NH1 ARG A 49 -1.458 0.844 2.108 1.00 0.00 N ATOM 698 NH2 ARG A 49 -2.467 -0.529 0.570 1.00 0.00 N ATOM 0 H ARG A 49 -4.042 3.844 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.701 6.020 -1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.403 3.026 -1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.121 3.999 -1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.862 5.145 0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.046 4.009 -0.367 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.499 3.269 1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.110 3.290 1.817 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.352 1.595 -0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.274 1.779 2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.049 0.029 2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.060 -0.652 -0.251 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.057 -1.342 1.029 1.00 0.00 H new ATOM 712 N HIS A 50 -1.288 4.883 -4.569 1.00 0.00 N ATOM 713 CA HIS A 50 -0.172 5.045 -5.494 1.00 0.00 C ATOM 714 C HIS A 50 -0.336 6.313 -6.326 1.00 0.00 C ATOM 715 O HIS A 50 -0.118 6.305 -7.538 1.00 0.00 O ATOM 716 CB HIS A 50 -0.064 3.828 -6.414 1.00 0.00 C ATOM 717 CG HIS A 50 -0.350 2.529 -5.725 1.00 0.00 C ATOM 718 ND1 HIS A 50 0.638 1.716 -5.212 1.00 0.00 N ATOM 719 CD2 HIS A 50 -1.523 1.905 -5.464 1.00 0.00 C ATOM 720 CE1 HIS A 50 0.086 0.647 -4.667 1.00 0.00 C ATOM 721 NE2 HIS A 50 -1.225 0.737 -4.806 1.00 0.00 N ATOM 0 H HIS A 50 -2.098 4.406 -4.965 1.00 0.00 H new ATOM 0 HA HIS A 50 0.743 5.131 -4.909 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.758 3.949 -7.246 1.00 0.00 H new ATOM 0 HB3 HIS A 50 0.939 3.792 -6.838 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.509 2.260 -5.725 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.616 -0.163 -4.189 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -1.905 0.051 -4.478 1.00 0.00 H new ATOM 729 N ARG A 51 -0.721 7.401 -5.668 1.00 0.00 N ATOM 730 CA ARG A 51 -0.916 8.677 -6.347 1.00 0.00 C ATOM 731 C ARG A 51 0.367 9.124 -7.041 1.00 0.00 C ATOM 732 O ARG A 51 0.366 9.426 -8.235 1.00 0.00 O ATOM 733 CB ARG A 51 -1.369 9.745 -5.351 1.00 0.00 C ATOM 734 CG ARG A 51 -2.844 9.658 -4.992 1.00 0.00 C ATOM 735 CD ARG A 51 -3.284 10.846 -4.152 1.00 0.00 C ATOM 736 NE ARG A 51 -2.511 10.962 -2.919 1.00 0.00 N ATOM 737 CZ ARG A 51 -2.784 11.839 -1.960 1.00 0.00 C ATOM 738 NH1 ARG A 51 -3.807 12.673 -2.091 1.00 0.00 N ATOM 739 NH2 ARG A 51 -2.034 11.883 -0.866 1.00 0.00 N ATOM 0 H ARG A 51 -0.904 7.425 -4.665 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.690 8.544 -7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.776 9.655 -4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.163 10.730 -5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.440 9.615 -5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.032 8.734 -4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.177 11.761 -4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.342 10.746 -3.908 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.718 10.335 -2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.386 12.642 -2.930 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.014 13.346 -1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.247 11.243 -0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.245 12.557 -0.130 1.00 0.00 H new ATOM 753 N ASP A 52 1.459 9.166 -6.286 1.00 0.00 N ATOM 754 CA ASP A 52 2.749 9.576 -6.828 1.00 0.00 C ATOM 755 C ASP A 52 3.774 8.454 -6.699 1.00 0.00 C ATOM 756 O ASP A 52 4.865 8.654 -6.163 1.00 0.00 O ATOM 757 CB ASP A 52 3.253 10.829 -6.110 1.00 0.00 C ATOM 758 CG ASP A 52 2.627 12.098 -6.654 1.00 0.00 C ATOM 759 OD1 ASP A 52 2.699 12.316 -7.881 1.00 0.00 O ATOM 760 OD2 ASP A 52 2.066 12.875 -5.852 1.00 0.00 O ATOM 0 H ASP A 52 1.477 8.921 -5.296 1.00 0.00 H new ATOM 0 HA ASP A 52 2.615 9.802 -7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.035 10.747 -5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.337 10.890 -6.209 1.00 0.00 H new ATOM 765 N HIS A 53 3.417 7.272 -7.192 1.00 0.00 N ATOM 766 CA HIS A 53 4.306 6.118 -7.131 1.00 0.00 C ATOM 767 C HIS A 53 4.970 5.872 -8.482 1.00 0.00 C ATOM 768 O HIS A 53 4.623 6.505 -9.479 1.00 0.00 O ATOM 769 CB HIS A 53 3.531 4.873 -6.696 1.00 0.00 C ATOM 770 CG HIS A 53 3.220 4.843 -5.232 1.00 0.00 C ATOM 771 ND1 HIS A 53 3.046 3.672 -4.523 1.00 0.00 N ATOM 772 CD2 HIS A 53 3.053 5.848 -4.341 1.00 0.00 C ATOM 773 CE1 HIS A 53 2.784 3.959 -3.261 1.00 0.00 C ATOM 774 NE2 HIS A 53 2.783 5.273 -3.123 1.00 0.00 N ATOM 0 H HIS A 53 2.518 7.089 -7.638 1.00 0.00 H new ATOM 0 HA HIS A 53 5.084 6.328 -6.397 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.599 4.820 -7.258 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.110 3.986 -6.954 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.120 6.906 -4.549 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.601 3.241 -2.475 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.610 5.778 -2.254 1.00 0.00 H new ATOM 782 N GLN A 54 5.927 4.949 -8.507 1.00 0.00 N ATOM 783 CA GLN A 54 6.640 4.622 -9.736 1.00 0.00 C ATOM 784 C GLN A 54 6.166 3.286 -10.301 1.00 0.00 C ATOM 785 O GLN A 54 6.621 2.224 -9.876 1.00 0.00 O ATOM 786 CB GLN A 54 8.147 4.575 -9.479 1.00 0.00 C ATOM 787 CG GLN A 54 8.963 4.210 -10.709 1.00 0.00 C ATOM 788 CD GLN A 54 10.369 3.761 -10.364 1.00 0.00 C ATOM 789 OE1 GLN A 54 10.564 2.892 -9.513 1.00 0.00 O ATOM 790 NE2 GLN A 54 11.358 4.351 -11.025 1.00 0.00 N ATOM 0 H GLN A 54 6.226 4.415 -7.691 1.00 0.00 H new ATOM 0 HA GLN A 54 6.428 5.401 -10.468 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.475 5.547 -9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.350 3.851 -8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.455 3.415 -11.254 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.014 5.071 -11.375 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.150 5.066 -11.722 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.325 4.089 -10.836 1.00 0.00 H new ATOM 799 N VAL A 55 5.249 3.347 -11.261 1.00 0.00 N ATOM 800 CA VAL A 55 4.714 2.143 -11.885 1.00 0.00 C ATOM 801 C VAL A 55 5.268 1.961 -13.293 1.00 0.00 C ATOM 802 O VAL A 55 5.629 2.931 -13.959 1.00 0.00 O ATOM 803 CB VAL A 55 3.176 2.181 -11.951 1.00 0.00 C ATOM 804 CG1 VAL A 55 2.587 2.405 -10.566 1.00 0.00 C ATOM 805 CG2 VAL A 55 2.711 3.260 -12.917 1.00 0.00 C ATOM 0 H VAL A 55 4.861 4.218 -11.624 1.00 0.00 H new ATOM 0 HA VAL A 55 5.023 1.301 -11.265 1.00 0.00 H new ATOM 0 HB VAL A 55 2.822 1.218 -12.319 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.499 2.429 -10.633 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.892 1.594 -9.905 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.947 3.353 -10.167 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.622 3.273 -12.951 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.075 4.231 -12.581 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.103 3.051 -13.912 1.00 0.00 H new ATOM 815 N ALA A 56 5.331 0.712 -13.742 1.00 0.00 N ATOM 816 CA ALA A 56 5.838 0.403 -15.073 1.00 0.00 C ATOM 817 C ALA A 56 4.716 -0.066 -15.993 1.00 0.00 C ATOM 818 O ALA A 56 4.391 -1.252 -16.036 1.00 0.00 O ATOM 819 CB ALA A 56 6.931 -0.653 -14.989 1.00 0.00 C ATOM 0 H ALA A 56 5.037 -0.103 -13.203 1.00 0.00 H new ATOM 0 HA ALA A 56 6.260 1.315 -15.495 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.301 -0.874 -15.990 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.750 -0.281 -14.374 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.526 -1.561 -14.543 1.00 0.00 H new ATOM 825 N SER A 57 4.127 0.873 -16.727 1.00 0.00 N ATOM 826 CA SER A 57 3.038 0.556 -17.643 1.00 0.00 C ATOM 827 C SER A 57 3.299 -0.765 -18.361 1.00 0.00 C ATOM 828 O SER A 57 4.446 -1.117 -18.640 1.00 0.00 O ATOM 829 CB SER A 57 2.861 1.679 -18.666 1.00 0.00 C ATOM 830 OG SER A 57 4.018 1.824 -19.470 1.00 0.00 O ATOM 0 H SER A 57 4.386 1.859 -16.705 1.00 0.00 H new ATOM 0 HA SER A 57 2.122 0.458 -17.060 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.999 1.466 -19.299 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.654 2.616 -18.149 1.00 0.00 H new ATOM 0 HG SER A 57 3.878 2.547 -20.117 1.00 0.00 H new ATOM 836 N LEU A 58 2.227 -1.491 -18.658 1.00 0.00 N ATOM 837 CA LEU A 58 2.338 -2.774 -19.344 1.00 0.00 C ATOM 838 C LEU A 58 2.053 -2.621 -20.834 1.00 0.00 C ATOM 839 O LEU A 58 2.914 -2.885 -21.671 1.00 0.00 O ATOM 840 CB LEU A 58 1.372 -3.788 -18.729 1.00 0.00 C ATOM 841 CG LEU A 58 1.399 -3.903 -17.205 1.00 0.00 C ATOM 842 CD1 LEU A 58 0.209 -4.710 -16.709 1.00 0.00 C ATOM 843 CD2 LEU A 58 2.704 -4.534 -16.741 1.00 0.00 C ATOM 0 H LEU A 58 1.271 -1.213 -18.435 1.00 0.00 H new ATOM 0 HA LEU A 58 3.359 -3.136 -19.224 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.359 -3.527 -19.036 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.590 -4.769 -19.151 1.00 0.00 H new ATOM 0 HG LEU A 58 1.333 -2.900 -16.783 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.245 -4.781 -15.622 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.716 -4.217 -17.010 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.243 -5.711 -17.139 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.706 -4.608 -15.654 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.800 -5.530 -17.173 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.542 -3.916 -17.064 1.00 0.00 H new ATOM 855 N ASN A 59 0.838 -2.190 -21.157 1.00 0.00 N ATOM 856 CA ASN A 59 0.439 -2.000 -22.547 1.00 0.00 C ATOM 857 C ASN A 59 1.329 -0.967 -23.232 1.00 0.00 C ATOM 858 O ASN A 59 1.215 0.232 -22.976 1.00 0.00 O ATOM 859 CB ASN A 59 -1.025 -1.560 -22.624 1.00 0.00 C ATOM 860 CG ASN A 59 -1.405 -0.616 -21.500 1.00 0.00 C ATOM 861 OD1 ASN A 59 -1.476 -1.015 -20.337 1.00 0.00 O ATOM 862 ND2 ASN A 59 -1.651 0.643 -21.842 1.00 0.00 N ATOM 0 H ASN A 59 0.113 -1.966 -20.476 1.00 0.00 H new ATOM 0 HA ASN A 59 0.553 -2.952 -23.065 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.205 -1.071 -23.582 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.668 -2.439 -22.589 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.911 1.324 -21.128 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.580 0.929 -22.818 1.00 0.00 H new ATOM 869 N ASP A 60 2.213 -1.440 -24.103 1.00 0.00 N ATOM 870 CA ASP A 60 3.121 -0.558 -24.826 1.00 0.00 C ATOM 871 C ASP A 60 2.356 0.579 -25.496 1.00 0.00 C ATOM 872 O ASP A 60 2.573 1.752 -25.190 1.00 0.00 O ATOM 873 CB ASP A 60 3.907 -1.347 -25.875 1.00 0.00 C ATOM 874 CG ASP A 60 4.576 -2.576 -25.292 1.00 0.00 C ATOM 875 OD1 ASP A 60 5.412 -2.419 -24.377 1.00 0.00 O ATOM 876 OD2 ASP A 60 4.264 -3.695 -25.749 1.00 0.00 O ATOM 0 H ASP A 60 2.320 -2.430 -24.326 1.00 0.00 H new ATOM 0 HA ASP A 60 3.819 -0.129 -24.107 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.234 -1.649 -26.678 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.664 -0.701 -26.320 1.00 0.00 H new ATOM 881 N ARG A 61 1.461 0.225 -26.412 1.00 0.00 N ATOM 882 CA ARG A 61 0.665 1.215 -27.127 1.00 0.00 C ATOM 883 C ARG A 61 -0.424 1.790 -26.226 1.00 0.00 C ATOM 884 O ARG A 61 -1.402 1.114 -25.906 1.00 0.00 O ATOM 885 CB ARG A 61 0.034 0.591 -28.373 1.00 0.00 C ATOM 886 CG ARG A 61 -0.774 1.574 -29.203 1.00 0.00 C ATOM 887 CD ARG A 61 -1.067 1.023 -30.590 1.00 0.00 C ATOM 888 NE ARG A 61 -2.177 1.721 -31.233 1.00 0.00 N ATOM 889 CZ ARG A 61 -2.072 2.932 -31.768 1.00 0.00 C ATOM 890 NH1 ARG A 61 -0.914 3.577 -31.737 1.00 0.00 N ATOM 891 NH2 ARG A 61 -3.128 3.502 -32.336 1.00 0.00 N ATOM 0 H ARG A 61 1.269 -0.741 -26.677 1.00 0.00 H new ATOM 0 HA ARG A 61 1.327 2.026 -27.431 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.822 0.165 -28.994 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.612 -0.232 -28.069 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.711 1.798 -28.694 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.227 2.513 -29.291 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.175 1.111 -31.211 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.301 -0.039 -30.516 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.082 1.253 -31.273 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.100 3.143 -31.301 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.837 4.507 -32.149 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.021 3.010 -32.362 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.046 4.432 -32.747 1.00 0.00 H new ATOM 905 N PHE A 62 -0.248 3.043 -25.819 1.00 0.00 N ATOM 906 CA PHE A 62 -1.214 3.709 -24.954 1.00 0.00 C ATOM 907 C PHE A 62 -2.637 3.501 -25.466 1.00 0.00 C ATOM 908 O PHE A 62 -2.961 3.867 -26.595 1.00 0.00 O ATOM 909 CB PHE A 62 -0.906 5.205 -24.866 1.00 0.00 C ATOM 910 CG PHE A 62 0.316 5.519 -24.053 1.00 0.00 C ATOM 911 CD1 PHE A 62 0.347 5.253 -22.693 1.00 0.00 C ATOM 912 CD2 PHE A 62 1.435 6.080 -24.647 1.00 0.00 C ATOM 913 CE1 PHE A 62 1.471 5.540 -21.941 1.00 0.00 C ATOM 914 CE2 PHE A 62 2.562 6.369 -23.900 1.00 0.00 C ATOM 915 CZ PHE A 62 2.579 6.100 -22.546 1.00 0.00 C ATOM 0 H PHE A 62 0.555 3.617 -26.075 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.136 3.270 -23.959 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.774 5.600 -25.873 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.763 5.719 -24.432 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.517 4.816 -22.215 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.427 6.294 -25.706 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.483 5.327 -20.882 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.428 6.805 -24.375 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.458 6.327 -21.961 1.00 0.00 H new ATOM 925 N GLU A 63 -3.480 2.908 -24.626 1.00 0.00 N ATOM 926 CA GLU A 63 -4.868 2.650 -24.994 1.00 0.00 C ATOM 927 C GLU A 63 -5.769 3.804 -24.566 1.00 0.00 C ATOM 928 O GLU A 63 -6.434 4.428 -25.393 1.00 0.00 O ATOM 929 CB GLU A 63 -5.353 1.346 -24.356 1.00 0.00 C ATOM 930 CG GLU A 63 -6.659 0.833 -24.938 1.00 0.00 C ATOM 931 CD GLU A 63 -6.469 0.125 -26.265 1.00 0.00 C ATOM 932 OE1 GLU A 63 -5.550 0.512 -27.017 1.00 0.00 O ATOM 933 OE2 GLU A 63 -7.238 -0.816 -26.552 1.00 0.00 O ATOM 0 H GLU A 63 -3.227 2.598 -23.688 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.918 2.557 -26.079 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.585 0.583 -24.480 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.478 1.500 -23.284 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.124 0.148 -24.229 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.346 1.669 -25.072 1.00 0.00 H new ATOM 940 N LYS A 64 -5.786 4.083 -23.267 1.00 0.00 N ATOM 941 CA LYS A 64 -6.603 5.162 -22.726 1.00 0.00 C ATOM 942 C LYS A 64 -5.899 6.507 -22.876 1.00 0.00 C ATOM 943 O LYS A 64 -5.198 6.957 -21.969 1.00 0.00 O ATOM 944 CB LYS A 64 -6.918 4.902 -21.251 1.00 0.00 C ATOM 945 CG LYS A 64 -8.022 3.881 -21.035 1.00 0.00 C ATOM 946 CD LYS A 64 -7.982 3.305 -19.630 1.00 0.00 C ATOM 947 CE LYS A 64 -9.322 2.703 -19.236 1.00 0.00 C ATOM 948 NZ LYS A 64 -10.326 3.753 -18.907 1.00 0.00 N ATOM 0 H LYS A 64 -5.242 3.576 -22.569 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.535 5.195 -23.290 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.013 4.558 -20.750 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.206 5.841 -20.779 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.991 4.349 -21.210 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.921 3.075 -21.762 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.207 2.541 -19.571 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.712 4.088 -18.922 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.697 2.085 -20.052 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.187 2.047 -18.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.159 3.311 -18.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.908 4.438 -18.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.613 4.244 -19.778 1.00 0.00 H new ATOM 962 N LEU A 65 -6.090 7.144 -24.026 1.00 0.00 N ATOM 963 CA LEU A 65 -5.474 8.439 -24.295 1.00 0.00 C ATOM 964 C LEU A 65 -6.265 9.565 -23.638 1.00 0.00 C ATOM 965 O LEU A 65 -5.853 10.115 -22.616 1.00 0.00 O ATOM 966 CB LEU A 65 -5.381 8.678 -25.803 1.00 0.00 C ATOM 967 CG LEU A 65 -4.071 8.256 -26.470 1.00 0.00 C ATOM 968 CD1 LEU A 65 -2.959 9.237 -26.131 1.00 0.00 C ATOM 969 CD2 LEU A 65 -3.687 6.846 -26.047 1.00 0.00 C ATOM 0 H LEU A 65 -6.666 6.785 -24.787 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.469 8.431 -23.872 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.200 8.145 -26.286 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.536 9.740 -25.993 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.217 8.263 -27.550 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.035 8.920 -26.614 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.231 10.232 -26.484 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.813 9.263 -25.051 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.753 6.563 -26.531 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.560 6.813 -24.965 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.473 6.151 -26.341 1.00 0.00 H new ATOM 981 N LYS A 66 -7.406 9.903 -24.230 1.00 0.00 N ATOM 982 CA LYS A 66 -8.258 10.962 -23.701 1.00 0.00 C ATOM 983 C LYS A 66 -8.783 10.597 -22.316 1.00 0.00 C ATOM 984 O LYS A 66 -8.875 9.420 -21.968 1.00 0.00 O ATOM 985 CB LYS A 66 -9.430 11.223 -24.650 1.00 0.00 C ATOM 986 CG LYS A 66 -9.009 11.794 -25.993 1.00 0.00 C ATOM 987 CD LYS A 66 -10.136 12.582 -26.642 1.00 0.00 C ATOM 988 CE LYS A 66 -11.062 11.676 -27.438 1.00 0.00 C ATOM 989 NZ LYS A 66 -10.540 11.416 -28.808 1.00 0.00 N ATOM 0 H LYS A 66 -7.762 9.459 -25.076 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.658 11.868 -23.616 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.969 10.290 -24.814 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.126 11.913 -24.173 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.142 12.441 -25.859 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.703 10.983 -26.654 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.707 13.103 -25.873 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.717 13.344 -27.299 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.186 10.730 -26.911 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.049 12.135 -27.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.199 10.795 -29.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.446 12.316 -29.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.610 10.955 -28.743 1.00 0.00 H new ATOM 1003 N GLN A 67 -9.128 11.613 -21.532 1.00 0.00 N ATOM 1004 CA GLN A 67 -9.645 11.398 -20.186 1.00 0.00 C ATOM 1005 C GLN A 67 -10.643 12.487 -19.805 1.00 0.00 C ATOM 1006 O GLN A 67 -10.340 13.678 -19.886 1.00 0.00 O ATOM 1007 CB GLN A 67 -8.497 11.365 -19.176 1.00 0.00 C ATOM 1008 CG GLN A 67 -7.564 10.178 -19.353 1.00 0.00 C ATOM 1009 CD GLN A 67 -6.534 10.075 -18.245 1.00 0.00 C ATOM 1010 OE1 GLN A 67 -6.018 11.085 -17.766 1.00 0.00 O ATOM 1011 NE2 GLN A 67 -6.230 8.850 -17.832 1.00 0.00 N ATOM 0 H GLN A 67 -9.059 12.593 -21.806 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.161 10.438 -20.171 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.920 12.286 -19.264 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.912 11.343 -18.168 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.152 9.260 -19.384 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.053 10.262 -20.312 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.683 8.041 -18.258 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.544 8.718 -17.089 1.00 0.00 H new ATOM 1020 N THR A 68 -11.835 12.071 -19.390 1.00 0.00 N ATOM 1021 CA THR A 68 -12.879 13.010 -18.998 1.00 0.00 C ATOM 1022 C THR A 68 -13.576 12.556 -17.721 1.00 0.00 C ATOM 1023 O THR A 68 -13.265 11.497 -17.174 1.00 0.00 O ATOM 1024 CB THR A 68 -13.930 13.179 -20.111 1.00 0.00 C ATOM 1025 OG1 THR A 68 -14.568 11.925 -20.377 1.00 0.00 O ATOM 1026 CG2 THR A 68 -13.289 13.707 -21.386 1.00 0.00 C ATOM 0 H THR A 68 -12.102 11.089 -19.317 1.00 0.00 H new ATOM 0 HA THR A 68 -12.391 13.969 -18.821 1.00 0.00 H new ATOM 0 HB THR A 68 -14.673 13.900 -19.771 1.00 0.00 H new ATOM 0 HG1 THR A 68 -15.236 12.041 -21.085 1.00 0.00 H new ATOM 0 HG21 THR A 68 -14.051 13.818 -22.157 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.829 14.675 -21.188 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.527 13.006 -21.727 1.00 0.00 H new ATOM 1034 N LEU A 69 -14.520 13.362 -17.250 1.00 0.00 N ATOM 1035 CA LEU A 69 -15.264 13.043 -16.036 1.00 0.00 C ATOM 1036 C LEU A 69 -16.615 12.420 -16.372 1.00 0.00 C ATOM 1037 O LEU A 69 -17.354 12.935 -17.210 1.00 0.00 O ATOM 1038 CB LEU A 69 -15.466 14.302 -15.191 1.00 0.00 C ATOM 1039 CG LEU A 69 -14.199 15.080 -14.833 1.00 0.00 C ATOM 1040 CD1 LEU A 69 -13.816 16.025 -15.962 1.00 0.00 C ATOM 1041 CD2 LEU A 69 -14.395 15.850 -13.535 1.00 0.00 C ATOM 0 H LEU A 69 -14.789 14.242 -17.690 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.683 12.319 -15.464 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.140 14.971 -15.727 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.968 14.018 -14.266 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.386 14.368 -14.691 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.912 16.570 -15.689 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.634 15.451 -16.871 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.627 16.732 -16.136 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.483 16.398 -13.296 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.221 16.552 -13.650 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.621 15.152 -12.729 1.00 0.00 H new ATOM 1053 N GLU A 70 -16.931 11.311 -15.711 1.00 0.00 N ATOM 1054 CA GLU A 70 -18.194 10.620 -15.940 1.00 0.00 C ATOM 1055 C GLU A 70 -19.262 11.099 -14.961 1.00 0.00 C ATOM 1056 O GLU A 70 -18.987 11.306 -13.779 1.00 0.00 O ATOM 1057 CB GLU A 70 -18.005 9.107 -15.805 1.00 0.00 C ATOM 1058 CG GLU A 70 -18.952 8.296 -16.673 1.00 0.00 C ATOM 1059 CD GLU A 70 -19.091 6.861 -16.202 1.00 0.00 C ATOM 1060 OE1 GLU A 70 -19.477 6.657 -15.031 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -18.815 5.944 -17.002 1.00 0.00 O ATOM 0 H GLU A 70 -16.330 10.872 -15.013 1.00 0.00 H new ATOM 0 HA GLU A 70 -18.525 10.849 -16.953 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.978 8.853 -16.067 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -18.148 8.823 -14.762 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -19.933 8.770 -16.675 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.592 8.304 -17.702 1.00 0.00 H new ATOM 1068 N MET A 71 -20.480 11.274 -15.462 1.00 0.00 N ATOM 1069 CA MET A 71 -21.590 11.728 -14.632 1.00 0.00 C ATOM 1070 C MET A 71 -21.823 10.773 -13.466 1.00 0.00 C ATOM 1071 O MET A 71 -22.007 9.573 -13.662 1.00 0.00 O ATOM 1072 CB MET A 71 -22.864 11.851 -15.469 1.00 0.00 C ATOM 1073 CG MET A 71 -23.864 12.850 -14.911 1.00 0.00 C ATOM 1074 SD MET A 71 -25.179 13.245 -16.080 1.00 0.00 S ATOM 1075 CE MET A 71 -26.507 12.217 -15.457 1.00 0.00 C ATOM 0 H MET A 71 -20.724 11.108 -16.439 1.00 0.00 H new ATOM 0 HA MET A 71 -21.333 12.708 -14.230 1.00 0.00 H new ATOM 0 HB2 MET A 71 -22.595 12.146 -16.483 1.00 0.00 H new ATOM 0 HB3 MET A 71 -23.340 10.873 -15.537 1.00 0.00 H new ATOM 0 HG2 MET A 71 -24.304 12.447 -13.999 1.00 0.00 H new ATOM 0 HG3 MET A 71 -23.341 13.766 -14.635 1.00 0.00 H new ATOM 0 HE1 MET A 71 -27.393 12.351 -16.078 1.00 0.00 H new ATOM 0 HE2 MET A 71 -26.201 11.171 -15.483 1.00 0.00 H new ATOM 0 HE3 MET A 71 -26.737 12.502 -14.430 1.00 0.00 H new ATOM 1085 N ASN A 72 -21.814 11.315 -12.252 1.00 0.00 N ATOM 1086 CA ASN A 72 -22.024 10.509 -11.054 1.00 0.00 C ATOM 1087 C ASN A 72 -23.504 10.194 -10.863 1.00 0.00 C ATOM 1088 O ASN A 72 -24.373 10.975 -11.254 1.00 0.00 O ATOM 1089 CB ASN A 72 -21.484 11.239 -9.823 1.00 0.00 C ATOM 1090 CG ASN A 72 -22.402 12.355 -9.363 1.00 0.00 C ATOM 1091 OD1 ASN A 72 -22.249 13.507 -9.770 1.00 0.00 O ATOM 1092 ND2 ASN A 72 -23.362 12.018 -8.511 1.00 0.00 N ATOM 0 H ASN A 72 -21.664 12.308 -12.072 1.00 0.00 H new ATOM 0 HA ASN A 72 -21.484 9.570 -11.178 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -21.350 10.525 -9.011 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -20.501 11.651 -10.051 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -24.010 12.726 -8.167 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -23.452 11.051 -8.200 1.00 0.00 H new ATOM 1099 N LEU A 73 -23.785 9.044 -10.261 1.00 0.00 N ATOM 1100 CA LEU A 73 -25.161 8.624 -10.017 1.00 0.00 C ATOM 1101 C LEU A 73 -25.512 8.743 -8.537 1.00 0.00 C ATOM 1102 O LEU A 73 -24.693 8.446 -7.667 1.00 0.00 O ATOM 1103 CB LEU A 73 -25.366 7.183 -10.487 1.00 0.00 C ATOM 1104 CG LEU A 73 -25.830 7.008 -11.934 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -27.222 7.591 -12.122 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -24.843 7.659 -12.892 1.00 0.00 C ATOM 0 H LEU A 73 -23.079 8.385 -9.933 1.00 0.00 H new ATOM 0 HA LEU A 73 -25.821 9.281 -10.582 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -24.427 6.644 -10.360 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -26.097 6.709 -9.832 1.00 0.00 H new ATOM 0 HG LEU A 73 -25.872 5.942 -12.156 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -27.536 7.457 -13.157 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -27.923 7.080 -11.462 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -27.207 8.654 -11.882 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -25.189 7.525 -13.917 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -24.769 8.724 -12.670 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -23.863 7.195 -12.776 1.00 0.00 H new ATOM 1118 N THR A 74 -26.738 9.178 -8.258 1.00 0.00 N ATOM 1119 CA THR A 74 -27.198 9.335 -6.885 1.00 0.00 C ATOM 1120 C THR A 74 -28.405 8.447 -6.605 1.00 0.00 C ATOM 1121 O THR A 74 -29.481 8.649 -7.167 1.00 0.00 O ATOM 1122 CB THR A 74 -27.571 10.799 -6.581 1.00 0.00 C ATOM 1123 OG1 THR A 74 -26.478 11.662 -6.913 1.00 0.00 O ATOM 1124 CG2 THR A 74 -27.933 10.972 -5.114 1.00 0.00 C ATOM 0 H THR A 74 -27.429 9.427 -8.966 1.00 0.00 H new ATOM 0 HA THR A 74 -26.372 9.036 -6.239 1.00 0.00 H new ATOM 0 HB THR A 74 -28.438 11.063 -7.186 1.00 0.00 H new ATOM 0 HG1 THR A 74 -26.724 12.591 -6.719 1.00 0.00 H new ATOM 0 HG21 THR A 74 -28.193 12.013 -4.924 1.00 0.00 H new ATOM 0 HG22 THR A 74 -28.784 10.336 -4.872 1.00 0.00 H new ATOM 0 HG23 THR A 74 -27.082 10.691 -4.494 1.00 0.00 H new ATOM 1132 N ASN A 75 -28.219 7.462 -5.731 1.00 0.00 N ATOM 1133 CA ASN A 75 -29.294 6.542 -5.377 1.00 0.00 C ATOM 1134 C ASN A 75 -29.521 6.527 -3.868 1.00 0.00 C ATOM 1135 O ASN A 75 -28.809 7.194 -3.115 1.00 0.00 O ATOM 1136 CB ASN A 75 -28.968 5.131 -5.869 1.00 0.00 C ATOM 1137 CG ASN A 75 -29.083 5.003 -7.376 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -28.260 5.537 -8.119 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -30.107 4.293 -7.833 1.00 0.00 N ATOM 0 H ASN A 75 -27.335 7.281 -5.256 1.00 0.00 H new ATOM 0 HA ASN A 75 -30.208 6.886 -5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -27.957 4.866 -5.561 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -29.643 4.419 -5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -30.236 4.172 -8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -30.765 3.868 -7.180 1.00 0.00 H new ATOM 1146 N LEU A 76 -30.516 5.762 -3.433 1.00 0.00 N ATOM 1147 CA LEU A 76 -30.837 5.659 -2.014 1.00 0.00 C ATOM 1148 C LEU A 76 -30.773 4.209 -1.545 1.00 0.00 C ATOM 1149 O LEU A 76 -30.614 3.291 -2.350 1.00 0.00 O ATOM 1150 CB LEU A 76 -32.229 6.233 -1.742 1.00 0.00 C ATOM 1151 CG LEU A 76 -32.363 7.752 -1.859 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -32.249 8.187 -3.312 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -33.682 8.218 -1.262 1.00 0.00 C ATOM 0 H LEU A 76 -31.114 5.204 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 76 -30.098 6.235 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -32.932 5.772 -2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -32.532 5.938 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 76 -31.551 8.214 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -32.347 9.271 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -31.279 7.886 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -33.040 7.716 -3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -33.760 9.301 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -34.509 7.748 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -33.723 7.939 -0.209 1.00 0.00 H new ATOM 1165 N VAL A 77 -30.900 4.009 -0.237 1.00 0.00 N ATOM 1166 CA VAL A 77 -30.860 2.670 0.339 1.00 0.00 C ATOM 1167 C VAL A 77 -31.170 2.704 1.831 1.00 0.00 C ATOM 1168 O VAL A 77 -30.616 3.514 2.574 1.00 0.00 O ATOM 1169 CB VAL A 77 -29.485 2.009 0.127 1.00 0.00 C ATOM 1170 CG1 VAL A 77 -28.371 2.926 0.609 1.00 0.00 C ATOM 1171 CG2 VAL A 77 -29.424 0.665 0.839 1.00 0.00 C ATOM 0 H VAL A 77 -31.031 4.757 0.444 1.00 0.00 H new ATOM 0 HA VAL A 77 -31.621 2.082 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 77 -29.346 1.837 -0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -27.407 2.442 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -28.403 3.862 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -28.504 3.132 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -28.446 0.212 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -29.585 0.811 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -30.198 0.008 0.442 1.00 0.00 H new ATOM 1181 N LYS A 78 -32.061 1.819 2.265 1.00 0.00 N ATOM 1182 CA LYS A 78 -32.446 1.745 3.669 1.00 0.00 C ATOM 1183 C LYS A 78 -33.209 0.456 3.957 1.00 0.00 C ATOM 1184 O LYS A 78 -34.259 0.200 3.368 1.00 0.00 O ATOM 1185 CB LYS A 78 -33.304 2.954 4.049 1.00 0.00 C ATOM 1186 CG LYS A 78 -33.161 3.369 5.502 1.00 0.00 C ATOM 1187 CD LYS A 78 -34.134 2.618 6.396 1.00 0.00 C ATOM 1188 CE LYS A 78 -34.093 3.137 7.825 1.00 0.00 C ATOM 1189 NZ LYS A 78 -32.789 2.849 8.483 1.00 0.00 N ATOM 0 H LYS A 78 -32.530 1.142 1.663 1.00 0.00 H new ATOM 0 HA LYS A 78 -31.536 1.750 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -33.033 3.796 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -34.350 2.724 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -32.140 3.182 5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -33.335 4.441 5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -35.145 2.718 6.000 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -33.892 1.555 6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -34.270 4.212 7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -34.899 2.681 8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -32.825 3.158 9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -32.599 1.827 8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -32.030 3.361 7.989 1.00 0.00 H new ATOM 1203 N SER A 79 -32.675 -0.352 4.868 1.00 0.00 N ATOM 1204 CA SER A 79 -33.305 -1.616 5.232 1.00 0.00 C ATOM 1205 C SER A 79 -34.637 -1.376 5.935 1.00 0.00 C ATOM 1206 O SER A 79 -34.794 -0.408 6.679 1.00 0.00 O ATOM 1207 CB SER A 79 -32.377 -2.430 6.136 1.00 0.00 C ATOM 1208 OG SER A 79 -32.654 -3.816 6.034 1.00 0.00 O ATOM 0 H SER A 79 -31.808 -0.154 5.367 1.00 0.00 H new ATOM 0 HA SER A 79 -33.493 -2.177 4.317 1.00 0.00 H new ATOM 0 HB2 SER A 79 -31.339 -2.242 5.861 1.00 0.00 H new ATOM 0 HB3 SER A 79 -32.496 -2.107 7.170 1.00 0.00 H new ATOM 0 HG SER A 79 -32.047 -4.315 6.620 1.00 0.00 H new ATOM 1214 N GLY A 80 -35.595 -2.265 5.694 1.00 0.00 N ATOM 1215 CA GLY A 80 -36.903 -2.134 6.310 1.00 0.00 C ATOM 1216 C GLY A 80 -37.340 -3.400 7.018 1.00 0.00 C ATOM 1217 O GLY A 80 -36.523 -4.246 7.384 1.00 0.00 O ATOM 0 H GLY A 80 -35.489 -3.075 5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -36.884 -1.310 7.024 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -37.637 -1.877 5.546 1.00 0.00 H new ATOM 1221 N PRO A 81 -38.658 -3.544 7.223 1.00 0.00 N ATOM 1222 CA PRO A 81 -39.232 -4.713 7.895 1.00 0.00 C ATOM 1223 C PRO A 81 -39.127 -5.977 7.049 1.00 0.00 C ATOM 1224 O PRO A 81 -38.757 -5.922 5.876 1.00 0.00 O ATOM 1225 CB PRO A 81 -40.699 -4.323 8.094 1.00 0.00 C ATOM 1226 CG PRO A 81 -40.975 -3.327 7.021 1.00 0.00 C ATOM 1227 CD PRO A 81 -39.689 -2.575 6.814 1.00 0.00 C ATOM 0 HA PRO A 81 -38.710 -4.947 8.822 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -41.354 -5.190 8.008 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -40.864 -3.896 9.083 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -41.291 -3.821 6.102 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -41.779 -2.652 7.313 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -39.564 -2.270 5.775 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -39.651 -1.669 7.419 1.00 0.00 H new ATOM 1235 N SER A 82 -39.454 -7.116 7.651 1.00 0.00 N ATOM 1236 CA SER A 82 -39.393 -8.395 6.954 1.00 0.00 C ATOM 1237 C SER A 82 -40.018 -9.503 7.795 1.00 0.00 C ATOM 1238 O SER A 82 -40.240 -9.337 8.995 1.00 0.00 O ATOM 1239 CB SER A 82 -37.943 -8.749 6.620 1.00 0.00 C ATOM 1240 OG SER A 82 -37.871 -9.583 5.476 1.00 0.00 O ATOM 0 H SER A 82 -39.764 -7.179 8.621 1.00 0.00 H new ATOM 0 HA SER A 82 -39.960 -8.303 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 82 -37.374 -7.836 6.445 1.00 0.00 H new ATOM 0 HB3 SER A 82 -37.483 -9.253 7.470 1.00 0.00 H new ATOM 0 HG SER A 82 -36.933 -9.793 5.283 1.00 0.00 H new ATOM 1246 N SER A 83 -40.300 -10.635 7.157 1.00 0.00 N ATOM 1247 CA SER A 83 -40.904 -11.770 7.845 1.00 0.00 C ATOM 1248 C SER A 83 -40.375 -13.088 7.286 1.00 0.00 C ATOM 1249 O SER A 83 -39.549 -13.101 6.375 1.00 0.00 O ATOM 1250 CB SER A 83 -42.427 -11.723 7.713 1.00 0.00 C ATOM 1251 OG SER A 83 -43.052 -12.477 8.737 1.00 0.00 O ATOM 0 H SER A 83 -40.120 -10.790 6.165 1.00 0.00 H new ATOM 0 HA SER A 83 -40.636 -11.708 8.900 1.00 0.00 H new ATOM 0 HB2 SER A 83 -42.767 -10.689 7.760 1.00 0.00 H new ATOM 0 HB3 SER A 83 -42.723 -12.112 6.739 1.00 0.00 H new ATOM 0 HG SER A 83 -44.025 -12.429 8.631 1.00 0.00 H new ATOM 1257 N GLY A 84 -40.857 -14.195 7.842 1.00 0.00 N ATOM 1258 CA GLY A 84 -40.422 -15.503 7.387 1.00 0.00 C ATOM 1259 C GLY A 84 -41.502 -16.556 7.532 1.00 0.00 C ATOM 1260 O GLY A 84 -42.680 -16.229 7.393 1.00 0.00 O ATOM 0 H GLY A 84 -41.541 -14.210 8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -40.120 -15.439 6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -39.543 -15.808 7.955 1.00 0.00 H new TER 1264 GLY A 84 HETATM 1265 ZN ZN A 201 -6.876 -0.703 -7.991 1.00 0.00 ZN HETATM 1266 ZN ZN A 401 2.666 1.900 -5.127 1.00 0.00 ZN