USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 ASN : amide:sc= -0.667 K(o=-0.67,f=-2.5!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -164:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -138:sc= -0.0319 (180deg=-0.793) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.16! USER MOD Single : A 13 GLN :FLIP amide:sc= -9.88! C(o=-10!,f=-9.9!) USER MOD Single : A 15 ASN : amide:sc= -8.82! C(o=-8.8!,f=-14!) USER MOD Single : A 19 SER OG : rot -21:sc= 0.571! USER MOD Single : A 20 GLN : amide:sc= -0.009! K(o=-0.009!,f=-1.2) USER MOD Single : A 27 GLN : amide:sc= -0.209 K(o=-0.21,f=-2.2!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 15:sc= 0.848 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 30:sc= 0.938 USER MOD Single : A 43 SER OG : rot 180:sc= -0.81 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -63:sc= 0.436 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -2.43 K(o=-2.4,f=-5.1!) USER MOD Single : A 51 LYS NZ :NH3+ 147:sc= -0.225 (180deg=-1.18!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.477! USER MOD Single : A 58 THR OG1 : rot 90:sc= -1.08! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.285 X(o=-0.28,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.587 USER MOD Single : A 71 MET CE :methyl -131:sc= -1.81 (180deg=-6.44!) USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= -0.304 (180deg=-1.47!) USER MOD Single : A 78 ASN : amide:sc= -8.39! C(o=-8.4!,f=-15!) USER MOD Single : A 79 HIS : no HE2:sc= -24.7! C(o=-25!,f=-28!) USER MOD Single : A 80 THR OG1 : rot 140:sc= -2.76! USER MOD Single : A 83 HIS :FLIP no HD1:sc= -1.68 F(o=-3.7,f=-1.7) USER MOD Single : A 85 SER OG : rot 180:sc= 0.288 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-1.3) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -35:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.022 11.419 6.118 1.00 0.00 N ATOM 2 CA ALA A 1 12.753 11.876 6.741 1.00 0.00 C ATOM 3 C ALA A 1 12.448 11.087 8.008 1.00 0.00 C ATOM 4 O ALA A 1 11.544 10.251 8.029 1.00 0.00 O ATOM 5 CB ALA A 1 11.604 11.746 5.754 1.00 0.00 C ATOM 0 H1 ALA A 1 14.567 12.244 5.795 1.00 0.00 H new ATOM 0 H2 ALA A 1 14.580 10.887 6.816 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.809 10.806 5.306 1.00 0.00 H new ATOM 0 HA ALA A 1 12.870 12.925 7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.681 12.084 6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.809 12.357 4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.498 10.703 5.455 1.00 0.00 H new ATOM 13 N PRO A 2 13.201 11.346 9.084 1.00 0.00 N ATOM 14 CA PRO A 2 13.009 10.660 10.364 1.00 0.00 C ATOM 15 C PRO A 2 11.706 11.064 11.043 1.00 0.00 C ATOM 16 O PRO A 2 11.289 10.449 12.025 1.00 0.00 O ATOM 17 CB PRO A 2 14.212 11.115 11.192 1.00 0.00 C ATOM 18 CG PRO A 2 14.593 12.432 10.610 1.00 0.00 C ATOM 19 CD PRO A 2 14.296 12.331 9.140 1.00 0.00 C ATOM 0 HA PRO A 2 12.943 9.578 10.245 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.955 11.208 12.247 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.032 10.400 11.125 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.025 13.241 11.069 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.648 12.645 10.782 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.995 13.292 8.723 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.167 11.998 8.575 1.00 0.00 H new ATOM 27 N ASP A 3 11.066 12.102 10.513 1.00 0.00 N ATOM 28 CA ASP A 3 9.808 12.592 11.067 1.00 0.00 C ATOM 29 C ASP A 3 8.662 11.633 10.754 1.00 0.00 C ATOM 30 O ASP A 3 8.417 10.680 11.495 1.00 0.00 O ATOM 31 CB ASP A 3 9.488 13.980 10.511 1.00 0.00 C ATOM 32 CG ASP A 3 10.391 15.057 11.081 1.00 0.00 C ATOM 33 OD1 ASP A 3 10.152 15.485 12.229 1.00 0.00 O ATOM 34 OD2 ASP A 3 11.336 15.474 10.377 1.00 0.00 O ATOM 0 H ASP A 3 11.398 12.621 9.700 1.00 0.00 H new ATOM 0 HA ASP A 3 9.920 12.656 12.149 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.587 13.965 9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.450 14.226 10.733 1.00 0.00 H new ATOM 39 N VAL A 4 7.960 11.893 9.654 1.00 0.00 N ATOM 40 CA VAL A 4 6.838 11.055 9.248 1.00 0.00 C ATOM 41 C VAL A 4 6.038 10.590 10.461 1.00 0.00 C ATOM 42 O VAL A 4 6.324 9.545 11.046 1.00 0.00 O ATOM 43 CB VAL A 4 7.316 9.827 8.450 1.00 0.00 C ATOM 44 CG1 VAL A 4 6.171 8.851 8.232 1.00 0.00 C ATOM 45 CG2 VAL A 4 7.920 10.261 7.121 1.00 0.00 C ATOM 0 H VAL A 4 8.149 12.677 9.029 1.00 0.00 H new ATOM 0 HA VAL A 4 6.198 11.662 8.608 1.00 0.00 H new ATOM 0 HB VAL A 4 8.088 9.317 9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.529 7.991 7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.788 8.518 9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.373 9.344 7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.253 9.382 6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.170 10.794 6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.770 10.918 7.305 1.00 0.00 H new ATOM 55 N GLN A 5 5.040 11.385 10.839 1.00 0.00 N ATOM 56 CA GLN A 5 4.198 11.073 11.990 1.00 0.00 C ATOM 57 C GLN A 5 2.957 10.281 11.571 1.00 0.00 C ATOM 58 O GLN A 5 3.044 9.368 10.750 1.00 0.00 O ATOM 59 CB GLN A 5 3.786 12.365 12.703 1.00 0.00 C ATOM 60 CG GLN A 5 4.796 13.496 12.562 1.00 0.00 C ATOM 61 CD GLN A 5 4.199 14.735 11.922 1.00 0.00 C ATOM 62 OE1 GLN A 5 3.654 14.680 10.820 1.00 0.00 O ATOM 63 NE2 GLN A 5 4.300 15.865 12.615 1.00 0.00 N ATOM 0 H GLN A 5 4.794 12.253 10.363 1.00 0.00 H new ATOM 0 HA GLN A 5 4.776 10.453 12.676 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.826 12.697 12.307 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.638 12.153 13.762 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.188 13.753 13.546 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.639 13.152 11.963 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.760 15.866 13.525 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.917 16.731 12.236 1.00 0.00 H new ATOM 72 N ASP A 6 1.810 10.633 12.153 1.00 0.00 N ATOM 73 CA ASP A 6 0.544 9.963 11.860 1.00 0.00 C ATOM 74 C ASP A 6 0.564 9.277 10.497 1.00 0.00 C ATOM 75 O ASP A 6 1.160 9.777 9.542 1.00 0.00 O ATOM 76 CB ASP A 6 -0.611 10.967 11.919 1.00 0.00 C ATOM 77 CG ASP A 6 -1.127 11.171 13.330 1.00 0.00 C ATOM 78 OD1 ASP A 6 -0.412 11.799 14.140 1.00 0.00 O ATOM 79 OD2 ASP A 6 -2.248 10.705 13.625 1.00 0.00 O ATOM 0 H ASP A 6 1.733 11.386 12.837 1.00 0.00 H new ATOM 0 HA ASP A 6 0.399 9.193 12.618 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.279 11.923 11.515 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.425 10.618 11.284 1.00 0.00 H new ATOM 84 N CYS A 7 -0.099 8.127 10.420 1.00 0.00 N ATOM 85 CA CYS A 7 -0.173 7.354 9.185 1.00 0.00 C ATOM 86 C CYS A 7 -0.207 8.267 7.962 1.00 0.00 C ATOM 87 O CYS A 7 -1.232 8.879 7.660 1.00 0.00 O ATOM 88 CB CYS A 7 -1.416 6.460 9.202 1.00 0.00 C ATOM 89 SG CYS A 7 -1.057 4.684 9.396 1.00 0.00 S ATOM 0 H CYS A 7 -0.596 7.707 11.205 1.00 0.00 H new ATOM 0 HA CYS A 7 0.721 6.733 9.121 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.068 6.778 10.016 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.969 6.608 8.274 1.00 0.00 H new ATOM 94 N PRO A 8 0.920 8.366 7.239 1.00 0.00 N ATOM 95 CA PRO A 8 1.023 9.204 6.039 1.00 0.00 C ATOM 96 C PRO A 8 0.204 8.652 4.877 1.00 0.00 C ATOM 97 O PRO A 8 -0.555 7.697 5.040 1.00 0.00 O ATOM 98 CB PRO A 8 2.517 9.173 5.709 1.00 0.00 C ATOM 99 CG PRO A 8 3.014 7.902 6.306 1.00 0.00 C ATOM 100 CD PRO A 8 2.181 7.664 7.537 1.00 0.00 C ATOM 0 HA PRO A 8 0.634 10.208 6.207 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.684 9.196 4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.033 10.036 6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.914 7.076 5.602 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.071 7.978 6.560 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.017 6.601 7.711 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.661 8.063 8.430 1.00 0.00 H new ATOM 108 N GLU A 9 0.360 9.258 3.704 1.00 0.00 N ATOM 109 CA GLU A 9 -0.368 8.827 2.519 1.00 0.00 C ATOM 110 C GLU A 9 0.246 7.560 1.934 1.00 0.00 C ATOM 111 O GLU A 9 1.467 7.417 1.869 1.00 0.00 O ATOM 112 CB GLU A 9 -0.387 9.939 1.470 1.00 0.00 C ATOM 113 CG GLU A 9 -1.661 9.973 0.643 1.00 0.00 C ATOM 114 CD GLU A 9 -1.886 11.317 -0.023 1.00 0.00 C ATOM 115 OE1 GLU A 9 -2.490 12.203 0.617 1.00 0.00 O ATOM 116 OE2 GLU A 9 -1.457 11.483 -1.184 1.00 0.00 O ATOM 0 H GLU A 9 0.985 10.049 3.550 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.394 8.605 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.262 10.900 1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.466 9.813 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.616 9.196 -0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.512 9.741 1.283 1.00 0.00 H new ATOM 123 N CYS A 10 -0.615 6.641 1.521 1.00 0.00 N ATOM 124 CA CYS A 10 -0.176 5.371 0.951 1.00 0.00 C ATOM 125 C CYS A 10 0.419 5.551 -0.444 1.00 0.00 C ATOM 126 O CYS A 10 0.032 6.452 -1.188 1.00 0.00 O ATOM 127 CB CYS A 10 -1.347 4.389 0.889 1.00 0.00 C ATOM 128 SG CYS A 10 -1.049 2.948 -0.185 1.00 0.00 S ATOM 0 H CYS A 10 -1.628 6.750 1.570 1.00 0.00 H new ATOM 0 HA CYS A 10 0.604 4.972 1.600 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.568 4.038 1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.232 4.917 0.534 1.00 0.00 H new ATOM 133 N THR A 11 1.360 4.675 -0.787 1.00 0.00 N ATOM 134 CA THR A 11 2.019 4.711 -2.088 1.00 0.00 C ATOM 135 C THR A 11 3.291 3.888 -2.052 1.00 0.00 C ATOM 136 O THR A 11 3.517 3.132 -1.114 1.00 0.00 O ATOM 137 CB THR A 11 2.353 6.144 -2.491 1.00 0.00 C ATOM 138 OG1 THR A 11 3.176 6.160 -3.644 1.00 0.00 O ATOM 139 CG2 THR A 11 3.071 6.917 -1.405 1.00 0.00 C ATOM 0 H THR A 11 1.685 3.926 -0.176 1.00 0.00 H new ATOM 0 HA THR A 11 1.334 4.291 -2.824 1.00 0.00 H new ATOM 0 HB THR A 11 1.393 6.623 -2.683 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.378 7.087 -3.889 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.279 7.928 -1.755 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.443 6.963 -0.515 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.008 6.417 -1.161 1.00 0.00 H new ATOM 147 N LEU A 12 4.126 4.049 -3.069 1.00 0.00 N ATOM 148 CA LEU A 12 5.383 3.320 -3.137 1.00 0.00 C ATOM 149 C LEU A 12 6.538 4.201 -2.720 1.00 0.00 C ATOM 150 O LEU A 12 6.649 5.348 -3.154 1.00 0.00 O ATOM 151 CB LEU A 12 5.643 2.801 -4.544 1.00 0.00 C ATOM 152 CG LEU A 12 4.817 1.591 -4.943 1.00 0.00 C ATOM 153 CD1 LEU A 12 3.371 1.797 -4.538 1.00 0.00 C ATOM 154 CD2 LEU A 12 4.942 1.357 -6.438 1.00 0.00 C ATOM 0 H LEU A 12 3.956 4.676 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 12 5.302 2.475 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.449 3.605 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.699 2.547 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 12 5.189 0.706 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.784 0.925 -4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.311 1.932 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.976 2.682 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.348 0.488 -6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.581 2.234 -6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.987 1.181 -6.693 1.00 0.00 H new ATOM 166 N GLN A 13 7.404 3.657 -1.888 1.00 0.00 N ATOM 167 CA GLN A 13 8.559 4.401 -1.431 1.00 0.00 C ATOM 168 C GLN A 13 9.806 3.964 -2.159 1.00 0.00 C ATOM 169 O GLN A 13 10.825 3.642 -1.551 1.00 0.00 O ATOM 170 CB GLN A 13 8.748 4.238 0.053 1.00 0.00 C ATOM 171 CG GLN A 13 8.201 5.412 0.844 1.00 0.00 C ATOM 172 CD GLN A 13 8.368 5.252 2.339 1.00 0.00 C ATOM 173 OE1 GLN A 13 7.587 6.012 3.098 1.00 0.00 O flip ATOM 174 NE2 GLN A 13 9.186 4.460 2.807 1.00 0.00 N flip ATOM 0 H GLN A 13 7.330 2.710 -1.517 1.00 0.00 H new ATOM 0 HA GLN A 13 8.381 5.454 -1.648 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.254 3.323 0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.810 4.122 0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.705 6.324 0.524 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.143 5.535 0.614 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.765 3.897 2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.285 4.367 3.818 1.00 0.00 H new ATOM 183 N GLU A 14 9.685 3.950 -3.469 1.00 0.00 N ATOM 184 CA GLU A 14 10.769 3.545 -4.361 1.00 0.00 C ATOM 185 C GLU A 14 12.025 3.241 -3.578 1.00 0.00 C ATOM 186 O GLU A 14 12.563 4.091 -2.869 1.00 0.00 O ATOM 187 CB GLU A 14 11.064 4.608 -5.409 1.00 0.00 C ATOM 188 CG GLU A 14 11.369 4.032 -6.785 1.00 0.00 C ATOM 189 CD GLU A 14 10.806 4.880 -7.910 1.00 0.00 C ATOM 190 OE1 GLU A 14 10.548 6.079 -7.677 1.00 0.00 O ATOM 191 OE2 GLU A 14 10.623 4.344 -9.023 1.00 0.00 O ATOM 0 H GLU A 14 8.830 4.219 -3.956 1.00 0.00 H new ATOM 0 HA GLU A 14 10.439 2.642 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.209 5.279 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.912 5.208 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.449 3.944 -6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.957 3.025 -6.853 1.00 0.00 H new ATOM 198 N ASN A 15 12.460 2.012 -3.706 1.00 0.00 N ATOM 199 CA ASN A 15 13.629 1.525 -3.007 1.00 0.00 C ATOM 200 C ASN A 15 14.923 2.151 -3.497 1.00 0.00 C ATOM 201 O ASN A 15 15.484 1.734 -4.510 1.00 0.00 O ATOM 202 CB ASN A 15 13.722 0.013 -3.124 1.00 0.00 C ATOM 203 CG ASN A 15 13.824 -0.653 -1.774 1.00 0.00 C ATOM 204 OD1 ASN A 15 14.899 -0.721 -1.178 1.00 0.00 O ATOM 205 ND2 ASN A 15 12.702 -1.149 -1.285 1.00 0.00 N ATOM 0 H ASN A 15 12.012 1.315 -4.301 1.00 0.00 H new ATOM 0 HA ASN A 15 13.505 1.816 -1.964 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.845 -0.365 -3.649 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.592 -0.251 -3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.703 -1.612 -0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.835 -1.069 -1.816 1.00 0.00 H new ATOM 212 N PRO A 16 15.456 3.118 -2.739 1.00 0.00 N ATOM 213 CA PRO A 16 16.726 3.751 -3.048 1.00 0.00 C ATOM 214 C PRO A 16 17.841 2.835 -2.578 1.00 0.00 C ATOM 215 O PRO A 16 18.994 3.236 -2.421 1.00 0.00 O ATOM 216 CB PRO A 16 16.700 5.054 -2.229 1.00 0.00 C ATOM 217 CG PRO A 16 15.403 5.043 -1.473 1.00 0.00 C ATOM 218 CD PRO A 16 14.912 3.623 -1.480 1.00 0.00 C ATOM 0 HA PRO A 16 16.884 3.945 -4.109 1.00 0.00 H new ATOM 0 HB2 PRO A 16 17.549 5.103 -1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 16 16.764 5.925 -2.881 1.00 0.00 H new ATOM 0 HG2 PRO A 16 15.547 5.398 -0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.676 5.706 -1.942 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.280 3.060 -0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.824 3.568 -1.455 1.00 0.00 H new ATOM 226 N PHE A 17 17.441 1.592 -2.328 1.00 0.00 N ATOM 227 CA PHE A 17 18.318 0.551 -1.842 1.00 0.00 C ATOM 228 C PHE A 17 18.550 -0.510 -2.906 1.00 0.00 C ATOM 229 O PHE A 17 19.678 -0.755 -3.336 1.00 0.00 O ATOM 230 CB PHE A 17 17.661 -0.104 -0.628 1.00 0.00 C ATOM 231 CG PHE A 17 18.641 -0.644 0.356 1.00 0.00 C ATOM 232 CD1 PHE A 17 19.114 -1.937 0.235 1.00 0.00 C ATOM 233 CD2 PHE A 17 19.088 0.142 1.397 1.00 0.00 C ATOM 234 CE1 PHE A 17 20.025 -2.440 1.144 1.00 0.00 C ATOM 235 CE2 PHE A 17 19.999 -0.350 2.311 1.00 0.00 C ATOM 236 CZ PHE A 17 20.469 -1.644 2.185 1.00 0.00 C ATOM 0 H PHE A 17 16.479 1.282 -2.463 1.00 0.00 H new ATOM 0 HA PHE A 17 19.279 0.993 -1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 17 17.023 0.627 -0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 17 17.014 -0.913 -0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 17 18.769 -2.560 -0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.722 1.153 1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 17 20.389 -3.452 1.042 1.00 0.00 H new ATOM 0 HE2 PHE A 17 20.343 0.275 3.122 1.00 0.00 H new ATOM 0 HZ PHE A 17 21.181 -2.033 2.898 1.00 0.00 H new ATOM 246 N PHE A 18 17.461 -1.150 -3.298 1.00 0.00 N ATOM 247 CA PHE A 18 17.496 -2.213 -4.287 1.00 0.00 C ATOM 248 C PHE A 18 17.727 -1.676 -5.695 1.00 0.00 C ATOM 249 O PHE A 18 18.104 -2.429 -6.593 1.00 0.00 O ATOM 250 CB PHE A 18 16.187 -2.993 -4.228 1.00 0.00 C ATOM 251 CG PHE A 18 15.810 -3.410 -2.836 1.00 0.00 C ATOM 252 CD1 PHE A 18 16.752 -3.974 -1.995 1.00 0.00 C ATOM 253 CD2 PHE A 18 14.518 -3.242 -2.370 1.00 0.00 C ATOM 254 CE1 PHE A 18 16.415 -4.367 -0.713 1.00 0.00 C ATOM 255 CE2 PHE A 18 14.172 -3.630 -1.089 1.00 0.00 C ATOM 256 CZ PHE A 18 15.122 -4.195 -0.260 1.00 0.00 C ATOM 0 H PHE A 18 16.528 -0.947 -2.939 1.00 0.00 H new ATOM 0 HA PHE A 18 18.334 -2.870 -4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.388 -2.381 -4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.271 -3.880 -4.856 1.00 0.00 H new ATOM 0 HD1 PHE A 18 17.765 -4.109 -2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.771 -2.803 -3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 18 17.161 -4.807 -0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.160 -3.492 -0.737 1.00 0.00 H new ATOM 0 HZ PHE A 18 14.854 -4.501 0.740 1.00 0.00 H new ATOM 266 N SER A 19 17.492 -0.379 -5.883 1.00 0.00 N ATOM 267 CA SER A 19 17.669 0.261 -7.184 1.00 0.00 C ATOM 268 C SER A 19 18.418 -0.644 -8.153 1.00 0.00 C ATOM 269 O SER A 19 19.544 -1.066 -7.889 1.00 0.00 O ATOM 270 CB SER A 19 18.407 1.592 -7.032 1.00 0.00 C ATOM 271 OG SER A 19 19.792 1.441 -7.292 1.00 0.00 O ATOM 0 H SER A 19 17.177 0.252 -5.146 1.00 0.00 H new ATOM 0 HA SER A 19 16.677 0.450 -7.595 1.00 0.00 H new ATOM 0 HB2 SER A 19 17.983 2.326 -7.717 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.263 1.978 -6.023 1.00 0.00 H new ATOM 0 HG SER A 19 20.046 0.501 -7.178 1.00 0.00 H new ATOM 277 N GLN A 20 17.774 -0.941 -9.272 1.00 0.00 N ATOM 278 CA GLN A 20 18.356 -1.802 -10.294 1.00 0.00 C ATOM 279 C GLN A 20 18.510 -1.049 -11.612 1.00 0.00 C ATOM 280 O GLN A 20 18.098 0.105 -11.729 1.00 0.00 O ATOM 281 CB GLN A 20 17.481 -3.042 -10.493 1.00 0.00 C ATOM 282 CG GLN A 20 17.157 -3.770 -9.200 1.00 0.00 C ATOM 283 CD GLN A 20 18.299 -4.648 -8.728 1.00 0.00 C ATOM 284 OE1 GLN A 20 18.320 -5.852 -8.987 1.00 0.00 O ATOM 285 NE2 GLN A 20 19.256 -4.049 -8.030 1.00 0.00 N ATOM 0 H GLN A 20 16.841 -0.596 -9.497 1.00 0.00 H new ATOM 0 HA GLN A 20 19.346 -2.114 -9.961 1.00 0.00 H new ATOM 0 HB2 GLN A 20 16.550 -2.746 -10.977 1.00 0.00 H new ATOM 0 HB3 GLN A 20 17.988 -3.729 -11.170 1.00 0.00 H new ATOM 0 HG2 GLN A 20 16.919 -3.041 -8.426 1.00 0.00 H new ATOM 0 HG3 GLN A 20 16.267 -4.383 -9.345 1.00 0.00 H new ATOM 0 HE21 GLN A 20 19.198 -3.049 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 20 20.050 -4.589 -7.685 1.00 0.00 H new ATOM 294 N PRO A 21 19.109 -1.693 -12.625 1.00 0.00 N ATOM 295 CA PRO A 21 19.317 -1.077 -13.938 1.00 0.00 C ATOM 296 C PRO A 21 18.037 -0.481 -14.517 1.00 0.00 C ATOM 297 O PRO A 21 17.375 -1.098 -15.352 1.00 0.00 O ATOM 298 CB PRO A 21 19.806 -2.243 -14.801 1.00 0.00 C ATOM 299 CG PRO A 21 20.440 -3.182 -13.835 1.00 0.00 C ATOM 300 CD PRO A 21 19.633 -3.071 -12.573 1.00 0.00 C ATOM 0 HA PRO A 21 20.015 -0.241 -13.888 1.00 0.00 H new ATOM 0 HB2 PRO A 21 18.981 -2.717 -15.332 1.00 0.00 H new ATOM 0 HB3 PRO A 21 20.519 -1.908 -15.554 1.00 0.00 H new ATOM 0 HG2 PRO A 21 20.431 -4.203 -14.217 1.00 0.00 H new ATOM 0 HG3 PRO A 21 21.482 -2.917 -13.658 1.00 0.00 H new ATOM 0 HD2 PRO A 21 18.829 -3.806 -12.544 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.247 -3.235 -11.687 1.00 0.00 H new ATOM 308 N GLY A 22 17.701 0.728 -14.078 1.00 0.00 N ATOM 309 CA GLY A 22 16.511 1.396 -14.576 1.00 0.00 C ATOM 310 C GLY A 22 15.305 1.256 -13.663 1.00 0.00 C ATOM 311 O GLY A 22 14.167 1.286 -14.130 1.00 0.00 O ATOM 0 H GLY A 22 18.231 1.258 -13.386 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.730 2.455 -14.714 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.262 0.992 -15.557 1.00 0.00 H new ATOM 315 N ALA A 23 15.542 1.110 -12.363 1.00 0.00 N ATOM 316 CA ALA A 23 14.447 0.978 -11.409 1.00 0.00 C ATOM 317 C ALA A 23 14.953 1.003 -9.986 1.00 0.00 C ATOM 318 O ALA A 23 15.772 0.182 -9.580 1.00 0.00 O ATOM 319 CB ALA A 23 13.650 -0.290 -11.680 1.00 0.00 C ATOM 0 H ALA A 23 16.474 1.080 -11.949 1.00 0.00 H new ATOM 0 HA ALA A 23 13.784 1.834 -11.538 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.838 -0.370 -10.958 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.237 -0.252 -12.688 1.00 0.00 H new ATOM 0 HB3 ALA A 23 14.304 -1.157 -11.589 1.00 0.00 H new ATOM 325 N PRO A 24 14.464 1.972 -9.214 1.00 0.00 N ATOM 326 CA PRO A 24 14.844 2.160 -7.832 1.00 0.00 C ATOM 327 C PRO A 24 13.930 1.410 -6.868 1.00 0.00 C ATOM 328 O PRO A 24 13.630 1.896 -5.781 1.00 0.00 O ATOM 329 CB PRO A 24 14.713 3.678 -7.658 1.00 0.00 C ATOM 330 CG PRO A 24 13.917 4.183 -8.828 1.00 0.00 C ATOM 331 CD PRO A 24 13.500 2.988 -9.631 1.00 0.00 C ATOM 0 HA PRO A 24 15.839 1.773 -7.611 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.214 3.918 -6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.695 4.150 -7.627 1.00 0.00 H new ATOM 0 HG2 PRO A 24 13.045 4.741 -8.487 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.514 4.864 -9.434 1.00 0.00 H new ATOM 0 HD2 PRO A 24 12.475 2.689 -9.411 1.00 0.00 H new ATOM 0 HD3 PRO A 24 13.552 3.181 -10.702 1.00 0.00 H new ATOM 339 N ILE A 25 13.508 0.216 -7.277 1.00 0.00 N ATOM 340 CA ILE A 25 12.644 -0.628 -6.473 1.00 0.00 C ATOM 341 C ILE A 25 11.670 0.169 -5.624 1.00 0.00 C ATOM 342 O ILE A 25 11.588 1.387 -5.747 1.00 0.00 O ATOM 343 CB ILE A 25 13.465 -1.596 -5.615 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.272 -2.476 -6.543 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.533 -2.451 -4.793 1.00 0.00 C ATOM 346 CD1 ILE A 25 13.425 -2.970 -7.683 1.00 0.00 C ATOM 0 H ILE A 25 13.759 -0.190 -8.179 1.00 0.00 H new ATOM 0 HA ILE A 25 12.041 -1.212 -7.168 1.00 0.00 H new ATOM 0 HB ILE A 25 14.126 -1.045 -4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.123 -1.917 -6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.674 -3.324 -5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.116 -3.140 -4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.930 -1.814 -4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.879 -3.018 -5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.027 -3.601 -8.337 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.588 -3.548 -7.291 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.045 -2.120 -8.249 1.00 0.00 H new ATOM 358 N LEU A 26 10.874 -0.531 -4.815 1.00 0.00 N ATOM 359 CA LEU A 26 9.851 0.119 -4.018 1.00 0.00 C ATOM 360 C LEU A 26 9.450 -0.663 -2.797 1.00 0.00 C ATOM 361 O LEU A 26 10.148 -1.561 -2.325 1.00 0.00 O ATOM 362 CB LEU A 26 8.634 0.272 -4.886 1.00 0.00 C ATOM 363 CG LEU A 26 8.943 0.052 -6.346 1.00 0.00 C ATOM 364 CD1 LEU A 26 7.740 -0.490 -7.077 1.00 0.00 C ATOM 365 CD2 LEU A 26 9.437 1.329 -7.002 1.00 0.00 C ATOM 0 H LEU A 26 10.923 -1.543 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 26 10.258 1.069 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.871 -0.438 -4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.217 1.270 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 26 9.741 -0.688 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.989 -0.640 -8.127 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.444 -1.441 -6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.916 0.219 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.651 1.138 -8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.670 2.099 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.345 1.667 -6.502 1.00 0.00 H new ATOM 377 N GLN A 27 8.285 -0.287 -2.317 1.00 0.00 N ATOM 378 CA GLN A 27 7.677 -0.906 -1.150 1.00 0.00 C ATOM 379 C GLN A 27 6.549 -0.036 -0.613 1.00 0.00 C ATOM 380 O GLN A 27 6.738 0.746 0.319 1.00 0.00 O ATOM 381 CB GLN A 27 8.726 -1.152 -0.075 1.00 0.00 C ATOM 382 CG GLN A 27 8.149 -1.615 1.251 1.00 0.00 C ATOM 383 CD GLN A 27 8.970 -2.721 1.884 1.00 0.00 C ATOM 384 OE1 GLN A 27 10.064 -3.040 1.419 1.00 0.00 O ATOM 385 NE2 GLN A 27 8.446 -3.312 2.952 1.00 0.00 N ATOM 0 H GLN A 27 7.726 0.462 -2.725 1.00 0.00 H new ATOM 0 HA GLN A 27 7.256 -1.867 -1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.432 -1.901 -0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.290 -0.233 0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.095 -0.769 1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.129 -1.966 1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.536 -3.016 3.304 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.954 -4.062 3.420 1.00 0.00 H new ATOM 394 N CYS A 28 5.379 -0.176 -1.229 1.00 0.00 N ATOM 395 CA CYS A 28 4.199 0.593 -0.851 1.00 0.00 C ATOM 396 C CYS A 28 4.292 1.055 0.600 1.00 0.00 C ATOM 397 O CYS A 28 4.186 0.249 1.525 1.00 0.00 O ATOM 398 CB CYS A 28 2.922 -0.231 -1.046 1.00 0.00 C ATOM 399 SG CYS A 28 1.561 0.686 -1.843 1.00 0.00 S ATOM 0 H CYS A 28 5.223 -0.823 -2.002 1.00 0.00 H new ATOM 0 HA CYS A 28 4.157 1.468 -1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.157 -1.109 -1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.583 -0.592 -0.075 1.00 0.00 H new ATOM 404 N MET A 29 4.497 2.351 0.794 1.00 0.00 N ATOM 405 CA MET A 29 4.609 2.909 2.134 1.00 0.00 C ATOM 406 C MET A 29 3.585 4.016 2.352 1.00 0.00 C ATOM 407 O MET A 29 3.358 4.850 1.477 1.00 0.00 O ATOM 408 CB MET A 29 6.022 3.447 2.361 1.00 0.00 C ATOM 409 CG MET A 29 6.296 3.854 3.798 1.00 0.00 C ATOM 410 SD MET A 29 5.623 2.687 4.994 1.00 0.00 S ATOM 411 CE MET A 29 6.879 2.760 6.268 1.00 0.00 C ATOM 0 H MET A 29 4.589 3.034 0.042 1.00 0.00 H new ATOM 0 HA MET A 29 4.409 2.114 2.853 1.00 0.00 H new ATOM 0 HB2 MET A 29 6.743 2.685 2.064 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.182 4.308 1.712 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.372 3.940 3.947 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.869 4.840 3.979 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.609 2.090 7.084 1.00 0.00 H new ATOM 0 HE2 MET A 29 7.839 2.455 5.851 1.00 0.00 H new ATOM 0 HE3 MET A 29 6.955 3.780 6.646 1.00 0.00 H new ATOM 421 N GLY A 30 2.967 4.014 3.528 1.00 0.00 N ATOM 422 CA GLY A 30 1.974 5.019 3.844 1.00 0.00 C ATOM 423 C GLY A 30 0.716 4.420 4.437 1.00 0.00 C ATOM 424 O GLY A 30 0.721 3.278 4.896 1.00 0.00 O ATOM 0 H GLY A 30 3.138 3.333 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.398 5.737 4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.719 5.571 2.939 1.00 0.00 H new ATOM 428 N CYS A 31 -0.362 5.194 4.429 1.00 0.00 N ATOM 429 CA CYS A 31 -1.632 4.735 4.973 1.00 0.00 C ATOM 430 C CYS A 31 -2.803 5.351 4.218 1.00 0.00 C ATOM 431 O CYS A 31 -2.614 6.194 3.341 1.00 0.00 O ATOM 432 CB CYS A 31 -1.718 5.080 6.459 1.00 0.00 C ATOM 433 SG CYS A 31 -0.627 4.069 7.511 1.00 0.00 S ATOM 0 H CYS A 31 -0.381 6.142 4.052 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.686 3.653 4.855 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.465 6.132 6.594 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.748 4.954 6.793 1.00 0.00 H new ATOM 438 N CYS A 32 -4.012 4.920 4.560 1.00 0.00 N ATOM 439 CA CYS A 32 -5.217 5.424 3.911 1.00 0.00 C ATOM 440 C CYS A 32 -6.158 6.066 4.924 1.00 0.00 C ATOM 441 O CYS A 32 -7.379 5.967 4.800 1.00 0.00 O ATOM 442 CB CYS A 32 -5.937 4.290 3.180 1.00 0.00 C ATOM 443 SG CYS A 32 -5.437 4.096 1.438 1.00 0.00 S ATOM 0 H CYS A 32 -4.184 4.222 5.284 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.918 6.185 3.190 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -5.750 3.355 3.707 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.011 4.469 3.221 1.00 0.00 H new ATOM 448 N PHE A 33 -5.583 6.727 5.923 1.00 0.00 N ATOM 449 CA PHE A 33 -6.371 7.390 6.956 1.00 0.00 C ATOM 450 C PHE A 33 -7.090 6.371 7.834 1.00 0.00 C ATOM 451 O PHE A 33 -7.295 5.225 7.434 1.00 0.00 O ATOM 452 CB PHE A 33 -7.384 8.342 6.319 1.00 0.00 C ATOM 453 CG PHE A 33 -6.803 9.186 5.220 1.00 0.00 C ATOM 454 CD1 PHE A 33 -5.430 9.301 5.068 1.00 0.00 C ATOM 455 CD2 PHE A 33 -7.630 9.865 4.340 1.00 0.00 C ATOM 456 CE1 PHE A 33 -4.894 10.078 4.059 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.100 10.643 3.330 1.00 0.00 C ATOM 458 CZ PHE A 33 -5.730 10.750 3.189 1.00 0.00 C ATOM 0 H PHE A 33 -4.574 6.818 6.039 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.690 7.963 7.586 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.215 7.761 5.920 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.793 8.995 7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.772 8.777 5.746 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.702 9.785 4.445 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.823 10.160 3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.756 11.167 2.651 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.313 11.358 2.400 1.00 0.00 H new ATOM 468 N SER A 34 -7.471 6.797 9.035 1.00 0.00 N ATOM 469 CA SER A 34 -8.166 5.921 9.972 1.00 0.00 C ATOM 470 C SER A 34 -9.428 6.587 10.510 1.00 0.00 C ATOM 471 O SER A 34 -9.995 6.145 11.508 1.00 0.00 O ATOM 472 CB SER A 34 -7.242 5.546 11.131 1.00 0.00 C ATOM 473 OG SER A 34 -7.985 5.108 12.255 1.00 0.00 O ATOM 0 H SER A 34 -7.310 7.743 9.382 1.00 0.00 H new ATOM 0 HA SER A 34 -8.455 5.017 9.437 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.558 4.759 10.814 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.632 6.406 11.407 1.00 0.00 H new ATOM 0 HG SER A 34 -8.905 4.909 11.982 1.00 0.00 H new ATOM 479 N ARG A 35 -9.862 7.651 9.844 1.00 0.00 N ATOM 480 CA ARG A 35 -11.058 8.374 10.258 1.00 0.00 C ATOM 481 C ARG A 35 -11.603 9.223 9.115 1.00 0.00 C ATOM 482 O ARG A 35 -11.084 10.302 8.827 1.00 0.00 O ATOM 483 CB ARG A 35 -10.755 9.260 11.467 1.00 0.00 C ATOM 484 CG ARG A 35 -12.001 9.743 12.192 1.00 0.00 C ATOM 485 CD ARG A 35 -11.650 10.538 13.440 1.00 0.00 C ATOM 486 NE ARG A 35 -11.004 9.709 14.453 1.00 0.00 N ATOM 487 CZ ARG A 35 -11.196 9.855 15.760 1.00 0.00 C ATOM 488 NH1 ARG A 35 -12.012 10.798 16.214 1.00 0.00 N ATOM 489 NH2 ARG A 35 -10.571 9.055 16.614 1.00 0.00 N ATOM 0 H ARG A 35 -9.404 8.032 9.016 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.815 7.641 10.536 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.129 8.705 12.166 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.177 10.124 11.139 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.596 10.362 11.521 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.618 8.887 12.467 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.989 11.362 13.171 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.556 10.979 13.856 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.369 8.975 14.140 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.494 11.414 15.559 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.157 10.907 17.218 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.944 8.329 16.267 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.717 9.166 17.617 1.00 0.00 H new ATOM 503 N ALA A 36 -12.652 8.730 8.466 1.00 0.00 N ATOM 504 CA ALA A 36 -13.267 9.444 7.354 1.00 0.00 C ATOM 505 C ALA A 36 -14.700 8.975 7.130 1.00 0.00 C ATOM 506 O ALA A 36 -14.931 7.883 6.611 1.00 0.00 O ATOM 507 CB ALA A 36 -12.444 9.260 6.087 1.00 0.00 C ATOM 0 H ALA A 36 -13.094 7.839 8.691 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.293 10.505 7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.916 9.799 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.438 9.649 6.247 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.388 8.200 5.841 1.00 0.00 H new ATOM 513 N TYR A 37 -15.658 9.807 7.527 1.00 0.00 N ATOM 514 CA TYR A 37 -17.071 9.478 7.372 1.00 0.00 C ATOM 515 C TYR A 37 -17.482 8.379 8.348 1.00 0.00 C ATOM 516 O TYR A 37 -17.384 7.191 8.039 1.00 0.00 O ATOM 517 CB TYR A 37 -17.359 9.036 5.937 1.00 0.00 C ATOM 518 CG TYR A 37 -18.815 8.717 5.680 1.00 0.00 C ATOM 519 CD1 TYR A 37 -19.817 9.607 6.049 1.00 0.00 C ATOM 520 CD2 TYR A 37 -19.186 7.527 5.068 1.00 0.00 C ATOM 521 CE1 TYR A 37 -21.149 9.317 5.815 1.00 0.00 C ATOM 522 CE2 TYR A 37 -20.515 7.231 4.830 1.00 0.00 C ATOM 523 CZ TYR A 37 -21.492 8.129 5.205 1.00 0.00 C ATOM 524 OH TYR A 37 -22.816 7.837 4.970 1.00 0.00 O ATOM 0 H TYR A 37 -15.482 10.714 7.959 1.00 0.00 H new ATOM 0 HA TYR A 37 -17.654 10.372 7.592 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.043 9.824 5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -16.758 8.156 5.710 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -19.551 10.539 6.526 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.424 6.821 4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -21.917 10.018 6.109 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -20.787 6.301 4.353 1.00 0.00 H new ATOM 0 HH TYR A 37 -22.886 6.963 4.532 1.00 0.00 H new ATOM 534 N PRO A 38 -17.948 8.765 9.545 1.00 0.00 N ATOM 535 CA PRO A 38 -18.374 7.819 10.575 1.00 0.00 C ATOM 536 C PRO A 38 -19.239 6.697 10.013 1.00 0.00 C ATOM 537 O PRO A 38 -20.373 6.922 9.592 1.00 0.00 O ATOM 538 CB PRO A 38 -19.181 8.680 11.562 1.00 0.00 C ATOM 539 CG PRO A 38 -19.235 10.055 10.971 1.00 0.00 C ATOM 540 CD PRO A 38 -18.098 10.150 9.994 1.00 0.00 C ATOM 0 HA PRO A 38 -17.522 7.318 11.034 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -20.184 8.276 11.701 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -18.706 8.696 12.543 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -20.189 10.225 10.472 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -19.142 10.814 11.748 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -18.329 10.822 9.167 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -17.189 10.525 10.465 1.00 0.00 H new ATOM 548 N THR A 39 -18.693 5.486 10.018 1.00 0.00 N ATOM 549 CA THR A 39 -19.407 4.317 9.518 1.00 0.00 C ATOM 550 C THR A 39 -18.779 3.034 10.056 1.00 0.00 C ATOM 551 O THR A 39 -17.692 2.640 9.637 1.00 0.00 O ATOM 552 CB THR A 39 -19.405 4.300 7.988 1.00 0.00 C ATOM 553 OG1 THR A 39 -20.440 5.120 7.477 1.00 0.00 O ATOM 554 CG2 THR A 39 -19.587 2.915 7.404 1.00 0.00 C ATOM 0 H THR A 39 -17.754 5.288 10.364 1.00 0.00 H new ATOM 0 HA THR A 39 -20.438 4.374 9.866 1.00 0.00 H new ATOM 0 HB THR A 39 -18.423 4.674 7.696 1.00 0.00 H new ATOM 0 HG1 THR A 39 -20.613 5.856 8.101 1.00 0.00 H new ATOM 0 HG21 THR A 39 -19.576 2.975 6.316 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.776 2.269 7.740 1.00 0.00 H new ATOM 0 HG23 THR A 39 -20.540 2.503 7.735 1.00 0.00 H new ATOM 562 N PRO A 40 -19.462 2.371 11.000 1.00 0.00 N ATOM 563 CA PRO A 40 -18.983 1.132 11.613 1.00 0.00 C ATOM 564 C PRO A 40 -19.187 -0.082 10.709 1.00 0.00 C ATOM 565 O PRO A 40 -19.210 0.042 9.487 1.00 0.00 O ATOM 566 CB PRO A 40 -19.835 0.995 12.887 1.00 0.00 C ATOM 567 CG PRO A 40 -20.714 2.208 12.940 1.00 0.00 C ATOM 568 CD PRO A 40 -20.753 2.779 11.552 1.00 0.00 C ATOM 0 HA PRO A 40 -17.911 1.171 11.806 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -20.432 0.084 12.859 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -19.203 0.935 13.773 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -21.716 1.944 13.277 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -20.322 2.939 13.647 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -21.585 2.379 10.973 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -20.864 3.863 11.563 1.00 0.00 H new ATOM 576 N LEU A 41 -19.334 -1.253 11.328 1.00 0.00 N ATOM 577 CA LEU A 41 -19.536 -2.508 10.601 1.00 0.00 C ATOM 578 C LEU A 41 -19.855 -2.270 9.126 1.00 0.00 C ATOM 579 O LEU A 41 -21.021 -2.229 8.731 1.00 0.00 O ATOM 580 CB LEU A 41 -20.663 -3.315 11.248 1.00 0.00 C ATOM 581 CG LEU A 41 -20.318 -3.946 12.598 1.00 0.00 C ATOM 582 CD1 LEU A 41 -20.964 -3.165 13.733 1.00 0.00 C ATOM 583 CD2 LEU A 41 -20.760 -5.402 12.632 1.00 0.00 C ATOM 0 H LEU A 41 -19.317 -1.360 12.342 1.00 0.00 H new ATOM 0 HA LEU A 41 -18.603 -3.069 10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -21.526 -2.663 11.380 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -20.963 -4.106 10.561 1.00 0.00 H new ATOM 0 HG LEU A 41 -19.237 -3.911 12.729 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -20.708 -3.628 14.686 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -20.601 -2.137 13.720 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -22.047 -3.169 13.607 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -20.507 -5.836 13.599 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -21.838 -5.459 12.479 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -20.252 -5.955 11.842 1.00 0.00 H new ATOM 595 N ARG A 42 -18.811 -2.121 8.314 1.00 0.00 N ATOM 596 CA ARG A 42 -18.977 -1.897 6.881 1.00 0.00 C ATOM 597 C ARG A 42 -19.039 -3.224 6.130 1.00 0.00 C ATOM 598 O ARG A 42 -18.217 -4.113 6.356 1.00 0.00 O ATOM 599 CB ARG A 42 -17.826 -1.044 6.337 1.00 0.00 C ATOM 600 CG ARG A 42 -17.452 0.126 7.233 1.00 0.00 C ATOM 601 CD ARG A 42 -16.961 1.312 6.420 1.00 0.00 C ATOM 602 NE ARG A 42 -16.068 0.901 5.340 1.00 0.00 N ATOM 603 CZ ARG A 42 -14.749 1.079 5.359 1.00 0.00 C ATOM 604 NH1 ARG A 42 -14.168 1.668 6.396 1.00 0.00 N ATOM 605 NH2 ARG A 42 -14.010 0.671 4.336 1.00 0.00 N ATOM 0 H ARG A 42 -17.840 -2.151 8.625 1.00 0.00 H new ATOM 0 HA ARG A 42 -19.916 -1.366 6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.950 -1.678 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -18.102 -0.663 5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -18.317 0.423 7.826 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.676 -0.183 7.933 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -17.816 1.844 6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.440 2.010 7.075 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.480 0.451 4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.732 1.987 7.184 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.157 1.802 6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.452 0.221 3.535 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.999 0.807 4.351 1.00 0.00 H new ATOM 619 N SER A 43 -20.016 -3.354 5.237 1.00 0.00 N ATOM 620 CA SER A 43 -20.179 -4.579 4.456 1.00 0.00 C ATOM 621 C SER A 43 -21.100 -4.355 3.259 1.00 0.00 C ATOM 622 O SER A 43 -22.072 -5.087 3.069 1.00 0.00 O ATOM 623 CB SER A 43 -20.740 -5.700 5.334 1.00 0.00 C ATOM 624 OG SER A 43 -20.639 -5.373 6.709 1.00 0.00 O ATOM 0 H SER A 43 -20.705 -2.630 5.036 1.00 0.00 H new ATOM 0 HA SER A 43 -19.196 -4.868 4.085 1.00 0.00 H new ATOM 0 HB2 SER A 43 -21.784 -5.880 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 43 -20.199 -6.625 5.137 1.00 0.00 H new ATOM 0 HG SER A 43 -21.006 -6.105 7.247 1.00 0.00 H new ATOM 630 N LYS A 44 -20.787 -3.347 2.453 1.00 0.00 N ATOM 631 CA LYS A 44 -21.590 -3.037 1.273 1.00 0.00 C ATOM 632 C LYS A 44 -20.706 -2.594 0.112 1.00 0.00 C ATOM 633 O LYS A 44 -20.814 -1.465 -0.366 1.00 0.00 O ATOM 634 CB LYS A 44 -22.611 -1.944 1.591 1.00 0.00 C ATOM 635 CG LYS A 44 -22.778 -1.668 3.076 1.00 0.00 C ATOM 636 CD LYS A 44 -24.209 -1.276 3.410 1.00 0.00 C ATOM 637 CE LYS A 44 -25.016 -2.471 3.889 1.00 0.00 C ATOM 638 NZ LYS A 44 -26.211 -2.057 4.676 1.00 0.00 N ATOM 0 H LYS A 44 -19.986 -2.731 2.593 1.00 0.00 H new ATOM 0 HA LYS A 44 -22.119 -3.945 0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -22.309 -1.023 1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -23.577 -2.231 1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -22.500 -2.554 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -22.100 -0.869 3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -24.206 -0.505 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -24.684 -0.844 2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -25.334 -3.062 3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -24.384 -3.114 4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -26.734 -2.902 4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -25.907 -1.515 5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -26.828 -1.465 4.084 1.00 0.00 H new ATOM 652 N LYS A 45 -19.835 -3.489 -0.339 1.00 0.00 N ATOM 653 CA LYS A 45 -18.934 -3.186 -1.445 1.00 0.00 C ATOM 654 C LYS A 45 -19.694 -2.607 -2.635 1.00 0.00 C ATOM 655 O LYS A 45 -20.925 -2.588 -2.650 1.00 0.00 O ATOM 656 CB LYS A 45 -18.178 -4.445 -1.874 1.00 0.00 C ATOM 657 CG LYS A 45 -16.682 -4.376 -1.615 1.00 0.00 C ATOM 658 CD LYS A 45 -15.887 -4.885 -2.808 1.00 0.00 C ATOM 659 CE LYS A 45 -14.771 -3.925 -3.187 1.00 0.00 C ATOM 660 NZ LYS A 45 -13.439 -4.592 -3.185 1.00 0.00 N ATOM 0 H LYS A 45 -19.733 -4.429 0.043 1.00 0.00 H new ATOM 0 HA LYS A 45 -18.220 -2.438 -1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.590 -5.304 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.346 -4.615 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.396 -3.347 -1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.436 -4.968 -0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.464 -5.862 -2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.554 -5.022 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.968 -3.511 -4.176 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.759 -3.088 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.706 -3.903 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.239 -4.965 -2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.441 -5.374 -3.870 1.00 0.00 H new ATOM 674 N THR A 46 -18.947 -2.138 -3.630 1.00 0.00 N ATOM 675 CA THR A 46 -19.536 -1.557 -4.832 1.00 0.00 C ATOM 676 C THR A 46 -18.489 -1.424 -5.934 1.00 0.00 C ATOM 677 O THR A 46 -17.760 -0.433 -5.997 1.00 0.00 O ATOM 678 CB THR A 46 -20.142 -0.188 -4.520 1.00 0.00 C ATOM 679 OG1 THR A 46 -20.170 0.624 -5.681 1.00 0.00 O ATOM 680 CG2 THR A 46 -19.389 0.569 -3.448 1.00 0.00 C ATOM 0 H THR A 46 -17.927 -2.149 -3.627 1.00 0.00 H new ATOM 0 HA THR A 46 -20.326 -2.222 -5.180 1.00 0.00 H new ATOM 0 HB THR A 46 -21.149 -0.393 -4.157 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.254 0.789 -5.987 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.871 1.531 -3.275 1.00 0.00 H new ATOM 0 HG22 THR A 46 -19.392 -0.009 -2.524 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.361 0.731 -3.771 1.00 0.00 H new ATOM 688 N MET A 47 -18.417 -2.432 -6.795 1.00 0.00 N ATOM 689 CA MET A 47 -17.456 -2.439 -7.891 1.00 0.00 C ATOM 690 C MET A 47 -17.616 -1.210 -8.780 1.00 0.00 C ATOM 691 O MET A 47 -18.597 -1.082 -9.513 1.00 0.00 O ATOM 692 CB MET A 47 -17.619 -3.710 -8.726 1.00 0.00 C ATOM 693 CG MET A 47 -16.493 -3.933 -9.721 1.00 0.00 C ATOM 694 SD MET A 47 -14.870 -3.568 -9.026 1.00 0.00 S ATOM 695 CE MET A 47 -14.046 -5.142 -9.253 1.00 0.00 C ATOM 0 H MET A 47 -19.015 -3.258 -6.755 1.00 0.00 H new ATOM 0 HA MET A 47 -16.456 -2.416 -7.458 1.00 0.00 H new ATOM 0 HB2 MET A 47 -17.677 -4.569 -8.057 1.00 0.00 H new ATOM 0 HB3 MET A 47 -18.565 -3.661 -9.265 1.00 0.00 H new ATOM 0 HG2 MET A 47 -16.514 -4.968 -10.061 1.00 0.00 H new ATOM 0 HG3 MET A 47 -16.658 -3.306 -10.597 1.00 0.00 H new ATOM 0 HE1 MET A 47 -13.027 -5.078 -8.871 1.00 0.00 H new ATOM 0 HE2 MET A 47 -14.588 -5.918 -8.712 1.00 0.00 H new ATOM 0 HE3 MET A 47 -14.021 -5.390 -10.314 1.00 0.00 H new ATOM 705 N LEU A 48 -16.638 -0.312 -8.714 1.00 0.00 N ATOM 706 CA LEU A 48 -16.658 0.905 -9.515 1.00 0.00 C ATOM 707 C LEU A 48 -15.915 0.692 -10.831 1.00 0.00 C ATOM 708 O LEU A 48 -15.551 -0.433 -11.172 1.00 0.00 O ATOM 709 CB LEU A 48 -16.021 2.060 -8.738 1.00 0.00 C ATOM 710 CG LEU A 48 -17.004 3.105 -8.206 1.00 0.00 C ATOM 711 CD1 LEU A 48 -16.308 4.057 -7.247 1.00 0.00 C ATOM 712 CD2 LEU A 48 -17.635 3.872 -9.358 1.00 0.00 C ATOM 0 H LEU A 48 -15.820 -0.406 -8.112 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.696 1.154 -9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.463 1.648 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.300 2.559 -9.385 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.794 2.589 -7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.024 4.792 -6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.903 3.494 -6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.497 4.568 -7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.332 4.612 -8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.856 4.376 -9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -18.170 3.179 -10.007 1.00 0.00 H new ATOM 724 N VAL A 49 -15.690 1.777 -11.565 1.00 0.00 N ATOM 725 CA VAL A 49 -14.984 1.704 -12.840 1.00 0.00 C ATOM 726 C VAL A 49 -14.518 3.084 -13.289 1.00 0.00 C ATOM 727 O VAL A 49 -14.799 4.086 -12.632 1.00 0.00 O ATOM 728 CB VAL A 49 -15.869 1.094 -13.943 1.00 0.00 C ATOM 729 CG1 VAL A 49 -15.884 -0.424 -13.838 1.00 0.00 C ATOM 730 CG2 VAL A 49 -17.280 1.657 -13.865 1.00 0.00 C ATOM 0 H VAL A 49 -15.986 2.716 -11.300 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.118 1.061 -12.682 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.449 1.362 -14.912 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.514 -0.837 -14.625 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.869 -0.806 -13.948 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.279 -0.718 -12.865 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -17.892 1.215 -14.651 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.713 1.421 -12.893 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.248 2.739 -13.995 1.00 0.00 H new ATOM 740 N GLN A 50 -13.808 3.128 -14.414 1.00 0.00 N ATOM 741 CA GLN A 50 -13.304 4.386 -14.957 1.00 0.00 C ATOM 742 C GLN A 50 -12.988 5.375 -13.841 1.00 0.00 C ATOM 743 O GLN A 50 -13.878 6.059 -13.334 1.00 0.00 O ATOM 744 CB GLN A 50 -14.325 4.998 -15.920 1.00 0.00 C ATOM 745 CG GLN A 50 -15.742 4.489 -15.716 1.00 0.00 C ATOM 746 CD GLN A 50 -16.019 3.216 -16.494 1.00 0.00 C ATOM 747 OE1 GLN A 50 -15.105 2.450 -16.796 1.00 0.00 O ATOM 748 NE2 GLN A 50 -17.285 2.984 -16.822 1.00 0.00 N ATOM 0 H GLN A 50 -13.569 2.305 -14.968 1.00 0.00 H new ATOM 0 HA GLN A 50 -12.384 4.172 -15.500 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -14.318 6.082 -15.802 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -14.017 4.787 -16.944 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.910 4.306 -14.655 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -16.449 5.260 -16.023 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -18.012 3.646 -16.551 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -17.531 2.143 -17.345 1.00 0.00 H new ATOM 757 N LYS A 51 -11.718 5.445 -13.462 1.00 0.00 N ATOM 758 CA LYS A 51 -11.291 6.350 -12.404 1.00 0.00 C ATOM 759 C LYS A 51 -11.682 5.794 -11.039 1.00 0.00 C ATOM 760 O LYS A 51 -12.749 6.110 -10.512 1.00 0.00 O ATOM 761 CB LYS A 51 -11.918 7.729 -12.608 1.00 0.00 C ATOM 762 CG LYS A 51 -11.226 8.835 -11.831 1.00 0.00 C ATOM 763 CD LYS A 51 -11.419 10.187 -12.500 1.00 0.00 C ATOM 764 CE LYS A 51 -12.447 11.032 -11.764 1.00 0.00 C ATOM 765 NZ LYS A 51 -12.100 11.203 -10.326 1.00 0.00 N ATOM 0 H LYS A 51 -10.968 4.887 -13.871 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.206 6.445 -12.444 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.896 7.975 -13.670 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.966 7.689 -12.311 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.621 8.870 -10.816 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.161 8.615 -11.752 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.467 10.717 -12.533 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.738 10.041 -13.532 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.519 12.011 -12.239 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.428 10.564 -11.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.419 12.138 -10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.569 10.463 -9.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.070 11.127 -10.206 1.00 0.00 H new ATOM 779 N ASN A 52 -10.817 4.957 -10.477 1.00 0.00 N ATOM 780 CA ASN A 52 -11.076 4.347 -9.178 1.00 0.00 C ATOM 781 C ASN A 52 -10.687 5.285 -8.040 1.00 0.00 C ATOM 782 O ASN A 52 -10.041 6.310 -8.260 1.00 0.00 O ATOM 783 CB ASN A 52 -10.314 3.027 -9.056 1.00 0.00 C ATOM 784 CG ASN A 52 -8.832 3.187 -9.332 1.00 0.00 C ATOM 785 OD1 ASN A 52 -8.257 4.249 -9.099 1.00 0.00 O ATOM 786 ND2 ASN A 52 -8.205 2.128 -9.832 1.00 0.00 N ATOM 0 H ASN A 52 -9.930 4.685 -10.901 1.00 0.00 H new ATOM 0 HA ASN A 52 -12.146 4.152 -9.103 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.452 2.622 -8.053 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.734 2.302 -9.753 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.207 2.176 -10.038 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.721 1.267 -10.010 1.00 0.00 H new ATOM 793 N VAL A 53 -11.088 4.931 -6.823 1.00 0.00 N ATOM 794 CA VAL A 53 -10.784 5.744 -5.654 1.00 0.00 C ATOM 795 C VAL A 53 -10.914 4.933 -4.370 1.00 0.00 C ATOM 796 O VAL A 53 -11.077 3.713 -4.407 1.00 0.00 O ATOM 797 CB VAL A 53 -11.713 6.970 -5.570 1.00 0.00 C ATOM 798 CG1 VAL A 53 -11.687 7.747 -6.878 1.00 0.00 C ATOM 799 CG2 VAL A 53 -13.132 6.544 -5.222 1.00 0.00 C ATOM 0 H VAL A 53 -11.624 4.087 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.754 6.082 -5.762 1.00 0.00 H new ATOM 0 HB VAL A 53 -11.352 7.624 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.349 8.610 -6.802 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.671 8.086 -7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.023 7.103 -7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -13.773 7.424 -5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.508 5.868 -5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -13.133 6.034 -4.259 1.00 0.00 H new ATOM 809 N THR A 54 -10.842 5.620 -3.235 1.00 0.00 N ATOM 810 CA THR A 54 -10.952 4.970 -1.935 1.00 0.00 C ATOM 811 C THR A 54 -11.646 5.890 -0.935 1.00 0.00 C ATOM 812 O THR A 54 -12.328 6.839 -1.322 1.00 0.00 O ATOM 813 CB THR A 54 -9.566 4.578 -1.418 1.00 0.00 C ATOM 814 OG1 THR A 54 -8.797 5.728 -1.115 1.00 0.00 O ATOM 815 CG2 THR A 54 -8.774 3.743 -2.403 1.00 0.00 C ATOM 0 H THR A 54 -10.708 6.630 -3.190 1.00 0.00 H new ATOM 0 HA THR A 54 -11.551 4.067 -2.050 1.00 0.00 H new ATOM 0 HB THR A 54 -9.751 3.981 -0.525 1.00 0.00 H new ATOM 0 HG1 THR A 54 -7.916 5.455 -0.785 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.802 3.500 -1.974 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.316 2.822 -2.618 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.633 4.305 -3.326 1.00 0.00 H new ATOM 823 N SER A 55 -11.470 5.607 0.352 1.00 0.00 N ATOM 824 CA SER A 55 -12.084 6.417 1.397 1.00 0.00 C ATOM 825 C SER A 55 -11.173 6.517 2.618 1.00 0.00 C ATOM 826 O SER A 55 -10.504 7.530 2.821 1.00 0.00 O ATOM 827 CB SER A 55 -13.440 5.832 1.799 1.00 0.00 C ATOM 828 OG SER A 55 -14.195 6.769 2.547 1.00 0.00 O ATOM 0 H SER A 55 -10.910 4.826 0.695 1.00 0.00 H new ATOM 0 HA SER A 55 -12.236 7.421 0.999 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.994 5.543 0.906 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.290 4.927 2.388 1.00 0.00 H new ATOM 0 HG SER A 55 -15.058 6.374 2.791 1.00 0.00 H new ATOM 834 N GLU A 56 -11.148 5.462 3.427 1.00 0.00 N ATOM 835 CA GLU A 56 -10.315 5.441 4.624 1.00 0.00 C ATOM 836 C GLU A 56 -9.786 4.038 4.901 1.00 0.00 C ATOM 837 O GLU A 56 -9.809 3.169 4.030 1.00 0.00 O ATOM 838 CB GLU A 56 -11.107 5.947 5.835 1.00 0.00 C ATOM 839 CG GLU A 56 -11.766 4.839 6.644 1.00 0.00 C ATOM 840 CD GLU A 56 -13.013 5.306 7.368 1.00 0.00 C ATOM 841 OE1 GLU A 56 -13.183 6.533 7.528 1.00 0.00 O ATOM 842 OE2 GLU A 56 -13.820 4.444 7.776 1.00 0.00 O ATOM 0 H GLU A 56 -11.693 4.613 3.276 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.465 6.101 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.438 6.510 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.875 6.640 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.024 4.014 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.052 4.452 7.371 1.00 0.00 H new ATOM 849 N SER A 57 -9.310 3.832 6.126 1.00 0.00 N ATOM 850 CA SER A 57 -8.770 2.542 6.541 1.00 0.00 C ATOM 851 C SER A 57 -8.186 1.780 5.356 1.00 0.00 C ATOM 852 O SER A 57 -7.188 2.201 4.770 1.00 0.00 O ATOM 853 CB SER A 57 -9.854 1.710 7.228 1.00 0.00 C ATOM 854 OG SER A 57 -9.465 0.351 7.327 1.00 0.00 O ATOM 0 H SER A 57 -9.288 4.548 6.852 1.00 0.00 H new ATOM 0 HA SER A 57 -7.963 2.727 7.251 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.048 2.110 8.223 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.785 1.785 6.667 1.00 0.00 H new ATOM 0 HG SER A 57 -10.173 -0.160 7.771 1.00 0.00 H new ATOM 860 N THR A 58 -8.804 0.655 5.004 1.00 0.00 N ATOM 861 CA THR A 58 -8.324 -0.151 3.891 1.00 0.00 C ATOM 862 C THR A 58 -6.845 -0.475 4.076 1.00 0.00 C ATOM 863 O THR A 58 -6.335 -0.462 5.196 1.00 0.00 O ATOM 864 CB THR A 58 -8.539 0.593 2.571 1.00 0.00 C ATOM 865 OG1 THR A 58 -7.687 1.722 2.489 1.00 0.00 O ATOM 866 CG2 THR A 58 -9.962 1.074 2.381 1.00 0.00 C ATOM 0 H THR A 58 -9.632 0.285 5.471 1.00 0.00 H new ATOM 0 HA THR A 58 -8.887 -1.084 3.865 1.00 0.00 H new ATOM 0 HB THR A 58 -8.311 -0.131 1.789 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.841 1.464 2.066 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.046 1.593 1.426 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.639 0.220 2.391 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.227 1.756 3.189 1.00 0.00 H new ATOM 874 N CYS A 59 -6.157 -0.758 2.976 1.00 0.00 N ATOM 875 CA CYS A 59 -4.735 -1.074 3.030 1.00 0.00 C ATOM 876 C CYS A 59 -4.179 -1.335 1.636 1.00 0.00 C ATOM 877 O CYS A 59 -4.861 -1.897 0.779 1.00 0.00 O ATOM 878 CB CYS A 59 -4.484 -2.282 3.934 1.00 0.00 C ATOM 879 SG CYS A 59 -3.942 -1.836 5.617 1.00 0.00 S ATOM 0 H CYS A 59 -6.559 -0.775 2.039 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.217 -0.211 3.449 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.398 -2.872 4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.727 -2.918 3.474 1.00 0.00 H new ATOM 884 N CYS A 60 -2.937 -0.920 1.417 1.00 0.00 N ATOM 885 CA CYS A 60 -2.285 -1.101 0.125 1.00 0.00 C ATOM 886 C CYS A 60 -1.727 -2.514 -0.017 1.00 0.00 C ATOM 887 O CYS A 60 -1.689 -3.281 0.947 1.00 0.00 O ATOM 888 CB CYS A 60 -1.158 -0.080 -0.052 1.00 0.00 C ATOM 889 SG CYS A 60 -1.269 1.360 1.060 1.00 0.00 S ATOM 0 H CYS A 60 -2.360 -0.455 2.118 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.035 -0.946 -0.651 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.203 -0.579 0.113 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.161 0.271 -1.084 1.00 0.00 H new ATOM 894 N VAL A 61 -1.290 -2.845 -1.227 1.00 0.00 N ATOM 895 CA VAL A 61 -0.722 -4.159 -1.516 1.00 0.00 C ATOM 896 C VAL A 61 -0.370 -4.278 -2.994 1.00 0.00 C ATOM 897 O VAL A 61 -0.761 -5.233 -3.664 1.00 0.00 O ATOM 898 CB VAL A 61 -1.684 -5.301 -1.129 1.00 0.00 C ATOM 899 CG1 VAL A 61 -1.213 -5.985 0.145 1.00 0.00 C ATOM 900 CG2 VAL A 61 -3.105 -4.779 -0.971 1.00 0.00 C ATOM 0 H VAL A 61 -1.318 -2.217 -2.030 1.00 0.00 H new ATOM 0 HA VAL A 61 0.182 -4.253 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.684 -6.038 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.903 -6.788 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.217 -6.399 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.181 -5.259 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.766 -5.601 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.129 -4.019 -0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.439 -4.342 -1.912 1.00 0.00 H new ATOM 910 N ALA A 62 0.377 -3.294 -3.484 1.00 0.00 N ATOM 911 CA ALA A 62 0.804 -3.253 -4.879 1.00 0.00 C ATOM 912 C ALA A 62 -0.155 -4.006 -5.802 1.00 0.00 C ATOM 913 O ALA A 62 -0.155 -5.236 -5.847 1.00 0.00 O ATOM 914 CB ALA A 62 2.214 -3.807 -5.014 1.00 0.00 C ATOM 0 H ALA A 62 0.703 -2.504 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 62 0.795 -2.208 -5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.521 -3.771 -6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.899 -3.208 -4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.234 -4.840 -4.666 1.00 0.00 H new ATOM 920 N LYS A 63 -0.948 -3.253 -6.561 1.00 0.00 N ATOM 921 CA LYS A 63 -1.885 -3.834 -7.506 1.00 0.00 C ATOM 922 C LYS A 63 -1.137 -4.786 -8.417 1.00 0.00 C ATOM 923 O LYS A 63 -1.629 -5.853 -8.780 1.00 0.00 O ATOM 924 CB LYS A 63 -2.542 -2.726 -8.329 1.00 0.00 C ATOM 925 CG LYS A 63 -3.693 -3.204 -9.196 1.00 0.00 C ATOM 926 CD LYS A 63 -4.089 -2.151 -10.219 1.00 0.00 C ATOM 927 CE LYS A 63 -4.798 -0.976 -9.567 1.00 0.00 C ATOM 928 NZ LYS A 63 -5.580 -0.183 -10.554 1.00 0.00 N ATOM 0 H LYS A 63 -0.956 -2.233 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.662 -4.378 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.906 -1.952 -7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.788 -2.264 -8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.408 -4.123 -9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.550 -3.443 -8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.200 -1.796 -10.740 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.740 -2.599 -10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.464 -1.342 -8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.064 -0.332 -9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.821 0.742 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.012 -0.042 -11.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.453 -0.693 -10.795 1.00 0.00 H new ATOM 942 N SER A 64 0.077 -4.380 -8.756 1.00 0.00 N ATOM 943 CA SER A 64 0.954 -5.170 -9.601 1.00 0.00 C ATOM 944 C SER A 64 2.391 -4.992 -9.144 1.00 0.00 C ATOM 945 O SER A 64 2.923 -3.883 -9.143 1.00 0.00 O ATOM 946 CB SER A 64 0.810 -4.766 -11.066 1.00 0.00 C ATOM 947 OG SER A 64 -0.144 -5.578 -11.729 1.00 0.00 O ATOM 0 H SER A 64 0.480 -3.494 -8.452 1.00 0.00 H new ATOM 0 HA SER A 64 0.673 -6.220 -9.514 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.509 -3.720 -11.130 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.775 -4.851 -11.566 1.00 0.00 H new ATOM 0 HG SER A 64 -0.218 -5.297 -12.665 1.00 0.00 H new ATOM 953 N TYR A 65 3.002 -6.088 -8.730 1.00 0.00 N ATOM 954 CA TYR A 65 4.371 -6.057 -8.237 1.00 0.00 C ATOM 955 C TYR A 65 5.348 -6.620 -9.244 1.00 0.00 C ATOM 956 O TYR A 65 5.009 -7.513 -10.021 1.00 0.00 O ATOM 957 CB TYR A 65 4.485 -6.875 -6.954 1.00 0.00 C ATOM 958 CG TYR A 65 3.679 -8.154 -6.969 1.00 0.00 C ATOM 959 CD1 TYR A 65 4.049 -9.222 -7.778 1.00 0.00 C ATOM 960 CD2 TYR A 65 2.554 -8.295 -6.169 1.00 0.00 C ATOM 961 CE1 TYR A 65 3.315 -10.394 -7.790 1.00 0.00 C ATOM 962 CE2 TYR A 65 1.816 -9.463 -6.175 1.00 0.00 C ATOM 963 CZ TYR A 65 2.200 -10.509 -6.986 1.00 0.00 C ATOM 964 OH TYR A 65 1.466 -11.672 -6.995 1.00 0.00 O ATOM 0 H TYR A 65 2.572 -7.013 -8.725 1.00 0.00 H new ATOM 0 HA TYR A 65 4.618 -5.011 -8.053 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.533 -7.120 -6.783 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.159 -6.262 -6.114 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.923 -9.135 -8.407 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.250 -7.478 -5.531 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.613 -11.215 -8.425 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.942 -9.556 -5.547 1.00 0.00 H new ATOM 0 HH TYR A 65 0.714 -11.589 -6.372 1.00 0.00 H new ATOM 974 N ASN A 66 6.584 -6.142 -9.187 1.00 0.00 N ATOM 975 CA ASN A 66 7.615 -6.670 -10.066 1.00 0.00 C ATOM 976 C ASN A 66 8.717 -7.224 -9.199 1.00 0.00 C ATOM 977 O ASN A 66 9.887 -7.290 -9.574 1.00 0.00 O ATOM 978 CB ASN A 66 8.143 -5.604 -11.018 1.00 0.00 C ATOM 979 CG ASN A 66 8.432 -6.150 -12.403 1.00 0.00 C ATOM 980 OD1 ASN A 66 8.139 -5.505 -13.411 1.00 0.00 O ATOM 981 ND2 ASN A 66 9.011 -7.344 -12.461 1.00 0.00 N ATOM 0 H ASN A 66 6.892 -5.404 -8.554 1.00 0.00 H new ATOM 0 HA ASN A 66 7.198 -7.457 -10.694 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.414 -4.797 -11.094 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.054 -5.172 -10.604 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.230 -7.761 -13.366 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.237 -7.844 -11.601 1.00 0.00 H new ATOM 988 N ARG A 67 8.279 -7.599 -8.016 1.00 0.00 N ATOM 989 CA ARG A 67 9.131 -8.154 -6.974 1.00 0.00 C ATOM 990 C ARG A 67 10.544 -8.394 -7.467 1.00 0.00 C ATOM 991 O ARG A 67 10.796 -9.253 -8.311 1.00 0.00 O ATOM 992 CB ARG A 67 8.544 -9.454 -6.449 1.00 0.00 C ATOM 993 CG ARG A 67 8.031 -10.337 -7.555 1.00 0.00 C ATOM 994 CD ARG A 67 8.320 -11.804 -7.282 1.00 0.00 C ATOM 995 NE ARG A 67 7.188 -12.661 -7.622 1.00 0.00 N ATOM 996 CZ ARG A 67 6.359 -13.187 -6.725 1.00 0.00 C ATOM 997 NH1 ARG A 67 6.524 -12.943 -5.430 1.00 0.00 N ATOM 998 NH2 ARG A 67 5.361 -13.962 -7.124 1.00 0.00 N ATOM 0 H ARG A 67 7.299 -7.527 -7.741 1.00 0.00 H new ATOM 0 HA ARG A 67 9.176 -7.421 -6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.305 -9.991 -5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.731 -9.230 -5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.957 -10.192 -7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.492 -10.044 -8.498 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.193 -12.114 -7.856 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.569 -11.934 -6.229 1.00 0.00 H new ATOM 0 HE ARG A 67 7.023 -12.869 -8.607 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.291 -12.348 -5.117 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.884 -13.350 -4.749 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.230 -14.154 -8.117 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.724 -14.367 -6.438 1.00 0.00 H new ATOM 1012 N VAL A 68 11.454 -7.635 -6.903 1.00 0.00 N ATOM 1013 CA VAL A 68 12.866 -7.742 -7.227 1.00 0.00 C ATOM 1014 C VAL A 68 13.621 -8.247 -6.012 1.00 0.00 C ATOM 1015 O VAL A 68 14.677 -7.725 -5.656 1.00 0.00 O ATOM 1016 CB VAL A 68 13.461 -6.387 -7.676 1.00 0.00 C ATOM 1017 CG1 VAL A 68 12.566 -5.710 -8.707 1.00 0.00 C ATOM 1018 CG2 VAL A 68 13.679 -5.468 -6.480 1.00 0.00 C ATOM 0 H VAL A 68 11.240 -6.923 -6.205 1.00 0.00 H new ATOM 0 HA VAL A 68 12.967 -8.440 -8.058 1.00 0.00 H new ATOM 0 HB VAL A 68 14.427 -6.586 -8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.009 -4.759 -9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.466 -6.354 -9.581 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.582 -5.532 -8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.098 -4.521 -6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.726 -5.285 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.369 -5.939 -5.780 1.00 0.00 H new ATOM 1028 N THR A 69 13.042 -9.255 -5.367 1.00 0.00 N ATOM 1029 CA THR A 69 13.618 -9.835 -4.161 1.00 0.00 C ATOM 1030 C THR A 69 15.092 -9.503 -4.034 1.00 0.00 C ATOM 1031 O THR A 69 15.904 -9.880 -4.878 1.00 0.00 O ATOM 1032 CB THR A 69 13.436 -11.346 -4.108 1.00 0.00 C ATOM 1033 OG1 THR A 69 12.063 -11.692 -4.059 1.00 0.00 O ATOM 1034 CG2 THR A 69 14.114 -11.953 -2.899 1.00 0.00 C ATOM 0 H THR A 69 12.168 -9.689 -5.663 1.00 0.00 H new ATOM 0 HA THR A 69 13.078 -9.392 -3.324 1.00 0.00 H new ATOM 0 HB THR A 69 13.892 -11.740 -5.016 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.972 -12.667 -4.027 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.960 -13.032 -2.899 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.182 -11.739 -2.935 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.689 -11.526 -1.991 1.00 0.00 H new ATOM 1042 N VAL A 70 15.426 -8.792 -2.973 1.00 0.00 N ATOM 1043 CA VAL A 70 16.799 -8.398 -2.727 1.00 0.00 C ATOM 1044 C VAL A 70 17.323 -8.965 -1.426 1.00 0.00 C ATOM 1045 O VAL A 70 16.687 -9.797 -0.780 1.00 0.00 O ATOM 1046 CB VAL A 70 16.954 -6.871 -2.682 1.00 0.00 C ATOM 1047 CG1 VAL A 70 18.170 -6.435 -3.484 1.00 0.00 C ATOM 1048 CG2 VAL A 70 15.692 -6.183 -3.186 1.00 0.00 C ATOM 0 H VAL A 70 14.762 -8.475 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 70 17.377 -8.800 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 70 17.106 -6.572 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 70 18.264 -5.350 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 70 19.066 -6.894 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 70 18.053 -6.748 -4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 70 15.826 -5.102 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.499 -6.486 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.847 -6.468 -2.559 1.00 0.00 H new ATOM 1058 N MET A 71 18.498 -8.494 -1.060 1.00 0.00 N ATOM 1059 CA MET A 71 19.156 -8.919 0.155 1.00 0.00 C ATOM 1060 C MET A 71 18.876 -10.381 0.458 1.00 0.00 C ATOM 1061 O MET A 71 18.944 -11.236 -0.425 1.00 0.00 O ATOM 1062 CB MET A 71 18.721 -8.047 1.324 1.00 0.00 C ATOM 1063 CG MET A 71 19.408 -6.709 1.325 1.00 0.00 C ATOM 1064 SD MET A 71 20.171 -6.313 2.909 1.00 0.00 S ATOM 1065 CE MET A 71 19.377 -4.753 3.282 1.00 0.00 C ATOM 0 H MET A 71 19.023 -7.805 -1.599 1.00 0.00 H new ATOM 0 HA MET A 71 20.230 -8.808 0.007 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.642 -7.899 1.282 1.00 0.00 H new ATOM 0 HB3 MET A 71 18.936 -8.564 2.259 1.00 0.00 H new ATOM 0 HG2 MET A 71 20.171 -6.698 0.547 1.00 0.00 H new ATOM 0 HG3 MET A 71 18.684 -5.934 1.073 1.00 0.00 H new ATOM 0 HE1 MET A 71 20.132 -4.019 3.566 1.00 0.00 H new ATOM 0 HE2 MET A 71 18.839 -4.399 2.402 1.00 0.00 H new ATOM 0 HE3 MET A 71 18.676 -4.889 4.105 1.00 0.00 H new ATOM 1075 N GLY A 72 18.565 -10.660 1.715 1.00 0.00 N ATOM 1076 CA GLY A 72 18.283 -12.010 2.119 1.00 0.00 C ATOM 1077 C GLY A 72 16.958 -12.510 1.579 1.00 0.00 C ATOM 1078 O GLY A 72 16.542 -13.631 1.872 1.00 0.00 O ATOM 0 H GLY A 72 18.504 -9.968 2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 72 19.083 -12.664 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 72 18.273 -12.066 3.208 1.00 0.00 H new ATOM 1082 N GLY A 73 16.294 -11.671 0.789 1.00 0.00 N ATOM 1083 CA GLY A 73 15.014 -12.038 0.216 1.00 0.00 C ATOM 1084 C GLY A 73 13.995 -10.917 0.308 1.00 0.00 C ATOM 1085 O GLY A 73 12.790 -11.169 0.358 1.00 0.00 O ATOM 0 H GLY A 73 16.623 -10.739 0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.153 -12.314 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.628 -12.919 0.730 1.00 0.00 H new ATOM 1089 N PHE A 74 14.476 -9.675 0.330 1.00 0.00 N ATOM 1090 CA PHE A 74 13.592 -8.517 0.415 1.00 0.00 C ATOM 1091 C PHE A 74 12.729 -8.408 -0.830 1.00 0.00 C ATOM 1092 O PHE A 74 13.225 -8.126 -1.920 1.00 0.00 O ATOM 1093 CB PHE A 74 14.396 -7.230 0.592 1.00 0.00 C ATOM 1094 CG PHE A 74 14.880 -6.996 1.997 1.00 0.00 C ATOM 1095 CD1 PHE A 74 15.769 -7.875 2.595 1.00 0.00 C ATOM 1096 CD2 PHE A 74 14.449 -5.892 2.717 1.00 0.00 C ATOM 1097 CE1 PHE A 74 16.217 -7.658 3.884 1.00 0.00 C ATOM 1098 CE2 PHE A 74 14.895 -5.671 4.007 1.00 0.00 C ATOM 1099 CZ PHE A 74 15.781 -6.555 4.591 1.00 0.00 C ATOM 0 H PHE A 74 15.469 -9.447 0.290 1.00 0.00 H new ATOM 0 HA PHE A 74 12.949 -8.655 1.284 1.00 0.00 H new ATOM 0 HB2 PHE A 74 15.256 -7.257 -0.077 1.00 0.00 H new ATOM 0 HB3 PHE A 74 13.780 -6.385 0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 74 16.115 -8.739 2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 74 13.757 -5.197 2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 74 16.909 -8.352 4.339 1.00 0.00 H new ATOM 0 HE2 PHE A 74 14.551 -4.808 4.557 1.00 0.00 H new ATOM 0 HZ PHE A 74 16.132 -6.384 5.598 1.00 0.00 H new ATOM 1109 N LYS A 75 11.436 -8.634 -0.660 1.00 0.00 N ATOM 1110 CA LYS A 75 10.497 -8.570 -1.771 1.00 0.00 C ATOM 1111 C LYS A 75 9.769 -7.231 -1.815 1.00 0.00 C ATOM 1112 O LYS A 75 8.836 -6.992 -1.048 1.00 0.00 O ATOM 1113 CB LYS A 75 9.479 -9.709 -1.668 1.00 0.00 C ATOM 1114 CG LYS A 75 10.109 -11.093 -1.622 1.00 0.00 C ATOM 1115 CD LYS A 75 9.269 -12.111 -2.378 1.00 0.00 C ATOM 1116 CE LYS A 75 9.246 -13.457 -1.670 1.00 0.00 C ATOM 1117 NZ LYS A 75 8.850 -13.329 -0.240 1.00 0.00 N ATOM 0 H LYS A 75 11.011 -8.864 0.238 1.00 0.00 H new ATOM 0 HA LYS A 75 11.069 -8.674 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.876 -9.565 -0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.801 -9.657 -2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.110 -11.053 -2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.220 -11.409 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.250 -11.737 -2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.667 -12.236 -3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.550 -14.123 -2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.232 -13.917 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.350 -14.190 0.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.700 -13.201 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.223 -12.507 -0.126 1.00 0.00 H new ATOM 1131 N VAL A 76 10.190 -6.369 -2.736 1.00 0.00 N ATOM 1132 CA VAL A 76 9.567 -5.059 -2.907 1.00 0.00 C ATOM 1133 C VAL A 76 8.428 -5.159 -3.862 1.00 0.00 C ATOM 1134 O VAL A 76 7.922 -4.152 -4.359 1.00 0.00 O ATOM 1135 CB VAL A 76 10.551 -4.039 -3.505 1.00 0.00 C ATOM 1136 CG1 VAL A 76 11.737 -3.835 -2.579 1.00 0.00 C ATOM 1137 CG2 VAL A 76 11.004 -4.572 -4.860 1.00 0.00 C ATOM 0 H VAL A 76 10.962 -6.554 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 76 9.241 -4.733 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 76 10.067 -3.070 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.422 -3.110 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.387 -3.465 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.255 -4.784 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.705 -3.870 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.493 -5.537 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.139 -4.691 -5.512 1.00 0.00 H new ATOM 1147 N GLU A 77 8.065 -6.382 -4.149 1.00 0.00 N ATOM 1148 CA GLU A 77 7.012 -6.636 -5.112 1.00 0.00 C ATOM 1149 C GLU A 77 7.064 -5.502 -6.112 1.00 0.00 C ATOM 1150 O GLU A 77 6.045 -4.982 -6.556 1.00 0.00 O ATOM 1151 CB GLU A 77 5.649 -6.703 -4.417 1.00 0.00 C ATOM 1152 CG GLU A 77 5.721 -6.497 -2.912 1.00 0.00 C ATOM 1153 CD GLU A 77 5.936 -7.792 -2.153 1.00 0.00 C ATOM 1154 OE1 GLU A 77 5.955 -8.861 -2.796 1.00 0.00 O ATOM 1155 OE2 GLU A 77 6.085 -7.736 -0.914 1.00 0.00 O ATOM 0 H GLU A 77 8.477 -7.218 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 77 7.153 -7.595 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.994 -5.946 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.194 -7.672 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.533 -5.807 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.798 -6.029 -2.569 1.00 0.00 H new ATOM 1162 N ASN A 78 8.306 -5.104 -6.401 1.00 0.00 N ATOM 1163 CA ASN A 78 8.602 -3.987 -7.276 1.00 0.00 C ATOM 1164 C ASN A 78 7.300 -3.367 -7.716 1.00 0.00 C ATOM 1165 O ASN A 78 6.894 -3.453 -8.875 1.00 0.00 O ATOM 1166 CB ASN A 78 9.416 -4.431 -8.465 1.00 0.00 C ATOM 1167 CG ASN A 78 9.536 -3.335 -9.484 1.00 0.00 C ATOM 1168 OD1 ASN A 78 8.956 -2.260 -9.332 1.00 0.00 O ATOM 1169 ND2 ASN A 78 10.286 -3.596 -10.530 1.00 0.00 N ATOM 0 H ASN A 78 9.138 -5.559 -6.025 1.00 0.00 H new ATOM 0 HA ASN A 78 9.198 -3.249 -6.738 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.410 -4.734 -8.135 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.951 -5.305 -8.921 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.407 -2.893 -11.259 1.00 0.00 H new ATOM 0 HD22 ASN A 78 10.748 -4.502 -10.613 1.00 0.00 H new ATOM 1176 N HIS A 79 6.618 -2.818 -6.736 1.00 0.00 N ATOM 1177 CA HIS A 79 5.306 -2.251 -6.932 1.00 0.00 C ATOM 1178 C HIS A 79 5.161 -1.451 -8.200 1.00 0.00 C ATOM 1179 O HIS A 79 5.554 -0.290 -8.294 1.00 0.00 O ATOM 1180 CB HIS A 79 4.887 -1.432 -5.729 1.00 0.00 C ATOM 1181 CG HIS A 79 4.844 -2.269 -4.514 1.00 0.00 C ATOM 1182 ND1 HIS A 79 4.459 -1.833 -3.278 1.00 0.00 N ATOM 1183 CD2 HIS A 79 5.178 -3.565 -4.379 1.00 0.00 C ATOM 1184 CE1 HIS A 79 4.578 -2.864 -2.430 1.00 0.00 C ATOM 1185 NE2 HIS A 79 5.009 -3.945 -3.052 1.00 0.00 N ATOM 0 H HIS A 79 6.961 -2.753 -5.777 1.00 0.00 H new ATOM 0 HA HIS A 79 4.634 -3.102 -7.043 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.585 -0.608 -5.584 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.906 -0.991 -5.907 1.00 0.00 H new ATOM 0 HD1 HIS A 79 4.139 -0.893 -3.043 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.523 -4.208 -5.175 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.351 -2.816 -1.375 1.00 0.00 H new ATOM 1193 N THR A 80 4.529 -2.091 -9.153 1.00 0.00 N ATOM 1194 CA THR A 80 4.238 -1.473 -10.432 1.00 0.00 C ATOM 1195 C THR A 80 2.953 -0.669 -10.295 1.00 0.00 C ATOM 1196 O THR A 80 2.689 0.257 -11.062 1.00 0.00 O ATOM 1197 CB THR A 80 4.105 -2.542 -11.512 1.00 0.00 C ATOM 1198 OG1 THR A 80 2.761 -2.962 -11.641 1.00 0.00 O ATOM 1199 CG2 THR A 80 4.944 -3.765 -11.222 1.00 0.00 C ATOM 0 H THR A 80 4.201 -3.053 -9.069 1.00 0.00 H new ATOM 0 HA THR A 80 5.050 -0.808 -10.725 1.00 0.00 H new ATOM 0 HB THR A 80 4.456 -2.079 -12.434 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.547 -3.086 -12.589 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.813 -4.494 -12.021 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.994 -3.480 -11.160 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.631 -4.205 -10.275 1.00 0.00 H new ATOM 1207 N ALA A 81 2.171 -1.035 -9.280 1.00 0.00 N ATOM 1208 CA ALA A 81 0.913 -0.367 -8.978 1.00 0.00 C ATOM 1209 C ALA A 81 0.464 -0.724 -7.565 1.00 0.00 C ATOM 1210 O ALA A 81 0.736 -1.823 -7.091 1.00 0.00 O ATOM 1211 CB ALA A 81 -0.153 -0.756 -9.989 1.00 0.00 C ATOM 0 H ALA A 81 2.395 -1.803 -8.647 1.00 0.00 H new ATOM 0 HA ALA A 81 1.063 0.711 -9.039 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.086 -0.247 -9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.170 -0.466 -10.989 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.309 -1.834 -9.957 1.00 0.00 H new ATOM 1217 N CYS A 82 -0.220 0.200 -6.893 1.00 0.00 N ATOM 1218 CA CYS A 82 -0.698 -0.048 -5.533 1.00 0.00 C ATOM 1219 C CYS A 82 -2.188 0.245 -5.415 1.00 0.00 C ATOM 1220 O CYS A 82 -2.707 1.153 -6.063 1.00 0.00 O ATOM 1221 CB CYS A 82 0.092 0.774 -4.516 1.00 0.00 C ATOM 1222 SG CYS A 82 1.388 -0.190 -3.666 1.00 0.00 S ATOM 0 H CYS A 82 -0.455 1.121 -7.264 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.540 -1.104 -5.314 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.552 1.622 -5.023 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.595 1.180 -3.774 1.00 0.00 H new ATOM 1227 N HIS A 83 -2.873 -0.545 -4.594 1.00 0.00 N ATOM 1228 CA HIS A 83 -4.310 -0.385 -4.401 1.00 0.00 C ATOM 1229 C HIS A 83 -4.702 -0.578 -2.940 1.00 0.00 C ATOM 1230 O HIS A 83 -4.427 -1.620 -2.344 1.00 0.00 O ATOM 1231 CB HIS A 83 -5.064 -1.389 -5.271 1.00 0.00 C ATOM 1232 CG HIS A 83 -4.687 -2.814 -5.000 1.00 0.00 C ATOM 1233 ND1 HIS A 83 -3.476 -3.393 -4.818 1.00 0.00 N flip ATOM 1234 CD2 HIS A 83 -5.614 -3.828 -4.883 1.00 0.00 C flip ATOM 1235 CE1 HIS A 83 -3.691 -4.730 -4.597 1.00 0.00 C flip ATOM 1236 NE2 HIS A 83 -4.989 -4.967 -4.641 1.00 0.00 N flip ATOM 0 H HIS A 83 -2.456 -1.302 -4.052 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.577 0.631 -4.692 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.135 -1.267 -5.108 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -4.874 -1.164 -6.320 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.684 -3.710 -4.975 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.924 -5.468 -4.416 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -5.434 -5.875 -4.510 1.00 0.00 H new ATOM 1245 N CYS A 84 -5.357 0.431 -2.374 1.00 0.00 N ATOM 1246 CA CYS A 84 -5.802 0.379 -0.987 1.00 0.00 C ATOM 1247 C CYS A 84 -7.097 -0.420 -0.867 1.00 0.00 C ATOM 1248 O CYS A 84 -8.121 -0.050 -1.443 1.00 0.00 O ATOM 1249 CB CYS A 84 -6.016 1.794 -0.447 1.00 0.00 C ATOM 1250 SG CYS A 84 -5.285 2.086 1.196 1.00 0.00 S ATOM 0 H CYS A 84 -5.592 1.298 -2.858 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.029 -0.116 -0.399 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.592 2.508 -1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.086 1.993 -0.396 1.00 0.00 H new ATOM 1255 N SER A 85 -7.045 -1.513 -0.114 1.00 0.00 N ATOM 1256 CA SER A 85 -8.214 -2.362 0.083 1.00 0.00 C ATOM 1257 C SER A 85 -7.970 -3.373 1.201 1.00 0.00 C ATOM 1258 O SER A 85 -7.311 -3.064 2.194 1.00 0.00 O ATOM 1259 CB SER A 85 -8.569 -3.086 -1.217 1.00 0.00 C ATOM 1260 OG SER A 85 -9.886 -3.608 -1.167 1.00 0.00 O ATOM 0 H SER A 85 -6.206 -1.832 0.370 1.00 0.00 H new ATOM 0 HA SER A 85 -9.051 -1.727 0.373 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.479 -2.397 -2.057 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.860 -3.895 -1.391 1.00 0.00 H new ATOM 0 HG SER A 85 -10.089 -4.064 -2.010 1.00 0.00 H new ATOM 1266 N THR A 86 -8.506 -4.580 1.032 1.00 0.00 N ATOM 1267 CA THR A 86 -8.350 -5.641 2.025 1.00 0.00 C ATOM 1268 C THR A 86 -7.072 -5.456 2.841 1.00 0.00 C ATOM 1269 O THR A 86 -5.965 -5.590 2.318 1.00 0.00 O ATOM 1270 CB THR A 86 -8.329 -7.004 1.334 1.00 0.00 C ATOM 1271 OG1 THR A 86 -7.538 -7.924 2.066 1.00 0.00 O ATOM 1272 CG2 THR A 86 -7.782 -6.949 -0.077 1.00 0.00 C ATOM 0 H THR A 86 -9.054 -4.848 0.214 1.00 0.00 H new ATOM 0 HA THR A 86 -9.199 -5.590 2.707 1.00 0.00 H new ATOM 0 HB THR A 86 -9.370 -7.325 1.292 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.538 -8.791 1.609 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.794 -7.949 -0.511 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.399 -6.284 -0.681 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.758 -6.575 -0.056 1.00 0.00 H new ATOM 1280 N CYS A 87 -7.234 -5.150 4.124 1.00 0.00 N ATOM 1281 CA CYS A 87 -6.093 -4.948 5.011 1.00 0.00 C ATOM 1282 C CYS A 87 -5.850 -6.179 5.881 1.00 0.00 C ATOM 1283 O CYS A 87 -6.123 -6.165 7.082 1.00 0.00 O ATOM 1284 CB CYS A 87 -6.320 -3.722 5.898 1.00 0.00 C ATOM 1285 SG CYS A 87 -4.842 -3.199 6.826 1.00 0.00 S ATOM 0 H CYS A 87 -8.143 -5.036 4.573 1.00 0.00 H new ATOM 0 HA CYS A 87 -5.211 -4.784 4.392 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.659 -2.893 5.276 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.122 -3.940 6.603 1.00 0.00 H new ATOM 1290 N TYR A 88 -5.333 -7.241 5.269 1.00 0.00 N ATOM 1291 CA TYR A 88 -5.051 -8.480 5.989 1.00 0.00 C ATOM 1292 C TYR A 88 -6.271 -8.946 6.778 1.00 0.00 C ATOM 1293 O TYR A 88 -7.235 -8.199 6.950 1.00 0.00 O ATOM 1294 CB TYR A 88 -3.864 -8.285 6.937 1.00 0.00 C ATOM 1295 CG TYR A 88 -2.789 -9.340 6.790 1.00 0.00 C ATOM 1296 CD1 TYR A 88 -1.901 -9.311 5.721 1.00 0.00 C ATOM 1297 CD2 TYR A 88 -2.660 -10.361 7.722 1.00 0.00 C ATOM 1298 CE1 TYR A 88 -0.917 -10.274 5.584 1.00 0.00 C ATOM 1299 CE2 TYR A 88 -1.679 -11.327 7.592 1.00 0.00 C ATOM 1300 CZ TYR A 88 -0.810 -11.278 6.523 1.00 0.00 C ATOM 1301 OH TYR A 88 0.168 -12.238 6.391 1.00 0.00 O ATOM 0 H TYR A 88 -5.101 -7.269 4.276 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.802 -9.246 5.254 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.425 -7.304 6.758 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.227 -8.289 7.965 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.980 -8.524 4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.337 -10.401 8.562 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.236 -10.239 4.746 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.594 -12.116 8.325 1.00 0.00 H new ATOM 0 HH TYR A 88 0.107 -12.871 7.136 1.00 0.00 H new ATOM 1311 N TYR A 89 -6.222 -10.185 7.258 1.00 0.00 N ATOM 1312 CA TYR A 89 -7.320 -10.748 8.033 1.00 0.00 C ATOM 1313 C TYR A 89 -7.045 -10.617 9.527 1.00 0.00 C ATOM 1314 O TYR A 89 -7.969 -10.523 10.335 1.00 0.00 O ATOM 1315 CB TYR A 89 -7.529 -12.221 7.670 1.00 0.00 C ATOM 1316 CG TYR A 89 -8.942 -12.557 7.241 1.00 0.00 C ATOM 1317 CD1 TYR A 89 -9.999 -11.693 7.504 1.00 0.00 C ATOM 1318 CD2 TYR A 89 -9.217 -13.742 6.568 1.00 0.00 C ATOM 1319 CE1 TYR A 89 -11.288 -12.001 7.110 1.00 0.00 C ATOM 1320 CE2 TYR A 89 -10.504 -14.056 6.172 1.00 0.00 C ATOM 1321 CZ TYR A 89 -11.535 -13.182 6.444 1.00 0.00 C ATOM 1322 OH TYR A 89 -12.817 -13.490 6.048 1.00 0.00 O ATOM 0 H TYR A 89 -5.433 -10.817 7.123 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.226 -10.192 7.793 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.843 -12.487 6.865 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.265 -12.837 8.530 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.810 -10.766 8.025 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.412 -14.429 6.351 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.098 -11.319 7.323 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.701 -14.982 5.652 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.819 -14.357 5.591 1.00 0.00 H new ATOM 1332 N HIS A 90 -5.765 -10.609 9.886 1.00 0.00 N ATOM 1333 CA HIS A 90 -5.358 -10.488 11.281 1.00 0.00 C ATOM 1334 C HIS A 90 -5.877 -9.188 11.891 1.00 0.00 C ATOM 1335 O HIS A 90 -6.719 -8.507 11.306 1.00 0.00 O ATOM 1336 CB HIS A 90 -3.833 -10.533 11.390 1.00 0.00 C ATOM 1337 CG HIS A 90 -3.238 -11.866 11.053 1.00 0.00 C ATOM 1338 ND1 HIS A 90 -3.708 -12.669 10.033 1.00 0.00 N ATOM 1339 CD2 HIS A 90 -2.197 -12.535 11.605 1.00 0.00 C ATOM 1340 CE1 HIS A 90 -2.982 -13.773 9.973 1.00 0.00 C ATOM 1341 NE2 HIS A 90 -2.059 -13.715 10.916 1.00 0.00 N ATOM 0 H HIS A 90 -4.990 -10.685 9.227 1.00 0.00 H new ATOM 0 HA HIS A 90 -5.786 -11.325 11.832 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -3.409 -9.779 10.727 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -3.543 -10.263 12.406 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.589 -12.202 12.433 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -3.120 -14.583 9.273 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.357 -14.431 11.102 1.00 0.00 H new ATOM 1350 N LYS A 91 -5.360 -8.848 13.067 1.00 0.00 N ATOM 1351 CA LYS A 91 -5.757 -7.628 13.760 1.00 0.00 C ATOM 1352 C LYS A 91 -4.542 -6.960 14.392 1.00 0.00 C ATOM 1353 O LYS A 91 -4.345 -7.025 15.607 1.00 0.00 O ATOM 1354 CB LYS A 91 -6.800 -7.934 14.837 1.00 0.00 C ATOM 1355 CG LYS A 91 -7.538 -9.244 14.617 1.00 0.00 C ATOM 1356 CD LYS A 91 -7.069 -10.315 15.586 1.00 0.00 C ATOM 1357 CE LYS A 91 -6.025 -11.221 14.954 1.00 0.00 C ATOM 1358 NZ LYS A 91 -6.516 -12.619 14.816 1.00 0.00 N ATOM 0 H LYS A 91 -4.662 -9.403 13.562 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.197 -6.949 13.030 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.308 -7.963 15.809 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.524 -7.120 14.871 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.609 -9.085 14.740 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.381 -9.584 13.593 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.652 -9.844 16.476 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.921 -10.912 15.910 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.753 -10.833 13.972 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.120 -11.212 15.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.776 -13.206 14.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.751 -12.999 15.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.365 -12.631 14.215 1.00 0.00 H new ATOM 1372 N SER A 92 -3.726 -6.326 13.558 1.00 0.00 N ATOM 1373 CA SER A 92 -2.522 -5.653 14.028 1.00 0.00 C ATOM 1374 C SER A 92 -2.386 -4.274 13.389 1.00 0.00 C ATOM 1375 O SER A 92 -1.260 -3.732 13.386 1.00 0.00 O ATOM 1376 CB SER A 92 -1.288 -6.501 13.711 1.00 0.00 C ATOM 1377 OG SER A 92 -0.096 -5.832 14.085 1.00 0.00 O ATOM 1378 OXT SER A 92 -3.405 -3.749 12.895 1.00 0.00 O ATOM 0 H SER A 92 -3.877 -6.264 12.551 1.00 0.00 H new ATOM 0 HA SER A 92 -2.601 -5.525 15.108 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.354 -7.454 14.237 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.262 -6.726 12.645 1.00 0.00 H new ATOM 0 HG SER A 92 -0.198 -4.870 13.928 1.00 0.00 H new TER 1384 SER A 92