USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 835 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 81 LYS NZ :NH3+ 155:sc=-0.00989 (180deg=-0.344) USER MOD Set 1.2: A 86 CYS SG : rot -54:sc= 0.329 USER MOD Set 2.1: A 49 LYS NZ :NH3+ 176:sc= 0.428 (180deg=0.4) USER MOD Set 2.2: A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.019) USER MOD Set 3.1: A 7 ASN :FLIP amide:sc= 0.052 F(o=-0.45,f=0.41) USER MOD Set 3.2: A 62 SER OG : rot -49:sc= 0.362 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= 2.52 (180deg=0.933) USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.777 USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= 0.646 (180deg=0.246) USER MOD Single : A 13 ASN : amide:sc= 0.512 K(o=0.51,f=-0.0019) USER MOD Single : A 18 SER OG : rot 112:sc= 0.978 USER MOD Single : A 19 SER OG : rot 103:sc= 0.165 USER MOD Single : A 48 TYR OH : rot -19:sc= 1.13 USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 0.597 (180deg=0.528) USER MOD Single : A 54 CYS SG : rot 24:sc= -2.02 USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 0.547 (180deg=0.505) USER MOD Single : A 58 ASN : amide:sc= 0.024 K(o=0.024,f=-9.1!) USER MOD Single : A 59 THR OG1 : rot 86:sc= 0.958 USER MOD Single : A 64 ASN : amide:sc= 1.12 K(o=1.1,f=-0.83) USER MOD Single : A 67 SER OG : rot 70:sc= 1.2 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.126 USER MOD Single : A 76 THR OG1 : rot 18:sc= 0.618 USER MOD Single : A 78 MET CE :methyl 172:sc= -1.31 (180deg=-1.42) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 29:sc= 1.22 USER MOD Single : A 95 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0026) USER MOD Single : A 97 THR OG1 : rot 72:sc= 1.34 USER MOD Single : A 100 GLN : amide:sc= 0.6 K(o=0.6,f=0) USER MOD Single : A 101 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0459) USER MOD Single : A 105 TYR OH : rot -160:sc= 1.24 USER MOD Single : A 107 ASN : amide:sc= 1.09 K(o=1.1,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.145 -2.371 -11.958 1.00 0.00 N ATOM 2 CA MET A 1 -3.174 -1.983 -12.936 1.00 0.00 C ATOM 3 C MET A 1 -4.017 -0.850 -12.353 1.00 0.00 C ATOM 4 O MET A 1 -3.764 0.304 -12.681 1.00 0.00 O ATOM 5 CB MET A 1 -3.995 -3.206 -13.367 1.00 0.00 C ATOM 6 CG MET A 1 -4.992 -2.869 -14.481 1.00 0.00 C ATOM 7 SD MET A 1 -5.907 -4.304 -15.097 1.00 0.00 S ATOM 8 CE MET A 1 -7.000 -3.487 -16.280 1.00 0.00 C ATOM 0 H1 MET A 1 -1.230 -2.478 -12.441 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.066 -1.636 -11.227 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.410 -3.273 -11.514 1.00 0.00 H new ATOM 0 HA MET A 1 -2.712 -1.603 -13.847 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.321 -3.992 -13.710 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.534 -3.602 -12.506 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.701 -2.129 -14.110 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.455 -2.408 -15.310 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.640 -4.229 -16.757 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.618 -2.756 -15.759 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.402 -2.982 -17.039 1.00 0.00 H new ATOM 20 N GLU A 2 -4.976 -1.154 -11.474 1.00 0.00 N ATOM 21 CA GLU A 2 -5.708 -0.122 -10.756 1.00 0.00 C ATOM 22 C GLU A 2 -4.697 0.481 -9.784 1.00 0.00 C ATOM 23 O GLU A 2 -4.449 1.684 -9.779 1.00 0.00 O ATOM 24 CB GLU A 2 -6.944 -0.717 -10.065 1.00 0.00 C ATOM 25 CG GLU A 2 -8.013 -1.156 -11.082 1.00 0.00 C ATOM 26 CD GLU A 2 -7.646 -2.392 -11.899 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.927 -3.258 -11.354 1.00 0.00 O ATOM 28 OE2 GLU A 2 -8.094 -2.447 -13.064 1.00 0.00 O ATOM 0 H GLU A 2 -5.259 -2.107 -11.247 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.106 0.653 -11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.645 -1.573 -9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.370 0.021 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.943 -1.353 -10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.206 -0.329 -11.766 1.00 0.00 H new ATOM 35 N ALA A 3 -4.079 -0.395 -8.994 1.00 0.00 N ATOM 36 CA ALA A 3 -2.948 -0.054 -8.162 1.00 0.00 C ATOM 37 C ALA A 3 -1.722 0.200 -9.040 1.00 0.00 C ATOM 38 O ALA A 3 -1.520 -0.507 -10.035 1.00 0.00 O ATOM 39 CB ALA A 3 -2.656 -1.214 -7.210 1.00 0.00 C ATOM 0 H ALA A 3 -4.361 -1.372 -8.919 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.176 0.845 -7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.803 -0.962 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.528 -1.399 -6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.428 -2.110 -7.787 1.00 0.00 H new ATOM 45 N GLY A 4 -0.907 1.191 -8.669 1.00 0.00 N ATOM 46 CA GLY A 4 0.334 1.512 -9.361 1.00 0.00 C ATOM 47 C GLY A 4 1.533 0.882 -8.645 1.00 0.00 C ATOM 48 O GLY A 4 1.378 0.021 -7.778 1.00 0.00 O ATOM 0 H GLY A 4 -1.097 1.797 -7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.287 1.151 -10.388 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.460 2.594 -9.409 1.00 0.00 H new ATOM 52 N ALA A 5 2.741 1.334 -8.987 1.00 0.00 N ATOM 53 CA ALA A 5 3.993 0.918 -8.370 1.00 0.00 C ATOM 54 C ALA A 5 4.769 2.197 -8.075 1.00 0.00 C ATOM 55 O ALA A 5 4.693 3.132 -8.871 1.00 0.00 O ATOM 56 CB ALA A 5 4.768 -0.002 -9.314 1.00 0.00 C ATOM 0 H ALA A 5 2.874 2.023 -9.727 1.00 0.00 H new ATOM 0 HA ALA A 5 3.824 0.353 -7.453 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.702 -0.306 -8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.169 -0.885 -9.534 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.987 0.528 -10.241 1.00 0.00 H new ATOM 62 N VAL A 6 5.468 2.263 -6.939 1.00 0.00 N ATOM 63 CA VAL A 6 6.219 3.447 -6.543 1.00 0.00 C ATOM 64 C VAL A 6 7.568 3.067 -5.951 1.00 0.00 C ATOM 65 O VAL A 6 7.836 1.914 -5.609 1.00 0.00 O ATOM 66 CB VAL A 6 5.429 4.309 -5.530 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.478 5.270 -6.240 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.678 3.485 -4.480 1.00 0.00 C ATOM 0 H VAL A 6 5.526 1.495 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 6 6.382 4.037 -7.445 1.00 0.00 H new ATOM 0 HB VAL A 6 6.178 4.888 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.938 5.861 -5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.049 5.934 -6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.767 4.702 -6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.147 4.155 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.963 2.828 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.389 2.885 -3.912 1.00 0.00 H new ATOM 78 N ASN A 7 8.408 4.094 -5.845 1.00 0.00 N ATOM 79 CA ASN A 7 9.710 4.072 -5.216 1.00 0.00 C ATOM 80 C ASN A 7 9.843 5.402 -4.493 1.00 0.00 C ATOM 81 O ASN A 7 9.036 6.294 -4.726 1.00 0.00 O ATOM 82 CB ASN A 7 10.814 3.908 -6.269 1.00 0.00 C ATOM 83 CG ASN A 7 12.226 4.243 -5.792 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.730 3.488 -4.823 1.00 0.00 O flip ATOM 85 ND2 ASN A 7 12.835 5.200 -6.257 1.00 0.00 N flip ATOM 0 H ASN A 7 8.177 5.014 -6.220 1.00 0.00 H new ATOM 0 HA ASN A 7 9.810 3.234 -4.526 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.803 2.878 -6.625 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.576 4.543 -7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 7 12.417 5.758 -7.001 1.00 0.00 H new ATOM 0 HD22 ASN A 7 13.760 5.438 -5.900 1.00 0.00 H new ATOM 92 N ASP A 8 10.865 5.539 -3.656 1.00 0.00 N ATOM 93 CA ASP A 8 11.171 6.732 -2.868 1.00 0.00 C ATOM 94 C ASP A 8 10.924 8.018 -3.657 1.00 0.00 C ATOM 95 O ASP A 8 10.310 8.959 -3.163 1.00 0.00 O ATOM 96 CB ASP A 8 12.643 6.668 -2.449 1.00 0.00 C ATOM 97 CG ASP A 8 13.018 7.720 -1.408 1.00 0.00 C ATOM 98 OD1 ASP A 8 12.103 8.224 -0.723 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.236 7.977 -1.291 1.00 0.00 O ATOM 0 H ASP A 8 11.536 4.787 -3.499 1.00 0.00 H new ATOM 0 HA ASP A 8 10.514 6.750 -1.998 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.857 5.677 -2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.271 6.798 -3.330 1.00 0.00 H new ATOM 104 N ASP A 9 11.407 8.027 -4.899 1.00 0.00 N ATOM 105 CA ASP A 9 11.230 9.139 -5.822 1.00 0.00 C ATOM 106 C ASP A 9 9.747 9.464 -6.048 1.00 0.00 C ATOM 107 O ASP A 9 9.251 10.498 -5.612 1.00 0.00 O ATOM 108 CB ASP A 9 11.894 8.784 -7.156 1.00 0.00 C ATOM 109 CG ASP A 9 11.667 9.886 -8.185 1.00 0.00 C ATOM 110 OD1 ASP A 9 12.280 10.960 -8.008 1.00 0.00 O ATOM 111 OD2 ASP A 9 10.879 9.634 -9.121 1.00 0.00 O ATOM 0 H ASP A 9 11.938 7.251 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 9 11.694 10.024 -5.388 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.963 8.635 -7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.490 7.843 -7.529 1.00 0.00 H new ATOM 116 N THR A 10 9.043 8.578 -6.750 1.00 0.00 N ATOM 117 CA THR A 10 7.653 8.760 -7.152 1.00 0.00 C ATOM 118 C THR A 10 6.714 8.908 -5.947 1.00 0.00 C ATOM 119 O THR A 10 5.785 9.718 -5.976 1.00 0.00 O ATOM 120 CB THR A 10 7.265 7.577 -8.049 1.00 0.00 C ATOM 121 OG1 THR A 10 7.706 6.355 -7.480 1.00 0.00 O ATOM 122 CG2 THR A 10 7.928 7.716 -9.423 1.00 0.00 C ATOM 0 H THR A 10 9.436 7.690 -7.062 1.00 0.00 H new ATOM 0 HA THR A 10 7.550 9.692 -7.707 1.00 0.00 H new ATOM 0 HB THR A 10 6.179 7.577 -8.146 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.745 5.666 -8.175 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.645 6.871 -10.051 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.600 8.643 -9.893 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.011 7.733 -9.304 1.00 0.00 H new ATOM 130 N PHE A 11 6.987 8.141 -4.888 1.00 0.00 N ATOM 131 CA PHE A 11 6.283 8.093 -3.610 1.00 0.00 C ATOM 132 C PHE A 11 5.865 9.488 -3.161 1.00 0.00 C ATOM 133 O PHE A 11 4.735 9.722 -2.745 1.00 0.00 O ATOM 134 CB PHE A 11 7.238 7.483 -2.582 1.00 0.00 C ATOM 135 CG PHE A 11 6.716 7.357 -1.172 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.781 6.359 -0.855 1.00 0.00 C ATOM 137 CD2 PHE A 11 7.253 8.162 -0.153 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.302 6.238 0.460 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.796 8.024 1.166 1.00 0.00 C ATOM 140 CZ PHE A 11 5.804 7.076 1.472 1.00 0.00 C ATOM 0 H PHE A 11 7.769 7.486 -4.907 1.00 0.00 H new ATOM 0 HA PHE A 11 5.377 7.495 -3.709 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.525 6.491 -2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 11 8.145 8.087 -2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.430 5.684 -1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.018 8.888 -0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.548 5.501 0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.207 8.647 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.429 6.991 2.481 1.00 0.00 H new ATOM 150 N LYS A 12 6.807 10.414 -3.264 1.00 0.00 N ATOM 151 CA LYS A 12 6.610 11.827 -2.979 1.00 0.00 C ATOM 152 C LYS A 12 5.282 12.347 -3.546 1.00 0.00 C ATOM 153 O LYS A 12 4.366 12.735 -2.822 1.00 0.00 O ATOM 154 CB LYS A 12 7.744 12.622 -3.637 1.00 0.00 C ATOM 155 CG LYS A 12 9.141 12.357 -3.058 1.00 0.00 C ATOM 156 CD LYS A 12 9.339 12.836 -1.613 1.00 0.00 C ATOM 157 CE LYS A 12 9.336 11.674 -0.612 1.00 0.00 C ATOM 158 NZ LYS A 12 10.464 10.746 -0.825 1.00 0.00 N ATOM 0 H LYS A 12 7.759 10.195 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 12 6.599 11.951 -1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.759 12.392 -4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.524 13.685 -3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.340 11.286 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.881 12.845 -3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.283 13.376 -1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.548 13.539 -1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.382 12.071 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.397 11.127 -0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.604 10.168 0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.255 10.125 -1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.329 11.290 -1.021 1.00 0.00 H new ATOM 172 N ASN A 13 5.199 12.359 -4.874 1.00 0.00 N ATOM 173 CA ASN A 13 4.077 12.916 -5.607 1.00 0.00 C ATOM 174 C ASN A 13 2.859 12.020 -5.496 1.00 0.00 C ATOM 175 O ASN A 13 1.741 12.478 -5.279 1.00 0.00 O ATOM 176 CB ASN A 13 4.474 13.078 -7.086 1.00 0.00 C ATOM 177 CG ASN A 13 4.432 14.533 -7.543 1.00 0.00 C ATOM 178 OD1 ASN A 13 3.872 14.845 -8.587 1.00 0.00 O ATOM 179 ND2 ASN A 13 5.038 15.439 -6.779 1.00 0.00 N ATOM 0 H ASN A 13 5.926 11.974 -5.477 1.00 0.00 H new ATOM 0 HA ASN A 13 3.823 13.886 -5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.478 12.682 -7.235 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.802 12.485 -7.707 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.043 16.420 -7.058 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.497 15.152 -5.914 1.00 0.00 H new ATOM 186 N VAL A 14 3.104 10.727 -5.670 1.00 0.00 N ATOM 187 CA VAL A 14 2.043 9.740 -5.774 1.00 0.00 C ATOM 188 C VAL A 14 1.329 9.521 -4.435 1.00 0.00 C ATOM 189 O VAL A 14 0.110 9.348 -4.416 1.00 0.00 O ATOM 190 CB VAL A 14 2.645 8.448 -6.356 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.599 7.336 -6.462 1.00 0.00 C ATOM 192 CG2 VAL A 14 3.190 8.698 -7.772 1.00 0.00 C ATOM 0 H VAL A 14 4.043 10.336 -5.743 1.00 0.00 H new ATOM 0 HA VAL A 14 1.265 10.099 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 14 3.442 8.143 -5.678 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.061 6.440 -6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.202 7.114 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.788 7.661 -7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.612 7.774 -8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.380 9.034 -8.420 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.965 9.463 -7.734 1.00 0.00 H new ATOM 202 N VAL A 15 2.073 9.529 -3.325 1.00 0.00 N ATOM 203 CA VAL A 15 1.568 9.234 -1.992 1.00 0.00 C ATOM 204 C VAL A 15 1.504 10.489 -1.121 1.00 0.00 C ATOM 205 O VAL A 15 0.413 10.954 -0.797 1.00 0.00 O ATOM 206 CB VAL A 15 2.447 8.154 -1.330 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.796 7.674 -0.031 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.677 6.971 -2.279 1.00 0.00 C ATOM 0 H VAL A 15 3.069 9.747 -3.335 1.00 0.00 H new ATOM 0 HA VAL A 15 0.549 8.858 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 15 3.417 8.595 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.423 6.911 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.686 8.515 0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.815 7.253 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.300 6.225 -1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.718 6.525 -2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.177 7.321 -3.182 1.00 0.00 H new ATOM 218 N LEU A 16 2.657 11.040 -0.729 1.00 0.00 N ATOM 219 CA LEU A 16 2.690 12.144 0.227 1.00 0.00 C ATOM 220 C LEU A 16 1.810 13.305 -0.240 1.00 0.00 C ATOM 221 O LEU A 16 0.956 13.783 0.507 1.00 0.00 O ATOM 222 CB LEU A 16 4.127 12.626 0.472 1.00 0.00 C ATOM 223 CG LEU A 16 5.112 11.530 0.914 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.453 12.195 1.236 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.643 10.783 2.165 1.00 0.00 C ATOM 0 H LEU A 16 3.574 10.739 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 16 2.291 11.770 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.502 13.083 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.108 13.406 1.233 1.00 0.00 H new ATOM 0 HG LEU A 16 5.190 10.807 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.169 11.436 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.830 12.702 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.316 12.921 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.377 10.022 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.535 11.487 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.683 10.307 1.966 1.00 0.00 H new ATOM 237 N GLU A 17 2.001 13.734 -1.487 1.00 0.00 N ATOM 238 CA GLU A 17 1.266 14.850 -2.069 1.00 0.00 C ATOM 239 C GLU A 17 -0.056 14.410 -2.727 1.00 0.00 C ATOM 240 O GLU A 17 -0.602 15.173 -3.522 1.00 0.00 O ATOM 241 CB GLU A 17 2.167 15.533 -3.110 1.00 0.00 C ATOM 242 CG GLU A 17 3.526 15.985 -2.548 1.00 0.00 C ATOM 243 CD GLU A 17 4.475 16.408 -3.666 1.00 0.00 C ATOM 244 OE1 GLU A 17 4.282 17.529 -4.183 1.00 0.00 O ATOM 245 OE2 GLU A 17 5.369 15.597 -4.001 1.00 0.00 O ATOM 0 H GLU A 17 2.676 13.312 -2.124 1.00 0.00 H new ATOM 0 HA GLU A 17 1.002 15.540 -1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.337 14.845 -3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.645 16.399 -3.517 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.379 16.817 -1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.974 15.173 -1.976 1.00 0.00 H new ATOM 252 N SER A 18 -0.586 13.214 -2.437 1.00 0.00 N ATOM 253 CA SER A 18 -1.820 12.774 -3.090 1.00 0.00 C ATOM 254 C SER A 18 -3.041 13.497 -2.509 1.00 0.00 C ATOM 255 O SER A 18 -3.034 13.933 -1.359 1.00 0.00 O ATOM 256 CB SER A 18 -1.993 11.255 -2.963 1.00 0.00 C ATOM 257 OG SER A 18 -2.315 10.687 -4.218 1.00 0.00 O ATOM 0 H SER A 18 -0.190 12.550 -1.771 1.00 0.00 H new ATOM 0 HA SER A 18 -1.743 13.028 -4.147 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.075 10.809 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.780 11.032 -2.243 1.00 0.00 H new ATOM 0 HG SER A 18 -1.568 10.133 -4.527 1.00 0.00 H new ATOM 263 N SER A 19 -4.099 13.607 -3.317 1.00 0.00 N ATOM 264 CA SER A 19 -5.367 14.230 -2.972 1.00 0.00 C ATOM 265 C SER A 19 -6.280 13.202 -2.301 1.00 0.00 C ATOM 266 O SER A 19 -6.721 13.374 -1.167 1.00 0.00 O ATOM 267 CB SER A 19 -5.986 14.737 -4.278 1.00 0.00 C ATOM 268 OG SER A 19 -5.844 13.730 -5.271 1.00 0.00 O ATOM 0 H SER A 19 -4.088 13.246 -4.271 1.00 0.00 H new ATOM 0 HA SER A 19 -5.229 15.055 -2.273 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.039 14.975 -4.129 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.494 15.655 -4.598 1.00 0.00 H new ATOM 0 HG SER A 19 -6.700 13.270 -5.396 1.00 0.00 H new ATOM 274 N VAL A 20 -6.551 12.121 -3.032 1.00 0.00 N ATOM 275 CA VAL A 20 -7.369 11.000 -2.585 1.00 0.00 C ATOM 276 C VAL A 20 -6.515 10.131 -1.657 1.00 0.00 C ATOM 277 O VAL A 20 -5.288 10.262 -1.655 1.00 0.00 O ATOM 278 CB VAL A 20 -7.861 10.202 -3.812 1.00 0.00 C ATOM 279 CG1 VAL A 20 -8.854 11.027 -4.636 1.00 0.00 C ATOM 280 CG2 VAL A 20 -6.725 9.714 -4.722 1.00 0.00 C ATOM 0 H VAL A 20 -6.195 12.000 -3.980 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.248 11.346 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.353 9.317 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.187 10.444 -5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.714 11.285 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.369 11.940 -4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.144 9.161 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.164 10.571 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.059 9.063 -4.156 1.00 0.00 H new ATOM 290 N PRO A 21 -7.132 9.276 -0.826 1.00 0.00 N ATOM 291 CA PRO A 21 -6.386 8.329 -0.014 1.00 0.00 C ATOM 292 C PRO A 21 -5.545 7.428 -0.916 1.00 0.00 C ATOM 293 O PRO A 21 -5.817 7.328 -2.108 1.00 0.00 O ATOM 294 CB PRO A 21 -7.417 7.487 0.726 1.00 0.00 C ATOM 295 CG PRO A 21 -8.701 8.295 0.637 1.00 0.00 C ATOM 296 CD PRO A 21 -8.558 9.039 -0.690 1.00 0.00 C ATOM 0 HA PRO A 21 -5.718 8.842 0.678 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.533 6.506 0.266 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.124 7.320 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.582 7.653 0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.801 8.984 1.476 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.942 8.446 -1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.116 9.975 -0.682 1.00 0.00 H new ATOM 304 N VAL A 22 -4.574 6.721 -0.344 1.00 0.00 N ATOM 305 CA VAL A 22 -3.624 5.901 -1.084 1.00 0.00 C ATOM 306 C VAL A 22 -3.237 4.650 -0.283 1.00 0.00 C ATOM 307 O VAL A 22 -2.606 4.757 0.765 1.00 0.00 O ATOM 308 CB VAL A 22 -2.375 6.750 -1.393 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.426 5.974 -2.303 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.697 8.084 -2.072 1.00 0.00 C ATOM 0 H VAL A 22 -4.424 6.703 0.665 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.084 5.566 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.916 6.966 -0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.547 6.582 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.119 5.053 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.934 5.732 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.772 8.629 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.207 7.897 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.342 8.676 -1.423 1.00 0.00 H new ATOM 320 N LEU A 23 -3.571 3.455 -0.775 1.00 0.00 N ATOM 321 CA LEU A 23 -3.234 2.191 -0.130 1.00 0.00 C ATOM 322 C LEU A 23 -1.854 1.736 -0.641 1.00 0.00 C ATOM 323 O LEU A 23 -1.757 1.187 -1.739 1.00 0.00 O ATOM 324 CB LEU A 23 -4.359 1.181 -0.434 1.00 0.00 C ATOM 325 CG LEU A 23 -4.676 0.269 0.756 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.500 0.998 1.822 1.00 0.00 C ATOM 327 CD2 LEU A 23 -5.465 -0.955 0.275 1.00 0.00 C ATOM 0 H LEU A 23 -4.091 3.340 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.162 2.284 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.260 1.723 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.070 0.569 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.728 -0.037 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.705 0.320 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.941 1.859 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.441 1.335 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.688 -1.601 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.397 -0.629 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.872 -1.507 -0.454 1.00 0.00 H new ATOM 339 N VAL A 24 -0.781 1.981 0.119 1.00 0.00 N ATOM 340 CA VAL A 24 0.588 1.676 -0.300 1.00 0.00 C ATOM 341 C VAL A 24 1.040 0.338 0.279 1.00 0.00 C ATOM 342 O VAL A 24 1.262 0.257 1.486 1.00 0.00 O ATOM 343 CB VAL A 24 1.547 2.785 0.172 1.00 0.00 C ATOM 344 CG1 VAL A 24 2.978 2.517 -0.322 1.00 0.00 C ATOM 345 CG2 VAL A 24 1.111 4.154 -0.349 1.00 0.00 C ATOM 0 H VAL A 24 -0.840 2.399 1.047 1.00 0.00 H new ATOM 0 HA VAL A 24 0.606 1.618 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 24 1.521 2.783 1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.637 3.313 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.326 1.562 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.987 2.486 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.808 4.915 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.103 4.143 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.110 4.381 0.019 1.00 0.00 H new ATOM 355 N ASP A 25 1.210 -0.698 -0.552 1.00 0.00 N ATOM 356 CA ASP A 25 1.708 -1.987 -0.092 1.00 0.00 C ATOM 357 C ASP A 25 3.232 -1.982 -0.176 1.00 0.00 C ATOM 358 O ASP A 25 3.779 -1.858 -1.271 1.00 0.00 O ATOM 359 CB ASP A 25 1.117 -3.137 -0.910 1.00 0.00 C ATOM 360 CG ASP A 25 1.719 -4.483 -0.502 1.00 0.00 C ATOM 361 OD1 ASP A 25 1.978 -4.657 0.710 1.00 0.00 O ATOM 362 OD2 ASP A 25 1.910 -5.315 -1.415 1.00 0.00 O ATOM 0 H ASP A 25 1.007 -0.661 -1.551 1.00 0.00 H new ATOM 0 HA ASP A 25 1.399 -2.143 0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.036 -3.164 -0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.300 -2.962 -1.970 1.00 0.00 H new ATOM 367 N PHE A 26 3.931 -2.075 0.956 1.00 0.00 N ATOM 368 CA PHE A 26 5.384 -2.146 0.951 1.00 0.00 C ATOM 369 C PHE A 26 5.704 -3.597 0.621 1.00 0.00 C ATOM 370 O PHE A 26 5.399 -4.480 1.423 1.00 0.00 O ATOM 371 CB PHE A 26 5.969 -1.706 2.297 1.00 0.00 C ATOM 372 CG PHE A 26 5.817 -0.221 2.590 1.00 0.00 C ATOM 373 CD1 PHE A 26 4.540 0.361 2.713 1.00 0.00 C ATOM 374 CD2 PHE A 26 6.957 0.587 2.759 1.00 0.00 C ATOM 375 CE1 PHE A 26 4.405 1.713 3.050 1.00 0.00 C ATOM 376 CE2 PHE A 26 6.817 1.941 3.112 1.00 0.00 C ATOM 377 CZ PHE A 26 5.540 2.483 3.333 1.00 0.00 C ATOM 0 H PHE A 26 3.510 -2.103 1.885 1.00 0.00 H new ATOM 0 HA PHE A 26 5.830 -1.469 0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.486 -2.273 3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.028 -1.963 2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.659 -0.240 2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.941 0.166 2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.424 2.163 3.092 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.693 2.565 3.213 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.434 3.486 3.718 1.00 0.00 H new ATOM 387 N TRP A 27 6.264 -3.837 -0.567 1.00 0.00 N ATOM 388 CA TRP A 27 6.496 -5.179 -1.076 1.00 0.00 C ATOM 389 C TRP A 27 7.920 -5.330 -1.588 1.00 0.00 C ATOM 390 O TRP A 27 8.755 -4.439 -1.449 1.00 0.00 O ATOM 391 CB TRP A 27 5.506 -5.462 -2.220 1.00 0.00 C ATOM 392 CG TRP A 27 5.853 -4.780 -3.506 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.829 -3.449 -3.704 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.455 -5.345 -4.705 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.462 -3.131 -4.889 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.900 -4.271 -5.531 1.00 0.00 C ATOM 397 CE3 TRP A 27 6.718 -6.656 -5.157 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.622 -4.490 -6.713 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.374 -6.880 -6.379 1.00 0.00 C ATOM 400 CH2 TRP A 27 7.837 -5.803 -7.152 1.00 0.00 C ATOM 0 H TRP A 27 6.569 -3.098 -1.201 1.00 0.00 H new ATOM 0 HA TRP A 27 6.347 -5.891 -0.264 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.462 -6.538 -2.391 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.509 -5.147 -1.911 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.379 -2.733 -3.032 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.589 -2.182 -5.242 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.411 -7.499 -4.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.008 -3.655 -7.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.524 -7.891 -6.728 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.357 -5.986 -8.081 1.00 0.00 H new ATOM 411 N ALA A 28 8.187 -6.463 -2.227 1.00 0.00 N ATOM 412 CA ALA A 28 9.427 -6.753 -2.923 1.00 0.00 C ATOM 413 C ALA A 28 9.207 -8.054 -3.690 1.00 0.00 C ATOM 414 O ALA A 28 8.429 -8.886 -3.227 1.00 0.00 O ATOM 415 CB ALA A 28 10.586 -6.935 -1.945 1.00 0.00 C ATOM 0 H ALA A 28 7.518 -7.231 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 28 9.684 -5.926 -3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.499 -7.151 -2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.720 -6.021 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.367 -7.763 -1.271 1.00 0.00 H new ATOM 421 N PRO A 29 9.869 -8.277 -4.832 1.00 0.00 N ATOM 422 CA PRO A 29 9.724 -9.514 -5.586 1.00 0.00 C ATOM 423 C PRO A 29 10.002 -10.749 -4.728 1.00 0.00 C ATOM 424 O PRO A 29 9.267 -11.730 -4.804 1.00 0.00 O ATOM 425 CB PRO A 29 10.684 -9.386 -6.768 1.00 0.00 C ATOM 426 CG PRO A 29 11.652 -8.268 -6.366 1.00 0.00 C ATOM 427 CD PRO A 29 10.763 -7.363 -5.519 1.00 0.00 C ATOM 0 HA PRO A 29 8.699 -9.656 -5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.213 -10.321 -6.951 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.151 -9.137 -7.686 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.502 -8.649 -5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.055 -7.746 -7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.351 -6.776 -4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.210 -6.656 -6.138 1.00 0.00 H new ATOM 435 N TRP A 30 11.042 -10.705 -3.891 1.00 0.00 N ATOM 436 CA TRP A 30 11.366 -11.820 -3.011 1.00 0.00 C ATOM 437 C TRP A 30 10.279 -12.042 -1.950 1.00 0.00 C ATOM 438 O TRP A 30 10.176 -13.139 -1.403 1.00 0.00 O ATOM 439 CB TRP A 30 12.733 -11.578 -2.354 1.00 0.00 C ATOM 440 CG TRP A 30 12.899 -10.315 -1.558 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.590 -9.225 -1.961 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.416 -10.000 -0.215 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.555 -8.254 -0.983 1.00 0.00 N ATOM 444 CE2 TRP A 30 12.828 -8.674 0.112 1.00 0.00 C ATOM 445 CE3 TRP A 30 11.679 -10.699 0.768 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.494 -8.061 1.329 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.306 -10.081 1.976 1.00 0.00 C ATOM 448 CH2 TRP A 30 11.697 -8.760 2.252 1.00 0.00 C ATOM 0 H TRP A 30 11.672 -9.907 -3.808 1.00 0.00 H new ATOM 0 HA TRP A 30 11.413 -12.728 -3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 30 12.946 -12.421 -1.697 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.490 -11.585 -3.138 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.096 -9.129 -2.911 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.008 -7.343 -1.059 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.397 -11.726 0.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 12.845 -7.065 1.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.715 -10.626 2.697 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.386 -8.283 3.170 1.00 0.00 H new ATOM 459 N CYS A 31 9.455 -11.033 -1.656 1.00 0.00 N ATOM 460 CA CYS A 31 8.455 -11.140 -0.606 1.00 0.00 C ATOM 461 C CYS A 31 7.259 -11.976 -1.060 1.00 0.00 C ATOM 462 O CYS A 31 6.233 -11.439 -1.470 1.00 0.00 O ATOM 463 CB CYS A 31 8.010 -9.753 -0.143 1.00 0.00 C ATOM 464 SG CYS A 31 6.713 -9.829 1.107 1.00 0.00 S ATOM 0 H CYS A 31 9.466 -10.133 -2.135 1.00 0.00 H new ATOM 0 HA CYS A 31 8.911 -11.653 0.241 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.868 -9.215 0.260 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.651 -9.184 -1.001 1.00 0.00 H new ATOM 469 N GLY A 32 7.382 -13.299 -0.953 1.00 0.00 N ATOM 470 CA GLY A 32 6.307 -14.252 -1.216 1.00 0.00 C ATOM 471 C GLY A 32 4.938 -13.799 -0.681 1.00 0.00 C ATOM 472 O GLY A 32 3.998 -13.693 -1.473 1.00 0.00 O ATOM 0 H GLY A 32 8.255 -13.748 -0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.232 -14.415 -2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.565 -15.211 -0.766 1.00 0.00 H new ATOM 476 N PRO A 33 4.792 -13.515 0.631 1.00 0.00 N ATOM 477 CA PRO A 33 3.516 -13.089 1.191 1.00 0.00 C ATOM 478 C PRO A 33 3.007 -11.783 0.573 1.00 0.00 C ATOM 479 O PRO A 33 1.817 -11.504 0.660 1.00 0.00 O ATOM 480 CB PRO A 33 3.732 -12.975 2.704 1.00 0.00 C ATOM 481 CG PRO A 33 5.238 -12.795 2.860 1.00 0.00 C ATOM 482 CD PRO A 33 5.783 -13.616 1.698 1.00 0.00 C ATOM 0 HA PRO A 33 2.734 -13.814 0.963 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.186 -12.129 3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.383 -13.867 3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.532 -11.748 2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.595 -13.164 3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.749 -13.233 1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.935 -14.655 1.992 1.00 0.00 H new ATOM 490 N CYS A 34 3.875 -10.974 -0.040 1.00 0.00 N ATOM 491 CA CYS A 34 3.446 -9.768 -0.733 1.00 0.00 C ATOM 492 C CYS A 34 2.966 -10.190 -2.117 1.00 0.00 C ATOM 493 O CYS A 34 1.811 -9.989 -2.481 1.00 0.00 O ATOM 494 CB CYS A 34 4.577 -8.744 -0.870 1.00 0.00 C ATOM 495 SG CYS A 34 5.461 -8.241 0.620 1.00 0.00 S ATOM 0 H CYS A 34 4.881 -11.138 -0.067 1.00 0.00 H new ATOM 0 HA CYS A 34 2.655 -9.287 -0.159 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.308 -9.148 -1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.160 -7.847 -1.328 1.00 0.00 H new ATOM 500 N ARG A 35 3.875 -10.813 -2.871 1.00 0.00 N ATOM 501 CA ARG A 35 3.717 -11.294 -4.235 1.00 0.00 C ATOM 502 C ARG A 35 2.348 -11.927 -4.467 1.00 0.00 C ATOM 503 O ARG A 35 1.643 -11.561 -5.403 1.00 0.00 O ATOM 504 CB ARG A 35 4.824 -12.325 -4.500 1.00 0.00 C ATOM 505 CG ARG A 35 5.037 -12.616 -5.990 1.00 0.00 C ATOM 506 CD ARG A 35 5.904 -13.870 -6.158 1.00 0.00 C ATOM 507 NE ARG A 35 7.173 -13.746 -5.423 1.00 0.00 N ATOM 508 CZ ARG A 35 7.779 -14.702 -4.704 1.00 0.00 C ATOM 509 NH1 ARG A 35 7.319 -15.958 -4.675 1.00 0.00 N ATOM 510 NH2 ARG A 35 8.866 -14.370 -4.004 1.00 0.00 N ATOM 0 H ARG A 35 4.810 -11.006 -2.511 1.00 0.00 H new ATOM 0 HA ARG A 35 3.793 -10.450 -4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.758 -11.963 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.576 -13.254 -3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.075 -12.759 -6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.517 -11.764 -6.471 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.358 -14.743 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.109 -14.034 -7.216 1.00 0.00 H new ATOM 0 HE ARG A 35 7.639 -12.840 -5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.487 -16.209 -5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.800 -16.665 -4.119 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.214 -13.411 -4.026 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.349 -15.075 -3.447 1.00 0.00 H new ATOM 524 N ILE A 36 1.979 -12.888 -3.619 1.00 0.00 N ATOM 525 CA ILE A 36 0.726 -13.620 -3.788 1.00 0.00 C ATOM 526 C ILE A 36 -0.514 -12.779 -3.435 1.00 0.00 C ATOM 527 O ILE A 36 -1.605 -13.091 -3.905 1.00 0.00 O ATOM 528 CB ILE A 36 0.788 -14.951 -3.012 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.945 -14.769 -1.491 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.955 -15.797 -3.544 1.00 0.00 C ATOM 531 CD1 ILE A 36 -0.389 -15.000 -0.777 1.00 0.00 C ATOM 0 H ILE A 36 2.530 -13.176 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 36 0.611 -13.850 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.167 -15.452 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.692 -15.467 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.309 -13.764 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.001 -16.739 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.803 -16.000 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.890 -15.253 -3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.255 -14.866 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.126 -14.285 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.737 -16.014 -0.976 1.00 0.00 H new ATOM 543 N ILE A 37 -0.375 -11.724 -2.624 1.00 0.00 N ATOM 544 CA ILE A 37 -1.474 -10.849 -2.211 1.00 0.00 C ATOM 545 C ILE A 37 -1.622 -9.677 -3.198 1.00 0.00 C ATOM 546 O ILE A 37 -2.726 -9.232 -3.490 1.00 0.00 O ATOM 547 CB ILE A 37 -1.212 -10.397 -0.759 1.00 0.00 C ATOM 548 CG1 ILE A 37 -1.178 -11.597 0.207 1.00 0.00 C ATOM 549 CG2 ILE A 37 -2.261 -9.407 -0.245 1.00 0.00 C ATOM 550 CD1 ILE A 37 -2.516 -12.319 0.414 1.00 0.00 C ATOM 0 H ILE A 37 0.525 -11.450 -2.229 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.427 -11.377 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.241 -9.902 -0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.450 -12.318 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.819 -11.251 1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.024 -9.126 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.261 -8.517 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.246 -9.873 -0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.379 -13.146 1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.248 -11.620 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.873 -12.705 -0.541 1.00 0.00 H new ATOM 562 N ALA A 38 -0.513 -9.200 -3.762 1.00 0.00 N ATOM 563 CA ALA A 38 -0.409 -8.105 -4.724 1.00 0.00 C ATOM 564 C ALA A 38 -1.513 -8.059 -5.800 1.00 0.00 C ATOM 565 O ALA A 38 -2.002 -6.967 -6.091 1.00 0.00 O ATOM 566 CB ALA A 38 0.966 -8.170 -5.396 1.00 0.00 C ATOM 0 H ALA A 38 0.401 -9.597 -3.543 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.542 -7.189 -4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.057 -7.358 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.745 -8.073 -4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.075 -9.125 -5.910 1.00 0.00 H new ATOM 572 N PRO A 39 -1.926 -9.174 -6.429 1.00 0.00 N ATOM 573 CA PRO A 39 -2.955 -9.138 -7.461 1.00 0.00 C ATOM 574 C PRO A 39 -4.290 -8.752 -6.816 1.00 0.00 C ATOM 575 O PRO A 39 -5.112 -8.025 -7.372 1.00 0.00 O ATOM 576 CB PRO A 39 -2.997 -10.556 -8.059 1.00 0.00 C ATOM 577 CG PRO A 39 -1.758 -11.258 -7.489 1.00 0.00 C ATOM 578 CD PRO A 39 -1.601 -10.560 -6.145 1.00 0.00 C ATOM 0 HA PRO A 39 -2.752 -8.406 -8.242 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.912 -11.077 -7.777 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.969 -10.527 -9.148 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.910 -12.332 -7.378 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.883 -11.124 -8.125 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.271 -10.982 -5.396 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.587 -10.661 -5.759 1.00 0.00 H new ATOM 586 N VAL A 40 -4.467 -9.250 -5.596 1.00 0.00 N ATOM 587 CA VAL A 40 -5.598 -9.052 -4.734 1.00 0.00 C ATOM 588 C VAL A 40 -5.563 -7.596 -4.242 1.00 0.00 C ATOM 589 O VAL A 40 -6.598 -6.936 -4.226 1.00 0.00 O ATOM 590 CB VAL A 40 -5.551 -10.182 -3.678 1.00 0.00 C ATOM 591 CG1 VAL A 40 -5.542 -9.728 -2.223 1.00 0.00 C ATOM 592 CG2 VAL A 40 -6.676 -11.182 -3.946 1.00 0.00 C ATOM 0 H VAL A 40 -3.762 -9.846 -5.163 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.578 -9.144 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.579 -10.660 -3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.508 -10.600 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.666 -9.105 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.445 -9.154 -2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.641 -11.977 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.638 -10.672 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.552 -11.611 -4.940 1.00 0.00 H new ATOM 602 N VAL A 41 -4.385 -7.048 -3.911 1.00 0.00 N ATOM 603 CA VAL A 41 -4.249 -5.625 -3.591 1.00 0.00 C ATOM 604 C VAL A 41 -4.818 -4.827 -4.770 1.00 0.00 C ATOM 605 O VAL A 41 -5.622 -3.916 -4.585 1.00 0.00 O ATOM 606 CB VAL A 41 -2.772 -5.243 -3.334 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.574 -3.733 -3.160 1.00 0.00 C ATOM 608 CG2 VAL A 41 -2.201 -5.974 -2.119 1.00 0.00 C ATOM 0 H VAL A 41 -3.512 -7.573 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.796 -5.398 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.229 -5.555 -4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.519 -3.522 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.900 -3.217 -4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.162 -3.384 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.162 -5.679 -1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.781 -5.715 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.252 -7.050 -2.285 1.00 0.00 H new ATOM 618 N ASP A 42 -4.411 -5.196 -5.988 1.00 0.00 N ATOM 619 CA ASP A 42 -4.845 -4.519 -7.201 1.00 0.00 C ATOM 620 C ASP A 42 -6.367 -4.588 -7.375 1.00 0.00 C ATOM 621 O ASP A 42 -7.023 -3.563 -7.550 1.00 0.00 O ATOM 622 CB ASP A 42 -4.122 -5.123 -8.413 1.00 0.00 C ATOM 623 CG ASP A 42 -3.862 -4.097 -9.508 1.00 0.00 C ATOM 624 OD1 ASP A 42 -4.571 -3.071 -9.557 1.00 0.00 O ATOM 625 OD2 ASP A 42 -2.909 -4.326 -10.284 1.00 0.00 O ATOM 0 H ASP A 42 -3.772 -5.973 -6.155 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.584 -3.464 -7.120 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.174 -5.552 -8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.720 -5.939 -8.819 1.00 0.00 H new ATOM 630 N GLU A 43 -6.956 -5.786 -7.328 1.00 0.00 N ATOM 631 CA GLU A 43 -8.401 -5.892 -7.507 1.00 0.00 C ATOM 632 C GLU A 43 -9.146 -5.118 -6.407 1.00 0.00 C ATOM 633 O GLU A 43 -10.132 -4.436 -6.686 1.00 0.00 O ATOM 634 CB GLU A 43 -8.830 -7.360 -7.598 1.00 0.00 C ATOM 635 CG GLU A 43 -9.146 -8.023 -6.253 1.00 0.00 C ATOM 636 CD GLU A 43 -9.414 -9.507 -6.429 1.00 0.00 C ATOM 637 OE1 GLU A 43 -8.421 -10.267 -6.443 1.00 0.00 O ATOM 638 OE2 GLU A 43 -10.609 -9.856 -6.548 1.00 0.00 O ATOM 0 H GLU A 43 -6.470 -6.669 -7.172 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.675 -5.427 -8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.711 -7.427 -8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.038 -7.926 -8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.311 -7.879 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.015 -7.544 -5.802 1.00 0.00 H new ATOM 645 N ILE A 44 -8.673 -5.207 -5.158 1.00 0.00 N ATOM 646 CA ILE A 44 -9.260 -4.462 -4.058 1.00 0.00 C ATOM 647 C ILE A 44 -9.177 -2.976 -4.393 1.00 0.00 C ATOM 648 O ILE A 44 -10.147 -2.248 -4.188 1.00 0.00 O ATOM 649 CB ILE A 44 -8.573 -4.834 -2.733 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.972 -6.280 -2.383 1.00 0.00 C ATOM 651 CG2 ILE A 44 -9.006 -3.880 -1.608 1.00 0.00 C ATOM 652 CD1 ILE A 44 -8.202 -6.821 -1.176 1.00 0.00 C ATOM 0 H ILE A 44 -7.881 -5.793 -4.892 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.311 -4.717 -3.924 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.491 -4.750 -2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.041 -6.319 -2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.791 -6.923 -3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.508 -4.162 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.732 -2.859 -1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.086 -3.942 -1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.520 -7.843 -0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.133 -6.809 -1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.404 -6.196 -0.306 1.00 0.00 H new ATOM 664 N ALA A 45 -8.047 -2.503 -4.928 1.00 0.00 N ATOM 665 CA ALA A 45 -7.951 -1.119 -5.368 1.00 0.00 C ATOM 666 C ALA A 45 -9.095 -0.824 -6.335 1.00 0.00 C ATOM 667 O ALA A 45 -9.780 0.181 -6.188 1.00 0.00 O ATOM 668 CB ALA A 45 -6.613 -0.860 -6.049 1.00 0.00 C ATOM 0 H ALA A 45 -7.200 -3.054 -5.063 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.021 -0.463 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.563 0.181 -6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.803 -1.063 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.514 -1.512 -6.917 1.00 0.00 H new ATOM 674 N GLY A 46 -9.315 -1.720 -7.302 1.00 0.00 N ATOM 675 CA GLY A 46 -10.413 -1.608 -8.247 1.00 0.00 C ATOM 676 C GLY A 46 -11.754 -1.420 -7.538 1.00 0.00 C ATOM 677 O GLY A 46 -12.479 -0.473 -7.842 1.00 0.00 O ATOM 0 H GLY A 46 -8.731 -2.543 -7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.233 -0.765 -8.915 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.452 -2.504 -8.867 1.00 0.00 H new ATOM 681 N GLU A 47 -12.080 -2.303 -6.585 1.00 0.00 N ATOM 682 CA GLU A 47 -13.325 -2.239 -5.829 1.00 0.00 C ATOM 683 C GLU A 47 -13.611 -0.828 -5.305 1.00 0.00 C ATOM 684 O GLU A 47 -14.756 -0.384 -5.343 1.00 0.00 O ATOM 685 CB GLU A 47 -13.268 -3.210 -4.646 1.00 0.00 C ATOM 686 CG GLU A 47 -13.277 -4.689 -5.050 1.00 0.00 C ATOM 687 CD GLU A 47 -13.067 -5.597 -3.838 1.00 0.00 C ATOM 688 OE1 GLU A 47 -13.564 -5.227 -2.750 1.00 0.00 O ATOM 689 OE2 GLU A 47 -12.396 -6.638 -4.018 1.00 0.00 O ATOM 0 H GLU A 47 -11.480 -3.084 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.130 -2.517 -6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.367 -3.008 -4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.118 -3.018 -3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.226 -4.932 -5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.493 -4.872 -5.785 1.00 0.00 H new ATOM 696 N TYR A 48 -12.575 -0.149 -4.806 1.00 0.00 N ATOM 697 CA TYR A 48 -12.676 1.192 -4.232 1.00 0.00 C ATOM 698 C TYR A 48 -11.950 2.244 -5.084 1.00 0.00 C ATOM 699 O TYR A 48 -11.461 3.245 -4.552 1.00 0.00 O ATOM 700 CB TYR A 48 -12.119 1.148 -2.803 1.00 0.00 C ATOM 701 CG TYR A 48 -12.798 0.113 -1.929 1.00 0.00 C ATOM 702 CD1 TYR A 48 -14.109 0.339 -1.469 1.00 0.00 C ATOM 703 CD2 TYR A 48 -12.203 -1.148 -1.748 1.00 0.00 C ATOM 704 CE1 TYR A 48 -14.835 -0.706 -0.871 1.00 0.00 C ATOM 705 CE2 TYR A 48 -12.945 -2.202 -1.194 1.00 0.00 C ATOM 706 CZ TYR A 48 -14.264 -1.986 -0.769 1.00 0.00 C ATOM 707 OH TYR A 48 -14.992 -3.029 -0.286 1.00 0.00 O ATOM 0 H TYR A 48 -11.626 -0.524 -4.790 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.723 1.494 -4.214 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.051 0.936 -2.843 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.232 2.131 -2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.557 1.316 -1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.174 -1.305 -2.036 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.830 -0.525 -0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.500 -3.181 -1.095 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.760 -2.687 0.218 1.00 0.00 H new ATOM 717 N LYS A 49 -11.901 2.050 -6.407 1.00 0.00 N ATOM 718 CA LYS A 49 -11.198 2.973 -7.289 1.00 0.00 C ATOM 719 C LYS A 49 -11.750 4.391 -7.130 1.00 0.00 C ATOM 720 O LYS A 49 -12.894 4.594 -6.730 1.00 0.00 O ATOM 721 CB LYS A 49 -11.326 2.501 -8.744 1.00 0.00 C ATOM 722 CG LYS A 49 -10.525 3.292 -9.790 1.00 0.00 C ATOM 723 CD LYS A 49 -9.005 3.216 -9.580 1.00 0.00 C ATOM 724 CE LYS A 49 -8.266 4.033 -10.648 1.00 0.00 C ATOM 725 NZ LYS A 49 -8.514 5.482 -10.513 1.00 0.00 N ATOM 0 H LYS A 49 -12.340 1.263 -6.884 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.143 2.989 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.016 1.457 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.379 2.534 -9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.766 2.914 -10.783 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.836 4.336 -9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.751 3.591 -8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.679 2.177 -9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.196 3.841 -10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.581 3.703 -11.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.942 5.999 -11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.522 5.678 -10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.253 5.791 -9.555 1.00 0.00 H new ATOM 739 N ASP A 50 -10.905 5.370 -7.445 1.00 0.00 N ATOM 740 CA ASP A 50 -11.140 6.812 -7.404 1.00 0.00 C ATOM 741 C ASP A 50 -11.214 7.339 -5.975 1.00 0.00 C ATOM 742 O ASP A 50 -10.530 8.303 -5.645 1.00 0.00 O ATOM 743 CB ASP A 50 -12.378 7.212 -8.220 1.00 0.00 C ATOM 744 CG ASP A 50 -12.227 6.915 -9.711 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.069 6.891 -10.187 1.00 0.00 O ATOM 746 OD2 ASP A 50 -13.278 6.694 -10.349 1.00 0.00 O ATOM 0 H ASP A 50 -9.959 5.157 -7.762 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.278 7.285 -7.874 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.248 6.681 -7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.569 8.277 -8.084 1.00 0.00 H new ATOM 751 N LYS A 51 -11.991 6.696 -5.107 1.00 0.00 N ATOM 752 CA LYS A 51 -12.101 7.124 -3.723 1.00 0.00 C ATOM 753 C LYS A 51 -10.888 6.667 -2.918 1.00 0.00 C ATOM 754 O LYS A 51 -10.727 7.097 -1.780 1.00 0.00 O ATOM 755 CB LYS A 51 -13.319 6.516 -3.029 1.00 0.00 C ATOM 756 CG LYS A 51 -14.703 6.818 -3.632 1.00 0.00 C ATOM 757 CD LYS A 51 -15.122 5.972 -4.846 1.00 0.00 C ATOM 758 CE LYS A 51 -15.083 4.460 -4.574 1.00 0.00 C ATOM 759 NZ LYS A 51 -15.436 3.686 -5.777 1.00 0.00 N ATOM 0 H LYS A 51 -12.552 5.877 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.182 8.211 -3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.190 5.434 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.321 6.856 -1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.452 6.687 -2.850 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.726 7.868 -3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.131 6.254 -5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.464 6.201 -5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.086 4.176 -4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.774 4.216 -3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.566 2.686 -5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.319 4.057 -6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.673 3.767 -6.478 1.00 0.00 H new ATOM 773 N LEU A 52 -10.081 5.760 -3.468 1.00 0.00 N ATOM 774 CA LEU A 52 -8.903 5.230 -2.817 1.00 0.00 C ATOM 775 C LEU A 52 -7.916 4.835 -3.911 1.00 0.00 C ATOM 776 O LEU A 52 -8.245 4.024 -4.774 1.00 0.00 O ATOM 777 CB LEU A 52 -9.341 4.035 -1.959 1.00 0.00 C ATOM 778 CG LEU A 52 -8.211 3.189 -1.360 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.346 3.982 -0.379 1.00 0.00 C ATOM 780 CD2 LEU A 52 -8.864 2.016 -0.625 1.00 0.00 C ATOM 0 H LEU A 52 -10.239 5.371 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.416 5.952 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.962 4.406 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.970 3.386 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.554 2.855 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.561 3.338 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.894 4.829 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.965 4.345 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.091 1.388 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.516 2.397 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.451 1.427 -1.329 1.00 0.00 H new ATOM 792 N LYS A 53 -6.731 5.439 -3.916 1.00 0.00 N ATOM 793 CA LYS A 53 -5.662 5.041 -4.819 1.00 0.00 C ATOM 794 C LYS A 53 -5.000 3.823 -4.189 1.00 0.00 C ATOM 795 O LYS A 53 -5.240 3.505 -3.025 1.00 0.00 O ATOM 796 CB LYS A 53 -4.658 6.189 -5.028 1.00 0.00 C ATOM 797 CG LYS A 53 -4.669 6.728 -6.464 1.00 0.00 C ATOM 798 CD LYS A 53 -4.044 5.728 -7.452 1.00 0.00 C ATOM 799 CE LYS A 53 -3.879 6.342 -8.847 1.00 0.00 C ATOM 800 NZ LYS A 53 -5.175 6.702 -9.448 1.00 0.00 N ATOM 0 H LYS A 53 -6.488 6.213 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.050 4.799 -5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.890 7.000 -4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.655 5.839 -4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.695 6.943 -6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.121 7.669 -6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.072 5.406 -7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.671 4.839 -7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.251 7.230 -8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.362 5.635 -9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.022 7.066 -10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.784 5.860 -9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.635 7.434 -8.870 1.00 0.00 H new ATOM 814 N CYS A 54 -4.159 3.129 -4.947 1.00 0.00 N ATOM 815 CA CYS A 54 -3.441 1.980 -4.441 1.00 0.00 C ATOM 816 C CYS A 54 -2.097 1.947 -5.136 1.00 0.00 C ATOM 817 O CYS A 54 -1.987 2.403 -6.277 1.00 0.00 O ATOM 818 CB CYS A 54 -4.223 0.706 -4.706 1.00 0.00 C ATOM 819 SG CYS A 54 -3.349 -0.659 -3.925 1.00 0.00 S ATOM 0 H CYS A 54 -3.961 3.350 -5.923 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.306 2.053 -3.362 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.234 0.790 -4.306 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.318 0.534 -5.778 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.613 -0.204 -2.955 1.00 0.00 H new ATOM 825 N VAL A 55 -1.065 1.471 -4.451 1.00 0.00 N ATOM 826 CA VAL A 55 0.267 1.486 -5.004 1.00 0.00 C ATOM 827 C VAL A 55 1.092 0.418 -4.309 1.00 0.00 C ATOM 828 O VAL A 55 0.728 -0.043 -3.229 1.00 0.00 O ATOM 829 CB VAL A 55 0.914 2.880 -4.847 1.00 0.00 C ATOM 830 CG1 VAL A 55 1.479 3.321 -6.196 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.009 3.997 -4.339 1.00 0.00 C ATOM 0 H VAL A 55 -1.133 1.072 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 55 0.223 1.273 -6.072 1.00 0.00 H new ATOM 0 HB VAL A 55 1.677 2.746 -4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.938 4.305 -6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.229 2.603 -6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.674 3.370 -6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.552 4.929 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.840 4.126 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.395 3.731 -3.355 1.00 0.00 H new ATOM 841 N LYS A 56 2.200 0.031 -4.932 1.00 0.00 N ATOM 842 CA LYS A 56 3.112 -0.970 -4.417 1.00 0.00 C ATOM 843 C LYS A 56 4.527 -0.380 -4.365 1.00 0.00 C ATOM 844 O LYS A 56 5.146 -0.113 -5.397 1.00 0.00 O ATOM 845 CB LYS A 56 2.965 -2.219 -5.290 1.00 0.00 C ATOM 846 CG LYS A 56 1.966 -3.171 -4.622 1.00 0.00 C ATOM 847 CD LYS A 56 1.488 -4.306 -5.529 1.00 0.00 C ATOM 848 CE LYS A 56 0.439 -3.818 -6.537 1.00 0.00 C ATOM 849 NZ LYS A 56 -0.168 -4.940 -7.275 1.00 0.00 N ATOM 0 H LYS A 56 2.491 0.417 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 56 2.886 -1.268 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.618 -1.945 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.930 -2.710 -5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.427 -3.600 -3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.101 -2.598 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.339 -4.728 -6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.065 -5.105 -4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.339 -3.263 -6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.904 -3.128 -7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.756 -4.569 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.582 -5.543 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.759 -5.501 -6.629 1.00 0.00 H new ATOM 863 N LEU A 57 5.022 -0.156 -3.144 1.00 0.00 N ATOM 864 CA LEU A 57 6.324 0.434 -2.856 1.00 0.00 C ATOM 865 C LEU A 57 7.368 -0.672 -2.768 1.00 0.00 C ATOM 866 O LEU A 57 7.330 -1.510 -1.865 1.00 0.00 O ATOM 867 CB LEU A 57 6.212 1.275 -1.571 1.00 0.00 C ATOM 868 CG LEU A 57 7.445 1.991 -1.013 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.423 1.022 -0.344 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.114 2.862 -2.076 1.00 0.00 C ATOM 0 H LEU A 57 4.502 -0.392 -2.298 1.00 0.00 H new ATOM 0 HA LEU A 57 6.646 1.104 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.449 2.033 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.836 0.619 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 57 7.102 2.662 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.281 1.576 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.924 0.514 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.761 0.285 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.986 3.356 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.426 2.238 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.408 3.614 -2.427 1.00 0.00 H new ATOM 882 N ASN A 58 8.299 -0.701 -3.730 1.00 0.00 N ATOM 883 CA ASN A 58 9.369 -1.694 -3.713 1.00 0.00 C ATOM 884 C ASN A 58 10.342 -1.335 -2.591 1.00 0.00 C ATOM 885 O ASN A 58 11.094 -0.369 -2.683 1.00 0.00 O ATOM 886 CB ASN A 58 10.073 -1.799 -5.063 1.00 0.00 C ATOM 887 CG ASN A 58 11.107 -2.925 -5.008 1.00 0.00 C ATOM 888 OD1 ASN A 58 11.999 -2.922 -4.164 1.00 0.00 O ATOM 889 ND2 ASN A 58 10.984 -3.922 -5.874 1.00 0.00 N ATOM 0 H ASN A 58 8.330 -0.055 -4.519 1.00 0.00 H new ATOM 0 HA ASN A 58 8.944 -2.680 -3.524 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.346 -1.996 -5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.560 -0.855 -5.307 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.637 -4.705 -5.846 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.236 -3.906 -6.567 1.00 0.00 H new ATOM 896 N THR A 59 10.307 -2.134 -1.533 1.00 0.00 N ATOM 897 CA THR A 59 11.037 -1.945 -0.293 1.00 0.00 C ATOM 898 C THR A 59 12.543 -1.934 -0.523 1.00 0.00 C ATOM 899 O THR A 59 13.260 -1.113 0.038 1.00 0.00 O ATOM 900 CB THR A 59 10.629 -3.087 0.646 1.00 0.00 C ATOM 901 OG1 THR A 59 9.233 -3.015 0.864 1.00 0.00 O ATOM 902 CG2 THR A 59 11.363 -3.014 1.981 1.00 0.00 C ATOM 0 H THR A 59 9.735 -2.978 -1.520 1.00 0.00 H new ATOM 0 HA THR A 59 10.792 -0.978 0.145 1.00 0.00 H new ATOM 0 HB THR A 59 10.898 -4.034 0.178 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.765 -3.488 0.145 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.045 -3.841 2.617 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.437 -3.080 1.810 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.132 -2.069 2.472 1.00 0.00 H new ATOM 910 N ASP A 60 13.016 -2.857 -1.353 1.00 0.00 N ATOM 911 CA ASP A 60 14.428 -3.034 -1.649 1.00 0.00 C ATOM 912 C ASP A 60 14.964 -1.838 -2.445 1.00 0.00 C ATOM 913 O ASP A 60 16.106 -1.423 -2.268 1.00 0.00 O ATOM 914 CB ASP A 60 14.550 -4.361 -2.390 1.00 0.00 C ATOM 915 CG ASP A 60 15.956 -4.591 -2.920 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.839 -4.852 -2.074 1.00 0.00 O ATOM 917 OD2 ASP A 60 16.115 -4.510 -4.157 1.00 0.00 O ATOM 0 H ASP A 60 12.414 -3.515 -1.848 1.00 0.00 H new ATOM 0 HA ASP A 60 15.038 -3.069 -0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.277 -5.176 -1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.843 -4.379 -3.219 1.00 0.00 H new ATOM 922 N GLU A 61 14.109 -1.266 -3.297 1.00 0.00 N ATOM 923 CA GLU A 61 14.397 -0.072 -4.080 1.00 0.00 C ATOM 924 C GLU A 61 14.208 1.190 -3.223 1.00 0.00 C ATOM 925 O GLU A 61 14.819 2.224 -3.494 1.00 0.00 O ATOM 926 CB GLU A 61 13.441 -0.043 -5.280 1.00 0.00 C ATOM 927 CG GLU A 61 13.911 0.872 -6.416 1.00 0.00 C ATOM 928 CD GLU A 61 15.019 0.235 -7.249 1.00 0.00 C ATOM 929 OE1 GLU A 61 14.680 -0.674 -8.037 1.00 0.00 O ATOM 930 OE2 GLU A 61 16.181 0.664 -7.080 1.00 0.00 O ATOM 0 H GLU A 61 13.172 -1.635 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 61 15.431 -0.094 -4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.324 -1.056 -5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.458 0.286 -4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.066 1.111 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.269 1.813 -5.998 1.00 0.00 H new ATOM 937 N SER A 62 13.335 1.117 -2.209 1.00 0.00 N ATOM 938 CA SER A 62 12.954 2.215 -1.327 1.00 0.00 C ATOM 939 C SER A 62 13.204 1.921 0.160 1.00 0.00 C ATOM 940 O SER A 62 12.312 2.119 0.990 1.00 0.00 O ATOM 941 CB SER A 62 11.474 2.509 -1.550 1.00 0.00 C ATOM 942 OG SER A 62 11.153 2.355 -2.915 1.00 0.00 O ATOM 0 H SER A 62 12.856 0.247 -1.975 1.00 0.00 H new ATOM 0 HA SER A 62 13.578 3.073 -1.575 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.866 1.835 -0.946 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.243 3.524 -1.226 1.00 0.00 H new ATOM 0 HG SER A 62 11.800 2.849 -3.461 1.00 0.00 H new ATOM 948 N PRO A 63 14.429 1.516 0.517 1.00 0.00 N ATOM 949 CA PRO A 63 14.838 1.250 1.881 1.00 0.00 C ATOM 950 C PRO A 63 14.767 2.557 2.656 1.00 0.00 C ATOM 951 O PRO A 63 14.491 2.562 3.849 1.00 0.00 O ATOM 952 CB PRO A 63 16.269 0.718 1.791 1.00 0.00 C ATOM 953 CG PRO A 63 16.794 1.410 0.534 1.00 0.00 C ATOM 954 CD PRO A 63 15.564 1.424 -0.369 1.00 0.00 C ATOM 0 HA PRO A 63 14.205 0.525 2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.855 0.977 2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.294 -0.368 1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.155 2.417 0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.622 0.862 0.084 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.593 2.269 -1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.514 0.520 -0.976 1.00 0.00 H new ATOM 962 N ASN A 64 15.013 3.665 1.951 1.00 0.00 N ATOM 963 CA ASN A 64 14.939 5.018 2.491 1.00 0.00 C ATOM 964 C ASN A 64 13.605 5.206 3.212 1.00 0.00 C ATOM 965 O ASN A 64 13.560 5.459 4.415 1.00 0.00 O ATOM 966 CB ASN A 64 15.072 6.050 1.357 1.00 0.00 C ATOM 967 CG ASN A 64 16.427 6.029 0.655 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.342 5.315 1.051 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.559 6.796 -0.421 1.00 0.00 N ATOM 0 H ASN A 64 15.275 3.641 0.966 1.00 0.00 H new ATOM 0 HA ASN A 64 15.756 5.167 3.197 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.290 5.868 0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.901 7.046 1.764 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.437 6.800 -0.939 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.782 7.381 -0.729 1.00 0.00 H new ATOM 976 N VAL A 65 12.513 5.045 2.462 1.00 0.00 N ATOM 977 CA VAL A 65 11.159 5.208 2.961 1.00 0.00 C ATOM 978 C VAL A 65 10.934 4.259 4.131 1.00 0.00 C ATOM 979 O VAL A 65 10.555 4.682 5.221 1.00 0.00 O ATOM 980 CB VAL A 65 10.158 4.947 1.826 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.727 5.178 2.316 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.424 5.883 0.644 1.00 0.00 C ATOM 0 H VAL A 65 12.553 4.793 1.474 1.00 0.00 H new ATOM 0 HA VAL A 65 11.009 6.228 3.315 1.00 0.00 H new ATOM 0 HB VAL A 65 10.280 3.912 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.028 4.989 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.512 4.501 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.620 6.209 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.704 5.681 -0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.324 6.918 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.434 5.717 0.268 1.00 0.00 H new ATOM 992 N ALA A 66 11.172 2.971 3.886 1.00 0.00 N ATOM 993 CA ALA A 66 11.022 1.929 4.892 1.00 0.00 C ATOM 994 C ALA A 66 11.722 2.324 6.199 1.00 0.00 C ATOM 995 O ALA A 66 11.140 2.190 7.270 1.00 0.00 O ATOM 996 CB ALA A 66 11.573 0.608 4.352 1.00 0.00 C ATOM 0 H ALA A 66 11.476 2.623 2.977 1.00 0.00 H new ATOM 0 HA ALA A 66 9.962 1.803 5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.459 -0.170 5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.024 0.325 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.629 0.726 4.109 1.00 0.00 H new ATOM 1002 N SER A 67 12.951 2.839 6.118 1.00 0.00 N ATOM 1003 CA SER A 67 13.716 3.261 7.284 1.00 0.00 C ATOM 1004 C SER A 67 13.046 4.451 7.968 1.00 0.00 C ATOM 1005 O SER A 67 12.842 4.431 9.178 1.00 0.00 O ATOM 1006 CB SER A 67 15.152 3.611 6.879 1.00 0.00 C ATOM 1007 OG SER A 67 15.774 2.497 6.271 1.00 0.00 O ATOM 0 H SER A 67 13.442 2.974 5.234 1.00 0.00 H new ATOM 0 HA SER A 67 13.747 2.435 7.994 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.147 4.455 6.189 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.720 3.919 7.757 1.00 0.00 H new ATOM 0 HG SER A 67 15.370 2.336 5.393 1.00 0.00 H new ATOM 1013 N GLU A 68 12.710 5.484 7.192 1.00 0.00 N ATOM 1014 CA GLU A 68 12.075 6.690 7.714 1.00 0.00 C ATOM 1015 C GLU A 68 10.776 6.359 8.454 1.00 0.00 C ATOM 1016 O GLU A 68 10.521 6.904 9.525 1.00 0.00 O ATOM 1017 CB GLU A 68 11.797 7.672 6.566 1.00 0.00 C ATOM 1018 CG GLU A 68 13.079 8.306 6.008 1.00 0.00 C ATOM 1019 CD GLU A 68 13.743 9.242 7.012 1.00 0.00 C ATOM 1020 OE1 GLU A 68 13.170 10.330 7.238 1.00 0.00 O ATOM 1021 OE2 GLU A 68 14.811 8.854 7.533 1.00 0.00 O ATOM 0 H GLU A 68 12.872 5.505 6.185 1.00 0.00 H new ATOM 0 HA GLU A 68 12.757 7.153 8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.276 7.149 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.131 8.459 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.780 7.519 5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.843 8.859 5.099 1.00 0.00 H new ATOM 1028 N TYR A 69 9.949 5.482 7.882 1.00 0.00 N ATOM 1029 CA TYR A 69 8.674 5.111 8.483 1.00 0.00 C ATOM 1030 C TYR A 69 8.858 4.088 9.608 1.00 0.00 C ATOM 1031 O TYR A 69 8.086 4.091 10.563 1.00 0.00 O ATOM 1032 CB TYR A 69 7.728 4.598 7.392 1.00 0.00 C ATOM 1033 CG TYR A 69 6.986 5.731 6.703 1.00 0.00 C ATOM 1034 CD1 TYR A 69 5.812 6.241 7.289 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.602 6.443 5.656 1.00 0.00 C ATOM 1036 CE1 TYR A 69 5.272 7.461 6.844 1.00 0.00 C ATOM 1037 CE2 TYR A 69 7.057 7.658 5.206 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.903 8.178 5.815 1.00 0.00 C ATOM 1039 OH TYR A 69 5.397 9.382 5.429 1.00 0.00 O ATOM 0 H TYR A 69 10.145 5.014 6.997 1.00 0.00 H new ATOM 0 HA TYR A 69 8.229 5.993 8.943 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.298 4.036 6.653 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.008 3.908 7.832 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.325 5.694 8.082 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.498 6.053 5.196 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.370 7.847 7.295 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.525 8.192 4.392 1.00 0.00 H new ATOM 0 HH TYR A 69 5.947 9.752 4.707 1.00 0.00 H new ATOM 1049 N GLY A 70 9.858 3.213 9.499 1.00 0.00 N ATOM 1050 CA GLY A 70 10.168 2.204 10.503 1.00 0.00 C ATOM 1051 C GLY A 70 9.532 0.873 10.125 1.00 0.00 C ATOM 1052 O GLY A 70 8.699 0.344 10.857 1.00 0.00 O ATOM 0 H GLY A 70 10.485 3.188 8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.248 2.087 10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.802 2.526 11.478 1.00 0.00 H new ATOM 1056 N ILE A 71 9.927 0.342 8.968 1.00 0.00 N ATOM 1057 CA ILE A 71 9.423 -0.897 8.397 1.00 0.00 C ATOM 1058 C ILE A 71 10.626 -1.766 8.033 1.00 0.00 C ATOM 1059 O ILE A 71 11.706 -1.241 7.760 1.00 0.00 O ATOM 1060 CB ILE A 71 8.573 -0.575 7.151 1.00 0.00 C ATOM 1061 CG1 ILE A 71 7.527 0.514 7.467 1.00 0.00 C ATOM 1062 CG2 ILE A 71 7.877 -1.842 6.623 1.00 0.00 C ATOM 1063 CD1 ILE A 71 6.816 0.982 6.201 1.00 0.00 C ATOM 0 H ILE A 71 10.636 0.785 8.383 1.00 0.00 H new ATOM 0 HA ILE A 71 8.791 -1.431 9.106 1.00 0.00 H new ATOM 0 HB ILE A 71 9.242 -0.198 6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.795 0.124 8.175 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.015 1.362 7.947 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.283 -1.591 5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.628 -2.584 6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.226 -2.249 7.397 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.085 1.749 6.457 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.546 1.394 5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.308 0.137 5.736 1.00 0.00 H new ATOM 1075 N ARG A 72 10.443 -3.089 8.037 1.00 0.00 N ATOM 1076 CA ARG A 72 11.466 -4.053 7.660 1.00 0.00 C ATOM 1077 C ARG A 72 10.767 -5.261 7.043 1.00 0.00 C ATOM 1078 O ARG A 72 10.858 -5.486 5.839 1.00 0.00 O ATOM 1079 CB ARG A 72 12.320 -4.415 8.886 1.00 0.00 C ATOM 1080 CG ARG A 72 13.421 -5.420 8.528 1.00 0.00 C ATOM 1081 CD ARG A 72 14.294 -5.722 9.750 1.00 0.00 C ATOM 1082 NE ARG A 72 15.339 -6.703 9.429 1.00 0.00 N ATOM 1083 CZ ARG A 72 15.159 -8.030 9.338 1.00 0.00 C ATOM 1084 NH1 ARG A 72 13.951 -8.568 9.539 1.00 0.00 N ATOM 1085 NH2 ARG A 72 16.198 -8.815 9.039 1.00 0.00 N ATOM 0 H ARG A 72 9.561 -3.523 8.308 1.00 0.00 H new ATOM 0 HA ARG A 72 12.152 -3.640 6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.771 -3.511 9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.682 -4.835 9.664 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.973 -6.342 8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.038 -5.020 7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.754 -4.801 10.108 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.671 -6.102 10.560 1.00 0.00 H new ATOM 0 HE ARG A 72 16.280 -6.346 9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.157 -7.969 9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.824 -9.578 9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.119 -8.405 8.882 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.071 -9.825 8.968 1.00 0.00 H new ATOM 1099 N SER A 73 10.074 -6.046 7.870 1.00 0.00 N ATOM 1100 CA SER A 73 9.282 -7.158 7.387 1.00 0.00 C ATOM 1101 C SER A 73 8.176 -6.605 6.499 1.00 0.00 C ATOM 1102 O SER A 73 7.719 -5.480 6.701 1.00 0.00 O ATOM 1103 CB SER A 73 8.697 -7.920 8.577 1.00 0.00 C ATOM 1104 OG SER A 73 8.561 -7.049 9.689 1.00 0.00 O ATOM 0 H SER A 73 10.051 -5.924 8.882 1.00 0.00 H new ATOM 0 HA SER A 73 9.896 -7.849 6.810 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.726 -8.338 8.311 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.344 -8.758 8.837 1.00 0.00 H new ATOM 0 HG SER A 73 8.184 -7.543 10.447 1.00 0.00 H new ATOM 1110 N ILE A 74 7.748 -7.412 5.534 1.00 0.00 N ATOM 1111 CA ILE A 74 6.721 -7.068 4.576 1.00 0.00 C ATOM 1112 C ILE A 74 5.978 -8.375 4.287 1.00 0.00 C ATOM 1113 O ILE A 74 6.570 -9.441 4.474 1.00 0.00 O ATOM 1114 CB ILE A 74 7.348 -6.418 3.325 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.641 -7.114 2.867 1.00 0.00 C ATOM 1116 CG2 ILE A 74 7.628 -4.932 3.602 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.025 -6.665 1.453 1.00 0.00 C ATOM 0 H ILE A 74 8.122 -8.351 5.399 1.00 0.00 H new ATOM 0 HA ILE A 74 6.019 -6.323 4.951 1.00 0.00 H new ATOM 0 HB ILE A 74 6.627 -6.527 2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.450 -6.882 3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.505 -8.195 2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.071 -4.474 2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.694 -4.425 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.318 -4.842 4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.942 -7.169 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.223 -6.920 0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.183 -5.587 1.444 1.00 0.00 H new ATOM 1129 N PRO A 75 4.705 -8.359 3.863 1.00 0.00 N ATOM 1130 CA PRO A 75 3.880 -7.197 3.561 1.00 0.00 C ATOM 1131 C PRO A 75 3.587 -6.321 4.769 1.00 0.00 C ATOM 1132 O PRO A 75 3.578 -6.768 5.916 1.00 0.00 O ATOM 1133 CB PRO A 75 2.559 -7.748 3.025 1.00 0.00 C ATOM 1134 CG PRO A 75 2.477 -9.094 3.741 1.00 0.00 C ATOM 1135 CD PRO A 75 3.928 -9.565 3.648 1.00 0.00 C ATOM 0 HA PRO A 75 4.414 -6.564 2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.716 -7.102 3.269 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.571 -7.860 1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.142 -8.992 4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.788 -9.781 3.249 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.150 -10.322 4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.142 -10.009 2.676 1.00 0.00 H new ATOM 1143 N THR A 76 3.397 -5.046 4.471 1.00 0.00 N ATOM 1144 CA THR A 76 3.026 -3.990 5.383 1.00 0.00 C ATOM 1145 C THR A 76 2.393 -2.965 4.457 1.00 0.00 C ATOM 1146 O THR A 76 3.097 -2.295 3.703 1.00 0.00 O ATOM 1147 CB THR A 76 4.240 -3.476 6.172 1.00 0.00 C ATOM 1148 OG1 THR A 76 4.588 -4.451 7.134 1.00 0.00 O ATOM 1149 CG2 THR A 76 3.925 -2.177 6.921 1.00 0.00 C ATOM 0 H THR A 76 3.507 -4.704 3.517 1.00 0.00 H new ATOM 0 HA THR A 76 2.340 -4.292 6.174 1.00 0.00 H new ATOM 0 HB THR A 76 5.048 -3.286 5.465 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.177 -5.308 6.895 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.810 -1.848 7.466 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.631 -1.408 6.207 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.110 -2.351 7.624 1.00 0.00 H new ATOM 1157 N ILE A 77 1.063 -2.939 4.420 1.00 0.00 N ATOM 1158 CA ILE A 77 0.311 -2.040 3.571 1.00 0.00 C ATOM 1159 C ILE A 77 -0.161 -0.891 4.446 1.00 0.00 C ATOM 1160 O ILE A 77 -0.755 -1.138 5.491 1.00 0.00 O ATOM 1161 CB ILE A 77 -0.792 -2.811 2.814 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -1.571 -1.859 1.896 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -1.762 -3.543 3.748 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -2.467 -2.616 0.910 1.00 0.00 C ATOM 0 H ILE A 77 0.477 -3.551 4.988 1.00 0.00 H new ATOM 0 HA ILE A 77 0.912 -1.607 2.772 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.287 -3.572 2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.183 -1.191 2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.870 -1.235 1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.513 -4.065 3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.211 -4.264 4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.253 -2.821 4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.999 -1.903 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.853 -3.264 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.187 -3.220 1.462 1.00 0.00 H new ATOM 1176 N MET A 78 0.187 0.347 4.086 1.00 0.00 N ATOM 1177 CA MET A 78 -0.148 1.547 4.838 1.00 0.00 C ATOM 1178 C MET A 78 -1.251 2.320 4.125 1.00 0.00 C ATOM 1179 O MET A 78 -1.281 2.387 2.894 1.00 0.00 O ATOM 1180 CB MET A 78 1.079 2.451 4.977 1.00 0.00 C ATOM 1181 CG MET A 78 2.197 1.811 5.804 1.00 0.00 C ATOM 1182 SD MET A 78 3.508 2.942 6.335 1.00 0.00 S ATOM 1183 CE MET A 78 4.036 2.083 7.837 1.00 0.00 C ATOM 0 H MET A 78 0.723 0.542 3.241 1.00 0.00 H new ATOM 0 HA MET A 78 -0.489 1.244 5.828 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.460 2.693 3.985 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.781 3.391 5.442 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.755 1.352 6.688 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.646 1.009 5.219 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.936 2.557 8.230 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.243 2.135 8.583 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.247 1.039 7.604 1.00 0.00 H new ATOM 1193 N VAL A 79 -2.136 2.928 4.915 1.00 0.00 N ATOM 1194 CA VAL A 79 -3.210 3.762 4.409 1.00 0.00 C ATOM 1195 C VAL A 79 -2.718 5.195 4.471 1.00 0.00 C ATOM 1196 O VAL A 79 -2.710 5.796 5.542 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.491 3.616 5.238 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.596 4.423 4.541 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.898 2.152 5.392 1.00 0.00 C ATOM 0 H VAL A 79 -2.122 2.851 5.932 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.460 3.461 3.392 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.322 3.997 6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.522 4.338 5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.300 5.471 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.751 4.034 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.810 2.088 5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.074 1.718 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.100 1.603 5.893 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.300 5.735 3.338 1.00 0.00 N ATOM 1210 CA PHE A 80 -1.823 7.095 3.239 1.00 0.00 C ATOM 1211 C PHE A 80 -2.929 8.033 2.785 1.00 0.00 C ATOM 1212 O PHE A 80 -3.909 7.626 2.161 1.00 0.00 O ATOM 1213 CB PHE A 80 -0.647 7.139 2.267 1.00 0.00 C ATOM 1214 CG PHE A 80 0.684 6.861 2.930 1.00 0.00 C ATOM 1215 CD1 PHE A 80 1.395 7.924 3.514 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.204 5.556 2.978 1.00 0.00 C ATOM 1217 CE1 PHE A 80 2.635 7.689 4.129 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.468 5.332 3.552 1.00 0.00 C ATOM 1219 CZ PHE A 80 3.169 6.389 4.155 1.00 0.00 C ATOM 0 H PHE A 80 -2.284 5.230 2.452 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.497 7.430 4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.811 6.408 1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.612 8.120 1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.986 8.923 3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.636 4.730 2.576 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.178 8.506 4.581 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.901 4.343 3.529 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.117 6.203 4.638 1.00 0.00 H new ATOM 1229 N LYS A 81 -2.737 9.300 3.136 1.00 0.00 N ATOM 1230 CA LYS A 81 -3.514 10.446 2.705 1.00 0.00 C ATOM 1231 C LYS A 81 -2.530 11.612 2.808 1.00 0.00 C ATOM 1232 O LYS A 81 -1.326 11.369 2.762 1.00 0.00 O ATOM 1233 CB LYS A 81 -4.821 10.593 3.519 1.00 0.00 C ATOM 1234 CG LYS A 81 -4.751 11.123 4.964 1.00 0.00 C ATOM 1235 CD LYS A 81 -3.701 10.402 5.811 1.00 0.00 C ATOM 1236 CE LYS A 81 -3.669 10.875 7.270 1.00 0.00 C ATOM 1237 NZ LYS A 81 -4.951 10.663 7.966 1.00 0.00 N ATOM 0 H LYS A 81 -1.984 9.566 3.771 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.896 10.369 1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.484 11.253 2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.299 9.614 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.525 12.189 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.728 11.013 5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.899 9.330 5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.718 10.554 5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -2.879 10.344 7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.416 11.935 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.782 10.588 8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.585 11.466 7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.392 9.786 7.622 1.00 0.00 H new ATOM 1251 N GLY A 82 -3.024 12.839 2.978 1.00 0.00 N ATOM 1252 CA GLY A 82 -2.232 14.047 3.161 1.00 0.00 C ATOM 1253 C GLY A 82 -0.921 13.831 3.927 1.00 0.00 C ATOM 1254 O GLY A 82 -0.912 13.845 5.159 1.00 0.00 O ATOM 0 H GLY A 82 -4.027 13.021 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.002 14.469 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.833 14.785 3.693 1.00 0.00 H new ATOM 1258 N GLY A 83 0.188 13.651 3.206 1.00 0.00 N ATOM 1259 CA GLY A 83 1.504 13.447 3.782 1.00 0.00 C ATOM 1260 C GLY A 83 1.652 12.125 4.538 1.00 0.00 C ATOM 1261 O GLY A 83 2.286 11.189 4.059 1.00 0.00 O ATOM 0 H GLY A 83 0.188 13.644 2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.248 13.484 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.724 14.270 4.462 1.00 0.00 H new ATOM 1265 N LYS A 84 1.106 12.069 5.748 1.00 0.00 N ATOM 1266 CA LYS A 84 1.299 10.958 6.668 1.00 0.00 C ATOM 1267 C LYS A 84 0.412 9.747 6.356 1.00 0.00 C ATOM 1268 O LYS A 84 -0.503 9.800 5.530 1.00 0.00 O ATOM 1269 CB LYS A 84 1.023 11.455 8.096 1.00 0.00 C ATOM 1270 CG LYS A 84 1.941 12.622 8.485 1.00 0.00 C ATOM 1271 CD LYS A 84 1.701 13.017 9.947 1.00 0.00 C ATOM 1272 CE LYS A 84 2.606 14.189 10.341 1.00 0.00 C ATOM 1273 NZ LYS A 84 2.390 14.587 11.744 1.00 0.00 N ATOM 0 H LYS A 84 0.508 12.806 6.121 1.00 0.00 H new ATOM 0 HA LYS A 84 2.328 10.615 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.017 11.770 8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.162 10.634 8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.984 12.337 8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.753 13.476 7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.656 13.293 10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.896 12.164 10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.650 13.909 10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.410 15.038 9.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.017 15.382 11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.400 14.877 11.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.601 13.783 12.369 1.00 0.00 H new ATOM 1287 N LYS A 85 0.714 8.638 7.041 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.097 7.432 7.028 1.00 0.00 C ATOM 1289 C LYS A 85 -1.111 7.524 8.170 1.00 0.00 C ATOM 1290 O LYS A 85 -0.894 8.252 9.138 1.00 0.00 O ATOM 1291 CB LYS A 85 0.773 6.173 7.127 1.00 0.00 C ATOM 1292 CG LYS A 85 1.630 6.102 8.399 1.00 0.00 C ATOM 1293 CD LYS A 85 1.464 4.769 9.137 1.00 0.00 C ATOM 1294 CE LYS A 85 0.076 4.652 9.780 1.00 0.00 C ATOM 1295 NZ LYS A 85 -0.028 3.464 10.643 1.00 0.00 N ATOM 0 H LYS A 85 1.545 8.560 7.628 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.631 7.352 6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.129 5.295 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.428 6.128 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.679 6.242 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.357 6.920 9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.614 3.945 8.440 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.231 4.680 9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.129 5.547 10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.683 4.602 8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.980 3.420 11.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.143 2.608 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.680 3.524 11.403 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.211 6.782 8.056 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.298 6.754 9.022 1.00 0.00 C ATOM 1311 C CYS A 86 -3.309 5.419 9.761 1.00 0.00 C ATOM 1312 O CYS A 86 -3.168 5.378 10.978 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.623 6.966 8.287 1.00 0.00 C ATOM 1314 SG CYS A 86 -5.911 7.311 9.509 1.00 0.00 S ATOM 0 H CYS A 86 -2.372 6.164 7.260 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.158 7.549 9.754 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.537 7.794 7.584 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.880 6.080 7.706 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.929 6.364 10.400 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.479 4.327 9.010 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.548 2.956 9.507 1.00 0.00 C ATOM 1322 C GLU A 87 -2.640 2.066 8.651 1.00 0.00 C ATOM 1323 O GLU A 87 -2.024 2.554 7.703 1.00 0.00 O ATOM 1324 CB GLU A 87 -5.000 2.458 9.440 1.00 0.00 C ATOM 1325 CG GLU A 87 -6.038 3.416 10.042 1.00 0.00 C ATOM 1326 CD GLU A 87 -5.781 3.741 11.510 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -5.347 2.818 12.234 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -6.041 4.907 11.881 1.00 0.00 O ATOM 0 H GLU A 87 -3.576 4.380 7.996 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.212 2.918 10.543 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.258 2.274 8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.065 1.501 9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.043 4.342 9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.030 2.974 9.943 1.00 0.00 H new ATOM 1335 N THR A 88 -2.552 0.767 8.963 1.00 0.00 N ATOM 1336 CA THR A 88 -1.735 -0.177 8.209 1.00 0.00 C ATOM 1337 C THR A 88 -2.205 -1.614 8.480 1.00 0.00 C ATOM 1338 O THR A 88 -2.961 -1.830 9.427 1.00 0.00 O ATOM 1339 CB THR A 88 -0.250 0.042 8.569 1.00 0.00 C ATOM 1340 OG1 THR A 88 0.590 -0.828 7.842 1.00 0.00 O ATOM 1341 CG2 THR A 88 0.022 -0.178 10.061 1.00 0.00 C ATOM 0 H THR A 88 -3.048 0.345 9.748 1.00 0.00 H new ATOM 0 HA THR A 88 -1.846 -0.008 7.138 1.00 0.00 H new ATOM 0 HB THR A 88 -0.033 1.078 8.310 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.170 -1.048 6.985 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.080 -0.013 10.266 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.575 0.521 10.647 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.245 -1.199 10.333 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.808 -2.580 7.644 1.00 0.00 N ATOM 1350 CA ILE A 89 -2.096 -4.005 7.795 1.00 0.00 C ATOM 1351 C ILE A 89 -0.801 -4.740 7.463 1.00 0.00 C ATOM 1352 O ILE A 89 -0.039 -4.264 6.624 1.00 0.00 O ATOM 1353 CB ILE A 89 -3.247 -4.478 6.874 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -4.378 -3.441 6.748 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -3.806 -5.806 7.412 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -5.414 -3.815 5.682 1.00 0.00 C ATOM 0 H ILE A 89 -1.255 -2.379 6.811 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.431 -4.213 8.811 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.836 -4.612 5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.877 -3.336 7.711 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.948 -2.470 6.504 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.618 -6.146 6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.015 -6.555 7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.183 -5.659 8.424 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.186 -3.047 5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.925 -3.892 4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.869 -4.772 5.937 1.00 0.00 H new ATOM 1368 N ILE A 90 -0.543 -5.871 8.123 1.00 0.00 N ATOM 1369 CA ILE A 90 0.690 -6.637 8.027 1.00 0.00 C ATOM 1370 C ILE A 90 0.334 -8.115 7.908 1.00 0.00 C ATOM 1371 O ILE A 90 -0.698 -8.543 8.424 1.00 0.00 O ATOM 1372 CB ILE A 90 1.521 -6.362 9.304 1.00 0.00 C ATOM 1373 CG1 ILE A 90 1.660 -4.850 9.588 1.00 0.00 C ATOM 1374 CG2 ILE A 90 2.927 -6.971 9.212 1.00 0.00 C ATOM 1375 CD1 ILE A 90 0.639 -4.330 10.607 1.00 0.00 C ATOM 0 H ILE A 90 -1.218 -6.290 8.763 1.00 0.00 H new ATOM 0 HA ILE A 90 1.275 -6.352 7.153 1.00 0.00 H new ATOM 0 HB ILE A 90 0.974 -6.833 10.121 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.666 -4.647 9.955 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.544 -4.299 8.654 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.477 -6.755 10.128 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.848 -8.050 9.081 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.455 -6.540 8.361 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.791 -3.262 10.761 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.370 -4.503 10.232 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.769 -4.855 11.553 1.00 0.00 H new ATOM 1387 N GLY A 91 1.198 -8.883 7.241 1.00 0.00 N ATOM 1388 CA GLY A 91 1.010 -10.310 7.035 1.00 0.00 C ATOM 1389 C GLY A 91 0.076 -10.585 5.857 1.00 0.00 C ATOM 1390 O GLY A 91 -0.779 -9.770 5.512 1.00 0.00 O ATOM 0 H GLY A 91 2.057 -8.521 6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.975 -10.783 6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.599 -10.759 7.939 1.00 0.00 H new ATOM 1394 N ALA A 92 0.247 -11.746 5.217 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.556 -12.140 4.069 1.00 0.00 C ATOM 1396 C ALA A 92 -1.946 -12.597 4.511 1.00 0.00 C ATOM 1397 O ALA A 92 -2.284 -13.773 4.389 1.00 0.00 O ATOM 1398 CB ALA A 92 0.164 -13.250 3.299 1.00 0.00 C ATOM 0 H ALA A 92 0.949 -12.436 5.485 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.685 -11.280 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.437 -13.545 2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.133 -12.886 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.310 -14.110 3.952 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.762 -11.672 5.017 1.00 0.00 N ATOM 1405 CA VAL A 93 -4.121 -12.006 5.418 1.00 0.00 C ATOM 1406 C VAL A 93 -4.973 -12.067 4.137 1.00 0.00 C ATOM 1407 O VAL A 93 -4.708 -11.304 3.207 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.659 -10.989 6.442 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.757 -10.941 7.682 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -4.824 -9.573 5.878 1.00 0.00 C ATOM 0 H VAL A 93 -2.505 -10.695 5.157 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.156 -12.972 5.921 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.654 -11.342 6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.154 -10.217 8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.725 -11.926 8.147 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.750 -10.646 7.388 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.207 -8.913 6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.858 -9.204 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.525 -9.593 5.043 1.00 0.00 H new ATOM 1420 N PRO A 94 -5.963 -12.972 4.034 1.00 0.00 N ATOM 1421 CA PRO A 94 -6.779 -13.110 2.834 1.00 0.00 C ATOM 1422 C PRO A 94 -7.432 -11.803 2.374 1.00 0.00 C ATOM 1423 O PRO A 94 -7.703 -10.912 3.182 1.00 0.00 O ATOM 1424 CB PRO A 94 -7.852 -14.144 3.176 1.00 0.00 C ATOM 1425 CG PRO A 94 -7.182 -15.006 4.245 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.291 -14.016 4.996 1.00 0.00 C ATOM 0 HA PRO A 94 -6.145 -13.413 2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.760 -13.672 3.551 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.135 -14.733 2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.915 -15.467 4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.600 -15.814 3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.808 -13.602 5.862 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.390 -14.504 5.367 1.00 0.00 H new ATOM 1434 N LYS A 95 -7.749 -11.732 1.077 1.00 0.00 N ATOM 1435 CA LYS A 95 -8.380 -10.576 0.453 1.00 0.00 C ATOM 1436 C LYS A 95 -9.595 -10.113 1.246 1.00 0.00 C ATOM 1437 O LYS A 95 -9.789 -8.927 1.471 1.00 0.00 O ATOM 1438 CB LYS A 95 -8.778 -10.903 -0.993 1.00 0.00 C ATOM 1439 CG LYS A 95 -9.789 -12.043 -1.200 1.00 0.00 C ATOM 1440 CD LYS A 95 -10.060 -12.294 -2.693 1.00 0.00 C ATOM 1441 CE LYS A 95 -10.618 -11.075 -3.447 1.00 0.00 C ATOM 1442 NZ LYS A 95 -11.857 -10.554 -2.843 1.00 0.00 N ATOM 0 H LYS A 95 -7.569 -12.494 0.423 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.656 -9.761 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.190 -10.000 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.872 -11.150 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.409 -12.955 -0.740 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.724 -11.797 -0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.132 -12.609 -3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.765 -13.120 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.866 -10.286 -3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.812 -11.351 -4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.200 -9.745 -3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.581 -11.301 -2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.666 -10.248 -1.868 1.00 0.00 H new ATOM 1456 N ALA A 96 -10.408 -11.072 1.676 1.00 0.00 N ATOM 1457 CA ALA A 96 -11.613 -10.834 2.463 1.00 0.00 C ATOM 1458 C ALA A 96 -11.294 -9.977 3.693 1.00 0.00 C ATOM 1459 O ALA A 96 -11.986 -8.998 3.984 1.00 0.00 O ATOM 1460 CB ALA A 96 -12.220 -12.176 2.879 1.00 0.00 C ATOM 0 H ALA A 96 -10.244 -12.060 1.482 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.336 -10.289 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.121 -12.001 3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -12.474 -12.752 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.498 -12.732 3.477 1.00 0.00 H new ATOM 1466 N THR A 97 -10.259 -10.360 4.441 1.00 0.00 N ATOM 1467 CA THR A 97 -9.817 -9.629 5.615 1.00 0.00 C ATOM 1468 C THR A 97 -9.329 -8.248 5.183 1.00 0.00 C ATOM 1469 O THR A 97 -9.692 -7.253 5.810 1.00 0.00 O ATOM 1470 CB THR A 97 -8.708 -10.413 6.344 1.00 0.00 C ATOM 1471 OG1 THR A 97 -8.428 -11.628 5.679 1.00 0.00 O ATOM 1472 CG2 THR A 97 -9.138 -10.751 7.771 1.00 0.00 C ATOM 0 H THR A 97 -9.704 -11.193 4.243 1.00 0.00 H new ATOM 0 HA THR A 97 -10.646 -9.507 6.313 1.00 0.00 H new ATOM 0 HB THR A 97 -7.821 -9.780 6.355 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.950 -11.441 4.844 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.342 -11.304 8.269 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.338 -9.830 8.319 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.042 -11.360 7.744 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.518 -8.183 4.117 1.00 0.00 N ATOM 1481 CA ILE A 98 -8.005 -6.911 3.621 1.00 0.00 C ATOM 1482 C ILE A 98 -9.183 -5.973 3.340 1.00 0.00 C ATOM 1483 O ILE A 98 -9.214 -4.880 3.888 1.00 0.00 O ATOM 1484 CB ILE A 98 -7.102 -7.097 2.381 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.879 -7.953 2.746 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.632 -5.728 1.860 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.932 -8.207 1.571 1.00 0.00 C ATOM 0 H ILE A 98 -8.208 -8.998 3.587 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.371 -6.461 4.385 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.676 -7.600 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.327 -7.459 3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -6.221 -8.910 3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.996 -5.870 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.498 -5.127 1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.068 -5.216 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.093 -8.818 1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.468 -8.729 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.560 -7.255 1.192 1.00 0.00 H new ATOM 1499 N VAL A 99 -10.157 -6.392 2.527 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.339 -5.607 2.181 1.00 0.00 C ATOM 1501 C VAL A 99 -12.002 -5.065 3.448 1.00 0.00 C ATOM 1502 O VAL A 99 -12.155 -3.854 3.595 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.318 -6.472 1.361 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.694 -5.807 1.227 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -11.775 -6.701 -0.053 1.00 0.00 C ATOM 0 H VAL A 99 -10.142 -7.310 2.082 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.042 -4.755 1.570 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.421 -7.416 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.353 -6.449 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -14.122 -5.653 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.586 -4.845 0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.478 -7.313 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.646 -5.741 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.814 -7.212 0.005 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.383 -5.955 4.369 1.00 0.00 N ATOM 1516 CA GLN A 100 -13.045 -5.550 5.604 1.00 0.00 C ATOM 1517 C GLN A 100 -12.213 -4.510 6.358 1.00 0.00 C ATOM 1518 O GLN A 100 -12.735 -3.485 6.791 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.286 -6.788 6.472 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.433 -7.619 5.889 1.00 0.00 C ATOM 1521 CD GLN A 100 -14.508 -8.987 6.551 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -15.354 -9.240 7.401 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -13.609 -9.882 6.160 1.00 0.00 N ATOM 0 H GLN A 100 -12.242 -6.961 4.279 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.002 -5.087 5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.379 -7.390 6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.526 -6.487 7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.376 -7.091 6.029 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.291 -7.738 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.920 -9.636 5.450 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.608 -10.816 6.570 1.00 0.00 H new ATOM 1532 N THR A 101 -10.916 -4.769 6.507 1.00 0.00 N ATOM 1533 CA THR A 101 -10.015 -3.872 7.218 1.00 0.00 C ATOM 1534 C THR A 101 -9.899 -2.522 6.490 1.00 0.00 C ATOM 1535 O THR A 101 -9.899 -1.467 7.124 1.00 0.00 O ATOM 1536 CB THR A 101 -8.658 -4.565 7.395 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.843 -5.831 7.993 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.741 -3.755 8.309 1.00 0.00 C ATOM 0 H THR A 101 -10.463 -5.605 6.138 1.00 0.00 H new ATOM 0 HA THR A 101 -10.414 -3.650 8.208 1.00 0.00 H new ATOM 0 HB THR A 101 -8.206 -4.658 6.408 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.080 -6.487 7.304 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.787 -4.270 8.416 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.574 -2.769 7.876 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.207 -3.647 9.288 1.00 0.00 H new ATOM 1546 N VAL A 102 -9.813 -2.536 5.158 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.749 -1.325 4.356 1.00 0.00 C ATOM 1548 C VAL A 102 -11.015 -0.518 4.610 1.00 0.00 C ATOM 1549 O VAL A 102 -10.935 0.659 4.938 1.00 0.00 O ATOM 1550 CB VAL A 102 -9.554 -1.671 2.867 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.837 -0.475 1.946 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.107 -2.118 2.627 1.00 0.00 C ATOM 0 H VAL A 102 -9.786 -3.395 4.608 1.00 0.00 H new ATOM 0 HA VAL A 102 -8.889 -0.719 4.641 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.261 -2.466 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.685 -0.771 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.867 -0.146 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.160 0.343 2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.972 -2.362 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.427 -1.312 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.893 -2.998 3.234 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.180 -1.151 4.494 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.450 -0.489 4.727 1.00 0.00 C ATOM 1564 C GLU A 103 -13.485 0.099 6.139 1.00 0.00 C ATOM 1565 O GLU A 103 -13.768 1.278 6.310 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.588 -1.482 4.484 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.711 -1.821 2.991 1.00 0.00 C ATOM 1568 CD GLU A 103 -15.788 -2.869 2.732 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -15.776 -3.894 3.448 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -16.599 -2.632 1.808 1.00 0.00 O ATOM 0 H GLU A 103 -12.265 -2.134 4.236 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.575 0.341 4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.409 -2.393 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.527 -1.061 4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.944 -0.915 2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.753 -2.186 2.622 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.158 -0.711 7.147 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.075 -0.279 8.539 1.00 0.00 C ATOM 1579 C LYS A 104 -12.259 1.016 8.638 1.00 0.00 C ATOM 1580 O LYS A 104 -12.680 1.971 9.286 1.00 0.00 O ATOM 1581 CB LYS A 104 -12.434 -1.408 9.363 1.00 0.00 C ATOM 1582 CG LYS A 104 -12.037 -1.028 10.798 1.00 0.00 C ATOM 1583 CD LYS A 104 -10.941 -1.970 11.318 1.00 0.00 C ATOM 1584 CE LYS A 104 -11.375 -3.440 11.394 1.00 0.00 C ATOM 1585 NZ LYS A 104 -12.540 -3.625 12.277 1.00 0.00 N ATOM 0 H LYS A 104 -12.941 -1.699 7.015 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.070 -0.072 8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.131 -2.245 9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.545 -1.759 8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.682 0.002 10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.909 -1.080 11.449 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.069 -1.891 10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.631 -1.640 12.310 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.617 -3.799 10.394 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.544 -4.045 11.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.728 -4.641 12.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.343 -3.199 13.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.372 -3.166 11.855 1.00 0.00 H new ATOM 1599 N TYR A 105 -11.072 1.032 8.029 1.00 0.00 N ATOM 1600 CA TYR A 105 -10.193 2.192 8.053 1.00 0.00 C ATOM 1601 C TYR A 105 -10.655 3.316 7.118 1.00 0.00 C ATOM 1602 O TYR A 105 -10.229 4.456 7.295 1.00 0.00 O ATOM 1603 CB TYR A 105 -8.793 1.766 7.590 1.00 0.00 C ATOM 1604 CG TYR A 105 -8.059 0.686 8.368 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -8.326 0.436 9.729 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -6.949 0.070 7.760 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -7.467 -0.393 10.475 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -6.046 -0.682 8.527 1.00 0.00 C ATOM 1609 CZ TYR A 105 -6.315 -0.935 9.881 1.00 0.00 C ATOM 1610 OH TYR A 105 -5.434 -1.649 10.637 1.00 0.00 O ATOM 0 H TYR A 105 -10.697 0.240 7.507 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.201 2.568 9.076 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.876 1.429 6.557 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -8.163 2.655 7.586 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.190 0.881 10.200 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -6.791 0.177 6.697 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.694 -0.613 11.508 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.144 -1.066 8.075 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.565 -1.680 10.185 1.00 0.00 H new ATOM 1620 N LEU A 106 -11.457 3.004 6.097 1.00 0.00 N ATOM 1621 CA LEU A 106 -11.738 3.908 4.996 1.00 0.00 C ATOM 1622 C LEU A 106 -13.104 3.601 4.373 1.00 0.00 C ATOM 1623 O LEU A 106 -13.200 2.897 3.368 1.00 0.00 O ATOM 1624 CB LEU A 106 -10.578 3.713 3.997 1.00 0.00 C ATOM 1625 CG LEU A 106 -10.264 4.863 3.037 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -11.355 5.067 1.981 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -9.957 6.176 3.768 1.00 0.00 C ATOM 0 H LEU A 106 -11.931 2.105 6.017 1.00 0.00 H new ATOM 0 HA LEU A 106 -11.797 4.947 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.675 3.498 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.795 2.828 3.400 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.357 4.562 2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.079 5.895 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.463 4.158 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.301 5.293 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.742 6.957 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.818 6.468 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.092 6.037 4.417 1.00 0.00 H new ATOM 1639 N ASN A 107 -14.166 4.144 4.966 1.00 0.00 N ATOM 1640 CA ASN A 107 -15.547 4.050 4.524 1.00 0.00 C ATOM 1641 C ASN A 107 -16.288 5.114 5.338 1.00 0.00 C ATOM 1642 O ASN A 107 -15.638 5.650 6.266 1.00 0.00 O ATOM 1643 CB ASN A 107 -16.107 2.638 4.771 1.00 0.00 C ATOM 1644 CG ASN A 107 -17.348 2.290 3.948 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -17.420 1.209 3.370 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -18.343 3.164 3.877 1.00 0.00 N ATOM 1647 OXT ASN A 107 -17.469 5.375 5.025 1.00 0.00 O ATOM 0 H ASN A 107 -14.074 4.694 5.820 1.00 0.00 H new ATOM 0 HA ASN A 107 -15.657 4.220 3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -15.327 1.909 4.553 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -16.349 2.538 5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -19.180 2.941 3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -18.271 4.059 4.362 1.00 0.00 H new TER 1654 ASN A 107